----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:05:19]------------------------- 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: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.586353390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.136248429999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.040674859999999 Atomic positions (fractional): *1 O 0.78373840830924 0.66815620661534 0.13117105512801 15.999 2 O 0.71626159169076 0.83184379338466 0.63117105512801 15.999 3 O 0.28373840830924 0.83184379338466 0.86882894487199 15.999 4 O 0.21626159169076 0.66815620661534 0.36882894487199 15.999 5 O 0.21626159169076 0.33184379338467 0.86882894487199 15.999 6 O 0.28373840830924 0.16815620661534 0.36882894487199 15.999 7 O 0.71626159169076 0.16815620661534 0.13117105512801 15.999 8 O 0.78373840830924 0.33184379338467 0.63117105512801 15.999 *9 O 0.80985609792557 0.54244451006655 0.57304916397429 15.999 10 O 0.69014390207443 0.95755548993345 0.07304916397429 15.999 11 O 0.30985609792557 0.95755548993345 0.42695083602571 15.999 12 O 0.19014390207443 0.54244451006655 0.92695083602571 15.999 13 O 0.19014390207443 0.45755548993345 0.42695083602571 15.999 14 O 0.30985609792557 0.04244451006655 0.92695083602571 15.999 15 O 0.69014390207443 0.04244451006655 0.57304916397429 15.999 16 O 0.80985609792557 0.45755548993345 0.07304916397429 15.999 *17 Sr 0.50000000000000 0.66681646337890 0.75000000000000 87.620 18 Sr 0.00000000000000 0.83318353662110 0.25000000000000 87.620 19 Sr 0.50000000000000 0.33318353662110 0.25000000000000 87.620 20 Sr 0.00000000000000 0.16681646337890 0.75000000000000 87.620 *21 Te 0.00000000000000 0.42983798287549 0.75000000000000 127.600 22 Te 0.50000000000000 0.07016201712451 0.25000000000000 127.600 23 Te 0.00000000000000 0.57016201712451 0.25000000000000 127.600 24 Te 0.50000000000000 0.92983798287549 0.75000000000000 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.586353390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.136248429999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.040674859999999 Atomic positions (fractional): *1 O 0.78373840830924 0.66815620661534 0.13117105512801 15.999 > 1 2 O 0.71626159169076 0.83184379338466 0.63117105512801 15.999 > 2 3 O 0.28373840830924 0.83184379338466 0.86882894487199 15.999 > 3 4 O 0.21626159169076 0.66815620661534 0.36882894487199 15.999 > 4 5 O 0.21626159169076 0.33184379338467 0.86882894487199 15.999 > 5 6 O 0.28373840830924 0.16815620661534 0.36882894487199 15.999 > 6 7 O 0.71626159169076 0.16815620661534 0.13117105512801 15.999 > 7 8 O 0.78373840830924 0.33184379338467 0.63117105512801 15.999 > 8 *9 O 0.80985609792557 0.54244451006655 0.57304916397429 15.999 > 9 10 O 0.69014390207443 0.95755548993345 0.07304916397429 15.999 > 10 11 O 0.30985609792557 0.95755548993345 0.42695083602571 15.999 > 11 12 O 0.19014390207443 0.54244451006655 0.92695083602571 15.999 > 12 13 O 0.19014390207443 0.45755548993345 0.42695083602571 15.999 > 13 14 O 0.30985609792557 0.04244451006655 0.92695083602571 15.999 > 14 15 O 0.69014390207443 0.04244451006655 0.57304916397429 15.999 > 15 16 O 0.80985609792557 0.45755548993345 0.07304916397429 15.999 > 16 *17 Sr 0.50000000000000 0.66681646337890 0.75000000000000 87.620 > 17 18 Sr 0.00000000000000 0.83318353662110 0.25000000000000 87.620 > 18 19 Sr 0.50000000000000 0.33318353662110 0.25000000000000 87.620 > 19 20 Sr 0.00000000000000 0.16681646337890 0.75000000000000 87.620 > 20 *21 Te 0.00000000000000 0.42983798287549 0.75000000000000 127.600 > 21 22 Te 0.50000000000000 0.07016201712451 0.25000000000000 127.600 > 22 23 Te 0.00000000000000 0.57016201712451 0.25000000000000 127.600 > 23 24 Te 0.50000000000000 0.92983798287549 0.75000000000000 127.600 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.172706780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.136248429999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.122024579999998 Atomic positions (fractional): *1 O 0.39186920415462 0.66815620661534 0.04372368504267 15.999 > 1 2 O 0.89186920415462 0.66815620661534 0.04372368504267 15.999 > 1 3 O 0.39186920415462 0.66815620661534 0.37705701837600 15.999 > 1 4 O 0.89186920415462 0.66815620661534 0.37705701837600 15.999 > 1 5 O 0.39186920415462 0.66815620661534 0.71039035170934 15.999 > 1 6 O 0.89186920415462 0.66815620661534 0.71039035170934 15.999 > 1 7 O 0.35813079584538 0.83184379338466 0.21039035170934 15.999 > 2 8 O 0.85813079584538 0.83184379338466 0.21039035170934 15.999 > 2 9 O 0.35813079584538 0.83184379338466 0.54372368504267 15.999 > 2 10 O 0.85813079584538 0.83184379338466 0.54372368504267 15.999 > 2 11 O 0.35813079584538 0.83184379338466 0.87705701837600 15.999 > 2 12 O 0.85813079584538 0.83184379338466 0.87705701837600 15.999 > 2 13 O 0.14186920415462 0.83184379338466 0.28960964829066 15.999 > 3 14 O 0.64186920415462 0.83184379338466 0.28960964829066 15.999 > 3 15 O 0.14186920415462 0.83184379338466 0.62294298162400 15.999 > 3 16 O 0.64186920415462 0.83184379338466 0.62294298162400 15.999 > 3 17 O 0.14186920415462 0.83184379338466 0.95627631495733 15.999 > 3 18 O 0.64186920415462 0.83184379338466 0.95627631495733 15.999 > 3 19 O 0.10813079584538 0.66815620661534 0.12294298162400 15.999 > 4 20 O 0.60813079584538 0.66815620661534 0.12294298162400 15.999 > 4 21 O 0.10813079584538 0.66815620661534 0.45627631495733 15.999 > 4 22 O 0.60813079584538 0.66815620661534 0.45627631495733 15.999 > 4 23 O 0.10813079584538 0.66815620661534 0.78960964829066 15.999 > 4 24 O 0.60813079584538 0.66815620661534 0.78960964829066 15.999 > 4 25 O 0.10813079584538 0.33184379338467 0.28960964829066 15.999 > 5 26 O 0.60813079584538 0.33184379338467 0.28960964829066 15.999 > 5 27 O 0.10813079584538 0.33184379338467 0.62294298162400 15.999 > 5 28 O 0.60813079584538 0.33184379338467 0.62294298162400 15.999 > 5 29 O 0.10813079584538 0.33184379338467 0.95627631495733 15.999 > 5 30 O 0.60813079584538 0.33184379338467 0.95627631495733 15.999 > 5 31 O 0.14186920415462 0.16815620661534 0.12294298162400 15.999 > 6 32 O 0.64186920415462 0.16815620661534 0.12294298162400 15.999 > 6 33 O 0.14186920415462 0.16815620661534 0.45627631495733 15.999 > 6 34 O 0.64186920415462 0.16815620661534 0.45627631495733 15.999 > 6 35 O 0.14186920415462 0.16815620661534 0.78960964829066 15.999 > 6 36 O 0.64186920415462 0.16815620661534 0.78960964829066 15.999 > 6 37 O 0.35813079584538 0.16815620661534 0.04372368504267 15.999 > 7 38 O 0.85813079584538 0.16815620661534 0.04372368504267 15.999 > 7 39 O 0.35813079584538 0.16815620661534 0.37705701837600 15.999 > 7 40 O 0.85813079584538 0.16815620661534 0.37705701837600 15.999 > 7 41 O 0.35813079584538 0.16815620661534 0.71039035170934 15.999 > 7 42 O 0.85813079584538 0.16815620661534 0.71039035170934 15.999 > 7 43 O 0.39186920415462 0.33184379338467 0.21039035170934 15.999 > 8 44 O 0.89186920415462 0.33184379338467 0.21039035170934 15.999 > 8 45 O 0.39186920415462 0.33184379338467 0.54372368504267 15.999 > 8 46 O 0.89186920415462 0.33184379338467 0.54372368504267 15.999 > 8 47 O 0.39186920415462 0.33184379338467 0.87705701837600 15.999 > 8 48 O 0.89186920415462 0.33184379338467 0.87705701837600 15.999 > 8 *49 O 0.40492804896278 0.54244451006655 0.19101638799143 15.999 > 9 50 O 0.90492804896278 0.54244451006655 0.19101638799143 15.999 > 9 51 O 0.40492804896278 0.54244451006655 0.52434972132476 15.999 > 9 52 O 0.90492804896278 0.54244451006655 0.52434972132476 15.999 > 9 53 O 0.40492804896278 0.54244451006655 0.85768305465810 15.999 > 9 54 O 0.90492804896278 0.54244451006655 0.85768305465810 15.999 > 9 55 O 0.34507195103722 0.95755548993345 0.02434972132476 15.999 > 10 56 O 0.84507195103722 0.95755548993345 0.02434972132476 15.999 > 10 57 O 0.34507195103722 0.95755548993345 0.35768305465810 15.999 > 10 58 O 0.84507195103722 0.95755548993345 0.35768305465810 15.999 > 10 59 O 0.34507195103722 0.95755548993345 0.69101638799143 15.999 > 10 60 O 0.84507195103722 0.95755548993345 0.69101638799143 15.999 > 10 61 O 0.15492804896278 0.95755548993345 0.14231694534190 15.999 > 11 62 O 0.65492804896278 0.95755548993345 0.14231694534190 15.999 > 11 63 O 0.15492804896278 0.95755548993345 0.47565027867524 15.999 > 11 64 O 0.65492804896278 0.95755548993345 0.47565027867524 15.999 > 11 65 O 0.15492804896278 0.95755548993345 0.80898361200857 15.999 > 11 66 O 0.65492804896278 0.95755548993345 0.80898361200857 15.999 > 11 67 O 0.09507195103722 0.54244451006655 0.30898361200857 15.999 > 12 68 O 0.59507195103722 0.54244451006655 0.30898361200857 15.999 > 12 69 O 0.09507195103722 0.54244451006655 0.64231694534190 15.999 > 12 70 O 0.59507195103722 0.54244451006655 0.64231694534190 15.999 > 12 71 O 0.09507195103722 0.54244451006655 0.97565027867524 15.999 > 12 72 O 0.59507195103722 0.54244451006655 0.97565027867524 15.999 > 12 73 O 0.09507195103722 0.45755548993345 0.14231694534190 15.999 > 13 74 O 0.59507195103722 0.45755548993345 0.14231694534190 15.999 > 13 75 O 0.09507195103722 0.45755548993345 0.47565027867524 15.999 > 13 76 O 0.59507195103722 0.45755548993345 0.47565027867524 15.999 > 13 77 O 0.09507195103722 0.45755548993345 0.80898361200857 15.999 > 13 78 O 0.59507195103722 0.45755548993345 0.80898361200857 15.999 > 13 79 O 0.15492804896278 0.04244451006655 0.30898361200857 15.999 > 14 80 O 0.65492804896278 0.04244451006655 0.30898361200857 15.999 > 14 81 O 0.15492804896278 0.04244451006655 0.64231694534190 15.999 > 14 82 O 0.65492804896278 0.04244451006655 0.64231694534190 15.999 > 14 83 O 0.15492804896278 0.04244451006655 0.97565027867524 15.999 > 14 84 O 0.65492804896278 0.04244451006655 0.97565027867524 15.999 > 14 85 O 0.34507195103722 0.04244451006655 0.19101638799143 15.999 > 15 86 O 0.84507195103722 0.04244451006655 0.19101638799143 15.999 > 15 87 O 0.34507195103722 0.04244451006655 0.52434972132476 15.999 > 15 88 O 0.84507195103722 0.04244451006655 0.52434972132476 15.999 > 15 89 O 0.34507195103722 0.04244451006655 0.85768305465810 15.999 > 15 90 O 0.84507195103722 0.04244451006655 0.85768305465810 15.999 > 15 91 O 0.40492804896278 0.45755548993345 0.02434972132476 15.999 > 16 92 O 0.90492804896278 0.45755548993345 0.02434972132476 15.999 > 16 93 O 0.40492804896278 0.45755548993345 0.35768305465810 15.999 > 16 94 O 0.90492804896278 0.45755548993345 0.35768305465810 15.999 > 16 95 O 0.40492804896278 0.45755548993345 0.69101638799143 15.999 > 16 96 O 0.90492804896278 0.45755548993345 0.69101638799143 15.999 > 16 *97 Sr 0.25000000000000 0.66681646337890 0.25000000000000 87.620 > 17 98 Sr 0.75000000000000 0.66681646337890 0.25000000000000 87.620 > 17 99 Sr 0.25000000000000 0.66681646337890 0.58333333333333 87.620 > 17 100 Sr 0.75000000000000 0.66681646337890 0.58333333333333 87.620 > 17 101 Sr 0.25000000000000 0.66681646337890 0.91666666666667 87.620 > 17 102 Sr 0.75000000000000 0.66681646337890 0.91666666666667 87.620 > 17 103 Sr 0.00000000000000 0.83318353662110 0.08333333333333 87.620 > 18 104 Sr 0.50000000000000 0.83318353662110 0.08333333333333 87.620 > 18 105 Sr 0.00000000000000 0.83318353662110 0.41666666666667 87.620 > 18 106 Sr 0.50000000000000 0.83318353662110 0.41666666666667 87.620 > 18 107 Sr 0.00000000000000 0.83318353662110 0.75000000000000 87.620 > 18 108 Sr 0.50000000000000 0.83318353662110 0.75000000000000 87.620 > 18 109 Sr 0.25000000000000 0.33318353662110 0.08333333333333 87.620 > 19 110 Sr 0.75000000000000 0.33318353662110 0.08333333333333 87.620 > 19 111 Sr 0.25000000000000 0.33318353662110 0.41666666666667 87.620 > 19 112 Sr 0.75000000000000 0.33318353662110 0.41666666666667 