----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:31:19]------------------------- 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: [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.724743100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.996996710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.240771779999999 Atomic positions (fractional): *1 O 0.51777450620551 0.51245402515252 0.31596894269054 15.999 2 O 0.01777450620551 0.98754597484748 0.18403105730946 15.999 3 O 0.48222549379449 0.01245402515252 0.68403105730946 15.999 4 O 0.98222549379449 0.48754597484748 0.81596894269054 15.999 5 O 0.48222549379449 0.48754597484748 0.68403105730946 15.999 6 O 0.98222549379449 0.01245402515252 0.81596894269054 15.999 7 O 0.51777450620551 0.98754597484748 0.31596894269054 15.999 8 O 0.01777450620551 0.51245402515252 0.18403105730946 15.999 *9 O 0.83683635667792 0.25000000000000 0.58482738317447 15.999 10 O 0.33683635667792 0.25000000000000 0.91517261682553 15.999 11 O 0.16316364332208 0.75000000000000 0.41517261682553 15.999 12 O 0.66316364332208 0.75000000000000 0.08482738317447 15.999 *13 O 0.86648159194524 0.25000000000000 0.98285045585382 15.999 14 O 0.36648159194524 0.25000000000000 0.51714954414618 15.999 15 O 0.13351840805476 0.75000000000000 0.01714954414619 15.999 16 O 0.63351840805476 0.75000000000000 0.48285045585381 15.999 *17 Cs 0.47577898739083 0.25000000000000 0.12913695409494 132.905 18 Cs 0.97577898739083 0.25000000000000 0.37086304590506 132.905 19 Cs 0.52422101260917 0.75000000000000 0.87086304590506 132.905 20 Cs 0.02422101260917 0.75000000000000 0.62913695409494 132.905 *21 Re 0.45819803034050 0.75000000000000 0.38266896571964 186.207 22 Re 0.95819803034050 0.75000000000000 0.11733103428036 186.207 23 Re 0.54180196965950 0.25000000000000 0.61733103428036 186.207 24 Re 0.04180196965950 0.25000000000000 0.88266896571964 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.724743100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.996996710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.240771779999999 Atomic positions (fractional): *1 O 0.51777450620551 0.51245402515252 0.31596894269054 15.999 > 1 2 O 0.01777450620551 0.98754597484748 0.18403105730946 15.999 > 2 3 O 0.48222549379449 0.01245402515252 0.68403105730946 15.999 > 3 4 O 0.98222549379449 0.48754597484748 0.81596894269054 15.999 > 4 5 O 0.48222549379449 0.48754597484748 0.68403105730946 15.999 > 5 6 O 0.98222549379449 0.01245402515252 0.81596894269054 15.999 > 6 7 O 0.51777450620551 0.98754597484748 0.31596894269054 15.999 > 7 8 O 0.01777450620551 0.51245402515252 0.18403105730946 15.999 > 8 *9 O 0.83683635667792 0.25000000000000 0.58482738317447 15.999 > 9 10 O 0.33683635667792 0.25000000000000 0.91517261682553 15.999 > 10 11 O 0.16316364332208 0.75000000000000 0.41517261682553 15.999 > 11 12 O 0.66316364332208 0.75000000000000 0.08482738317447 15.999 > 12 *13 O 0.86648159194524 0.25000000000000 0.98285045585382 15.999 > 13 14 O 0.36648159194524 0.25000000000000 0.51714954414618 15.999 > 14 15 O 0.13351840805476 0.75000000000000 0.01714954414619 15.999 > 15 16 O 0.63351840805476 0.75000000000000 0.48285045585381 15.999 > 16 *17 Cs 0.47577898739083 0.25000000000000 0.12913695409494 132.905 > 17 18 Cs 0.97577898739083 0.25000000000000 0.37086304590506 132.905 > 18 19 Cs 0.52422101260917 0.75000000000000 0.87086304590506 132.905 > 19 20 Cs 0.02422101260917 0.75000000000000 0.62913695409494 132.905 > 20 *21 Re 0.45819803034050 0.75000000000000 0.38266896571964 186.207 > 21 22 Re 0.95819803034050 0.75000000000000 0.11733103428036 186.207 > 22 23 Re 0.54180196965950 0.25000000000000 0.61733103428036 186.207 > 23 24 Re 0.04180196965950 0.25000000000000 0.88266896571964 186.207 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.174229300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.993993420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.240771779999999 Atomic positions (fractional): *1 O 0.17259150206850 0.25622701257626 0.31596894269054 15.999 > 1 2 O 0.50592483540184 0.25622701257626 0.31596894269054 15.999 > 1 3 O 0.83925816873517 0.25622701257626 0.31596894269054 15.999 > 1 4 O 0.17259150206850 0.75622701257626 0.31596894269054 15.999 > 1 5 O 0.50592483540184 0.75622701257626 0.31596894269054 15.999 > 1 6 O 0.83925816873517 0.75622701257626 0.31596894269054 15.999 > 1 7 O 0.00592483540184 0.49377298742374 0.18403105730946 15.999 > 2 8 O 0.33925816873517 0.49377298742374 0.18403105730946 15.999 > 2 9 O 0.67259150206850 0.49377298742374 0.18403105730946 15.999 > 2 10 O 0.00592483540184 0.99377298742374 0.18403105730946 15.999 > 2 11 O 0.33925816873517 0.99377298742374 0.18403105730946 15.999 > 2 12 O 0.67259150206850 0.99377298742374 0.18403105730946 15.999 > 2 13 O 0.16074183126483 0.00622701257626 0.68403105730946 15.999 > 3 14 O 0.49407516459816 0.00622701257626 0.68403105730946 15.999 > 3 15 O 0.82740849793150 0.00622701257626 0.68403105730946 15.999 > 3 16 O 0.16074183126483 0.50622701257626 0.68403105730946 15.999 > 3 17 O 0.49407516459816 0.50622701257626 0.68403105730946 15.999 > 3 18 O 0.82740849793150 0.50622701257626 0.68403105730946 15.999 > 3 19 O 0.32740849793150 0.24377298742374 0.81596894269054 15.999 > 4 20 O 0.66074183126483 0.24377298742374 0.81596894269054 15.999 > 4 21 O 0.99407516459816 0.24377298742374 0.81596894269054 15.999 > 4 22 O 0.32740849793150 0.74377298742374 0.81596894269054 15.999 > 4 23 O 0.66074183126483 0.74377298742374 0.81596894269054 15.999 > 4 24 O 0.99407516459816 0.74377298742374 0.81596894269054 15.999 > 4 25 O 0.16074183126483 0.24377298742374 0.68403105730946 15.999 > 5 26 O 0.49407516459816 0.24377298742374 0.68403105730946 15.999 > 5 27 O 0.82740849793150 0.24377298742374 0.68403105730946 15.999 > 5 28 O 0.16074183126483 0.74377298742374 0.68403105730946 15.999 > 5 29 O 0.49407516459816 0.74377298742374 0.68403105730946 15.999 > 5 30 O 0.82740849793150 0.74377298742374 0.68403105730946 15.999 > 5 31 O 0.32740849793150 0.00622701257626 0.81596894269054 15.999 > 6 32 O 0.66074183126483 0.00622701257626 0.81596894269054 15.999 > 6 33 O 0.99407516459816 0.00622701257626 0.81596894269054 15.999 > 6 34 O 0.32740849793150 0.50622701257626 0.81596894269054 15.999 > 6 35 O 0.66074183126483 0.50622701257626 0.81596894269054 15.999 > 6 36 O 0.99407516459816 0.50622701257626 0.81596894269054 15.999 > 6 37 O 0.17259150206850 0.49377298742374 0.31596894269054 15.999 > 7 38 O 0.50592483540184 0.49377298742374 0.31596894269054 15.999 > 7 39 O 0.83925816873517 0.49377298742374 0.31596894269054 15.999 > 7 40 O 0.17259150206850 0.99377298742374 0.31596894269054 15.999 > 7 41 O 0.50592483540184 0.99377298742374 0.31596894269054 15.999 > 7 42 O 0.83925816873517 0.99377298742374 0.31596894269054 15.999 > 7 43 O 0.00592483540184 0.25622701257626 0.18403105730946 15.999 > 8 44 O 0.33925816873517 0.25622701257626 0.18403105730946 15.999 > 8 45 O 0.67259150206850 0.25622701257626 0.18403105730946 15.999 > 8 46 O 0.00592483540184 0.75622701257626 0.18403105730946 15.999 > 8 47 O 0.33925816873517 0.75622701257626 0.18403105730946 15.999 > 8 48 O 0.67259150206850 0.75622701257626 0.18403105730946 15.999 > 8 *49 O 0.27894545222597 0.12500000000000 0.58482738317447 15.999 > 9 50 O 0.61227878555931 0.12500000000000 0.58482738317447 15.999 > 9 51 O 0.94561211889264 0.12500000000000 0.58482738317447 15.999 > 9 52 O 0.27894545222597 0.62500000000000 0.58482738317447 15.999 > 9 53 O 0.61227878555931 0.62500000000000 0.58482738317447 15.999 > 9 54 O 0.94561211889264 0.62500000000000 0.58482738317447 15.999 > 9 55 O 0.11227878555930 0.12500000000000 0.91517261682553 15.999 > 10 56 O 0.44561211889264 0.12500000000000 0.91517261682553 15.999 > 10 57 O 0.77894545222597 0.12500000000000 0.91517261682553 15.999 > 10 58 O 0.11227878555930 0.62500000000000 0.91517261682553 15.999 > 10 59 O 0.44561211889264 0.62500000000000 0.91517261682553 15.999 > 10 60 O 0.77894545222597 0.62500000000000 0.91517261682553 15.999 > 10 61 O 0.05438788110736 0.37500000000000 0.41517261682553 15.999 > 11 62 O 0.38772121444069 0.37500000000000 0.41517261682553 15.999 > 11 63 O 0.72105454777403 0.37500000000000 0.41517261682553 15.999 > 11 64 O 0.05438788110736 0.87500000000000 0.41517261682553 15.999 > 11 65 O 0.38772121444069 0.87500000000000 0.41517261682553 15.999 > 11 66 O 0.72105454777403 0.87500000000000 0.41517261682553 15.999 > 11 67 O 0.22105454777403 0.37500000000000 0.08482738317447 15.999 > 12 68 O 0.55438788110736 0.37500000000000 0.08482738317447 15.999 > 12 69 O 0.88772121444069 0.37500000000000 0.08482738317447 15.999 > 12 70 O 0.22105454777403 0.87500000000000 0.08482738317447 15.999 > 12 71 O 0.55438788110736 0.87500000000000 0.08482738317447 15.999 > 12 72 O 0.88772121444069 0.87500000000000 0.08482738317447 15.999 > 12 *73 O 0.28882719731508 0.12500000000000 0.98285045585382 15.999 > 13 74 O 0.62216053064841 0.12500000000000 0.98285045585382 15.999 > 13 75 O 0.95549386398175 0.12500000000000 0.98285045585382 15.999 > 13 76 O 0.28882719731508 0.62500000000000 0.98285045585382 15.999 > 13 77 O 0.62216053064841 0.62500000000000 0.98285045585382 15.999 > 13 78 O 0.95549386398175 0.62500000000000 0.98285045585382 15.999 > 13 79 O 0.12216053064841 0.12500000000000 0.51714954414618 15.999 > 14 80 O 0.45549386398175 0.12500000000000 0.51714954414618 15.999 > 14 81 O 0.78882719731508 0.12500000000000 0.51714954414618 15.999 > 14 82 O 0.12216053064841 0.62500000000000 0.51714954414618 15.999 > 14 83 O 0.45549386398175 0.62500000000000 0.51714954414618 15.999 > 14 84 O 0.78882719731508 0.62500000000000 0.51714954414618 15.999 > 14 85 O 0.04450613601825 0.37500000000000 0.01714954414619 15.999 > 15 86 O 0.37783946935159 0.37500000000000 0.01714954414619 15.999 > 15 87 O 0.71117280268492 0.37500000000000 0.01714954414619 15.999 > 15 88 O 0.04450613601825 0.87500000000000 0.01714954414619 15.999 > 15 89 O 0.37783946935159 0.87500000000000 0.01714954414619 15.999 > 15 90 O 0.71117280268492 0.87500000000000 0.01714954414619 15.999 > 15 91 O 0.21117280268492 0.37500000000000 0.48285045585381 15.999 > 16 92 O 0.54450613601825 0.37500000000000 0.48285045585381 15.999 > 16 93 O 0.87783946935159 0.37500000000000 0.48285045585381 15.999 > 16 94 O 0.21117280268492 0.87500000000000 0.48285045585381 15.999 > 16 95 O 0.54450613601825 0.87500000000000 0.48285045585381 15.999 > 16 96 O 0.87783946935159 0.87500000000000 0.48285045585381 15.999 > 16 *97 Cs 0.15859299579694 0.12500000000000 0.12913695409494 132.905 > 17 98 Cs 0.49192632913028 0.12500000000000 0.12913695409494 132.905 > 17 99 Cs 0.82525966246361 0.12500000000000 0.12913695409494 132.905 > 17 100 Cs 0.15859299579694 0.62500000000000 0.12913695409494 132.905 > 17 101 Cs 0.49192632913028 0.62500000000000 0.12913695409494 132.905 > 17 102 Cs 0.82525966246361 0.62500000000000 0.12913695409494 132.905 > 17 103 Cs 0.32525966246361 0.12500000000000 0.37086304590506 132.905 > 18 104 Cs 0.65859299579694 0.12500000000000 0.37086304590506 132.905 > 18 105 Cs 0.99192632913028 0.12500000000000 0.37086304590506 132.905 > 18 106 Cs 0.32525966246361 0.62500000000000 0.37086304590506 132.905 > 18 107 Cs 0.65859299579694 0.62500000000000 0.37086304590506 132.905 > 18 108 Cs 0.99192632913028 0.62500000000000 0.37086304590506 132.905 > 18 109 Cs 0.17474033753639 0.37500000000000 0.87086304590506 132.905 > 19 110 Cs 0.50807367086972 0.37500000000000 0.87086304590506 132.905 > 19 111 Cs 0.84140700420306 0.37500000000000 0.87086304590506 132.905 > 19 112 Cs 0.17474033753639 0.87500000000000 0.87086304590506 132.905 > 19 113 Cs 0.50807367086972 0.87500000000000 0.87086304590506 132.905 > 19 114 Cs 0.84140700420306 0.87500000000000 0.87086304590506 132.905 > 19 115 Cs 0.00807367086972 0.37500000000000 0.62913695409494 132.905 > 20 116 Cs 0.34140700420306 0.37500000000000 0.62913695409494 132.905 > 20 117 Cs 0.67474033753639 0.37500000000000 0.62913695409494 132.905 > 20 118 Cs 0.00807367086972 0.87500000000000 0.62913695409494 132.905 > 20 119 Cs 0.34140700420306 0.87500000000000 0.62913695409494 132.905 > 20 120 Cs 0.67474033753639 0.87500000000000 0.62913695409494 132.905 > 20 *121 Re 0.15273267678017 0.37500000000000 0.38266896571964 186.207 > 21 122 Re 0.48606601011350 0.37500000000000 0.38266896571964 186.207 > 21 123 Re 0.81939934344683 0.37500000000000 0.38266896571964 186.207 > 21 124 Re 0.15273267678017 0.87500000000000 0.38266896571964 186.207 > 21 125 Re 0.48606601011350 0.87500000000000 0.38266896571964 186.207 > 21 126 Re 0.81939934344683 0.87500000000000 0.38266896571964 186.207 > 21 127 Re 0.31939934344683 0.37500000000000 0.11733103428036 186.207 > 22 128 Re 0.65273267678017 0.37500000000000 0.11733103428036 186.207 > 22 129 Re 0.98606601011350 0.37500000000000 0.11733103428036 186.207 > 22 130 Re 0.31939934344683 0.87500000000000 0.11733103428036 186.207 > 22 131 Re 0.65273267678017 0.87500000000000 0.11733103428036 186.207 > 22 132 Re 0.98606601011350 0.87500000000000 0.11733103428036 186.207 > 22 133 Re 0.18060065655317 0.12500000000000 0.61733103428036 186.207 > 23 134 Re 0.51393398988650 0.12500000000000 0.61733103428036 186.207 > 23 135 Re 0.84726732321983 0.12500000000000 0.61733103428036 186.207 > 23 136 Re 0.18060065655317 0.62500000000000 0.61733103428036 186.207 > 23 137 Re 0.51393398988650 0.62500000000000 0.61733103428036 186.207 > 23 138 Re 0.84726732321983 0.62500000000000 0.61733103428036 186.207 > 23 139 Re 0.01393398988650 0.12500000000000 0.88266896571964 186.207 > 24 140 Re 0.34726732321983 0.12500000000000 0.88266896571964 186.207 > 24 141 Re 0.68060065655317 0.12500000000000 0.88266896571964 186.207 > 24 142 Re 0.01393398988650 0.62500000000000 0.88266896571964 186.207 > 24 143 Re 0.34726732321983 0.62500000000000 0.88266896571964 186.207 > 24 144 Re 0.68060065655317 0.62500000000000 0.88266896571964 186.207 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7437722 0.0000000 0.0000000 0.0000000 2.7885708 0.0000000 0.0000000 0.0000000 2.7510388 -------------------------- Born effective charges -------------------------- 1 O -0.5964687 0.2985585 0.1657469 0.3096861 -1.6220199 -0.7643857 0.1790416 -0.7243554 -1.0627162 2 O -0.5964687 -0.2985585 -0.1657469 -0.3096861 -1.6220199 -0.7643857 -0.1790416 -0.7243554 -1.0627162 3 O -0.5964687 -0.2985585 0.1657469 -0.3096861 -1.6220199 0.7643857 0.1790416 0.7243554 -1.0627162 4 O -0.5964687 0.2985585 -0.1657469 0.3096861 -1.6220199 0.7643857 -0.1790416 0.7243554 -1.0627162 5 O -0.5964687 0.2985585 0.1657469 0.3096861 -1.6220199 -0.7643857 0.1790416 -0.7243554 -1.0627162 6 O -0.5964687 -0.2985585 -0.1657469 -0.3096861 -1.6220199 -0.7643857 -0.1790416 -0.7243554 -1.0627162 7 O -0.5964687 -0.2985585 0.1657469 -0.3096861 -1.6220199 0.7643857 0.1790416 0.7243554 -1.0627162 8 O -0.5964687 0.2985585 -0.1657469 0.3096861 -1.6220199 0.7643857 -0.1790416 0.7243554 -1.0627162 9 O -2.0517128 0.0000000 0.4797286 0.0000000 -0.6034709 0.0000000 0.3915001 0.0000000 -0.6858182 10 O -2.0517128 0.0000000 -0.4797286 0.0000000 -0.6034709 0.0000000 -0.3915001 0.0000000 -0.6858182 11 O -2.0517128 0.0000000 0.4797286 0.0000000 -0.6034709 0.0000000 0.3915001 0.0000000 -0.6858182 12 O -2.0517128 0.0000000 -0.4797286 0.0000000 -0.6034709 0.0000000 -0.3915001 0.0000000 -0.6858182 13 O -1.0204459 0.0000000 0.7843024 0.0000000 -0.5440356 0.0000000 0.7851563 0.0000000 -1.5632449 14 O -1.0204459 0.0000000 -0.7843024 0.0000000 -0.5440356 0.0000000 -0.7851563 0.0000000 -1.5632449 15 O -1.0204459 0.0000000 0.7843024 0.0000000 -0.5440356 0.0000000 0.7851563 0.0000000 -1.5632449 16 O -1.0204459 0.0000000 -0.7843024 0.0000000 -0.5440356 0.0000000 -0.7851563 0.0000000 -1.5632449 17 Cs 1.4619874 0.0000000 -0.0640007 0.0000000 1.4881482 0.0000000 -0.0727199 0.0000000 1.4919165 18 Cs 1.4619874 0.0000000 0.0640007 0.0000000 1.4881482 0.0000000 0.0727199 0.0000000 1.4919165 19 Cs 1.4619874 0.0000000 -0.0640007 0.0000000 1.4881482 0.0000000 -0.0727199 0.0000000 1.4919165 20 Cs 1.4619874 0.0000000 0.0640007 0.0000000 1.4881482 0.0000000 0.0727199 0.0000000 1.4919165 21 Re 2.8031087 0.0000000 -0.0282153 0.0000000 2.9033980 0.0000000 -0.0422443 0.0000000 2.8825789 22 Re 2.8031087 0.0000000 0.0282153 0.0000000 2.9033980 0.0000000 0.0422443 0.0000000 2.8825789 23 Re 2.8031087 0.0000000 -0.0282153 0.0000000 2.9033980 0.0000000 -0.0422443 0.0000000 2.8825789 24 Re 2.8031087 0.0000000 0.0282153 0.0000000 2.9033980 0.0000000 0.0422443 0.0000000 2.8825789 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2082 Number of blocks in projector: 2082 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 240 eigenvectors found. (2) Block: 528 / 528 (2) 269 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 294 Use standard eigh solver. Tree of FC basis block matrices: - (2082, 2053), data: False |-- (294, 289), data: True |-- (294, 289), data: True |-- (294, 289), data: True |-- (336, 334), data: True |-- (336, 334), data: True |-- (528, 518), data: False |-- (528, 518), data: False |-- (528, 9), data: (528, 19) @ (19, 9) |-- (278, 269), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 400 - Time: 0.829 Solver_block: 200 / 400 - Time: 0.788 Solver_block: 300 / 400 - Time: 0.780 Solver_block: 400 / 400 - Time: 0.777 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.248 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2082 Number of blocks in projector: 2082 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: 528 Use submatrix version of eigh solver. (1) Block: 528 / 528 (2) Block: 250 / 528 (2) 240 eigenvectors found. (2) Block: 528 / 528 (2) 269 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 294 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 294 Use standard eigh solver. Tree of FC basis block matrices: - (2082, 2053), data: False |-- (294, 289), data: True |-- (294, 289), data: True |-- (294, 289), data: True |-- (336, 334), data: True |-- (336, 334), data: True |-- (528, 518), data: False |-- (528, 518), data: False |-- (528, 9), data: (528, 19) @ (19, 9) |-- (278, 269), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:31:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:31:44]------------------------- 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): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.724743100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.996996710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.240771779999999 Atomic positions (fractional): 1 O 0.51777450620551 0.51245402515252 0.31596894269054 15.999 2 O 0.01777450620551 0.98754597484748 0.18403105730946 15.999 3 O 0.48222549379449 0.01245402515252 0.68403105730946 15.999 4 O 0.98222549379449 0.48754597484748 0.81596894269054 15.999 5 O 0.48222549379449 0.48754597484748 0.68403105730946 15.999 6 O 0.98222549379449 0.01245402515252 0.81596894269054 15.999 7 O 0.51777450620551 0.98754597484748 0.31596894269054 15.999 8 O 0.01777450620551 0.51245402515252 0.18403105730946 15.999 9 O 0.83683635667792 0.25000000000000 0.58482738317447 15.999 10 O 0.33683635667792 0.25000000000000 0.91517261682553 15.999 11 O 0.16316364332208 0.75000000000000 0.41517261682553 15.999 12 O 0.66316364332208 0.75000000000000 0.08482738317447 15.999 13 O 0.86648159194524 0.25000000000000 0.98285045585382 15.999 14 O 0.36648159194524 0.25000000000000 0.51714954414618 15.999 15 O 0.13351840805476 0.75000000000000 0.01714954414619 15.999 16 O 0.63351840805476 0.75000000000000 0.48285045585381 15.999 17 Cs 0.47577898739083 0.25000000000000 0.12913695409494 132.905 18 Cs 0.97577898739083 0.25000000000000 0.37086304590506 132.905 19 Cs 0.52422101260917 0.75000000000000 0.87086304590506 132.905 20 Cs 0.02422101260917 0.75000000000000 0.62913695409494 132.905 21 Re 0.45819803034050 0.75000000000000 0.38266896571964 186.207 22 Re 0.95819803034050 0.75000000000000 0.11733103428036 186.207 23 Re 0.54180196965950 0.25000000000000 0.61733103428036 186.207 24 Re 0.04180196965950 0.25000000000000 0.88266896571964 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.174229300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.993993420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.240771779999999 Atomic positions (fractional): 1 O 0.17259150206850 0.25622701257626 0.31596894269054 15.999 > 1 2 O 0.50592483540184 0.25622701257626 0.31596894269054 15.999 > 1 3 O 0.83925816873517 0.25622701257626 0.31596894269054 15.999 > 1 4 O 0.17259150206850 0.75622701257626 0.31596894269054 15.999 > 1 5 O 0.50592483540184 0.75622701257626 0.31596894269054 15.999 > 1 6 O 0.83925816873517 0.75622701257626 0.31596894269054 15.999 > 1 7 O 0.00592483540184 0.49377298742374 0.18403105730946 15.999 > 7 8 O 0.33925816873517 0.49377298742374 0.18403105730946 15.999 > 7 9 O 0.67259150206850 0.49377298742374 0.18403105730946 15.999 > 7 10 O 0.00592483540184 0.99377298742374 0.18403105730946 15.999 > 7 11 O 0.33925816873517 0.99377298742374 0.18403105730946 15.999 > 7 12 O 0.67259150206850 0.99377298742374 0.18403105730946 15.999 > 7 13 O 0.16074183126483 0.00622701257626 0.68403105730946 15.999 > 13 14 O 0.49407516459816 0.00622701257626 0.68403105730946 15.999 > 13 15 O 0.82740849793150 0.00622701257626 0.68403105730946 15.999 > 13 16 O 0.16074183126483 0.50622701257626 0.68403105730946 15.999 > 13 17 O 0.49407516459816 0.50622701257626 0.68403105730946 15.999 > 13 18 O 0.82740849793150 0.50622701257626 0.68403105730946 15.999 > 13 19 O 0.32740849793150 0.24377298742374 0.81596894269054 15.999 > 19 20 O 0.66074183126483 0.24377298742374 0.81596894269054 15.999 > 19 21 O 0.99407516459816 0.24377298742374 0.81596894269054 15.999 > 19 22 O 0.32740849793150 0.74377298742374 0.81596894269054 15.999 > 19 23 O 0.66074183126483 0.74377298742374 0.81596894269054 15.999 > 19 24 O 0.99407516459816 0.74377298742374 0.81596894269054 15.999 > 19 25 O 0.16074183126483 0.24377298742374 0.68403105730946 15.999 > 25 26 O 0.49407516459816 0.24377298742374 0.68403105730946 15.999 > 25 27 O 0.82740849793150 0.24377298742374 0.68403105730946 15.999 > 25 28 O 0.16074183126483 0.74377298742374 0.68403105730946 15.999 > 25 29 O 0.49407516459816 0.74377298742374 0.68403105730946 15.999 > 25 30 O 0.82740849793150 0.74377298742374 0.68403105730946 15.999 > 25 31 O 0.32740849793150 0.00622701257626 0.81596894269054 15.999 > 31 32 O 0.66074183126483 0.00622701257626 0.81596894269054 15.999 > 31 33 O 0.99407516459816 0.00622701257626 0.81596894269054 15.999 > 31 34 O 0.32740849793150 0.50622701257626 0.81596894269054 15.999 > 31 35 O 0.66074183126483 0.50622701257626 0.81596894269054 15.999 > 31 36 O 0.99407516459816 0.50622701257626 0.81596894269054 15.999 > 31 37 O 0.17259150206850 0.49377298742374 0.31596894269054 15.999 > 37 38 O 0.50592483540184 0.49377298742374 0.31596894269054 15.999 > 37 39 O 0.83925816873517 0.49377298742374 0.31596894269054 15.999 > 37 40 O 0.17259150206850 0.99377298742374 0.31596894269054 15.999 > 37 41 O 0.50592483540184 0.99377298742374 0.31596894269054 15.999 > 37 42 O 0.83925816873517 0.99377298742374 0.31596894269054 15.999 > 37 43 O 0.00592483540184 0.25622701257626 0.18403105730946 15.999 > 43 44 O 0.33925816873517 0.25622701257626 0.18403105730946 15.999 > 43 45 O 0.67259150206850 0.25622701257626 0.18403105730946 15.999 > 43 46 O 0.00592483540184 0.75622701257626 0.18403105730946 15.999 > 43 47 O 0.33925816873517 0.75622701257626 0.18403105730946 15.999 > 43 48 O 0.67259150206850 0.75622701257626 0.18403105730946 15.999 > 43 49 O 0.27894545222597 0.12500000000000 0.58482738317447 15.999 > 49 50 O 0.61227878555931 0.12500000000000 0.58482738317447 15.999 > 49 51 O 0.94561211889264 0.12500000000000 0.58482738317447 15.999 > 49 52 O 0.27894545222597 0.62500000000000 0.58482738317447 15.999 > 49 53 O 0.61227878555931 0.62500000000000 0.58482738317447 15.999 > 49 54 O 0.94561211889264 0.62500000000000 0.58482738317447 15.999 > 49 55 O 0.11227878555930 0.12500000000000 0.91517261682553 15.999 > 55 56 O 0.44561211889264 0.12500000000000 0.91517261682553 15.999 > 55 57 O 0.77894545222597 0.12500000000000 0.91517261682553 15.999 > 55 58 O 0.11227878555930 0.62500000000000 0.91517261682553 15.999 > 55 59 O 0.44561211889264 0.62500000000000 0.91517261682553 15.999 > 55 60 O 0.77894545222597 0.62500000000000 0.91517261682553 15.999 > 55 61 O 0.05438788110736 0.37500000000000 0.41517261682553 15.999 > 61 62 O 0.38772121444069 0.37500000000000 0.41517261682553 15.999 > 61 63 O 0.72105454777403 0.37500000000000 0.41517261682553 15.999 > 61 64 O 0.05438788110736 0.87500000000000 0.41517261682553 15.999 > 61 65 O 0.38772121444069 0.87500000000000 0.41517261682553 15.999 > 61 66 O 0.72105454777403 0.87500000000000 0.41517261682553 15.999 > 61 67 O 0.22105454777403 0.37500000000000 0.08482738317447 15.999 > 67 68 O 0.55438788110736 0.37500000000000 0.08482738317447 15.999 > 67 69 O 0.88772121444069 0.37500000000000 0.08482738317447 15.999 > 67 70 O 0.22105454777403 0.87500000000000 0.08482738317447 15.999 > 67 71 O 0.55438788110736 0.87500000000000 0.08482738317447 15.999 > 67 72 O 0.88772121444069 0.87500000000000 0.08482738317447 15.999 > 67 73 O 0.28882719731508 0.12500000000000 0.98285045585382 15.999 > 73 74 O 0.62216053064841 0.12500000000000 0.98285045585382 15.999 > 73 75 O 0.95549386398175 0.12500000000000 0.98285045585382 15.999 > 73 76 O 0.28882719731508 0.62500000000000 0.98285045585382 15.999 > 73 77 O 0.62216053064841 0.62500000000000 0.98285045585382 15.999 > 73 78 O 0.95549386398175 0.62500000000000 0.98285045585382 15.999 > 73 79 O 0.12216053064841 0.12500000000000 0.51714954414618 15.999 > 79 80 O 0.45549386398175 0.12500000000000 0.51714954414618 15.999 > 79 81 O 0.78882719731508 0.12500000000000 0.51714954414618 15.999 > 79 82 O 0.12216053064841 0.62500000000000 0.51714954414618 15.999 > 79 83 O 0.45549386398175 0.62500000000000 0.51714954414618 15.999 > 79 84 O 0.78882719731508 0.62500000000000 0.51714954414618 15.999 > 79 85 O 0.04450613601825 0.37500000000000 0.01714954414619 15.999 > 85 86 O 0.37783946935159 0.37500000000000 0.01714954414619 15.999 > 85 87 O 0.71117280268492 0.37500000000000 0.01714954414619 15.999 > 85 88 O 0.04450613601825 0.87500000000000 0.01714954414619 15.999 > 85 89 O 0.37783946935159 0.87500000000000 0.01714954414619 15.999 > 85 90 O 0.71117280268492 0.87500000000000 0.01714954414619 15.999 > 85 91 O 0.21117280268492 0.37500000000000 0.48285045585381 15.999 > 91 92 O 0.54450613601825 0.37500000000000 0.48285045585381 15.999 > 91 93 O 0.87783946935159 0.37500000000000 0.48285045585381 15.999 > 91 94 O 0.21117280268492 0.87500000000000 0.48285045585381 15.999 > 91 95 O 0.54450613601825 0.87500000000000 0.48285045585381 15.999 > 91 96 O 0.87783946935159 0.87500000000000 0.48285045585381 15.999 > 91 97 Cs 0.15859299579694 0.12500000000000 0.12913695409494 132.905 > 97 98 Cs 0.49192632913028 0.12500000000000 0.12913695409494 132.905 > 97 99 Cs 0.82525966246361 0.12500000000000 0.12913695409494 132.905 > 97 100 Cs 0.15859299579694 0.62500000000000 0.12913695409494 132.905 > 97 101 Cs 0.49192632913028 0.62500000000000 0.12913695409494 132.905 > 97 102 Cs 0.82525966246361 0.62500000000000 0.12913695409494 132.905 > 97 103 Cs 0.32525966246361 0.12500000000000 0.37086304590506 132.905 > 103 104 Cs 0.65859299579694 0.12500000000000 0.37086304590506 132.905 > 103 105 Cs 0.99192632913028 0.12500000000000 0.37086304590506 132.905 > 103 106 Cs 0.32525966246361 0.62500000000000 0.37086304590506 132.905 > 103 107 Cs 0.65859299579694 0.62500000000000 0.37086304590506 132.905 > 103 108 Cs 0.99192632913028 0.62500000000000 0.37086304590506 132.905 > 103 109 Cs 0.17474033753639 0.37500000000000 0.87086304590506 132.905 > 109 110 Cs 0.50807367086972 0.37500000000000 0.87086304590506 132.905 > 109 111 Cs 0.84140700420306 0.37500000000000 0.87086304590506 132.905 > 109 112 Cs 0.17474033753639 0.87500000000000 0.87086304590506 132.905 > 109 113 Cs 0.50807367086972 0.87500000000000 0.87086304590506 132.905 > 109 114 Cs 0.84140700420306 0.87500000000000 0.87086304590506 132.905 > 109 115 Cs 0.00807367086972 0.37500000000000 0.62913695409494 132.905 > 115 116 Cs 0.34140700420306 0.37500000000000 0.62913695409494 132.905 > 115 117 Cs 0.67474033753639 0.37500000000000 0.62913695409494 132.905 > 115 118 Cs 0.00807367086972 0.87500000000000 0.62913695409494 132.905 > 115 119 Cs 0.34140700420306 0.87500000000000 0.62913695409494 132.905 > 115 120 Cs 0.67474033753639 0.87500000000000 0.62913695409494 132.905 > 115 121 Re 0.15273267678017 0.37500000000000 0.38266896571964 186.207 > 121 122 Re 0.48606601011350 0.37500000000000 0.38266896571964 186.207 > 121 123 Re 0.81939934344683 0.37500000000000 0.38266896571964 186.207 > 121 124 Re 0.15273267678017 0.87500000000000 0.38266896571964 186.207 > 121 125 Re 0.48606601011350 0.87500000000000 0.38266896571964 186.207 > 121 126 Re 0.81939934344683 0.87500000000000 0.38266896571964 186.207 > 121 127 Re 0.31939934344683 0.37500000000000 0.11733103428036 186.207 > 127 128 Re 0.65273267678017 0.37500000000000 0.11733103428036 186.207 > 127 129 Re 0.98606601011350 0.37500000000000 0.11733103428036 186.207 > 127 130 Re 0.31939934344683 0.87500000000000 0.11733103428036 186.207 > 127 131 Re 0.65273267678017 0.87500000000000 0.11733103428036 186.207 > 127 132 Re 0.98606601011350 0.87500000000000 0.11733103428036 186.207 > 127 133 Re 0.18060065655317 0.12500000000000 0.61733103428036 186.207 > 133 134 Re 0.51393398988650 0.12500000000000 0.61733103428036 186.207 > 133 135 Re 0.84726732321983 0.12500000000000 0.61733103428036 186.207 > 133 136 Re 0.18060065655317 0.62500000000000 0.61733103428036 186.207 > 133 137 Re 0.51393398988650 0.62500000000000 0.61733103428036 186.207 > 133 138 Re 0.84726732321983 0.62500000000000 0.61733103428036 186.207 > 133 139 Re 0.01393398988650 0.12500000000000 0.88266896571964 186.207 > 139 140 Re 0.34726732321983 0.12500000000000 0.88266896571964 186.207 > 139 141 Re 0.68060065655317 0.12500000000000 0.88266896571964 186.207 > 139 142 Re 0.01393398988650 0.62500000000000 0.88266896571964 186.207 > 139 143 Re 0.34726732321983 0.62500000000000 0.88266896571964 186.207 > 139 144 Re 0.68060065655317 0.62500000000000 0.88266896571964 186.207 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7437722 0.0000000 0.0000000 0.0000000 2.7885708 0.0000000 0.0000000 0.0000000 2.7510388 -------------------------- Born effective charges -------------------------- 1 O -0.5964687 0.2985585 0.1657469 0.3096861 -1.6220199 -0.7643857 0.1790416 -0.7243554 -1.0627162 