87.620 > 19 113 Sr 0.25000000000000 0.33318353662110 0.75000000000000 87.620 > 19 114 Sr 0.75000000000000 0.33318353662110 0.75000000000000 87.620 > 19 115 Sr 0.00000000000000 0.16681646337890 0.25000000000000 87.620 > 20 116 Sr 0.50000000000000 0.16681646337890 0.25000000000000 87.620 > 20 117 Sr 0.00000000000000 0.16681646337890 0.58333333333333 87.620 > 20 118 Sr 0.50000000000000 0.16681646337890 0.58333333333333 87.620 > 20 119 Sr 0.00000000000000 0.16681646337890 0.91666666666667 87.620 > 20 120 Sr 0.50000000000000 0.16681646337890 0.91666666666667 87.620 > 20 *121 Te 0.00000000000000 0.42983798287549 0.25000000000000 127.600 > 21 122 Te 0.50000000000000 0.42983798287549 0.25000000000000 127.600 > 21 123 Te 0.00000000000000 0.42983798287549 0.58333333333333 127.600 > 21 124 Te 0.50000000000000 0.42983798287549 0.58333333333333 127.600 > 21 125 Te 0.00000000000000 0.42983798287549 0.91666666666667 127.600 > 21 126 Te 0.50000000000000 0.42983798287549 0.91666666666667 127.600 > 21 127 Te 0.25000000000000 0.07016201712451 0.08333333333333 127.600 > 22 128 Te 0.75000000000000 0.07016201712451 0.08333333333333 127.600 > 22 129 Te 0.25000000000000 0.07016201712451 0.41666666666667 127.600 > 22 130 Te 0.75000000000000 0.07016201712451 0.41666666666667 127.600 > 22 131 Te 0.25000000000000 0.07016201712451 0.75000000000000 127.600 > 22 132 Te 0.75000000000000 0.07016201712451 0.75000000000000 127.600 > 22 133 Te 0.00000000000000 0.57016201712451 0.08333333333333 127.600 > 23 134 Te 0.50000000000000 0.57016201712451 0.08333333333333 127.600 > 23 135 Te 0.00000000000000 0.57016201712451 0.41666666666667 127.600 > 23 136 Te 0.50000000000000 0.57016201712451 0.41666666666667 127.600 > 23 137 Te 0.00000000000000 0.57016201712451 0.75000000000000 127.600 > 23 138 Te 0.50000000000000 0.57016201712451 0.75000000000000 127.600 > 23 139 Te 0.25000000000000 0.92983798287549 0.25000000000000 127.600 > 24 140 Te 0.75000000000000 0.92983798287549 0.25000000000000 127.600 > 24 141 Te 0.25000000000000 0.92983798287549 0.58333333333333 127.600 > 24 142 Te 0.75000000000000 0.92983798287549 0.58333333333333 127.600 > 24 143 Te 0.25000000000000 0.92983798287549 0.91666666666667 127.600 > 24 144 Te 0.75000000000000 0.92983798287549 0.91666666666667 127.600 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0885411 0.0000000 0.0000000 0.0000000 3.4715680 0.0000000 0.0000000 0.0000000 3.6307482 -------------------------- Born effective charges -------------------------- 1 O -1.6721651 0.3112303 -0.4620525 0.2658305 -1.9505162 0.1893807 -0.3828864 0.0182996 -1.6132274 2 O -1.6721651 0.3112303 0.4620525 0.2658305 -1.9505162 -0.1893807 0.3828864 -0.0182996 -1.6132274 3 O -1.6721651 -0.3112303 0.4620525 -0.2658305 -1.9505162 0.1893807 0.3828864 0.0182996 -1.6132274 4 O -1.6721651 -0.3112303 -0.4620525 -0.2658305 -1.9505162 -0.1893807 -0.3828864 -0.0182996 -1.6132274 5 O -1.6721651 0.3112303 -0.4620525 0.2658305 -1.9505162 0.1893807 -0.3828864 0.0182996 -1.6132274 6 O -1.6721651 0.3112303 0.4620525 0.2658305 -1.9505162 -0.1893807 0.3828864 -0.0182996 -1.6132274 7 O -1.6721651 -0.3112303 0.4620525 -0.2658305 -1.9505162 0.1893807 0.3828864 0.0182996 -1.6132274 8 O -1.6721651 -0.3112303 -0.4620525 -0.2658305 -1.9505162 -0.1893807 -0.3828864 -0.0182996 -1.6132274 9 O -1.4047765 0.2833787 0.2148030 0.2969322 -1.6959593 0.3835092 0.1385464 0.6029172 -2.3223607 10 O -1.4047765 0.2833787 -0.2148030 0.2969322 -1.6959593 -0.3835092 -0.1385464 -0.6029172 -2.3223607 11 O -1.4047765 -0.2833787 -0.2148030 -0.2969322 -1.6959593 0.3835092 -0.1385464 0.6029172 -2.3223607 12 O -1.4047765 -0.2833787 0.2148030 -0.2969322 -1.6959593 -0.3835092 0.1385464 -0.6029172 -2.3223607 13 O -1.4047765 0.2833787 0.2148030 0.2969322 -1.6959593 0.3835092 0.1385464 0.6029172 -2.3223607 14 O -1.4047765 0.2833787 -0.2148030 0.2969322 -1.6959593 -0.3835092 -0.1385464 -0.6029172 -2.3223607 15 O -1.4047765 -0.2833787 -0.2148030 -0.2969322 -1.6959593 0.3835092 -0.1385464 0.6029172 -2.3223607 16 O -1.4047765 -0.2833787 0.2148030 -0.2969322 -1.6959593 -0.3835092 0.1385464 -0.6029172 -2.3223607 17 Sr 2.7572528 0.0000000 0.2911117 0.0000000 2.7645529 0.0000000 0.1853144 0.0000000 2.3664961 18 Sr 2.7572528 0.0000000 -0.2911117 0.0000000 2.7645529 0.0000000 -0.1853144 0.0000000 2.3664961 19 Sr 2.7572528 0.0000000 0.2911117 0.0000000 2.7645529 0.0000000 0.1853144 0.0000000 2.3664961 20 Sr 2.7572528 0.0000000 -0.2911117 0.0000000 2.7645529 0.0000000 -0.1853144 0.0000000 2.3664961 21 Te 3.3966305 0.0000000 0.1169950 0.0000000 4.5283982 0.0000000 0.1723495 0.0000000 5.5046801 22 Te 3.3966305 0.0000000 -0.1169950 0.0000000 4.5283982 0.0000000 -0.1723495 0.0000000 5.5046801 23 Te 3.3966305 0.0000000 0.1169950 0.0000000 4.5283982 0.0000000 0.1723495 0.0000000 5.5046801 24 Te 3.3966305 0.0000000 -0.1169950 0.0000000 4.5283982 0.0000000 -0.1723495 0.0000000 5.5046801 ---------------------------------------------------------------------------- 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: 2038 Number of blocks in projector: 2038 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2038, 2010), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 400 - Time: 4.832 Solver_block: 200 / 400 - Time: 4.836 Solver_block: 300 / 400 - Time: 4.695 Solver_block: 400 / 400 - Time: 4.692 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.218 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 2038 Number of blocks in projector: 2038 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 250 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 250 Use standard eigh solver. Tree of FC basis block matrices: - (2038, 2010), data: False |-- (250, 246), data: True |-- (250, 246), data: True |-- (250, 246), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 432), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:06:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:19]------------------------- 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): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.586353390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.136248429999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.040674859999999 Atomic positions (fractional): 1 O 0.78373840830924 0.66815620661534 0.13117105512801 15.999 2 O 0.71626159169076 0.83184379338466 0.63117105512801 15.999 3 O 0.28373840830924 0.83184379338466 0.86882894487199 15.999 4 O 0.21626159169076 0.66815620661534 0.36882894487199 15.999 5 O 0.21626159169076 0.33184379338467 0.86882894487199 15.999 6 O 0.28373840830924 0.16815620661534 0.36882894487199 15.999 7 O 0.71626159169076 0.16815620661534 0.13117105512801 15.999 8 O 0.78373840830924 0.33184379338467 0.63117105512801 15.999 9 O 0.80985609792557 0.54244451006655 0.57304916397429 15.999 10 O 0.69014390207443 0.95755548993345 0.07304916397429 15.999 11 O 0.30985609792557 0.95755548993345 0.42695083602571 15.999 12 O 0.19014390207443 0.54244451006655 0.92695083602571 15.999 13 O 0.19014390207443 0.45755548993345 0.42695083602571 15.999 14 O 0.30985609792557 0.04244451006655 0.92695083602571 15.999 15 O 0.69014390207443 0.04244451006655 0.57304916397429 15.999 16 O 0.80985609792557 0.45755548993345 0.07304916397429 15.999 17 Sr 0.50000000000000 0.66681646337890 0.75000000000000 87.620 18 Sr 0.00000000000000 0.83318353662110 0.25000000000000 87.620 19 Sr 0.50000000000000 0.33318353662110 0.25000000000000 87.620 20 Sr 0.00000000000000 0.16681646337890 0.75000000000000 87.620 21 Te 0.00000000000000 0.42983798287549 0.75000000000000 127.600 22 Te 0.50000000000000 0.07016201712451 0.25000000000000 127.600 23 Te 0.00000000000000 0.57016201712451 0.25000000000000 127.600 24 Te 0.50000000000000 0.92983798287549 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.172706780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.136248429999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.122024579999998 Atomic positions (fractional): 1 O 0.39186920415462 0.66815620661534 0.04372368504267 15.999 > 1 2 O 0.89186920415462 0.66815620661534 0.04372368504267 15.999 > 1 3 O 0.39186920415462 0.66815620661534 0.37705701837600 15.999 > 1 4 O 0.89186920415462 0.66815620661534 0.37705701837600 15.999 > 1 5 O 0.39186920415462 0.66815620661534 0.71039035170934 15.999 > 1 6 O 0.89186920415462 0.66815620661534 0.71039035170934 15.999 > 1 7 O 0.35813079584538 0.83184379338466 0.21039035170934 15.999 > 7 8 O 0.85813079584538 0.83184379338466 0.21039035170934 15.999 > 7 9 O 0.35813079584538 0.83184379338466 0.54372368504267 15.999 > 7 10 O 0.85813079584538 0.83184379338466 0.54372368504267 15.999 > 7 11 O 0.35813079584538 0.83184379338466 0.87705701837600 15.999 > 7 12 O 0.85813079584538 0.83184379338466 0.87705701837600 15.999 > 7 13 O 0.14186920415462 0.83184379338466 0.28960964829066 15.999 > 13 14 O 0.64186920415462 0.83184379338466 0.28960964829066 15.999 > 13 15 O 0.14186920415462 0.83184379338466 0.62294298162400 15.999 > 13 16 O 0.64186920415462 0.83184379338466 0.62294298162400 15.999 > 13 17 O 0.14186920415462 0.83184379338466 0.95627631495733 15.999 > 13 18 O 0.64186920415462 0.83184379338466 0.95627631495733 15.999 > 13 19 O 0.10813079584538 0.66815620661534 0.12294298162400 15.999 > 19 20 O 0.60813079584538 0.66815620661534 0.12294298162400 15.999 > 19 21 O 0.10813079584538 0.66815620661534 0.45627631495733 15.999 > 19 22 O 0.60813079584538 0.66815620661534 0.45627631495733 15.999 > 19 23 O 0.10813079584538 0.66815620661534 0.78960964829066 15.999 > 19 24 O 0.60813079584538 0.66815620661534 0.78960964829066 15.999 > 19 25 O 0.10813079584538 0.33184379338467 0.28960964829066 15.999 > 25 26 O 0.60813079584538 0.33184379338467 0.28960964829066 15.999 > 25 27 O 0.10813079584538 0.33184379338467 0.62294298162400 15.999 > 25 28 O 0.60813079584538 0.33184379338467 0.62294298162400 15.999 > 25 29 O 0.10813079584538 0.33184379338467 0.95627631495733 15.999 > 25 30 O 0.60813079584538 0.33184379338467 0.95627631495733 15.999 > 25 31 O 0.14186920415462 0.16815620661534 0.12294298162400 15.999 > 31 32 O 0.64186920415462 0.16815620661534 0.12294298162400 15.999 > 31 33 O 0.14186920415462 0.16815620661534 0.45627631495733 15.999 > 31 34 O 0.64186920415462 0.16815620661534 0.45627631495733 15.999 > 31 35 O 0.14186920415462 0.16815620661534 0.78960964829066 15.999 > 31 36 O 0.64186920415462 0.16815620661534 0.78960964829066 15.999 > 31 37 O 0.35813079584538 0.16815620661534 0.04372368504267 15.999 > 37 38 O 0.85813079584538 0.16815620661534 0.04372368504267 15.999 > 37 39 O 0.35813079584538 0.16815620661534 0.37705701837600 15.999 > 37 40 O 0.85813079584538 0.16815620661534 0.37705701837600 15.999 > 37 41 O 0.35813079584538 0.16815620661534 0.71039035170934 15.999 > 37 42 O 0.85813079584538 0.16815620661534 0.71039035170934 15.999 > 37 43 O 0.39186920415462 0.33184379338467 0.21039035170934 15.999 > 43 44 O 0.89186920415462 0.33184379338467 0.21039035170934 15.999 > 43 45 O 0.39186920415462 0.33184379338467 0.54372368504267 15.999 > 43 46 O 0.89186920415462 0.33184379338467 0.54372368504267 15.999 > 43 47 O 0.39186920415462 0.33184379338467 0.87705701837600 15.999 > 43 48 O 0.89186920415462 0.33184379338467 0.87705701837600 15.999 > 43 49 O 0.40492804896278 0.54244451006655 0.19101638799143 15.999 > 49 50 O 0.90492804896278 0.54244451006655 0.19101638799143 15.999 > 49 51 O 0.40492804896278 0.54244451006655 0.52434972132476 15.999 > 49 52 O 0.90492804896278 0.54244451006655 0.52434972132476 15.999 > 49 53 O 0.40492804896278 0.54244451006655 0.85768305465810 15.999 > 49 54 O 0.90492804896278 0.54244451006655 