2 O -0.5964687 -0.2985585 -0.1657469 -0.3096861 -1.6220199 -0.7643857 -0.1790416 -0.7243554 -1.0627162 3 O -0.5964687 -0.2985585 0.1657469 -0.3096861 -1.6220199 0.7643857 0.1790416 0.7243554 -1.0627162 4 O -0.5964687 0.2985585 -0.1657469 0.3096861 -1.6220199 0.7643857 -0.1790416 0.7243554 -1.0627162 5 O -0.5964687 0.2985585 0.1657469 0.3096861 -1.6220199 -0.7643857 0.1790416 -0.7243554 -1.0627162 6 O -0.5964687 -0.2985585 -0.1657469 -0.3096861 -1.6220199 -0.7643857 -0.1790416 -0.7243554 -1.0627162 7 O -0.5964687 -0.2985585 0.1657469 -0.3096861 -1.6220199 0.7643857 0.1790416 0.7243554 -1.0627162 8 O -0.5964687 0.2985585 -0.1657469 0.3096861 -1.6220199 0.7643857 -0.1790416 0.7243554 -1.0627162 9 O -2.0517128 0.0000000 0.4797286 0.0000000 -0.6034709 0.0000000 0.3915001 0.0000000 -0.6858182 10 O -2.0517128 0.0000000 -0.4797286 0.0000000 -0.6034709 0.0000000 -0.3915001 0.0000000 -0.6858182 11 O -2.0517128 0.0000000 0.4797286 0.0000000 -0.6034709 0.0000000 0.3915001 0.0000000 -0.6858182 12 O -2.0517128 0.0000000 -0.4797286 0.0000000 -0.6034709 0.0000000 -0.3915001 0.0000000 -0.6858182 13 O -1.0204459 0.0000000 0.7843024 0.0000000 -0.5440356 0.0000000 0.7851563 0.0000000 -1.5632449 14 O -1.0204459 0.0000000 -0.7843024 0.0000000 -0.5440356 0.0000000 -0.7851563 0.0000000 -1.5632449 15 O -1.0204459 0.0000000 0.7843024 0.0000000 -0.5440356 0.0000000 0.7851563 0.0000000 -1.5632449 16 O -1.0204459 0.0000000 -0.7843024 0.0000000 -0.5440356 0.0000000 -0.7851563 0.0000000 -1.5632449 17 Cs 1.4619874 0.0000000 -0.0640007 0.0000000 1.4881482 0.0000000 -0.0727199 0.0000000 1.4919165 18 Cs 1.4619874 0.0000000 0.0640007 0.0000000 1.4881482 0.0000000 0.0727199 0.0000000 1.4919165 19 Cs 1.4619874 0.0000000 -0.0640007 0.0000000 1.4881482 0.0000000 -0.0727199 0.0000000 1.4919165 20 Cs 1.4619874 0.0000000 0.0640007 0.0000000 1.4881482 0.0000000 0.0727199 0.0000000 1.4919165 21 Re 2.8031087 0.0000000 -0.0282153 0.0000000 2.9033980 0.0000000 -0.0422443 0.0000000 2.8825789 22 Re 2.8031087 0.0000000 0.0282153 0.0000000 2.9033980 0.0000000 0.0422443 0.0000000 2.8825789 23 Re 2.8031087 0.0000000 -0.0282153 0.0000000 2.9033980 0.0000000 -0.0422443 0.0000000 2.8825789 24 Re 2.8031087 0.0000000 0.0282153 0.0000000 2.9033980 0.0000000 0.0422443 0.0000000 2.8825789 ---------------------------------------------------------------------------- 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[ 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[ 73, 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[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 2026-01-08 03:32:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:32:13]------------------------- 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): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.724743100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.996996710000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.240771779999999 Atomic positions (fractional): 1 O 0.51777450620551 0.51245402515252 0.31596894269054 15.999 2 O 0.01777450620551 0.98754597484748 0.18403105730946 15.999 3 O 0.48222549379449 0.01245402515252 0.68403105730946 15.999 4 O 0.98222549379449 0.48754597484748 0.81596894269054 15.999 5 O 0.48222549379449 0.48754597484748 0.68403105730946 15.999 6 O 0.98222549379449 0.01245402515252 0.81596894269054 15.999 7 O 0.51777450620551 0.98754597484748 0.31596894269054 15.999 8 O 0.01777450620551 0.51245402515252 0.18403105730946 15.999 9 O 0.83683635667792 0.25000000000000 0.58482738317447 15.999 10 O 0.33683635667792 0.25000000000000 0.91517261682553 15.999 11 O 0.16316364332208 0.75000000000000 0.41517261682553 15.999 12 O 0.66316364332208 0.75000000000000 0.08482738317447 15.999 13 O 0.86648159194524 0.25000000000000 0.98285045585382 15.999 14 O 0.36648159194524 0.25000000000000 0.51714954414618 15.999 15 O 0.13351840805476 0.75000000000000 0.01714954414619 15.999 16 O 0.63351840805476 0.75000000000000 0.48285045585381 15.999 17 Cs 0.47577898739083 0.25000000000000 0.12913695409494 132.905 18 Cs 0.97577898739083 0.25000000000000 0.37086304590506 132.905 19 Cs 0.52422101260917 0.75000000000000 0.87086304590506 132.905 20 Cs 0.02422101260917 0.75000000000000 0.62913695409494 132.905 21 Re 0.45819803034050 0.75000000000000 0.38266896571964 186.207 22 Re 0.95819803034050 0.75000000000000 0.11733103428036 186.207 23 Re 0.54180196965950 0.25000000000000 0.61733103428036 186.207 24 Re 0.04180196965950 0.25000000000000 0.88266896571964 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.174229300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.993993420000002 0.000000000000000 c 0.000000000000000 0.000000000000000 14.240771779999999 Atomic positions (fractional): 1 O 0.17259150206850 0.25622701257626 0.31596894269054 15.999 > 1 2 O 0.50592483540184 0.25622701257626 0.31596894269054 15.999 > 1 3 O 0.83925816873517 0.25622701257626 0.31596894269054 15.999 > 1 4 O 0.17259150206850 0.75622701257626 0.31596894269054 15.999 > 1 5 O 0.50592483540184 0.75622701257626 0.31596894269054 15.999 > 1 6 O 0.83925816873517 0.75622701257626 0.31596894269054 15.999 > 1 7 O 0.00592483540184 0.49377298742374 0.18403105730946 15.999 > 7 8 O 0.33925816873517 0.49377298742374 0.18403105730946 15.999 > 7 9 O 0.67259150206850 0.49377298742374 0.18403105730946 15.999 > 7 10 O 0.00592483540184 0.99377298742374 0.18403105730946 15.999 > 7 11 O 0.33925816873517 0.99377298742374 0.18403105730946 15.999 > 7 12 O 0.67259150206850 0.99377298742374 0.18403105730946 15.999 > 7 13 O 0.16074183126483 0.00622701257626 0.68403105730946 15.999 > 13 14 O 0.49407516459816 0.00622701257626 0.68403105730946 15.999 > 13 15 O 0.82740849793150 0.00622701257626 0.68403105730946 15.999 > 13 16 O 0.16074183126483 0.50622701257626 0.68403105730946 15.999 > 13 17 O 0.49407516459816 0.50622701257626 0.68403105730946 15.999 > 13 18 O 0.82740849793150 0.50622701257626 0.68403105730946 15.999 > 13 19 O 0.32740849793150 0.24377298742374 0.81596894269054 15.999 > 19 20 O 0.66074183126483 0.24377298742374 0.81596894269054 15.999 > 19 21 O 0.99407516459816 0.24377298742374 0.81596894269054 15.999 > 19 22 O 0.32740849793150 0.74377298742374 0.81596894269054 15.999 > 19 23 O 0.66074183126483 0.74377298742374 0.81596894269054 15.999 > 19 24 O 0.99407516459816 0.74377298742374 0.81596894269054 15.999 > 19 25 O 0.16074183126483 0.24377298742374 0.68403105730946 15.999 > 25 26 O 0.49407516459816 0.24377298742374 0.68403105730946 15.999 > 25 27 O 0.82740849793150 0.24377298742374 0.68403105730946 15.999 > 25 28 O 0.16074183126483 0.74377298742374 0.68403105730946 15.999 > 25 29 O 0.49407516459816 0.74377298742374 0.68403105730946 15.999 > 25 30 O 0.82740849793150 0.74377298742374 0.68403105730946 15.999 > 25 31 O 0.32740849793150 0.00622701257626 0.81596894269054 15.999 > 31 32 O 0.66074183126483 0.00622701257626 0.81596894269054 15.999 > 31 33 O 0.99407516459816 0.00622701257626 0.81596894269054 15.999 > 31 34 O 0.32740849793150 0.50622701257626 0.81596894269054 15.999 > 31 35 O 0.66074183126483 0.50622701257626 0.81596894269054 15.999 > 31 36 O 0.99407516459816 0.50622701257626 0.81596894269054 15.999 > 31 37 O 0.17259150206850 0.49377298742374 0.31596894269054 15.999 > 37 38 O 0.50592483540184 0.49377298742374 0.31596894269054 15.999 > 37 39 O 0.83925816873517 0.49377298742374 0.31596894269054 15.999 > 37 40 O 0.17259150206850 0.99377298742374 0.31596894269054 15.999 > 37 41 O 0.50592483540184 0.99377298742374 0.31596894269054 15.999 > 37 42 O 0.83925816873517 0.99377298742374 0.31596894269054 15.999 > 37 43 O 0.00592483540184 0.25622701257626 0.18403105730946 15.999 > 43 44 O 0.33925816873517 0.25622701257626 0.18403105730946 15.999 > 43 45 O 0.67259150206850 0.25622701257626 0.18403105730946 15.999 > 43 46 O 0.00592483540184 0.75622701257626 0.18403105730946 15.999 > 43 47 O 0.33925816873517 0.75622701257626 0.18403105730946 15.999 > 43 48 O 0.67259150206850 0.75622701257626 0.18403105730946 15.999 > 43 49 O 0.27894545222597 0.12500000000000 0.58482738317447 15.999 > 49 50 O 0.61227878555931 0.12500000000000 0.58482738317447 15.999 > 49 51 O 0.94561211889264 0.12500000000000 0.58482738317447 15.999 > 49 52 O 0.27894545222597 0.62500000000000 0.58482738317447 15.999 > 49 53 O 0.61227878555931 0.62500000000000 0.58482738317447 15.999 > 49 54 O 0.94561211889264 0.62500000000000 0.58482738317447 15.999 > 49 55 O 0.11227878555930 0.12500000000000 0.91517261682553 15.999 > 55 56 O 0.44561211889264 0.12500000000000 0.91517261682553 15.999 > 55 57 O 0.77894545222597 0.12500000000000 0.91517261682553 15.999 > 55 58 O 0.11227878555930 0.62500000000000 0.91517261682553 15.999 > 55 59 O 0.44561211889264 0.62500000000000 0.91517261682553 15.999 > 55 60 O 0.77894545222597 0.62500000000000 0.91517261682553 15.999 > 55 61 O 0.05438788110736 0.37500000000000 0.41517261682553 15.999 > 61 62 O 0.38772121444069 0.37500000000000 0.41517261682553 15.999 > 61 63 O 0.72105454777403 0.37500000000000 0.41517261682553 15.999 > 61 64 O 0.05438788110736 0.87500000000000 0.41517261682553 15.999 > 61 65 O 0.38772121444069 0.87500000000000 0.41517261682553 15.999 > 61 66 O 0.72105454777403 0.87500000000000 0.41517261682553 15.999 > 61 67 O 0.22105454777403 0.37500000000000 0.08482738317447 15.999 > 67 68 O 0.55438788110736 0.37500000000000 0.08482738317447 15.999 > 67 69 O 0.88772121444069 0.37500000000000 0.08482738317447 15.999 > 67 70 O 0.22105454777403 0.87500000000000 0.08482738317447 15.999 > 67 71 O 0.55438788110736 0.87500000000000 0.08482738317447 15.999 > 67 72 O 0.88772121444069 0.87500000000000 0.08482738317447 15.999 > 67 73 O 0.28882719731508 0.12500000000000 0.98285045585382 15.999 > 73 74 O 0.62216053064841 0.12500000000000 0.98285045585382 15.999 > 73 75 O 0.95549386398175 0.12500000000000 0.98285045585382 15.999 > 73 76 O 0.28882719731508 0.62500000000000 0.98285045585382 15.999 > 73 77 O 0.62216053064841 0.62500000000000 0.98285045585382 15.999 > 73 78 O 0.95549386398175 0.62500000000000 0.98285045585382 15.999 > 73 79 O 0.12216053064841 0.12500000000000 0.51714954414618 15.999 > 79 80 O 0.45549386398175 0.12500000000000 0.51714954414618 15.999 > 79 81 O 0.78882719731508 0.12500000000000 0.51714954414618 15.999 > 79 82 O 0.12216053064841 0.62500000000000 0.51714954414618 15.999 > 79 83 O 0.45549386398175 0.62500000000000 0.51714954414618 15.999 > 79 84 O 0.78882719731508 0.62500000000000 0.51714954414618 15.999 > 79 85 O 0.04450613601825 0.37500000000000 0.01714954414619 15.999 > 85 86 O 0.37783946935159 0.37500000000000 0.01714954414619 15.999 > 85 87 O 0.71117280268492 0.37500000000000 0.01714954414619 15.999 > 85 88 O 0.04450613601825 0.87500000000000 0.01714954414619 15.999 > 85 89 O 0.37783946935159 0.87500000000000 0.01714954414619 15.999 > 85 90 O 0.71117280268492 0.87500000000000 0.01714954414619 15.999 > 85 91 O 0.21117280268492 0.37500000000000 0.48285045585381 15.999 > 91 92 O 0.54450613601825 0.37500000000000 0.48285045585381 15.999 > 91 93 O 0.87783946935159 0.37500000000000 0.48285045585381 15.999 > 91 94 O 0.21117280268492 0.87500000000000 0.48285045585381 15.999 > 91 95 O 0.54450613601825 0.87500000000000 0.48285045585381 15.999 > 91 96 O 0.87783946935159 0.87500000000000 0.48285045585381 15.999 > 91 97 Cs 0.15859299579694 0.12500000000000 0.12913695409494 132.905 > 97 98 Cs 0.49192632913028 0.12500000000000 0.12913695409494 132.905 > 97 99 Cs 0.82525966246361 0.12500000000000 0.12913695409494 132.905 > 97 100 Cs 0.15859299579694 0.62500000000000 0.12913695409494 132.905 > 97 101 Cs 0.49192632913028 0.62500000000000 0.12913695409494 132.905 > 97 102 Cs 0.82525966246361 0.62500000000000 0.12913695409494 132.905 > 97 103 Cs 0.32525966246361 0.12500000000000 0.37086304590506 132.905 > 103 104 Cs 0.65859299579694 0.12500000000000 0.37086304590506 132.905 > 103 105 Cs 0.99192632913028 0.12500000000000 0.37086304590506 132.905 > 103 106 Cs 0.32525966246361 0.62500000000000 0.37086304590506 132.905 > 103 107 Cs 0.65859299579694 0.62500000000000 0.37086304590506 132.905 > 103 108 Cs 0.99192632913028 0.62500000000000 0.37086304590506 132.905 > 103 109 Cs 0.17474033753639 0.37500000000000 0.87086304590506 132.905 > 109 110 Cs 0.50807367086972 0.37500000000000 0.87086304590506 132.905 > 109 111 Cs 0.84140700420306 0.37500000000000 0.87086304590506 132.905 > 109 112 Cs 0.17474033753639 0.87500000000000 0.87086304590506 132.905 > 109 113 Cs 0.50807367086972 0.87500000000000 0.87086304590506 132.905 > 109 114 Cs 0.84140700420306 0.87500000000000 0.87086304590506 132.905 > 109 115 Cs 0.00807367086972 0.37500000000000 0.62913695409494 132.905 > 115 116 Cs 0.34140700420306 0.37500000000000 0.62913695409494 132.905 > 115 117 Cs 0.67474033753639 0.37500000000000 0.62913695409494 132.905 > 115 118 Cs 0.00807367086972 0.87500000000000 0.62913695409494 132.905 > 115 119 Cs 0.34140700420306 0.87500000000000 0.62913695409494 132.905 > 115 120 Cs 0.67474033753639 0.87500000000000 0.62913695409494 132.905 > 115 121 Re 0.15273267678017 0.37500000000000 0.38266896571964 186.207 > 121 122 Re 0.48606601011350 0.37500000000000 0.38266896571964 186.207 > 121 123 Re 0.81939934344683 0.37500000000000 0.38266896571964 186.207 > 121 124 Re 0.15273267678017 0.87500000000000 0.38266896571964 186.207 > 121 125 Re 0.48606601011350 0.87500000000000 0.38266896571964 186.207 > 121 126 Re 0.81939934344683 0.87500000000000 0.38266896571964 186.207 > 121 127 Re 0.31939934344683 0.37500000000000 0.11733103428036 186.207 > 127 128 Re 0.65273267678017 0.37500000000000 0.11733103428036 186.207 > 127 129 Re 0.98606601011350 0.37500000000000 0.11733103428036 186.207 > 127 130 Re 0.31939934344683 0.87500000000000 0.11733103428036 186.207 > 127 131 Re 0.65273267678017 0.87500000000000 0.11733103428036 186.207 > 127 132 Re 0.98606601011350 0.87500000000000 0.11733103428036 186.207 > 127 133 Re 0.18060065655317 0.12500000000000 0.61733103428036 186.207 > 133 134 Re 0.51393398988650 0.12500000000000 0.61733103428036 186.207 > 133 135 Re 0.84726732321983 0.12500000000000 0.61733103428036 186.207 > 133 136 Re 0.18060065655317 0.62500000000000 0.61733103428036 186.207 > 133 137 Re 0.51393398988650 0.62500000000000 0.61733103428036 186.207 > 133 138 Re 0.84726732321983 0.62500000000000 0.61733103428036 186.207 > 133 139 Re 0.01393398988650 0.12500000000000 0.88266896571964 186.207 > 139 140 Re 0.34726732321983 0.12500000000000 0.88266896571964 186.207 > 139 141 Re 0.68060065655317 0.12500000000000 0.88266896571964 186.207 > 139 142 Re 0.01393398988650 0.62500000000000 0.88266896571964 186.207 > 139 143 Re 0.34726732321983 0.62500000000000 0.88266896571964 186.207 > 139 144 Re 0.68060065655317 0.62500000000000 0.88266896571964 186.207 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7437722 0.0000000 0.0000000 0.0000000 2.7885708 0.0000000 0.0000000 0.0000000 2.7510388 -------------------------- Born effective charges -------------------------- 1 O -0.5964687 0.2985585 0.1657469 0.3096861 -1.6220199 -0.7643857 0.1790416 -0.7243554 -1.0627162 2 O -0.5964687 -0.2985585 -0.1657469 -0.3096861 -1.6220199 -0.7643857 -0.1790416 -0.7243554 -1.0627162 3 O -0.5964687 -0.2985585 0.1657469 -0.3096861 -1.6220199 0.7643857 0.1790416 0.7243554 -1.0627162 4 O -0.5964687 0.2985585 -0.1657469 0.3096861 -1.6220199 0.7643857 -0.1790416 0.7243554 -1.0627162 5 O -0.5964687 0.2985585 0.1657469 0.3096861 -1.6220199 -0.7643857 0.1790416 -0.7243554 -1.0627162 6 O -0.5964687 -0.2985585 -0.1657469 -0.3096861 -1.6220199 -0.7643857 -0.1790416 -0.7243554 -1.0627162 7 O -0.5964687 -0.2985585 0.1657469 -0.3096861 -1.6220199 0.7643857 0.1790416 0.7243554 -1.0627162 8 O -0.5964687 0.2985585 -0.1657469 0.3096861 -1.6220199 0.7643857 -0.1790416 0.7243554 -1.0627162 9 O -2.0517128 0.0000000 0.4797286 0.0000000 -0.6034709 0.0000000 0.3915001 0.0000000 -0.6858182 10 O -2.0517128 0.0000000 -0.4797286 0.0000000 -0.6034709 0.0000000 -0.3915001 0.0000000 -0.6858182 11 O -2.0517128 0.0000000 0.4797286 0.0000000 -0.6034709 0.0000000 0.3915001 0.0000000 -0.6858182 12 O -2.0517128 0.0000000 -0.4797286 0.0000000 -0.6034709 0.0000000 -0.3915001 0.0000000 -0.6858182 13 O -1.0204459 0.0000000 0.7843024 0.0000000 -0.5440356 0.0000000 0.7851563 0.0000000 -1.5632449 14 O -1.0204459 0.0000000 -0.7843024 0.0000000 -0.5440356 0.0000000 -0.7851563 0.0000000 -1.5632449 15 O -1.0204459 0.0000000 0.7843024 0.0000000 -0.5440356 0.0000000 0.7851563 0.0000000 -1.5632449 16 O -1.0204459 0.0000000 -0.7843024 0.0000000 -0.5440356 0.0000000 -0.7851563 0.0000000 -1.5632449 17 Cs 1.4619874 0.0000000 -0.0640007 0.0000000 1.4881482 0.0000000 -0.0727199 0.0000000 1.4919165 18 Cs 1.4619874 0.0000000 0.0640007 0.0000000 1.4881482 0.0000000 0.0727199 0.0000000 1.4919165 19 Cs 1.4619874 0.0000000 -0.0640007 0.0000000 1.4881482 0.0000000 -0.0727199 0.0000000 1.4919165 20 Cs 1.4619874 0.0000000 0.0640007 0.0000000 1.4881482 0.0000000 0.0727199 0.0000000 1.4919165 21 Re 2.8031087 0.0000000 -0.0282153 0.0000000 2.9033980 0.0000000 -0.0422443 0.0000000 2.8825789 22 Re 2.8031087 0.0000000 0.0282153 0.0000000 2.9033980 0.0000000 0.0422443 0.0000000 2.8825789 23 Re 2.8031087 0.0000000 -0.0282153 0.0000000 2.9033980 0.0000000 -0.0422443 0.0000000 2.8825789 24 Re 2.8031087 0.0000000 0.0282153 0.0000000 2.9033980 0.0000000 0.0422443 0.0000000 2.8825789 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 4 ] 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: 0.53, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 75 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 0.583 ( 0.000 0.000 0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.711 ( 0.000 0.000 0.000) 0.000 0.817 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 0.000) 0.000 0.969 ( 0.000 0.000 0.000) 0.000 1.027 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.194 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 8.908 ( 0.000 0.000 0.000) 0.000 8.917 ( 0.000 0.000 0.000) 0.000 9.297 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 9.905 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.063 ( 0.000 0.000 0.000) 0.000 27.223 ( 0.000 0.000 0.000) 0.000 27.251 ( 0.000 0.000 0.000) 0.000 27.296 ( 0.000 0.000 0.000) 0.000 27.299 ( 0.000 0.000 0.000) 0.000 27.301 ( 0.000 0.000 0.000) 0.000 27.311 ( 0.000 0.000 0.000) 0.000 27.677 ( 0.000 0.000 0.000) 0.000 27.690 ( 0.000 0.000 0.000) 0.000 27.786 ( 0.000 0.000 0.000) 0.000 27.984 ( 0.000 0.000 0.000) 0.000 28.221 ( 0.000 0.000 0.000) 0.000 28.656 ( 0.000 0.000 0.000) 0.000 29.456 ( 0.000 0.000 0.000) 0.000 29.458 ( 0.000 0.000 0.000) 0.000 29.480 ( 0.000 0.000 0.000) 0.000 29.481 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.196 ( 9.084 0.000 0.000) 9.084 0.240 ( 12.568 0.000 0.000) 12.568 0.336 ( 17.436 0.000 0.000) 17.436 0.602 ( 2.064 0.000 0.000) 2.064 0.740 ( 2.941 0.000 0.000) 2.941 0.784 ( 7.755 0.000 0.000) 7.755 0.837 ( -9.931 0.000 0.000) 9.931 0.842 ( 2.424 0.000 0.000) 2.424 1.047 ( 2.139 0.000 0.000) 2.139 1.128 ( 2.547 0.000 0.000) 2.547 1.210 ( -5.179 0.000 0.000) 5.179 1.220 ( 2.579 0.000 0.000) 2.579 1.297 ( -5.893 0.000 0.000) 5.893 1.299 ( 3.341 0.000 0.000) 3.341 1.354 ( -4.415 0.000 0.000) 4.415 1.444 ( 5.425 0.000 0.000) 5.425 1.514 ( 1.293 0.000 0.000) 1.293 1.597 ( -1.506 0.000 0.000) 1.506 1.705 ( 2.342 0.000 0.000) 2.342 1.813 ( 7.230 0.000 0.000) 7.230 1.871 ( 5.144 0.000 0.000) 5.144 2.044 ( -3.484 0.000 0.000) 3.484 2.130 ( 1.886 0.000 0.000) 1.886 2.135 ( -5.629 0.000 0.000) 5.629 2.193 ( 0.420 0.000 0.000) 0.420 2.217 ( -3.599 0.000 0.000) 3.599 2.235 ( 2.302 0.000 0.000) 2.302 2.344 ( 3.545 0.000 0.000) 3.545 2.453 ( -5.542 0.000 0.000) 5.542 2.520 ( 1.243 0.000 0.000) 1.243 2.564 ( -1.006 0.000 0.000) 1.006 2.695 ( 1.009 0.000 0.000) 1.009 2.710 ( -1.232 0.000 0.000) 1.232 2.744 ( -0.461 0.000 0.000) 0.461 2.763 ( -0.060 0.000 0.000) 0.060 2.838 ( 0.267 0.000 0.000) 0.267 8.906 ( -0.206 0.000 0.000) 0.206 8.913 ( -0.401 0.000 0.000) 0.401 9.283 ( -1.460 0.000 0.000) 1.460 9.359 ( -1.696 0.000 0.000) 1.696 9.456 ( 1.721 0.000 0.000) 1.721 9.537 ( 0.006 0.000 0.000) 0.006 9.561 ( -0.997 0.000 0.000) 0.997 9.634 ( -0.966 0.000 0.000) 0.966 9.645 ( -1.069 0.000 0.000) 1.069 9.678 ( -1.526 0.000 0.000) 1.526 9.695 ( -0.887 0.000 0.000) 0.887 9.731 ( -0.387 0.000 0.000) 0.387 9.752 ( 0.718 0.000 0.000) 0.718 9.764 ( 0.791 0.000 0.000) 0.791 9.817 ( -0.503 0.000 0.000) 0.503 9.859 ( -0.223 0.000 0.000) 0.223 9.912 ( 0.561 0.000 0.000) 0.561 9.914 ( -0.178 0.000 0.000) 0.178 9.998 ( -0.635 0.000 0.000) 0.635 10.059 ( -0.296 0.000 0.000) 0.296 27.274 ( 4.988 0.000 0.000) 4.988 27.308 ( 1.274 0.000 0.000) 1.274 27.309 ( 2.141 0.000 0.000) 2.141 27.323 ( 1.272 0.000 0.000) 1.272 27.352 ( 3.922 0.000 0.000) 3.922 27.666 ( -1.089 0.000 0.000) 1.089 27.680 ( -1.086 0.000 0.000) 1.086 27.793 ( 0.753 0.000 0.000) 0.753 27.968 ( -1.511 0.000 0.000) 1.511 28.233 ( 1.147 0.000 0.000) 1.147 28.245 ( -1.304 0.000 0.000) 1.304 28.624 ( -6.111 0.000 0.000) 6.111 29.456 ( -0.045 0.000 0.000) 0.045 29.459 ( 0.025 0.000 0.000) 0.025 29.481 ( 0.014 0.000 0.000) 0.014 29.508 ( -0.292 0.000 0.000) 0.292 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( 6.457 0.000 0.000) 6.457 0.489 ( 12.983 0.000 0.000) 12.983 0.570 ( -0.334 0.000 0.000) 0.334 0.662 ( 3.960 0.000 0.000) 3.960 0.768 ( 10.514 0.000 0.000) 10.514 0.819 ( 4.896 0.000 0.000) 4.896 0.890 ( 1.069 0.000 0.000) 1.069 0.956 ( 8.111 0.000 0.000) 8.111 1.087 ( 2.270 0.000 0.000) 2.270 1.098 ( -4.432 0.000 0.000) 4.432 1.166 ( -5.913 0.000 0.000) 5.913 1.179 ( 2.975 0.000 0.000) 2.975 1.183 ( -5.102 0.000 0.000) 5.102 1.383 ( 4.575 0.000 0.000) 4.575 1.387 ( 5.902 0.000 0.000) 5.902 1.554 ( 4.537 0.000 0.000) 4.537 1.558 ( 2.167 0.000 0.000) 2.167 1.574 ( -0.420 0.000 0.000) 0.420 1.747 ( 1.796 0.000 0.000) 1.796 1.898 ( 0.873 0.000 0.000) 0.873 1.979 ( 5.509 0.000 0.000) 5.509 1.992 ( -1.580 0.000 0.000) 1.580 2.036 ( -3.851 0.000 0.000) 3.851 2.135 ( -4.010 0.000 0.000) 4.010 2.167 ( 1.671 0.000 0.000) 1.671 2.203 ( -0.568 0.000 0.000) 0.568 2.254 ( -0.387 0.000 0.000) 0.387 2.360 ( -2.572 0.000 0.000) 2.572 2.402 ( 2.328 0.000 0.000) 2.328 2.546 ( 1.341 0.000 0.000) 1.341 2.548 ( -0.054 0.000 0.000) 0.054 2.667 ( -3.142 0.000 0.000) 3.142 2.704 ( -0.052 0.000 0.000) 0.052 2.734 ( -0.666 0.000 0.000) 0.666 2.756 ( -0.795 0.000 0.000) 0.795 2.835 ( -0.801 0.000 0.000) 0.801 8.901 ( -0.339 0.000 0.000) 0.339 8.903 ( -0.565 0.000 0.000) 0.565 9.247 ( -2.097 0.000 0.000) 2.097 9.306 ( -3.482 0.000 0.000) 3.482 9.494 ( 1.608 0.000 0.000) 1.608 9.534 ( -1.575 0.000 0.000) 1.575 9.537 ( 0.029 0.000 0.000) 0.029 9.609 ( -1.456 0.000 0.000) 1.456 9.610 ( -2.369 0.000 0.000) 2.369 9.639 ( -2.474 0.000 0.000) 2.474 9.685 ( -0.092 0.000 0.000) 0.092 9.703 ( -2.049 0.000 0.000) 2.049 9.772 ( 1.203 0.000 0.000) 1.203 9.786 ( 1.395 0.000 0.000) 1.395 9.822 ( 0.872 0.000 0.000) 0.872 9.854 ( -0.260 0.000 0.000) 0.260 9.910 ( -0.138 0.000 0.000) 0.138 9.922 ( 0.468 0.000 0.000) 0.468 9.986 ( -0.320 0.000 0.000) 0.320 10.055 ( -0.065 0.000 0.000) 0.065 27.344 ( 2.356 0.000 0.000) 2.356 27.359 ( 2.342 0.000 0.000) 2.342 27.373 ( 4.055 0.000 0.000) 4.055 27.396 ( 6.790 0.000 0.000) 6.790 27.443 ( 5.361 0.000 0.000) 5.361 27.635 ( -2.062 0.000 0.000) 2.062 27.649 ( -2.067 0.000 0.000) 2.067 27.816 ( 1.617 0.000 0.000) 1.617 27.931 ( -2.105 0.000 0.000) 2.105 28.195 ( -4.339 0.000 0.000) 4.339 28.260 ( 1.491 0.000 0.000) 1.491 28.485 ( -7.016 0.000 0.000) 7.016 29.453 ( -0.213 0.000 0.000) 0.213 29.457 ( -0.218 0.000 0.000) 0.218 29.482 ( 0.222 0.000 0.000) 0.222 29.503 ( -0.224 0.000 0.000) 0.224 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 5.429 0.000 0.000) 5.429 0.541 ( 0.971 0.000 0.000) 0.971 0.731 ( 10.958 0.000 0.000) 10.958 0.745 ( 4.303 0.000 0.000) 4.303 0.821 ( -6.771 0.000 0.000) 6.771 0.903 ( 2.323 0.000 0.000) 2.323 0.960 ( -5.979 0.000 0.000) 5.979 0.989 ( 6.891 0.000 0.000) 6.891 1.115 ( 3.996 0.000 0.000) 3.996 1.134 ( 2.551 0.000 0.000) 2.551 1.170 ( 5.186 0.000 0.000) 5.186 1.185 ( 7.805 0.000 0.000) 7.805 1.261 ( 7.087 0.000 0.000) 7.087 1.434 ( -0.357 0.000 0.000) 0.357 1.471 ( 1.280 0.000 0.000) 1.280 1.548 ( -3.985 0.000 0.000) 3.985 1.567 ( -3.671 0.000 0.000) 3.671 1.595 ( 2.313 0.000 0.000) 2.313 1.781 ( 2.002 0.000 0.000) 2.002 1.886 ( -0.813 0.000 0.000) 0.813 1.986 ( 0.910 0.000 0.000) 0.910 2.016 ( 1.888 0.000 0.000) 1.888 2.072 ( 3.764 0.000 0.000) 3.764 2.095 ( 0.470 0.000 0.000) 0.470 2.145 ( -4.267 0.000 0.000) 4.267 2.188 ( 0.419 0.000 0.000) 0.419 2.235 ( -0.954 0.000 0.000) 0.954 2.351 ( -0.331 0.000 0.000) 0.331 2.435 ( 1.174 0.000 0.000) 1.174 2.573 ( 2.653 0.000 0.000) 2.653 2.574 ( 1.718 0.000 0.000) 1.718 2.592 ( -4.449 0.000 0.000) 4.449 2.700 ( -0.128 0.000 0.000) 0.128 2.713 ( -1.628 0.000 0.000) 1.628 2.733 ( -1.432 0.000 0.000) 1.432 2.802 ( -2.576 0.000 0.000) 2.576 8.893 ( -0.426 0.000 0.000) 0.426 8.894 ( -0.342 0.000 0.000) 0.342 9.208 ( -1.846 0.000 0.000) 1.846 9.237 ( -3.251 0.000 0.000) 3.251 9.505 ( -1.318 0.000 0.000) 1.318 9.507 ( -0.291 0.000 0.000) 0.291 9.539 ( 0.148 0.000 0.000) 0.148 9.566 ( -1.846 0.000 0.000) 1.846 9.581 ( -1.378 0.000 0.000) 1.378 9.587 ( -2.544 0.000 0.000) 2.544 9.670 ( -1.071 0.000 0.000) 1.071 9.685 ( -0.193 0.000 0.000) 0.193 9.797 ( 1.300 0.000 0.000) 1.300 9.814 ( 1.392 0.000 0.000) 1.392 9.839 ( 0.708 0.000 0.000) 0.708 9.848 ( -0.417 0.000 0.000) 0.417 9.910 ( 0.145 0.000 0.000) 0.145 9.928 ( 0.038 0.000 0.000) 0.038 9.992 ( 0.980 0.000 0.000) 0.980 10.054 ( -0.127 0.000 0.000) 0.127 27.398 ( 3.095 0.000 0.000) 3.095 27.412 ( 3.066 0.000 0.000) 3.066 27.453 ( 3.944 0.000 0.000) 3.944 27.509 ( 4.288 0.000 0.000) 4.288 27.560 ( 6.667 0.000 0.000) 6.667 27.587 ( -2.827 0.000 0.000) 2.827 27.601 ( -2.834 0.000 0.000) 2.834 27.853 ( 1.969 0.000 0.000) 1.969 27.897 ( -1.175 0.000 0.000) 1.175 28.066 ( -8.690 0.000 0.000) 8.690 28.287 ( 1.323 0.000 0.000) 1.323 28.384 ( -3.363 0.000 0.000) 3.363 29.448 ( -0.324 0.000 0.000) 0.324 29.450 ( -0.426 0.000 0.000) 0.426 29.489 ( 0.401 0.000 0.000) 0.401 29.500 ( -0.056 0.000 0.000) 0.056 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 5.712 0.000 0.000) 5.712 0.615 ( 6.126 0.000 0.000) 6.126 0.685 ( -6.710 0.000 0.000) 6.710 0.755 ( -7.245 0.000 0.000) 7.245 0.824 ( 3.841 0.000 0.000) 3.841 0.890 ( -2.720 0.000 0.000) 2.720 0.983 ( 6.837 0.000 0.000) 6.837 1.050 ( 0.153 0.000 0.000) 0.153 1.217 ( 7.360 0.000 0.000) 7.360 1.265 ( 5.086 0.000 0.000) 5.086 1.270 ( 8.613 0.000 0.000) 8.613 1.307 ( 5.380 0.000 0.000) 5.380 1.361 ( -6.494 0.000 0.000) 6.494 1.400 ( -4.260 0.000 0.000) 4.260 1.431 ( -4.666 0.000 0.000) 4.666 1.440 ( -8.366 0.000 0.000) 8.366 1.486 ( 7.372 0.000 0.000) 7.372 1.608 ( -2.527 0.000 0.000) 2.527 1.829 ( 2.694 0.000 0.000) 2.694 1.870 ( -1.313 0.000 0.000) 1.313 2.018 ( 2.081 0.000 0.000) 2.081 2.069 ( -3.310 0.000 0.000) 3.310 2.077 ( 3.331 0.000 0.000) 3.331 2.113 ( 0.104 0.000 0.000) 0.104 2.139 ( 3.004 0.000 0.000) 3.004 2.182 ( -1.182 0.000 0.000) 1.182 2.244 ( 2.366 0.000 0.000) 2.366 2.311 ( -3.549 0.000 0.000) 3.549 2.457 ( 1.486 0.000 0.000) 1.486 2.508 ( -3.772 0.000 0.000) 3.772 2.616 ( 2.617 0.000 0.000) 2.617 2.642 ( 4.051 0.000 0.000) 4.051 2.670 ( -2.690 0.000 0.000) 2.690 2.704 ( -1.741 0.000 0.000) 1.741 2.705 ( 0.680 0.000 0.000) 0.680 2.740 ( -3.332 0.000 0.000) 3.332 8.888 ( -0.112 0.000 0.000) 0.112 8.889 ( -0.185 0.000 0.000) 0.185 9.182 ( -0.593 0.000 0.000) 0.593 9.190 ( -1.450 0.000 0.000) 1.450 9.487 ( -0.424 0.000 0.000) 0.424 9.491 ( -0.810 0.000 0.000) 0.810 9.544 ( 0.461 0.000 0.000) 0.461 9.545 ( -0.334 0.000 0.000) 0.334 9.552 ( -1.036 0.000 0.000) 1.036 9.558 ( -0.944 0.000 0.000) 0.944 9.663 ( 0.227 0.000 0.000) 0.227 9.674 ( -0.780 0.000 0.000) 0.780 9.820 ( 1.059 0.000 0.000) 1.059 9.837 ( 0.871 0.000 0.000) 0.871 9.837 ( -0.710 0.000 0.000) 0.710 9.846 ( -0.059 0.000 0.000) 0.059 9.916 ( 0.419 0.000 0.000) 0.419 9.924 ( -0.356 0.000 0.000) 0.356 10.020 ( 1.575 0.000 0.000) 1.575 10.045 ( -0.919 0.000 0.000) 0.919 27.461 ( 3.412 0.000 0.000) 3.412 27.475 ( 3.382 0.000 0.000) 3.382 27.519 ( 2.681 0.000 0.000) 2.681 27.527 ( -3.304 0.000 0.000) 3.304 27.541 ( -3.292 0.000 0.000) 3.292 27.549 ( -0.089 0.000 0.000) 0.089 27.704 ( 8.259 0.000 0.000) 8.259 27.869 ( -6.166 0.000 0.000) 6.166 27.884 ( 1.044 0.000 0.000) 1.044 27.902 ( -3.424 0.000 0.000) 3.424 28.312 ( 1.275 0.000 0.000) 1.275 28.339 ( -1.652 0.000 0.000) 1.652 29.443 ( -0.143 0.000 0.000) 0.143 29.444 ( -0.227 0.000 0.000) 0.227 29.496 ( 0.277 0.000 0.000) 0.277 29.499 ( -0.078 0.000 0.000) 0.078 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.183 ( 0.000 9.002 0.000) 9.002 0.226 ( 0.000 11.121 0.000) 11.121 0.455 ( 0.000 19.711 0.000) 19.711 0.651 ( 0.000 -2.420 0.000) 2.420 0.710 ( 0.000 2.235 0.000) 2.235 0.806 ( 0.000 6.736 0.000) 6.736 0.855 ( 0.000 8.964 0.000) 8.964 0.945 ( 0.000 -2.132 0.000) 2.132 0.995 ( 0.000 13.149 0.000) 13.149 1.026 ( 0.000 1.400 0.000) 1.400 1.179 ( 0.000 0.424 0.000) 0.424 1.270 ( 0.000 -4.868 0.000) 4.868 1.306 ( 0.000 3.248 0.000) 3.248 1.400 ( 0.000 0.824 0.000) 0.824 1.494 ( 0.000 3.341 0.000) 3.341 1.545 ( 0.000 3.031 0.000) 3.031 1.574 ( 0.000 2.050 0.000) 2.050 1.589 ( 0.000 -2.680 0.000) 2.680 1.695 ( 0.000 2.181 0.000) 2.181 1.717 ( 0.000 3.855 0.000) 3.855 1.792 ( 0.000 -2.872 0.000) 2.872 2.100 ( 0.000 -0.568 0.000) 0.568 2.110 ( 0.000 -0.708 0.000) 0.708 2.112 ( 0.000 -4.815 0.000) 4.815 2.124 ( 0.000 3.969 0.000) 3.969 2.235 ( 0.000 0.118 0.000) 0.118 2.246 ( 0.000 4.330 0.000) 4.330 2.388 ( 0.000 7.741 0.000) 7.741 2.504 ( 0.000 -0.358 0.000) 0.358 2.568 ( 0.000 3.053 0.000) 3.053 2.626 ( 0.000 7.124 0.000) 7.124 2.714 ( 0.000 -0.190 0.000) 0.190 2.755 ( 0.000 2.596 0.000) 2.596 2.791 ( 0.000 0.638 0.000) 0.638 2.849 ( 0.000 1.887 0.000) 1.887 2.855 ( 0.000 5.524 0.000) 5.524 8.951 ( 0.000 3.713 0.000) 3.713 9.141 ( 0.000 1.824 0.000) 1.824 9.279 ( 0.000 -1.754 0.000) 1.754 9.291 ( 0.000 -0.539 0.000) 0.539 9.370 ( 0.000 -0.190 0.000) 0.190 9.535 ( 0.000 -0.259 0.000) 0.259 9.567 ( 0.000 -0.369 0.000) 0.369 9.633 ( 0.000 -0.968 0.000) 0.968 9.644 ( 0.000 -1.079 0.000) 1.079 9.678 ( 0.000 -2.496 0.000) 2.496 9.694 ( 0.000 -0.238 0.000) 0.238 9.718 ( 0.000 -0.815 0.000) 0.815 9.730 ( 0.000 -0.705 0.000) 0.705 9.774 ( 0.000 0.944 0.000) 0.944 9.806 ( 0.000 -1.756 0.000) 1.756 9.865 ( 0.000 0.353 0.000) 0.353 9.883 ( 0.000 -1.871 0.000) 1.871 9.906 ( 0.000 -1.145 0.000) 1.145 9.976 ( 0.000 -0.861 0.000) 0.861 10.063 ( 0.000 -0.159 0.000) 0.159 27.219 ( 0.000 -0.343 0.000) 0.343 