0.85768305465810 15.999 > 49 55 O 0.34507195103722 0.95755548993345 0.02434972132476 15.999 > 55 56 O 0.84507195103722 0.95755548993345 0.02434972132476 15.999 > 55 57 O 0.34507195103722 0.95755548993345 0.35768305465810 15.999 > 55 58 O 0.84507195103722 0.95755548993345 0.35768305465810 15.999 > 55 59 O 0.34507195103722 0.95755548993345 0.69101638799143 15.999 > 55 60 O 0.84507195103722 0.95755548993345 0.69101638799143 15.999 > 55 61 O 0.15492804896278 0.95755548993345 0.14231694534190 15.999 > 61 62 O 0.65492804896278 0.95755548993345 0.14231694534190 15.999 > 61 63 O 0.15492804896278 0.95755548993345 0.47565027867524 15.999 > 61 64 O 0.65492804896278 0.95755548993345 0.47565027867524 15.999 > 61 65 O 0.15492804896278 0.95755548993345 0.80898361200857 15.999 > 61 66 O 0.65492804896278 0.95755548993345 0.80898361200857 15.999 > 61 67 O 0.09507195103722 0.54244451006655 0.30898361200857 15.999 > 67 68 O 0.59507195103722 0.54244451006655 0.30898361200857 15.999 > 67 69 O 0.09507195103722 0.54244451006655 0.64231694534190 15.999 > 67 70 O 0.59507195103722 0.54244451006655 0.64231694534190 15.999 > 67 71 O 0.09507195103722 0.54244451006655 0.97565027867524 15.999 > 67 72 O 0.59507195103722 0.54244451006655 0.97565027867524 15.999 > 67 73 O 0.09507195103722 0.45755548993345 0.14231694534190 15.999 > 73 74 O 0.59507195103722 0.45755548993345 0.14231694534190 15.999 > 73 75 O 0.09507195103722 0.45755548993345 0.47565027867524 15.999 > 73 76 O 0.59507195103722 0.45755548993345 0.47565027867524 15.999 > 73 77 O 0.09507195103722 0.45755548993345 0.80898361200857 15.999 > 73 78 O 0.59507195103722 0.45755548993345 0.80898361200857 15.999 > 73 79 O 0.15492804896278 0.04244451006655 0.30898361200857 15.999 > 79 80 O 0.65492804896278 0.04244451006655 0.30898361200857 15.999 > 79 81 O 0.15492804896278 0.04244451006655 0.64231694534190 15.999 > 79 82 O 0.65492804896278 0.04244451006655 0.64231694534190 15.999 > 79 83 O 0.15492804896278 0.04244451006655 0.97565027867524 15.999 > 79 84 O 0.65492804896278 0.04244451006655 0.97565027867524 15.999 > 79 85 O 0.34507195103722 0.04244451006655 0.19101638799143 15.999 > 85 86 O 0.84507195103722 0.04244451006655 0.19101638799143 15.999 > 85 87 O 0.34507195103722 0.04244451006655 0.52434972132476 15.999 > 85 88 O 0.84507195103722 0.04244451006655 0.52434972132476 15.999 > 85 89 O 0.34507195103722 0.04244451006655 0.85768305465810 15.999 > 85 90 O 0.84507195103722 0.04244451006655 0.85768305465810 15.999 > 85 91 O 0.40492804896278 0.45755548993345 0.02434972132476 15.999 > 91 92 O 0.90492804896278 0.45755548993345 0.02434972132476 15.999 > 91 93 O 0.40492804896278 0.45755548993345 0.35768305465810 15.999 > 91 94 O 0.90492804896278 0.45755548993345 0.35768305465810 15.999 > 91 95 O 0.40492804896278 0.45755548993345 0.69101638799143 15.999 > 91 96 O 0.90492804896278 0.45755548993345 0.69101638799143 15.999 > 91 97 Sr 0.25000000000000 0.66681646337890 0.25000000000000 87.620 > 97 98 Sr 0.75000000000000 0.66681646337890 0.25000000000000 87.620 > 97 99 Sr 0.25000000000000 0.66681646337890 0.58333333333333 87.620 > 97 100 Sr 0.75000000000000 0.66681646337890 0.58333333333333 87.620 > 97 101 Sr 0.25000000000000 0.66681646337890 0.91666666666667 87.620 > 97 102 Sr 0.75000000000000 0.66681646337890 0.91666666666667 87.620 > 97 103 Sr 0.00000000000000 0.83318353662110 0.08333333333333 87.620 > 103 104 Sr 0.50000000000000 0.83318353662110 0.08333333333333 87.620 > 103 105 Sr 0.00000000000000 0.83318353662110 0.41666666666667 87.620 > 103 106 Sr 0.50000000000000 0.83318353662110 0.41666666666667 87.620 > 103 107 Sr 0.00000000000000 0.83318353662110 0.75000000000000 87.620 > 103 108 Sr 0.50000000000000 0.83318353662110 0.75000000000000 87.620 > 103 109 Sr 0.25000000000000 0.33318353662110 0.08333333333333 87.620 > 109 110 Sr 0.75000000000000 0.33318353662110 0.08333333333333 87.620 > 109 111 Sr 0.25000000000000 0.33318353662110 0.41666666666667 87.620 > 109 112 Sr 0.75000000000000 0.33318353662110 0.41666666666667 87.620 > 109 113 Sr 0.25000000000000 0.33318353662110 0.75000000000000 87.620 > 109 114 Sr 0.75000000000000 0.33318353662110 0.75000000000000 87.620 > 109 115 Sr 0.00000000000000 0.16681646337890 0.25000000000000 87.620 > 115 116 Sr 0.50000000000000 0.16681646337890 0.25000000000000 87.620 > 115 117 Sr 0.00000000000000 0.16681646337890 0.58333333333333 87.620 > 115 118 Sr 0.50000000000000 0.16681646337890 0.58333333333333 87.620 > 115 119 Sr 0.00000000000000 0.16681646337890 0.91666666666667 87.620 > 115 120 Sr 0.50000000000000 0.16681646337890 0.91666666666667 87.620 > 115 121 Te 0.00000000000000 0.42983798287549 0.25000000000000 127.600 > 121 122 Te 0.50000000000000 0.42983798287549 0.25000000000000 127.600 > 121 123 Te 0.00000000000000 0.42983798287549 0.58333333333333 127.600 > 121 124 Te 0.50000000000000 0.42983798287549 0.58333333333333 127.600 > 121 125 Te 0.00000000000000 0.42983798287549 0.91666666666667 127.600 > 121 126 Te 0.50000000000000 0.42983798287549 0.91666666666667 127.600 > 121 127 Te 0.25000000000000 0.07016201712451 0.08333333333333 127.600 > 127 128 Te 0.75000000000000 0.07016201712451 0.08333333333333 127.600 > 127 129 Te 0.25000000000000 0.07016201712451 0.41666666666667 127.600 > 127 130 Te 0.75000000000000 0.07016201712451 0.41666666666667 127.600 > 127 131 Te 0.25000000000000 0.07016201712451 0.75000000000000 127.600 > 127 132 Te 0.75000000000000 0.07016201712451 0.75000000000000 127.600 > 127 133 Te 0.00000000000000 0.57016201712451 0.08333333333333 127.600 > 133 134 Te 0.50000000000000 0.57016201712451 0.08333333333333 127.600 > 133 135 Te 0.00000000000000 0.57016201712451 0.41666666666667 127.600 > 133 136 Te 0.50000000000000 0.57016201712451 0.41666666666667 127.600 > 133 137 Te 0.00000000000000 0.57016201712451 0.75000000000000 127.600 > 133 138 Te 0.50000000000000 0.57016201712451 0.75000000000000 127.600 > 133 139 Te 0.25000000000000 0.92983798287549 0.25000000000000 127.600 > 139 140 Te 0.75000000000000 0.92983798287549 0.25000000000000 127.600 > 139 141 Te 0.25000000000000 0.92983798287549 0.58333333333333 127.600 > 139 142 Te 0.75000000000000 0.92983798287549 0.58333333333333 127.600 > 139 143 Te 0.25000000000000 0.92983798287549 0.91666666666667 127.600 > 139 144 Te 0.75000000000000 0.92983798287549 0.91666666666667 127.600 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0885411 0.0000000 0.0000000 0.0000000 3.4715680 0.0000000 0.0000000 0.0000000 3.6307482 -------------------------- Born effective charges -------------------------- 1 O -1.6721651 0.3112303 -0.4620525 0.2658305 -1.9505162 0.1893807 -0.3828864 0.0182996 -1.6132274 2 O -1.6721651 0.3112303 0.4620525 0.2658305 -1.9505162 -0.1893807 0.3828864 -0.0182996 -1.6132274 3 O -1.6721651 -0.3112303 0.4620525 -0.2658305 -1.9505162 0.1893807 0.3828864 0.0182996 -1.6132274 4 O -1.6721651 -0.3112303 -0.4620525 -0.2658305 -1.9505162 -0.1893807 -0.3828864 -0.0182996 -1.6132274 5 O -1.6721651 0.3112303 -0.4620525 0.2658305 -1.9505162 0.1893807 -0.3828864 0.0182996 -1.6132274 6 O -1.6721651 0.3112303 0.4620525 0.2658305 -1.9505162 -0.1893807 0.3828864 -0.0182996 -1.6132274 7 O -1.6721651 -0.3112303 0.4620525 -0.2658305 -1.9505162 0.1893807 0.3828864 0.0182996 -1.6132274 8 O -1.6721651 -0.3112303 -0.4620525 -0.2658305 -1.9505162 -0.1893807 -0.3828864 -0.0182996 -1.6132274 9 O -1.4047765 0.2833787 0.2148030 0.2969322 -1.6959593 0.3835092 0.1385464 0.6029172 -2.3223607 10 O -1.4047765 0.2833787 -0.2148030 0.2969322 -1.6959593 -0.3835092 -0.1385464 -0.6029172 -2.3223607 11 O -1.4047765 -0.2833787 -0.2148030 -0.2969322 -1.6959593 0.3835092 -0.1385464 0.6029172 -2.3223607 12 O -1.4047765 -0.2833787 0.2148030 -0.2969322 -1.6959593 -0.3835092 0.1385464 -0.6029172 -2.3223607 13 O -1.4047765 0.2833787 0.2148030 0.2969322 -1.6959593 0.3835092 0.1385464 0.6029172 -2.3223607 14 O -1.4047765 0.2833787 -0.2148030 0.2969322 -1.6959593 -0.3835092 -0.1385464 -0.6029172 -2.3223607 15 O -1.4047765 -0.2833787 -0.2148030 -0.2969322 -1.6959593 0.3835092 -0.1385464 0.6029172 -2.3223607 16 O -1.4047765 -0.2833787 0.2148030 -0.2969322 -1.6959593 -0.3835092 0.1385464 -0.6029172 -2.3223607 17 Sr 2.7572528 0.0000000 0.2911117 0.0000000 2.7645529 0.0000000 0.1853144 0.0000000 2.3664961 18 Sr 2.7572528 0.0000000 -0.2911117 0.0000000 2.7645529 0.0000000 -0.1853144 0.0000000 2.3664961 19 Sr 2.7572528 0.0000000 0.2911117 0.0000000 2.7645529 0.0000000 0.1853144 0.0000000 2.3664961 20 Sr 2.7572528 0.0000000 -0.2911117 0.0000000 2.7645529 0.0000000 -0.1853144 0.0000000 2.3664961 21 Te 3.3966305 0.0000000 0.1169950 0.0000000 4.5283982 0.0000000 0.1723495 0.0000000 5.5046801 22 Te 3.3966305 0.0000000 -0.1169950 0.0000000 4.5283982 0.0000000 -0.1723495 0.0000000 5.5046801 23 Te 3.3966305 0.0000000 0.1169950 0.0000000 4.5283982 0.0000000 0.1723495 0.0000000 5.5046801 24 Te 3.3966305 0.0000000 -0.1169950 0.0000000 4.5283982 0.0000000 -0.1723495 0.0000000 5.5046801 ---------------------------------------------------------------------------- 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[ 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 2026-01-07 20:06:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:06:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.586353390000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.136248429999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.040674859999999 Atomic positions (fractional): 1 O 0.78373840830924 0.66815620661534 0.13117105512801 15.999 2 O 0.71626159169076 0.83184379338466 0.63117105512801 15.999 3 O 0.28373840830924 0.83184379338466 0.86882894487199 15.999 4 O 0.21626159169076 0.66815620661534 0.36882894487199 15.999 5 O 0.21626159169076 0.33184379338467 0.86882894487199 15.999 6 O 0.28373840830924 0.16815620661534 0.36882894487199 15.999 7 O 0.71626159169076 0.16815620661534 0.13117105512801 15.999 8 O 0.78373840830924 0.33184379338467 0.63117105512801 15.999 9 O 0.80985609792557 0.54244451006655 0.57304916397429 15.999 10 O 0.69014390207443 0.95755548993345 0.07304916397429 15.999 11 O 0.30985609792557 0.95755548993345 0.42695083602571 15.999 12 O 0.19014390207443 0.54244451006655 0.92695083602571 15.999 13 O 0.19014390207443 0.45755548993345 0.42695083602571 15.999 14 O 0.30985609792557 0.04244451006655 0.92695083602571 15.999 15 O 0.69014390207443 0.04244451006655 0.57304916397429 15.999 16 O 0.80985609792557 0.45755548993345 0.07304916397429 15.999 17 Sr 0.50000000000000 0.66681646337890 0.75000000000000 87.620 18 Sr 0.00000000000000 0.83318353662110 0.25000000000000 87.620 19 Sr 0.50000000000000 0.33318353662110 0.25000000000000 87.620 20 Sr 0.00000000000000 0.16681646337890 0.75000000000000 87.620 21 Te 0.00000000000000 0.42983798287549 0.75000000000000 127.600 22 Te 0.50000000000000 0.07016201712451 0.25000000000000 127.600 23 Te 0.00000000000000 0.57016201712451 0.25000000000000 127.600 24 Te 0.50000000000000 0.92983798287549 0.75000000000000 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.172706780000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.136248429999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.122024579999998 Atomic positions (fractional): 1 O 0.39186920415462 0.66815620661534 0.04372368504267 15.999 > 1 2 O 0.89186920415462 0.66815620661534 0.04372368504267 15.999 > 1 3 O 0.39186920415462 0.66815620661534 0.37705701837600 15.999 > 1 4 O 0.89186920415462 0.66815620661534 0.37705701837600 15.999 > 1 5 O 0.39186920415462 0.66815620661534 0.71039035170934 15.999 > 1 6 O 0.89186920415462 0.66815620661534 0.71039035170934 15.999 > 1 7 O 0.35813079584538 0.83184379338466 0.21039035170934 15.999 > 7 8 O 0.85813079584538 0.83184379338466 0.21039035170934 15.999 > 7 9 O 0.35813079584538 0.83184379338466 0.54372368504267 15.999 > 7 10 O 0.85813079584538 0.83184379338466 0.54372368504267 15.999 > 7 11 O 0.35813079584538 0.83184379338466 0.87705701837600 15.999 > 7 12 O 0.85813079584538 0.83184379338466 0.87705701837600 15.999 > 7 13 O 0.14186920415462 0.83184379338466 0.28960964829066 15.999 > 13 14 O 0.64186920415462 0.83184379338466 0.28960964829066 15.999 > 13 15 O 0.14186920415462 0.83184379338466 0.62294298162400 15.999 > 13 16 O 0.64186920415462 0.83184379338466 0.62294298162400 15.999 > 13 17 O 0.14186920415462 0.83184379338466 0.95627631495733 15.999 > 13 18 O 0.64186920415462 0.83184379338466 0.95627631495733 15.999 > 13 19 O 0.10813079584538 0.66815620661534 0.12294298162400 15.999 > 19 20 O 0.60813079584538 0.66815620661534 0.12294298162400 15.999 > 19 21 O 0.10813079584538 0.66815620661534 0.45627631495733 15.999 > 19 22 O 0.60813079584538 0.66815620661534 0.45627631495733 15.999 > 19 23 O 0.10813079584538 0.66815620661534 0.78960964829066 15.999 > 19 24 O 0.60813079584538 0.66815620661534 0.78960964829066 15.999 > 19 25 O 0.10813079584538 0.33184379338467 0.28960964829066 15.999 > 25 26 O 0.60813079584538 0.33184379338467 0.28960964829066 15.999 > 25 27 O 0.10813079584538 0.33184379338467 0.62294298162400 15.999 > 25 28 O 0.60813079584538 0.33184379338467 0.62294298162400 15.999 > 25 29 O 0.10813079584538 0.33184379338467 0.95627631495733 15.999 > 25 30 O 0.60813079584538 0.33184379338467 0.95627631495733 15.999 > 25 31 O 0.14186920415462 0.16815620661534 0.12294298162400 15.999 > 31 32 O 0.64186920415462 0.16815620661534 0.12294298162400 15.999 > 31 33 O 0.14186920415462 0.16815620661534 0.45627631495733 15.999 > 31 34 O 0.64186920415462 0.16815620661534 0.45627631495733 15.999 > 31 35 O 0.14186920415462 0.16815620661534 0.78960964829066 15.999 > 31 36 O 0.64186920415462 0.16815620661534 0.78960964829066 15.999 > 31 37 O 0.35813079584538 0.16815620661534 0.04372368504267 15.999 > 37 38 O 0.85813079584538 0.16815620661534 0.04372368504267 15.999 > 37 39 O 0.35813079584538 0.16815620661534 0.37705701837600 15.999 > 37 40 O 0.85813079584538 0.16815620661534 0.37705701837600 15.999 > 37 41 O 0.35813079584538 0.16815620661534 0.71039035170934 15.999 > 37 42 O 0.85813079584538 0.16815620661534 0.71039035170934 15.999 > 37 43 O 0.39186920415462 0.33184379338467 0.21039035170934 15.999 > 43 44 O 0.89186920415462 0.33184379338467 0.21039035170934 15.999 > 43 45 O 0.39186920415462 0.33184379338467 0.54372368504267 15.999 > 43 46 O 0.89186920415462 0.33184379338467 0.54372368504267 15.999 > 43 47 O 0.39186920415462 0.33184379338467 0.87705701837600 15.999 > 43 48 O 0.89186920415462 0.33184379338467 0.87705701837600 15.999 > 43 49 O 0.40492804896278 0.54244451006655 0.19101638799143 15.999 > 49 50 O 0.90492804896278 0.54244451006655 0.19101638799143 15.999 > 49 51 O 0.40492804896278 0.54244451006655 0.52434972132476 15.999 > 49 52 O 0.90492804896278 0.54244451006655 0.52434972132476 15.999 > 49 53 O 0.40492804896278 0.54244451006655 0.85768305465810 15.999 > 49 54 O 0.90492804896278 0.54244451006655 0.85768305465810 15.999 > 49 55 O 0.34507195103722 0.95755548993345 0.02434972132476 15.999 > 55 56 O 0.84507195103722 0.95755548993345 0.02434972132476 15.999 > 55 57 O 0.34507195103722 0.95755548993345 0.35768305465810 15.999 > 55 58 O 0.84507195103722 0.95755548993345 0.35768305465810 15.999 > 55 59 O 0.34507195103722 0.95755548993345 0.69101638799143 15.999 > 55 60 O 0.84507195103722 0.95755548993345 0.69101638799143 15.999 > 55 61 O 0.15492804896278 0.95755548993345 0.14231694534190 15.999 > 61 62 O 0.65492804896278 0.95755548993345 0.14231694534190 15.999 > 61 63 O 0.15492804896278 0.95755548993345 0.47565027867524 15.999 > 61 64 O 0.65492804896278 0.95755548993345 0.47565027867524 15.999 > 61 65 O 0.15492804896278 0.95755548993345 0.80898361200857 15.999 > 61 66 O 0.65492804896278 0.95755548993345 0.80898361200857 15.999 > 61 67 O 0.09507195103722 0.54244451006655 0.30898361200857 15.999 > 67 68 O 0.59507195103722 0.54244451006655 0.30898361200857 15.999 > 67 69 O 0.09507195103722 0.54244451006655 0.64231694534190 15.999 > 67 70 O 0.59507195103722 0.54244451006655 0.64231694534190 15.999 > 67 71 O 0.09507195103722 0.54244451006655 0.97565027867524 15.999 > 67 72 O 0.59507195103722 0.54244451006655 0.97565027867524 15.999 > 67 73 O 0.09507195103722 0.45755548993345 0.14231694534190 15.999 > 73 74 O 0.59507195103722 0.45755548993345 0.14231694534190 15.999 > 73 75 O 0.09507195103722 0.45755548993345 0.47565027867524 15.999 > 73 76 O 0.59507195103722 0.45755548993345 0.47565027867524 15.999 > 73 77 O 0.09507195103722 0.45755548993345 0.80898361200857 15.999 > 73 78 O 0.59507195103722 0.45755548993345 0.80898361200857 15.999 > 73 79 O 0.15492804896278 0.04244451006655 0.30898361200857 15.999 > 79 80 O 0.65492804896278 0.04244451006655 0.30898361200857 15.999 > 79 81 O 0.15492804896278 0.04244451006655 0.64231694534190 15.999 > 79 82 O 0.65492804896278 0.04244451006655 0.64231694534190 15.999 > 79 83 O 0.15492804896278 0.04244451006655 0.97565027867524 15.999 > 79 84 O 0.65492804896278 0.04244451006655 0.97565027867524 15.999 > 79 85 O 0.34507195103722 0.04244451006655 0.19101638799143 15.999 > 85 86 O 0.84507195103722 0.04244451006655 0.19101638799143 15.999 > 85 87 O 0.34507195103722 0.04244451006655 0.52434972132476 15.999 > 85 88 O 0.84507195103722 0.04244451006655 0.52434972132476 15.999 > 85 89 O 0.34507195103722 0.04244451006655 0.85768305465810 15.999 > 85 90 O 0.84507195103722 0.04244451006655 0.85768305465810 15.999 > 85 91 O 0.40492804896278 0.45755548993345 0.02434972132476 15.999 > 91 92 O 0.90492804896278 0.45755548993345 0.02434972132476 15.999 > 91 93 O 0.40492804896278 0.45755548993345 0.35768305465810 15.999 > 91 94 O 0.90492804896278 0.45755548993345 0.35768305465810 15.999 > 91 95 O 0.40492804896278 0.45755548993345 0.69101638799143 15.999 > 91 96 O 0.90492804896278 0.45755548993345 0.69101638799143 15.999 > 91 97 Sr 0.25000000000000 0.66681646337890 0.25000000000000 87.620 > 97 98 Sr 0.75000000000000 0.66681646337890 0.25000000000000 87.620 > 97 99 Sr 0.25000000000000 0.66681646337890 0.58333333333333 87.620 > 97 100 Sr 0.75000000000000 0.66681646337890 0.58333333333333 87.620 > 97 101 Sr 0.25000000000000 0.66681646337890 0.91666666666667 87.620 > 97 102 Sr 0.75000000000000 0.66681646337890 0.91666666666667 87.620 > 97 103 Sr 0.00000000000000 0.83318353662110 0.08333333333333 87.620 > 103 104 Sr 0.50000000000000 0.83318353662110 0.08333333333333 87.620 > 103 105 Sr 0.00000000000000 0.83318353662110 0.41666666666667 87.620 > 103 106 Sr 0.50000000000000 0.83318353662110 0.41666666666667 87.620 > 103 107 Sr 0.00000000000000 0.83318353662110 0.75000000000000 87.620 > 103 108 Sr 0.50000000000000 0.83318353662110 0.75000000000000 87.620 > 103 109 Sr 0.25000000000000 0.33318353662110 0.08333333333333 87.620 > 109 110 Sr 0.75000000000000 0.33318353662110 0.08333333333333 87.620 > 109 111 Sr 0.25000000000000 0.33318353662110 0.41666666666667 87.620 > 109 112 Sr 0.75000000000000 0.33318353662110 0.41666666666667 87.620 > 109 113 Sr 0.25000000000000 0.33318353662110 0.75000000000000 87.620 > 109 114 Sr 0.75000000000000 0.33318353662110 0.75000000000000 87.620 > 109 115 Sr 0.00000000000000 0.16681646337890 0.25000000000000 87.620 > 115 116 Sr 0.50000000000000 0.16681646337890 0.25000000000000 87.620 > 115 117 Sr 0.00000000000000 0.16681646337890 0.58333333333333 87.620 > 115 118 Sr 0.50000000000000 0.16681646337890 0.58333333333333 87.620 > 115 119 Sr 0.00000000000000 0.16681646337890 0.91666666666667 87.620 > 115 120 Sr 0.50000000000000 0.16681646337890 0.91666666666667 87.620 > 115 121 Te 0.00000000000000 0.42983798287549 0.25000000000000 127.600 > 121 122 Te 0.50000000000000 0.42983798287549 0.25000000000000 127.600 > 121 123 Te 0.00000000000000 0.42983798287549 0.58333333333333 127.600 > 121 124 Te 0.50000000000000 0.42983798287549 0.58333333333333 127.600 > 121 125 Te 0.00000000000000 0.42983798287549 0.91666666666667 127.600 > 121 126 Te 0.50000000000000 0.42983798287549 0.91666666666667 127.600 > 121 127 Te 0.25000000000000 0.07016201712451 0.08333333333333 127.600 > 127 128 Te 0.75000000000000 0.07016201712451 0.08333333333333 127.600 > 127 129 Te 0.25000000000000 0.07016201712451 0.41666666666667 127.600 > 127 130 Te 0.75000000000000 0.07016201712451 0.41666666666667 127.600 > 127 131 Te 0.25000000000000 0.07016201712451 0.75000000000000 127.600 > 127 132 Te 0.75000000000000 0.07016201712451 0.75000000000000 127.600 > 127 133 Te 0.00000000000000 0.57016201712451 0.08333333333333 127.600 > 133 134 Te 0.50000000000000 0.57016201712451 0.08333333333333 127.600 > 133 135 Te 0.00000000000000 0.57016201712451 0.41666666666667 127.600 > 133 136 Te 0.50000000000000 0.57016201712451 0.41666666666667 127.600 > 133 137 Te 0.00000000000000 0.57016201712451 0.75000000000000 127.600 > 133 138 Te 0.50000000000000 0.57016201712451 0.75000000000000 127.600 > 133 139 Te 0.25000000000000 0.92983798287549 0.25000000000000 127.600 > 139 140 Te 0.75000000000000 0.92983798287549 0.25000000000000 127.600 > 139 141 Te 0.25000000000000 0.92983798287549 0.58333333333333 127.600 > 139 142 Te 0.75000000000000 0.92983798287549 0.58333333333333 127.600 > 139 143 Te 0.25000000000000 0.92983798287549 0.91666666666667 127.600 > 139 144 Te 0.75000000000000 0.92983798287549 0.91666666666667 127.600 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0885411 0.0000000 0.0000000 0.0000000 3.4715680 0.0000000 0.0000000 0.0000000 3.6307482 -------------------------- Born effective charges -------------------------- 1 O -1.6721651 0.3112303 -0.4620525 0.2658305 -1.9505162 0.1893807 -0.3828864 0.0182996 -1.6132274 2 O -1.6721651 0.3112303 0.4620525 0.2658305 -1.9505162 -0.1893807 0.3828864 -0.0182996 -1.6132274 3 O -1.6721651 -0.3112303 0.4620525 -0.2658305 -1.9505162 0.1893807 0.3828864 0.0182996 -1.6132274 4 O -1.6721651 -0.3112303 -0.4620525 -0.2658305 -1.9505162 -0.1893807 -0.3828864 -0.0182996 -1.6132274 5 O -1.6721651 0.3112303 -0.4620525 0.2658305 -1.9505162 0.1893807 -0.3828864 0.0182996 -1.6132274 6 O -1.6721651 0.3112303 0.4620525 0.2658305 -1.9505162 -0.1893807 0.3828864 -0.0182996 -1.6132274 7 O -1.6721651 -0.3112303 0.4620525 -0.2658305 -1.9505162 0.1893807 0.3828864 0.0182996 -1.6132274 8 O -1.6721651 -0.3112303 -0.4620525 -0.2658305 -1.9505162 -0.1893807 -0.3828864 -0.0182996 -1.6132274 9 O -1.4047765 0.2833787 0.2148030 0.2969322 -1.6959593 0.3835092 0.1385464 0.6029172 -2.3223607 10 O -1.4047765 0.2833787 -0.2148030 0.2969322 -1.6959593 -0.3835092 -0.1385464 -0.6029172 -2.3223607 11 O -1.4047765 -0.2833787 -0.2148030 -0.2969322 -1.6959593 0.3835092 -0.1385464 0.6029172 -2.3223607 12 O -1.4047765 -0.2833787 0.2148030 -0.2969322 -1.6959593 -0.3835092 0.1385464 -0.6029172 -2.3223607 13 O -1.4047765 0.2833787 0.2148030 0.2969322 -1.6959593 0.3835092 0.1385464 0.6029172 -2.3223607 14 O -1.4047765 0.2833787 -0.2148030 0.2969322 -1.6959593 -0.3835092 -0.1385464 -0.6029172 -2.3223607 15 O -1.4047765 -0.2833787 -0.2148030 -0.2969322 -1.6959593 0.3835092 -0.1385464 0.6029172 -2.3223607 16 O -1.4047765 -0.2833787 0.2148030 -0.2969322 -1.6959593 -0.3835092 0.1385464 -0.6029172 -2.3223607 17 Sr 2.7572528 0.0000000 0.2911117 0.0000000 2.7645529 0.0000000 0.1853144 0.0000000 2.3664961 18 Sr 2.7572528 0.0000000 -0.2911117 0.0000000 2.7645529 0.0000000 -0.1853144 0.0000000 2.3664961 19 Sr 