27.240 ( 0.000 -0.908 0.000) 0.908 27.262 ( 0.000 -1.110 0.000) 1.110 27.287 ( 0.000 -0.821 0.000) 0.821 27.323 ( 0.000 0.831 0.000) 0.831 27.384 ( 0.000 5.808 0.000) 5.808 27.683 ( 0.000 -0.500 0.000) 0.500 27.814 ( 0.000 2.475 0.000) 2.475 27.960 ( 0.000 -2.212 0.000) 2.212 28.155 ( 0.000 -5.913 0.000) 5.913 28.691 ( 0.000 2.902 0.000) 2.902 28.748 ( 0.000 0.476 0.000) 0.476 29.451 ( 0.000 -0.545 0.000) 0.545 29.453 ( 0.000 -0.237 0.000) 0.237 29.477 ( 0.000 -0.345 0.000) 0.345 29.478 ( 0.000 -0.278 0.000) 0.278 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.154 ( -1.703 3.982 0.000) 4.331 0.286 ( 8.977 4.512 0.000) 10.047 0.565 ( 6.859 13.297 0.000) 14.961 0.662 ( 2.268 -3.595 0.000) 4.251 0.770 ( 5.446 1.837 0.000) 5.748 0.857 ( 1.453 9.977 0.000) 10.082 0.859 ( 5.362 7.024 0.000) 8.837 0.939 ( -1.139 -0.237 0.000) 1.164 1.009 ( 1.294 12.194 0.000) 12.262 1.068 ( 3.639 -2.208 0.000) 4.256 1.170 ( -4.498 -1.388 0.000) 4.707 1.228 ( 0.035 -2.429 0.000) 2.429 1.297 ( -0.839 4.055 0.000) 4.141 1.422 ( 2.261 2.279 0.000) 3.210 1.427 ( -5.783 3.590 0.000) 6.807 1.502 ( -0.390 4.842 0.000) 4.857 1.580 ( -0.797 -1.654 0.000) 1.836 1.585 ( 2.395 2.916 0.000) 3.773 1.730 ( 1.187 2.465 0.000) 2.736 1.790 ( 5.224 0.681 0.000) 5.269 1.842 ( 4.200 -3.248 0.000) 5.309 2.071 ( -2.677 2.560 0.000) 3.704 2.083 ( -0.683 -3.123 0.000) 3.197 2.135 ( 1.884 1.348 0.000) 2.317 2.197 ( -2.770 1.579 0.000) 3.189 2.246 ( 6.660 -4.614 0.000) 8.102 2.271 ( 1.282 3.149 0.000) 3.400 2.380 ( -3.377 4.033 0.000) 5.260 2.467 ( -2.264 3.470 0.000) 4.143 2.546 ( -1.272 2.651 0.000) 2.941 2.603 ( -1.219 5.054 0.000) 5.199 2.693 ( -1.929 -0.360 0.000) 1.963 2.742 ( -2.648 3.099 0.000) 4.077 2.762 ( 0.387 2.323 0.000) 2.355 2.842 ( -0.770 3.920 0.000) 3.995 2.858 ( 0.181 3.352 0.000) 3.357 8.947 ( -0.393 3.564 0.000) 3.585 9.014 ( -5.609 5.940 0.000) 8.170 9.264 ( -1.505 -1.786 0.000) 2.336 9.323 ( -1.114 -2.668 0.000) 2.891 9.414 ( 3.497 -1.715 0.000) 3.895 9.543 ( 0.436 0.006 0.000) 0.436 9.548 ( -1.621 -1.097 0.000) 1.958 9.628 ( -0.677 -0.563 0.000) 0.881 9.635 ( -1.004 -1.037 0.000) 1.443 9.664 ( -1.196 -2.497 0.000) 2.768 9.676 ( -1.436 -0.176 0.000) 1.447 9.720 ( -0.682 -1.073 0.000) 1.272 9.745 ( 1.386 -0.627 0.000) 1.521 9.781 ( 0.812 1.297 0.000) 1.530 9.800 ( -0.166 -1.441 0.000) 1.451 9.867 ( 0.304 0.789 0.000) 0.846 9.889 ( 0.531 -1.825 0.000) 1.900 9.905 ( -0.107 -1.089 0.000) 1.095 9.981 ( 0.011 -1.092 0.000) 1.092 10.063 ( 0.065 0.159 0.000) 0.172 27.235 ( 4.125 -2.385 0.000) 4.765 27.263 ( 0.717 -1.571 0.000) 1.727 27.307 ( 1.501 -0.968 0.000) 1.787 27.363 ( 3.717 1.290 0.000) 3.934 27.407 ( 2.384 5.632 0.000) 6.116 27.443 ( 11.046 -7.333 0.000) 13.258 27.676 ( -0.710 -0.262 0.000) 0.757 27.819 ( 0.480 2.250 0.000) 2.301 27.956 ( -0.542 -2.099 0.000) 2.167 28.170 ( 1.372 -5.715 0.000) 5.878 28.512 ( -13.525 10.417 0.000) 17.072 28.653 ( -6.567 2.270 0.000) 6.949 29.452 ( 0.044 -0.540 0.000) 0.542 29.453 ( -0.032 -0.229 0.000) 0.231 29.477 ( -0.013 -0.297 0.000) 0.298 29.488 ( 0.391 -1.155 0.000) 1.219 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 8.883 -8.640 0.000) 12.392 0.488 ( 11.144 0.653 0.000) 11.163 0.654 ( 1.982 6.617 0.000) 6.907 0.747 ( 6.936 4.056 0.000) 8.035 0.848 ( -1.102 8.269 0.000) 8.342 0.891 ( 6.369 4.052 0.000) 7.549 0.981 ( 3.551 2.816 0.000) 4.532 1.005 ( -2.599 4.958 0.000) 5.598 1.018 ( 8.400 -1.527 0.000) 8.538 1.096 ( 1.416 5.516 0.000) 5.695 1.136 ( 3.364 -1.924 0.000) 3.876 1.191 ( -2.999 2.003 0.000) 3.606 1.269 ( -5.756 5.968 0.000) 8.291 1.385 ( 4.591 -0.137 0.000) 4.593 1.483 ( 3.237 2.027 0.000) 3.819 1.535 ( 2.544 4.371 0.000) 5.058 1.570 ( 0.150 -0.323 0.000) 0.356 1.662 ( 4.421 3.906 0.000) 5.899 1.755 ( 1.284 1.051 0.000) 1.660 1.810 ( -2.740 -2.821 0.000) 3.933 1.921 ( 3.340 -3.507 0.000) 4.843 2.033 ( -0.699 1.951 0.000) 2.073 2.079 ( -0.327 -0.731 0.000) 0.800 2.136 ( -3.505 1.350 0.000) 3.756 2.179 ( 2.226 1.190 0.000) 2.524 2.251 ( -6.922 0.831 0.000) 6.971 2.270 ( -1.280 1.730 0.000) 2.152 2.342 ( 3.634 0.107 0.000) 3.635 2.460 ( 0.337 4.887 0.000) 4.898 2.543 ( 1.033 0.965 0.000) 1.414 2.592 ( 0.023 3.572 0.000) 3.572 2.644 ( -3.120 -0.869 0.000) 3.239 2.705 ( -1.332 1.459 0.000) 1.975 2.763 ( -0.456 1.880 0.000) 1.934 2.818 ( -1.675 4.259 0.000) 4.576 2.854 ( -0.744 2.814 0.000) 2.911 8.936 ( -0.693 3.108 0.000) 3.184 8.946 ( -2.071 3.641 0.000) 4.189 9.226 ( -2.179 -1.899 0.000) 2.891 9.276 ( -3.275 -2.369 0.000) 4.042 9.467 ( 1.732 -1.956 0.000) 2.612 9.514 ( -1.743 -1.767 0.000) 2.482 9.548 ( 0.232 0.394 0.000) 0.457 9.603 ( -2.104 -0.633 0.000) 2.197 9.607 ( -1.396 -0.209 0.000) 1.412 9.640 ( -2.282 0.073 0.000) 2.284 9.645 ( -0.575 -2.749 0.000) 2.809 9.686 ( -2.289 -1.528 0.000) 2.752 9.776 ( 1.661 -0.676 0.000) 1.793 9.808 ( 1.861 2.372 0.000) 3.015 9.810 ( 0.924 -1.107 0.000) 1.442 9.874 ( 0.306 1.521 0.000) 1.552 9.900 ( 0.550 -1.572 0.000) 1.666 9.903 ( -0.031 -0.902 0.000) 0.903 9.978 ( -0.015 -0.619 0.000) 0.619 10.067 ( 0.386 0.880 0.000) 0.961 27.293 ( 2.196 -2.382 0.000) 3.240 27.338 ( 5.611 -3.607 0.000) 6.670 27.345 ( 2.345 -0.936 0.000) 2.525 27.445 ( 4.358 2.892 0.000) 5.231 27.479 ( 5.027 4.278 0.000) 6.601 27.576 ( 2.683 -4.434 0.000) 5.183 27.666 ( 0.251 1.219 0.000) 1.245 27.835 ( 1.197 1.673 0.000) 2.058 27.932 ( -1.974 -1.118 0.000) 2.269 28.202 ( 1.822 -5.227 0.000) 5.536 28.295 ( -9.187 7.656 0.000) 11.959 28.502 ( -8.168 1.543 0.000) 8.313 29.451 ( -0.188 -0.197 0.000) 0.272 29.452 ( -0.127 -0.474 0.000) 0.490 29.478 ( 0.133 -0.384 0.000) 0.406 29.490 ( -0.009 -1.008 0.000) 1.008 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 7.055 -3.357 0.000) 7.813 0.673 ( 0.732 9.683 0.000) 9.711 0.689 ( 8.047 -2.000 0.000) 8.292 0.857 ( 2.367 8.051 0.000) 8.391 0.875 ( -6.036 1.091 0.000) 6.134 0.904 ( 7.943 -4.574 0.000) 9.166 0.964 ( -1.593 5.980 0.000) 6.189 1.051 ( 2.717 6.875 0.000) 7.392 1.121 ( 0.519 0.238 0.000) 0.571 1.177 ( -0.820 3.481 0.000) 3.576 1.197 ( 5.243 -4.226 0.000) 6.733 1.223 ( 9.876 3.173 0.000) 10.373 1.253 ( 7.869 7.901 0.000) 11.152 1.464 ( 1.519 -0.577 0.000) 1.625 1.478 ( -5.160 -3.434 0.000) 6.198 1.554 ( -1.255 8.472 0.000) 8.564 1.594 ( 2.090 -0.171 0.000) 2.097 1.691 ( -3.070 7.714 0.000) 8.303 1.780 ( 1.462 0.388 0.000) 1.513 1.786 ( 2.405 -5.914 0.000) 6.384 1.970 ( 2.086 -1.049 0.000) 2.335 2.042 ( 1.184 -2.741 0.000) 2.985 2.045 ( -2.329 -3.776 0.000) 4.437 2.082 ( -1.161 1.860 0.000) 2.193 2.166 ( -2.093 1.173 0.000) 2.399 2.201 ( -0.592 1.130 0.000) 1.276 2.251 ( 0.407 1.701 0.000) 1.749 2.380 ( -0.259 2.377 0.000) 2.391 2.468 ( 0.429 3.470 0.000) 3.496 2.574 ( -3.933 -0.775 0.000) 4.008 2.582 ( 2.807 1.081 0.000) 3.009 2.606 ( 1.777 2.688 0.000) 3.222 2.692 ( 0.164 0.350 0.000) 0.387 2.741 ( -1.800 0.995 0.000) 2.056 2.779 ( -2.211 3.929 0.000) 4.508 2.824 ( -2.434 3.061 0.000) 3.911 8.919 ( -0.918 2.322 0.000) 2.496 8.922 ( -0.723 2.467 0.000) 2.571 9.185 ( -1.912 -2.024 0.000) 2.784 9.211 ( -3.138 -2.232 0.000) 3.851 9.481 ( -0.129 -2.024 0.000) 2.028 9.485 ( -1.186 -1.816 0.000) 2.169 9.553 ( 0.195 0.665 0.000) 0.693 9.564 ( -1.626 -0.116 0.000) 1.630 9.577 ( -1.604 -0.005 0.000) 1.604 9.594 ( -2.074 0.342 0.000) 2.102 9.638 ( -0.267 -3.074 0.000) 3.085 9.648 ( -1.421 -1.843 0.000) 2.327 9.806 ( 1.358 -0.659 0.000) 1.510 9.826 ( 0.665 -0.984 0.000) 1.188 9.841 ( 1.323 2.817 0.000) 3.112 9.876 ( -0.092 1.616 0.000) 1.618 9.905 ( 0.187 -0.524 0.000) 0.556 9.909 ( 0.331 -0.852 0.000) 0.914 9.992 ( 1.571 0.097 0.000) 1.574 10.073 ( 0.080 1.483 0.000) 1.485 27.343 ( 2.849 -2.909 0.000) 4.072 27.397 ( 3.006 -0.999 0.000) 3.168 27.423 ( 2.578 -4.159 0.000) 4.893 27.529 ( 4.228 4.168 0.000) 5.937 27.571 ( -2.065 -2.395 0.000) 3.163 27.595 ( 6.776 3.444 0.000) 7.601 27.686 ( 0.849 4.895 0.000) 4.968 27.863 ( 1.572 0.977 0.000) 1.850 27.889 ( -1.942 -0.979 0.000) 2.175 28.121 ( -9.361 4.791 0.000) 10.516 28.236 ( 1.649 -4.656 0.000) 4.939 28.371 ( -4.884 -0.875 0.000) 4.962 29.446 ( -0.304 -0.155 0.000) 0.341 29.447 ( -0.331 -0.318 0.000) 0.459 29.483 ( 0.311 -0.543 0.000) 0.626 29.490 ( 0.031 -0.863 0.000) 0.864 ======================= Grid point 13 (10/75) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 7.435 -1.582 0.000) 7.601 0.699 ( -6.210 -1.699 0.000) 6.438 0.703 ( 2.588 7.386 0.000) 7.826 0.772 ( -4.407 4.433 0.000) 6.251 0.918 ( 3.603 6.642 0.000) 7.556 0.983 ( -0.808 3.812 0.000) 3.896 1.022 ( 1.840 5.588 0.000) 5.883 1.027 ( 3.810 -1.329 0.000) 4.035 1.179 ( 2.367 -2.778 0.000) 3.650 1.259 ( 8.615 3.332 0.000) 9.237 1.273 ( -0.676 -3.283 0.000) 3.352 1.324 ( -2.114 -1.195 0.000) 2.429 1.399 ( 1.987 3.739 0.000) 4.234 1.411 ( -0.492 1.946 0.000) 2.007 1.448 ( 2.212 4.547 0.000) 5.057 1.499 ( 1.572 2.992 0.000) 3.380 1.588 ( -6.769 7.687 0.000) 10.242 1.601 ( -2.762 -0.926 0.000) 2.913 1.813 ( 1.657 -0.859 0.000) 1.867 1.827 ( 0.688 -2.623 0.000) 2.712 2.004 ( 1.367 -0.969 0.000) 1.676 2.025 ( -0.679 -3.577 0.000) 3.640 2.072 ( 1.562 -3.731 0.000) 4.045 2.078 ( 0.599 -0.336 0.000) 0.687 2.155 ( 0.616 0.944 0.000) 1.127 2.177 ( -1.384 0.830 0.000) 1.614 2.279 ( 2.250 2.150 0.000) 3.112 2.338 ( -3.365 2.067 0.000) 3.949 2.474 ( 0.473 2.218 0.000) 2.268 2.504 ( -2.798 0.370 0.000) 2.823 2.639 ( 3.006 1.074 0.000) 3.192 2.669 ( 4.182 2.708 0.000) 4.982 2.696 ( -2.701 0.714 0.000) 2.794 2.710 ( 1.533 1.345 0.000) 2.039 2.735 ( -2.343 2.779 0.000) 3.634 2.762 ( -3.753 3.229 0.000) 4.951 8.908 ( -0.188 1.857 0.000) 1.867 8.911 ( -0.398 1.958 0.000) 1.998 9.159 ( -0.642 -2.104 0.000) 2.200 9.165 ( -1.390 -2.157 0.000) 2.566 9.469 ( -0.364 -1.656 0.000) 1.695 9.472 ( -0.512 -1.763 0.000) 1.836 9.543 ( -0.329 -0.093 0.000) 0.342 9.549 ( -0.986 0.009 0.000) 0.986 9.559 ( 0.276 0.993 0.000) 1.030 9.568 ( -0.759 0.728 0.000) 1.051 9.631 ( -0.333 -2.413 0.000) 2.436 9.632 ( -0.293 -2.993 0.000) 3.007 9.826 ( 0.702 -0.606 0.000) 0.927 9.833 ( 0.006 -0.750 0.000) 0.750 9.860 ( 0.721 2.116 0.000) 2.236 9.871 ( -0.450 1.663 0.000) 1.722 9.909 ( 0.236 -0.229 0.000) 0.329 9.912 ( -0.034 -0.350 0.000) 0.352 10.032 ( 2.149 1.111 0.000) 2.419 10.064 ( -1.096 1.611 0.000) 1.948 27.398 ( 2.626 -3.236 0.000) 4.168 27.436 ( -0.977 -3.709 0.000) 3.836 27.458 ( 3.227 -1.259 0.000) 3.464 27.520 ( -3.000 -1.719 0.000) 3.457 27.607 ( 3.813 5.156 0.000) 6.413 27.671 ( -2.419 6.269 0.000) 6.720 27.740 ( 8.123 3.160 0.000) 8.716 27.865 ( -1.781 -0.841 0.000) 1.970 27.888 ( 0.886 0.471 0.000) 1.003 27.941 ( -7.745 3.805 0.000) 8.629 28.267 ( 1.658 -4.023 0.000) 4.351 28.305 ( -2.370 -2.984 0.000) 3.811 29.441 ( -0.153 -0.140 0.000) 0.208 29.441 ( -0.172 -0.192 0.000) 0.258 29.488 ( 0.211 -0.676 0.000) 0.708 29.490 ( -0.020 -0.771 0.000) 0.771 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 0.000 9.874 0.000) 9.874 0.432 ( 0.000 7.594 0.000) 7.594 0.623 ( 0.000 4.824 0.000) 4.824 0.722 ( 0.000 3.734 0.000) 3.734 0.793 ( 0.000 5.403 0.000) 5.403 0.906 ( 0.000 2.251 0.000) 2.251 0.973 ( 0.000 5.667 0.000) 5.667 1.081 ( 0.000 8.109 0.000) 8.109 1.110 ( 0.000 7.874 0.000) 7.874 1.171 ( 0.000 -0.569 0.000) 0.569 1.202 ( 0.000 0.895 0.000) 0.895 1.286 ( 0.000 9.329 0.000) 9.329 1.376 ( 0.000 2.594 0.000) 2.594 1.441 ( 0.000 3.460 0.000) 3.460 1.504 ( 0.000 -5.879 0.000) 5.879 1.515 ( 0.000 -3.597 0.000) 3.597 1.543 ( 0.000 1.683 0.000) 1.683 1.612 ( 0.000 3.587 0.000) 3.587 1.664 ( 0.000 -6.833 0.000) 6.833 1.840 ( 0.000 5.909 0.000) 5.909 1.854 ( 0.000 9.564 0.000) 9.564 1.985 ( 0.000 -7.499 0.000) 7.499 2.087 ( 0.000 -0.784 0.000) 0.784 2.100 ( 0.000 0.019 0.000) 0.019 2.232 ( 0.000 -0.533 0.000) 0.533 2.264 ( 0.000 8.082 0.000) 8.082 2.344 ( 0.000 4.396 0.000) 4.396 2.401 ( 0.000 -2.818 0.000) 2.818 2.598 ( 0.000 0.264 0.000) 0.264 2.617 ( 0.000 4.736 0.000) 4.736 2.754 ( 0.000 3.890 0.000) 3.890 2.804 ( 0.000 2.370 0.000) 2.370 2.838 ( 0.000 5.779 0.000) 5.779 2.840 ( 0.000 11.361 0.000) 11.361 2.922 ( 0.000 4.677 0.000) 4.677 2.972 ( 0.000 5.272 0.000) 5.272 9.039 ( 0.000 4.083 0.000) 4.083 9.190 ( 0.000 2.570 0.000) 2.570 9.233 ( 0.000 -2.494 0.000) 2.494 9.277 ( 0.000 -0.761 0.000) 0.761 9.366 ( 0.000 -0.087 0.000) 0.087 9.522 ( 0.000 -1.144 0.000) 1.144 9.556 ( 0.000 -0.564 0.000) 0.564 9.604 ( 0.000 -1.702 0.000) 1.702 9.610 ( 0.000 -1.961 0.000) 1.961 9.618 ( 0.000 -2.893 0.000) 2.893 9.685 ( 0.000 -0.660 0.000) 0.660 9.696 ( 0.000 -1.365 0.000) 1.365 9.727 ( 0.000 0.398 0.000) 0.398 9.771 ( 0.000 -1.158 0.000) 1.158 9.796 ( 0.000 1.203 0.000) 1.203 9.841 ( 0.000 -1.901 0.000) 1.901 9.865 ( 0.000 -2.619 0.000) 2.619 9.877 ( 0.000 0.891 0.000) 0.891 9.955 ( 0.000 -1.200 0.000) 1.200 10.049 ( 0.000 -1.264 0.000) 1.264 27.210 ( 0.000 -0.448 0.000) 0.448 27.220 ( 0.000 -0.879 0.000) 0.879 27.244 ( 0.000 -0.719 0.000) 0.719 27.269 ( 0.000 -0.928 0.000) 0.928 27.352 ( 0.000 2.175 0.000) 2.175 27.525 ( 0.000 6.938 0.000) 6.938 27.678 ( 0.000 0.192 0.000) 0.192 27.874 ( 0.000 2.781 0.000) 2.781 27.897 ( 0.000 -3.608 0.000) 3.608 28.000 ( 0.000 -8.080 0.000) 8.080 28.751 ( 0.000 2.455 0.000) 2.455 28.760 ( 0.000 0.718 0.000) 0.718 29.441 ( 0.000 -0.324 0.000) 0.324 29.448 ( 0.000 -0.223 0.000) 0.223 29.468 ( 0.000 -0.506 0.000) 0.506 29.469 ( 0.000 -0.504 0.000) 0.504 ======================= Grid point 19 (12/75) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( -12.322 8.249 0.000) 14.828 0.422 ( 4.479 8.268 0.000) 9.403 0.638 ( 3.980 5.649 0.000) 6.911 0.741 ( 1.171 1.263 0.000) 1.723 0.831 ( 4.037 3.770 0.000) 5.524 0.972 ( 5.890 3.087 0.000) 6.650 1.039 ( 0.827 3.027 0.000) 3.138 1.056 ( 2.901 10.439 0.000) 10.834 1.115 ( -5.098 -0.792 0.000) 5.159 1.131 ( 0.882 8.889 0.000) 8.932 1.216 ( 1.144 -0.130 0.000) 1.151 1.270 ( -0.745 8.687 0.000) 8.719 1.393 ( 0.845 4.366 0.000) 4.447 1.446 ( 0.453 1.267 0.000) 1.345 1.454 ( -4.671 -0.556 0.000) 4.704 1.541 ( 3.650 -4.059 0.000) 5.459 1.543 ( 0.095 -1.364 0.000) 1.368 1.601 ( 0.482 3.733 0.000) 3.764 1.717 ( 3.660 -4.989 0.000) 6.187 1.845 ( 0.936 5.364 0.000) 5.445 1.896 ( 1.256 6.410 0.000) 6.532 1.993 ( 1.570 -5.645 0.000) 5.859 2.089 ( -0.177 -0.506 0.000) 0.536 2.154 ( 4.492 -2.463 0.000) 5.123 2.211 ( -1.934 -0.188 0.000) 1.943 2.236 ( -1.763 6.848 0.000) 7.072 2.347 ( -0.365 3.699 0.000) 3.717 2.376 ( -2.714 -2.257 0.000) 3.530 2.574 ( -1.600 1.679 0.000) 2.319 2.603 ( -1.338 3.146 0.000) 3.419 2.723 ( -2.725 3.249 0.000) 4.241 2.774 ( -3.501 10.102 0.000) 10.691 2.804 ( -0.429 1.871 0.000) 1.920 2.850 ( -1.205 8.156 0.000) 8.245 2.927 ( 0.299 5.051 0.000) 5.060 2.967 ( -0.574 5.335 0.000) 5.366 9.031 ( -0.757 3.907 0.000) 3.980 9.118 ( -5.058 4.194 0.000) 6.571 9.217 ( -1.583 -2.515 0.000) 2.971 9.276 ( -1.411 -1.817 0.000) 2.301 9.391 ( 2.111 -0.763 0.000) 2.244 9.522 ( -2.593 -1.122 0.000) 2.825 9.530 ( 0.417 -1.495 0.000) 1.552 9.602 ( -0.544 -1.862 0.000) 1.940 9.609 ( -0.096 -1.346 0.000) 1.349 9.612 ( -0.636 -2.071 0.000) 2.166 9.670 ( -1.239 -0.518 0.000) 1.343 9.689 ( -1.220 -1.663 0.000) 2.063 9.738 ( 1.076 0.123 0.000) 1.083 9.771 ( 0.253 -1.001 0.000) 1.033 9.810 ( 1.594 1.520 0.000) 2.203 9.848 ( 0.471 -1.881 0.000) 1.939 9.865 ( 0.076 -2.501 0.000) 2.502 9.891 ( 1.462 1.484 0.000) 2.084 9.959 ( 0.262 -1.126 0.000) 1.156 10.057 ( 0.848 -0.821 0.000) 1.180 27.208 ( 2.725 -0.311 0.000) 2.743 27.240 ( 0.180 -0.709 0.000) 0.732 27.287 ( 1.442 -1.019 0.000) 1.766 27.346 ( 8.397 -3.246 0.000) 9.003 27.393 ( 3.904 1.967 0.000) 4.371 27.544 ( 1.956 6.718 0.000) 6.997 27.674 ( -0.260 0.295 0.000) 0.393 27.873 ( -0.033 2.469 0.000) 2.469 27.894 ( -0.378 -3.629 0.000) 3.649 28.020 ( 1.846 -7.790 0.000) 8.006 28.649 ( -9.239 4.043 0.000) 10.085 28.699 ( -6.117 1.929 0.000) 6.414 29.442 ( 0.035 -0.347 0.000) 0.349 29.448 ( -0.013 -0.219 0.000) 0.219 29.469 ( 0.033 -0.682 0.000) 0.683 29.469 ( -0.038 -0.557 0.000) 0.559 ======================= Grid point 20 (13/75) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.154 ( 5.544 5.413 0.000) 7.748 0.544 ( 7.522 5.023 0.000) 9.045 0.729 ( 1.974 -0.483 0.000) 2.033 0.798 ( 6.732 4.623 0.000) 8.167 0.943 ( 6.940 1.610 0.000) 7.124 1.000 ( -5.991 -0.274 0.000) 5.998 1.009 ( -0.752 3.615 0.000) 3.692 1.081 ( 3.523 3.745 0.000) 5.141 1.122 ( 0.677 11.163 0.000) 11.184 1.184 ( 5.412 5.114 0.000) 7.446 1.228 ( -1.338 1.821 0.000) 2.259 1.280 ( 3.046 5.252 0.000) 6.072 1.340 ( -4.963 -1.193 0.000) 5.104 1.434 ( 2.558 7.261 0.000) 7.699 1.457 ( -0.080 -2.333 0.000) 2.335 1.551 ( 0.721 -1.879 0.000) 2.013 1.617 ( 3.850 -3.299 0.000) 5.071 1.652 ( 3.875 3.608 0.000) 5.295 1.772 ( 1.985 -1.532 0.000) 2.507 1.882 ( -1.018 3.535 0.000) 3.679 1.889 ( 3.451 2.826 0.000) 4.460 2.005 ( -2.775 -4.337 0.000) 5.149 2.062 ( -2.613 0.793 0.000) 2.731 2.156 ( -3.243 0.712 0.000) 3.320 2.196 ( -1.722 -3.325 0.000) 3.745 2.224 ( 0.327 2.903 0.000) 2.921 2.320 ( -2.065 2.697 0.000) 3.397 2.357 ( 2.820 -0.565 0.000) 2.876 2.560 ( -0.087 2.941 0.000) 2.943 2.583 ( 0.218 2.147 0.000) 2.158 2.660 ( -3.596 2.553 0.000) 4.410 2.720 ( -2.086 9.254 0.000) 9.487 2.782 ( -1.801 0.487 0.000) 1.866 2.805 ( -2.980 7.502 0.000) 8.073 2.922 ( -1.145 5.587 0.000) 5.703 2.950 ( -1.048 5.267 0.000) 5.370 9.010 ( -1.396 3.403 0.000) 3.678 9.032 ( -3.585 4.182 0.000) 5.508 9.177 ( -2.336 -2.612 0.000) 3.504 9.226 ( -3.375 -2.263 0.000) 4.064 9.426 ( 1.202 -1.758 0.000) 2.130 9.475 ( -2.125 -1.589 0.000) 2.654 9.532 ( -0.021 -2.209 0.000) 2.209 9.587 ( -1.255 -0.882 0.000) 1.534 9.598 ( -0.792 -0.835 0.000) 1.151 9.603 ( -0.088 -0.986 0.000) 0.990 9.640 ( -1.730 -0.625 0.000) 1.840 9.647 ( -2.816 -1.349 0.000) 3.122 9.764 ( 1.481 -0.283 0.000) 1.508 9.784 ( 0.966 -1.116 0.000) 1.476 9.851 ( 1.620 0.898 0.000) 1.852 9.854 ( 0.184 -1.923 0.000) 1.932 9.874 ( 1.547 -0.933 0.000) 1.806 9.926 ( 1.750 2.533 0.000) 3.079 9.966 ( 0.698 -0.544 0.000) 0.885 10.080 ( 1.360 0.146 0.000) 1.368 27.257 ( 1.627 -0.979 0.000) 1.899 27.290 ( 4.874 -0.875 0.000) 4.952 27.323 ( 2.203 -1.176 0.000) 2.498 27.487 ( 5.395 1.926 0.000) 5.729 27.487 ( 4.809 -4.000 0.000) 6.255 27.601 ( 4.009 6.244 0.000) 7.420 27.682 ( 1.683 0.497 0.000) 1.755 27.876 ( 0.408 1.847 0.000) 1.892 27.881 ( -0.971 -3.380 0.000) 3.517 28.064 ( 2.507 -7.241 0.000) 7.662 28.444 ( -11.052 5.916 0.000) 12.536 28.543 ( -9.312 2.106 0.000) 9.548 29.442 ( -0.032 -0.361 0.000) 0.362 29.447 ( -0.139 -0.194 0.000) 0.238 29.468 ( -0.013 -0.590 0.000) 0.590 29.469 ( 0.015 -0.884 0.000) 0.884 ======================= Grid point 21 (14/75) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 10.341 -0.932 0.000) 10.383 0.684 ( 5.597 1.978 0.000) 5.936 0.758 ( 2.227 -3.079 0.000) 3.800 0.885 ( -5.058 0.574 0.000) 5.091 0.907 ( 3.602 8.725 0.000) 9.439 1.045 ( 3.440 3.256 0.000) 4.736 1.068 ( 0.070 2.157 0.000) 2.158 1.101 ( 3.609 0.538 0.000) 3.649 1.154 ( 3.859 4.202 0.000) 5.705 1.190 ( -1.638 3.373 0.000) 3.750 1.231 ( -2.749 1.811 0.000) 3.292 1.293 ( 5.351 1.410 0.000) 5.534 1.401 ( 4.966 1.116 0.000) 5.090 1.403 ( -5.017 -2.598 0.000) 5.650 1.499 ( 4.029 7.222 0.000) 8.270 1.567 ( 0.794 -2.656 0.000) 2.772 1.685 ( 1.460 -2.452 0.000) 2.854 1.712 ( 1.554 4.679 0.000) 4.931 1.800 ( 0.891 0.214 0.000) 0.916 1.844 ( -5.864 4.107 0.000) 7.159 1.922 ( 0.306 -5.185 0.000) 5.194 1.966 ( 4.168 1.651 0.000) 4.483 2.007 ( -2.314 0.448 0.000) 2.357 2.110 ( -1.632 0.611 0.000) 1.743 2.158 ( -1.598 -1.371 0.000) 2.106 2.218 ( -1.492 0.292 0.000) 1.520 2.295 ( 0.061 1.990 0.000) 1.991 2.400 ( -0.118 -1.332 0.000) 1.337 2.570 ( 1.036 5.000 0.000) 5.106 2.592 ( -3.133 2.753 0.000) 4.171 2.618 ( 2.651 2.030 0.000) 3.339 2.696 ( -0.087 6.677 0.000) 6.678 2.740 ( -2.372 -0.293 0.000) 2.390 2.758 ( -1.099 5.618 0.000) 5.725 2.881 ( -2.926 5.305 0.000) 6.058 2.919 ( -2.395 5.128 0.000) 5.660 8.979 ( -1.923 3.166 0.000) 3.704 8.981 ( -1.454 2.747 0.000) 3.108 9.133 ( -2.021 -2.730 0.000) 3.396 9.159 ( -3.190 -2.513 0.000) 4.061 9.435 ( -0.138 -2.086 0.000) 2.091 9.443 ( -1.164 -1.766 0.000) 2.115 9.535 ( 0.257 -2.459 0.000) 2.472 9.563 ( -0.860 -0.100 0.000) 0.865 9.583 ( -0.872 0.181 0.000) 0.891 9.593 ( -2.375 -1.217 0.000) 2.668 9.600 ( -0.265 -0.345 0.000) 0.435 9.607 ( -1.493 -1.020 0.000) 1.808 9.792 ( 1.271 -0.545 0.000) 1.383 9.802 ( 0.813 -1.158 0.000) 1.415 9.857 ( 0.125 -1.849 0.000) 1.853 9.859 ( -0.050 -1.352 0.000) 1.353 9.920 ( 1.979 2.230 0.000) 2.982 9.951 ( 0.817 3.282 0.000) 3.382 9.998 ( 2.775 0.429 0.000) 2.808 10.102 ( 0.674 0.987 0.000) 1.195 27.299 ( 2.545 -1.232 0.000) 2.828 27.368 ( 2.626 -1.127 0.000) 2.857 27.372 ( 2.796 -1.385 0.000) 3.120 27.517 ( -0.932 -2.569 0.000) 2.733 27.593 ( 5.398 2.320 0.000) 5.876 27.699 ( 6.069 5.828 0.000) 8.414 27.747 ( 4.071 0.954 0.000) 4.181 27.854 ( -1.873 -2.360 0.000) 3.013 27.888 ( 0.693 1.022 0.000) 1.234 28.112 ( 2.469 -6.519 0.000) 6.971 28.234 ( -10.582 5.400 0.000) 11.880 28.366 ( -8.211 0.571 0.000) 8.230 29.440 ( -0.163 -0.270 0.000) 0.315 29.443 ( -0.253 -0.141 0.000) 0.290 29.469 ( 0.122 -0.740 0.000) 0.750 29.470 ( 0.077 -0.939 0.000) 0.942 ======================= Grid point 22 (15/75) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 7.807 -0.683 0.000) 7.837 0.671 ( -6.484 -0.215 0.000) 6.488 0.817 ( 3.108 1.761 0.000) 3.572 0.850 ( 0.137 2.692 0.000) 2.695 0.976 ( 3.648 1.715 0.000) 4.032 1.028 ( -1.675 0.533 0.000) 1.758 1.093 ( 1.897 4.791 0.000) 5.153 1.119 ( -0.865 1.237 0.000) 1.509 1.159 ( -0.754 1.452 0.000) 1.636 1.216 ( -3.746 -1.963 0.000) 4.229 1.297 ( 3.266 -0.968 0.000) 3.407 1.318 ( 7.756 1.716 0.000) 7.943 1.414 ( -1.819 -0.459 0.000) 1.876 1.440 ( 6.004 1.476 0.000) 6.183 1.553 ( -3.129 -3.048 0.000) 4.368 1.558 ( -10.351 -1.035 0.000) 10.402 1.607 ( 6.175 7.613 0.000) 9.803 1.702 ( -2.958 4.585 0.000) 5.457 1.812 ( 0.756 -0.123 0.000) 0.766 1.819 ( 0.633 0.518 0.000) 0.818 1.962 ( 2.370 -0.659 0.000) 2.460 1.986 ( -0.324 0.433 0.000) 0.541 2.040 ( 3.101 1.024 0.000) 3.266 2.082 ( -1.474 0.501 0.000) 1.557 2.144 ( 0.433 -1.504 0.000) 1.566 2.176 ( -2.442 -1.150 0.000) 2.699 2.315 ( 1.781 0.844 0.000) 1.970 2.363 ( -2.848 -0.330 0.000) 2.867 2.552 ( -0.627 4.236 0.000) 4.282 2.565 ( -1.345 5.740 0.000) 5.895 2.662 ( 1.751 1.607 0.000) 2.377 2.696 ( -1.975 0.194 0.000) 1.985 2.737 ( 3.867 4.310 0.000) 5.791 2.780 ( 3.173 4.482 0.000) 5.491 2.814 ( -3.811 4.502 0.000) 5.899 2.856 ( -3.980 4.854 0.000) 6.278 8.956 ( -0.500 2.433 0.000) 2.484 8.959 ( -0.726 2.317 0.000) 2.428 9.105 ( -0.660 -2.756 0.000) 2.834 9.112 ( -1.427 -2.673 0.000) 3.030 9.429 ( -0.326 -1.809 0.000) 1.838 9.429 ( -0.280 -1.944 0.000) 1.964 9.538 ( 0.245 -1.154 0.000) 1.179 9.553 ( -1.333 -0.253 0.000) 1.357 9.560 ( 0.398 -0.894 0.000) 0.978 9.572 ( -0.706 -1.109 0.000) 1.314 9.589 ( -0.271 -0.474 0.000) 0.546 9.593 ( -0.446 -0.128 0.000) 0.464 9.810 ( 0.556 -0.786 0.000) 0.963 9.813 ( 0.250 -1.022 0.000) 1.052 9.858 ( -0.003 -1.505 0.000) 1.505 9.858 ( -0.018 -1.666 0.000) 1.666 9.946 ( 0.922 3.013 0.000) 3.151 9.957 ( -0.179 3.450 0.000) 3.454 10.059 ( 2.891 1.228 0.000) 3.141 10.099 ( -1.111 1.376 0.000) 1.769 27.350 ( 2.492 -1.293 0.000) 2.808 27.385 ( -0.741 -1.201 0.000) 1.411 27.428 ( 2.874 -1.584 0.000) 3.282 27.480 ( -2.467 -1.884 0.000) 3.104 27.693 ( 4.826 2.717 0.000) 5.538 27.773 ( -2.774 2.676 0.000) 3.854 27.828 ( 5.966 5.084 0.000) 7.839 27.843 ( 1.757 -0.844 0.000) 1.949 27.902 ( 1.669 0.466 0.000) 1.733 28.034 ( -9.707 4.608 0.000) 10.745 28.164 ( 3.014 -5.227 0.000) 6.033 28.239 ( -4.974 -2.692 0.000) 5.656 29.437 ( -0.066 -0.150 0.000) 0.163 29.438 ( -0.162 -0.105 0.000) 0.193 29.471 ( 0.083 -0.884 0.000) 0.888 29.471 ( 0.048 -0.947 0.000) 0.948 ======================= Grid point 27 (16/75) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 6.607 0.000) 6.607 0.593 ( 0.000 10.488 0.000) 10.488 0.729 ( 0.000 -0.981 0.000) 0.981 0.820 ( 0.000 11.109 0.000) 11.109 0.905 ( 0.000 -2.362 0.000) 2.362 0.921 ( 0.000 6.546 0.000) 6.546 1.048 ( 0.000 1.018 0.000) 1.018 1.171 ( 0.000 -4.305 0.000) 4.305 1.173 ( 0.000 1.618 0.000) 1.618 1.177 ( 0.000 2.703 0.000) 2.703 1.327 ( 0.000 6.262 0.000) 6.262 1.351 ( 0.000 -4.514 0.000) 4.514 1.387 ( 0.000 -1.225 0.000) 1.225 1.421 ( 0.000 2.968 0.000) 2.968 1.474 ( 0.000 -1.740 0.000) 1.740 1.501 ( 0.000 1.639 0.000) 1.639 1.575 ( 0.000 0.061 0.000) 0.061 1.582 ( 0.000 1.993 0.000) 1.993 1.692 ( 0.000 2.636 0.000) 2.636 1.813 ( 0.000 -8.089 0.000) 8.089 1.950 ( 0.000 4.319 0.000) 4.319 2.037 ( 0.000 7.338 0.000) 7.338 2.063 ( 0.000 -1.547 0.000) 1.547 2.134 ( 0.000 3.785 0.000) 3.785 2.209 ( 0.000 -1.718 0.000) 1.718 2.338 ( 0.000 -3.334 0.000) 3.334 2.402 ( 0.000 4.341 0.000) 4.341 2.416 ( 0.000 2.445 0.000) 2.445 2.588 ( 0.000 -0.912 0.000) 0.912 2.618 ( 0.000 -2.397 0.000) 2.397 2.851 ( 0.000 4.407 0.000) 4.407 2.864 ( 0.000 3.086 0.000) 3.086 3.012 ( 0.000 8.112 0.000) 8.112 3.018 ( 0.000 4.035 0.000) 4.035 3.043 ( 0.000 7.153 0.000) 7.153 3.058 ( 0.000 2.648 0.000) 2.648 9.106 ( 0.000 2.335 0.000) 2.335 9.183 ( 0.000 -2.159 0.000) 2.159 9.236 ( 0.000 1.606 0.000) 1.606 9.263 ( 0.000 -0.531 0.000) 0.531 9.374 ( 0.000 1.117 0.000) 1.117 9.480 ( 0.000 -2.854 0.000) 2.854 9.547 ( 0.000 -0.248 0.000) 0.248 9.569 ( 0.000 -1.501 0.000) 1.501 9.573 ( 0.000 -1.253 0.000) 1.253 9.574 ( 0.000 -1.271 0.000) 1.271 9.667 ( 0.000 -1.099 0.000) 1.099 9.669 ( 0.000 -0.781 0.000) 0.781 9.742 ( 0.000 0.936 0.000) 0.936 9.766 ( 0.000 0.588 0.000) 0.588 9.808 ( 0.000 -1.253 0.000) 1.253 9.809 ( 0.000 -2.483 0.000) 2.483 9.828 ( 0.000 1.992 0.000) 1.992 9.905 ( 0.000 1.839 0.000) 1.839 9.923 ( 0.000 -1.969 0.000) 1.969 10.009 ( 0.000 -2.439 0.000) 2.439 27.203 ( 0.000 -0.270 0.000) 0.270 27.206 ( 0.000 -0.459 0.000) 0.459 27.233 ( 0.000 -0.228 0.000) 0.228 27.250 ( 0.000 -0.889 0.000) 0.889 27.421 ( 0.000 4.472 0.000) 4.472 27.618 ( 0.000 0.034 0.000) 0.034 27.696 ( 0.000 1.590 0.000) 1.590 27.818 ( 0.000 -3.839 0.000) 3.839 27.873 ( 0.000 -2.258 0.000) 2.258 27.913 ( 0.000 0.639 0.000) 0.639 28.776 ( 0.000 0.713 0.000) 0.713 28.785 ( 0.000 0.757 0.000) 0.757 29.439 ( 0.000 0.138 0.000) 0.138 29.446 ( 0.000 0.019 0.000) 0.019 29.457 ( 0.000 -0.474 0.000) 0.474 29.457 ( 0.000 -0.594 0.000) 0.594 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -6.946 9.509 0.000) 11.776 0.618 ( 2.662 10.176 0.000) 10.519 0.724 ( -0.597 -1.933 0.000) 2.024 0.830 ( 2.092 10.895 0.000) 11.094 0.900 ( 1.528 1.287 0.000) 1.998 0.998 ( 4.855 0.727 0.000) 4.909 1.081 ( 1.716 0.643 0.000) 1.833 1.130 ( -2.262 0.582 0.000) 2.336 1.174 ( -0.705 -2.207 0.000) 2.317 1.192 ( 1.716 2.392 0.000) 2.944 1.325 ( 0.169 5.263 0.000) 5.266 1.346 ( -0.871 -2.830 0.000) 2.961 1.398 ( 0.960 -0.358 0.000) 1.024 1.411 ( -1.678 1.819 0.000) 2.475 1.462 ( 0.075 -1.374 0.000) 1.376 1.546 ( 3.741 2.062 0.000) 4.271 1.565 ( 0.352 3.459 0.000) 3.477 1.641 ( 3.877 -1.741 0.000) 4.250 1.670 ( -1.209 2.414 0.000) 2.699 1.801 ( -1.363 -8.529 0.000) 8.637 1.957 ( 0.802 4.532 0.000) 4.602 2.062 ( 1.394 5.988 0.000) 6.148 2.069 ( 0.440 -1.396 0.000) 1.463 2.148 ( 0.734 1.459 0.000) 1.634 2.197 ( -0.416 -0.806 0.000) 0.907 2.318 ( -1.793 -3.332 0.000) 3.784 2.356 ( -3.500 4.197 0.000) 5.465 2.409 ( -1.526 1.822 0.000) 2.376 2.582 ( -0.133 -0.187 0.000) 0.230 2.612 ( -0.541 -1.271 0.000) 1.381 2.809 ( -3.413 4.199 0.000) 5.411 2.849 ( -1.955 2.134 0.000) 2.894 2.982 ( -2.780 8.387 0.000) 8.836 3.022 ( -2.287 6.581 0.000) 6.967 3.029 ( 0.761 4.211 0.000) 4.279 3.058 ( -0.179 3.062 0.000) 3.067 9.095 ( -1.135 2.147 0.000) 2.429 9.167 ( -1.587 -2.125 0.000) 2.652 9.190 ( -3.853 2.587 0.000) 4.641 9.246 ( -2.112 -1.080 0.000) 2.372 9.386 ( 0.987 0.515 0.000) 1.114 9.479 ( -0.190 -3.042 0.000) 3.048 9.511 ( -2.683 0.137 0.000) 2.687 9.570 ( -0.420 -2.180 0.000) 2.220 9.573 ( 0.122 -0.892 0.000) 0.900 9.579 ( 0.353 -1.080 0.000) 1.136 9.653 ( -1.198 -0.632 0.000) 1.355 9.665 ( -0.593 -0.761 0.000) 0.965 9.749 ( 0.740 0.866 0.000) 1.139 9.766 ( 0.042 0.510 0.000) 0.512 9.813 ( 0.369 -2.315 0.000) 2.344 9.814 ( 0.309 -1.462 0.000) 1.494 9.845 ( 1.805 1.904 0.000) 2.623 9.929 ( 2.312 2.144 0.000) 3.153 9.929 ( 0.697 -1.737 0.000) 1.871 10.027 ( 1.730 -2.002 0.000) 2.646 27.216 ( 2.971 0.975 0.000) 3.127 27.233 ( 0.324 0.097 0.000) 0.338 27.264 ( 1.243 -1.155 0.000) 1.697 27.289 ( 6.122 -2.397 0.000) 6.575 27.455 ( 3.375 4.096 0.000) 5.307 27.637 ( 1.916 0.365 0.000) 1.950 27.693 ( -0.216 1.573 0.000) 1.587 27.814 ( -0.375 -3.845 0.000) 3.863 27.881 ( 0.583 -1.780 0.000) 1.873 27.920 ( 0.909 -0.248 0.000) 0.942 28.706 ( -6.724 1.753 0.000) 6.948 28.729 ( -5.686 0.771 0.000) 5.738 29.439 ( -0.019 0.109 0.000) 0.110 29.445 ( -0.020 0.003 0.000) 0.020 29.456 ( -0.087 -0.488 0.000) 0.496 29.457 ( -0.081 -0.596 0.000) 0.602 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -2.408 11.990 0.000) 12.229 0.693 ( 4.729 8.895 0.000) 10.074 0.702 ( -1.280 -2.748 0.000) 3.032 0.925 ( 7.314 7.975 0.000) 10.821 0.961 ( 4.243 -0.392 0.000) 4.261 1.003 ( -4.039 0.732 0.000) 4.105 1.083 ( -1.029 2.874 0.000) 3.052 1.152 ( -1.531 -1.474 0.000) 2.125 1.171 ( 5.108 -1.304 0.000) 5.272 1.241 ( 2.676 0.144 0.000) 2.680 1.306 ( -3.280 -1.714 0.000) 3.701 1.324 ( -0.906 3.262 0.000) 3.385 1.370 ( -1.120 3.374 0.000) 3.555 1.402 ( -0.825 1.778 0.000) 1.960 1.481 ( 1.112 -3.061 0.000) 3.257 1.587 ( 2.036 4.990 0.000) 5.389 1.615 ( 3.216 1.726 0.000) 3.650 1.683 ( 1.946 -0.489 0.000) 2.007 1.716 ( 3.644 -2.687 0.000) 4.527 1.776 ( -0.252 -7.803 0.000) 7.807 1.986 ( 2.162 4.434 0.000) 4.933 2.041 ( -3.593 3.436 0.000) 4.971 2.069 ( -0.725 -0.139 0.000) 0.738 2.129 ( -2.813 -2.342 0.000) 3.661 2.194 ( -0.409 2.117 0.000) 2.156 2.286 ( -3.387 2.929 0.000) 4.478 2.315 ( 1.873 -2.944 0.000) 3.489 2.360 ( -3.141 0.564 0.000) 3.191 2.597 ( 1.710 1.045 0.000) 2.004 2.611 ( 1.014 0.580 0.000) 1.168 2.735 ( -3.869 3.936 0.000) 5.519 2.797 ( -3.057 0.801 0.000) 3.160 2.916 ( -3.670 7.971 0.000) 8.776 2.958 ( -4.016 5.887 0.000) 7.126 3.029 ( -1.156 4.211 0.000) 4.367 3.047 ( -0.994 3.504 0.000) 3.642 9.064 ( -1.956 1.745 0.000) 2.621 9.109 ( -4.126 2.985 0.000) 5.093 9.126 ( -2.409 -2.084 0.000) 3.186 9.186 ( -3.786 -1.571 0.000) 4.099 9.402 ( 0.579 -0.245 0.000) 0.629 9.461 ( -2.223 0.463 0.000) 2.271 9.474 ( -0.155 -2.912 0.000) 2.916 9.554 ( -1.127 -3.082 0.000) 3.282 9.572 ( -0.283 -0.372 0.000) 0.467 9.588 ( 0.482 -0.707 0.000) 0.856 9.625 ( -1.597 0.080 0.000) 1.599 9.642 ( -1.756 -0.237 0.000) 1.772 9.768 ( 1.080 0.617 0.000) 1.244 9.772 ( 0.631 0.130 0.000) 0.644 9.818 ( 0.163 -1.591 0.000) 1.600 9.821 ( 0.385 -1.876 0.000) 1.915 9.899 ( 3.505 1.602 0.000) 3.854 9.952 ( 1.721 -0.902 0.000) 1.943 9.981 ( 2.624 2.668 0.000) 3.742 10.069 ( 2.352 -1.168 0.000) 2.626 27.251 ( 1.523 0.311 0.000) 1.555 27.295 ( 1.981 -1.407 0.000) 2.430 27.297 ( 4.698 1.421 0.000) 4.908 27.409 ( 5.273 -3.496 0.000) 6.326 27.541 ( 5.157 3.476 0.000) 6.219 27.693 ( 3.941 0.934 0.000) 4.050 27.697 ( 1.073 1.213 0.000) 1.619 27.805 ( -0.447 -3.660 0.000) 3.688 27.890 ( 0.358 -0.329 0.000) 0.486 27.952 ( 2.231 -2.403 0.000) 3.279 28.537 ( -10.161 3.114 0.000) 10.627 28.578 ( -9.386 0.988 0.000) 9.438 29.439 ( -0.043 0.055 0.000) 0.070 29.444 ( -0.110 -0.010 0.000) 0.110 29.454 ( -0.079 -0.528 0.000) 0.534 29.455 ( -0.088 -0.609 0.000) 0.615 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 5.776 6.880 0.000) 8.983 0.701 ( 1.996 -3.195 0.000) 3.767 0.777 ( 2.463 6.716 0.000) 7.153 0.911 ( -4.153 2.112 0.000) 4.659 1.042 ( 2.948 -3.004 0.000) 4.209 1.058 ( -1.374 3.603 0.000) 3.856 1.077 ( 6.843 3.753 0.000) 7.804 1.095 ( -4.077 -4.028 0.000) 5.731 1.216 ( -0.626 1.404 0.000) 1.537 1.248 ( -2.611 -1.654 0.000) 3.091 1.264 ( 0.257 0.451 0.000) 0.519 1.301 ( -0.550 5.267 0.000) 5.296 1.394 ( 2.558 0.408 0.000) 2.590 1.398 ( 1.520 0.480 0.000) 1.594 1.495 ( 0.498 -3.612 0.000) 3.647 1.614 ( -4.959 -6.843 0.000) 8.451 1.647 ( 4.021 5.304 0.000) 6.656 1.737 ( 4.525 0.127 0.000) 4.527 1.773 ( 1.980 -1.929 0.000) 2.764 1.798 ( 0.927 -0.914 0.000) 1.302 1.975 ( -1.265 3.413 0.000) 3.640 2.034 ( 2.457 3.204 0.000) 4.038 2.042 ( -1.370 2.044 0.000) 2.461 2.073 ( -2.194 -2.847 0.000) 3.594 2.182 ( -0.925 3.031 0.000) 3.169 2.225 ( -3.188 0.965 0.000) 3.331 2.310 ( -1.543 -0.870 0.000) 1.771 2.339 ( -0.067 -3.868 0.000) 3.868 2.645 ( 2.930 2.195 0.000) 3.660 2.655 ( 2.897 1.360 0.000) 3.200 2.671 ( -2.451 4.016 0.000) 4.705 2.742 ( -2.379 0.305 0.000) 2.398 2.852 ( -2.535 6.753 0.000) 7.213 2.883 ( -3.093 5.173 0.000) 6.027 2.985 ( -3.240 4.278 0.000) 5.367 3.012 ( -2.746 3.273 0.000) 4.273 9.025 ( -1.906 1.405 0.000) 2.368 9.039 ( -2.910 2.384 0.000) 3.762 9.081 ( -2.075 -2.094 0.000) 2.948 9.112 ( -3.443 -1.863 0.000) 3.915 9.407 ( -0.001 -0.285 0.000) 0.285 9.428 ( -1.242 0.530 0.000) 1.350 9.476 ( 0.387 -2.799 0.000) 2.825 9.530 ( -1.288 -3.369 0.000) 3.606 9.565 ( -0.369 0.278 0.000) 0.462 9.593 ( -0.016 -0.646 0.000) 0.646 9.597 ( -1.229 0.506 0.000) 1.329 9.605 ( -1.710 0.076 0.000) 1.712 9.787 ( 0.739 -0.172 0.000) 0.759 9.788 ( 0.889 0.210 0.000) 0.913 9.822 ( 0.270 -1.495 0.000) 1.519 9.826 ( 0.129 -1.481 0.000) 1.487 9.964 ( 2.804 1.819 0.000) 3.342 10.004 ( 3.620 -0.056 0.000) 3.620 10.021 ( 1.327 3.196 0.000) 3.461 10.107 ( 1.296 -0.556 0.000) 1.410 27.291 ( 2.480 0.352 0.000) 2.505 27.341 ( 2.639 -1.566 0.000) 3.069 27.371 ( 2.348 1.255 0.000) 2.663 27.464 ( 0.391 -2.528 0.000) 2.558 27.645 ( 5.297 3.010 0.000) 6.093 27.747 ( 3.880 -0.235 0.000) 3.887 27.790 ( 5.931 0.732 0.000) 5.976 27.798 ( -0.297 -2.635 0.000) 2.652 27.895 ( 0.221 0.816 0.000) 0.845 28.003 ( 3.098 -3.302 0.000) 4.528 28.329 ( -10.897 3.583 0.000) 11.471 28.384 ( -10.035 0.691 0.000) 10.059 29.437 ( -0.073 0.058 0.000) 0.093 29.441 ( -0.188 0.032 0.000) 0.190 29.454 ( -0.005 -0.612 0.000) 0.612 29.454 ( -0.010 -0.663 0.000) 0.663 ======================= Grid point 31 (20/75) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 7.562 4.138 0.000) 8.620 0.710 ( -7.562 4.132 0.000) 8.617 0.793 ( 6.871 -3.351 0.000) 7.645 0.900 ( -0.636 2.099 0.000) 2.193 0.987 ( -2.787 -3.962 0.000) 4.844 1.022 ( -2.769 1.735 0.000) 3.268 1.090 ( 0.640 -3.374 0.000) 3.434 1.111 ( -1.918 -2.334 0.000) 3.020 1.213 ( 0.601 3.215 0.000) 3.270 1.228 ( -0.313 3.801 0.000) 3.814 1.319 ( 5.502 -1.573 0.000) 5.723 1.325 ( 3.978 2.934 0.000) 4.943 1.401 ( -2.248 0.373 0.000) 2.279 1.448 ( 0.629 -1.528 0.000) 1.652 1.473 ( -6.011 -5.379 0.000) 8.067 1.498 ( -0.859 -2.657 0.000) 2.793 1.730 ( 3.995 3.971 0.000) 5.633 1.785 ( -1.638 2.600 0.000) 3.073 1.797 ( 1.000 -0.700 0.000) 1.220 1.807 ( 1.065 -0.379 0.000) 1.130 1.993 ( 2.063 1.913 0.000) 2.813 2.024 ( -0.733 2.121 0.000) 2.244 2.060 ( 0.862 -2.097 0.000) 2.268 2.072 ( 0.729 0.664 0.000) 0.986 2.161 ( -1.052 3.081 0.000) 3.255 2.165 ( -2.229 1.461 0.000) 2.665 2.299 ( 0.329 -2.333 0.000) 2.356 2.319 ( -1.465 -3.422 0.000) 3.722 2.650 ( 0.367 4.288 0.000) 4.303 2.670 ( -0.781 3.696 0.000) 3.778 2.699 ( 1.158 1.488 0.000) 1.886 2.711 ( -0.770 0.835 0.000) 1.136 2.844 ( 2.089 5.052 0.000) 5.466 2.871 ( 2.273 3.699 0.000) 4.341 2.911 ( -4.077 4.302 0.000) 5.927 2.942 ( -4.164 3.073 0.000) 5.175 8.997 ( -0.751 1.327 0.000) 1.525 9.000 ( -1.077 1.665 0.000) 1.983 9.053 ( -0.604 -2.083 0.000) 2.169 9.062 ( -1.581 -2.009 0.000) 2.557 9.407 ( 0.044 0.086 0.000) 0.096 9.411 ( -0.488 0.405 0.000) 0.634 9.488 ( 0.759 -2.829 0.000) 2.929 9.506 ( -1.137 -3.046 0.000) 3.252 9.562 ( 0.171 0.536 0.000) 0.562 9.573 ( -1.021 0.539 0.000) 1.155 9.588 ( -0.203 -0.118 0.000) 0.235 9.589 ( -0.266 -0.469 0.000) 0.539 9.798 ( 0.373 -0.253 0.000) 0.450 9.799 ( 0.266 -0.136 0.000) 0.299 9.826 ( 0.126 -1.334 0.000) 1.340 9.827 ( 0.023 -1.282 0.000) 1.283 10.008 ( 1.776 2.771 0.000) 3.291 10.030 ( -0.364 3.321 0.000) 3.341 10.073 ( 3.055 -0.013 0.000) 3.055 10.112 ( -0.886 -0.213 0.000) 0.911 27.342 ( 2.625 0.431 0.000) 2.660 27.382 ( -1.075 0.746 0.000) 1.308 27.394 ( 2.772 -1.601 0.000) 3.201 27.443 ( -2.092 -1.711 0.000) 2.703 27.736 ( 3.786 2.021 0.000) 4.292 27.785 ( -1.339 -0.277 0.000) 1.367 27.825 ( 3.484 -1.484 0.000) 3.787 27.869 ( -0.592 -2.905 0.000) 2.965 27.945 ( 7.520 4.736 0.000) 8.887 28.079 ( 5.024 -2.692 0.000) 5.700 28.123 ( -10.180 3.699 0.000) 10.831 28.206 ( -8.026 -0.795 0.000) 8.065 29.436 ( 0.001 0.103 0.000) 0.103 29.438 ( -0.138 0.096 0.000) 0.167 29.454 ( 0.020 -0.702 0.000) 0.702 29.454 ( 0.010 -0.722 0.000) 0.722 ======================= Grid point 36 (21/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.000 -3.686 0.000) 3.686 0.685 ( 0.000 3.686 0.000) 3.686 0.796 ( 0.000 -8.150 0.000) 8.150 0.796 ( 0.000 8.150 0.000) 8.150 1.006 ( 0.000 -5.572 0.000) 5.572 1.006 ( 0.000 5.572 0.000) 5.572 1.053 ( 0.000 -6.089 0.000) 6.089 1.053 ( 0.000 6.089 0.000) 6.089 1.243 ( 0.000 -4.877 0.000) 4.877 1.243 ( 0.000 4.877 0.000) 4.877 1.246 ( 0.000 -4.607 0.000) 4.607 1.246 ( 0.000 4.607 0.000) 4.607 1.448 ( 0.000 -0.619 0.000) 0.619 1.448 ( 0.000 0.619 0.000) 0.619 1.506 ( 0.000 -2.516 0.000) 2.516 1.506 ( 0.000 2.516 0.000) 2.516 1.600 ( 0.000 -0.613 0.000) 0.613 1.600 ( 0.000 0.613 0.000) 0.613 1.705 ( 0.000 -1.071 0.000) 1.071 1.705 ( 0.000 1.071 0.000) 1.071 2.021 ( 0.000 -2.587 0.000) 2.587 2.021 ( 0.000 2.587 0.000) 2.587 2.152 ( 0.000 -3.782 0.000) 3.782 2.152 ( 0.000 3.782 0.000) 3.782 2.246 ( 0.000 -5.574 0.000) 5.574 2.246 ( 0.000 5.574 0.000) 5.574 2.443 ( 0.000 -0.006 0.000) 0.006 2.443 ( 0.000 0.006 0.000) 0.006 2.579 ( 0.000 -0.648 0.000) 0.648 2.579 ( 0.000 0.648 0.000) 0.648 2.902 ( 0.000 -0.147 0.000) 0.147 2.902 ( 0.000 0.147 0.000) 0.147 3.074 ( 0.000 -1.092 0.000) 1.092 3.074 ( 0.000 1.092 0.000) 1.092 3.112 ( 0.000 -0.884 0.000) 0.884 3.112 ( 0.000 0.884 0.000) 0.884 9.144 ( 0.000 -1.625 0.000) 1.625 9.144 ( 0.000 1.625 0.000) 1.625 9.255 ( 0.000 -0.387 0.000) 0.387 9.255 ( 0.000 0.387 0.000) 0.387 9.417 ( 0.000 -2.833 0.000) 2.833 9.417 ( 0.000 2.833 0.000) 2.833 9.548 ( 0.000 -0.463 0.000) 0.463 9.548 ( 0.000 0.463 0.000) 0.463 9.561 ( 0.000 -0.002 0.000) 0.002 9.561 ( 0.000 0.002 0.000) 0.002 9.657 ( 0.000 -0.157 0.000) 0.157 9.657 ( 0.000 0.157 0.000) 0.157 9.767 ( 0.000 -1.551 0.000) 1.551 9.767 ( 0.000 1.551 0.000) 1.551 9.785 ( 0.000 -1.039 0.000) 1.039 9.785 ( 0.000 1.039 0.000) 1.039 9.876 ( 0.000 -2.409 0.000) 2.409 9.876 ( 0.000 2.409 0.000) 2.409 9.954 ( 0.000 -2.700 0.000) 2.700 9.954 ( 0.000 2.700 0.000) 2.700 27.200 ( 0.000 -0.065 0.000) 0.065 27.200 ( 0.000 0.065 0.000) 0.065 27.235 ( 0.000 -0.415 0.000) 0.415 27.235 ( 0.000 0.415 0.000) 0.415 27.533 ( 0.000 -5.930 0.000) 5.930 27.533 ( 0.000 5.930 0.000) 5.930 27.745 ( 0.000 -3.019 0.000) 3.019 27.745 ( 0.000 3.019 0.000) 3.019 27.895 ( 0.000 -2.099 0.000) 2.099 27.895 ( 0.000 2.099 0.000) 2.099 28.788 ( 0.000 -0.340 0.000) 0.340 28.788 ( 0.000 0.340 0.000) 0.340 29.446 ( 0.000 -0.469 0.000) 0.469 29.446 ( 0.000 0.469 0.000) 0.469 29.449 ( 0.000 -0.296 0.000) 0.296 29.449 ( 0.000 0.296 0.000) 0.296 ======================= Grid point 38 (22/75) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -2.994 -5.493 0.000) 6.256 0.652 ( -2.994 5.493 0.000) 6.256 0.821 ( 2.472 -8.172 0.000) 8.538 0.821 ( 2.472 8.172 0.000) 8.538 1.026 ( 2.044 -6.518 0.000) 6.831 1.026 ( 2.044 6.518 0.000) 6.831 1.052 ( -0.188 -4.017 0.000) 4.021 1.052 ( -0.188 4.017 0.000) 4.021 1.246 ( 0.174 -5.471 0.000) 5.474 1.246 ( 0.174 5.471 0.000) 5.474 1.251 ( 0.319 -4.279 0.000) 4.290 1.251 ( 0.319 4.279 0.000) 4.290 1.439 ( -0.759 -0.829 0.000) 1.124 1.439 ( -0.759 0.829 0.000) 1.124 1.535 ( 2.449 -4.970 0.000) 5.541 1.535 ( 2.449 4.970 0.000) 5.541 1.617 ( 1.703 -1.395 0.000) 2.201 1.617 ( 1.703 1.395 0.000) 2.201 1.687 ( -1.520 -1.185 0.000) 1.927 1.687 ( -1.520 1.185 0.000) 1.927 2.029 ( 0.843 -2.536 0.000) 2.672 2.029 ( 0.843 2.536 0.000) 2.672 2.150 ( -1.218 -2.316 0.000) 2.616 2.150 ( -1.218 2.316 0.000) 2.616 2.234 ( -0.295 -4.369 0.000) 4.379 2.234 ( -0.295 4.369 0.000) 4.379 2.414 ( -2.906 -1.347 0.000) 3.204 2.414 ( -2.906 1.347 0.000) 3.204 2.585 ( 0.699 -0.783 0.000) 1.050 2.585 ( 0.699 0.783 0.000) 1.050 2.867 ( -3.219 -0.931 0.000) 3.351 2.867 ( -3.219 0.931 0.000) 3.351 3.084 ( 0.528 -0.729 0.000) 0.900 3.084 ( 0.528 0.729 0.000) 0.900 3.084 ( -2.728 -0.996 0.000) 2.904 3.084 ( -2.728 0.996 0.000) 2.904 9.130 ( -1.445 -1.508 0.000) 2.089 9.130 ( -1.445 1.508 0.000) 2.089 9.226 ( -2.824 -1.072 0.000) 3.021 9.226 ( -2.824 1.072 0.000) 3.021 9.418 ( 0.116 -2.494 0.000) 2.496 9.418 ( 0.116 2.494 0.000) 2.496 9.529 ( -1.714 -1.554 0.000) 2.313 9.529 ( -1.714 1.554 0.000) 2.313 9.566 ( 0.436 -0.190 0.000) 0.476 9.566 ( 0.436 0.190 0.000) 0.476 9.652 ( -0.584 -0.417 0.000) 0.717 9.652 ( -0.584 0.417 0.000) 0.717 9.773 ( 0.631 -1.471 0.000) 1.601 9.773 ( 0.631 1.471 0.000) 1.601 9.786 ( 0.026 -1.241 0.000) 1.241 9.786 ( 0.026 1.241 0.000) 1.241 9.888 ( 1.321 -2.122 0.000) 2.499 9.888 ( 1.321 2.122 0.000) 2.499 9.979 ( 2.370 -2.502 0.000) 3.446 9.979 ( 2.370 2.502 0.000) 3.446 27.243 ( 0.805 -0.800 0.000) 1.135 27.243 ( 0.805 0.800 0.000) 1.135 27.245 ( 4.273 -1.780 0.000) 4.629 27.245 ( 4.273 1.780 0.000) 4.629 27.560 ( 2.682 -5.564 0.000) 6.177 27.560 ( 2.682 5.564 0.000) 6.177 27.741 ( -0.317 -2.992 0.000) 3.008 27.741 ( -0.317 2.992 0.000) 3.008 27.900 ( 0.484 -1.946 0.000) 2.006 27.900 ( 0.484 1.946 0.000) 2.006 28.730 ( -5.737 -0.580 0.000) 5.766 28.730 ( -5.737 0.580 0.000) 5.766 29.445 ( -0.066 -0.453 0.000) 0.458 29.445 ( -0.066 0.453 0.000) 0.458 29.448 ( -0.063 -0.266 0.000) 0.273 29.448 ( -0.063 0.266 0.000) 0.273 ======================= Grid point 40 (23/75) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -2.309 -7.882 0.000) 8.213 0.594 ( -2.309 7.882 0.000) 8.213 0.883 ( 3.573 -7.867 0.000) 8.640 0.883 ( 3.573 7.867 0.000) 8.640 1.038 ( -1.720 -3.201 0.000) 3.634 1.038 ( -1.720 3.201 0.000) 3.634 1.079 ( 2.948 -4.512 0.000) 5.390 1.079 ( 2.948 4.512 0.000) 5.390 1.248 ( 0.113 -3.804 0.000) 3.805 1.248 ( 0.113 3.804 0.000) 3.805 1.257 ( 0.595 -3.327 0.000) 3.379 1.257 ( 0.595 3.327 0.000) 3.379 1.425 ( -0.492 -2.260 0.000) 2.313 1.425 ( -0.492 2.260 0.000) 2.313 1.550 ( -2.333 -7.339 0.000) 7.701 1.550 ( -2.333 7.339 0.000) 7.701 1.663 ( 2.990 -2.694 0.000) 4.025 1.663 ( 2.990 2.694 0.000) 4.025 1.689 ( 3.010 -2.035 0.000) 3.634 1.689 ( 3.010 2.035 0.000) 3.634 2.050 ( 1.193 -1.838 0.000) 2.191 2.050 ( 1.193 1.838 0.000) 2.191 2.090 ( -4.037 -1.655 0.000) 4.363 2.090 ( -4.037 1.655 0.000) 4.363 2.249 ( 1.083 -3.106 0.000) 3.290 2.249 ( 1.083 3.106 0.000) 3.290 2.341 ( -4.188 -2.100 0.000) 4.685 2.341 ( -4.188 2.100 0.000) 4.685 2.612 ( 2.186 -0.413 0.000) 2.225 2.612 ( 2.186 0.413 0.000) 2.225 2.795 ( -3.802 -1.442 0.000) 4.066 2.795 ( -3.802 1.442 0.000) 4.066 3.014 ( -4.240 -0.985 0.000) 4.353 3.014 ( -4.240 0.985 0.000) 4.353 3.081 ( -1.037 -0.456 0.000) 1.133 3.081 ( -1.037 0.456 0.000) 1.133 9.092 ( -2.291 -1.274 0.000) 2.621 9.092 ( -2.291 1.274 0.000) 2.621 9.155 ( -4.134 -1.598 0.000) 4.432 9.155 ( -4.134 1.598 0.000) 4.432 9.421 ( 0.187 -1.932 0.000) 1.941 9.421 ( 0.187 1.932 0.000) 1.941 9.493 ( -1.780 -2.444 0.000) 3.024 9.493 ( -1.780 2.444 0.000) 3.024 9.574 ( 0.307 -0.514 0.000) 0.599 9.574 ( 0.307 0.514 0.000) 0.599 9.633 ( -1.356 -0.519 0.000) 1.452 9.633 ( -1.356 0.519 0.000) 1.452 9.788 ( 0.263 -1.213 0.000) 1.241 9.788 ( 0.263 1.213 0.000) 1.241 9.788 ( 0.771 -1.277 0.000) 1.491 9.788 ( 0.771 1.277 0.000) 1.491 9.929 ( 2.846 -1.277 0.000) 3.119 9.929 ( 2.846 1.277 0.000) 3.119 10.033 ( 2.870 -2.230 0.000) 3.635 10.033 ( 2.870 2.230 0.000) 3.635 27.267 ( 1.730 -1.165 0.000) 2.086 27.267 ( 1.730 1.165 0.000) 2.086 27.343 ( 5.011 -2.790 0.000) 5.735 27.343 ( 5.011 2.790 0.000) 5.735 27.631 ( 4.494 -4.861 0.000) 6.620 27.631 ( 4.494 4.861 0.000) 6.620 27.738 ( 0.175 -2.667 0.000) 2.672 27.738 ( 0.175 2.667 0.000) 2.672 27.915 ( 1.152 -2.005 0.000) 2.313 27.915 ( 1.152 2.005 0.000) 2.313 28.578 ( -9.450 -0.959 0.000) 9.498 28.578 ( -9.450 0.959 0.000) 9.498 29.444 ( -0.084 -0.418 0.000) 0.427 29.444 ( -0.084 0.418 0.000) 0.427 29.447 ( -0.107 -0.236 0.000) 0.259 29.447 ( -0.107 0.236 0.000) 0.259 ======================= Grid point 42 (24/75) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 2.197 -7.545 0.000) 7.858 0.588 ( 2.197 7.545 0.000) 7.858 0.942 ( 1.126 -8.016 0.000) 8.095 0.942 ( 1.126 8.016 0.000) 8.095 0.975 ( -3.656 -3.854 0.000) 5.312 0.975 ( -3.656 3.854 0.000) 5.312 1.107 ( -0.725 -1.181 0.000) 1.386 1.107 ( -0.725 1.181 0.000) 1.386 1.252 ( 0.488 -1.366 0.000) 1.450 1.252 ( 0.488 1.366 0.000) 1.450 1.294 ( 3.356 -5.062 0.000) 6.073 1.294 ( 3.356 5.062 0.000) 6.073 1.428 ( 0.757 -2.605 0.000) 2.712 1.428 ( 0.757 2.605 0.000) 2.712 1.465 ( -5.369 -5.943 0.000) 8.009 1.465 ( -5.369 5.943 0.000) 8.009 1.727 ( 3.286 -2.737 0.000) 4.277 1.727 ( 3.286 2.737 0.000) 4.277 1.770 ( 3.992 -1.935 0.000) 4.436 1.770 ( 3.992 1.935 0.000) 4.436 2.025 ( -2.072 -1.879 0.000) 2.797 2.025 ( -2.072 1.879 0.000) 2.797 2.067 ( 0.325 -0.191 0.000) 0.377 2.067 ( 0.325 0.191 0.000) 0.377 2.256 ( -0.446 -3.877 0.000) 3.902 2.256 ( -0.446 3.877 0.000) 3.902 2.268 ( -3.016 -2.656 0.000) 4.018 2.268 ( -3.016 2.656 0.000) 4.018 2.668 ( 3.262 -0.177 0.000) 3.267 2.668 ( 3.262 0.177 0.000) 3.267 2.732 ( -2.359 -1.629 0.000) 2.867 2.732 ( -2.359 1.629 0.000) 2.867 2.934 ( -3.428 -0.723 0.000) 3.504 2.934 ( -3.428 0.723 0.000) 3.504 3.040 ( -3.056 -0.732 0.000) 3.143 3.040 ( -3.056 0.732 0.000) 3.143 9.048 ( -2.050 -1.133 0.000) 2.342 9.048 ( -2.050 1.133 0.000) 2.342 9.078 ( -3.470 -1.556 0.000) 3.802 9.078 ( -3.470 1.556 0.000) 3.802 9.425 ( 0.291 -1.887 0.000) 1.910 9.425 ( 0.291 1.887 0.000) 1.910 9.464 ( -1.226 -2.723 0.000) 2.986 9.464 ( -1.226 2.723 0.000) 2.986 9.576 ( -0.036 -0.800 0.000) 0.800 9.576 ( -0.036 0.800 0.000) 0.800 9.604 ( -1.427 -0.216 0.000) 1.443 9.604 ( -1.427 0.216 0.000) 1.443 9.796 ( 0.489 -0.956 0.000) 1.074 9.796 ( 0.489 0.956 0.000) 1.074 9.800 ( 0.473 -0.950 0.000) 1.061 9.800 ( 0.473 0.950 0.000) 1.061 9.993 ( 3.543 -0.958 0.000) 3.670 9.993 ( 3.543 0.958 0.000) 3.670 10.078 ( 1.555 -2.187 0.000) 2.684 10.078 ( 1.555 2.187 0.000) 2.684 27.309 ( 2.551 -1.321 0.000) 2.872 27.309 ( 2.551 1.321 0.000) 2.872 27.412 ( 1.648 -2.434 0.000) 2.939 27.412 ( 1.648 2.434 0.000) 2.939 27.725 ( 4.740 -4.500 0.000) 6.536 27.725 ( 4.740 4.500 0.000) 6.536 27.756 ( 1.727 -1.246 0.000) 2.129 27.756 ( 1.727 1.246 0.000) 2.129 27.948 ( 2.453 -2.806 0.000) 3.727 27.948 ( 2.453 2.806 0.000) 3.727 28.380 ( -10.588 -1.267 0.000) 10.664 28.380 ( -10.588 1.267 0.000) 10.664 29.442 ( -0.051 -0.412 0.000) 0.415 29.442 ( -0.051 0.412 0.000) 0.415 29.444 ( -0.107 -0.283 0.000) 0.303 29.444 ( -0.107 0.283 0.000) 0.303 ======================= Grid point 44 (25/75) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 6.947 -6.745 0.000) 9.682 0.681 ( 6.947 6.745 0.000) 9.682 0.832 ( -7.942 -6.800 0.000) 10.455 0.832 ( -7.942 6.800 0.000) 10.455 1.001 ( 2.702 -4.367 0.000) 5.136 1.001 ( 2.702 4.367 0.000) 5.136 1.062 ( -3.254 -2.314 0.000) 3.993 1.062 ( -3.254 2.314 0.000) 3.993 1.276 ( 2.140 -2.548 0.000) 3.328 1.276 ( 2.140 2.548 0.000) 3.328 1.330 ( -2.255 -5.591 0.000) 6.028 1.330 ( -2.255 5.591 0.000) 6.028 1.404 ( 1.414 -3.153 0.000) 3.455 1.404 ( 1.414 3.153 0.000) 3.455 1.436 ( -0.537 -2.773 0.000) 2.825 1.436 ( -0.537 2.773 0.000) 2.825 1.781 ( 2.213 -1.233 0.000) 2.534 1.781 ( 2.213 1.233 0.000) 2.534 1.809 ( -0.216 -0.102 0.000) 0.239 1.809 ( -0.216 0.102 0.000) 0.239 2.024 ( 1.768 -1.376 0.000) 2.241 2.024 ( 1.768 1.376 0.000) 2.241 2.060 ( -1.179 -1.293 0.000) 1.750 2.060 ( -1.179 1.293 0.000) 1.750 2.231 ( -0.666 -3.806 0.000) 3.864 2.231 ( -0.666 3.806 0.000) 3.864 2.238 ( -1.069 -4.042 0.000) 4.181 2.238 ( -1.069 4.042 0.000) 4.181 2.710 ( -0.039 -1.340 0.000) 1.341 2.710 ( -0.039 1.340 0.000) 1.341 2.712 ( 0.653 -0.491 0.000) 0.816 2.712 ( 0.653 0.491 0.000) 0.816 2.908 ( 1.311 -0.600 0.000) 1.442 2.908 ( 1.311 0.600 0.000) 1.442 2.969 ( -4.003 -0.806 0.000) 4.083 2.969 ( -4.003 0.806 0.000) 4.083 9.020 ( -0.620 -1.143 0.000) 1.300 9.020 ( -0.620 1.143 0.000) 1.300 9.029 ( -1.533 -1.305 0.000) 2.013 9.029 ( -1.533 1.305 0.000) 2.013 9.433 ( 0.478 -2.202 0.000) 2.253 9.433 ( 0.478 2.202 0.000) 2.253 9.445 ( -0.771 -2.560 0.000) 2.674 9.445 ( -0.771 2.560 0.000) 2.674 9.576 ( 0.074 -0.737 0.000) 0.741 9.576 ( 0.074 0.737 0.000) 0.741 9.583 ( -0.726 -0.337 0.000) 0.800 9.583 ( -0.726 0.337 0.000) 0.800 9.804 ( 0.289 -0.758 0.000) 0.812 9.804 ( 0.289 0.758 0.000) 0.812 9.806 ( 0.094 -0.714 0.000) 0.720 9.806 ( 0.094 0.714 0.000) 0.720 10.056 ( 2.623 -1.636 0.000) 3.091 10.056 ( 2.623 1.636 0.000) 3.091 10.088 ( -0.606 -2.083 0.000) 2.170 10.088 ( -0.606 2.083 0.000) 2.170 27.363 ( 2.761 -1.373 0.000) 3.084 27.363 ( 2.761 1.373 0.000) 3.084 27.408 ( -1.639 -1.604 0.000) 2.294 27.408 ( -1.639 1.604 0.000) 2.294 27.792 ( 1.469 -1.133 0.000) 1.856 27.792 ( 1.469 1.133 0.000) 1.856 27.793 ( 1.755 -3.544 0.000) 3.954 27.793 ( 1.755 3.544 0.000) 3.954 28.027 ( 6.083 -2.977 0.000) 6.773 28.027 ( 6.083 2.977 0.000) 6.773 28.182 ( -9.477 -1.885 0.000) 9.662 28.182 ( -9.477 1.885 0.000) 9.662 29.442 ( 0.008 -0.423 0.000) 0.423 29.442 ( 0.008 0.423 0.000) 0.423 29.443 ( -0.066 -0.376 0.000) 0.382 29.443 ( -0.066 0.376 0.000) 0.382 ======================= Grid point 81 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 0.000 0.000 10.708) 10.708 0.226 ( 0.000 0.000 12.559) 12.559 0.404 ( 0.000 0.000 22.412) 22.412 0.513 ( 0.000 0.000 -6.691) 6.691 0.620 ( 0.000 0.000 -9.002) 9.002 0.743 ( 0.000 0.000 2.538) 2.538 0.808 ( 0.000 0.000 -0.971) 0.971 0.870 ( 0.000 0.000 1.554) 1.554 0.978 ( 0.000 0.000 0.700) 0.700 1.105 ( 0.000 0.000 6.811) 6.811 1.115 ( 0.000 0.000 -8.709) 8.709 1.263 ( 0.000 0.000 -0.029) 0.029 1.265 ( 0.000 0.000 -0.105) 0.105 1.339 ( 0.000 0.000 -9.737) 9.737 1.369 ( 0.000 0.000 0.337) 0.337 1.382 ( 0.000 0.000 -0.264) 0.264 1.580 ( 0.000 0.000 -1.076) 1.076 1.607 ( 0.000 0.000 -1.769) 1.769 1.734 ( 0.000 0.000 2.661) 2.661 1.800 ( 0.000 0.000 5.827) 5.827 1.845 ( 0.000 0.000 3.669) 3.669 2.033 ( 0.000 0.000 -1.664) 1.664 2.039 ( 0.000 0.000 -5.977) 5.977 2.164 ( 0.000 0.000 -3.046) 3.046 2.188 ( 0.000 0.000 4.588) 4.588 2.236 ( 0.000 0.000 0.420) 0.420 2.250 ( 0.000 0.000 0.324) 0.324 2.331 ( 0.000 0.000 4.212) 4.212 2.408 ( 0.000 0.000 -7.374) 7.374 2.479 ( 0.000 0.000 -2.898) 2.898 2.616 ( 0.000 0.000 4.044) 4.044 2.633 ( 0.000 0.000 4.349) 4.349 2.728 ( 0.000 0.000 0.756) 0.756 2.748 ( 0.000 0.000 -0.226) 0.226 2.827 ( 0.000 0.000 -0.659) 0.659 2.860 ( 0.000 0.000 -2.140) 2.140 8.910 ( 0.000 0.000 0.139) 0.139 8.916 ( 0.000 0.000 -0.137) 0.137 9.301 ( 0.000 0.000 0.443) 0.443 9.345 ( 0.000 0.000 -2.058) 2.058 9.496 ( 0.000 0.000 3.396) 3.396 9.548 ( 0.000 0.000 1.175) 1.175 9.574 ( 0.000 0.000 0.090) 0.090 9.617 ( 0.000 0.000 -2.315) 2.315 9.655 ( 0.000 0.000 -0.066) 0.066 9.671 ( 0.000 0.000 -2.274) 2.274 9.747 ( 0.000 0.000 -0.391) 0.391 9.753 ( 0.000 0.000 1.187) 1.187 9.772 ( 0.000 0.000 2.430) 2.430 9.786 ( 0.000 0.000 0.535) 0.535 9.808 ( 0.000 0.000 -1.643) 1.643 9.849 ( 0.000 0.000 -1.380) 1.380 9.907 ( 0.000 0.000 0.209) 0.209 9.915 ( 0.000 0.000 -0.120) 0.120 10.006 ( 0.000 0.000 1.869) 1.869 10.068 ( 0.000 0.000 -1.086) 1.086 27.226 ( 0.000 0.000 0.376) 0.376 27.246 ( 0.000 0.000 -0.505) 0.505 27.298 ( 0.000 0.000 0.233) 0.233 27.302 ( 0.000 0.000 0.296) 0.296 27.309 ( 0.000 0.000 -0.244) 0.244 27.312 ( 0.000 0.000 -0.195) 0.195 27.679 ( 0.000 0.000 0.220) 0.220 27.688 ( 0.000 0.000 -0.209) 0.209 28.013 ( 0.000 0.000 3.177) 3.177 28.177 ( 0.000 0.000 -4.438) 4.438 28.687 ( 0.000 0.000 3.064) 3.064 28.789 ( 0.000 0.000 -1.783) 1.783 29.456 ( 0.000 0.000 0.038) 0.038 29.458 ( 0.000 0.000 -0.033) 0.033 29.481 ( 0.000 0.000 0.005) 0.005 29.481 ( 0.000 0.000 -0.001) 0.001 ======================= Grid point 82 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 6.353 0.000 7.285) 9.666 0.288 ( 5.307 0.000 7.659) 9.318 0.532 ( 11.793 0.000 16.431) 20.225 0.539 ( 2.642 0.000 -6.055) 6.607 0.683 ( 4.924 0.000 -10.901) 11.962 0.770 ( 2.679 0.000 2.410) 3.604 0.833 ( 2.446 0.000 -0.973) 2.632 0.851 ( -4.886 0.000 0.742) 4.942 0.910 ( 0.885 0.000 -5.065) 5.142 1.155 ( 3.382 0.000 -6.679) 7.487 1.175 ( 5.007 0.000 3.262) 5.976 1.214 ( -4.962 0.000 0.431) 4.980 1.254 ( -3.133 0.000 -2.023) 3.730 1.350 ( 1.033 0.000 3.016) 3.188 1.376 ( 3.570 0.000 -7.936) 8.702 1.427 ( -7.049 0.000 3.874) 8.044 1.432 ( 4.821 0.000 -1.328) 5.001 1.591 ( -3.002 0.000 -2.662) 4.012 1.790 ( 2.034 0.000 4.623) 5.050 1.874 ( 4.852 0.000 4.054) 6.323 1.897 ( 4.487 0.000 2.850) 5.315 2.011 ( -1.328 0.000 -0.660) 1.483 2.053 ( 0.638 0.000 -5.057) 5.097 2.160 ( 0.639 0.000 -3.235) 3.297 2.179 ( -3.381 0.000 1.732) 3.799 2.214 ( -3.628 0.000 -0.443) 3.655 2.260 ( 3.332 0.000 2.965) 4.460 2.375 ( 2.988 0.000 3.106) 4.310 2.496 ( 1.441 0.000 -2.589) 2.963 2.507 ( 2.444 0.000 -8.671) 9.008 2.532 ( -2.497 0.000 3.809) 4.555 2.601 ( -2.928 0.000 2.102) 3.604 2.718 ( -1.151 0.000 0.809) 1.407 2.742 ( -0.588 0.000 -0.315) 0.667 2.823 ( -0.493 0.000 0.443) 0.663 2.842 ( -0.809 0.000 0.416) 0.910 8.907 ( -0.228 0.000 0.113) 0.254 8.912 ( -0.365 0.000 -0.099) 0.378 9.287 ( -1.431 0.000 0.544) 1.531 9.336 ( -1.301 0.000 -1.975) 2.365 9.496 ( 0.519 0.000 3.360) 3.399 9.547 ( -0.077 0.000 1.087) 1.089 9.566 ( -0.955 0.000 0.186) 0.973 9.611 ( -0.644 0.000 -2.073) 2.170 9.641 ( -1.486 0.000 -0.192) 1.498 9.663 ( -0.822 0.000 -1.677) 1.868 9.710 ( -2.140 0.000 0.826) 2.294 9.738 ( -1.712 0.000 -0.105) 1.715 9.776 ( 0.411 0.000 2.205) 2.243 9.777 ( 0.554 0.000 1.489) 1.589 9.814 ( 0.587 0.000 -0.392) 0.706 9.847 ( -0.118 0.000 -1.267) 1.272 9.911 ( 0.278 0.000 0.040) 0.281 9.915 ( 0.056 0.000 -0.005) 0.057 10.006 ( -0.485 0.000 1.109) 1.211 10.054 ( -0.814 0.000 -0.759) 1.113 27.268 ( 4.467 0.000 -0.203) 4.471 27.302 ( 2.683 0.000 -1.065) 2.887 27.311 ( 1.274 0.000 0.233) 1.295 27.321 ( 1.272 0.000 -0.244) 1.295 27.363 ( 5.021 0.000 1.260) 5.177 27.513 ( 13.047 0.000 -12.061) 17.768 27.668 ( -1.088 0.000 0.221) 1.110 27.678 ( -1.086 0.000 -0.210) 1.106 28.011 ( -0.429 0.000 3.467) 3.493 28.183 ( 0.384 0.000 -4.632) 4.648 28.515 ( -13.210 0.000 12.035) 17.870 28.643 ( -7.608 0.000 1.182) 7.699 29.456 ( -0.046 0.000 0.030) 0.055 29.458 ( 0.005 0.000 -0.052) 0.052 29.481 ( 0.053 0.000 0.061) 0.081 29.494 ( 0.420 0.000 -0.943) 1.033 ======================= Grid point 83 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 5.790 0.000 5.031) 7.670 0.411 ( 6.615 0.000 -1.375) 6.756 0.609 ( 4.249 0.000 -5.250) 6.754 0.682 ( -2.602 0.000 -4.226) 4.963 0.795 ( 11.875 0.000 8.375) 14.531 0.842 ( 4.357 0.000 1.861) 4.738 0.863 ( 8.188 0.000 -1.726) 8.368 0.886 ( 1.908 0.000 -0.469) 1.965 1.004 ( 6.365 0.000 -5.045) 8.122 1.103 ( -4.663 0.000 0.732) 4.720 1.160 ( -4.854 0.000 -2.064) 5.274 1.221 ( 3.367 0.000 -0.072) 3.367 1.263 ( -0.051 0.000 6.044) 6.044 1.344 ( 2.537 0.000 -2.122) 3.307 1.418 ( 4.221 0.000 3.407) 5.425 1.471 ( 5.300 0.000 -6.269) 8.210 1.527 ( -3.012 0.000 -5.018) 5.852 1.535 ( 4.424 0.000 -2.155) 4.921 1.803 ( -0.120 0.000 4.285) 4.286 1.913 ( -1.020 0.000 -0.980) 1.415 1.987 ( 4.014 0.000 0.812) 4.096 2.012 ( 1.014 0.000 3.879) 4.009 2.027 ( -2.464 0.000 -0.939) 2.637 2.138 ( -2.868 0.000 0.345) 2.888 2.161 ( 0.853 0.000 -0.652) 1.074 2.172 ( -0.074 0.000 -3.148) 3.149 2.293 ( -0.246 0.000 4.124) 4.131 2.401 ( -4.634 0.000 2.946) 5.491 2.425 ( 2.096 0.000 2.370) 3.164 2.525 ( 1.456 0.000 -2.236) 2.668 2.560 ( -0.522 0.000 0.723) 0.892 2.616 ( 3.536 0.000 -5.772) 6.769 2.680 ( -2.813 0.000 1.257) 3.081 2.726 ( -1.074 0.000 -0.886) 1.392 2.798 ( -1.971 0.000 1.798) 2.668 2.829 ( -1.002 0.000 -0.543) 1.140 8.901 ( -0.360 0.000 0.061) 0.365 8.903 ( -0.519 0.000 -0.011) 0.519 9.250 ( -2.214 0.000 0.412) 2.252 9.291 ( -3.097 0.000 -1.438) 3.414 9.511 ( 0.552 0.000 1.664) 1.754 9.540 ( -1.554 0.000 0.376) 1.599 9.545 ( -0.133 0.000 0.824) 0.834 9.594 ( -1.097 0.000 -1.505) 1.862 9.603 ( -2.265 0.000 -0.203) 2.274 9.635 ( -2.202 0.000 -0.899) 2.379 9.682 ( -0.790 0.000 -0.206) 0.816 9.695 ( -2.209 0.000 -0.765) 2.338 9.788 ( 0.859 0.000 1.670) 1.878 9.802 ( 1.820 0.000 1.829) 2.580 9.836 ( 1.594 0.000 0.817) 1.791 9.845 ( -0.076 0.000 -0.990) 0.992 9.912 ( -0.069 0.000 0.160) 0.174 9.921 ( 0.339 0.000 -0.204) 0.396 9.992 ( -0.684 0.000 0.736) 1.005 10.043 ( -0.363 0.000 -1.302) 1.352 27.346 ( 2.353 0.000 0.229) 2.364 27.357 ( 2.343 0.000 -0.243) 2.355 27.365 ( 4.812 0.000 -0.486) 4.837 27.383 ( 5.561 0.000 -1.010) 5.652 27.479 ( 6.508 0.000 3.415) 7.350 27.637 ( -2.061 0.000 0.222) 2.073 27.647 ( -2.065 0.000 -0.208) 2.076 27.691 ( 6.251 0.000 -9.126) 11.061 27.985 ( -2.369 0.000 4.259) 4.873 28.169 ( -2.869 0.000 -4.466) 5.308 28.342 ( -4.653 0.000 7.822) 9.101 28.488 ( -7.393 0.000 -0.317) 7.400 29.454 ( -0.210 0.000 0.032) 0.212 29.456 ( -0.224 0.000 -0.087) 0.240 29.484 ( 0.248 0.000 0.154) 0.292 29.497 ( 0.038 0.000 -0.528) 0.529 ======================= Grid point 84 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 5.066 0.000 4.228) 6.599 0.524 ( 5.087 0.000 -0.452) 5.107 0.691 ( 3.652 0.000 -5.010) 6.200 0.700 ( 3.558 0.000 -6.282) 7.220 0.848 ( -4.879 0.000 2.236) 5.367 0.905 ( 0.737 0.000 -0.216) 0.768 0.910 ( 3.370 0.000 1.112) 3.548 1.052 ( 4.300 0.000 1.532) 4.564 1.111 ( 3.962 0.000 -0.312) 3.974 1.116 ( 3.877 0.000 -0.693) 3.938 1.121 ( 3.337 0.000 -1.142) 3.527 1.239 ( 5.275 0.000 4.961) 7.241 1.334 ( 5.828 0.000 2.872) 6.497 1.425 ( 1.165 0.000 -4.627) 4.771 1.460 ( -0.975 0.000 2.578) 2.756 1.467 ( -0.492 0.000 -2.369) 2.419 1.552 ( -3.272 0.000 -1.716) 3.695 1.591 ( 5.608 0.000 -5.240) 7.675 1.794 ( -0.407 0.000 3.253) 3.279 1.885 ( -1.071 0.000 -1.108) 1.541 2.016 ( 1.982 0.000 0.072) 1.983 2.028 ( 0.661 0.000 3.928) 3.984 2.043 ( 2.476 0.000 -1.712) 3.010 2.127 ( 1.407 0.000 2.134) 2.556 2.137 ( -3.070 0.000 -1.225) 3.305 2.180 ( 0.600 0.000 -0.859) 1.048 2.256 ( -2.606 0.000 2.421) 3.557 2.344 ( -2.343 0.000 -0.974) 2.537 2.457 ( 1.304 0.000 2.302) 2.646 2.554 ( 1.661 0.000 -2.095) 2.673 2.586 ( 2.800 0.000 1.399) 3.130 2.612 ( -3.977 0.000 2.042) 4.470 2.665 ( 1.737 0.000 -2.711) 3.220 2.697 ( -2.034 0.000 -1.793) 2.711 2.755 ( -2.179 0.000 1.468) 2.627 2.796 ( -2.456 0.000 -0.713) 2.557 8.894 ( -0.401 0.000 0.062) 0.406 8.894 ( -0.343 0.000 0.033) 0.344 9.208 ( -1.951 0.000 0.112) 1.954 9.229 ( -2.962 0.000 -0.797) 3.067 9.503 ( -1.176 0.000 0.154) 1.186 9.513 ( -1.326 0.000 0.047) 1.327 9.542 ( -0.060 0.000 0.427) 0.432 9.564 ( -1.431 0.000 0.303) 1.462 9.571 ( -1.107 0.000 -0.923) 1.441 9.587 ( -2.346 0.000 -0.290) 2.364 9.662 ( -1.168 0.000 -0.693) 1.358 9.672 ( -0.549 0.000 -1.117) 1.244 9.808 ( 1.048 0.000 1.121) 1.534 9.839 ( 1.825 0.000 2.489) 3.086 9.844 ( -0.113 0.000 -0.494) 0.507 9.867 ( 1.384 0.000 2.189) 2.590 9.911 ( 0.052 0.000 0.153) 0.161 9.924 ( -0.005 0.000 -0.369) 0.369 9.987 ( 0.359 0.000 -0.281) 0.456 10.038 ( -0.283 0.000 -1.789) 1.811 27.400 ( 3.087 0.000 0.219) 3.095 27.410 ( 3.067 0.000 -0.240) 3.076 27.455 ( 4.407 0.000 0.355) 4.421 27.492 ( 5.264 0.000 -1.390) 5.445 27.589 ( -2.825 0.000 0.223) 2.833 27.598 ( 5.402 0.000 3.713) 6.555 27.599 ( -2.830 0.000 -0.203) 2.837 27.783 ( 3.500 0.000 -5.929) 6.885 27.931 ( -2.639 0.000 3.148) 4.107 28.058 ( -7.593 0.000 -1.894) 7.825 28.308 ( 0.006 0.000 2.489) 2.489 28.383 ( -3.448 0.000 -0.492) 3.483 29.448 ( -0.324 0.000 0.032) 0.326 29.450 ( -0.394 0.000 -0.047) 0.396 29.490 ( 0.372 0.000 0.133) 0.395 29.498 ( 0.064 0.000 -0.223) 0.232 ======================= Grid point 85 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 5.086 0.000 3.246) 6.034 0.628 ( 5.735 0.000 1.383) 5.899 0.693 ( -4.303 0.000 0.217) 4.309 0.723 ( -2.795 0.000 -3.196) 4.246 0.809 ( 2.330 0.000 -0.946) 2.515 0.870 ( -3.153 0.000 -2.192) 3.840 0.979 ( 4.619 0.000 0.419) 4.637 1.055 ( -2.259 0.000 -0.248) 2.273 1.195 ( 5.020 0.000 -4.118) 6.493 1.223 ( 7.579 0.000 0.600) 7.603 1.258 ( 8.145 0.000 -1.155) 8.227 1.297 ( -4.230 0.000 -5.905) 7.264 1.376 ( 3.196 0.000 2.783) 4.238 1.378 ( -6.474 0.000 1.604) 6.670 1.431 ( -8.068 0.000 -0.992) 8.129 1.445 ( -2.856 0.000 0.767) 2.957 1.542 ( 9.179 0.000 5.163) 10.531 1.654 ( -0.974 0.000 1.652) 1.918 1.816 ( 2.826 0.000 -0.051) 2.826 1.867 ( -1.581 0.000 -0.831) 1.787 2.040 ( 0.988 0.000 2.305) 2.508 2.077 ( 3.244 0.000 0.114) 3.246 2.078 ( -2.687 0.000 0.815) 2.808 2.098 ( 1.912 0.000 -1.093) 2.202 2.152 ( 0.972 0.000 0.908) 1.330 2.177 ( -1.025 0.000 -0.513) 1.146 2.231 ( 0.837 0.000 -1.011) 1.312 2.284 ( -3.698 0.000 -2.789) 4.632 2.483 ( 1.724 0.000 2.750) 3.246 2.534 ( -3.515 0.000 2.794) 4.491 2.595 ( 2.475 0.000 -2.301) 3.379 2.649 ( -2.797 0.000 -2.372) 3.667 2.652 ( 3.656 0.000 1.042) 3.801 2.690 ( 0.778 0.000 -0.854) 1.155 2.720 ( -1.364 0.000 0.817) 1.590 2.738 ( -3.108 0.000 -0.216) 3.116 8.889 ( -0.117 0.000 0.077) 0.141 8.889 ( -0.169 0.000 0.049) 0.176 9.181 ( -0.674 0.000 -0.115) 0.684 9.186 ( -1.299 0.000 -0.350) 1.345 9.484 ( -0.531 0.000 -0.246) 0.586 9.488 ( -0.911 0.000 -0.409) 0.999 9.544 ( 0.249 0.000 -0.012) 0.249 9.548 ( -0.274 0.000 0.422) 0.503 9.553 ( -0.728 0.000 -0.445) 0.853 9.554 ( -0.933 0.000 0.221) 0.959 9.651 ( 0.004 0.000 -0.953) 0.953 9.659 ( -0.690 0.000 -1.299) 1.470 9.827 ( 0.847 0.000 0.664) 1.076 9.839 ( -0.428 0.000 0.142) 0.451 9.869 ( 1.161 0.000 3.078) 3.290 9.881 ( -0.015 0.000 3.187) 3.187 9.914 ( 0.284 0.000 -0.116) 0.307 9.921 ( -0.306 0.000 -0.347) 0.463 10.005 ( 1.263 0.000 -1.490) 1.953 10.027 ( -0.876 