2.7572528 0.0000000 0.2911117 0.0000000 2.7645529 0.0000000 0.1853144 0.0000000 2.3664961 20 Sr 2.7572528 0.0000000 -0.2911117 0.0000000 2.7645529 0.0000000 -0.1853144 0.0000000 2.3664961 21 Te 3.3966305 0.0000000 0.1169950 0.0000000 4.5283982 0.0000000 0.1723495 0.0000000 5.5046801 22 Te 3.3966305 0.0000000 -0.1169950 0.0000000 4.5283982 0.0000000 -0.1723495 0.0000000 5.5046801 23 Te 3.3966305 0.0000000 0.1169950 0.0000000 4.5283982 0.0000000 0.1723495 0.0000000 5.5046801 24 Te 3.3966305 0.0000000 -0.1169950 0.0000000 4.5283982 0.0000000 -0.1723495 0.0000000 5.5046801 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 4 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.481 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.867 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.467 ( 0.000 0.000 0.000) 0.000 8.319 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 9.059 ( 0.000 0.000 0.000) 0.000 10.013 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 11.061 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.410 ( 0.000 0.000 0.000) 0.000 12.526 ( 0.000 0.000 0.000) 0.000 13.120 ( 0.000 0.000 0.000) 0.000 14.889 ( 0.000 0.000 0.000) 0.000 14.910 ( 0.000 0.000 0.000) 0.000 15.405 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 15.956 ( 0.000 0.000 0.000) 0.000 16.167 ( 0.000 0.000 0.000) 0.000 16.807 ( 0.000 0.000 0.000) 0.000 16.976 ( 0.000 0.000 0.000) 0.000 17.008 ( 0.000 0.000 0.000) 0.000 18.390 ( 0.000 0.000 0.000) 0.000 18.964 ( 0.000 0.000 0.000) 0.000 19.024 ( 0.000 0.000 0.000) 0.000 19.281 ( 0.000 0.000 0.000) 0.000 19.654 ( 0.000 0.000 0.000) 0.000 19.655 ( 0.000 0.000 0.000) 0.000 20.966 ( 0.000 0.000 0.000) 0.000 21.026 ( 0.000 0.000 0.000) 0.000 21.304 ( 0.000 0.000 0.000) 0.000 21.336 ( 0.000 0.000 0.000) 0.000 22.028 ( 0.000 0.000 0.000) 0.000 22.898 ( 0.000 0.000 0.000) 0.000 23.015 ( 0.000 0.000 0.000) 0.000 23.062 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 21.757 0.000 0.000) 21.757 0.615 ( 29.926 0.000 0.000) 29.926 0.919 ( 44.168 0.000 0.000) 44.168 1.617 ( 19.882 0.000 0.000) 19.882 1.663 ( 4.824 0.000 0.000) 4.824 1.686 ( 10.463 0.000 0.000) 10.463 2.086 ( 13.055 0.000 0.000) 13.055 2.829 ( 0.279 0.000 0.000) 0.279 2.845 ( -9.935 0.000 0.000) 9.935 3.240 ( 5.197 0.000 0.000) 5.197 3.379 ( -5.915 0.000 0.000) 5.915 3.515 ( 1.830 0.000 0.000) 1.830 3.765 ( -0.596 0.000 0.000) 0.596 3.980 ( -4.737 0.000 0.000) 4.737 3.985 ( -2.749 0.000 0.000) 2.749 4.294 ( -5.791 0.000 0.000) 5.791 4.537 ( 4.963 0.000 0.000) 4.963 4.566 ( 5.212 0.000 0.000) 5.212 4.659 ( 7.796 0.000 0.000) 7.796 4.936 ( -0.866 0.000 0.000) 0.866 5.453 ( -4.742 0.000 0.000) 4.742 5.589 ( -0.463 0.000 0.000) 0.463 5.711 ( -1.562 0.000 0.000) 1.562 5.714 ( -0.522 0.000 0.000) 0.522 6.055 ( -8.594 0.000 0.000) 8.594 6.348 ( -5.810 0.000 0.000) 5.810 6.711 ( 1.873 0.000 0.000) 1.873 6.924 ( 1.300 0.000 0.000) 1.300 6.981 ( -3.170 0.000 0.000) 3.170 7.125 ( -0.014 0.000 0.000) 0.014 7.257 ( -1.229 0.000 0.000) 1.229 7.299 ( 2.339 0.000 0.000) 2.339 7.477 ( 1.043 0.000 0.000) 1.043 7.572 ( -1.769 0.000 0.000) 1.769 8.356 ( 3.485 0.000 0.000) 3.485 8.380 ( 3.022 0.000 0.000) 3.022 8.879 ( -0.950 0.000 0.000) 0.950 9.036 ( -2.232 0.000 0.000) 2.232 10.110 ( 4.715 0.000 0.000) 4.715 10.415 ( 0.329 0.000 0.000) 0.329 10.576 ( -1.047 0.000 0.000) 1.047 10.662 ( -1.941 0.000 0.000) 1.941 10.753 ( 2.521 0.000 0.000) 2.521 11.073 ( 1.031 0.000 0.000) 1.031 12.191 ( -0.416 0.000 0.000) 0.416 12.415 ( 0.502 0.000 0.000) 0.502 12.524 ( -0.248 0.000 0.000) 0.248 12.985 ( -12.593 0.000 0.000) 12.593 14.895 ( 0.524 0.000 0.000) 0.524 14.957 ( -0.174 0.000 0.000) 0.174 15.395 ( -0.966 0.000 0.000) 0.966 15.520 ( -6.834 0.000 0.000) 6.834 15.878 ( 1.085 0.000 0.000) 1.085 15.957 ( -0.082 0.000 0.000) 0.082 16.150 ( -1.404 0.000 0.000) 1.404 16.756 ( -5.054 0.000 0.000) 5.054 17.202 ( 16.762 0.000 0.000) 16.762 17.892 ( 2.500 0.000 0.000) 2.500 18.375 ( -1.452 0.000 0.000) 1.452 18.961 ( -0.322 0.000 0.000) 0.322 19.017 ( -0.734 0.000 0.000) 0.734 19.104 ( -14.664 0.000 0.000) 14.664 19.667 ( 1.210 0.000 0.000) 1.210 19.702 ( 2.881 0.000 0.000) 2.881 21.119 ( 8.452 0.000 0.000) 8.452 21.392 ( 8.624 0.000 0.000) 8.624 21.399 ( 6.235 0.000 0.000) 6.235 22.017 ( -1.054 0.000 0.000) 1.054 22.629 ( -2.007 0.000 0.000) 2.007 22.903 ( 0.222 0.000 0.000) 0.222 22.973 ( -3.958 0.000 0.000) 3.958 23.012 ( -4.949 0.000 0.000) 4.949 ======================= Grid point 2 (3/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 20.911 0.000 0.000) 20.911 1.173 ( 25.778 0.000 0.000) 25.778 1.669 ( 23.483 0.000 0.000) 23.483 1.842 ( 19.453 0.000 0.000) 19.453 1.952 ( 15.173 0.000 0.000) 15.173 2.091 ( 25.773 0.000 0.000) 25.773 2.364 ( 8.355 0.000 0.000) 8.355 2.667 ( -2.435 0.000 0.000) 2.435 2.827 ( -0.742 0.000 0.000) 0.742 3.230 ( -8.609 0.000 0.000) 8.609 3.320 ( 2.517 0.000 0.000) 2.517 3.568 ( 3.327 0.000 0.000) 3.327 3.737 ( -2.118 0.000 0.000) 2.118 3.877 ( -5.039 0.000 0.000) 5.039 3.902 ( -5.535 0.000 0.000) 5.535 4.185 ( -5.181 0.000 0.000) 5.181 4.660 ( 4.304 0.000 0.000) 4.304 4.678 ( 8.998 0.000 0.000) 8.998 4.845 ( 10.010 0.000 0.000) 10.010 4.914 ( -1.212 0.000 0.000) 1.212 5.335 ( -6.411 0.000 0.000) 6.411 5.566 ( -1.969 0.000 0.000) 1.969 5.683 ( -0.809 0.000 0.000) 0.809 5.698 ( -1.098 0.000 0.000) 1.098 5.849 ( -11.332 0.000 0.000) 11.332 6.188 ( -9.967 0.000 0.000) 9.967 6.748 ( 1.984 0.000 0.000) 1.984 6.907 ( -3.844 0.000 0.000) 3.844 6.944 ( 0.074 0.000 0.000) 0.074 7.125 ( 0.055 0.000 0.000) 0.055 7.225 ( -1.822 0.000 0.000) 1.822 7.337 ( 0.343 0.000 0.000) 0.343 7.501 ( 1.226 0.000 0.000) 1.226 7.525 ( -2.257 0.000 0.000) 2.257 8.445 ( 5.049 0.000 0.000) 5.049 8.459 ( 4.581 0.000 0.000) 4.581 8.856 ( -1.260 0.000 0.000) 1.260 8.979 ( -3.238 0.000 0.000) 3.238 10.230 ( 6.734 0.000 0.000) 6.734 10.425 ( 0.708 0.000 0.000) 0.708 10.551 ( -1.372 0.000 0.000) 1.372 10.613 ( -2.734 0.000 0.000) 2.734 10.820 ( 4.079 0.000 0.000) 4.079 11.093 ( 0.742 0.000 0.000) 0.742 12.179 ( -0.844 0.000 0.000) 0.844 12.429 ( 0.823 0.000 0.000) 0.823 12.516 ( -0.561 0.000 0.000) 0.561 12.682 ( -16.180 0.000 0.000) 16.180 14.907 ( 0.632 0.000 0.000) 0.632 14.952 ( -0.312 0.000 0.000) 0.312 15.369 ( -1.604 0.000 0.000) 1.604 15.394 ( -5.150 0.000 0.000) 5.150 15.902 ( 1.164 0.000 0.000) 1.164 15.939 ( -1.923 0.000 0.000) 1.923 16.136 ( 0.549 0.000 0.000) 0.549 16.618 ( -8.277 0.000 0.000) 8.277 17.564 ( 17.721 0.000 0.000) 17.721 17.958 ( 3.942 0.000 0.000) 3.942 18.339 ( -1.997 0.000 0.000) 1.997 18.793 ( -15.210 0.000 0.000) 15.210 18.951 ( -0.621 0.000 0.000) 0.621 18.996 ( -1.384 0.000 0.000) 1.384 19.696 ( 1.572 0.000 0.000) 1.572 19.743 ( 1.219 0.000 0.000) 1.219 21.318 ( 10.705 0.000 0.000) 10.705 21.576 ( 11.274 0.000 0.000) 11.274 21.628 ( 14.512 0.000 0.000) 14.512 21.984 ( -2.299 0.000 0.000) 2.299 22.581 ( -2.668 0.000 0.000) 2.668 22.873 ( -8.812 0.000 0.000) 8.812 22.876 ( -5.274 0.000 0.000) 5.274 22.894 ( -1.392 0.000 0.000) 1.392 ======================= Grid point 3 (4/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 18.771 0.000 0.000) 18.771 1.624 ( 19.117 0.000 0.000) 19.117 1.887 ( 6.912 0.000 0.000) 6.912 2.230 ( -14.045 0.000 0.000) 14.045 2.252 ( 14.196 0.000 0.000) 14.196 2.337 ( 20.134 0.000 0.000) 20.134 2.588 ( 23.238 0.000 0.000) 23.238 2.803 ( -1.153 0.000 0.000) 1.153 2.901 ( 17.445 0.000 0.000) 17.445 3.055 ( -8.537 0.000 0.000) 8.537 3.334 ( -1.152 0.000 0.000) 1.152 3.634 ( 1.998 0.000 0.000) 1.998 3.691 ( -1.967 0.000 0.000) 1.967 3.778 ( -5.553 0.000 0.000) 5.553 3.789 ( -3.824 0.000 0.000) 3.824 4.076 ( -6.128 0.000 0.000) 6.128 4.740 ( 3.763 0.000 0.000) 3.763 4.881 ( 10.620 0.000 0.000) 10.620 4.889 ( -1.343 0.000 0.000) 1.343 5.020 ( 6.630 0.000 0.000) 6.630 5.231 ( -3.067 0.000 0.000) 3.067 5.526 ( -1.311 0.000 0.000) 1.311 5.628 ( -10.515 0.000 0.000) 10.515 5.668 ( -2.078 0.000 0.000) 2.078 5.682 ( 0.677 0.000 0.000) 0.677 5.974 ( -10.764 0.000 0.000) 10.764 6.804 ( 4.047 0.000 0.000) 4.047 6.842 ( -2.467 0.000 0.000) 2.467 6.915 ( -2.826 0.000 0.000) 2.826 7.128 ( 0.326 0.000 0.000) 0.326 7.189 ( -1.710 0.000 0.000) 1.710 7.268 ( -7.031 0.000 0.000) 7.031 7.516 ( 1.085 0.000 0.000) 1.085 7.525 ( 1.189 0.000 0.000) 1.189 8.540 ( 4.232 0.000 0.000) 4.232 8.547 ( 3.943 0.000 0.000) 3.943 8.836 ( -0.647 0.000 0.000) 0.647 8.915 ( -3.075 0.000 0.000) 3.075 10.356 ( 5.415 0.000 0.000) 5.415 10.442 ( 0.857 0.000 0.000) 0.857 10.526 ( -1.045 0.000 0.000) 1.045 10.561 ( -2.354 0.000 0.000) 2.354 10.908 ( 4.601 0.000 0.000) 4.601 11.095 ( -0.708 0.000 0.000) 0.708 12.161 ( -0.774 0.000 0.000) 0.774 12.393 ( -12.022 0.000 0.000) 12.022 12.447 ( 0.919 0.000 0.000) 0.919 12.502 ( -0.837 0.000 0.000) 0.837 14.919 ( 0.534 0.000 0.000) 0.534 14.945 ( -0.391 0.000 0.000) 0.391 15.321 ( -2.312 0.000 0.000) 2.312 15.335 ( -1.680 0.000 0.000) 1.680 15.895 ( -1.960 0.000 0.000) 1.960 15.914 ( -0.162 0.000 0.000) 0.162 16.171 ( 2.623 0.000 0.000) 2.623 16.450 ( -7.964 0.000 0.000) 7.964 17.864 ( 11.959 0.000 0.000) 11.959 18.036 ( 3.444 0.000 0.000) 3.444 18.305 ( -1.106 0.000 0.000) 1.106 18.532 ( -10.651 0.000 0.000) 10.651 18.938 ( -0.677 0.000 0.000) 0.677 18.965 ( -1.606 0.000 0.000) 1.606 19.725 ( 1.247 0.000 0.000) 1.247 19.756 ( 0.248 0.000 0.000) 0.248 21.523 ( 9.638 0.000 0.000) 9.638 21.833 ( 14.175 0.000 0.000) 14.175 21.924 ( -3.815 0.000 0.000) 3.815 21.939 ( 15.977 0.000 0.000) 15.977 22.523 ( -3.296 0.000 0.000) 3.296 22.668 ( -11.664 0.000 0.000) 11.664 22.782 ( -3.819 0.000 0.000) 3.819 22.842 ( -3.701 0.000 0.000) 3.701 ======================= Grid point 4 (5/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 16.888 0.000 0.000) 16.888 1.910 ( 9.071 0.000 0.000) 9.071 1.928 ( -15.855 0.000 0.000) 15.855 1.979 ( 1.543 0.000 0.000) 1.543 2.483 ( 8.234 0.000 0.000) 8.234 2.555 ( 2.160 0.000 0.000) 2.160 2.811 ( 2.667 0.000 0.000) 2.667 2.906 ( -6.278 0.000 0.000) 6.278 2.983 ( 15.859 0.000 0.000) 15.859 3.171 ( 2.146 0.000 0.000) 2.146 3.314 ( 5.452 0.000 0.000) 5.452 3.528 ( -10.597 0.000 0.000) 10.597 3.680 ( 1.035 0.000 0.000) 1.035 3.723 ( -2.877 0.000 0.000) 2.877 3.802 ( 5.914 0.000 0.000) 5.914 3.940 ( -7.306 0.000 0.000) 7.306 4.808 ( 2.987 0.000 0.000) 2.987 4.857 ( -1.977 0.000 0.000) 1.977 5.044 ( 4.547 0.000 0.000) 4.547 5.086 ( 0.107 0.000 0.000) 0.107 5.263 ( 6.822 0.000 0.000) 6.822 5.435 ( -9.184 0.000 0.000) 9.184 5.536 ( 2.492 0.000 0.000) 2.492 5.609 ( -3.902 0.000 0.000) 3.902 5.710 ( 2.331 0.000 0.000) 2.331 5.793 ( -6.636 0.000 0.000) 6.636 6.818 ( 0.194 0.000 0.000) 0.194 6.850 ( -2.790 0.000 0.000) 2.790 6.921 ( 7.450 0.000 0.000) 7.450 7.095 ( -9.486 0.000 0.000) 9.486 7.139 ( 0.765 0.000 0.000) 0.765 7.159 ( -1.264 0.000 0.000) 1.264 7.539 ( 0.849 0.000 0.000) 0.849 7.543 ( 0.451 0.000 0.000) 0.451 8.601 ( 1.686 0.000 0.000) 1.686 8.603 ( 1.476 0.000 0.000) 1.476 8.835 ( 0.652 0.000 0.000) 0.652 8.862 ( -2.082 0.000 0.000) 2.082 10.433 ( 2.315 0.000 0.000) 2.315 10.453 ( 0.068 0.000 0.000) 0.068 10.513 ( -0.091 0.000 0.000) 0.091 10.525 ( -1.221 0.000 0.000) 1.221 10.996 ( 4.023 0.000 0.000) 4.023 11.062 ( -2.547 0.000 0.000) 2.547 12.159 ( 0.977 0.000 0.000) 0.977 12.219 ( -5.561 0.000 0.000) 5.561 12.465 ( 0.930 0.000 0.000) 0.930 12.484 ( -0.941 0.000 0.000) 0.941 14.928 ( 0.451 0.000 0.000) 0.451 14.937 ( -0.420 0.000 0.000) 0.420 15.297 ( -0.232 0.000 0.000) 0.232 15.307 ( -1.082 0.000 0.000) 1.082 15.876 ( 0.207 0.000 0.000) 0.207 15.896 ( -1.394 0.000 0.000) 1.394 16.233 ( 3.559 0.000 0.000) 3.559 16.318 ( -5.289 0.000 0.000) 5.289 18.034 ( 5.190 0.000 0.000) 