0.000 -1.915) 2.106 27.463 ( 3.383 0.000 0.194) 3.389 27.473 ( 3.343 0.000 -0.250) 3.352 27.530 ( -3.259 0.000 0.244) 3.268 27.530 ( 3.066 0.000 1.182) 3.286 27.539 ( -3.270 0.000 -0.187) 3.275 27.558 ( 0.769 0.000 0.621) 0.988 27.701 ( 5.850 0.000 0.108) 5.851 27.805 ( -2.776 0.000 -4.732) 5.486 27.898 ( -0.310 0.000 1.390) 1.424 27.928 ( -4.063 0.000 0.806) 4.142 28.318 ( 0.823 0.000 0.673) 1.063 28.339 ( -1.454 0.000 -0.126) 1.459 29.443 ( -0.144 0.000 0.026) 0.147 29.444 ( -0.210 0.000 0.005) 0.210 29.496 ( 0.235 0.000 0.047) 0.240 29.499 ( -0.019 0.000 -0.057) 0.060 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 0.000 7.993 8.740) 11.844 0.325 ( 0.000 6.489 10.638) 12.461 0.550 ( 0.000 11.155 9.465) 14.629 0.608 ( 0.000 3.515 -4.836) 5.978 0.648 ( 0.000 4.054 -5.829) 7.100 0.802 ( 0.000 -2.014 -0.323) 2.040 0.885 ( 0.000 11.165 2.591) 11.462 0.945 ( 0.000 3.306 -0.416) 3.332 0.986 ( 0.000 8.472 0.373) 8.480 1.090 ( 0.000 0.510 5.717) 5.739 1.150 ( 0.000 3.519 -4.321) 5.572 1.298 ( 0.000 -3.829 2.574) 4.614 1.298 ( 0.000 1.867 -3.107) 3.625 1.329 ( 0.000 0.841 -4.612) 4.689 1.411 ( 0.000 5.922 -5.371) 7.995 1.429 ( 0.000 2.388 -5.906) 6.371 1.607 ( 0.000 0.607 0.818) 1.018 1.622 ( 0.000 3.978 1.642) 4.304 1.689 ( 0.000 -1.872 0.882) 2.070 1.767 ( 0.000 -3.075 0.255) 3.085 1.867 ( 0.000 0.404 7.936) 7.946 2.037 ( 0.000 -5.434 -2.409) 5.945 2.069 ( 0.000 4.775 -2.361) 5.326 2.100 ( 0.000 3.633 -3.350) 4.942 2.154 ( 0.000 -1.300 2.196) 2.552 2.257 ( 0.000 0.166 -1.075) 1.088 2.267 ( 0.000 1.425 3.752) 4.014 2.420 ( 0.000 7.634 2.781) 8.125 2.525 ( 0.000 2.840 -3.918) 4.839 2.567 ( 0.000 6.128 -1.682) 6.355 2.611 ( 0.000 -0.360 -1.267) 1.317 2.626 ( 0.000 2.278 0.980) 2.480 2.771 ( 0.000 3.356 1.660) 3.744 2.792 ( 0.000 3.522 0.209) 3.528 2.846 ( 0.000 2.225 -0.354) 2.253 2.876 ( 0.000 2.453 -0.405) 2.486 8.955 ( 0.000 3.891 0.510) 3.925 9.025 ( 0.000 5.919 -5.228) 7.897 9.296 ( 0.000 -0.469 0.491) 0.679 9.327 ( 0.000 -1.646 -0.607) 1.755 9.439 ( 0.000 -3.199 6.166) 6.947 9.538 ( 0.000 -0.875 0.387) 0.956 9.568 ( 0.000 -0.630 -0.203) 0.662 9.603 ( 0.000 -1.312 -2.183) 2.546 9.655 ( 0.000 -1.367 -1.429) 1.977 9.655 ( 0.000 -0.170 0.209) 0.269 9.704 ( 0.000 -1.827 0.865) 2.021 9.735 ( 0.000 -1.480 0.822) 1.693 9.756 ( 0.000 -0.960 2.137) 2.343 9.784 ( 0.000 0.101 0.985) 0.991 9.788 ( 0.000 -1.602 -1.498) 2.194 9.850 ( 0.000 0.064 -1.586) 1.587 9.889 ( 0.000 -1.502 0.626) 1.627 9.906 ( 0.000 -0.969 -0.115) 0.976 9.997 ( 0.000 -0.809 1.986) 2.145 10.058 ( 0.000 -0.553 -0.772) 0.950 27.218 ( 0.000 -0.498 -0.005) 0.498 27.231 ( 0.000 -0.985 -0.679) 1.197 27.275 ( 0.000 -0.976 1.012) 1.406 27.294 ( 0.000 -1.206 0.266) 1.235 27.338 ( 0.000 1.696 1.349) 2.167 27.378 ( 0.000 5.281 -0.714) 5.329 27.685 ( 0.000 -0.016 0.305) 0.305 27.746 ( 0.000 4.116 -4.402) 6.027 27.986 ( 0.000 -2.432 2.707) 3.639 28.121 ( 0.000 -5.099 -3.526) 6.199 28.713 ( 0.000 2.172 2.184) 3.080 28.768 ( 0.000 -0.606 0.570) 0.832 29.452 ( 0.000 -0.493 0.033) 0.494 29.453 ( 0.000 -0.268 -0.028) 0.270 29.477 ( 0.000 -0.330 0.015) 0.330 29.478 ( 0.000 -0.275 -0.006) 0.275 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.11 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.260 ( -3.318 3.211 9.928) 10.949 0.391 ( 5.311 4.420 8.855) 11.232 0.605 ( 2.592 0.057 -5.631) 6.199 0.642 ( 6.364 8.551 6.794) 12.640 0.716 ( 4.388 4.457 -7.193) 9.532 0.795 ( 2.146 -0.396 -1.320) 2.550 0.897 ( -1.749 9.004 1.366) 9.273 0.941 ( 2.890 5.883 1.790) 6.794 0.990 ( 1.571 11.349 -1.125) 11.512 1.135 ( 3.096 -1.392 5.704) 6.637 1.174 ( 1.919 2.280 -3.205) 4.377 1.237 ( -3.858 -1.294 1.577) 4.364 1.296 ( -3.084 2.791 0.221) 4.166 1.342 ( 2.296 -1.139 -7.400) 7.831 1.391 ( 0.408 5.666 -2.976) 6.413 1.439 ( -0.335 1.126 -3.412) 3.608 1.558 ( -0.469 3.498 -0.099) 3.531 1.605 ( -1.098 4.489 -1.007) 4.729 1.745 ( 2.942 -3.493 2.267) 5.098 1.840 ( 4.048 -2.015 0.645) 4.567 1.888 ( 2.041 -1.350 5.968) 6.450 2.036 ( -0.335 0.181 -0.198) 0.429 2.067 ( -0.023 -0.198 -3.099) 3.105 2.113 ( 1.377 3.547 -1.666) 4.153 2.214 ( -0.243 1.068 0.131) 1.103 2.247 ( 2.716 -0.852 2.676) 3.906 2.275 ( 1.027 0.631 -1.096) 1.629 2.408 ( -3.149 3.766 1.113) 5.034 2.509 ( -2.641 3.965 -0.124) 4.766 2.528 ( -0.286 1.016 0.512) 1.173 2.580 ( -1.579 0.945 -0.351) 1.874 2.635 ( -0.131 5.477 -3.695) 6.608 2.752 ( -1.674 3.145 2.114) 4.143 2.787 ( -0.389 3.407 0.857) 3.535 2.845 ( -0.441 1.294 -0.269) 1.393 2.862 ( -0.950 3.433 -0.126) 3.564 8.951 ( -0.485 3.701 0.376) 3.751 8.987 ( -2.688 5.296 -1.969) 6.257 9.274 ( -1.869 -1.193 0.888) 2.389 9.315 ( -1.552 -1.785 -1.074) 2.598 9.456 ( 1.436 -2.571 3.752) 4.769 9.542 ( -0.478 -1.488 -0.295) 1.591 9.551 ( -0.760 -0.542 0.349) 0.996 9.602 ( -0.387 -0.891 -1.868) 2.105 9.640 ( -1.408 -0.382 -0.221) 1.475 9.649 ( -0.608 -1.006 -0.579) 1.310 9.690 ( -1.314 -1.311 0.660) 1.970 9.722 ( -1.672 -1.396 -0.364) 2.209 9.759 ( 0.651 -0.826 1.626) 1.937 9.789 ( 0.406 -0.008 0.575) 0.703 9.800 ( 1.419 -0.684 0.314) 1.606 9.853 ( 0.351 0.427 -1.487) 1.586 9.893 ( 0.364 -1.475 0.422) 1.577 9.906 ( 0.014 -0.922 -0.030) 0.923 9.997 ( -0.255 -0.730 1.603) 1.780 10.055 ( -0.211 -0.046 -0.976) 0.999 27.231 ( 2.922 -1.811 0.076) 3.439 27.262 ( 1.585 -1.445 -0.696) 2.254 27.321 ( 2.713 -1.118 1.686) 3.384 27.371 ( 3.897 1.496 0.858) 4.262 27.396 ( 3.066 3.834 -1.294) 5.077 27.422 ( 8.932 -3.167 -1.948) 9.675 27.679 ( -0.625 0.290 0.399) 0.796 27.748 ( 0.217 4.249 -4.784) 6.402 27.985 ( -0.154 -2.417 2.994) 3.851 28.131 ( 0.906 -4.834 -3.832) 6.235 28.588 ( -11.562 4.711 5.480) 13.634 28.664 ( -7.435 1.718 0.632) 7.657 29.452 ( 0.032 -0.489 0.020) 0.491 29.453 ( -0.024 -0.258 -0.021) 0.260 29.477 ( 0.008 -0.323 0.016) 0.324 29.483 ( 0.313 -0.755 -0.359) 0.892 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.22 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 6.302 -6.207 4.429) 9.893 0.514 ( 6.631 4.189 2.659) 8.282 0.692 ( 4.861 3.595 -2.093) 6.398 0.705 ( -0.295 -0.172 -9.747) 9.753 0.798 ( 5.051 6.098 6.088) 9.989 0.889 ( 7.046 2.919 -1.824) 7.842 0.917 ( 4.985 5.193 0.729) 7.235 1.003 ( 0.005 7.141 -0.414) 7.153 1.080 ( 7.532 8.907 1.575) 11.771 1.137 ( -2.302 0.530 3.113) 3.908 1.177 ( -2.925 2.871 0.057) 4.099 1.207 ( 3.111 -1.643 5.122) 6.214 1.269 ( -1.645 2.975 -0.744) 3.480 1.352 ( 1.651 1.638 -2.560) 3.459 1.430 ( 3.731 -1.986 -5.286) 6.768 1.476 ( 3.347 1.192 -5.163) 6.267 1.559 ( 0.457 4.920 0.489) 4.966 1.640 ( 3.253 7.431 -3.331) 8.769 1.770 ( 0.102 -3.604 3.149) 4.786 1.858 ( -1.708 -2.454 1.369) 3.289 1.936 ( 2.305 -2.875 2.082) 4.232 2.034 ( 0.207 1.283 1.752) 2.181 2.061 ( -0.771 -0.889 -2.647) 2.897 2.144 ( 1.002 3.566 -0.562) 3.746 2.170 ( -2.193 0.952 0.642) 2.476 2.247 ( -4.211 1.571 -0.606) 4.535 2.292 ( -0.967 1.548 1.505) 2.365 2.353 ( 1.003 -3.075 0.918) 3.362 2.489 ( -0.103 5.059 2.939) 5.851 2.542 ( 1.405 0.582 -0.280) 1.546 2.558 ( -0.145 0.459 -1.888) 1.948 2.630 ( -0.516 3.622 -3.213) 4.869 2.716 ( -1.818 2.570 2.578) 4.069 2.775 ( -0.901 3.436 0.702) 3.621 2.818 ( -2.085 1.799 -0.129) 2.757 2.845 ( -1.134 2.789 -1.019) 3.178 8.938 ( -0.773 3.165 0.146) 3.261 8.945 ( -1.669 3.532 -0.182) 3.911 9.231 ( -2.406 -1.695 0.573) 2.998 9.267 ( -3.141 -2.031 -0.998) 3.871 9.481 ( 0.774 -2.283 1.359) 2.768 9.514 ( -1.562 -2.201 -0.148) 2.703 9.551 ( 0.068 0.055 0.397) 0.407 9.585 ( -1.303 -0.635 -1.333) 1.969 9.605 ( -1.960 0.066 -0.018) 1.961 9.631 ( -1.480 -0.462 -0.602) 1.664 9.660 ( -1.420 -1.524 0.590) 2.165 9.680 ( -2.197 -1.404 -0.679) 2.694 9.779 ( 1.186 -0.867 0.644) 1.604 9.801 ( 0.828 -0.468 0.459) 1.056 9.841 ( 2.568 0.719 1.494) 3.057 9.863 ( 0.702 1.137 -0.890) 1.605 9.902 ( 0.571 -1.018 0.235) 1.190 9.907 ( 0.108 -0.728 0.175) 0.756 9.987 ( -0.496 -0.290 1.180) 1.312 10.053 ( 0.084 0.753 -1.527) 1.704 27.289 ( 2.785 -2.418 -0.090) 3.689 27.316 ( 3.395 -1.949 -1.226) 4.102 27.386 ( 3.958 -1.504 2.925) 5.146 27.451 ( 3.895 4.085 0.139) 5.646 27.477 ( 5.599 1.667 0.346) 5.852 27.561 ( 3.860 -4.059 -1.890) 5.912 27.670 ( 0.237 1.738 0.581) 1.848 27.762 ( 1.498 3.743 -5.592) 6.894 27.970 ( -1.643 -1.726 3.614) 4.329 28.142 ( -0.430 -3.373 -4.939) 5.996 28.381 ( -8.501 3.886 6.477) 11.372 28.502 ( -8.399 1.374 -0.409) 8.521 29.451 ( -0.180 -0.236 -0.002) 0.297 29.452 ( -0.137 -0.402 -0.012) 0.425 29.479 ( 0.154 -0.434 0.075) 0.467 29.487 ( 0.098 -0.849 -0.319) 0.912 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 7.629 -3.617 2.237) 8.734 0.637 ( 5.806 2.553 -2.769) 6.921 0.690 ( 0.430 3.825 -3.051) 4.911 0.778 ( 2.947 5.022 -3.574) 6.832 0.885 ( 1.376 3.893 2.350) 4.751 0.970 ( 0.089 4.671 -0.072) 4.672 0.980 ( 0.292 0.788 3.606) 3.702 1.040 ( 3.418 3.623 0.585) 5.015 1.116 ( 1.716 1.022 0.147) 2.002 1.150 ( 1.893 3.507 -1.439) 4.237 1.182 ( 3.664 4.495 -1.132) 5.909 1.262 ( 3.031 0.594 3.009) 4.312 1.335 ( 9.088 2.559 6.107) 11.245 1.399 ( -0.865 -1.262 -5.218) 5.438 1.453 ( 1.016 -1.035 -1.895) 2.386 1.561 ( -1.094 5.644 -0.412) 5.764 1.578 ( 3.528 2.667 -2.040) 4.870 1.643 ( -1.697 4.702 -4.600) 6.793 1.779 ( 0.821 -0.881 3.091) 3.317 1.833 ( -0.047 -3.089 1.192) 3.311 1.976 ( 2.033 -1.467 0.617) 2.582 2.033 ( -1.338 -2.345 -1.660) 3.169 2.042 ( 0.672 -1.437 1.220) 2.001 2.115 ( -2.378 -1.094 1.843) 3.201 2.155 ( -0.267 2.146 -0.580) 2.239 2.199 ( -0.717 0.949 -0.325) 1.232 2.263 ( -1.397 1.187 1.629) 2.453 2.356 ( -1.579 1.229 -2.458) 3.170 2.497 ( 0.655 3.827 2.879) 4.834 2.569 ( 0.954 -0.188 -0.127) 0.981 2.587 ( 2.882 0.578 -0.417) 2.969 2.606 ( -1.449 2.179 -0.301) 2.634 2.695 ( -0.099 1.919 1.096) 2.212 2.748 ( -1.897 2.910 0.465) 3.505 2.773 ( -2.423 2.218 -0.566) 3.334 2.811 ( -2.431 2.643 -1.432) 3.866 8.920 ( -0.877 2.379 0.137) 2.539 8.923 ( -0.736 2.479 0.032) 2.587 9.186 ( -2.059 -1.934 0.179) 2.830 9.205 ( -2.946 -2.092 -0.614) 3.665 9.481 ( -0.622 -1.972 0.198) 2.077 9.489 ( -0.986 -2.088 0.152) 2.314 9.548 ( -0.548 0.091 -0.448) 0.714 9.558 ( -1.141 -0.428 -0.691) 1.400 9.572 ( -1.227 0.466 0.132) 1.319 9.592 ( -2.024 0.316 -0.302) 2.071 9.641 ( -0.745 -2.216 0.061) 2.338 9.646 ( -1.189 -1.468 -0.194) 1.899 9.800 ( 0.922 -0.860 -0.410) 1.326 9.816 ( 0.602 -0.939 0.147) 1.125 9.877 ( 0.962 0.612 0.980) 1.503 9.890 ( 1.767 2.003 2.180) 3.448 9.909 ( 0.112 -1.086 0.165) 1.104 9.915 ( 0.559 0.923 0.894) 1.401 9.987 ( 0.686 0.088 -0.231) 0.730 10.055 ( -0.077 1.357 -2.050) 2.459 27.345 ( 3.058 -2.785 0.385) 4.154 27.380 ( 3.214 -1.862 -1.286) 3.931 27.451 ( 2.046 -2.987 2.392) 4.339 27.524 ( 2.825 2.346 -0.951) 3.793 27.570 ( 1.147 -0.225 0.561) 1.296 27.599 ( 4.634 2.987 0.100) 5.514 27.694 ( 1.533 4.504 1.018) 4.865 27.806 ( 2.725 1.710 -4.816) 5.792 27.923 ( -2.902 -0.932 3.158) 4.389 28.077 ( -6.552 1.033 -4.192) 7.847 28.283 ( -1.674 -1.663 4.028) 4.668 28.370 ( -4.821 -0.846 -0.429) 4.913 29.446 ( -0.300 -0.184 0.011) 0.352 29.447 ( -0.314 -0.268 -0.003) 0.413 29.483 ( 0.296 -0.587 0.072) 0.661 29.488 ( 0.107 -0.814 -0.156) 0.835 ======================= Grid point 94 (35/75) ======================= q-point: ( 0.44 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 7.063 -1.880 2.264) 7.652 0.687 ( -2.597 -1.648 -1.540) 3.440 0.722 ( 2.616 6.687 1.619) 7.360 0.776 ( -2.581 5.751 0.087) 6.304 0.896 ( 2.069 5.975 -0.838) 6.378 0.957 ( -3.108 5.299 -2.993) 6.834 0.982 ( 3.260 0.592 -1.117) 3.497 1.049 ( -1.948 0.730 -1.498) 2.564 1.164 ( 3.881 -1.064 0.342) 4.039 1.246 ( -0.441 -0.872 -1.722) 1.980 1.277 ( 5.527 2.873 0.089) 6.229 1.333 ( 5.344 3.185 -2.926) 6.875 1.367 ( 3.352 0.450 3.312) 4.734 1.437 ( -2.551 -0.208 0.075) 2.561 1.452 ( -5.898 5.585 0.907) 8.173 1.504 ( -4.194 3.239 -2.341) 5.793 1.566 ( 5.805 3.011 3.830) 7.579 1.668 ( -1.193 1.744 1.454) 2.565 1.802 ( 2.167 -0.782 0.385) 2.336 1.836 ( -0.585 -2.147 0.163) 2.231 2.009 ( 1.412 -1.970 0.582) 2.492 2.032 ( -0.003 -4.093 0.436) 4.117 2.060 ( 1.162 -1.710 -0.653) 2.168 2.081 ( -0.879 -1.675 -0.074) 1.894 2.159 ( 0.704 0.875 0.545) 1.249 2.179 ( -1.248 0.572 0.109) 1.377 2.260 ( 0.998 2.116 -1.482) 2.769 2.303 ( -3.178 1.834 -3.206) 4.872 2.509 ( 0.808 2.372 3.382) 4.209 2.540 ( -2.357 0.812 3.250) 4.096 2.631 ( 2.595 2.226 -1.311) 3.662 2.650 ( 2.531 1.292 -1.743) 3.333 2.702 ( 0.097 2.352 0.203) 2.363 2.713 ( -0.526 1.770 0.618) 1.947 2.732 ( -1.573 1.971 -0.427) 2.557 2.752 ( -3.454 2.587 -0.939) 4.416 8.910 ( -0.217 1.902 0.131) 1.918 8.911 ( -0.366 1.973 0.057) 2.008 9.157 ( -0.730 -2.055 -0.079) 2.183 9.162 ( -1.276 -2.096 -0.282) 2.470 9.469 ( -0.338 -1.546 0.031) 1.583 9.472 ( -0.633 -1.599 -0.013) 1.720 9.538 ( -0.172 -0.397 -0.362) 0.564 9.542 ( -0.568 -0.505 -0.485) 0.902 9.559 ( -0.222 0.901 -0.105) 0.934 9.564 ( -0.807 0.677 -0.343) 1.107 9.630 ( -0.274 -1.876 -0.111) 1.899 9.632 ( -0.431 -2.005 -0.084) 2.053 9.815 ( 0.580 -0.922 -0.658) 1.273 9.821 ( -0.073 -1.047 -0.488) 1.157 9.895 ( 0.827 0.121 1.978) 2.148 9.905 ( -0.150 0.061 2.110) 2.116 9.913 ( 0.428 0.915 0.823) 1.303 9.919 ( -0.117 1.901 1.985) 2.751 10.015 ( 1.854 1.013 -1.790) 2.769 10.045 ( -1.043 1.515 -2.173) 2.847 27.403 ( 2.749 -3.075 0.636) 4.173 27.433 ( 1.096 -2.828 -0.517) 3.077 27.465 ( 0.774 -2.285 0.932) 2.586 27.510 ( -2.588 -1.988 -0.995) 3.411 27.623 ( 3.755 5.570 1.728) 6.936 27.678 ( -0.631 6.922 0.289) 6.956 27.737 ( 5.705 2.881 0.190) 6.394 27.838 ( -1.476 2.369 -3.797) 4.712 27.882 ( -0.068 -1.477 1.073) 1.826 27.937 ( -6.064 1.047 -0.991) 6.233 28.281 ( 0.817 -3.293 1.280) 3.626 28.308 ( -2.041 -2.740 0.105) 3.418 29.441 ( -0.143 -0.153 0.021) 0.210 29.442 ( -0.171 -0.172 0.019) 0.244 29.488 ( 0.185 -0.697 0.020) 0.722 29.490 ( 0.019 -0.766 -0.047) 0.768 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.000 6.804 8.153) 10.619 0.494 ( 0.000 7.123 6.270) 9.490 0.639 ( 0.000 4.403 1.698) 4.719 0.706 ( 0.000 4.328 -1.687) 4.645 0.758 ( 0.000 4.838 -4.189) 6.399 0.830 ( 0.000 2.937 -7.967) 8.491 1.015 ( 0.000 2.032 3.925) 4.420 1.084 ( 0.000 3.002 0.463) 3.038 1.134 ( 0.000 8.692 3.969) 9.556 1.197 ( 0.000 3.272 1.885) 3.776 1.221 ( 0.000 4.121 1.245) 4.305 1.302 ( 0.000 6.972 1.717) 7.181 1.350 ( 0.000 1.688 -5.514) 5.767 1.382 ( 0.000 2.617 -0.923) 2.775 1.450 ( 0.000 -1.855 -3.863) 4.285 1.469 ( 0.000 4.560 -6.853) 8.232 1.588 ( 0.000 -2.171 3.116) 3.798 1.638 ( 0.000 1.651 3.877) 4.214 1.660 ( 0.000 -6.285 -0.576) 6.311 1.813 ( 0.000 6.998 -5.101) 8.660 1.894 ( 0.000 2.670 4.072) 4.869 1.945 ( 0.000 -2.651 -0.701) 2.742 2.127 ( 0.000 0.186 2.792) 2.798 2.132 ( 0.000 -0.691 2.211) 2.316 2.227 ( 0.000 6.739 -3.412) 7.554 2.280 ( 0.000 1.143 -4.677) 4.815 2.284 ( 0.000 0.157 5.820) 5.822 2.460 ( 0.000 -2.177 3.478) 4.103 2.598 ( 0.000 0.440 -0.233) 0.498 2.643 ( 0.000 6.828 -0.101) 6.829 2.649 ( 0.000 3.528 -5.464) 6.503 2.778 ( 0.000 6.198 -3.913) 7.330 2.851 ( 0.000 5.920 2.915) 6.599 2.883 ( 0.000 6.003 2.747) 6.602 2.936 ( 0.000 6.213 0.585) 6.240 2.963 ( 0.000 5.150 -1.312) 5.315 9.044 ( 0.000 3.945 0.628) 3.994 9.117 ( 0.000 2.916 -4.109) 5.039 9.283 ( 0.000 -0.637 0.629) 0.895 9.289 ( 0.000 -1.653 1.779) 2.428 9.396 ( 0.000 -1.067 3.653) 3.806 9.514 ( 0.000 -1.310 -1.130) 1.730 9.543 ( 0.000 -1.808 -1.121) 2.128 9.568 ( 0.000 -1.961 -2.039) 2.829 9.625 ( 0.000 -1.304 0.872) 1.569 9.641 ( 0.000 -1.163 1.259) 1.714 9.681 ( 0.000 -0.716 -0.028) 0.717 9.700 ( 0.000 -1.782 0.136) 1.787 9.741 ( 0.000 -0.431 0.976) 1.067 9.759 ( 0.000 -0.879 -0.991) 1.325 9.787 ( 0.000 0.207 -0.090) 0.226 9.843 ( 0.000 -1.210 -1.863) 2.222 9.859 ( 0.000 -1.085 1.409) 1.779 9.884 ( 0.000 -0.389 0.150) 0.417 9.975 ( 0.000 -1.343 1.924) 2.346 10.039 ( 0.000 -1.367 -1.087) 1.747 27.207 ( 0.000 -0.526 -0.253) 0.584 27.212 ( 0.000 -0.792 -0.566) 0.973 27.255 ( 0.000 -0.799 0.943) 1.235 27.271 ( 0.000 -0.953 0.125) 0.961 27.377 ( 0.000 2.331 2.683) 3.555 27.496 ( 0.000 5.365 -2.910) 6.104 27.698 ( 0.000 1.237 2.069) 2.410 27.815 ( 0.000 1.537 -4.288) 4.555 27.929 ( 0.000 -2.031 1.804) 2.716 27.988 ( 0.000 -6.793 -1.335) 6.923 28.758 ( 0.000 1.851 0.687) 1.975 28.768 ( 0.000 0.365 0.512) 0.629 29.443 ( 0.000 -0.296 0.133) 0.325 29.447 ( 0.000 -0.228 -0.079) 0.241 29.468 ( 0.000 -0.491 0.052) 0.494 29.469 ( 0.000 -0.489 0.008) 0.489 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.11 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -10.341 6.964 7.555) 14.578 0.496 ( 3.917 6.144 7.369) 10.363 0.629 ( 0.874 4.971 -1.657) 5.313 0.737 ( 2.024 1.347 -0.088) 2.432 0.799 ( 4.281 4.187 -3.149) 6.765 0.860 ( 3.127 4.307 -9.010) 10.465 1.076 ( 3.891 -1.130 2.688) 4.863 1.105 ( -1.984 8.929 3.791) 9.902 1.125 ( 4.081 4.316 1.916) 6.241 1.183 ( -1.393 4.741 4.188) 6.478 1.228 ( 0.355 1.863 0.852) 2.079 1.273 ( -1.320 7.669 0.373) 7.791 1.352 ( -0.722 1.621 -6.421) 6.662 1.394 ( 0.761 3.394 0.190) 3.483 1.446 ( -1.540 2.074 -3.257) 4.157 1.461 ( 0.781 1.868 -6.086) 6.415 1.590 ( 1.965 -1.997 3.313) 4.339 1.644 ( 0.661 1.223 4.157) 4.383 1.695 ( 2.704 -3.800 -1.954) 5.057 1.849 ( 2.555 3.613 -4.836) 6.555 1.913 ( 1.205 3.996 2.992) 5.136 1.957 ( 0.719 -3.345 1.574) 3.767 2.136 ( -0.394 0.199 2.262) 2.304 2.151 ( 1.621 -0.890 -1.063) 2.133 2.216 ( 0.960 3.441 -1.142) 3.751 2.254 ( -2.696 -0.027 4.769) 5.478 2.297 ( 0.805 1.673 -3.576) 4.029 2.414 ( -4.687 -1.777 1.455) 5.219 2.576 ( -1.351 1.801 -0.222) 2.263 2.620 ( -2.137 3.287 -2.343) 4.567 2.635 ( -0.889 6.620 -0.962) 6.749 2.772 ( -0.953 4.838 -3.201) 5.879 2.848 ( -1.437 6.517 2.040) 6.979 2.861 ( -1.231 5.861 4.080) 7.246 2.928 ( -0.703 5.820 -0.493) 5.883 2.958 ( -0.565 5.323 -1.154) 5.476 9.035 ( -0.839 3.824 0.507) 3.947 9.086 ( -2.779 3.746 -2.454) 5.271 9.243 ( -2.781 -1.503 1.865) 3.670 9.277 ( -1.947 -1.576 -0.062) 2.506 9.413 ( 1.307 -1.460 2.416) 3.111 9.503 ( -1.758 -1.706 -1.847) 3.067 9.531 ( -0.055 -1.725 0.123) 1.730 9.573 ( 0.074 -1.834 -2.004) 2.718 9.617 ( -0.554 -1.243 0.908) 1.636 9.633 ( -0.887 -0.870 0.942) 1.559 9.669 ( -1.170 -0.747 0.044) 1.388 9.687 ( -1.502 -1.670 -0.295) 2.265 9.747 ( 0.656 -0.185 0.734) 1.002 9.766 ( 0.711 -1.127 -0.432) 1.401 9.804 ( 1.767 0.201 0.080) 1.781 9.847 ( 0.467 -1.350 -1.209) 1.871 9.867 ( 0.722 -0.929 0.987) 1.536 9.891 ( 0.925 0.474 -0.120) 1.047 9.978 ( 0.251 -1.074 1.924) 2.217 10.046 ( 0.680 -0.895 -1.237) 1.671 27.211 ( 2.182 -0.199 0.497) 2.247 27.241 ( 1.197 -0.657 -0.325) 1.404 27.293 ( 2.256 -1.325 0.932) 2.778 27.339 ( 7.098 -2.823 -0.806) 7.681 27.412 ( 3.429 2.090 2.006) 4.489 27.514 ( 1.900 5.007 -2.862) 6.072 27.698 ( 0.074 1.601 2.337) 2.834 27.817 ( 0.247 1.640 -4.112) 4.433 27.926 ( -0.279 -2.346 2.035) 3.118 28.002 ( 1.356 -6.706 -1.833) 7.083 28.668 ( -8.470 2.884 1.722) 9.112 28.701 ( -6.410 1.637 0.041) 6.616 29.443 ( 0.024 -0.318 0.122) 0.341 29.447 ( -0.010 -0.229 -0.077) 0.242 29.468 ( -0.031 -0.585 -0.017) 0.586 29.469 ( -0.043 -0.567 -0.017) 0.569 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.22 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( 1.419 5.220 9.103) 10.589 0.588 ( 3.945 4.097 0.645) 5.724 0.660 ( 3.133 0.441 -3.323) 4.588 0.813 ( 5.202 4.647 1.257) 7.088 0.905 ( 6.005 3.191 -2.822) 7.363 0.929 ( 3.873 1.900 -6.140) 7.504 1.043 ( -2.906 0.899 4.359) 5.315 1.145 ( -1.622 8.869 3.815) 9.790 1.164 ( 3.628 1.327 2.517) 4.611 1.207 ( 0.146 4.726 2.464) 5.331 1.229 ( 0.503 1.868 0.473) 1.992 1.279 ( 4.490 4.052 -0.312) 6.057 1.319 ( -3.611 0.376 -2.129) 4.209 1.400 ( 1.074 2.482 -1.781) 3.238 1.434 ( 0.808 4.602 -2.660) 5.376 1.504 ( 3.630 1.879 -4.613) 6.163 1.656 ( 2.769 -4.808 3.251) 6.430 1.674 ( 2.715 3.902 2.923) 5.580 1.742 ( 2.217 -0.840 -2.409) 3.380 1.881 ( -0.858 3.590 -5.713) 6.802 1.914 ( 0.352 1.902 3.147) 3.694 1.965 ( 0.149 -3.885 2.138) 4.437 2.095 ( -3.593 0.620 0.592) 3.694 2.154 ( -2.701 -1.931 -1.314) 3.571 2.205 ( -1.431 0.622 1.843) 2.415 2.230 ( -1.543 -0.016 0.932) 1.803 2.315 ( -0.215 1.120 -0.469) 1.233 2.346 ( 1.489 0.411 -1.378) 2.070 2.571 ( 0.753 2.116 -0.598) 2.324 2.584 ( -1.262 2.489 -0.394) 2.818 2.612 ( -1.069 5.464 0.011) 5.567 2.739 ( -2.303 4.069 -2.320) 5.219 2.798 ( -2.813 5.803 3.285) 7.237 2.833 ( -2.294 4.955 3.022) 6.241 2.910 ( -1.306 5.755 -1.326) 6.049 2.940 ( -1.311 5.395 -1.286) 5.699 9.012 ( -1.483 3.418 0.261) 3.735 9.027 ( -2.881 3.911 -0.468) 4.880 9.187 ( -2.850 -2.232 1.051) 3.769 9.221 ( -3.465 -2.070 -0.501) 4.067 9.433 ( 0.574 -1.989 0.758) 2.205 9.466 ( -1.697 -1.942 -0.872) 2.722 9.533 ( 0.105 -1.923 0.232) 1.939 9.567 ( -0.621 -1.165 -1.415) 1.935 9.603 ( -1.133 -0.283 0.464) 1.257 9.614 ( -0.670 -0.966 0.529) 1.289 9.639 ( -1.760 -0.828 -0.064) 1.946 9.644 ( -2.610 -1.348 -0.226) 2.946 9.764 ( 0.983 -0.348 0.079) 1.046 9.783 ( 0.886 -0.972 -0.202) 1.331 9.838 ( 1.115 -1.376 0.108) 1.774 9.867 ( 1.194 -1.462 -0.621) 1.987 9.887 ( 2.083 0.868 1.770) 2.868 9.921 ( 1.946 1.814 -0.449) 2.698 9.983 ( 0.269 -0.154 1.828) 1.854 10.064 ( 1.086 0.125 -1.721) 2.039 27.257 ( 2.248 -0.643 0.275) 2.354 27.288 ( 3.227 -0.737 -0.683) 3.380 27.348 ( 3.313 -1.620 2.847) 4.659 27.465 ( 4.373 -3.379 -2.424) 6.035 27.499 ( 5.401 1.842 1.398) 5.875 27.576 ( 4.636 3.824 -2.289) 6.430 27.710 ( 1.487 2.360 2.566) 3.790 27.826 ( 0.682 1.697 -3.654) 4.086 27.917 ( -0.769 -2.579 2.493) 3.669 28.033 ( 1.532 -6.250 -3.133) 7.157 28.475 ( -10.476 4.330 2.885) 11.697 28.541 ( -9.381 2.040 -0.423) 9.609 29.443 ( -0.048 -0.329 0.093) 0.345 29.446 ( -0.124 -0.210 -0.057) 0.251 29.467 ( 0.002 -0.639 -0.025) 0.640 29.468 ( 0.001 -0.773 -0.066) 0.776 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 8.979 0.107 3.503) 9.639 0.631 ( 2.197 0.477 -7.264) 7.604 0.763 ( 5.519 1.139 3.240) 6.501 0.881 ( 0.840 4.778 -0.011) 4.851 0.962 ( -1.547 0.656 3.562) 3.939 1.010 ( 3.160 3.821 -2.333) 5.480 1.033 ( 3.191 1.728 -2.323) 4.309 1.129 ( -3.863 1.145 -2.643) 4.819 1.148 ( 1.777 3.744 3.510) 5.431 1.234 ( 2.154 1.729 2.542) 3.754 1.242 ( -0.717 2.467 2.483) 3.573 1.272 ( 2.400 2.086 -2.013) 3.763 1.386 ( -1.147 0.019 -1.709) 2.059 1.408 ( 4.209 -0.849 -0.133) 4.296 1.492 ( 5.081 7.083 0.129) 8.718 1.576 ( 1.567 -1.017 0.110) 1.872 1.666 ( 0.031 -1.124 -0.847) 1.408 1.724 ( 0.500 5.919 0.488) 5.960 1.784 ( 1.065 -2.141 -1.150) 2.654 1.818 ( -3.038 1.846 -2.508) 4.350 1.935 ( 0.944 -2.193 1.375) 2.755 1.981 ( 1.789 0.695 0.591) 2.008 2.019 ( -2.185 -0.133 1.712) 2.779 2.102 ( -1.802 -0.273 -1.175) 2.168 2.169 ( -1.823 -0.941 1.155) 2.354 2.207 ( -1.464 0.026 -0.945) 1.743 2.303 ( -0.360 1.944 0.999) 2.215 2.379 ( -0.426 0.040 -2.304) 2.343 2.568 ( -0.273 2.137 0.353) 2.183 2.606 ( 1.644 2.756 0.182) 3.214 2.613 ( 1.818 3.772 0.556) 4.224 2.694 ( -1.869 4.205 -1.212) 4.759 2.755 ( -1.180 3.994 2.292) 4.754 2.780 ( -2.596 3.523 2.123) 4.864 2.871 ( -2.670 5.514 -0.919) 6.195 2.905 ( -2.497 5.267 -1.639) 6.055 8.981 ( -1.814 3.102 0.162) 3.597 8.982 ( -1.484 2.804 0.103) 3.174 9.136 ( -2.259 -2.580 0.401) 3.452 9.155 ( -3.095 -2.433 -0.400) 3.957 9.434 ( -0.335 -2.104 0.010) 2.131 9.441 ( -0.877 -1.993 -0.218) 2.188 9.534 ( 0.011 -1.655 0.050) 1.655 9.553 ( -0.745 -0.160 -0.925) 1.199 9.582 ( -0.872 -0.048 0.083) 0.877 9.593 ( -2.001 -0.601 -0.115) 2.093 9.605 ( -1.006 -0.802 0.161) 1.296 9.609 ( -1.180 -1.635 0.178) 2.024 9.783 ( 0.875 -0.514 -0.600) 1.179 9.797 ( 0.519 -0.834 -0.612) 1.158 9.855 ( 0.819 -1.649 0.878) 2.040 9.878 ( 0.251 -1.706 0.526) 1.803 9.939 ( 2.084 2.286 1.578) 3.473 9.962 ( 1.914 2.706 1.115) 3.497 9.995 ( 1.424 0.630 0.059) 1.558 10.082 ( 0.564 1.024 -2.179) 2.473 27.305 ( 2.733 -1.047 0.736) 3.018 27.348 ( 2.983 -1.032 -1.265) 3.401 27.403 ( 1.873 -1.517 2.489) 3.465 27.498 ( -0.390 -2.249 -2.034) 3.057 27.610 ( 5.631 1.959 1.794) 6.226 27.685 ( 6.275 3.602 -1.483) 7.386 27.763 ( 3.622 2.665 1.514) 4.745 27.840 ( 0.501 0.693 -2.304) 2.458 27.894 ( -1.490 -1.163 2.061) 2.796 28.048 ( -0.606 -3.941 -5.331) 6.657 28.288 ( -8.052 2.380 4.081) 9.335 28.365 ( -7.989 0.553 -0.309) 8.014 29.440 ( -0.174 -0.245 0.065) 0.307 29.442 ( -0.236 -0.156 -0.023) 0.284 29.469 ( 0.122 -0.769 -0.017) 0.779 29.469 ( 0.092 -0.899 -0.055) 0.905 ======================= Grid point 103 (40/75) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 7.424 -0.678 2.058) 7.733 0.654 ( -2.400 -0.481 -2.222) 3.306 0.822 ( 1.760 1.303 0.912) 2.372 0.868 ( -1.278 1.996 1.160) 2.639 0.958 ( 1.644 3.115 -0.424) 3.547 1.008 ( -2.822 -0.001 -1.986) 3.451 1.071 ( 1.832 5.474 -2.211) 6.181 1.100 ( -0.848 3.082 -3.687) 4.880 1.167 ( 1.424 0.645 2.988) 3.372 1.222 ( -3.123 -1.027 0.567) 3.336 1.331 ( 4.822 -0.473 1.602) 5.103 1.340 ( 6.992 0.710 2.248) 7.378 1.405 ( 1.450 0.879 0.116) 1.700 1.430 ( 1.621 -0.287 -1.763) 2.412 1.522 ( -4.903 -1.162 -1.835) 5.362 1.537 ( -8.317 -0.445 -1.558) 8.473 1.651 ( 5.256 5.293 3.496) 8.238 1.730 ( -1.269 3.865 1.541) 4.350 1.799 ( 1.530 -0.217 -0.915) 1.796 1.815 ( 0.214 0.091 -0.469) 0.523 1.966 ( 1.944 -0.399 0.508) 2.048 1.986 ( -0.109 0.479 -0.141) 0.511 2.043 ( 2.133 0.717 0.471) 2.299 2.075 ( -1.315 0.650 -0.716) 1.632 2.147 ( -0.095 -1.682 0.342) 1.720 2.170 ( -2.064 -1.429 -0.671) 2.598 2.305 ( 0.766 1.414 -0.647) 1.733 2.339 ( -2.625 0.761 -2.142) 3.473 2.572 ( 0.782 3.448 2.338) 4.238 2.598 ( -1.629 4.633 2.504) 5.512 2.661 ( 1.744 1.418 -0.264) 2.263 2.684 ( -0.317 1.662 -1.158) 2.050 2.752 ( 1.658 3.499 1.351) 4.101 2.775 ( 2.382 4.492 -0.379) 5.098 2.811 ( -3.341 4.644 -0.266) 5.728 2.842 ( -3.755 4.952 -1.447) 6.381 8.958 ( -0.535 2.440 0.196) 2.505 8.960 ( -0.692 2.355 0.110) 2.457 9.105 ( -0.779 -2.675 0.050) 2.787 9.110 ( -1.330 -2.618 -0.165) 2.941 9.428 ( -0.180 -1.930 -0.015) 1.938 9.430 ( -0.357 -1.967 -0.010) 1.999 9.533 ( 0.049 -0.447 -0.327) 0.556 9.540 ( -0.595 0.182 -0.721) 0.952 9.567 ( -0.397 -1.079 -0.107) 1.155 9.570 ( -0.478 -0.446 -0.189) 0.681 9.590 ( -0.254 -1.135 0.260) 1.192 9.594 ( -0.550 -1.066 0.253) 1.226 9.796 ( 0.503 -0.627 -0.922) 1.223 9.802 ( -0.028 -0.737 -0.939) 1.194 9.870 ( 0.677 -1.568 1.315) 2.156 9.879 ( -0.202 -1.579 1.116) 1.944 9.965 ( 0.862 2.731 1.861) 3.415 9.975 ( -0.116 2.911 2.227) 3.667 10.043 ( 2.631 1.413 -1.706) 3.439 10.079 ( -0.984 1.489 -2.151) 2.795 27.359 ( 2.570 -1.196 0.934) 2.985 27.390 ( 0.174 -1.150 0.199) 1.180 27.426 ( 1.631 -1.544 0.121) 2.249 27.469 ( -2.186 -1.771 -1.205) 3.060 27.713 ( 4.978 2.396 2.304) 5.986 27.788 ( -0.653 2.204 1.439) 2.712 27.829 ( 5.369 6.272 -0.303) 8.262 27.843 ( 1.649 -1.795 -0.273) 2.452 27.875 ( -0.300 0.851 -1.721) 1.943 27.975 ( -6.748 2.356 -5.060) 8.757 28.205 ( -0.334 -3.209 3.021) 4.420 28.246 ( -4.214 -2.573 0.508) 4.963 29.438 ( -0.079 -0.142 0.040) 0.167 29.438 ( -0.146 -0.113 0.010) 0.185 29.471 ( 0.080 -0.897 -0.022) 0.901 29.471 ( 0.056 -0.941 -0.032) 0.943 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 5.440 4.457) 7.033 0.621 ( 0.000 8.914 3.412) 9.545 0.735 ( 0.000 -0.139 0.216) 0.257 0.801 ( 0.000 7.757 -2.250) 8.077 0.900 ( 0.000 7.049 -1.989) 7.324 0.905 ( 0.000 4.320 -1.464) 4.562 1.012 ( 0.000 -0.653 -2.610) 2.691 1.029 ( 0.000 -5.079 -5.686) 7.624 1.205 ( 0.000 0.821 2.571) 2.699 1.278 ( 0.000 -0.399 1.321) 1.379 1.316 ( 0.000 -3.723 -1.834) 4.150 1.342 ( 0.000 -4.560 -1.701) 4.867 1.384 ( 0.000 9.389 3.266) 9.941 1.421 ( 0.000 1.521 -1.356) 2.038 1.443 ( 0.000 2.537 1.961) 3.206 1.550 ( 0.000 -2.049 0.330) 2.076 1.591 ( 0.000 2.181 0.896) 2.357 1.606 ( 0.000 3.578 2.382) 4.298 1.684 ( 0.000 3.076 0.430) 3.105 1.792 ( 0.000 -4.881 -2.409) 5.443 1.962 ( 0.000 3.461 1.495) 3.770 2.032 ( 0.000 7.041 -0.153) 7.043 2.095 ( 0.000 -2.446 3.083) 3.935 2.152 ( 0.000 2.664 1.876) 3.259 2.251 ( 0.000 -3.015 4.416) 5.347 2.281 ( 0.000 -1.084 -4.713) 4.836 2.326 ( 0.000 2.350 -6.809) 7.203 2.409 ( 0.000 -2.565 -1.759) 3.111 2.630 ( 0.000 1.950 3.647) 4.135 2.666 ( 0.000 -0.326 4.745) 4.756 2.796 ( 0.000 6.101 -5.225) 8.032 2.848 ( 0.000 2.396 -2.910) 3.770 2.983 ( 0.000 4.803 -0.500) 4.829 3.012 ( 0.000 4.227 0.063) 4.227 3.075 ( 0.000 5.574 1.188) 5.699 3.080 ( 0.000 6.322 1.604) 6.522 9.105 ( 0.000 1.912 0.014) 1.912 9.145 ( 0.000 -0.036 -2.508) 2.508 9.270 ( 0.000 -0.235 1.814) 1.829 9.272 ( 0.000 -0.386 0.832) 0.917 9.392 ( 0.000 0.778 2.214) 2.347 9.481 ( 0.000 -2.325 0.092) 2.327 9.508 ( 0.000 -0.820 -2.857) 2.972 9.530 ( 0.000 -1.521 -2.168) 2.649 9.603 ( 0.000 -0.713 1.957) 2.083 9.613 ( 0.000 -1.260 2.013) 2.375 9.667 ( 0.000 -0.625 -0.081) 0.630 9.668 ( 0.000 -1.049 0.136) 1.057 9.737 ( 0.000 0.078 -0.630) 0.635 9.752 ( 0.000 -0.066 -1.397) 1.399 9.793 ( 0.000 0.238 -0.298) 0.382 9.808 ( 0.000 -1.491 -0.231) 1.509 9.855 ( 0.000 0.868 1.772) 1.974 9.898 ( 0.000 1.522 -0.689) 1.670 9.939 ( 0.000 -2.042 1.641) 2.620 9.999 ( 0.000 -2.422 -1.140) 2.676 27.198 ( 0.000 -0.339 -0.371) 0.503 27.199 ( 0.000 -0.418 -0.480) 0.636 27.244 ( 0.000 -0.305 0.823) 0.878 27.254 ( 0.000 -0.712 0.305) 0.775 27.444 ( 0.000 4.201 2.629) 4.956 27.582 ( 0.000 2.606 -3.731) 4.551 27.698 ( 0.000 -2.382 0.646) 2.469 27.778 ( 0.000 -3.853 -3.351) 5.106 27.899 ( 0.000 -0.386 2.228) 2.262 27.930 ( 0.000 0.893 0.985) 1.330 28.777 ( 0.000 0.471 0.134) 0.490 28.783 ( 0.000 0.546 -0.157) 0.568 29.441 ( 0.000 0.124 0.137) 0.184 29.445 ( 0.000 0.036 -0.063) 0.072 29.458 ( 0.000 -0.483 0.055) 0.486 29.458 ( 0.000 -0.570 0.052) 0.573 ======================= Grid point 109 (42/75) ======================= q-point: ( 0.11 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -6.298 8.202 5.189) 11.570 0.649 ( 2.860 8.615 3.607) 9.768 0.721 ( -1.662 -0.085 -1.415) 2.185 0.811 ( 2.083 7.823 -1.410) 8.217 0.895 ( 0.923 4.540 -1.377) 4.833 0.953 ( 3.347 3.774 -4.709) 6.901 1.040 ( 1.839 -0.953 -2.490) 3.238 1.062 ( 2.623 -6.107 -3.930) 7.722 1.179 ( -1.764 1.286 2.843) 3.585 1.274 ( -0.222 0.240 1.295) 1.336 1.332 ( -0.247 -3.063 -1.081) 3.257 1.336 ( 0.802 -2.219 -0.516) 2.415 1.391 ( 0.367 8.914 3.292) 9.510 1.436 ( -0.453 1.558 1.322) 2.093 1.452 ( 2.044 1.577 -0.210) 2.590 1.550 ( 1.200 0.019 0.874) 1.484 1.590 ( -1.268 4.919 -0.628) 5.118 1.626 ( 2.188 -1.249 -1.269) 2.821 1.685 ( 0.968 1.800 2.988) 3.620 1.801 ( 0.500 -5.769 -0.969) 5.871 1.970 ( 0.855 3.532 1.794) 4.053 2.043 ( -0.135 5.446 0.229) 5.453 2.096 ( 0.536 -1.729 0.726) 1.950 2.160 ( -0.375 0.990 0.915) 1.399 2.230 ( -1.069 -1.764 3.221) 3.825 2.267 ( -1.004 0.331 -3.532) 3.687 2.320 ( -0.844 0.519 -4.267) 4.380 2.378 ( -2.616 -1.620 -2.687) 4.085 2.622 ( -0.572 2.117 3.345) 4.000 2.652 ( -1.247 0.200 4.318) 4.499 2.765 ( -2.702 5.370 -4.335) 7.411 2.825 ( -2.170 1.675 -3.017) 4.077 2.989 ( -0.365 5.512 -0.027) 5.524 3.005 ( -0.706 5.239 1.256) 5.434 3.053 ( -1.866 5.524 0.473) 5.850 3.068 ( -1.222 4.916 0.715) 5.115 9.094 ( -1.080 1.787 0.048) 2.089 9.129 ( -1.579 0.321 -2.176) 2.708 9.228 ( -3.429 0.250 2.168) 4.065 9.252 ( -2.439 -0.833 0.470) 2.620 9.399 ( 0.567 0.297 1.566) 1.692 9.482 ( -0.627 -2.535 0.135) 2.615 9.483 ( -1.290 -0.274 -2.150) 2.522 9.533 ( 0.058 -1.910 -2.278) 2.973 9.597 ( -0.333 -0.660 1.756) 1.905 9.609 ( -0.610 -1.239 1.658) 2.158 9.652 ( -1.259 -0.591 -0.093) 1.394 9.663 ( -0.807 -0.743 -0.224) 1.120 9.749 ( 0.987 0.191 -0.262) 1.039 9.756 ( 0.450 0.150 -0.902) 1.019 9.798 ( 0.394 -0.667 -0.378) 0.862 9.813 ( 0.673 -1.479 -0.318) 1.655 9.869 ( 1.433 1.118 1.761) 2.531 9.916 ( 1.591 1.364 -0.857) 2.264 9.951 ( 1.317 -1.235 1.759) 2.521 10.016 ( 1.616 -1.955 -1.250) 2.828 27.219 ( 2.760 0.843 0.349) 2.907 27.235 ( 1.514 0.038 -0.063) 1.516 27.267 ( 1.666 -1.135 0.435) 2.062 27.287 ( 4.930 -2.155 -0.216) 5.385 27.473 ( 2.860 3.888 2.043) 5.241 27.594 ( 1.233 2.526 -3.809) 4.734 27.709 ( 1.143 -1.897 1.290) 2.563 27.782 ( 0.391 -3.795 -2.727) 4.689 27.901 ( 0.179 -0.634 1.741) 1.861 27.929 ( 0.045 0.557 0.523) 0.766 28.710 ( -6.462 1.324 0.449) 6.611 28.726 ( -5.742 0.681 -0.275) 5.789 29.440 ( -0.025 0.096 0.132) 0.165 29.445 ( -0.025 0.019 -0.069) 0.076 29.456 ( -0.116 -0.500 0.032) 0.514 29.457 ( -0.095 -0.558 0.028) 0.567 ======================= Grid point 110 (43/75) ======================= q-point: ( 0.22 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -2.503 10.534 6.176) 12.465 0.681 ( -1.762 1.819 -3.654) 4.446 0.728 ( 4.764 6.745 3.955) 9.156 0.884 ( 3.999 3.667 -0.796) 5.483 0.939 ( 3.571 1.073 -3.465) 5.090 1.000 ( 1.449 2.583 -4.188) 5.130 1.057 ( 0.077 2.017 0.706) 2.138 1.108 ( 0.661 -7.595 -3.570) 8.418 1.176 ( 2.286 0.983 1.719) 3.025 1.274 ( 0.310 0.228 -0.557) 0.677 1.328 ( -1.589 0.018 2.707) 3.139 1.337 ( 0.766 -0.722 0.240) 1.080 1.365 ( -2.785 6.986 2.648) 7.973 1.428 ( -0.981 2.691 0.618) 2.930 1.490 ( 1.645 -0.787 1.428) 2.316 1.573 ( 0.586 3.536 -1.536) 3.899 1.608 ( 3.902 1.527 -0.385) 4.208 1.666 ( 1.719 -4.138 -2.589) 5.175 1.729 ( 3.190 0.619 2.984) 4.412 1.806 ( 0.145 -5.638 1.175) 5.761 1.994 ( 1.605 3.489 1.077) 3.989 2.016 ( -2.419 4.531 -0.818) 5.201 2.079 ( -2.485 -1.261 0.050) 2.787 2.124 ( -2.650 -1.513 -1.258) 3.301 2.206 ( -1.754 1.337 0.968) 2.408 2.252 ( -1.722 0.673 -1.792) 2.575 2.320 ( 1.846 -1.347 -0.257) 2.299 2.338 ( -1.234 -0.522 -1.974) 2.386 2.620 ( 0.484 2.079 1.262) 2.479 2.631 ( -0.364 1.398 3.063) 3.387 2.710 ( -2.599 4.147 -2.331) 5.421 2.775 ( -2.708 0.711 -2.522) 3.768 2.945 ( -3.499 6.666 2.417) 7.907 2.970 ( -3.491 5.770 1.725) 6.961 3.020 ( -1.472 4.410 -1.062) 4.769 3.042 ( -1.537 3.790 -0.745) 4.157 9.065 ( -1.883 1.545 0.129) 2.439 9.087 ( -2.607 1.269 -1.273) 3.167 9.154 ( -3.843 -0.476 1.814) 4.276 9.186 ( -4.006 -1.279 -0.055) 4.206 9.408 ( 0.252 -0.185 0.651) 0.722 9.447 ( -1.584 0.195 -1.236) 2.019 9.482 ( 0.020 -2.564 0.714) 2.661 9.531 ( -0.157 -2.370 -1.786) 2.972 9.589 ( -1.314 -1.031 1.202) 2.057 9.593 ( -0.275 -0.660 0.539) 0.895 9.624 ( -1.550 -0.099 -0.217) 1.568 9.636 ( -1.922 -0.303 -0.655) 2.053 9.768 ( 0.850 0.673 -0.186) 1.100 9.770 ( 1.018 -0.066 -0.147) 1.030 9.808 ( 0.652 -1.284 0.160) 1.450 9.830 ( 0.842 -1.730 0.008) 1.924 9.914 ( 3.230 1.347 1.437) 3.783 9.951 ( 1.961 0.350 -0.292) 2.014 9.988 ( 2.169 1.149 1.071) 2.677 10.055 ( 2.170 -1.021 -1.575) 2.869 27.257 ( 1.779 0.519 0.658) 1.967 27.284 ( 2.548 0.128 -0.593) 2.619 27.323 ( 4.110 -0.548 2.044) 4.623 27.397 ( 5.063 -3.037 -1.358) 6.059 27.549 ( 4.792 3.158 1.019) 5.828 27.634 ( 3.040 1.937 -3.486) 5.015 27.744 ( 2.506 -0.850 2.119) 3.390 27.792 ( 0.610 -3.621 -1.148) 3.848 27.900 ( -0.210 0.161 1.027) 1.060 27.941 ( 1.285 -1.163 -1.038) 2.020 28.547 ( -9.869 2.456 0.977) 10.217 28.575 ( -9.347 1.031 -0.349) 9.410 29.440 ( -0.057 0.044 0.114) 0.135 29.444 ( -0.103 -0.002 -0.068) 0.123 29.454 ( -0.091 -0.536 -0.002) 0.543 29.455 ( -0.105 -0.569 -0.004) 0.579 ======================= Grid point 111 (44/75) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 4.380 6.962 4.474) 9.363 0.670 ( 1.095 1.736 -4.056) 4.546 0.812 ( 2.541 3.690 3.856) 5.911 0.900 ( -1.270 0.446 0.176) 1.357 1.009 ( 0.638 -2.769 -3.538) 4.538 1.026 ( 1.287 2.401 -3.570) 4.491 1.074 ( -0.722 -2.030 -0.312) 2.177 1.094 ( 2.771 1.254 -0.311) 3.058 1.225 ( 1.654 0.884 1.491) 2.396 1.259 ( -2.183 2.814 0.805) 3.651 1.295 ( -1.812 -0.091 2.863) 3.390 1.317 ( -1.155 3.636 1.474) 4.090 1.371 ( 2.689 -0.439 -1.105) 2.940 1.412 ( 0.143 0.767 -0.515) 0.934 1.499 ( -0.744 -3.793 0.970) 3.985 1.579 ( -2.823 -4.493 -2.466) 5.852 1.667 ( 2.778 2.128 1.010) 3.642 1.719 ( 4.533 0.158 -1.708) 4.847 1.787 ( 2.312 0.408 1.479) 2.775 1.811 ( 0.333 -0.929 0.765) 1.249 1.977 ( -0.431 3.352 0.478) 3.413 2.026 ( 0.432 2.437 -1.339) 2.814 2.041 ( 0.275 1.630 0.639) 1.773 2.078 ( -1.731 -2.075 0.087) 2.703 2.173 ( -1.404 1.823 -0.778) 2.429 2.205 ( -2.823 0.147 -1.743) 3.321 2.317 ( -1.125 -0.710 0.848) 1.578 2.344 ( -0.400 -2.759 0.099) 2.790 2.634 ( 0.591 3.205 -0.281) 3.271 2.650 ( 1.984 1.888 -0.504) 2.785 2.687 ( 0.660 2.623 1.060) 2.905 2.733 ( -1.317 0.612 -1.076) 1.808 2.875 ( -3.221 5.968 2.177) 7.123 2.893 ( -3.563 5.186 1.149) 6.397 2.978 ( -3.009 4.300 -0.658) 5.290 3.001 ( -2.847 3.459 -1.224) 4.644 9.026 ( -1.878 1.363 0.186) 2.328 9.036 ( -2.435 1.841 -0.296) 3.067 9.089 ( -2.644 -1.653 0.805) 3.221 9.111 ( -3.454 -1.710 -0.222) 3.861 9.409 ( -0.103 -0.085 0.213) 0.252 9.423 ( -0.881 0.478 -0.437) 1.093 9.486 ( 0.369 -2.662 0.951) 2.851 9.526 ( -0.425 -3.053 -0.696) 3.160 9.562 ( -1.161 0.007 0.166) 1.173 9.585 ( -0.629 -0.474 -0.438) 0.901 9.597 ( -1.695 -0.040 -0.589) 1.795 9.598 ( -1.130 -0.149 -0.462) 1.230 9.784 ( 0.721 0.566 -0.122) 0.925 9.788 ( 0.691 0.109 -0.226) 0.736 9.823 ( 0.868 -1.336 0.944) 1.852 9.842 ( 0.441 -1.655 0.704) 1.852 9.978 ( 2.680 1.446 1.325) 3.321 10.000 ( 3.317 0.477 -0.350) 3.369 10.024 ( 1.303 2.397 0.554) 2.783 10.090 ( 1.267 -0.304 -1.823) 2.241 27.299 ( 2.537 0.372 0.908) 2.720 27.334 ( 2.674 -0.663 -0.659) 2.833 27.389 ( 2.048 0.259 1.748) 2.705 27.453 ( 0.659 -2.035 -1.245) 2.475 27.651 ( 5.315 2.337 0.746) 5.854 27.715 ( 5.042 0.248 -2.538) 5.650 27.801 ( 0.463 -2.373 0.418) 2.454 27.809 ( 3.701 -1.374 0.883) 4.045 27.901 ( 0.477 1.704 0.844) 1.961 27.977 ( 2.384 -1.598 -2.554) 3.842 28.346 ( -10.330 2.557 1.608) 10.763 28.383 ( -9.882 0.739 -0.203) 9.911 29.438 ( -0.092 0.048 0.081) 0.132 29.441 ( -0.172 0.031 -0.042) 0.180 29.453 ( -0.000 -0.619 -0.018) 0.620 29.454 ( -0.023 -0.632 -0.020) 0.633 ======================= Grid point 112 (45/75) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 6.513 4.158 2.129) 8.015 0.688 ( -2.775 3.630 -2.579) 5.247 0.804 ( 1.548 -2.315 1.356) 3.098 0.885 ( -3.600 -0.398 -2.059) 4.166 0.983 ( 1.669 -1.156 0.955) 2.244 1.031 ( -1.320 2.496 0.541) 2.875 1.096 ( 1.518 -3.203 0.161) 3.548 1.123 ( -1.148 -1.411 0.184) 1.828 1.216 ( -0.142 3.797 1.019) 3.934 1.230 ( -1.204 3.198 0.730) 3.494 1.325 ( 3.385 -1.012 0.041) 3.533 1.328 ( 3.776 0.082 0.235) 3.784 1.390 ( -1.758 -0.140 -0.620) 1.869 1.426 ( -0.416 -1.512 -1.855) 2.429 1.465 ( -5.046 -5.205 -0.894) 7.304 1.476 ( -1.438 -2.680 -1.933) 3.604 1.746 ( 4.236 3.281 1.581) 5.586 1.793 ( 2.182 0.344 -0.300) 2.229 1.802 ( -0.906 1.981 1.389) 2.584 1.817 ( 0.127 0.412 0.796) 0.905 1.997 ( 1.750 1.946 0.493) 2.664 2.020 ( -0.352 1.988 -0.426) 2.063 2.063 ( 0.720 -1.233 0.311) 1.461 2.072 ( 0.633 -0.043 0.015) 0.635 2.151 ( -0.960 2.479 -0.832) 2.785 2.155 ( -1.548 1.483 -0.968) 2.352 2.296 ( -0.531 -2.156 -0.151) 2.226 2.313 ( -2.009 -2.930 -0.704) 3.622 2.653 ( 1.733 3.685 0.709) 4.133 2.682 ( 0.275 2.603 0.065) 2.618 2.698 ( 0.223 2.059 0.797) 2.219 2.719 ( -0.977 1.328 0.321) 1.680 2.850 ( 1.400 4.814 0.686) 5.060 2.868 ( 1.630 3.926 -0.206) 4.256 2.909 ( -3.791 4.235 -0.130) 5.685 2.932 ( -3.962 3.304 -1.043) 5.263 8.999 ( -0.760 1.332 0.177) 1.544 9.001 ( -0.995 1.570 0.098) 1.862 9.055 ( -0.795 -2.014 0.193) 2.174 9.061 ( -1.491 -1.964 -0.088) 2.468 9.408 ( 0.020 0.261 0.101) 0.280 9.411 ( -0.374 0.467 -0.027) 0.599 9.496 ( 0.698 -2.755 0.880) 2.975 9.512 ( -0.921 -3.138 0.577) 3.321 9.552 ( 0.131 0.534 -0.896) 1.051 9.565 ( -1.099 0.285 -0.941) 1.474 9.580 ( -0.163 -0.441 -0.557) 0.729 9.584 ( -0.483 -0.475 -0.594) 0.901 9.794 ( 0.329 0.458 -0.158) 0.586 9.796 ( 0.175 0.301 -0.233) 0.419 9.838 ( 0.643 -1.423 1.313) 2.040 9.846 ( -0.103 -1.538 1.205) 1.957 10.018 ( 1.509 2.245 1.030) 2.895 10.035 ( -0.173 2.708 0.669) 2.795 10.063 ( 2.738 0.349 -1.000) 2.936 10.097 ( -0.686 0.099 -1.618) 1.761 27.351 ( 2.614 0.363 0.944) 2.803 27.382 ( 1.165 -0.035 -0.225) 1.187 27.401 ( 0.373 -0.636 0.843) 1.120 27.438 ( -1.848 -1.325 -0.651) 2.365 27.741 ( 3.771 1.125 0.798) 4.015 27.791 ( -1.376 -0.963 0.832) 1.874 27.807 ( 3.885 -1.611 -1.898) 4.614 27.853 ( -0.540 -2.896 -1.689) 3.396 27.955 ( 5.698 5.168 1.106) 7.771 28.028 ( 1.517 2.126 -3.313) 4.219 28.170 ( -6.015 -0.084 2.927) 6.690 28.211 ( -7.331 -1.057 0.313) 7.414 29.437 ( -0.020 0.094 0.040) 0.104 29.438 ( -0.117 0.089 -0.004) 0.147 29.454 ( 0.024 -0.701 -0.021) 0.702 29.454 ( 0.005 -0.707 -0.023) 0.707 ======================= Grid point 117 (46/75) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 -2.850 2.065) 3.520 0.707 ( 0.000 2.850 2.065) 3.520 0.810 ( 0.000 -7.979 1.567) 8.131 0.810 ( 0.000 7.979 1.567) 8.131 0.941 ( 0.000 -2.108 -5.733) 6.108 0.941 ( 0.000 2.108 -5.733) 6.108 1.034 ( 0.000 -0.874 -1.444) 1.688 1.034 ( 0.000 0.874 -1.444) 1.688 1.225 ( 0.000 -2.596 -0.751) 2.702 1.225 ( 0.000 2.596 -0.751) 2.702 1.264 ( 0.000 -0.800 -0.726) 1.080 1.264 ( 0.000 0.800 -0.726) 1.080 1.452 ( 0.000 -1.002 1.742) 2.010 1.452 ( 0.000 1.002 1.742) 2.010 1.512 ( 0.000 -2.691 0.046) 2.691 1.512 ( 0.000 2.691 0.046) 2.691 1.641 ( 0.000 -0.732 3.590) 3.664 1.641 ( 0.000 0.732 3.590) 3.664 1.719 ( 0.000 -1.272 1.028) 1.635 1.719 ( 0.000 1.272 1.028) 1.635 2.034 ( 0.000 -3.347 1.980) 3.889 2.034 ( 0.000 3.347 1.980) 3.889 2.161 ( 0.000 -5.259 0.349) 5.271 2.161 ( 0.000 5.259 0.349) 5.271 2.229 ( 0.000 -3.831 -1.589) 4.147 2.229 ( 0.000 3.831 -1.589) 4.147 2.362 ( 0.000 -1.698 -5.947) 6.185 2.362 ( 0.000 1.698 -5.947) 6.185 2.655 ( 0.000 -0.604 5.983) 6.013 2.655 ( 0.000 0.604 5.983) 6.013 2.872 ( 0.000 -0.918 -3.744) 3.855 2.872 ( 0.000 0.918 -3.744) 3.855 3.043 ( 0.000 -0.849 -1.099) 1.389 3.043 ( 0.000 0.849 -1.099) 1.389 3.148 ( 0.000 -0.332 1.905) 1.934 3.148 ( 0.000 0.332 1.905) 1.934 9.132 ( 0.000 -0.929 -0.977) 1.348 9.132 ( 0.000 0.929 -0.977) 1.348 9.268 ( 0.000 -0.011 1.057) 1.057 9.268 ( 0.000 0.011 1.057) 1.057 9.428 ( 0.000 -2.389 1.268) 2.705 9.428 ( 0.000 2.389 1.268) 2.705 9.507 ( 0.000 -0.579 -2.668) 2.730 9.507 ( 0.000 0.579 -2.668) 2.730 9.597 ( 0.000 -0.200 2.116) 2.125 9.597 ( 0.000 0.200 2.116) 2.125 9.659 ( 0.000 -0.075 0.121) 0.142 9.659 ( 0.000 0.075 0.121) 0.142 9.745 ( 0.000 -0.544 -1.772) 1.853 9.745 ( 0.000 0.544 -1.772) 1.853 9.794 ( 0.000 -0.013 0.557) 0.557 9.794 ( 0.000 0.013 0.557) 0.557 9.891 ( 0.000 -2.230 1.436) 2.652 9.891 ( 0.000 2.230 1.436) 2.652 9.945 ( 0.000 -2.566 -0.967) 2.742 9.945 ( 0.000 2.566 -0.967) 2.742 27.194 ( 0.000 -0.013 -0.441) 0.442 27.194 ( 0.000 0.013 -0.441) 0.442 27.243 ( 0.000 -0.267 0.621) 0.676 27.243 ( 0.000 0.267 0.621) 0.676 27.547 ( 0.000 -5.163 1.554) 5.392 27.547 ( 0.000 5.163 1.554) 5.392 27.698 ( 0.000 -3.195 -3.958) 5.087 27.698 ( 0.000 3.195 -3.958) 5.087 27.926 ( 0.000 -1.391 2.303) 2.690 27.926 ( 0.000 1.391 2.303) 2.690 28.785 ( 0.000 -0.247 -0.222) 0.332 28.785 ( 0.000 0.247 -0.222) 0.332 29.447 ( 0.000 -0.356 0.058) 0.361 29.447 ( 0.000 0.356 0.058) 0.361 29.449 ( 0.000 -0.232 0.040) 0.235 29.449 ( 0.000 0.232 0.040) 0.235 ======================= Grid point 119 (47/75) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -2.684 -4.286 2.270) 5.543 0.674 ( -2.684 4.286 2.270) 5.543 0.840 ( 2.662 -8.347 1.983) 8.983 0.840 ( 2.662 8.347 1.983) 8.983 0.952 ( 0.950 -3.590 -5.795) 6.883 0.952 ( 0.950 3.590 -5.795) 6.883 1.033 ( 0.195 -3.183 -2.525) 4.068 1.033 ( 0.195 3.183 -2.525) 4.068 1.232 ( 0.540 -4.542 -0.153) 4.577 1.232 ( 0.540 4.542 -0.153) 4.577 1.276 ( 1.130 -1.508 0.242) 1.900 1.276 ( 1.130 1.508 0.242) 1.900 1.451 ( -0.334 -0.286 1.736) 1.791 1.451 ( -0.334 0.286 1.736) 1.791 1.543 ( 3.103 -2.124 0.224) 3.767 1.543 ( 3.103 2.124 0.224) 3.767 1.630 ( -1.559 -1.730 1.592) 2.821 1.630 ( -1.559 1.730 1.592) 2.821 1.714 ( -0.033 -1.682 2.162) 2.739 1.714 ( -0.033 1.682 2.162) 2.739 2.038 ( 0.361 -2.810 1.389) 3.155 2.038 ( 0.361 2.810 1.389) 3.155 2.147 ( -2.047 -3.135 -0.838) 3.836 2.147 ( -2.047 3.135 -0.838) 3.836 2.232 ( 0.819 -2.482 0.154) 2.618 2.232 ( 0.819 2.482 0.154) 2.618 2.344 ( -1.702 -1.624 -5.622) 6.095 2.344 ( -1.702 1.624 -5.622) 6.095 2.648 ( -0.598 -0.546 5.329) 5.390 2.648 ( -0.598 0.546 5.329) 5.390 2.837 ( -3.123 -1.218 -3.550) 4.882 2.837 ( -3.123 1.218 -3.550) 4.882 3.052 ( 0.334 -0.495 -0.679) 0.905 3.052 ( 0.334 0.495 -0.679) 0.905 3.123 ( -2.341 -0.436 1.549) 2.841 3.123 ( -2.341 0.436 1.549) 2.841 9.119 ( -1.285 -0.852 -0.843) 1.757 9.119 ( -1.285 0.852 -0.843) 1.757 9.239 ( -2.909 -0.548 1.050) 3.141 9.239 ( -2.909 0.548 1.050) 3.141 9.427 ( -0.012 -2.229 1.095) 2.483 9.427 ( -0.012 2.229 1.095) 2.483 9.498 ( -0.863 -1.317 -2.441) 2.904 9.498 ( -0.863 1.317 -2.441) 2.904 9.592 ( -0.460 -0.252 1.887) 1.958 9.592 ( -0.460 0.252 1.887) 1.958 9.651 ( -0.799 -0.370 -0.204) 0.904 9.651 ( -0.799 0.370 -0.204) 0.904 9.756 ( 1.020 -0.362 -1.237) 1.644 9.756 ( 1.020 0.362 -1.237) 1.644 9.793 ( 0.027 -0.457 0.362) 0.584 9.793 ( 0.027 0.457 0.362) 0.584 9.903 ( 1.204 -1.847 1.380) 2.601 9.903 ( 1.204 1.847 1.380) 2.601 9.970 ( 2.390 -2.230 -0.896) 3.390 9.970 ( 2.390 2.230 -0.896) 3.390 27.238 ( 3.714 -0.310 -0.159) 3.731 27.238 ( 3.714 0.310 -0.159) 3.731 27.253 ( 1.474 -0.544 0.447) 1.633 27.253 ( 1.474 0.544 0.447) 1.633 27.569 ( 2.159 -4.719 0.975) 5.280 27.569 ( 2.159 4.719 0.975) 5.280 27.705 ( 0.667 -2.937 -3.120) 4.337 27.705 ( 0.667 2.937 -3.120) 4.337 27.924 ( -0.137 -1.294 1.891) 2.295 27.924 ( -0.137 1.294 1.891) 2.295 28.728 ( -5.656 -0.413 -0.148) 5.673 28.728 ( -5.656 0.413 -0.148) 5.673 29.446 ( -0.067 -0.380 0.066) 0.392 29.446 ( -0.067 0.380 0.066) 0.392 29.448 ( -0.085 -0.252 0.008) 0.266 29.448 ( -0.085 0.252 0.008) 0.266 ======================= Grid point 121 (48/75) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -1.926 -6.392 3.164) 7.388 0.625 ( -1.926 6.392 3.164) 7.388 0.902 ( 3.476 -7.869 1.969) 8.825 0.902 ( 3.476 7.868 1.969) 8.825 0.961 ( -0.530 -3.173 -5.734) 6.575 0.961 ( -0.530 3.173 -5.734) 6.575 1.054 ( 1.878 -2.605 -3.664) 4.872 1.054 ( 1.878 2.605 -3.664) 4.872 1.248 ( 1.327 -5.309 1.460) 5.664 1.248 ( 1.327 5.309 1.460) 5.664 1.298 ( 0.962 -2.451 1.587) 3.074 1.298 ( 0.962 2.451 1.587) 3.074 1.435 ( -1.392 -1.516 1.185) 2.375 1.435 ( -1.392 1.516 1.185) 2.375 1.560 ( -4.193 -4.539 0.447) 6.195 1.560 ( -4.193 4.539 0.447) 6.195 1.633 ( 4.541 -1.242 -1.084) 4.831 1.633 ( 4.541 1.242 -1.084) 4.831 1.734 ( 2.168 -0.983 2.734) 3.625 1.734 ( 2.168 0.983 2.734) 3.625 2.048 ( 0.634 -1.588 0.082) 1.711 2.048 ( 0.634 1.588 0.082) 1.711 2.086 ( -3.578 -2.092 -0.524) 4.178 2.086 ( -3.578 2.092 -0.524) 4.178 2.243 ( -0.797 -1.606 -0.987) 2.046 2.243 ( -0.797 1.606 -0.987) 2.046 2.314 ( -0.690 -1.198 -1.965) 2.403 2.314 ( -0.690 1.198 -1.965) 2.403 2.643 ( 0.466 -0.186 3.163) 3.202 2.643 ( 0.466 0.187 3.163) 3.202 2.771 ( -3.175 -1.465 -2.664) 4.396 2.771 ( -3.175 1.465 -2.664) 4.396 3.026 ( -3.384 -0.660 1.418) 3.728 3.026 ( -3.384 0.660 1.418) 3.728 3.078 ( -1.925 -0.643 -0.532) 2.098 3.078 ( -1.925 0.643 -0.532) 2.098 9.085 ( -2.065 -0.697 -0.523) 2.241 9.085 ( -2.065 0.697 -0.523) 2.241 9.165 ( -4.374 -0.918 0.788) 4.539 9.165 ( -4.374 0.918 0.788) 4.539 9.428 ( 0.087 -1.874 0.778) 2.031 9.428 ( 0.087 1.874 0.778) 2.031 9.479 ( -0.972 -2.194 -1.376) 2.766 9.479 ( -0.972 2.194 -1.376) 2.766 9.582 ( -0.573 -0.267 0.828) 1.042 9.582 ( -0.573 0.267 0.828) 1.042 9.628 ( -1.519 -0.367 -0.623) 1.683 9.628 ( -1.519 0.367 -0.623) 1.683 9.777 ( 1.070 -0.472 -0.293) 1.205 9.777 ( 1.070 0.472 -0.293) 1.205 9.799 ( 0.580 -1.014 0.367) 1.225 9.799 ( 0.580 1.014 0.367) 1.225 9.940 ( 2.608 -1.020 1.071) 2.998 9.940 ( 2.608 1.020 1.071) 2.998 10.024 ( 2.820 -1.824 -0.904) 3.478 10.024 ( 2.820 1.824 -0.904) 3.478 27.274 ( 1.720 -0.950 0.606) 2.056 27.274 ( 1.720 0.950 0.606) 2.056 27.342 ( 5.113 -2.122 -0.116) 5.537 27.342 ( 5.113 2.122 -0.116) 5.537 27.627 ( 3.734 -3.562 -0.380) 5.175 27.627 ( 3.734 3.562 -0.380) 5.175 27.725 ( 1.460 -1.972 -1.073) 2.678 27.725 ( 1.460 1.972 -1.073) 2.678 27.926 ( 0.432 -1.336 0.863) 1.648 27.926 ( 0.432 1.336 0.863) 1.648 28.579 ( -9.318 -0.675 0.041) 9.342 28.579 ( -9.318 0.675 0.041) 9.342 29.444 ( -0.097 -0.379 0.060) 0.396 29.444 ( -0.097 0.379 0.060) 0.396 29.446 ( -0.115 -0.259 -0.027) 0.284 29.446 ( -0.115 0.259 -0.027) 0.284 ======================= Grid point 123 (49/75) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 1.679 -6.390 3.071) 7.286 0.619 ( 1.679 6.390 3.071) 7.286 0.917 ( -3.827 -5.411 -4.394) 7.952 0.917 ( -3.827 5.411 -4.394) 7.952 0.966 ( 2.627 -5.004 1.624) 5.881 0.966 ( 2.627 5.004 1.624) 5.881 1.088 ( 1.060 -2.141 -2.298) 3.315 1.088 ( 1.060 2.141 -2.298) 3.315 1.276 ( 0.665 -1.440 2.713) 3.143 1.276 ( 0.665 1.440 2.713) 3.143 1.317 ( 1.633 -4.282 1.642) 4.868 1.317 ( 1.633 4.282 1.642) 4.868 1.406 ( -1.460 -3.237 -1.787) 3.976 1.406 ( -1.460 3.237 -1.787) 3.976 1.463 ( -4.778 -2.861 -0.691) 5.611 1.463 ( -4.778 2.861 -0.691) 5.611 1.722 ( 4.125 -1.684 -0.001) 4.455 1.722 ( 4.125 1.684 -0.001) 4.455 1.791 ( 3.132 -0.988 1.505) 3.613 1.791 ( 3.132 0.988 1.505) 3.613 2.031 ( -1.611 -2.025 0.637) 2.665 2.031 ( -1.611 2.025 0.637) 2.665 2.059 ( 0.273 -0.500 -0.751) 0.943 2.059 ( 0.273 0.500 -0.751) 0.943 2.210 ( -1.606 -0.632 -2.728) 3.228 2.210 ( -1.606 0.632 -2.728) 3.228 2.301 ( -1.517 -0.421 1.467) 2.152 2.301 ( -1.517 0.421 1.467) 2.152 2.670 ( 1.880 -0.225 0.332) 1.922 2.670 ( 1.880 0.226 0.332) 1.922 2.729 ( -0.820 -1.186 -0.551) 1.544 2.729 ( -0.820 1.186 -0.551) 1.544 2.948 ( -3.841 -0.474 1.387) 4.111 2.948 ( -3.841 0.474 1.387) 4.111 3.032 ( -3.011 -0.630 -0.859) 3.193 3.032 ( -3.011 0.630 -0.859) 3.193 9.045 ( -1.877 -0.609 -0.206) 1.984 9.045 ( -1.877 0.609 -0.206) 1.984 9.084 ( -3.669 -0.905 0.428) 3.803 9.084 ( -3.669 0.905 0.428) 3.803 9.431 ( 0.254 -1.884 0.602) 1.994 9.431 ( 0.254 1.884 0.602) 1.994 9.462 ( -0.813 -2.563 -0.299) 2.705 9.462 ( -0.813 2.563 -0.299) 2.705 9.571 ( -0.477 -0.677 -0.283) 0.875 9.571 ( -0.477 0.677 -0.283) 0.875 9.597 ( -1.516 -0.006 -0.795) 1.712 9.597 ( -1.516 0.006 -0.795) 1.712 9.797 ( 0.885 -0.690 0.388) 1.188 9.797 ( 0.885 0.690 0.388) 1.188 9.811 ( 0.510 -1.203 0.581) 1.429 9.811 ( 0.510 1.203 0.581) 1.429 9.999 ( 3.227 -0.509 0.588) 3.319 9.999 ( 3.227 0.509 0.588) 3.319 10.069 ( 1.605 -1.715 -0.921) 2.523 10.069 ( 1.605 1.715 -0.921) 2.523 27.315 ( 2.511 -0.997 0.537) 2.754 27.315 ( 2.511 0.997 0.537) 2.754 27.412 ( 1.753 -1.768 0.062) 2.490 27.412 ( 1.753 1.768 0.062) 2.490 27.708 ( 4.278 -2.196 -1.223) 4.961 27.708 ( 4.278 2.196 -1.223) 4.961 27.761 ( 2.081 -0.301 0.158) 2.108 27.761 ( 2.081 0.301 0.158) 2.108 27.950 ( 2.361 -1.913 0.155) 3.043 27.950 ( 2.361 1.914 0.155) 3.043 28.383 ( -10.436 -0.880 0.291) 10.477 28.383 ( -10.436 0.880 0.291) 10.477 29.443 ( -0.064 -0.377 0.034) 0.384 29.443 ( -0.064 0.377 0.034) 0.384 29.444 ( -0.103 -0.292 -0.028) 0.311 29.444 ( -0.103 0.292 -0.028) 0.311 ======================= Grid point 125 (50/75) ======================= q-point: ( 0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 5.594 -5.708 1.207) 8.083 0.692 ( 5.594 5.708 1.207) 8.083 0.814 ( -6.316 -5.239 -1.764) 8.393 0.814 ( -6.316 5.239 -1.764) 8.393 1.015 ( 2.826 -3.715 1.401) 4.874 1.015 ( 2.826 3.715 1.401) 4.874 1.074 ( -2.542 -2.252 0.891) 3.511 1.074 ( -2.542 2.252 0.891) 3.511 1.282 ( 1.209 -2.348 0.845) 2.774 1.282 ( 1.209 2.348 0.845) 2.774 1.330 ( -2.944 -5.770 -0.007) 6.478 1.330 ( -2.944 5.770 -0.007) 6.478 1.381 ( 1.903 -3.227 -1.921) 4.210 1.381 ( 1.903 3.227 -1.921) 4.210 1.418 ( -1.184 -2.262 -2.014) 3.252 1.418 ( -1.184 2.262 -2.014) 3.252 1.789 ( 2.811 -0.982 0.840) 3.094 1.789 ( 2.811 0.982 0.840) 3.094 1.824 ( -0.273 -0.197 1.220) 1.265 1.824 ( -0.273 0.197 1.220) 1.265 2.031 ( 1.349 -1.437 0.652) 2.076 2.031 ( 1.349 1.437 0.652) 2.076 2.056 ( -0.755 -1.332 -0.438) 1.593 2.056 ( -0.755 1.332 -0.438) 1.593 2.204 ( 1.200 -0.653 -1.711) 2.190 2.204 ( 1.200 0.653 -1.711) 2.190 2.251 ( -3.127 -0.816 0.420) 3.259 2.251 ( -3.127 0.816 0.420) 3.259 2.701 ( 1.616 -0.706 -0.167) 1.771 2.701 ( 1.616 0.706 -0.167) 1.771 2.728 ( -0.510 -0.503 0.840) 1.104 2.728 ( -0.510 0.503 0.840) 1.104 2.910 ( 0.742 -0.420 0.243) 0.887 2.910 ( 0.742 0.420 0.243) 0.887 2.964 ( -3.771 -0.597 -0.504) 3.851 2.964 ( -3.771 0.597 -0.504) 3.851 9.020 ( -0.507 -0.630 0.007) 0.808 9.020 ( -0.507 0.630 0.007) 0.808 9.031 ( -1.657 -0.744 0.181) 1.825 9.031 ( -1.657 0.744 0.181) 1.825 9.438 ( 0.431 -2.177 0.500) 2.275 9.438 ( 0.431 2.177 0.500) 2.275 9.448 ( -0.613 -2.482 0.272) 2.571 9.448 ( -0.613 2.482 0.272) 2.571 9.566 ( 0.013 -0.699 -0.805) 1.067 9.566 ( 0.013 0.699 -0.805) 1.067 9.574 ( -0.816 -0.426 -0.877) 1.271 9.574 ( -0.816 0.426 -0.877) 1.271 9.811 ( 0.530 -0.879 0.717) 1.252 9.811 ( 0.530 0.879 0.717) 1.252 9.816 ( 0.007 -1.076 0.767) 1.322 9.816 ( 0.007 1.076 0.767) 1.322 10.054 ( 2.293 -1.151 -0.058) 2.566 10.054 ( 2.293 1.151 -0.058) 2.566 10.081 ( -0.384 -1.584 -0.638) 1.750 10.081 ( -0.384 1.584 -0.638) 1.750 27.367 ( 2.708 -1.018 0.453) 2.928 27.367 ( 2.708 1.018 0.453) 2.928 27.411 ( -1.521 -1.162 0.295) 1.936 27.411 ( -1.521 1.162 0.295) 1.936 27.775 ( 2.274 -1.612 -1.107) 2.999 27.775 ( 2.274 1.612 -1.107) 2.999 27.791 ( 0.599 -1.843 -0.564) 2.019 27.791 ( 0.599 1.843 -0.564) 2.019 28.032 ( 6.298 -1.938 0.416) 6.602 28.032 ( 6.298 1.938 0.416) 6.602 28.188 ( -9.400 -1.265 0.504) 9.498 28.188 ( -9.400 1.265 0.504) 9.498 29.442 ( -0.004 -0.396 0.009) 0.396 29.442 ( -0.004 0.396 0.009) 0.396 29.443 ( -0.057 -0.364 -0.012) 0.369 29.443 ( -0.057 0.364 -0.012) 0.369 ======================= Grid point 162 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 0.000 0.000 -9.306) 9.306 0.370 ( 0.000 0.000 9.306) 9.306 0.437 ( 0.000 0.000 -11.424) 11.424 0.437 ( 0.000 0.000 11.424) 11.424 0.764 ( 0.000 0.000 -16.853) 16.853 0.764 ( 0.000 0.000 16.853) 16.853 0.783 ( 0.000 0.000 -1.865) 1.865 0.783 ( 0.000 0.000 1.865) 1.865 0.987 ( 0.000 0.000 -1.350) 1.350 0.987 ( 0.000 0.000 1.350) 1.350 1.219 ( 0.000 0.000 -5.832) 5.832 1.219 ( 0.000 0.000 5.832) 5.832 1.263 ( 0.000 0.000 -0.053) 0.053 1.263 ( 0.000 0.000 0.053) 0.053 1.376 ( 0.000 0.000 -0.410) 0.410 1.376 ( 0.000 0.000 0.410) 0.410 1.576 ( 0.000 0.000 -1.020) 1.020 1.576 ( 0.000 0.000 1.020) 1.020 1.795 ( 0.000 0.000 -3.748) 3.748 1.795 ( 0.000 0.000 3.748) 3.748 1.932 ( 0.000 0.000 -5.852) 5.852 1.932 ( 0.000 0.000 5.852) 5.852 2.087 ( 0.000 0.000 -5.363) 5.363 2.087 ( 0.000 0.000 5.363) 5.363 2.245 ( 0.000 0.000 -0.539) 0.539 2.245 ( 0.000 0.000 0.539) 0.539 2.284 ( 0.000 0.000 -6.416) 6.416 2.284 ( 0.000 0.000 6.416) 6.416 2.412 ( 0.000 0.000 -4.467) 4.467 2.412 ( 0.000 0.000 4.467) 4.467 2.669 ( 0.000 0.000 -0.774) 0.774 2.669 ( 0.000 0.000 0.774) 0.774 2.741 ( 0.000 0.000 -0.604) 0.604 2.741 ( 0.000 0.000 0.604) 0.604 2.825 ( 0.000 0.000 -1.073) 1.073 2.825 ( 0.000 0.000 1.073) 1.073 8.913 ( 0.000 0.000 -0.195) 0.195 8.913 ( 0.000 0.000 0.195) 0.195 9.315 ( 0.000 0.000 -1.269) 1.269 9.315 ( 0.000 0.000 1.269) 1.269 9.554 ( 0.000 0.000 -2.622) 2.622 9.554 ( 0.000 0.000 2.622) 2.622 9.577 ( 0.000 0.000 -2.105) 2.105 9.577 ( 0.000 0.000 2.105) 2.105 9.651 ( 0.000 0.000 -0.068) 0.068 9.651 ( 0.000 0.000 0.068) 0.068 9.753 ( 0.000 0.000 -0.884) 0.884 9.753 ( 0.000 0.000 0.884) 0.884 9.791 ( 0.000 0.000 -0.183) 0.183 9.791 ( 0.000 0.000 0.183) 0.183 9.816 ( 0.000 0.000 -2.311) 2.311 9.816 ( 0.000 0.000 2.311) 2.311 9.911 ( 0.000 0.000 -0.254) 0.254 9.911 ( 0.000 0.000 0.254) 0.254 10.041 ( 0.000 0.000 -1.886) 1.886 10.041 ( 0.000 0.000 1.886) 1.886 27.235 ( 0.000 0.000 -0.597) 0.597 27.235 ( 0.000 0.000 0.597) 0.597 27.303 ( 0.000 0.000 -0.337) 0.337 27.303 ( 0.000 0.000 0.337) 0.337 27.308 ( 0.000 0.000 -0.320) 0.320 27.308 ( 0.000 0.000 0.320) 0.320 27.684 ( 0.000 0.000 -0.303) 0.303 27.684 ( 0.000 0.000 0.303) 0.303 28.088 ( 0.000 0.000 -5.108) 5.108 28.088 ( 0.000 0.000 5.108) 5.108 28.745 ( 0.000 0.000 -3.153) 3.153 28.745 ( 0.000 0.000 3.153) 3.153 29.457 ( 0.000 0.000 -0.050) 0.050 29.457 ( 0.000 0.000 0.050) 0.050 29.481 ( 0.000 0.000 -0.004) 0.004 29.481 ( 0.000 0.000 0.004) 0.004 ======================= Grid point 164 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 3.886 0.000 -8.022) 8.913 0.413 ( 3.886 0.000 8.022) 8.913 0.471 ( 1.532 0.000 -11.940) 12.038 0.471 ( 1.532 0.000 11.940) 12.038 0.794 ( 3.666 0.000 -9.463) 10.148 0.794 ( 3.666 0.000 9.463) 10.148 0.808 ( 2.514 0.000 -1.841) 3.116 0.808 ( 2.514 0.000 1.841) 3.116 0.951 ( 0.526 0.000 -9.773) 9.787 0.951 ( 0.526 0.000 9.773) 9.787 1.227 ( -4.285 0.000 -1.117) 4.428 1.227 ( -4.285 0.000 1.117) 4.428 1.272 ( 4.202 0.000 -5.204) 6.688 1.272 ( 4.202 0.000 5.204) 6.688 1.399 ( 3.200 0.000 -2.400) 4.001 1.399 ( 3.200 0.000 2.400) 4.001 1.510 ( -4.740 0.000 -5.468) 7.237 1.510 ( -4.740 0.000 5.468) 7.237 1.860 ( 2.721 0.000 -3.475) 4.413 1.860 ( 2.721 0.000 3.475) 4.413 1.965 ( 2.803 0.000 -4.702) 5.474 1.965 ( 2.803 0.000 4.702) 5.474 2.080 ( 0.477 0.000 -5.673) 5.693 2.080 ( 0.477 0.000 5.673) 5.693 2.201 ( -3.591 0.000 -0.962) 3.718 2.201 ( -3.591 0.000 0.962) 3.718 2.349 ( 4.720 0.000 -7.263) 8.662 2.349 ( 4.720 0.000 7.263) 8.662 2.438 ( 2.036 0.000 -3.736) 4.255 2.438 ( 2.036 0.000 3.736) 4.255 2.607 ( -4.716 0.000 -2.277) 5.237 2.607 ( -4.716 0.000 2.277) 5.237 2.733 ( -0.892 0.000 -0.724) 1.149 2.733 ( -0.892 0.000 0.724) 1.149 2.832 ( 0.061 0.000 -0.974) 0.976 2.832 ( 0.061 0.000 0.974) 0.976 8.910 ( -0.289 0.000 -0.150) 0.326 8.910 ( -0.289 0.000 0.150) 0.326 9.304 ( -1.281 0.000 -1.459) 1.941 9.304 ( -1.281 0.000 1.459) 1.941 9.549 ( -0.378 0.000 -2.305) 2.336 9.549 ( -0.378 0.000 2.305) 2.336 9.574 ( -0.299 0.000 -1.949) 1.972 9.574 ( -0.299 0.000 1.949) 1.972 9.642 ( -0.968 0.000 -0.520) 1.098 9.642 ( -0.968 0.000 0.520) 1.098 9.724 ( -2.313 0.000 -1.007) 2.522 9.724 ( -2.313 0.000 1.007) 2.522 9.801 ( 1.064 0.000 -1.061) 1.502 9.801 ( 1.064 0.000 1.061) 1.502 9.816 ( 0.098 0.000 -2.172) 2.174 9.816 ( 0.098 0.000 2.172) 2.174 9.913 ( 0.148 0.000 -0.144) 0.206 9.913 ( 0.148 0.000 0.144) 0.206 10.032 ( -0.834 0.000 -1.612) 1.815 10.032 ( -0.834 0.000 1.612) 1.815 27.278 ( 3.697 0.000 -1.241) 3.900 27.278 ( 3.697 0.000 1.241) 3.900 27.316 ( 1.272 0.000 -0.337) 1.316 27.316 ( 1.272 0.000 0.337) 1.316 27.399 ( 8.051 0.000 -3.160) 8.649 27.399 ( 8.051 0.000 3.160) 8.649 27.673 ( -1.087 0.000 -0.304) 1.129 27.673 ( -1.087 0.000 0.304) 1.129 28.091 ( 0.037 0.000 -5.309) 5.310 28.091 ( 0.037 0.000 5.309) 5.310 28.632 ( -9.579 0.000 -2.916) 10.013 28.632 ( -9.579 0.000 2.916) 10.013 29.457 ( -0.036 0.000 -0.084) 0.091 29.457 ( -0.036 0.000 0.084) 0.091 29.484 ( 0.236 0.000 -0.299) 0.381 29.484 ( 0.236 0.000 0.299) 0.381 ======================= Grid point 166 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 2.135 0.000 -10.091) 10.314 0.493 ( 2.135 0.000 10.091) 10.314 0.501 ( 4.832 0.000 -6.608) 8.186 0.501 ( 4.832 0.000 6.608) 8.186 0.871 ( 3.307 0.000 -1.315) 3.559 0.871 ( 3.307 0.000 1.315) 3.559 0.900 ( 5.551 0.000 -4.009) 6.847 0.900 ( 5.551 0.000 4.009) 6.847 1.056 ( 9.521 0.000 -13.501) 16.521 1.056 ( 9.521 0.000 13.501) 16.521 1.125 ( -4.836 0.000 -1.715) 5.131 1.125 ( -4.836 0.000 1.715) 5.131 1.368 ( 5.012 0.000 -5.665) 7.564 1.368 ( 5.012 0.000 5.665) 7.564 1.418 ( -3.899 0.000 -6.650) 7.709 1.418 ( -3.899 0.000 6.650) 7.709 1.483 ( 4.192 0.000 -3.575) 5.509 1.483 ( 4.192 0.000 3.575) 5.509 1.869 ( -0.844 0.000 -3.238) 3.347 1.869 ( -0.844 0.000 3.238) 3.347 2.006 ( 0.742 0.000 -1.313) 1.508 2.006 ( 0.742 0.000 1.313) 1.508 2.099 ( 0.664 0.000 -4.955) 4.999 2.099 ( 0.664 0.000 4.955) 4.999 2.148 ( -0.877 0.000 -0.747) 1.152 2.148 ( -0.877 0.000 0.747) 1.152 2.383 ( -2.293 0.000 -5.009) 5.509 2.383 ( -2.293 0.000 5.009) 5.509 2.476 ( 1.736 0.000 -3.104) 3.557 2.476 ( 1.736 0.000 3.104) 3.557 2.565 ( 1.568 0.000 -0.977) 1.847 2.565 ( 1.568 0.000 0.977) 1.847 2.705 ( -1.989 0.000 -1.456) 2.465 2.705 ( -1.989 0.000 1.456) 2.465 2.817 ( -1.511 0.000 -0.810) 1.715 2.817 ( -1.511 0.000 0.810) 1.715 8.903 ( -0.427 0.000 -0.052) 0.430 8.903 ( -0.427 0.000 0.052) 0.430 9.265 ( -2.573 0.000 -1.310) 2.887 9.265 ( -2.573 0.000 1.310) 2.887 9.537 ( -1.072 0.000 -0.895) 1.396 9.537 ( -1.072 0.000 0.895) 1.396 9.566 ( -0.548 0.000 -1.506) 1.603 9.566 ( -0.548 0.000 1.506) 1.603 9.613 ( -1.909 0.000 -1.238) 2.275 9.613 ( -1.909 0.000 1.238) 2.275 9.683 ( -1.728 0.000 -0.419) 1.778 9.683 ( -1.728 0.000 0.419) 1.778 9.820 ( 0.342 0.000 -1.762) 1.795 9.820 ( 0.342 0.000 1.762) 1.795 9.833 ( 2.162 0.000 -1.195) 2.470 9.833 ( 2.162 0.000 1.195) 2.470 9.916 ( 0.107 0.000 -0.298) 0.317 9.916 ( 0.107 0.000 0.298) 0.317 10.014 ( -0.864 0.000 -1.705) 1.911 10.014 ( -0.864 0.000 1.705) 1.911 27.351 ( 2.347 0.000 -0.333) 2.370 27.351 ( 2.347 0.000 0.333) 2.370 27.366 ( 5.175 0.000 -0.652) 5.216 27.366 ( 5.175 0.000 0.652) 5.216 27.559 ( 7.580 0.000 -5.805) 9.548 27.559 ( 7.580 0.000 5.805) 9.548 27.642 ( -2.062 0.000 -0.304) 2.085 27.642 ( -2.062 0.000 0.304) 2.085 28.073 ( -2.286 0.000 -5.668) 6.112 28.073 ( -2.286 0.000 5.668) 6.112 28.453 ( -7.554 0.000 -4.126) 8.607 28.453 ( -7.554 0.000 4.126) 8.607 29.455 ( -0.215 0.000 -0.097) 0.235 29.455 ( -0.215 0.000 0.097) 0.235 29.488 ( 0.254 0.000 -0.396) 0.470 29.488 ( 0.254 0.000 0.396) 0.470 ======================= Grid point 168 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 5.255 0.000 -6.008) 7.982 0.569 ( 5.255 0.000 6.008) 7.982 0.591 ( 4.319 0.000 -5.917) 7.326 0.591 ( 4.319 0.000 5.917) 7.326 0.886 ( -2.445 0.000 -1.858) 3.071 0.886 ( -2.445 0.000 1.858) 3.071 0.983 ( 3.047 0.000 -5.499) 6.286 0.983 ( 3.047 0.000 5.499) 6.286 1.108 ( 4.079 0.000 -0.144) 4.082 1.108 ( 4.079 0.000 0.144) 4.082 1.218 ( 2.430 0.000 -7.855) 8.222 1.218 ( 2.430 0.000 7.855) 8.222 1.372 ( 3.163 0.000 -6.404) 7.143 1.372 ( 3.163 0.000 6.404) 7.143 1.488 ( 6.145 0.000 -5.404) 8.183 1.488 ( 6.145 0.000 5.404) 8.183 1.510 ( -2.217 0.000 -2.843) 3.605 1.510 ( -2.217 0.000 2.843) 3.605 1.850 ( -0.742 0.000 -2.668) 2.769 1.850 ( -0.742 0.000 2.668) 2.769 2.022 ( 2.157 0.000 -0.719) 2.273 2.022 ( 2.157 0.000 0.719) 2.273 2.096 ( -0.845 0.000 -3.361) 3.466 2.096 ( -0.845 0.000 3.361) 3.466 2.160 ( 1.034 0.000 -1.521) 1.840 2.160 ( 1.034 0.000 1.521) 1.840 2.309 ( -4.309 0.000 -3.011) 5.257 2.309 ( -4.309 0.000 