5.190 18.078 ( 0.370 0.000 0.000) 0.370 18.306 ( 1.430 0.000 0.000) 1.430 18.372 ( -5.515 0.000 0.000) 5.515 18.929 ( -0.100 0.000 0.000) 0.100 18.937 ( -0.982 0.000 0.000) 0.982 19.745 ( 0.751 0.000 0.000) 0.751 19.755 ( -0.293 0.000 0.000) 0.293 21.696 ( 7.708 0.000 0.000) 7.708 21.829 ( -5.692 0.000 0.000) 5.692 22.126 ( 14.872 0.000 0.000) 14.872 22.234 ( 12.887 0.000 0.000) 12.887 22.414 ( -13.790 0.000 0.000) 13.790 22.431 ( -6.798 0.000 0.000) 6.798 22.736 ( -0.590 0.000 0.000) 0.590 22.765 ( -3.332 0.000 0.000) 3.332 ======================= Grid point 9 (6/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.224 ( 0.000 19.609 0.000) 19.609 0.508 ( 0.000 24.580 0.000) 24.580 1.034 ( 0.000 53.301 0.000) 53.301 1.252 ( 0.000 -24.261 0.000) 24.261 1.305 ( 0.000 -10.326 0.000) 10.326 1.728 ( 0.000 11.575 0.000) 11.575 2.061 ( 0.000 2.450 0.000) 2.450 2.805 ( 0.000 -33.824 0.000) 33.824 2.856 ( 0.000 5.638 0.000) 5.638 3.041 ( 0.000 5.627 0.000) 5.627 3.254 ( 0.000 -6.863 0.000) 6.863 3.329 ( 0.000 -11.683 0.000) 11.683 3.818 ( 0.000 5.036 0.000) 5.036 3.904 ( 0.000 6.726 0.000) 6.726 4.023 ( 0.000 -1.265 0.000) 1.265 4.086 ( 0.000 8.191 0.000) 8.191 4.135 ( 0.000 -11.930 0.000) 11.930 4.427 ( 0.000 -5.591 0.000) 5.591 4.987 ( 0.000 26.040 0.000) 26.040 5.522 ( 0.000 1.655 0.000) 1.655 5.612 ( 0.000 1.966 0.000) 1.966 5.687 ( 0.000 -3.738 0.000) 3.738 5.702 ( 0.000 -1.738 0.000) 1.738 5.745 ( 0.000 -9.389 0.000) 9.389 6.210 ( 0.000 5.568 0.000) 5.568 6.460 ( 0.000 -5.196 0.000) 5.196 6.711 ( 0.000 2.478 0.000) 2.478 6.838 ( 0.000 -2.847 0.000) 2.847 6.928 ( 0.000 1.794 0.000) 1.794 7.004 ( 0.000 -1.292 0.000) 1.292 7.143 ( 0.000 1.810 0.000) 1.810 7.243 ( 0.000 -2.502 0.000) 2.502 7.472 ( 0.000 0.398 0.000) 0.398 7.473 ( 0.000 0.520 0.000) 0.520 8.324 ( 0.000 0.447 0.000) 0.447 8.344 ( 0.000 -0.410 0.000) 0.410 8.915 ( 0.000 2.533 0.000) 2.533 9.035 ( 0.000 -2.431 0.000) 2.431 10.019 ( 0.000 0.621 0.000) 0.621 10.053 ( 0.000 -0.769 0.000) 0.769 10.602 ( 0.000 1.451 0.000) 1.451 10.669 ( 0.000 -1.319 0.000) 1.319 11.071 ( 0.000 1.022 0.000) 1.022 11.119 ( 0.000 -0.939 0.000) 0.939 12.220 ( 0.000 2.518 0.000) 2.518 12.368 ( 0.000 -3.888 0.000) 3.888 13.192 ( 0.000 6.904 0.000) 6.904 13.499 ( 0.000 -6.058 0.000) 6.058 14.892 ( 0.000 0.286 0.000) 0.286 14.907 ( 0.000 -0.325 0.000) 0.325 15.438 ( 0.000 3.208 0.000) 3.208 15.579 ( 0.000 -2.675 0.000) 2.675 15.879 ( 0.000 1.324 0.000) 1.324 15.943 ( 0.000 -1.300 0.000) 1.300 16.811 ( 0.000 0.430 0.000) 0.430 16.832 ( 0.000 -0.426 0.000) 0.426 16.980 ( 0.000 0.483 0.000) 0.483 17.003 ( 0.000 -0.468 0.000) 0.468 18.973 ( 0.000 0.846 0.000) 0.846 19.015 ( 0.000 -0.911 0.000) 0.911 19.287 ( 0.000 0.560 0.000) 0.560 19.312 ( 0.000 -0.479 0.000) 0.479 19.654 ( 0.000 0.021 0.000) 0.021 19.655 ( 0.000 -0.019 0.000) 0.019 20.974 ( 0.000 0.817 0.000) 0.817 21.016 ( 0.000 -0.920 0.000) 0.920 21.309 ( 0.000 0.529 0.000) 0.529 21.332 ( 0.000 -0.421 0.000) 0.421 22.909 ( 0.000 1.129 0.000) 1.129 22.982 ( 0.000 -2.372 0.000) 2.372 23.093 ( 0.000 2.147 0.000) 2.147 23.156 ( 0.000 -0.907 0.000) 0.907 ======================= Grid point 10 (7/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 20.306 11.392 0.000) 23.283 0.785 ( 22.013 14.495 0.000) 26.357 1.218 ( 19.965 25.779 0.000) 32.606 1.402 ( 13.380 -21.212 0.000) 25.079 1.490 ( 14.852 -3.674 0.000) 15.299 1.873 ( 14.785 15.476 0.000) 21.403 2.179 ( 11.160 -0.335 0.000) 11.165 2.653 ( -8.180 -13.700 0.000) 15.957 2.960 ( 3.228 2.499 0.000) 4.082 3.110 ( 6.684 -4.245 0.000) 7.918 3.282 ( -2.131 -6.460 0.000) 6.802 3.373 ( 4.498 -15.013 0.000) 15.672 3.733 ( -3.290 2.571 0.000) 4.175 3.948 ( -6.020 -3.883 0.000) 7.163 3.995 ( -0.890 0.771 0.000) 1.177 4.132 ( -1.041 -8.944 0.000) 9.005 4.257 ( 16.237 1.281 0.000) 16.288 4.476 ( 4.426 -4.612 0.000) 6.392 5.003 ( 1.700 21.859 0.000) 21.925 5.394 ( -14.297 7.146 0.000) 15.983 5.515 ( -8.224 5.715 0.000) 10.014 5.607 ( -1.145 1.399 0.000) 1.808 5.660 ( -1.915 -3.824 0.000) 4.277 5.709 ( -0.272 -0.683 0.000) 0.735 6.126 ( -7.512 6.331 0.000) 9.824 6.339 ( -7.569 -1.801 0.000) 7.780 6.730 ( 1.331 1.905 0.000) 2.324 6.894 ( -0.833 -7.528 0.000) 7.574 6.944 ( 1.464 2.116 0.000) 2.573 7.103 ( 3.592 -4.720 0.000) 5.931 7.177 ( 4.426 -2.949 0.000) 5.319 7.234 ( -0.832 -2.075 0.000) 2.235 7.484 ( 0.954 0.513 0.000) 1.083 7.504 ( 1.713 -1.654 0.000) 2.382 8.361 ( 3.560 0.534 0.000) 3.600 8.383 ( 3.443 -0.204 0.000) 3.449 8.899 ( -1.294 2.259 0.000) 2.604 9.013 ( -2.102 -2.314 0.000) 3.126 10.105 ( 4.925 -0.456 0.000) 4.946 10.149 ( 9.354 -6.478 0.000) 11.378 10.590 ( -1.153 1.326 0.000) 1.757 10.650 ( -1.792 -1.162 0.000) 2.136 11.050 ( -4.999 6.754 0.000) 8.403 11.081 ( 0.817 0.742 0.000) 1.103 12.203 ( -1.478 2.458 0.000) 2.868 12.366 ( -0.257 -4.470 0.000) 4.478 12.993 ( -26.871 20.226 0.000) 33.633 13.044 ( -13.432 5.206 0.000) 14.405 14.898 ( 0.554 0.354 0.000) 0.658 14.932 ( 1.053 -1.648 0.000) 1.955 15.381 ( -2.992 1.028 0.000) 3.164 15.494 ( -6.626 -2.546 0.000) 7.098 15.891 ( 1.092 1.324 0.000) 1.716 15.952 ( 0.771 -1.084 0.000) 1.330 16.409 ( -12.522 16.520 0.000) 20.730 16.730 ( -6.297 -2.863 0.000) 6.917 17.225 ( 17.652 2.612 0.000) 17.844 17.531 ( 20.835 -17.179 0.000) 27.004 18.806 ( -23.589 20.191 0.000) 31.050 18.969 ( -0.462 0.761 0.000) 0.890 19.008 ( -0.750 -0.896 0.000) 1.169 19.094 ( -15.665 -1.346 0.000) 15.722 19.676 ( 1.249 0.775 0.000) 1.470 19.699 ( 2.616 -0.304 0.000) 2.634 21.134 ( 10.150 1.808 0.000) 10.310 21.383 ( 7.606 -3.545 0.000) 8.391 21.395 ( 8.506 0.328 0.000) 8.513 21.509 ( 23.179 -21.029 0.000) 31.296 22.879 ( -6.428 4.392 0.000) 7.785 22.951 ( -8.551 6.555 0.000) 10.774 22.952 ( -3.009 -1.683 0.000) 3.447 23.025 ( -6.348 0.745 0.000) 6.391 ======================= Grid point 11 (8/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 14.251 9.510 0.000) 17.133 1.234 ( 21.326 5.068 0.000) 21.920 1.631 ( 15.960 -4.557 0.000) 16.598 1.698 ( 14.297 -18.230 0.000) 23.167 1.875 ( 24.881 6.427 0.000) 25.697 2.278 ( 23.529 16.220 0.000) 28.578 2.425 ( 6.917 -16.048 0.000) 17.475 2.560 ( 5.003 10.446 0.000) 11.582 2.983 ( -0.282 8.771 0.000) 8.776 3.196 ( -6.083 -2.789 0.000) 6.692 3.248 ( 5.916 -5.917 0.000) 8.367 3.455 ( 4.102 -12.111 0.000) 12.787 3.679 ( -2.405 -1.408 0.000) 2.787 3.827 ( -5.524 -5.218 0.000) 7.599 3.926 ( -5.442 2.104 0.000) 5.834 4.084 ( -3.705 -7.344 0.000) 8.225 4.561 ( 13.904 -2.735 0.000) 14.170 4.591 ( 6.944 -2.615 0.000) 7.421 5.053 ( 3.105 13.612 0.000) 13.961 5.166 ( -7.651 11.359 0.000) 13.696 5.371 ( -7.137 3.620 0.000) 8.002 5.538 ( -5.099 -3.966 0.000) 6.460 5.648 ( 0.336 -0.004 0.000) 0.336 5.701 ( -0.653 0.050 0.000) 0.655 5.947 ( -9.751 7.511 0.000) 12.309 6.163 ( -10.143 -2.574 0.000) 10.465 6.753 ( 1.183 0.545 0.000) 1.302 6.853 ( -2.566 -4.753 0.000) 5.401 6.967 ( 0.175 2.692 0.000) 2.698 7.124 ( 0.110 -0.618 0.000) 0.628 7.211 ( -1.399 -1.282 0.000) 1.898 7.246 ( 1.090 -7.077 0.000) 7.161 7.504 ( 1.036 0.284 0.000) 1.074 7.513 ( -0.286 -0.509 0.000) 0.584 8.451 ( 5.078 0.622 0.000) 5.116 8.467 ( 4.628 0.336 0.000) 4.640 8.871 ( -1.463 1.645 0.000) 2.202 8.960 ( -2.933 -1.881 0.000) 3.485 10.228 ( 6.812 -0.065 0.000) 6.813 10.308 ( 6.288 -6.316 0.000) 8.912 10.561 ( -1.578 1.017 0.000) 1.877 10.605 ( -2.521 -0.798 0.000) 2.644 10.980 ( -1.602 9.128 0.000) 9.267 11.096 ( 0.473 0.109 0.000) 0.485 12.172 ( -1.411 1.094 0.000) 1.786 12.351 ( -1.603 -6.285 0.000) 6.486 12.666 ( -8.938 10.538 0.000) 13.818 12.745 ( -14.401 4.429 0.000) 15.066 14.910 ( 0.594 0.366 0.000) 0.698 14.941 ( 0.083 -1.006 0.000) 1.009 15.339 ( -1.577 -1.482 0.000) 2.164 15.376 ( -4.674 -1.712 0.000) 4.978 15.916 ( 1.201 1.345 0.000) 1.803 15.962 ( -0.130 0.372 0.000) 0.394 16.249 ( -4.914 10.677 0.000) 11.754 16.579 ( -8.513 -4.238 0.000) 9.509 17.588 ( 17.170 2.636 0.000) 17.371 17.822 ( 10.405 -9.544 0.000) 14.119 18.501 ( -9.491 11.712 0.000) 15.075 18.772 ( -15.158 -2.435 0.000) 15.353 18.956 ( -0.786 0.477 0.000) 0.920 18.987 ( -1.328 -0.812 0.000) 1.556 19.703 ( 1.420 0.707 0.000) 1.586 19.736 ( 1.179 -0.636 0.000) 1.339 21.354 ( 11.094 3.895 0.000) 11.758 21.564 ( 11.056 -1.838 0.000) 11.208 21.630 ( 14.254 0.211 0.000) 14.256 21.798 ( 7.650 -13.256 0.000) 15.305 22.692 ( -8.032 7.538 0.000) 11.016 22.855 ( -8.246 -1.714 0.000) 8.422 22.881 ( -5.703 0.313 0.000) 5.711 22.892 ( -2.237 -0.176 0.000) 2.244 ======================= Grid point 12 (9/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 12.172 -0.903 0.000) 12.206 1.563 ( 9.550 -8.634 0.000) 12.875 1.887 ( 10.922 -0.993 0.000) 10.967 1.921 ( 8.678 -11.427 0.000) 14.349 2.349 ( 19.923 1.766 0.000) 20.001 2.464 ( 3.782 2.124 0.000) 4.337 2.715 ( 18.367 11.198 0.000) 21.511 2.796 ( 7.713 4.945 0.000) 9.162 3.005 ( 6.461 6.478 0.000) 9.149 3.062 ( -6.381 0.775 0.000) 6.428 3.324 ( 1.629 -0.746 0.000) 1.792 3.538 ( 3.660 -9.976 0.000) 10.626 3.646 ( -0.191 -2.029 0.000) 2.038 3.735 ( -3.874 -5.151 0.000) 6.445 3.788 ( -7.949 1.562 0.000) 8.101 3.989 ( -5.702 -7.640 0.000) 9.533 4.738 ( 7.383 1.028 0.000) 7.454 4.817 ( 11.599 -1.820 0.000) 11.741 5.065 ( -3.441 9.761 0.000) 10.350 5.110 ( 1.966 6.411 0.000) 6.705 5.255 ( -3.337 2.639 0.000) 4.255 5.442 ( -3.710 -6.116 0.000) 7.153 5.651 ( -1.015 1.710 0.000) 1.988 5.679 ( -1.745 0.839 0.000) 1.936 5.766 ( -7.263 6.410 0.000) 9.687 5.950 ( -10.610 -2.489 0.000) 10.898 6.791 ( 2.888 -1.311 0.000) 3.171 6.809 ( -1.475 -2.701 0.000) 3.077 6.938 ( -2.957 2.797 0.000) 4.070 7.119 ( -0.853 -1.723 0.000) 1.922 7.183 ( -1.372 -0.615 0.000) 1.504 7.206 ( -4.591 -4.776 0.000) 6.625 7.519 ( 0.988 0.321 0.000) 1.039 7.526 ( 1.095 0.018 0.000) 1.096 8.547 ( 4.192 0.574 0.000) 4.232 8.554 ( 3.867 0.465 0.000) 3.894 8.846 ( -0.863 1.132 0.000) 1.424 8.903 ( -2.639 -1.140 0.000) 2.874 10.353 ( 5.303 -0.116 0.000) 5.304 10.401 ( 3.184 -2.971 0.000) 4.355 10.533 ( -1.189 0.662 0.000) 1.361 10.558 ( -2.129 -0.365 0.000) 2.160 10.982 ( 1.505 5.770 0.000) 5.964 11.094 ( -0.682 -0.272 0.000) 0.734 12.149 ( -0.859 -0.195 0.000) 0.881 12.283 ( -5.236 -6.511 0.000) 8.355 12.541 ( -5.472 4.792 0.000) 7.274 12.552 ( -3.548 3.770 0.000) 5.177 14.920 ( 0.442 0.227 0.000) 0.497 14.939 ( -0.201 -0.539 0.000) 0.576 15.311 ( -1.984 -0.835 0.000) 2.152 15.313 ( -1.082 -1.549 0.000) 1.889 15.929 ( -0.064 1.405 0.000) 1.406 15.938 ( -2.001 2.769 0.000) 3.416 16.204 ( 0.070 3.905 0.000) 3.905 16.414 ( -7.471 -3.811 0.000) 8.387 17.874 ( 11.209 1.134 0.000) 11.266 17.982 ( 5.953 -4.190 0.000) 7.279 18.373 ( -4.044 5.475 0.000) 6.807 18.520 ( -9.957 -1.465 0.000) 10.064 18.939 ( -0.832 0.168 0.000) 0.848 18.958 ( -1.490 -0.618 0.000) 1.613 19.729 ( 1.081 0.396 0.000) 1.151 19.751 ( 0.368 -0.505 0.000) 0.625 21.559 ( 9.362 3.813 0.000) 10.109 21.799 ( 10.345 -5.334 0.000) 11.639 21.885 ( 3.716 -1.061 0.000) 3.864 21.926 ( 14.698 -1.289 0.000) 14.754 22.566 ( -5.188 3.547 0.000) 6.285 22.662 ( -10.459 -0.836 0.000) 10.493 22.787 ( -3.980 0.593 0.000) 4.024 22.831 ( -3.840 -1.093 0.000) 3.993 ======================= Grid point 13 (10/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 9.744 -11.193 0.000) 14.840 1.586 ( -5.211 -17.814 0.000) 18.561 2.060 ( 5.556 3.552 0.000) 6.594 2.070 ( 4.783 2.560 0.000) 5.425 2.573 ( 5.379 6.223 0.000) 8.225 2.602 ( 4.727 3.738 0.000) 6.027 2.823 ( -0.072 1.514 0.000) 1.516 2.860 ( -3.078 -1.793 0.000) 3.563 3.091 ( 9.481 8.335 0.000) 12.624 3.197 ( 3.693 2.797 0.000) 4.633 3.352 ( 5.720 3.759 0.000) 6.844 3.543 ( -7.432 -1.106 0.000) 7.514 3.619 ( -0.436 -1.961 0.000) 2.009 3.665 ( -3.229 -4.767 0.000) 5.758 3.736 ( 5.019 -6.387 0.000) 8.124 3.863 ( -6.808 -7.503 0.000) 10.132 4.871 ( 5.815 5.228 0.000) 7.819 4.961 ( -1.401 8.024 0.000) 8.145 5.026 ( 3.171 -1.541 0.000) 3.526 5.103 ( -2.779 1.244 0.000) 3.044 5.286 ( 6.136 2.360 0.000) 6.574 5.398 ( -2.532 -2.809 0.000) 3.782 5.578 ( -2.747 3.083 0.000) 4.129 5.620 ( -4.275 0.791 0.000) 4.347 5.719 ( 1.095 0.948 0.000) 1.449 5.779 ( -5.613 -1.400 0.000) 5.785 6.804 ( 1.060 -0.936 0.000) 1.414 6.843 ( -1.208 -1.250 0.000) 1.738 6.904 ( 3.802 -0.437 0.000) 3.827 7.036 ( -7.317 -4.930 0.000) 8.823 7.150 ( -0.235 0.470 0.000) 0.526 7.160 ( -0.896 -0.049 0.000) 0.898 7.540 ( 0.744 0.087 0.000) 0.749 7.543 ( 0.457 -0.026 0.000) 0.458 8.607 ( 1.643 0.450 0.000) 1.703 8.609 ( 1.420 0.414 0.000) 1.479 8.840 ( 0.334 0.553 0.000) 0.646 8.860 ( -1.628 -0.241 0.000) 1.646 10.428 ( 2.103 -0.437 0.000) 2.148 10.440 ( 0.748 -1.075 0.000) 1.310 10.518 ( -0.239 0.369 0.000) 0.439 10.525 ( -1.026 0.044 0.000) 1.027 11.025 ( 2.441 2.463 0.000) 3.468 11.069 ( -1.840 0.416 0.000) 1.886 12.144 ( 0.603 -0.988 0.000) 1.158 12.185 ( -3.706 -2.771 0.000) 4.628 12.493 ( -0.409 2.162 0.000) 2.200 12.505 ( -1.444 1.594 0.000) 2.151 14.928 ( 0.338 0.014 0.000) 0.338 14.934 ( -0.287 -0.233 0.000) 0.370 15.291 ( -0.263 -0.502 0.000) 0.567 15.295 ( -0.618 -0.864 0.000) 1.063 15.908 ( -0.598 2.560 0.000) 2.628 15.915 ( -1.007 1.669 0.000) 1.949 16.231 ( 2.365 0.144 0.000) 2.369 16.296 ( -4.361 -2.119 0.000) 4.849 18.030 ( 4.504 -0.245 0.000) 4.511 18.058 ( 1.441 -1.643 0.000) 2.185 18.332 ( -0.007 2.216 0.000) 2.216 18.376 ( -4.578 0.175 0.000) 4.581 18.927 ( -0.231 -0.108 0.000) 0.255 18.933 ( -0.852 -0.362 0.000) 0.925 19.745 ( 0.597 0.079 0.000) 0.602 19.753 ( -0.144 -0.222 0.000) 0.265 21.721 ( 6.776 2.515 0.000) 7.228 21.824 ( -3.382 -0.931 0.000) 3.508 22.091 ( 11.766 -2.202 0.000) 11.970 22.170 ( 7.449 -4.920 0.000) 8.927 22.461 ( -7.982 3.176 0.000) 8.591 22.465 ( -5.136 2.589 0.000) 5.751 22.735 ( -0.959 -0.032 0.000) 0.959 22.756 ( -3.004 -0.816 0.000) 3.113 ======================= Grid point 18 (11/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.000 -20.755 0.000) 20.755 0.656 ( 0.000 20.755 0.000) 20.755 1.037 ( 0.000 -14.021 0.000) 14.021 1.037 ( 0.000 14.021 0.000) 14.021 1.963 ( 0.000 -10.877 0.000) 10.877 1.963 ( 0.000 10.877 0.000) 10.877 2.005 ( 0.000 -47.915 0.000) 47.915 2.005 ( 0.000 47.915 0.000) 47.915 3.047 ( 0.000 -12.637 0.000) 12.637 3.047 ( 0.000 12.637 0.000) 12.637 3.161 ( 0.000 -6.915 0.000) 6.915 3.161 ( 0.000 6.915 0.000) 6.915 3.948 ( 0.000 -8.333 0.000) 8.333 3.948 ( 0.000 8.333 0.000) 8.333 3.986 ( 0.000 -2.739 0.000) 2.739 3.986 ( 0.000 2.739 0.000) 2.739 4.276 ( 0.000 -9.912 0.000) 9.912 4.276 ( 0.000 9.912 0.000) 9.912 5.424 ( 0.000 -17.878 0.000) 17.878 5.424 ( 0.000 17.878 0.000) 17.878 5.618 ( 0.000 -2.056 0.000) 2.056 5.618 ( 0.000 2.056 0.000) 2.056 5.659 ( 0.000 -2.619 0.000) 2.619 5.659 ( 0.000 2.619 0.000) 2.619 6.336 ( 0.000 -7.160 0.000) 7.160 6.336 ( 0.000 7.160 0.000) 7.160 6.772 ( 0.000 -3.698 0.000) 3.698 6.772 ( 0.000 3.698 0.000) 3.698 6.969 ( 0.000 -2.215 0.000) 2.215 6.969 ( 0.000 2.215 0.000) 2.215 7.189 ( 0.000 -2.836 0.000) 2.836 7.189 ( 0.000 2.836 0.000) 2.836 7.478 ( 0.000 -0.065 0.000) 0.065 7.478 ( 0.000 0.065 0.000) 0.065 8.334 ( 0.000 -0.609 0.000) 0.609 8.334 ( 0.000 0.609 0.000) 0.609 8.976 ( 0.000 -3.502 0.000) 3.502 8.976 ( 0.000 3.502 0.000) 3.502 10.035 ( 0.000 -0.985 0.000) 0.985 10.035 ( 0.000 0.985 0.000) 0.985 10.637 ( 0.000 -1.957 0.000) 1.957 10.637 ( 0.000 1.957 0.000) 1.957 11.096 ( 0.000 -1.383 0.000) 1.383 11.096 ( 0.000 1.383 0.000) 1.383 12.286 ( 0.000 -4.236 0.000) 4.236 12.286 ( 0.000 4.236 0.000) 4.236 13.350 ( 0.000 -8.822 0.000) 8.822 13.350 ( 0.000 8.822 0.000) 8.822 14.899 ( 0.000 -0.434 0.000) 0.434 14.899 ( 0.000 0.434 0.000) 0.434 15.512 ( 0.000 -4.109 0.000) 4.109 15.512 ( 0.000 4.109 0.000) 4.109 15.911 ( 0.000 -1.853 0.000) 1.853 15.911 ( 0.000 1.853 0.000) 1.853 16.822 ( 0.000 -0.605 0.000) 0.605 16.822 ( 0.000 0.605 0.000) 0.605 16.992 ( 0.000 -0.672 0.000) 0.672 16.992 ( 0.000 0.672 0.000) 0.672 18.993 ( 0.000 -1.234 0.000) 1.234 18.993 ( 0.000 1.234 0.000) 1.234 19.300 ( 0.000 -0.726 0.000) 0.726 19.300 ( 0.000 0.726 0.000) 0.726 19.655 ( 0.000 -0.028 0.000) 0.028 19.655 ( 0.000 0.028 0.000) 0.028 20.995 ( 0.000 -1.217 0.000) 1.217 20.995 ( 0.000 1.217 0.000) 1.217 21.321 ( 0.000 -0.661 0.000) 0.661 21.321 ( 0.000 0.661 0.000) 0.661 22.940 ( 0.000 -2.012 0.000) 2.012 22.940 ( 0.000 2.012 0.000) 2.012 23.130 ( 0.000 -1.696 0.000) 1.696 23.130 ( 0.000 1.696 0.000) 1.696 ======================= Grid point 20 (12/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 17.806 -12.968 0.000) 22.028 0.886 ( 17.806 12.968 0.000) 22.028 1.196 ( 14.153 -4.342 0.000) 14.804 1.196 ( 14.153 4.342 0.000) 14.804 1.927 ( 2.956 -25.276 0.000) 25.448 1.927 ( 2.956 25.276 0.000) 25.448 2.231 ( 15.782 -20.143 0.000) 25.589 2.231 ( 15.782 20.143 0.000) 25.589 3.093 ( 3.893 -12.148 0.000) 12.757 3.093 ( 3.893 12.148 0.000) 12.757 3.171 ( 0.782 -3.252 0.000) 3.344 3.171 ( 0.782 3.252 0.000) 3.344 3.834 ( -6.595 -5.690 0.000) 8.710 3.834 ( -6.595 5.690 0.000) 8.710 4.029 ( -0.004 -2.909 0.000) 2.909 4.029 ( -0.004 2.909 0.000) 2.909 4.366 ( 8.135 -6.155 0.000) 10.201 4.366 ( 8.135 6.155 0.000) 10.201 5.345 ( -6.312 -11.804 0.000) 13.386 5.345 ( -6.312 11.804 0.000) 13.386 5.568 ( -4.718 -2.785 0.000) 5.479 5.568 ( -4.718 2.785 0.000) 5.479 5.670 ( 0.760 -2.951 0.000) 3.047 5.670 ( 0.760 2.951 0.000) 3.047 6.257 ( -7.098 -5.971 0.000) 9.275 6.257 ( -7.098 5.971 0.000) 9.275 6.783 ( 0.264 -1.109 0.000) 1.140 6.783 ( 0.264 1.109 0.000) 1.140 7.005 ( 3.028 -2.175 0.000) 3.728 7.005 ( 3.028 2.175 0.000) 3.728 7.191 ( 0.097 -0.681 0.000) 0.688 7.191 ( 0.097 0.681 0.000) 0.688 7.492 ( 1.059 -0.010 0.000) 1.060 7.492 ( 1.059 0.010 0.000) 1.060 8.374 ( 3.664 -0.621 0.000) 3.716 8.374 ( 3.664 0.621 0.000) 3.716 8.956 ( -1.775 -3.166 0.000) 3.629 8.956 ( -1.775 3.166 0.000) 3.629 10.101 ( 5.960 -0.011 0.000) 5.960 10.101 ( 5.960 0.011 0.000) 5.960 10.621 ( -1.457 -0.760 0.000) 1.643 10.621 ( -1.457 0.760 0.000) 1.643 11.093 ( -0.343 -0.001 0.000) 0.343 11.093 ( -0.343 0.001 0.000) 0.343 12.274 ( -1.259 -4.658 0.000) 4.825 12.274 ( -1.259 4.658 0.000) 4.825 13.128 ( -18.269 -1.668 0.000) 18.345 13.128 ( -18.269 1.668 0.000) 18.345 14.909 ( 0.757 -0.155 0.000) 0.773 14.909 ( 0.757 0.155 0.000) 0.773 15.433 ( -5.707 -1.448 0.000) 5.888 15.433 ( -5.707 1.448 0.000) 5.888 15.923 ( 1.054 -1.223 0.000) 1.615 15.923 ( 1.054 1.223 0.000) 1.615 16.634 ( -9.886 -6.831 0.000) 12.016 16.634 ( -9.886 6.831 0.000) 12.016 17.313 ( 20.040 -1.720 0.000) 20.114 17.313 ( 20.040 1.720 0.000) 20.114 18.987 ( -0.630 -0.836 0.000) 1.047 18.987 ( -0.630 0.836 0.000) 1.047 19.033 ( -19.524 -3.551 0.000) 19.844 19.033 ( -19.524 3.551 0.000) 19.844 19.690 ( 1.895 -0.105 0.000) 1.898 19.690 ( 1.895 0.105 0.000) 1.898 21.208 ( 15.456 -6.925 0.000) 16.936 21.208 ( 15.456 6.925 0.000) 16.936 21.404 ( 8.700 -0.117 0.000) 8.701 21.404 ( 8.700 0.117 0.000) 8.701 22.919 ( -2.262 -1.064 0.000) 2.500 22.919 ( -2.262 1.064 0.000) 2.500 23.024 ( -8.903 -0.192 0.000) 8.905 23.024 ( -8.903 0.192 0.000) 8.905 ======================= Grid point 22 (13/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 10.786 -12.868 0.000) 16.791 1.190 ( 10.786 12.868 0.000) 16.791 1.522 ( 17.391 -0.678 0.000) 17.404 1.522 ( 17.391 0.678 0.000) 17.404 2.104 ( 14.074 -15.975 0.000) 21.291 2.104 ( 14.074 15.975 0.000) 21.291 2.575 ( 17.728 -6.918 0.000) 19.030 2.575 ( 17.728 6.918 0.000) 19.030 3.127 ( -1.845 -2.963 0.000) 3.490 3.127 ( -1.845 2.963 0.000) 3.490 3.230 ( 5.922 -5.605 0.000) 8.154 3.230 ( 5.922 5.605 0.000) 8.154 3.716 ( -4.991 -3.153 0.000) 5.904 3.716 ( -4.991 3.153 0.000) 5.904 3.980 ( -4.703 -2.197 0.000) 5.191 3.980 ( -4.703 2.197 0.000) 5.191 4.560 ( 10.788 -0.970 0.000) 10.832 4.560 ( 10.788 0.970 0.000) 10.832 5.233 ( -4.225 -3.651 0.000) 5.584 5.233 ( -4.225 3.651 0.000) 5.584 5.448 ( -6.813 -4.383 0.000) 8.101 5.448 ( -6.813 4.383 0.000) 8.101 5.682 ( 0.409 -1.835 0.000) 1.881 5.682 ( 0.409 1.835 0.000) 1.881 6.083 ( -9.932 -5.909 0.000) 11.557 6.083 ( -9.932 5.909 0.000) 11.557 6.777 ( -0.549 -0.559 0.000) 0.783 6.777 ( -0.549 0.559 0.000) 0.783 7.052 ( 0.865 -2.973 0.000) 3.096 7.052 ( 0.865 2.973 0.000) 3.096 7.188 ( -0.506 -0.070 0.000) 0.511 7.188 ( -0.506 0.070 0.000) 0.511 7.509 ( 0.660 -0.003 0.000) 0.660 7.509 ( 0.660 0.003 0.000) 0.660 8.464 ( 4.984 -0.353 0.000) 4.997 8.464 ( 4.984 0.353 0.000) 4.997 8.915 ( -2.196 -2.375 0.000) 3.234 8.915 ( -2.196 2.375 0.000) 3.234 10.238 ( 7.073 -0.160 0.000) 7.075 10.238 ( 7.073 0.160 0.000) 7.075 10.585 ( -2.032 -0.309 0.000) 2.056 10.585 ( -2.032 0.309 0.000) 2.056 11.082 ( -0.694 -0.573 0.000) 0.900 11.082 ( -0.694 0.573 0.000) 0.900 12.236 ( -2.512 -5.144 0.000) 5.724 12.236 ( -2.512 5.144 0.000) 5.724 12.786 ( -13.903 -1.218 0.000) 13.956 12.786 ( -13.903 1.218 0.000) 13.956 14.922 ( 0.479 -0.167 0.000) 0.507 14.922 ( 0.479 0.167 0.000) 0.507 15.341 ( -3.234 -0.385 0.000) 3.256 15.341 ( -3.234 0.385 0.000) 3.256 15.946 ( 1.089 -0.577 0.000) 1.232 15.946 ( 1.089 0.577 0.000) 1.232 16.452 ( -8.470 -9.052 0.000) 12.397 16.452 ( -8.470 9.052 0.000) 12.397 17.670 ( 15.190 -1.488 0.000) 15.262 17.670 ( 15.190 1.488 0.000) 15.262 18.686 ( -14.295 -6.127 0.000) 15.553 18.686 ( -14.295 6.127 0.000) 15.553 18.969 ( -1.104 -0.383 0.000) 1.168 18.969 ( -1.104 0.383 0.000) 1.168 19.720 ( 1.201 -0.245 0.000) 1.226 19.720 ( 1.201 0.245 0.000) 1.226 21.467 ( 11.090 -5.648 0.000) 12.445 21.467 ( 11.090 5.648 0.000) 12.445 21.647 ( 13.558 -0.738 0.000) 13.579 21.647 ( 13.558 0.738 0.000) 13.579 22.803 ( -9.197 -1.474 0.000) 9.314 22.803 ( -9.197 1.474 0.000) 9.314 22.887 ( -4.102 -0.045 0.000) 4.103 22.887 ( -4.102 0.045 0.000) 4.103 ======================= Grid point 24 (14/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 3.108 -11.679 0.000) 12.085 1.318 ( 3.108 11.679 0.000) 12.085 1.854 ( 15.164 -0.099 0.000) 15.164 1.854 ( 15.164 0.099 0.000) 15.164 2.410 ( 14.622 -3.828 0.000) 15.115 2.410 ( 14.622 3.828 0.000) 15.115 2.875 ( 8.856 -0.212 0.000) 8.859 2.875 ( 8.856 0.212 0.000) 8.859 3.078 ( 0.540 -0.003 0.000) 0.540 3.078 ( 0.540 0.003 0.000) 0.540 3.358 ( 6.005 -4.653 0.000) 7.597 3.358 ( 6.005 4.653 0.000) 7.597 3.642 ( -2.352 -1.307 0.000) 2.691 3.642 ( -2.352 1.307 0.000) 2.691 3.854 ( -7.549 -2.774 0.000) 8.042 3.854 ( -7.549 2.774 0.000) 8.042 4.778 ( 10.663 -2.391 0.000) 10.928 4.778 ( 10.663 2.391 0.000) 10.928 5.174 ( -2.561 -0.154 0.000) 2.566 5.174 ( -2.561 0.154 0.000) 2.566 5.331 ( -3.574 -4.090 0.000) 5.431 5.331 ( -3.574 4.090 0.000) 5.431 5.681 ( -0.806 -0.195 0.000) 0.829 5.681 ( -0.806 0.195 0.000) 0.829 5.879 ( -9.861 -4.453 0.000) 10.820 5.879 ( -9.861 4.453 0.000) 10.820 6.775 ( 0.624 -0.016 0.000) 0.625 6.775 ( 0.624 0.016 0.000) 0.625 7.027 ( -3.296 -4.213 0.000) 5.349 7.027 ( -3.296 4.213 0.000) 5.349 7.171 ( -1.011 -0.033 0.000) 1.011 7.171 ( -1.011 0.033 0.000) 1.011 7.524 ( 0.982 -0.005 0.000) 0.982 7.524 ( 0.982 0.005 0.000) 0.982 8.557 ( 4.011 -0.112 0.000) 4.012 8.557 ( 4.011 0.112 0.000) 4.012 8.875 ( -1.654 -1.462 0.000) 2.207 8.875 ( -1.654 1.462 0.000) 2.207 10.360 ( 4.854 -0.108 0.000) 4.855 10.360 ( 4.854 0.108 0.000) 4.855 10.547 ( -1.627 -0.120 0.000) 1.631 10.547 ( -1.627 0.120 0.000) 1.631 11.069 ( -0.482 -1.428 0.000) 1.507 11.069 ( -0.482 1.428 0.000) 1.507 12.181 ( -2.631 -3.730 0.000) 4.565 12.181 ( -2.631 3.730 0.000) 4.565 12.592 ( -6.076 -0.095 0.000) 6.077 12.592 ( -6.076 0.095 0.000) 6.077 14.928 ( 0.176 -0.103 0.000) 0.204 