3.011) 5.257 2.507 ( 1.575 0.000 -3.052) 3.434 2.507 ( 1.575 0.000 3.052) 3.434 2.620 ( 2.991 0.000 -2.313) 3.781 2.620 ( 2.991 0.000 2.313) 3.781 2.656 ( -3.026 0.000 -2.663) 4.031 2.656 ( -3.026 0.000 2.663) 4.031 2.778 ( -2.330 0.000 -1.197) 2.620 2.778 ( -2.330 0.000 1.197) 2.620 8.895 ( -0.360 0.000 -0.021) 0.360 8.895 ( -0.360 0.000 0.021) 0.360 9.215 ( -2.373 0.000 -0.694) 2.472 9.215 ( -2.373 0.000 0.694) 2.472 9.508 ( -1.661 0.000 -0.357) 1.699 9.508 ( -1.661 0.000 0.357) 1.699 9.554 ( -0.560 0.000 -0.901) 1.061 9.554 ( -0.560 0.000 0.901) 1.061 9.577 ( -1.596 0.000 -0.789) 1.780 9.577 ( -1.596 0.000 0.789) 1.780 9.657 ( -1.029 0.000 -0.337) 1.083 9.657 ( -1.029 0.000 0.337) 1.083 9.829 ( 0.506 0.000 -1.150) 1.256 9.829 ( 0.506 0.000 1.150) 1.256 9.879 ( 2.331 0.000 -1.298) 2.668 9.879 ( 2.331 0.000 1.298) 2.668 9.916 ( -0.050 0.000 -0.431) 0.434 9.916 ( -0.050 0.000 0.431) 0.434 10.001 ( -0.585 0.000 -1.948) 2.034 10.001 ( -0.585 0.000 1.948) 2.034 27.405 ( 3.074 0.000 -0.324) 3.091 27.405 ( 3.074 0.000 0.324) 3.091 27.469 ( 5.152 0.000 -1.163) 5.281 27.469 ( 5.152 0.000 1.163) 5.281 27.594 ( -2.824 0.000 -0.300) 2.840 27.594 ( -2.824 0.000 0.300) 2.840 27.680 ( 4.659 0.000 -5.475) 7.189 27.680 ( 4.659 0.000 5.475) 7.189 27.999 ( -4.815 0.000 -4.185) 6.380 27.999 ( -4.815 0.000 4.185) 6.380 28.357 ( -2.576 0.000 -2.454) 3.558 28.357 ( -2.576 0.000 2.454) 3.558 29.449 ( -0.342 0.000 -0.065) 0.348 29.449 ( -0.342 0.000 0.065) 0.348 29.494 ( 0.261 0.000 -0.248) 0.360 29.494 ( 0.261 0.000 0.248) 0.360 ======================= Grid point 170 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 2.531 0.000 -3.582) 4.386 0.662 ( 2.531 0.000 3.582) 4.386 0.665 ( 3.463 0.000 -2.918) 4.528 0.665 ( 3.463 0.000 2.918) 4.528 0.824 ( -2.612 0.000 -2.490) 3.609 0.824 ( -2.612 0.000 2.490) 3.609 1.015 ( 0.324 0.000 -3.370) 3.386 1.015 ( 0.324 0.000 3.370) 3.386 1.196 ( -1.363 0.000 -4.040) 4.264 1.196 ( -1.363 0.000 4.040) 4.264 1.237 ( 7.870 0.000 -1.052) 7.940 1.237 ( 7.870 0.000 1.052) 7.940 1.408 ( -7.262 0.000 -1.618) 7.440 1.408 ( -7.262 0.000 1.618) 7.440 1.434 ( 1.065 0.000 -2.407) 2.632 1.434 ( 1.065 0.000 2.407) 2.632 1.626 ( 6.134 0.000 -3.888) 7.262 1.626 ( 6.134 0.000 3.888) 7.262 1.840 ( -0.613 0.000 -1.961) 2.054 1.840 ( -0.613 0.000 1.961) 2.054 2.079 ( -0.552 0.000 -1.282) 1.395 2.079 ( -0.552 0.000 1.282) 1.395 2.083 ( 2.893 0.000 -0.570) 2.949 2.083 ( 2.893 0.000 0.570) 2.949 2.166 ( -0.406 0.000 -0.723) 0.829 2.166 ( -0.406 0.000 0.723) 0.829 2.235 ( -2.693 0.000 -1.942) 3.320 2.235 ( -2.693 0.000 1.942) 3.320 2.542 ( 2.172 0.000 -3.514) 4.131 2.542 ( 2.172 0.000 3.514) 4.131 2.594 ( -3.120 0.000 -3.591) 4.757 2.594 ( -3.120 0.000 3.591) 4.757 2.673 ( 2.429 0.000 -1.166) 2.695 2.673 ( 2.429 0.000 1.166) 2.695 2.732 ( -2.317 0.000 -0.533) 2.377 2.732 ( -2.317 0.000 0.533) 2.377 8.890 ( -0.138 0.000 -0.019) 0.140 8.890 ( -0.138 0.000 0.019) 0.140 9.181 ( -0.953 0.000 -0.182) 0.970 9.181 ( -0.953 0.000 0.182) 0.970 9.482 ( -0.807 0.000 -0.108) 0.814 9.482 ( -0.807 0.000 0.108) 0.814 9.546 ( -0.239 0.000 -0.292) 0.377 9.546 ( -0.239 0.000 0.292) 0.377 9.556 ( -0.531 0.000 -0.191) 0.564 9.556 ( -0.531 0.000 0.191) 0.564 9.643 ( -0.409 0.000 -0.271) 0.491 9.643 ( -0.409 0.000 0.271) 0.491 9.837 ( 0.266 0.000 -0.411) 0.489 9.837 ( 0.266 0.000 0.411) 0.489 9.915 ( -0.072 0.000 -0.220) 0.232 9.915 ( -0.072 0.000 0.220) 0.232 9.915 ( 1.137 0.000 -0.869) 1.431 9.915 ( 1.137 0.000 0.869) 1.431 9.991 ( -0.346 0.000 -1.163) 1.213 9.991 ( -0.346 0.000 1.163) 1.213 27.468 ( 3.334 0.000 -0.305) 3.348 27.468 ( 3.334 0.000 0.305) 3.348 27.535 ( -3.236 0.000 -0.296) 3.249 27.535 ( -3.236 0.000 0.296) 3.249 27.554 ( 2.988 0.000 -1.180) 3.213 27.554 ( 2.988 0.000 1.180) 3.213 27.730 ( 0.587 0.000 -3.353) 3.404 27.730 ( 0.587 0.000 3.353) 3.404 27.923 ( -2.157 0.000 -1.152) 2.445 27.923 ( -2.157 0.000 1.152) 2.445 28.332 ( -0.478 0.000 -0.721) 0.865 28.332 ( -0.478 0.000 0.721) 0.865 29.443 ( -0.169 0.000 -0.022) 0.171 29.443 ( -0.169 0.000 0.022) 0.171 29.497 ( 0.116 0.000 -0.077) 0.140 29.497 ( 0.116 0.000 0.077) 0.140 ======================= Grid point 180 (56/75) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 7.195 -2.241) 7.536 0.476 ( 0.000 7.195 2.241) 7.536 0.501 ( 0.000 5.289 -0.823) 5.353 0.501 ( 0.000 5.289 0.823) 5.353 0.750 ( 0.000 -2.392 -7.617) 7.984 0.750 ( 0.000 -2.392 7.617) 7.984 0.925 ( 0.000 10.486 -1.731) 10.628 0.925 ( 0.000 10.486 1.731) 10.628 1.031 ( 0.000 7.540 -5.853) 9.545 1.031 ( 0.000 7.540 5.853) 9.545 1.195 ( 0.000 -1.246 -5.727) 5.861 1.195 ( 0.000 -1.246 5.727) 5.861 1.340 ( 0.000 4.197 -2.636) 4.956 1.340 ( 0.000 4.197 2.636) 4.956 1.350 ( 0.000 -1.559 -3.530) 3.859 1.350 ( 0.000 -1.559 3.530) 3.859 1.620 ( 0.000 4.229 -0.719) 4.289 1.620 ( 0.000 4.229 0.719) 4.289 1.736 ( 0.000 -4.484 -3.185) 5.500 1.736 ( 0.000 -4.484 3.185) 5.500 1.985 ( 0.000 -1.911 -4.921) 5.279 1.985 ( 0.000 -1.911 4.921) 5.279 2.053 ( 0.000 4.223 -0.756) 4.291 2.053 ( 0.000 4.223 0.756) 4.291 2.207 ( 0.000 -1.067 -3.664) 3.816 2.207 ( 0.000 -1.067 3.664) 3.816 2.365 ( 0.000 4.108 -7.116) 8.216 2.365 ( 0.000 4.108 7.116) 8.216 2.511 ( 0.000 7.169 -3.727) 8.080 2.511 ( 0.000 7.169 3.727) 8.080 2.639 ( 0.000 -1.804 -0.589) 1.898 2.639 ( 0.000 -1.804 0.589) 1.898 2.795 ( 0.000 4.677 -0.318) 4.688 2.795 ( 0.000 4.677 0.318) 4.688 2.850 ( 0.000 2.282 -1.459) 2.709 2.850 ( 0.000 2.282 1.459) 2.709 8.972 ( 0.000 4.633 -1.573) 4.893 8.972 ( 0.000 4.633 1.573) 4.893 9.309 ( 0.000 -0.572 -1.022) 1.171 9.309 ( 0.000 -0.572 1.022) 1.171 9.522 ( 0.000 -2.578 -3.189) 4.101 9.522 ( 0.000 -2.578 3.189) 4.101 9.570 ( 0.000 -0.840 -1.333) 1.575 9.570 ( 0.000 -0.840 1.333) 1.575 9.649 ( 0.000 -0.148 -0.529) 0.549 9.649 ( 0.000 -0.148 0.529) 0.549 9.726 ( 0.000 -1.906 -1.505) 2.428 9.726 ( 0.000 -1.906 1.505) 2.428 9.775 ( 0.000 -1.301 -0.184) 1.314 9.775 ( 0.000 -1.301 0.184) 1.314 9.815 ( 0.000 -0.170 -2.250) 2.257 9.815 ( 0.000 -0.170 2.250) 2.257 9.900 ( 0.000 -1.016 -0.506) 1.135 9.900 ( 0.000 -1.016 0.506) 1.135 10.033 ( 0.000 -0.698 -1.907) 2.030 10.033 ( 0.000 -0.698 1.907) 2.030 27.221 ( 0.000 -0.841 -0.356) 0.914 27.221 ( 0.000 -0.841 0.356) 0.914 27.290 ( 0.000 -1.031 -0.648) 1.218 27.290 ( 0.000 -1.031 0.648) 1.218 27.361 ( 0.000 3.782 -1.162) 3.957 27.361 ( 0.000 3.782 1.162) 3.957 27.698 ( 0.000 1.657 -1.384) 2.159 27.698 ( 0.000 1.657 1.384) 2.159 28.049 ( 0.000 -3.587 -4.237) 5.552 28.049 ( 0.000 -3.587 4.237) 5.552 28.753 ( 0.000 0.725 -1.947) 2.078 28.753 ( 0.000 0.725 1.947) 2.078 29.452 ( 0.000 -0.375 -0.039) 0.377 29.452 ( 0.000 -0.375 0.039) 0.377 29.477 ( 0.000 -0.296 -0.018) 0.297 29.477 ( 0.000 -0.296 0.018) 0.297 ======================= Grid point 182 (57/75) ======================= q-point: ( 0.11 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -1.555 1.773 -9.507) 9.795 0.444 ( -1.555 1.773 9.507) 9.795 0.560 ( 3.167 6.911 -8.005) 11.040 0.560 ( 3.167 6.911 8.005) 11.040 0.767 ( 3.611 -1.896 -3.697) 5.505 0.767 ( 3.611 -1.896 3.697) 5.505 0.941 ( 0.721 9.549 -2.773) 9.970 0.941 ( 0.721 9.549 2.773) 9.970 1.037 ( 2.917 9.596 -8.014) 12.838 1.037 ( 2.917 9.596 8.014) 12.838 1.238 ( 3.470 -2.369 -5.319) 6.778 1.238 ( 3.470 -2.369 5.319) 6.778 1.278 ( -4.570 2.518 -2.493) 5.783 1.278 ( -4.570 2.518 2.493) 5.783 1.385 ( 1.825 -0.146 -2.370) 2.995 1.385 ( 1.825 -0.146 2.370) 2.995 1.574 ( -2.000 5.365 -1.632) 5.954 1.574 ( -2.000 5.365 1.632) 5.954 1.802 ( 3.420 -4.478 -3.525) 6.647 1.802 ( 3.420 -4.478 3.525) 6.647 1.994 ( 0.306 -1.271 -5.112) 5.277 1.994 ( 0.306 -1.271 5.112) 5.277 2.071 ( 1.721 3.632 -2.953) 4.988 2.071 ( 1.721 3.632 2.953) 4.988 2.233 ( 1.548 0.320 -2.340) 2.824 2.233 ( 1.548 0.320 2.340) 2.824 2.337 ( -1.828 1.456 -6.373) 6.788 2.337 ( -1.828 1.456 6.373) 6.788 2.527 ( 1.370 4.680 -3.178) 5.821 2.527 ( 1.370 4.680 3.178) 5.821 2.595 ( -3.581 0.927 -1.858) 4.139 2.595 ( -3.581 0.927 1.858) 4.139 2.787 ( -0.799 4.598 -1.193) 4.817 2.787 ( -0.799 4.598 1.193) 4.817 2.847 ( -0.541 1.678 -0.922) 1.989 2.847 ( -0.541 1.678 0.922) 1.989 8.962 ( -0.941 4.232 -0.963) 4.441 8.962 ( -0.941 4.232 0.963) 4.441 9.293 ( -1.706 -1.041 -1.251) 2.358 9.293 ( -1.706 -1.041 1.251) 2.358 9.516 ( -0.521 -2.614 -2.661) 3.766 9.516 ( -0.521 -2.614 2.661) 3.766 9.569 ( -0.056 -0.708 -1.663) 1.808 9.569 ( -0.056 -0.708 1.663) 1.808 9.640 ( -0.901 -0.140 -0.465) 1.023 9.640 ( -0.901 -0.140 0.465) 1.023 9.705 ( -1.850 -1.471 -1.150) 2.628 9.705 ( -1.850 -1.471 1.150) 2.628 9.785 ( 0.784 -1.284 -0.930) 1.769 9.785 ( 0.784 -1.284 0.930) 1.769 9.822 ( 0.900 0.289 -1.841) 2.070 9.822 ( 0.900 0.289 1.841) 2.070 9.901 ( 0.153 -1.011 -0.431) 1.110 9.901 ( 0.153 -1.011 0.431) 1.110 10.029 ( -0.440 -0.330 -1.841) 1.922 10.029 ( -0.440 -0.330 1.841) 1.922 27.243 ( 2.172 -1.435 -1.152) 2.847 27.243 ( 2.172 -1.435 1.152) 2.847 27.359 ( 4.708 -0.707 -2.412) 5.337 27.359 ( 4.708 -0.707 2.412) 5.337 27.392 ( 4.296 2.355 -1.346) 5.081 27.392 ( 4.296 2.355 1.346) 5.081 27.694 ( -0.360 2.069 -1.593) 2.636 27.694 ( -0.360 2.069 1.593) 2.636 28.054 ( 0.355 -3.451 -4.534) 5.709 28.054 ( 0.355 -3.451 4.534) 5.709 28.654 ( -8.808 1.857 -2.048) 9.231 28.654 ( -8.808 1.857 2.048) 9.231 29.452 ( -0.001 -0.362 -0.019) 0.363 29.452 ( -0.001 -0.362 0.019) 0.363 29.479 ( 0.108 -0.424 -0.142) 0.460 29.479 ( 0.108 -0.424 0.142) 0.460 ======================= Grid point 184 (58/75) ======================= q-point: ( 0.22 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 1.839 -2.603 -11.217) 11.661 0.437 ( 1.839 -2.603 11.217) 11.661 0.632 ( 4.348 7.762 -4.119) 9.804 0.632 ( 4.348 7.762 4.119) 9.804 0.879 ( 6.057 -1.147 -0.953) 6.238 0.879 ( 6.057 -1.147 0.953) 6.238 0.968 ( 2.937 7.326 -4.267) 8.973 0.968 ( 2.937 7.326 4.267) 8.973 1.133 ( 4.030 8.595 -4.565) 10.533 1.133 ( 4.030 8.595 4.565) 10.533 1.188 ( -2.661 3.140 -3.403) 5.340 1.188 ( -2.661 3.140 3.403) 5.340 1.326 ( 5.695 -2.899 -5.937) 8.723 1.326 ( 5.695 -2.899 5.937) 8.723 1.385 ( -1.374 -0.658 -4.641) 4.884 1.385 ( -1.374 -0.658 4.641) 4.884 1.586 ( 2.357 7.081 -2.412) 7.843 1.586 ( 2.357 7.081 2.412) 7.843 1.830 ( -0.086 -3.441 -3.140) 4.659 1.830 ( -0.086 -3.441 3.140) 4.659 1.998 ( -0.134 -1.923 -4.042) 4.478 1.998 ( -0.134 -1.923 4.042) 4.478 2.094 ( 0.503 2.356 -3.990) 4.661 2.094 ( 0.503 2.356 3.990) 4.661 2.213 ( -2.692 3.096 -2.845) 4.993 2.213 ( -2.692 3.096 2.845) 4.993 2.335 ( 0.257 -2.927 -2.816) 4.070 2.335 ( 0.257 -2.927 2.816) 4.070 2.537 ( -0.910 1.103 -1.300) 1.932 2.537 ( -0.910 1.103 1.300) 1.932 2.562 ( 1.394 3.953 -3.628) 5.543 2.562 ( 1.394 3.953 3.628) 5.543 2.765 ( -1.523 4.567 -2.186) 5.287 2.765 ( -1.523 4.567 2.186) 5.287 2.824 ( -1.772 1.192 -1.072) 2.389 2.824 ( -1.772 1.192 1.072) 2.389 8.941 ( -1.081 3.326 -0.205) 3.503 8.941 ( -1.081 3.326 0.205) 3.503 9.247 ( -2.808 -1.621 -1.152) 3.440 9.247 ( -2.808 -1.621 1.152) 3.440 9.504 ( -0.764 -2.606 -1.036) 2.907 9.504 ( -0.764 -2.606 1.036) 2.907 9.564 ( -0.631 -0.399 -1.027) 1.270 9.564 ( -0.631 -0.399 1.027) 1.270 9.615 ( -1.634 0.115 -1.006) 1.923 9.615 ( -1.634 0.115 1.006) 1.923 9.668 ( -1.735 -1.287 -0.488) 2.215 9.668 ( -1.735 -1.287 0.488) 2.215 9.798 ( 0.526 -1.378 -1.016) 1.791 9.798 ( 0.526 -1.378 1.016) 1.791 9.854 ( 2.333 1.054 -0.238) 2.571 9.854 ( 2.333 1.054 0.238) 2.571 9.906 ( 0.357 -0.713 -0.175) 0.816 9.906 ( 0.357 -0.713 0.175) 0.816 10.019 ( -0.533 0.354 -2.162) 2.254 10.019 ( -0.533 0.354 2.162) 2.254 27.296 ( 3.093 -2.103 -0.926) 3.853 27.296 ( 3.093 -2.103 0.926) 3.853 27.432 ( 3.740 1.974 -2.034) 4.693 27.432 ( 3.740 1.974 2.034) 4.693 27.512 ( 5.760 -1.751 -3.159) 6.798 27.512 ( 5.760 -1.751 3.159) 6.798 27.692 ( 0.547 3.258 -2.244) 3.994 27.692 ( 0.547 3.258 2.244) 3.994 28.050 ( -1.198 -2.536 -5.228) 5.932 28.050 ( -1.198 -2.536 5.228) 5.932 28.471 ( -8.776 1.841 -3.412) 9.595 28.471 ( -8.776 1.841 3.412) 9.595 29.451 ( -0.159 -0.301 -0.022) 0.341 29.451 ( -0.159 -0.301 0.022) 0.341 29.481 ( 0.180 -0.596 -0.233) 0.665 29.481 ( 0.180 -0.596 0.233) 0.665 ======================= Grid point 186 (59/75) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 5.797 -2.846 -7.232) 9.696 0.517 ( 5.797 -2.846 7.232) 9.696 0.713 ( 3.710 7.985 -3.715) 9.556 0.713 ( 3.710 7.985 3.715) 9.556 0.940 ( 0.145 2.759 -2.813) 3.943 0.940 ( 0.145 2.759 2.813) 3.943 1.030 ( -0.600 3.222 -2.295) 4.000 1.030 ( -0.600 3.222 2.295) 4.000 1.135 ( 4.940 3.563 -0.544) 6.115 1.135 ( 4.940 3.563 0.544) 6.115 1.219 ( -0.221 0.859 -5.919) 5.985 1.219 ( -0.221 0.859 5.919) 5.985 1.393 ( 2.642 1.110 -4.124) 5.022 1.393 ( 2.642 1.110 4.124) 5.022 1.465 ( 7.997 -0.201 -6.839) 10.524 1.465 ( 7.997 -0.201 6.839) 10.524 1.593 ( -2.441 6.132 -1.791) 6.839 1.593 ( -2.441 6.132 1.791) 6.839 1.827 ( 0.153 -2.027 -1.773) 2.697 1.827 ( 0.153 -2.027 1.773) 2.697 1.996 ( 0.614 -2.152 -1.885) 2.926 1.996 ( 0.614 -2.152 1.885) 2.926 2.088 ( -0.908 -0.713 -3.217) 3.418 2.088 ( -0.908 -0.713 3.217) 3.418 2.182 ( -0.502 1.230 -1.836) 2.266 2.182 ( -0.502 1.230 1.836) 2.266 2.306 ( -2.829 0.425 -2.970) 4.124 2.306 ( -2.829 0.425 2.970) 4.124 2.549 ( 1.583 3.498 -2.445) 4.552 2.549 ( 1.583 3.498 2.445) 4.552 2.589 ( 1.202 -0.600 -0.861) 1.596 2.589 ( 1.202 -0.600 0.861) 1.596 2.732 ( -1.696 4.549 -2.216) 5.337 2.732 ( -1.696 4.549 2.216) 5.337 2.782 ( -2.434 1.091 -1.536) 3.078 2.782 ( -2.434 1.091 1.536) 3.078 8.922 ( -0.793 2.464 -0.072) 2.589 8.922 ( -0.793 2.464 0.072) 2.589 9.193 ( -2.482 -1.903 -0.609) 3.186 9.193 ( -2.482 -1.903 0.609) 3.186 9.487 ( -0.954 -2.105 -0.327) 2.334 9.487 ( -0.954 -2.105 0.327) 2.334 9.547 ( -0.913 -0.387 -0.367) 1.058 9.547 ( -0.913 -0.387 0.367) 1.058 9.583 ( -1.548 0.446 -0.725) 1.767 9.583 ( -1.548 0.446 0.725) 1.767 9.642 ( -0.950 -1.355 -0.184) 1.665 9.642 ( -0.950 -1.355 0.184) 1.665 9.807 ( 0.413 -1.431 -0.881) 1.731 9.807 ( 0.413 -1.431 0.881) 1.731 9.897 ( 1.441 -0.043 -0.866) 1.682 9.897 ( 1.441 -0.043 0.866) 1.682 9.920 ( 1.433 1.291 -0.800) 2.088 9.920 ( 1.433 1.291 0.800) 2.088 10.009 ( -0.522 0.828 -2.707) 2.878 10.009 ( -0.522 0.828 2.707) 2.878 27.359 ( 3.259 -2.388 -1.078) 4.182 27.359 ( 3.259 -2.388 1.078) 4.182 27.494 ( 1.730 -1.111 -2.255) 3.052 27.494 ( 1.730 -1.111 2.255) 3.052 27.590 ( 3.108 2.482 -1.189) 4.151 27.590 ( 3.108 2.482 1.189) 4.151 27.730 ( 2.981 3.112 -3.307) 5.432 27.730 ( 2.981 3.112 3.307) 5.432 27.994 ( -4.416 -0.699 -4.781) 6.546 27.994 ( -4.416 -0.699 4.781) 6.546 28.345 ( -4.055 -0.767 -2.607) 4.881 28.345 ( -4.055 -0.767 2.607) 4.881 29.446 ( -0.296 -0.215 -0.029) 0.367 29.446 ( -0.296 -0.215 0.029) 0.367 29.485 ( 0.230 -0.698 -0.159) 0.752 29.485 ( 0.230 -0.698 0.159) 0.752 ======================= Grid point 188 (60/75) ======================= q-point: ( 0.44 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 4.935 -2.053 -3.887) 6.609 0.632 ( 4.935 -2.053 3.887) 6.609 0.759 ( 0.446 6.658 -2.018) 6.971 0.759 ( 0.446 6.658 2.018) 6.971 0.910 ( -1.583 6.530 -1.841) 6.967 0.910 ( -1.583 6.530 1.841) 6.967 0.995 ( -1.589 -1.518 -2.915) 3.651 0.995 ( -1.589 -1.518 2.915) 3.651 1.199 ( -0.471 0.848 -2.924) 3.080 1.199 ( -0.471 0.848 2.924) 3.080 1.291 ( 8.706 3.994 -1.587) 9.709 1.291 ( 8.706 3.994 1.587) 9.709 1.425 ( 0.265 -0.416 -2.068) 2.126 1.425 ( 0.265 -0.416 2.068) 2.126 1.468 ( -7.093 3.993 -1.431) 8.264 1.468 ( -7.093 3.993 1.431) 8.264 1.639 ( 5.815 1.818 -3.621) 7.087 1.639 ( 5.815 1.818 3.621) 7.087 1.826 ( -0.486 -1.147 -1.340) 1.830 1.826 ( -0.486 -1.147 1.340) 1.830 2.023 ( 1.806 -3.791 -0.998) 4.316 2.023 ( 1.806 -3.791 0.998) 4.316 2.069 ( -1.239 -1.399 -1.178) 2.209 2.069 ( -1.239 -1.399 1.178) 2.209 2.174 ( -0.316 0.265 -0.839) 0.935 2.174 ( -0.316 0.265 0.839) 0.935 2.255 ( -1.692 2.275 -1.438) 3.179 2.255 ( -1.692 2.275 1.438) 3.179 2.569 ( 0.229 1.603 -2.291) 2.805 2.569 ( 0.229 1.603 2.291) 2.805 2.615 ( 1.246 2.159 -1.714) 3.025 2.615 ( 1.246 2.159 1.714) 3.025 2.711 ( -0.040 3.199 -0.855) 3.311 2.711 ( -0.040 3.199 0.855) 3.311 2.735 ( -2.185 1.028 -0.882) 2.570 2.735 ( -2.185 1.028 0.882) 2.570 8.912 ( -0.290 1.968 -0.053) 1.990 8.912 ( -0.290 1.968 0.053) 1.990 9.158 ( -0.990 -2.023 -0.159) 2.257 9.158 ( -0.990 -2.023 0.159) 2.257 9.471 ( -0.531 -1.387 -0.123) 1.490 9.471 ( -0.531 -1.387 0.123) 1.490 9.536 ( -0.147 -0.839 -0.173) 0.869 9.536 ( -0.147 -0.839 0.173) 0.869 9.559 ( -0.765 0.657 -0.172) 1.023 9.559 ( -0.765 0.657 0.172) 1.023 9.630 ( -0.327 -1.234 -0.103) 1.281 9.630 ( -0.327 -1.234 0.103) 1.281 9.813 ( 0.180 -1.533 -0.334) 1.579 9.813 ( 0.180 -1.533 0.334) 1.579 9.909 ( 0.164 -0.652 -0.226) 0.710 9.909 ( 0.164 -0.652 0.226) 0.710 9.955 ( 1.478 2.734 -1.646) 3.517 9.955 ( 1.478 2.734 1.646) 3.517 9.997 ( -0.656 0.773 -2.237) 2.456 9.997 ( -0.656 0.773 2.237) 2.456 27.419 ( 2.628 -2.696 -0.994) 3.894 27.419 ( 2.628 -2.696 0.994) 3.894 27.488 ( -1.562 -2.523 -1.454) 3.304 27.488 ( -1.562 -2.523 1.454) 3.304 27.660 ( 3.391 6.594 -2.081) 7.701 27.660 ( 3.391 6.594 2.081) 7.701 27.770 ( 0.451 2.944 -3.379) 4.504 27.770 ( 0.451 2.944 3.379) 4.504 27.910 ( -3.035 -1.158 -1.802) 3.715 27.910 ( -3.035 -1.158 1.802) 3.715 28.302 ( -0.865 -2.603 -0.858) 2.874 28.302 ( -0.865 -2.603 0.858) 2.874 29.442 ( -0.152 -0.159 -0.013) 0.220 29.442 ( -0.152 -0.159 0.013) 0.220 29.489 ( 0.108 -0.740 -0.050) 0.750 29.489 ( 0.108 -0.740 0.050) 0.750 ======================= Grid point 198 (61/75) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 4.630 -0.337) 4.642 0.597 ( 0.000 4.630 0.337) 4.642 0.661 ( 0.000 9.564 -0.063) 9.564 0.661 ( 0.000 9.564 0.063) 9.564 0.695 ( 0.000 -0.818 -0.814) 1.154 0.695 ( 0.000 -0.818 0.814) 1.154 1.076 ( 0.000 -0.597 -2.122) 2.204 1.076 ( 0.000 -0.597 2.122) 2.204 1.217 ( 0.000 4.228 -2.057) 4.702 1.217 ( 0.000 4.228 2.057) 4.702 1.246 ( 0.000 10.257 -5.795) 11.780 1.246 ( 0.000 10.257 5.795) 11.780 1.349 ( 0.000 2.798 -4.128) 4.988 1.349 ( 0.000 2.798 4.128) 4.988 1.396 ( 0.000 1.934 -1.554) 2.481 1.396 ( 0.000 1.934 1.554) 2.481 1.635 ( 0.000 -4.555 -2.025) 4.985 1.635 ( 0.000 -4.555 2.025) 4.985 1.718 ( 0.000 3.427 -4.941) 6.013 1.718 ( 0.000 3.427 4.941) 6.013 1.942 ( 0.000 0.387 -1.039) 1.109 1.942 ( 0.000 0.387 1.039) 1.109 2.160 ( 0.000 2.558 -1.288) 2.864 2.160 ( 0.000 2.558 1.288) 2.864 2.203 ( 0.000 1.022 -3.341) 3.494 2.203 ( 0.000 1.022 3.341) 3.494 2.418 ( 0.000 -0.757 -8.174) 8.209 2.418 ( 0.000 -0.757 8.174) 8.209 2.582 ( 0.000 3.349 -1.185) 3.553 2.582 ( 0.000 3.349 1.185) 3.553 2.704 ( 0.000 5.079 -3.975) 6.450 2.704 ( 0.000 5.079 3.975) 6.450 2.907 ( 0.000 5.271 -1.767) 5.560 2.907 ( 0.000 5.271 1.767) 5.560 2.934 ( 0.000 6.576 -0.186) 6.578 2.934 ( 0.000 6.576 0.186) 6.578 9.065 ( 0.000 3.638 -1.913) 4.110 9.065 ( 0.000 3.638 1.913) 4.110 9.294 ( 0.000 -0.714 -0.465) 0.852 9.294 ( 0.000 -0.714 0.465) 0.852 9.469 ( 0.000 -2.099 -3.817) 4.356 9.469 ( 0.000 -2.099 3.817) 4.356 9.541 ( 0.000 -1.866 -0.870) 2.059 9.541 ( 0.000 -1.866 0.870) 2.059 9.643 ( 0.000 -0.520 -0.876) 1.019 9.643 ( 0.000 -0.520 0.876) 1.019 9.692 ( 0.000 -1.367 -0.938) 1.658 9.692 ( 0.000 -1.367 0.938) 1.658 9.748 ( 0.000 -1.076 -0.172) 1.090 9.748 ( 0.000 -1.076 0.172) 1.090 9.807 ( 0.000 -0.512 -2.002) 2.067 9.807 ( 0.000 -0.512 2.002) 2.067 9.879 ( 0.000 -0.691 -0.743) 1.015 9.879 ( 0.000 -0.691 0.743) 1.015 10.012 ( 0.000 -1.456 -1.997) 2.472 10.012 ( 0.000 -1.456 1.997) 2.472 27.205 ( 0.000 -0.665 -0.101) 0.672 27.205 ( 0.000 -0.665 0.101) 0.672 27.269 ( 0.000 -0.909 -0.479) 1.028 27.269 ( 0.000 -0.909 0.479) 1.028 27.436 ( 0.000 3.336 -3.671) 4.960 27.436 ( 0.000 3.336 3.671) 4.960 27.746 ( 0.000 1.997 -3.356) 3.905 27.746 ( 0.000 1.997 3.356) 3.905 27.959 ( 0.000 -4.027 -1.735) 4.385 27.959 ( 0.000 -4.027 1.735) 4.385 28.769 ( 0.000 0.732 -0.367) 0.819 28.769 ( 0.000 0.732 0.367) 0.819 29.445 ( 0.000 -0.251 -0.148) 0.291 29.445 ( 0.000 -0.251 0.148) 0.291 29.469 ( 0.000 -0.473 -0.047) 0.475 29.469 ( 0.000 -0.473 0.047) 0.475 ======================= Grid point 200 (62/75) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -6.258 5.410 -7.404) 11.102 0.516 ( -6.258 5.410 7.404) 11.102 0.684 ( 2.573 3.644 -9.787) 10.756 0.684 ( 2.573 3.644 9.787) 10.756 0.754 ( 5.283 3.400 -1.898) 6.563 0.754 ( 5.283 3.400 1.898) 6.563 1.122 ( 3.589 -0.598 -1.704) 4.018 1.122 ( 3.589 -0.598 1.704) 4.018 1.195 ( -2.079 4.462 -4.671) 6.786 1.195 ( -2.079 4.462 4.671) 6.786 1.254 ( 1.089 8.305 -2.257) 8.674 1.254 ( 1.089 8.305 2.257) 8.674 1.332 ( -0.825 4.020 -5.839) 7.136 1.332 ( -0.825 4.020 5.839) 7.136 1.409 ( 0.630 2.192 -1.742) 2.869 1.409 ( 0.630 2.192 1.742) 2.869 1.647 ( 1.430 -1.985 -2.927) 3.814 1.647 ( 1.430 -1.985 2.927) 3.814 1.739 ( 1.952 1.174 -5.971) 6.391 1.739 ( 1.952 1.174 5.971) 6.391 1.970 ( 1.469 0.568 -1.815) 2.404 1.970 ( 1.469 0.568 1.815) 2.404 2.139 ( -0.978 0.822 -0.693) 1.453 2.139 ( -0.978 0.822 0.693) 1.453 2.236 ( 2.392 0.808 -2.961) 3.891 2.236 ( 2.392 0.808 2.961) 3.891 2.364 ( -4.857 -0.552 -6.529) 8.156 2.364 ( -4.857 -0.552 6.529) 8.156 2.572 ( -0.733 3.662 -0.776) 3.815 2.572 ( -0.733 3.662 0.776) 3.815 2.696 ( -0.891 4.597 -4.483) 6.483 2.696 ( -0.891 4.597 4.483) 6.483 2.898 ( -1.241 5.831 -2.694) 6.542 2.898 ( -1.241 5.831 2.694) 6.542 2.923 ( -0.808 5.908 -2.781) 6.580 2.923 ( -0.808 5.908 2.781) 6.580 9.051 ( -1.297 3.721 -1.391) 4.179 9.051 ( -1.297 3.721 1.391) 4.179 9.268 ( -2.537 -1.114 -0.978) 2.938 9.268 ( -2.537 -1.114 0.978) 2.938 9.462 ( -0.588 -2.162 -2.759) 3.554 9.462 ( -0.588 -2.162 2.759) 3.554 9.542 ( 0.151 -1.850 -1.292) 2.261 9.542 ( 0.151 -1.850 1.292) 2.261 9.634 ( -0.842 -0.524 -0.722) 1.227 9.634 ( -0.842 -0.524 0.722) 1.227 9.677 ( -1.471 -1.148 -0.760) 2.015 9.677 ( -1.471 -1.148 0.760) 2.015 9.758 ( 0.790 -1.099 -0.502) 1.443 9.758 ( 0.790 -1.099 0.502) 1.443 9.821 ( 1.352 -0.569 -1.524) 2.115 9.821 ( 1.352 -0.569 1.524) 2.115 9.884 ( 0.651 -0.225 -0.716) 0.994 9.884 ( 0.651 -0.225 0.716) 0.994 10.016 ( 0.380 -1.007 -2.106) 2.365 10.016 ( 0.380 -1.007 2.106) 2.365 27.226 ( 1.842 -0.300 -1.097) 2.164 27.226 ( 1.842 -0.300 1.097) 2.164 27.318 ( 4.553 -2.116 -1.545) 5.253 27.318 ( 4.553 -2.116 1.545) 5.253 27.459 ( 2.420 3.086 -3.146) 5.028 27.459 ( 2.420 3.086 3.146) 5.028 27.749 ( 0.346 2.385 -3.431) 4.193 27.749 ( 0.346 2.385 3.431) 4.193 27.964 ( 0.416 -4.291 -2.277) 4.876 27.964 ( 0.416 -4.291 2.277) 4.876 28.694 ( -7.217 1.669 -0.947) 7.467 28.694 ( -7.217 1.669 0.947) 7.467 29.445 ( 0.003 -0.264 -0.140) 0.298 29.445 ( 0.003 -0.264 0.140) 0.298 29.468 ( -0.070 -0.535 -0.055) 0.543 29.468 ( -0.070 -0.535 0.055) 0.543 ======================= Grid point 202 (63/75) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -0.765 3.602 -11.447) 12.024 0.435 ( -0.765 3.602 11.447) 12.024 0.759 ( 4.630 4.018 -7.870) 9.976 0.759 ( 4.630 4.017 7.870) 9.976 0.873 ( 6.449 1.737 -1.322) 6.808 0.873 ( 6.449 1.737 1.322) 6.808 1.142 ( -2.412 2.100 -5.539) 6.396 1.142 ( -2.412 2.100 5.539) 6.396 1.187 ( 0.991 2.018 -0.760) 2.373 1.187 ( 0.991 2.018 0.760) 2.373 1.271 ( 1.264 2.923 -1.542) 3.538 1.271 ( 1.264 2.923 1.542) 3.538 1.342 ( 0.948 4.271 -5.605) 7.111 1.342 ( 0.948 4.271 5.605) 7.111 1.429 ( 3.005 4.753 -2.963) 6.356 1.429 ( 3.005 4.753 2.963) 6.356 1.700 ( 3.473 -0.558 -2.211) 4.154 1.700 ( 3.473 -0.558 2.211) 4.154 1.763 ( -0.055 0.647 -6.335) 6.368 1.763 ( -0.055 0.647 6.335) 6.368 1.973 ( -0.665 0.410 -2.631) 2.744 1.973 ( -0.665 0.410 2.631) 2.744 2.114 ( -2.347 -1.401 -2.577) 3.757 2.114 ( -2.347 -1.401 2.577) 3.757 2.241 ( -3.308 -0.204 -0.699) 3.387 2.241 ( -3.308 -0.204 0.699) 3.387 2.315 ( 1.783 0.862 -1.209) 2.321 2.315 ( 1.783 0.862 1.209) 2.321 2.563 ( 0.052 2.986 -0.206) 2.993 2.563 ( 0.052 2.986 0.206) 2.993 2.672 ( -1.336 4.059 -4.352) 6.099 2.672 ( -1.336 4.059 4.352) 6.099 2.855 ( -2.919 5.186 -2.300) 6.380 2.855 ( -2.919 5.186 2.300) 6.380 2.905 ( -1.228 5.793 -2.209) 6.320 2.905 ( -1.228 5.793 2.209) 6.320 9.019 ( -1.919 3.557 -0.462) 4.068 9.019 ( -1.919 3.557 0.462) 4.068 9.207 ( -3.404 -1.881 -1.073) 4.034 9.207 ( -3.404 -1.881 1.073) 4.034 9.449 ( -0.701 -2.217 -0.972) 2.520 9.449 ( -0.701 -2.217 0.972) 2.520 9.544 ( -0.035 -1.556 -1.094) 1.903 9.544 ( -0.035 -1.556 1.094) 1.903 9.613 ( -1.227 -0.329 -0.530) 1.376 9.613 ( -1.227 -0.329 0.530) 1.376 9.640 ( -2.046 -1.157 -0.191) 2.358 9.640 ( -2.046 -1.157 0.191) 2.358 9.772 ( 0.663 -0.885 -0.782) 1.354 9.772 ( 0.663 -0.885 0.782) 1.354 9.851 ( 1.506 -1.323 -1.063) 2.269 9.851 ( 1.506 -1.323 1.063) 2.269 9.910 ( 2.139 1.186 -0.883) 2.600 9.910 ( 2.139 1.186 0.883) 2.600 10.024 ( 0.458 0.062 -2.596) 2.636 10.024 ( 0.458 0.062 2.596) 2.636 27.270 ( 2.603 -0.500 -1.079) 2.862 27.270 ( 2.603 -0.500 1.079) 2.862 27.409 ( 3.851 -2.394 -3.686) 5.844 27.409 ( 3.851 -2.394 3.686) 5.844 27.533 ( 5.275 2.121 -2.346) 6.150 27.533 ( 5.275 2.121 2.346) 6.150 27.762 ( 1.122 3.082 -3.366) 4.700 27.762 ( 1.122 3.082 3.366) 4.700 27.971 ( 0.074 -4.402 -3.545) 5.653 27.971 ( 0.074 -4.402 3.545) 5.653 28.521 ( -9.744 2.532 -1.939) 10.253 28.521 ( -9.744 2.532 1.939) 10.253 29.445 ( -0.086 -0.262 -0.102) 0.294 29.445 ( -0.086 -0.262 0.102) 0.294 29.467 ( 0.001 -0.675 -0.038) 0.676 29.467 ( 0.001 -0.675 0.038) 0.676 ======================= Grid point 204 (64/75) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 5.186 0.942 -7.902) 9.498 0.486 ( 5.186 0.942 7.902) 9.498 0.842 ( 3.438 3.786 -4.479) 6.798 0.842 ( 3.438 3.786 4.479) 6.798 0.984 ( 4.170 1.368 -0.342) 4.402 0.984 ( 4.170 1.368 0.342) 4.402 1.062 ( -5.004 0.449 -4.348) 6.644 1.062 ( -5.004 0.449 4.348) 6.644 1.214 ( 2.173 3.110 -3.482) 5.150 1.214 ( 2.173 3.110 3.482) 5.150 1.275 ( -0.469 3.034 -1.021) 3.236 1.275 ( -0.469 3.034 1.021) 3.236 1.378 ( 2.642 -0.724 -1.918) 3.344 1.378 ( 2.642 -0.724 1.918) 3.344 1.533 ( 5.924 4.374 -3.807) 8.290 1.533 ( 5.924 4.374 3.807) 8.290 1.697 ( -3.718 1.138 -3.177) 5.021 1.697 ( -3.718 1.138 3.177) 5.021 1.783 ( 2.168 -0.316 -1.106) 2.454 1.783 ( 2.168 -0.316 1.106) 2.454 1.965 ( 0.073 -0.079 -1.826) 1.829 1.965 ( 0.073 -0.079 1.826) 1.829 2.065 ( -1.441 -0.812 -2.815) 3.265 2.065 ( -1.441 -0.812 2.815) 3.265 2.191 ( -1.992 -0.577 -1.078) 2.337 2.191 ( -1.992 -0.577 1.078) 2.337 2.333 ( -0.608 1.503 -2.439) 2.929 2.333 ( -0.608 1.503 2.439) 2.929 2.584 ( 1.981 1.570 -1.357) 2.869 2.584 ( 1.981 1.570 1.357) 2.869 2.654 ( -0.335 4.210 -2.775) 5.054 2.654 ( -0.335 4.210 2.775) 5.054 2.797 ( -2.747 3.726 -1.263) 4.798 2.797 ( -2.747 3.726 1.263) 4.798 2.870 ( -2.400 5.730 -1.576) 6.409 2.870 ( -2.400 5.730 1.576) 6.409 8.983 ( -1.608 2.949 -0.031) 3.359 8.983 ( -1.608 2.949 0.031) 3.359 9.146 ( -2.748 -2.390 -0.592) 3.690 9.146 ( -2.748 -2.390 0.592) 3.690 9.436 ( -0.561 -2.150 -0.226) 2.234 9.436 ( -0.561 -2.150 0.226) 2.234 9.539 ( -0.425 -0.611 -0.537) 0.918 9.539 ( -0.425 -0.611 0.537) 0.918 9.587 ( -1.441 -0.279 -0.440) 1.532 9.587 ( -1.441 -0.279 0.440) 1.532 9.608 ( -1.091 -1.526 -0.221) 1.889 9.608 ( -1.091 -1.526 0.221) 1.889 9.783 ( 0.460 -0.654 -0.641) 1.024 9.783 ( 0.460 -0.654 0.641) 1.024 9.874 ( 0.888 -1.541 -0.886) 1.987 9.874 ( 0.888 -1.541 0.886) 1.987 9.960 ( 2.672 1.953 -0.986) 3.453 9.960 ( 2.672 1.953 0.986) 3.453 10.031 ( 0.194 1.147 -3.282) 3.482 10.031 ( 0.194 1.147 3.282) 3.482 27.324 ( 2.951 -0.882 -1.360) 3.367 27.324 ( 2.951 -0.882 1.360) 3.367 27.452 ( 0.687 -1.867 -2.908) 3.523 27.452 ( 0.687 -1.867 2.908) 3.523 27.649 ( 6.250 1.910 -2.419) 6.969 27.649 ( 6.250 1.910 2.419) 6.969 27.795 ( 2.203 3.131 -2.275) 4.454 27.795 ( 2.203 3.131 2.275) 4.454 27.956 ( -1.851 -2.791 -4.680) 5.755 27.956 ( -1.851 -2.791 4.680) 5.755 28.345 ( -7.684 0.950 -2.178) 8.043 28.345 ( -7.684 0.950 2.178) 8.043 29.442 ( -0.203 -0.195 -0.059) 0.288 29.442 ( -0.203 -0.195 0.059) 0.288 29.469 ( 0.114 -0.828 -0.025) 0.837 29.469 ( 0.114 -0.828 0.025) 0.837 ======================= Grid point 206 (65/75) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 4.759 -0.677 -3.818) 6.139 0.596 ( 4.759 -0.677 3.818) 6.139 0.855 ( -2.401 1.187 -2.303) 3.532 0.855 ( -2.401 1.187 2.303) 3.532 0.981 ( -0.519 1.340 -1.925) 2.402 0.981 ( -0.519 1.340 1.925) 2.402 1.046 ( 0.759 5.591 -0.945) 5.720 1.046 ( 0.759 5.591 0.945) 5.720 1.216 ( -0.908 0.295 -1.759) 2.002 1.216 ( -0.908 0.295 1.759) 2.002 1.350 ( 7.139 0.459 -1.243) 7.261 1.350 ( 7.139 0.459 1.243) 7.261 1.412 ( 0.904 -0.464 -0.503) 1.134 1.412 ( 0.904 -0.464 0.503) 1.134 1.512 ( -7.393 -0.730 -0.895) 7.483 1.512 ( -7.393 -0.730 0.895) 7.483 1.712 ( 4.063 4.293 -3.059) 6.655 1.712 ( 4.063 4.293 3.059) 6.655 1.803 ( -0.101 -0.461 -0.869) 0.989 1.803 ( -0.101 -0.461 0.869) 0.989 1.978 ( 1.001 0.278 -0.734) 1.272 1.978 ( 1.001 0.278 0.734) 1.272 2.058 ( -0.135 0.536 -1.116) 1.245 2.058 ( -0.135 0.536 1.116) 1.245 2.156 ( -1.189 -1.756 -0.734) 2.244 2.156 ( -1.189 -1.756 0.734) 2.244 2.307 ( -1.238 1.726 -1.119) 2.401 2.307 ( -1.238 1.726 1.119) 2.401 2.613 ( 0.598 2.618 -1.501) 3.076 2.613 ( 0.598 2.618 1.501) 3.076 2.662 ( 0.703 2.593 -1.022) 2.875 2.662 ( 0.703 2.593 1.022) 2.875 2.771 ( 0.661 3.684 -0.436) 3.769 2.771 ( 0.661 3.684 0.436) 3.769 2.815 ( -3.063 5.096 -1.124) 6.051 2.815 ( -3.063 5.096 1.124) 6.051 8.961 ( -0.614 2.420 -0.059) 2.497 8.961 ( -0.614 2.420 0.059) 2.497 9.107 ( -1.065 -2.579 -0.160) 2.795 9.107 ( -1.065 -2.579 0.160) 2.795 9.428 ( -0.228 -2.008 -0.089) 2.023 9.428 ( -0.228 -2.008 0.089) 2.023 9.532 ( -0.234 0.247 -0.204) 0.397 9.532 ( -0.234 0.247 0.204) 0.397 9.565 ( -0.631 -0.585 -0.170) 0.877 9.565 ( -0.631 -0.585 0.170) 0.877 9.596 ( -0.292 -1.658 -0.189) 1.694 9.596 ( -0.292 -1.658 0.189) 1.694 9.790 ( 0.171 -0.542 -0.233) 0.614 9.790 ( 0.171 -0.542 0.233) 0.614 9.886 ( 0.326 -1.373 -0.305) 1.444 9.886 ( 0.326 -1.373 0.305) 1.444 10.004 ( 1.682 1.884 -2.418) 3.497 10.004 ( 1.682 1.884 2.418) 3.497 10.029 ( -0.507 2.016 -3.304) 3.903 10.029 ( -0.507 2.016 3.304) 3.903 27.379 ( 2.359 -1.072 -1.207) 2.858 27.379 ( 2.359 -1.072 1.207) 2.858 27.443 ( -1.257 -1.621 -1.571) 2.584 27.443 ( -1.257 -1.621 1.571) 2.584 27.769 ( 5.867 1.985 -3.547) 7.138 27.769 ( 5.867 1.985 3.547) 7.138 27.832 ( 0.855 2.610 -0.960) 2.909 27.832 ( 0.855 2.610 0.960) 2.909 27.893 ( -4.202 1.055 -3.497) 5.568 27.893 ( -4.202 1.055 3.497) 5.568 28.243 ( -2.652 -2.527 -1.141) 3.837 28.243 ( -2.652 -2.527 1.141) 3.837 29.438 ( -0.111 -0.127 -0.021) 0.170 29.438 ( -0.111 -0.127 0.021) 0.170 29.471 ( 0.070 -0.922 -0.007) 0.925 29.471 ( 0.070 -0.922 0.007) 0.925 ======================= Grid point 216 (66/75) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.000 3.898 -0.900) 4.000 0.691 ( 0.000 3.898 0.900) 4.000 0.728 ( 0.000 4.258 -3.365) 5.427 0.728 ( 0.000 4.258 3.365) 5.427 0.873 ( 0.000 9.585 -0.062) 9.585 0.873 ( 0.000 9.585 0.062) 9.585 0.993 ( 0.000 -5.452 -0.259) 5.458 0.993 ( 0.000 -5.452 0.259) 5.458 1.245 ( 0.000 -0.447 -2.131) 2.177 1.245 ( 0.000 -0.447 2.131) 2.177 1.314 ( 0.000 -4.470 -0.468) 4.494 1.314 ( 0.000 -4.470 0.468) 4.494 1.419 ( 0.000 5.083 -0.092) 5.084 1.419 ( 0.000 5.083 0.092) 5.084 1.510 ( 0.000 2.512 -4.630) 5.268 1.510 ( 0.000 2.512 4.630) 5.268 1.605 ( 0.000 4.242 -0.705) 4.300 1.605 ( 0.000 4.242 0.705) 4.300 1.736 ( 0.000 -0.666 -3.753) 3.811 1.736 ( 0.000 -0.666 3.753) 3.811 2.004 ( 0.000 4.340 -2.857) 5.196 2.004 ( 0.000 4.340 2.857) 5.196 2.172 ( 0.000 -0.463 -3.062) 3.097 2.172 ( 0.000 -0.463 3.062) 3.097 2.222 ( 0.000 0.005 -0.577) 0.577 2.222 ( 0.000 0.005 0.577) 0.577 2.345 ( 0.000 -4.114 -5.191) 6.623 2.345 ( 0.000 -4.114 5.191) 6.623 2.703 ( 0.000 5.100 -4.728) 6.955 2.703 ( 0.000 5.100 4.728) 6.955 2.764 ( 0.000 1.930 -5.786) 6.099 2.764 ( 0.000 1.930 5.786) 6.099 3.001 ( 0.000 3.416 -1.378) 3.683 3.001 ( 0.000 3.416 1.378) 3.683 3.090 ( 0.000 6.665 -0.360) 6.675 3.090 ( 0.000 6.665 0.360) 6.675 9.113 ( 0.000 1.098 -1.069) 1.532 9.113 ( 0.000 1.098 1.069) 1.532 9.283 ( 0.000 -0.378 -0.156) 0.409 9.283 ( 0.000 -0.378 0.156) 0.409 9.445 ( 0.000 -0.091 -3.382) 3.384 9.445 ( 0.000 -0.091 3.382) 3.384 9.499 ( 0.000 -2.002 -1.249) 2.360 9.499 ( 0.000 -2.002 1.249) 2.360 9.628 ( 0.000 -0.710 -0.543) 0.894 9.628 ( 0.000 -0.710 0.543) 0.894 9.669 ( 0.000 -0.814 -0.175) 0.833 9.669 ( 0.000 -0.814 0.175) 0.833 9.731 ( 0.000 -0.604 -0.475) 0.768 9.731 ( 0.000 -0.604 0.475) 0.768 9.799 ( 0.000 -0.111 -0.628) 0.637 9.799 ( 0.000 -0.111 0.628) 0.637 9.882 ( 0.000 1.038 -1.235) 1.613 9.882 ( 0.000 1.038 1.235) 1.613 9.972 ( 0.000 -2.301 -1.865) 2.962 9.972 ( 0.000 -2.301 1.865) 2.962 27.194 ( 0.000 -0.388 -0.010) 0.389 27.194 ( 0.000 -0.388 0.010) 0.389 27.255 ( 0.000 -0.467 -0.309) 0.560 27.255 ( 0.000 -0.467 0.309) 0.560 27.507 ( 0.000 3.711 -4.298) 5.678 27.507 ( 0.000 3.711 4.298) 5.678 27.725 ( 0.000 -4.018 -2.415) 4.688 27.725 ( 0.000 -4.018 2.415) 4.688 27.930 ( 0.000 1.063 -1.052) 1.496 27.930 ( 0.000 1.063 1.052) 1.496 28.780 ( 0.000 0.287 -0.196) 0.347 28.780 ( 0.000 0.287 0.196) 0.347 29.443 ( 0.000 0.081 -0.133) 0.156 29.443 ( 0.000 0.081 0.133) 0.156 29.459 ( 0.000 -0.519 -0.018) 0.519 29.459 ( 0.000 -0.519 0.018) 0.519 ======================= Grid point 218 (67/75) ======================= q-point: ( 0.11 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -4.515 5.679 -5.911) 9.358 0.646 ( -4.515 5.679 5.911) 9.358 0.747 ( 2.989 4.486 -6.318) 8.305 0.747 ( 2.989 4.486 6.318) 8.305 0.888 ( 1.604 6.876 -2.352) 7.443 0.888 ( 1.604 6.876 2.352) 7.443 1.026 ( 2.532 -5.656 -0.679) 6.234 1.026 ( 2.532 -5.656 0.679) 6.234 1.233 ( -1.004 -0.112 -3.454) 3.598 1.233 ( -1.004 -0.112 3.454) 3.598 1.331 ( 1.511 -2.513 -0.518) 2.978 1.331 ( 1.511 -2.513 0.518) 2.978 1.436 ( 0.931 4.161 -1.249) 4.443 1.436 ( 0.931 4.161 1.249) 4.443 1.508 ( -0.012 5.202 -5.176) 7.338 1.508 ( -0.012 5.202 5.176) 7.338 1.597 ( -0.117 0.602 -1.849) 1.948 1.597 ( -0.117 0.602 1.849) 1.948 1.756 ( 1.639 -0.688 -3.896) 4.282 1.756 ( 1.639 -0.688 3.896) 4.282 2.021 ( 1.027 3.309 -3.297) 4.783 2.021 ( 1.027 3.309 3.297) 4.783 2.134 ( -2.859 -0.536 -3.765) 4.758 2.134 ( -2.859 -0.536 3.765) 4.758 2.248 ( 1.712 0.109 -2.648) 3.155 2.248 ( 1.712 0.109 2.648) 3.155 2.313 ( -2.606 -3.149 -4.559) 6.123 2.313 ( -2.606 -3.149 4.559) 6.123 2.686 ( -1.654 5.163 -4.073) 6.781 2.686 ( -1.654 5.163 4.073) 6.781 2.745 ( -1.601 1.018 -5.466) 5.786 2.745 ( -1.601 1.018 5.466) 5.786 3.007 ( 0.260 3.956 -1.240) 4.154 3.007 ( 0.260 3.956 1.240) 4.154 3.065 ( -2.406 6.280 -0.898) 6.784 3.065 ( -2.406 6.280 0.898) 6.784 9.102 ( -1.143 1.124 -0.931) 1.854 9.102 ( -1.143 1.124 0.931) 1.854 9.253 ( -2.982 -0.347 -0.615) 3.064 9.253 ( -2.982 -0.347 0.615) 3.064 9.438 ( -0.661 -0.067 -2.588) 2.672 9.438 ( -0.661 -0.067 2.588) 2.672 9.498 ( 0.037 -2.206 -1.495) 2.665 9.498 ( 0.037 -2.206 1.495) 2.665 9.621 ( -0.713 -0.599 -0.598) 1.107 9.621 ( -0.713 -0.599 0.598) 1.107 9.655 ( -1.305 -0.860 -0.580) 1.667 9.655 ( -1.305 -0.860 0.580) 1.667 9.745 ( 1.131 -0.216 -0.151) 1.161 9.745 ( 1.131 -0.216 0.151) 1.161 9.804 ( 0.538 -0.731 -0.673) 1.130 9.804 ( 0.538 -0.731 0.673) 1.130 9.897 ( 1.495 1.270 -1.361) 2.388 9.897 ( 1.495 1.270 1.361) 2.388 9.986 ( 1.391 -1.759 -2.003) 3.007 9.986 ( 1.391 -1.759 2.003) 3.007 27.228 ( 2.576 0.419 -0.605) 2.679 27.228 ( 2.576 0.419 0.605) 2.679 27.279 ( 2.963 -1.587 -0.725) 3.439 27.279 ( 2.963 -1.587 0.725) 3.439 27.525 ( 1.815 3.432 -3.700) 5.363 27.525 ( 1.815 3.432 3.700) 5.363 27.738 ( 1.287 -3.687 -2.099) 4.433 27.738 ( 1.287 -3.687 2.099) 4.433 27.927 ( -0.344 0.811 -0.900) 1.259 27.927 ( -0.344 0.811 0.900) 1.259 28.719 ( -6.000 0.750 -0.487) 6.067 28.719 ( -6.000 0.750 0.487) 6.067 29.443 ( -0.030 0.059 -0.136) 0.151 29.443 ( -0.030 0.059 0.136) 0.151 29.457 ( -0.126 -0.516 -0.041) 0.532 29.457 ( -0.126 -0.516 0.041) 0.532 ======================= Grid point 220 (68/75) ======================= q-point: ( 0.22 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -2.381 7.603 -7.797) 11.148 0.570 ( -2.381 7.603 7.797) 11.148 0.828 ( 4.695 3.594 -6.968) 9.138 0.828 ( 4.694 3.594 6.968) 9.138 0.929 ( 2.278 1.978 -4.025) 5.030 0.929 ( 2.278 1.978 4.025) 5.030 1.067 ( 1.195 -4.376 -0.887) 4.622 1.067 ( 1.195 -4.376 0.887) 4.622 1.226 ( 0.887 0.867 -3.384) 3.605 1.226 ( 0.887 0.867 3.384) 3.605 1.352 ( 0.292 0.366 -0.481) 0.671 1.352 ( 0.292 0.366 0.481) 0.671 1.415 ( -3.012 3.555 -2.034) 5.084 1.415 ( -3.012 3.555 2.034) 5.084 1.530 ( 2.085 3.992 -2.858) 5.333 1.530 ( 2.085 3.992 2.858) 5.333 1.622 ( 2.485 -2.698 -2.015) 4.185 1.622 ( 2.485 -2.698 2.015) 4.185 1.787 ( 1.370 -0.880 -2.926) 3.349 1.787 ( 1.370 -0.880 2.926) 3.349 2.018 ( -1.327 2.889 -0.778) 3.273 2.018 ( -1.327 2.889 0.778) 3.273 2.083 ( -2.003 -0.736 -1.899) 2.856 2.083 ( -2.003 -0.736 1.899) 2.856 2.230 ( -3.020 -0.512 -1.603) 3.457 2.230 ( -3.020 -0.512 1.603) 3.457 2.315 ( 2.222 -0.982 -0.355) 2.455 2.315 ( 2.222 -0.982 0.355) 2.455 2.649 ( -1.610 4.255 -1.885) 4.925 2.649 ( -1.610 4.255 1.885) 4.925 2.715 ( -1.218 0.647 -3.699) 3.948 2.715 ( -1.218 0.647 3.699) 3.948 2.985 ( -3.386 5.830 -1.922) 7.011 2.985 ( -3.386 5.830 1.922) 7.011 3.016 ( -1.749 4.192 -1.977) 4.954 3.016 ( -1.749 4.192 1.977) 4.954 9.071 ( -1.972 1.249 -0.607) 2.412 9.071 ( -1.972 1.249 0.607) 2.412 9.179 ( -4.227 -0.727 -0.928) 4.388 9.179 ( -4.227 -0.727 0.928) 4.388 9.425 ( -0.610 0.040 -1.169) 1.319 9.425 ( -0.610 0.040 1.169) 1.319 9.501 ( 0.232 -2.420 -1.495) 2.854 9.501 ( 0.232 -2.420 1.495) 2.854 9.602 ( -1.188 -0.617 -0.133) 1.346 9.602 ( -1.188 -0.617 0.133) 1.346 9.622 ( -1.927 -0.548 -0.522) 2.070 9.622 ( -1.927 -0.548 0.522) 2.070 9.767 ( 1.041 0.323 -0.103) 1.095 9.767 ( 1.041 0.323 0.103) 1.095 9.821 ( 1.101 -1.390 -0.897) 1.987 9.821 ( 1.101 -1.390 0.897) 1.987 9.938 ( 2.681 1.252 -1.110) 3.160 9.938 ( 2.681 1.252 1.110) 3.160 10.019 ( 1.840 -0.474 -2.215) 2.918 10.019 ( 1.840 -0.474 2.215) 2.918 27.271 ( 2.175 0.521 -0.867) 2.398 27.272 ( 2.175 0.521 0.867) 2.398 27.363 ( 4.586 -1.861 -2.342) 5.475 27.363 ( 4.586 -1.861 2.342) 5.475 27.580 ( 3.929 2.504 -2.500) 5.288 27.580 ( 3.929 2.504 2.500) 5.288 27.772 ( 2.074 -2.915 -1.242) 3.788 27.772 ( 2.074 -2.915 1.242) 3.788 27.921 ( -0.127 0.387 -1.225) 1.291 27.921 ( -0.127 0.387 1.225) 1.291 28.564 ( -9.450 1.453 -0.880) 9.602 28.564 ( -9.450 1.453 0.880) 9.602 29.442 ( -0.083 0.020 -0.123) 0.150 29.442 ( -0.083 0.020 0.123) 0.150 29.455 ( -0.113 -0.537 -0.043) 0.550 29.455 ( -0.113 -0.537 0.043) 0.550 ======================= Grid point 222 (69/75) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 2.048 6.015 -6.681) 9.220 0.568 ( 2.048 6.015 6.681) 9.220 0.894 ( 0.431 0.804 -4.109) 4.209 0.894 ( 0.431 0.804 4.109) 4.209 0.965 ( 1.973 -1.447 -2.009) 3.166 0.965 ( 1.973 -1.447 2.009) 3.166 1.080 ( 1.097 0.232 -0.895) 1.434 1.080 ( 1.097 0.232 0.895) 1.434 1.256 ( 0.813 1.727 -1.384) 2.358 1.256 ( 0.813 1.727 1.384) 2.358 1.334 ( -2.027 2.805 -0.727) 3.536 1.334 ( -2.027 2.805 0.727) 3.536 1.376 ( 0.367 -0.310 -2.481) 2.527 1.376 ( 0.367 -0.310 2.481) 2.527 1.535 ( -2.694 -5.051 -2.595) 6.286 1.535 ( -2.694 -5.051 2.595) 6.286 1.687 ( 4.425 2.024 -1.610) 5.125 1.687 ( 4.425 2.024 1.610) 5.125 1.811 ( 1.214 0.457 -0.863) 1.558 1.811 ( 1.214 0.457 0.863) 1.558 1.997 ( -0.135 2.525 -1.680) 3.036 1.997 ( -0.135 2.525 1.680) 3.036 2.063 ( -0.107 0.020 -1.574) 1.577 2.063 ( -0.107 0.020 1.574) 1.577 2.176 ( -2.379 -0.162 -1.261) 2.697 2.176 ( -2.379 -0.162 1.261) 2.697 2.335 ( -0.693 -1.248 -0.983) 1.733 2.335 ( -0.693 -1.248 0.983) 1.733 2.639 ( 0.708 3.033 -0.629) 3.178 2.639 ( 0.708 3.033 0.629) 3.178 2.708 ( 0.619 1.268 -1.474) 2.040 2.708 ( 0.619 1.268 1.474) 2.040 2.905 ( -4.040 5.283 -0.638) 6.681 2.905 ( -4.040 5.283 0.638) 6.681 2.976 ( -2.698 3.959 -1.007) 4.895 2.976 ( -2.698 3.959 1.007) 4.895 9.031 ( -1.973 1.406 -0.277) 2.439 9.031 ( -1.973 1.406 0.277) 2.439 9.103 ( -3.271 -1.481 -0.662) 3.651 9.103 ( -3.271 -1.481 0.662) 3.651 9.415 ( -0.382 0.296 -0.442) 0.655 9.415 ( -0.382 0.296 0.442) 0.655 9.506 ( 0.314 -2.559 -1.320) 2.896 9.506 ( 0.314 -2.559 1.320) 2.896 9.574 ( -1.654 -0.401 -0.935) 1.942 9.574 ( -1.654 -0.401 0.935) 1.942 9.590 ( -1.178 -0.461 -0.275) 1.295 9.590 ( -1.178 -0.461 0.275) 1.295 9.784 ( 0.721 0.683 -0.126) 1.001 9.784 ( 0.721 0.683 0.126) 1.001 9.842 ( 0.968 -1.543 -0.773) 1.979 9.842 ( 0.968 -1.543 0.773) 1.979 9.994 ( 2.821 1.210 -0.378) 3.093 9.994 ( 2.821 1.210 0.378) 3.093 10.051 ( 1.220 0.619 -2.365) 2.733 10.051 ( 1.220 0.619 2.365) 2.733 27.318 ( 2.642 0.130 -1.088) 2.860 27.318 ( 2.642 0.130 1.088) 2.860 27.424 ( 1.346 -0.951 -2.004) 2.595 27.424 ( 1.346 -0.951 2.004) 2.595 27.674 ( 5.372 1.050 -1.939) 5.807 27.674 ( 5.372 1.050 1.939) 5.807 27.810 ( 1.593 -2.585 -0.550) 3.086 27.810 ( 1.593 -2.585 0.550) 3.086 27.930 ( 1.423 1.201 -2.420) 3.053 27.930 ( 1.423 1.201 2.420) 3.053 28.372 ( -9.816 1.244 -1.116) 9.957 28.372 ( -9.816 1.244 1.116) 9.957 29.440 ( -0.133 0.034 -0.084) 0.161 29.440 ( -0.133 0.034 0.084) 0.161 29.453 ( -0.016 -0.614 -0.025) 0.615 29.453 ( -0.016 -0.614 0.025) 0.615 ======================= Grid point 224 (70/75) ======================= q-point: ( 0.44 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 3.170 3.869 -3.641) 6.187 0.629 ( 3.170 3.869 3.641) 6.187 0.840 ( -3.635 -1.814 -2.545) 4.794 0.840 ( -3.635 -1.814 2.545) 4.794 1.018 ( 2.432 1.229 -2.148) 3.470 1.018 ( 2.432 1.229 2.148) 3.470 1.106 ( 0.715 -0.472 -1.397) 1.639 1.106 ( 0.715 -0.472 1.397) 1.639 1.242 ( -1.012 3.321 -0.598) 3.523 1.242 ( -1.012 3.321 0.598) 3.523 1.321 ( 0.409 -1.713 -0.373) 1.801 1.321 ( 0.409 -1.713 0.373) 1.801 1.399 ( 1.367 -1.193 -1.424) 2.306 1.399 ( 1.367 -1.193 1.424) 2.306 1.453 ( -4.178 -4.104 -0.361) 5.867 1.453 ( -4.178 -4.104 0.361) 5.867 1.776 ( 3.960 1.988 -1.585) 4.706 1.776 ( 3.960 1.988 1.585) 4.706 1.822 ( -0.586 1.399 -0.488) 1.593 1.822 ( -0.586 1.399 0.488) 1.593 2.009 ( 0.839 1.891 -0.799) 2.218 2.009 ( 0.839 1.891 0.799) 2.218 2.070 ( 0.414 -0.557 -0.360) 0.782 2.070 ( 0.414 -0.557 0.360) 0.782 2.143 ( -0.839 1.679 -0.153) 1.883 2.143 ( -0.839 1.679 0.153) 1.883 2.300 ( -1.915 -2.239 -0.594) 3.006 2.300 ( -1.915 -2.239 0.594) 3.006 2.671 ( 2.189 2.585 -1.036) 3.542 2.671 ( 2.189 2.585 1.036) 3.542 2.716 ( -0.838 1.962 -0.678) 2.239 2.716 ( -0.838 1.962 0.678) 2.239 2.863 ( 0.609 4.334 -0.538) 4.409 2.863 ( 0.609 4.334 0.538) 4.409 2.913 ( -3.523 3.874 -0.801) 5.297 2.913 ( -3.523 3.874 0.801) 5.297 9.002 ( -0.839 1.404 -0.064) 1.637 9.002 ( -0.839 1.404 0.064) 1.637 9.059 ( -1.196 -1.931 -0.208) 2.281 9.059 ( -1.196 -1.931 0.208) 2.281 9.410 ( -0.128 0.494 -0.127) 0.526 9.410 ( -0.128 0.494 0.127) 0.526 9.513 ( 0.320 -2.991 -0.780) 3.108 9.513 ( 0.320 -2.991 0.780) 3.108 9.547 ( -0.912 0.371 -0.684) 1.199 9.547 ( -0.912 0.371 0.684) 1.199 9.575 ( -0.390 -0.681 -0.154) 0.800 9.575 ( -0.390 -0.681 0.154) 0.800 9.794 ( 0.265 0.886 -0.051) 0.926 9.794 ( 0.265 0.886 0.051) 0.926 9.855 ( 0.382 -1.569 -0.296) 1.642 9.855 ( 0.382 -1.569 0.296) 1.642 10.038 ( 1.526 1.370 -1.120) 2.337 10.038 ( 1.526 1.370 1.120) 2.337 10.063 ( 0.064 1.077 -1.867) 2.157 10.063 ( 0.064 1.077 1.867) 2.157 27.370 ( 2.459 0.050 -1.032) 2.667 27.370 ( 2.459 0.050 1.032) 2.667 27.421 ( -1.271 -0.596 -1.201) 1.848 27.421 ( -1.271 -0.596 1.201) 1.848 27.768 ( 3.857 -0.668 -2.147) 4.465 27.768 ( 3.857 -0.668 2.147) 4.465 27.818 ( -1.032 -2.254 -2.056) 3.221 27.818 ( -1.032 -2.254 2.056) 3.221 27.982 ( 3.237 4.671 -1.971) 6.015 27.982 ( 3.237 4.671 1.971) 6.015 28.206 ( -6.289 -1.110 -1.068) 6.475 28.206 ( -6.289 -1.110 1.068) 6.475 29.438 ( -0.069 0.084 -0.030) 0.113 29.438 ( -0.069 0.084 0.030) 0.113 29.453 ( 0.014 -0.696 -0.008) 0.696 29.453 ( 0.014 -0.696 0.008) 0.696 ======================= Grid point 234 (71/75) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.000 0.000 -0.000) 0.000 0.732 ( 0.000 0.000 0.000) 0.000 0.846 ( 0.000 -0.000 -0.000) 0.000 0.846 ( 0.000 -0.000 0.000) 0.000 0.862 ( 0.000 0.000 -0.000) 0.000 0.862 ( 0.000 0.000 0.000) 0.000 1.017 ( 0.000 0.000 -0.000) 0.000 1.017 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 -0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 0.000 -0.000) 0.000 1.483 ( 0.000 0.000 -0.000) 0.000 1.507 ( 0.000 -0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 -0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 -0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 -0.000 -0.000) 0.000 2.078 ( 0.000 -0.000 0.000) 0.000 2.140 ( 0.000 0.000 -0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 -0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 -0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 -0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 -0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 -0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 9.122 ( 0.000 0.000 -0.000) 0.000 9.122 ( 0.000 0.000 0.000) 0.000 9.279 ( 0.000 0.000 -0.000) 0.000 9.279 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 -0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 -0.000) 0.000 9.467 ( 0.000 -0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.724 ( 0.000 0.000 -0.000) 0.000 9.724 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 -0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 -0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 9.927 ( 0.000 0.000 -0.000) 0.000 9.927 ( 0.000 0.000 0.000) 0.000 27.190 ( 0.000 0.000 -0.000) 0.000 27.190 ( 0.000 0.000 0.000) 0.000 27.250 ( 0.000 0.000 -0.000) 0.000 27.250 ( 0.000 0.000 0.000) 0.000 27.572 ( 0.000 0.000 -0.000) 0.000 27.572 ( 0.000 0.000 0.000) 0.000 27.650 ( 0.000 -0.000 -0.000) 0.000 27.650 ( 0.000 -0.000 0.000) 0.000 27.949 ( 0.000 0.000 -0.000) 0.000 27.949 ( 0.000 0.000 0.000) 0.000 28.783 ( 0.000 0.000 -0.000) 0.000 28.783 ( 0.000 0.000 0.000) 0.000 29.447 ( 0.000 -0.000 0.000) 0.000 29.447 ( 0.000 0.000 -0.000) 0.000 29.450 ( 0.000 -0.000 0.000) 0.000 29.450 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 238 (72/75) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -2.090 0.000 -0.000) 2.090 0.705 ( -2.090 0.000 0.000) 2.090 0.872 ( 0.990 -0.000 -0.000) 0.990 0.872 ( 0.990 -0.000 0.000) 0.990 0.882 ( 3.040 0.000 -0.000) 3.040 0.882 ( 3.040 0.000 0.000) 3.040 0.998 ( -1.241 0.000 -0.000) 1.241 0.998 ( -1.241 0.000 0.000) 1.241 1.235 ( 0.840 -0.000 0.000) 0.840 1.235 ( 0.840 0.000 0.000) 0.840 1.267 ( 2.462 0.000 0.000) 2.462 1.267 ( 2.462 0.000 0.000) 2.462 1.476 ( -0.705 0.000 -0.000) 0.705 1.476 ( -0.705 0.000 0.000) 0.705 1.541 ( 3.382 0.000 0.000) 3.382 1.541 ( 3.382 0.000 0.000) 3.382 1.650 ( -3.270 0.000 -0.000) 3.270 1.650 ( -3.270 0.000 0.000) 3.270 1.736 ( 0.940 0.000 -0.000) 0.940 1.736 ( 0.940 0.000 0.000) 0.940 2.070 ( -0.707 0.000 -0.000) 0.707 2.070 ( -0.707 0.000 0.000) 0.707 2.120 ( -1.878 0.000 -0.000) 1.878 2.120 ( -1.878 0.000 0.000) 1.878 2.245 ( 2.449 0.000 -0.000) 2.449 2.245 ( 2.449 0.000 0.000) 2.449 2.277 ( -2.210 0.000 -0.000) 2.210 2.277 ( -2.210 0.000 0.000) 2.210 2.732 ( -0.801 0.000 -0.000) 0.801 2.732 ( -0.801 0.000 0.000) 0.801 2.766 ( -3.207 0.000 -0.000) 3.207 2.766 ( -3.207 0.000 0.000) 3.207 3.050 ( 0.795 0.000 -0.000) 0.795 3.050 ( 0.795 0.000 0.000) 0.795 3.136 ( -2.832 0.000 -0.000) 2.832 3.136 ( -2.832 0.000 0.000) 2.832 9.110 ( -1.148 0.000 -0.000) 1.148 9.110 ( -1.148 0.000 0.000) 1.148 9.250 ( -2.943 0.000 0.000) 2.943 9.250 ( -2.943 0.000 0.000) 2.943 9.455 ( -0.880 0.000 -0.000) 0.880 9.455 ( -0.880 0.000 0.000) 0.880 9.457 ( 0.098 -0.000 -0.000) 0.098 9.457 ( 0.098 -0.000 0.000) 0.098 9.614 ( -0.669 0.000 0.000) 0.669 9.614 ( -0.669 0.000 0.000) 0.669 9.646 ( -1.231 0.000 -0.000) 1.231 9.646 ( -1.231 0.000 0.000) 1.231 9.743 ( 1.611 0.000 -0.000) 1.611 9.743 ( 1.611 0.000 0.000) 1.611 9.796 ( -0.089 0.000 -0.000) 0.089 9.796 ( -0.089 0.000 0.000) 0.089 9.921 ( 0.935 0.000 -0.000) 0.935 9.921 ( 0.935 0.000 0.000) 0.935 9.957 ( 2.611 0.000 -0.000) 2.611 9.957 ( 2.611 0.000 0.000) 2.611 27.237 ( 4.503 0.000 -0.000) 4.503 27.237 ( 4.503 0.000 0.000) 4.503 27.257 ( 0.799 0.000 0.000) 0.799 27.257 ( 0.799 0.000 0.000) 0.799 27.583 ( 1.240 0.000 -0.000) 1.240 27.583 ( 1.240 0.000 0.000) 1.240 27.668 ( 1.803 -0.000 -0.000) 1.803 27.668 ( 1.803 -0.000 0.000) 1.803 27.943 ( -0.520 0.000 -0.000) 0.520 27.943 ( -0.520 0.000 0.000) 0.520 28.727 ( -5.575 0.000 -0.000) 5.575 28.727 ( -5.575 0.000 0.000) 5.575 29.447 ( -0.051 -0.000 0.000) 0.051 29.447 ( -0.051 0.000 -0.000) 0.051 29.448 ( -0.124 -0.000 0.000) 0.124 29.448 ( -0.124 0.000 0.000) 0.124 ======================= Grid point 242 (73/75) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -1.502 0.000 -0.000) 1.502 0.667 ( -1.502 0.000 0.000) 1.502 0.887 ( 0.014 -0.000 -0.000) 0.014 0.887 ( 0.014 0.000 0.000) 0.014 0.945 ( 3.097 0.000 -0.000) 3.097 0.945 ( 3.097 0.000 0.000) 3.097 0.998 ( 1.712 0.000 -0.000) 1.712 0.998 ( 1.712 0.000 0.000) 1.712 1.266 ( 2.344 0.000 -0.000) 2.344 1.266 ( 2.344 0.000 0.000) 2.344 1.308 ( 1.435 0.000 -0.000) 1.435 1.308 ( 1.435 0.000 0.000) 1.435 1.451 ( -2.114 0.000 -0.000) 2.114 1.451 ( -2.114 0.000 0.000) 2.114 1.559 ( -5.397 0.000 -0.000) 5.397 1.559 ( -5.397 0.000 0.000) 5.397 1.630 ( 4.919 0.000 -0.000) 4.919 1.630 ( 4.919 0.000 0.000) 4.919 1.761 ( 1.738 0.000 -0.000) 1.738 1.761 ( 1.738 0.000 0.000) 1.738 2.055 ( -0.686 0.000 -0.000) 0.686 2.055 ( -0.686 0.000 0.000) 0.686 2.076 ( -2.329 -0.000 -0.000) 2.329 2.076 ( -2.329 0.000 0.000) 2.329 2.225 ( -2.753 0.000 -0.000) 2.753 2.225 ( -2.753 0.000 0.000) 2.753 2.298 ( 2.430 0.000 -0.000) 2.430 2.298 ( 2.430 0.000 0.000) 2.430 2.704 ( -2.677 0.000 -0.000) 2.677 2.704 ( -2.677 0.000 0.000) 2.677 2.715 ( -0.639 -0.000 -0.000) 0.639 2.715 ( -0.639 0.000 0.000) 0.639 3.053 ( -0.723 0.000 -0.000) 0.723 3.053 ( -0.723 0.000 0.000) 0.723 3.061 ( -4.688 0.000 -0.000) 4.688 3.061 ( -4.688 0.000 0.000) 4.688 9.080 ( -1.880 0.000 -0.000) 1.880 9.080 ( -1.880 0.000 0.000) 1.880 9.173 ( -4.571 0.000 -0.000) 4.571 9.173 ( -4.571 0.000 0.000) 4.571 9.442 ( -0.360 0.000 -0.000) 0.360 9.442 ( -0.360 0.000 0.000) 0.360 9.458 ( -0.043 -0.000 -0.000) 0.043 9.458 ( -0.043 -0.000 0.000) 0.043 9.594 ( -1.224 0.000 -0.000) 1.224 9.594 ( -1.224 0.000 0.000) 1.224 9.617 ( -1.662 0.000 -0.000) 1.662 9.617 ( -1.662 0.000 0.000) 1.662 9.776 ( 1.590 0.000 -0.000) 1.590 9.776 ( 1.590 0.000 0.000) 1.590 9.801 ( 0.607 0.000 0.000) 0.607 9.801 ( 0.607 0.000 0.000) 0.607 9.954 ( 2.394 0.000 -0.000) 2.394 9.954 ( 2.394 0.000 0.000) 2.394 10.012 ( 2.787 0.000 -0.000) 2.787 10.012 ( 2.787 0.000 0.000) 2.787 27.281 ( 1.663 0.000 -0.000) 1.663 27.281 ( 1.663 0.000 0.000) 1.663 27.340 ( 5.262 0.000 -0.000) 5.262 27.340 ( 5.262 0.000 0.000) 5.262 27.623 ( 2.937 0.000 -0.000) 2.937 27.623 ( 2.937 0.000 0.000) 2.937 27.713 ( 2.627 -0.000 -0.000) 2.627 27.713 ( 2.627 -0.000 0.000) 2.627 27.935 ( -0.131 0.000 -0.000) 0.131 27.935 ( -0.131 0.000 0.000) 0.131 28.579 ( -9.187 0.000 -0.000) 9.187 28.579 ( -9.187 0.000 0.000) 9.187 29.445 ( -0.089 0.000 -0.000) 0.089 29.445 ( -0.089 0.000 -0.000) 0.089 29.446 ( -0.144 -0.000 0.000) 0.144 29.446 ( -0.144 -0.000 -0.000) 0.144 ======================= Grid point 246 (74/75) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.995 0.000 -0.000) 0.995 0.659 ( 0.995 0.000 0.000) 0.995 0.862 ( -2.626 0.000 -0.000) 2.626 0.862 ( -2.626 0.000 0.000) 2.626 0.993 ( 1.902 0.000 -0.000) 1.902 0.993 ( 1.902 -0.000 0.000) 1.902 1.053 ( 3.153 0.000 -0.000) 3.153 1.053 ( 3.153 0.000 0.000) 3.153 1.318 ( 2.450 0.000 -0.000) 2.450 1.318 ( 2.450 0.000 0.000) 2.450 1.325 ( 0.336 -0.000 -0.000) 0.336 1.325 ( 0.336 -0.000 0.000) 0.336 1.387 ( -3.927 0.000 -0.000) 3.927 1.387 ( -3.927 0.000 0.000) 3.927 1.450 ( -5.165 0.000 -0.000) 5.165 1.450 ( -5.165 0.000 0.000) 5.165 1.725 ( 4.503 0.000 -0.000) 4.503 1.725 ( 4.503 -0.000 0.000) 4.503 1.806 ( 2.636 0.000 -0.000) 2.636 1.806 ( 2.636 0.000 0.000) 2.636 2.043 ( -0.806 0.000 -0.000) 0.806 2.043 ( -0.806 0.000 0.000) 0.806 2.046 ( -0.240 -0.000 -0.000) 0.240 2.046 ( -0.240 -0.000 0.000) 0.240 2.182 ( -1.363 0.000 -0.000) 1.363 2.182 ( -1.363 0.000 0.000) 1.363 2.313 ( -1.291 0.000 -0.000) 1.291 2.313 ( -1.291 0.000 0.000) 1.291 2.677 ( 0.031 0.000 -0.000) 0.031 2.677 ( 0.031 0.000 0.000) 0.031 2.719 ( 1.159 0.000 -0.000) 1.159 2.719 ( 1.159 0.000 0.000) 1.159 2.967 ( -4.540 0.000 -0.000) 4.540 2.967 ( -4.540 0.000 0.000) 4.540 3.020 ( -2.660 0.000 -0.000) 2.660 3.020 ( -2.660 0.000 0.000) 2.660 9.043 ( -1.738 0.000 -0.000) 1.738 9.043 ( -1.738 0.000 0.000) 1.738 9.088 ( -3.835 0.000 0.000) 3.835 9.088 ( -3.835 0.000 0.000) 3.835 9.440 ( 0.097 0.000 -0.000) 0.097 9.440 ( 0.097 0.000 0.000) 0.097 9.455 ( -0.219 -0.000 -0.000) 0.219 9.455 ( -0.219 -0.000 0.000) 0.219 9.571 ( -1.041 0.000 -0.000) 1.041 9.571 ( -1.041 0.000 0.000) 1.041 9.585 ( -1.506 0.000 -0.000) 1.506 9.585 ( -1.506 0.000 0.000) 1.506 9.803 ( 1.144 0.000 -0.000) 1.144 9.803 ( 1.144 0.000 0.000) 1.144 9.815 ( 0.668 0.000 0.000) 0.668 9.815 ( 0.668 0.000 0.000) 0.668 10.007 ( 2.858 0.000 -0.000) 2.858 10.007 ( 2.858 0.000 0.000) 2.858 10.057 ( 1.686 0.000 -0.000) 1.686 10.057 ( 1.686 0.000 0.000) 1.686 27.322 ( 2.460 0.000 -0.000) 2.460 27.322 ( 2.460 0.000 0.000) 2.460 27.413 ( 1.872 0.000 0.000) 1.872 27.413 ( 1.872 0.000 0.000) 1.872 27.696 ( 4.212 0.000 -0.000) 4.212 27.696 ( 4.212 0.000 0.000) 4.212 27.761 ( 2.019 -0.000 -0.000) 2.019 27.761 ( 2.019 -0.000 0.000) 2.019 27.952 ( 2.290 0.000 -0.000) 2.290 27.952 ( 2.290 0.000 0.000) 2.290 28.387 ( -10.291 0.000 -0.000) 10.291 28.387 ( -10.291 0.000 0.000) 10.291 29.443 ( -0.093 0.000 0.000) 0.093 29.443 ( -0.093 0.000 -0.000) 0.093 29.444 ( -0.085 -0.000 0.000) 0.085 29.444 ( -0.085 -0.000 0.000) 0.085 ======================= Grid point 250 (75/75) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 3.829 -0.000 -0.000) 3.829 0.709 ( 3.829 0.000 0.000) 3.829 0.792 ( -4.289 0.000 -0.000) 4.289 0.792 ( -4.289 0.000 0.000) 4.289 1.033 ( 2.587 0.000 -0.000) 2.587 1.033 ( 2.587 0.000 0.000) 2.587 1.081 ( -1.111 0.000 0.000) 1.111 1.081 ( -1.111 0.000 0.000) 1.111 1.300 ( -0.911 0.000 -0.000) 0.911 1.300 ( -0.911 0.000 0.000) 0.911 1.324 ( -2.075 0.000 -0.000) 2.075 1.324 ( -2.075 0.000 0.000) 2.075 1.367 ( 1.109 -0.000 -0.000) 1.109 1.367 ( 1.109 -0.000 0.000) 1.109 1.388 ( -1.142 0.000 -0.000) 1.142 1.388 ( -1.142 0.000 0.000) 1.142 1.799 ( 3.139 0.000 -0.000) 3.139 1.799 ( 3.139 -0.000 0.000) 3.139 1.837 ( -0.189 0.000 -0.000) 0.189 1.837 ( -0.189 0.000 0.000) 0.189 2.043 ( 0.434 0.000 -0.000) 0.434 2.043 ( 0.434 -0.000 0.000) 0.434 2.046 ( 0.149 -0.000 -0.000) 0.149 2.046 ( 0.149 0.000 0.000) 0.149 2.186 ( 2.065 0.000 -0.000) 2.065 2.186 ( 2.065 0.000 0.000) 2.065 2.254 ( -4.141 0.000 -0.000) 4.141 2.254 ( -4.141 0.000 0.000) 4.141 2.701 ( 2.161 0.000 -0.000) 2.161 2.701 ( 2.161 0.000 0.000) 2.161 2.736 ( -0.508 0.000 -0.000) 0.508 2.736 ( -0.508 0.000 0.000) 0.508 2.914 ( -0.018 0.000 -0.000) 0.018 2.914 ( -0.018 0.000 0.000) 0.018 2.957 ( -3.422 0.000 -0.000) 3.422 2.957 ( -3.422 0.000 0.000) 3.422 9.020 ( -0.414 -0.000 -0.000) 0.414 9.020 ( -0.414 -0.000 0.000) 0.414 9.033 ( -1.759 0.000 0.000) 1.759 9.033 ( -1.759 0.000 0.000) 1.759 9.444 ( 0.281 0.000 0.000) 0.281 9.444 ( 0.281 0.000 -0.000) 0.281 9.450 ( -0.297 -0.000 -0.000) 0.297 9.450 ( -0.297 -0.000 0.000) 0.297 9.558 ( -0.259 0.000 -0.000) 0.259 9.558 ( -0.259 0.000 0.000) 0.259 9.563 ( -0.737 -0.000 -0.000) 0.737 9.563 ( -0.737 -0.000 0.000) 0.737 9.819 ( 0.554 -0.000 -0.000) 0.554 9.819 ( 0.554 -0.000 0.000) 0.554 9.823 ( 0.144 0.000 -0.000) 0.144 9.823 ( 0.144 0.000 0.000) 0.144 10.055 ( 1.829 0.000 -0.000) 1.829 10.055 ( 1.829 0.000 0.000) 1.829 10.073 ( -0.047 0.000 -0.000) 0.047 10.073 ( -0.047 0.000 0.000) 0.047 27.373 ( 2.642 0.000 -0.000) 2.642 27.373 ( 2.642 0.000 0.000) 2.642 27.415 ( -1.379 0.000 -0.000) 1.379 27.415 ( -1.379 0.000 0.000) 1.379 27.764 ( 2.359 0.000 0.000) 2.359 27.764 ( 2.359 0.000 0.000) 2.359 27.784 ( 0.202 0.000 -0.000) 0.202 27.784 ( 0.202 0.000 0.000) 0.202 28.036 ( 6.473 0.000 -0.000) 6.473 28.036 ( 6.473 0.000 0.000) 6.473 28.193 ( -9.334 0.000 -0.000) 9.334 28.193 ( -9.334 0.000 0.000) 9.334 29.442 ( -0.024 0.000 0.000) 0.024 29.442 ( -0.024 0.000 -0.000) 0.024 29.442 ( -0.039 -0.000 0.000) 0.039 29.442 ( -0.039 -0.000 0.000) 0.039 =================== 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 3/20736 10.0 0.582 0.731 0.843 0.000 0.000 0.000 3/20736 20.0 0.295 0.396 0.363 0.000 0.000 0.000 3/20736 30.0 0.204 0.277 0.235 0.000 0.000 0.000 3/20736 40.0 0.158 0.216 0.176 0.000 0.000 0.000 3/20736 50.0 0.129 0.178 0.141 0.000 0.000 0.000 3/20736 60.0 0.111 0.154 0.119 0.000 0.000 0.000 3/20736 70.0 0.099 0.138 0.104 0.000 0.000 0.000 3/20736 80.0 0.090 0.126 0.093 0.000 0.000 0.000 3/20736 90.0 0.085 0.118 0.085 0.000 0.000 0.000 3/20736 100.0 0.080 0.111 0.078 0.000 0.000 0.000 3/20736 110.0 0.076 0.106 0.073 0.000 0.000 0.000 3/20736 120.0 0.073 0.101 0.069 0.000 0.000 0.000 3/20736 130.0 0.071 0.097 0.065 0.000 0.000 0.000 3/20736 140.0 0.069 0.093 0.062 0.000 0.000 0.000 3/20736 150.0 0.067 0.090 0.060 0.000 0.000 0.000 3/20736 160.0 0.065 0.087 0.057 0.000 0.000 0.000 3/20736 170.0 0.064 0.084 0.055 0.000 0.000 0.000 3/20736 180.0 0.063 0.082 0.053 0.000 0.000 0.000 3/20736 190.0 0.062 0.079 0.051 0.000 0.000 0.000 3/20736 200.0 0.062 0.077 0.050 0.000 0.000 0.000 3/20736 210.0 0.062 0.075 0.048 0.000 0.000 0.000 3/20736 220.0 0.061 0.074 0.047 0.000 0.000 0.000 3/20736 230.0 0.061 0.072 0.046 0.000 0.000 0.000 3/20736 240.0 0.061 0.071 0.045 0.000 0.000 0.000 3/20736 250.0 0.061 0.069 0.044 0.000 0.000 0.000 3/20736 260.0 0.062 0.068 0.043 0.000 0.000 0.000 3/20736 270.0 0.062 0.067 0.042 0.000 0.000 0.000 3/20736 280.0 0.062 0.066 0.041 0.000 0.000 0.000 3/20736 290.0 0.062 0.064 0.041 0.000 0.000 0.000 3/20736 300.0 0.062 0.063 0.040 0.000 0.000 0.000 3/20736 310.0 0.062 0.062 0.039 0.000 0.000 0.000 3/20736 320.0 0.063 0.062 0.039 0.000 0.000 0.000 3/20736 330.0 0.063 0.061 0.038 0.000 0.000 0.000 3/20736 340.0 0.063 0.060 0.037 0.000 0.000 0.000 3/20736 350.0 0.063 0.059 0.037 0.000 0.000 0.000 3/20736 360.0 0.063 0.058 0.036 0.000 0.000 0.000 3/20736 370.0 0.063 0.057 0.036 0.000 0.000 0.000 3/20736 380.0 0.063 0.057 0.035 0.000 0.000 0.000 3/20736 390.0 0.063 0.056 0.035 0.000 0.000 0.000 3/20736 400.0 0.063 0.055 0.034 0.000 0.000 0.000 3/20736 410.0 0.063 0.054 0.034 0.000 0.000 0.000 3/20736 420.0 0.062 0.054 0.034 0.000 0.000 0.000 3/20736 430.0 0.062 0.053 0.033 0.000 0.000 0.000 3/20736 440.0 0.062 0.052 0.033 0.000 0.000 0.000 3/20736 450.0 0.062 0.052 0.032 0.000 0.000 0.000 3/20736 460.0 0.062 0.051 0.032 0.000 0.000 0.000 3/20736 470.0 0.061 0.051 0.031 0.000 0.000 0.000 3/20736 480.0 0.061 0.050 0.031 0.000 0.000 0.000 3/20736 490.0 0.061 0.049 0.031 0.000 0.000 0.000 3/20736 500.0 0.060 0.049 0.030 0.000 0.000 0.000 3/20736 510.0 0.060 0.048 0.030 0.000 0.000 0.000 3/20736 520.0 0.060 0.048 0.030 0.000 0.000 0.000 3/20736 530.0 0.059 0.047 0.029 0.000 0.000 0.000 3/20736 540.0 0.059 0.047 0.029 0.000 0.000 0.000 3/20736 550.0 0.059 0.046 0.029 0.000 0.000 0.000 3/20736 560.0 0.058 0.045 0.028 0.000 0.000 0.000 3/20736 570.0 0.058 0.045 0.028 0.000 0.000 0.000 3/20736 580.0 0.058 0.044 0.028 0.000 0.000 0.000 3/20736 590.0 0.057 0.044 0.027 0.000 0.000 0.000 3/20736 600.0 0.057 0.043 0.027 0.000 0.000 0.000 3/20736 610.0 0.056 0.043 0.027 0.000 0.000 0.000 3/20736 620.0 0.056 0.043 0.026 0.000 0.000 0.000 3/20736 630.0 0.056 0.042 0.026 0.000 0.000 0.000 3/20736 640.0 0.055 0.042 0.026 0.000 0.000 0.000 3/20736 650.0 0.055 0.041 0.026 0.000 0.000 0.000 3/20736 660.0 0.054 0.041 0.025 0.000 0.000 0.000 3/20736 670.0 0.054 0.040 0.025 0.000 0.000 0.000 3/20736 680.0 0.054 0.040 0.025 0.000 0.000 0.000 3/20736 690.0 0.053 0.039 0.024 0.000 0.000 0.000 3/20736 700.0 0.053 0.039 0.024 0.000 0.000 0.000 3/20736 710.0 0.052 0.039 0.024 0.000 0.000 0.000 3/20736 720.0 0.052 0.038 0.024 0.000 0.000 0.000 3/20736 730.0 0.052 0.038 0.024 0.000 0.000 0.000 3/20736 740.0 0.051 0.037 0.023 0.000 0.000 0.000 3/20736 750.0 0.051 0.037 0.023 0.000 0.000 0.000 3/20736 760.0 0.050 0.037 0.023 0.000 0.000 0.000 3/20736 770.0 0.050 0.036 0.023 0.000 0.000 0.000 3/20736 780.0 0.050 0.036 0.022 0.000 0.000 0.000 3/20736 790.0 0.049 0.036 0.022 0.000 0.000 0.000 3/20736 800.0 0.049 0.035 0.022 0.000 0.000 0.000 3/20736 810.0 0.049 0.035 0.022 0.000 0.000 0.000 3/20736 820.0 0.048 0.035 0.022 0.000 0.000 0.000 3/20736 830.0 0.048 0.034 0.021 0.000 0.000 0.000 3/20736 840.0 0.047 0.034 0.021 0.000 0.000 0.000 3/20736 850.0 0.047 0.034 0.021 0.000 0.000 0.000 3/20736 860.0 0.047 0.033 0.021 0.000 0.000 0.000 3/20736 870.0 0.046 0.033 0.021 0.000 0.000 0.000 3/20736 880.0 0.046 0.033 0.020 0.000 0.000 0.000 3/20736 890.0 0.046 0.033 0.020 0.000 0.000 0.000 3/20736 900.0 0.045 0.032 0.020 0.000 0.000 0.000 3/20736 910.0 0.045 0.032 0.020 0.000 0.000 0.000 3/20736 920.0 0.045 0.032 0.020 0.000 0.000 0.000 3/20736 930.0 0.044 0.031 0.019 0.000 0.000 0.000 3/20736 940.0 0.044 0.031 0.019 0.000 0.000 0.000 3/20736 950.0 0.044 0.031 0.019 0.000 0.000 0.000 3/20736 960.0 0.043 0.031 0.019 0.000 0.000 0.000 3/20736 970.0 0.043 0.030 0.019 0.000 0.000 0.000 3/20736 980.0 0.043 0.030 0.019 0.000 0.000 0.000 3/20736 990.0 0.042 0.030 0.018 0.000 0.000 0.000 3/20736 1000.0 0.042 0.030 0.018 0.000 0.000 0.000 3/20736 Thermal conductivity related properties were written into "kappa-m984.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:35:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|