14.928 ( 0.176 0.103 0.000) 0.204 15.299 ( -1.240 -0.012 0.000) 1.240 15.299 ( -1.240 0.012 0.000) 1.240 15.955 ( -0.403 -0.121 0.000) 0.421 15.955 ( -0.403 0.121 0.000) 0.421 16.312 ( -5.148 -6.384 0.000) 8.202 16.312 ( -5.148 6.384 0.000) 8.202 17.911 ( 9.117 -0.543 0.000) 9.134 17.911 ( 9.117 0.543 0.000) 9.134 18.469 ( -7.779 -3.907 0.000) 8.705 18.469 ( -7.779 3.907 0.000) 8.705 18.946 ( -1.177 -0.141 0.000) 1.186 18.946 ( -1.177 0.141 0.000) 1.186 19.739 ( 0.701 -0.156 0.000) 0.718 19.739 ( 0.701 0.156 0.000) 0.718 21.665 ( 8.387 -5.761 0.000) 10.175 21.665 ( 8.387 5.761 0.000) 10.175 21.898 ( 11.509 -0.722 0.000) 11.531 21.898 ( 11.509 0.722 0.000) 11.531 22.629 ( -7.921 -0.485 0.000) 7.936 22.629 ( -7.921 0.485 0.000) 7.936 22.806 ( -4.098 -0.287 0.000) 4.108 22.806 ( -4.098 0.287 0.000) 4.108 ======================= Grid point 26 (15/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.531 -4.483 0.000) 4.515 1.349 ( 0.531 4.483 0.000) 4.515 2.085 ( 6.837 -0.001 0.000) 6.837 2.085 ( 6.837 0.001 0.000) 6.837 2.637 ( 7.612 -0.234 0.000) 7.616 2.637 ( 7.612 0.234 0.000) 7.616 2.849 ( -5.248 -0.033 0.000) 5.248 2.849 ( -5.248 0.033 0.000) 5.248 3.225 ( 7.669 -0.897 0.000) 7.722 3.225 ( 7.669 0.897 0.000) 7.722 3.445 ( 2.454 -5.056 0.000) 5.620 3.445 ( 2.454 5.056 0.000) 5.620 3.622 ( 0.361 -1.532 0.000) 1.574 3.622 ( 0.361 1.532 0.000) 1.574 3.702 ( -6.618 -5.241 0.000) 8.442 3.702 ( -6.618 5.241 0.000) 8.442 4.962 ( 7.462 -3.271 0.000) 8.148 4.962 ( 7.462 3.271 0.000) 8.148 5.094 ( -5.311 -1.692 0.000) 5.574 5.094 ( -5.311 1.692 0.000) 5.574 5.342 ( 3.259 -2.280 0.000) 3.977 5.342 ( 3.259 2.280 0.000) 3.977 5.621 ( -4.884 -0.196 0.000) 4.888 5.621 ( -4.884 0.196 0.000) 4.888 5.746 ( -2.413 -0.696 0.000) 2.511 5.746 ( -2.413 0.696 0.000) 2.511 6.806 ( 2.191 -0.797 0.000) 2.332 6.806 ( 2.191 0.797 0.000) 2.332 6.942 ( -4.053 -3.615 0.000) 5.431 6.942 ( -4.053 3.615 0.000) 5.431 7.156 ( -0.380 -0.062 0.000) 0.385 7.156 ( -0.380 0.062 0.000) 0.385 7.542 ( 0.554 -0.004 0.000) 0.554 7.542 ( 0.554 0.004 0.000) 0.554 8.613 ( 1.488 -0.022 0.000) 1.489 8.613 ( 1.488 0.022 0.000) 1.489 8.852 ( -0.579 -0.490 0.000) 0.759 8.852 ( -0.579 0.490 0.000) 0.759 10.425 ( 1.607 -0.022 0.000) 1.607 10.425 ( 1.607 0.022 0.000) 1.607 10.524 ( -0.608 -0.029 0.000) 0.609 10.524 ( -0.608 0.029 0.000) 0.609 11.064 ( -0.074 -0.824 0.000) 0.827 11.064 ( -0.074 0.824 0.000) 0.827 12.143 ( -1.057 -1.159 0.000) 1.569 12.143 ( -1.057 1.159 0.000) 1.569 12.520 ( -1.598 -0.261 0.000) 1.619 12.520 ( -1.598 0.261 0.000) 1.619 14.930 ( 0.037 -0.033 0.000) 0.050 14.930 ( 0.037 0.033 0.000) 0.050 15.285 ( -0.269 -0.007 0.000) 0.269 15.285 ( -0.269 0.007 0.000) 0.269 15.937 ( -0.845 -0.000 0.000) 0.845 15.937 ( -0.845 0.000 0.000) 0.845 16.251 ( -1.255 -2.050 0.000) 2.404 16.251 ( -1.255 2.050 0.000) 2.404 18.033 ( 3.076 -0.107 0.000) 3.078 18.033 ( 3.076 0.107 0.000) 3.078 18.368 ( -2.454 -1.199 0.000) 2.732 18.368 ( -2.454 1.199 0.000) 2.732 18.927 ( -0.540 -0.032 0.000) 0.541 18.927 ( -0.540 0.032 0.000) 0.541 19.748 ( 0.224 -0.048 0.000) 0.229 19.748 ( 0.224 0.048 0.000) 0.229 21.781 ( 3.023 -3.050 0.000) 4.294 21.781 ( 3.023 3.050 0.000) 4.294 22.092 ( 6.770 -1.813 0.000) 7.009 22.092 ( 6.770 1.813 0.000) 7.009 22.495 ( -4.871 -0.000 0.000) 4.871 22.495 ( -4.871 0.000 0.000) 4.871 22.740 ( -2.029 -0.120 0.000) 2.032 22.740 ( -2.029 0.120 0.000) 2.032 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 0.000 27.866) 27.866 0.596 ( 0.000 0.000 27.893) 27.893 1.026 ( 0.000 0.000 44.284) 44.284 1.455 ( 0.000 0.000 5.486) 5.486 1.636 ( 0.000 0.000 9.431) 9.431 1.861 ( 0.000 0.000 23.072) 23.072 2.047 ( 0.000 0.000 9.124) 9.124 2.892 ( 0.000 0.000 -20.991) 20.991 2.972 ( 0.000 0.000 0.178) 0.178 3.284 ( 0.000 0.000 -4.573) 4.573 3.294 ( 0.000 0.000 -2.775) 2.775 3.610 ( 0.000 0.000 8.134) 8.134 3.735 ( 0.000 0.000 -3.256) 3.256 3.751 ( 0.000 0.000 -1.612) 1.612 4.020 ( 0.000 0.000 -1.359) 1.359 4.065 ( 0.000 0.000 2.906) 2.906 4.401 ( 0.000 0.000 -7.205) 7.205 4.449 ( 0.000 0.000 6.460) 6.460 4.565 ( 0.000 0.000 -0.409) 0.409 4.970 ( 0.000 0.000 1.666) 1.666 5.535 ( 0.000 0.000 2.238) 2.238 5.572 ( 0.000 0.000 -1.708) 1.708 5.645 ( 0.000 0.000 -4.395) 4.395 5.799 ( 0.000 0.000 4.232) 4.232 6.130 ( 0.000 0.000 -2.249) 2.249 6.440 ( 0.000 0.000 2.982) 2.982 6.715 ( 0.000 0.000 -3.202) 3.202 6.804 ( 0.000 0.000 -7.352) 7.352 6.945 ( 0.000 0.000 5.470) 5.470 7.088 ( 0.000 0.000 5.386) 5.386 7.139 ( 0.000 0.000 1.395) 1.395 7.270 ( 0.000 0.000 0.049) 0.049 7.529 ( 0.000 0.000 3.974) 3.974 8.174 ( 0.000 0.000 -6.603) 6.603 8.326 ( 0.000 0.000 0.540) 0.540 8.366 ( 0.000 0.000 1.562) 1.562 8.902 ( 0.000 0.000 1.262) 1.262 9.062 ( 0.000 0.000 0.202) 0.202 10.164 ( 0.000 0.000 14.237) 14.237 10.353 ( 0.000 0.000 -19.664) 19.664 10.370 ( 0.000 0.000 -18.749) 18.749 10.950 ( 0.000 0.000 10.007) 10.007 11.164 ( 0.000 0.000 6.774) 6.774 11.840 ( 0.000 0.000 -12.516) 12.516 12.376 ( 0.000 0.000 10.668) 10.668 12.418 ( 0.000 0.000 0.697) 0.697 12.530 ( 0.000 0.000 0.457) 0.457 13.004 ( 0.000 0.000 -10.373) 10.373 14.998 ( 0.000 0.000 7.942) 7.942 15.384 ( 0.000 0.000 -1.481) 1.481 15.704 ( 0.000 0.000 8.835) 8.835 15.848 ( 0.000 0.000 5.533) 5.533 15.869 ( 0.000 0.000 0.171) 0.171 15.965 ( 0.000 0.000 0.864) 0.864 16.170 ( 0.000 0.000 0.275) 0.275 16.804 ( 0.000 0.000 -0.389) 0.389 17.069 ( 0.000 0.000 9.225) 9.225 18.383 ( 0.000 0.000 -0.615) 0.615 18.716 ( 0.000 0.000 -3.385) 3.385 18.996 ( 0.000 0.000 2.703) 2.703 19.037 ( 0.000 0.000 1.300) 1.300 19.147 ( 0.000 0.000 -11.896) 11.896 19.637 ( 0.000 0.000 -1.826) 1.826 19.662 ( 0.000 0.000 -0.106) 0.106 21.019 ( 0.000 0.000 5.144) 5.144 21.065 ( 0.000 0.000 3.940) 3.940 21.366 ( 0.000 0.000 2.777) 2.777 21.987 ( 0.000 0.000 -0.917) 0.917 22.036 ( 0.000 0.000 0.844) 0.844 22.861 ( 0.000 0.000 -3.650) 3.650 22.966 ( 0.000 0.000 -4.761) 4.761 22.998 ( 0.000 0.000 -6.096) 6.096 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.11 0.00 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 10.770 0.000 19.511) 22.286 0.678 ( 14.606 0.000 16.914) 22.347 1.342 ( 22.500 0.000 23.155) 32.286 1.618 ( 15.123 0.000 1.304) 15.179 1.736 ( 9.212 0.000 8.189) 12.325 1.971 ( 11.224 0.000 28.932) 31.033 2.210 ( 15.125 0.000 10.237) 18.263 2.725 ( -10.861 0.000 -12.914) 16.874 2.974 ( -11.306 0.000 5.558) 12.598 3.098 ( 6.812 0.000 -7.476) 10.114 3.348 ( -3.768 0.000 -3.335) 5.032 3.626 ( 1.562 0.000 8.037) 8.187 3.707 ( -1.257 0.000 -5.231) 5.380 3.922 ( -0.840 0.000 -5.840) 5.900 4.003 ( -5.604 0.000 0.199) 5.607 4.152 ( 16.600 0.000 -11.930) 20.442 4.347 ( -2.882 0.000 3.297) 4.379 4.534 ( 5.358 0.000 -0.987) 5.448 4.638 ( 6.730 0.000 -1.602) 6.918 4.954 ( -1.587 0.000 1.167) 1.970 5.487 ( -4.424 0.000 2.748) 5.208 5.564 ( -0.921 0.000 -2.437) 2.605 5.643 ( -0.043 0.000 -3.446) 3.446 5.782 ( -1.634 0.000 3.858) 4.189 6.094 ( -5.159 0.000 -0.325) 5.169 6.379 ( -5.985 0.000 2.831) 6.621 6.647 ( -1.736 0.000 -3.534) 3.937 6.846 ( 0.867 0.000 -6.764) 6.819 7.051 ( 7.494 0.000 -0.963) 7.555 7.073 ( -0.991 0.000 5.448) 5.537 7.138 ( -0.016 0.000 1.377) 1.377 7.265 ( -0.556 0.000 0.734) 0.921 7.532 ( 0.480 0.000 4.757) 4.781 8.051 ( -9.790 0.000 5.053) 11.017 8.361 ( 3.306 0.000 0.368) 3.326 8.396 ( 2.834 0.000 1.389) 3.156 8.893 ( -0.712 0.000 1.294) 1.477 9.043 ( -1.808 0.000 0.491) 1.873 10.158 ( 0.192 0.000 12.793) 12.794 10.323 ( -1.630 0.000 -20.183) 20.249 10.396 ( 1.182 0.000 -17.900) 17.939 10.955 ( 0.545 0.000 9.871) 9.886 11.167 ( 0.224 0.000 6.321) 6.325 11.314 ( -34.233 0.000 25.921) 42.940 12.305 ( -2.681 0.000 11.305) 11.619 12.421 ( 0.230 0.000 0.414) 0.473 12.532 ( 0.067 0.000 0.765) 0.767 12.889 ( -10.697 0.000 -8.590) 13.719 14.991 ( -0.647 0.000 8.033) 8.059 15.253 ( -11.362 0.000 8.229) 14.029 15.482 ( -4.697 0.000 10.430) 11.439 15.828 ( -10.444 0.000 26.623) 28.598 15.869 ( -0.091 0.000 -0.774) 0.779 15.979 ( 1.313 0.000 1.914) 2.321 16.151 ( -1.548 0.000 0.236) 1.566 16.753 ( -5.049 0.000 -0.356) 5.061 17.031 ( 8.938 0.000 -5.086) 10.284 18.318 ( -12.871 0.000 22.777) 26.162 18.366 ( -1.671 0.000 -0.822) 1.862 18.982 ( -0.651 0.000 2.242) 2.335 19.006 ( -12.271 0.000 -9.129) 15.294 19.035 ( -0.218 0.000 1.881) 1.894 19.631 ( 0.492 0.000 -2.814) 2.856 19.710 ( 2.746 0.000 -0.274) 2.759 21.141 ( 6.989 0.000 2.372) 7.380 21.275 ( 13.148 0.000 -7.504) 15.138 21.432 ( 6.406 0.000 2.970) 7.061 22.024 ( -1.219 0.000 0.672) 1.392 22.298 ( 14.088 0.000 -16.899) 22.001 22.842 ( -1.984 0.000 -4.244) 4.685 22.952 ( -4.559 0.000 -5.713) 7.309 22.963 ( -0.505 0.000 -3.165) 3.205 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.22 0.00 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 15.803 0.000 8.038) 17.730 1.097 ( 23.933 0.000 -0.141) 23.933 1.756 ( 18.201 0.000 6.441) 19.307 1.959 ( 12.553 0.000 5.748) 13.807 1.985 ( 19.318 0.000 -5.391) 20.056 2.283 ( 17.902 0.000 31.830) 36.519 2.487 ( -7.895 0.000 -3.765) 8.747 2.593 ( 17.516 0.000 3.199) 17.806 2.824 ( -5.268 0.000 -0.229) 5.273 3.211 ( 4.377 0.000 -6.995) 8.252 3.232 ( -7.276 0.000 -0.588) 7.300 3.666 ( 2.322 0.000 7.554) 7.903 3.670 ( -2.117 0.000 -5.693) 6.074 3.859 ( -3.773 0.000 -1.809) 4.184 3.874 ( -6.798 0.000 -2.231) 7.155 4.286 ( -3.607 0.000 7.561) 8.377 4.447 ( 12.854 0.000 -14.825) 19.621 4.636 ( 4.746 0.000 -1.616) 5.014 4.804 ( 9.199 0.000 -3.488) 9.838 4.913 ( -2.320 0.000 -0.256) 2.334 5.378 ( -5.976 0.000 3.730) 7.045 5.531 ( -2.326 0.000 -3.627) 4.309 5.650 ( 0.881 0.000 -1.426) 1.676 5.738 ( -2.671 0.000 2.523) 3.674 5.920 ( -11.266 0.000 3.393) 11.766 6.216 ( -9.923 0.000 2.763) 10.300 6.659 ( 2.113 0.000 -5.398) 5.797 6.846 ( -0.579 0.000 -4.554) 4.590 7.032 ( -2.339 0.000 4.996) 5.517 7.140 ( 0.249 0.000 1.591) 1.610 7.171 ( 2.974 0.000 -5.366) 6.135 7.248 ( -1.143 0.000 2.046) 2.344 7.559 ( 2.325 0.000 6.456) 6.862 7.872 ( -7.404 0.000 12.729) 14.726 8.445 ( 4.771 0.000 -0.058) 4.771 8.469 ( 4.239 0.000 0.879) 4.329 8.878 ( -0.703 0.000 2.111) 2.225 8.997 ( -2.603 0.000 1.540) 3.025 10.198 ( 3.997 0.000 7.196) 8.231 10.299 ( -0.700 0.000 -20.173) 20.185 10.405 ( -0.366 0.000 -16.669) 16.673 10.853 ( -13.799 0.000 23.628) 27.362 10.976 ( 1.713 0.000 9.121) 9.280 11.169 ( -0.096 0.000 5.384) 5.385 12.265 ( -1.897 0.000 8.234) 8.450 12.428 ( 0.573 0.000 -0.078) 0.578 12.530 ( -0.292 0.000 1.279) 1.312 12.630 ( -13.933 0.000 -4.761) 14.724 14.980 ( -0.206 0.000 7.547) 7.550 15.107 ( -3.941 0.000 9.869) 10.627 15.437 ( -1.317 0.000 7.840) 7.950 15.615 ( -8.881 0.000 22.398) 24.094 15.861 ( -0.782 0.000 -2.439) 2.561 16.002 ( 0.508 0.000 4.432) 4.461 16.133 ( 0.388 0.000 -0.201) 0.437 16.614 ( -8.452 0.000 -0.489) 8.467 17.343 ( 18.102 0.000 -13.712) 22.709 18.204 ( -2.097 0.000 15.440) 15.582 18.324 ( -2.340 0.000 -1.355) 2.704 18.735 ( -13.597 0.000 -5.543) 14.684 18.968 ( -0.676 0.000 2.062) 2.170 19.027 ( -0.631 0.000 2.933) 3.000 19.653 ( 1.483 0.000 -3.540) 3.838 19.748 ( 1.096 0.000 -0.286) 1.133 21.314 ( 9.732 0.000 -0.070) 9.732 21.544 ( 14.574 0.000 -7.399) 16.344 21.608 ( 10.883 0.000 2.788) 11.234 21.987 ( -2.532 0.000 0.270) 2.546 22.426 ( 1.126 0.000 -12.800) 12.849 22.787 ( -3.142 0.000 -4.123) 5.184 22.823 ( -8.218 0.000 -4.764) 9.499 22.941 ( -1.792 0.000 -0.347) 1.825 ======================= Grid point 48 (19/90) ======================= q-point: ( 0.33 0.00 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 16.003 0.000 1.106) 16.041 1.553 ( 21.096 0.000 -2.709) 21.269 2.048 ( 10.465 0.000 7.496) 12.873 2.120 ( -9.709 0.000 -8.502) 12.905 2.221 ( 13.214 0.000 2.742) 13.495 2.520 ( 16.498 0.000 -7.918) 18.300 2.564 ( 7.154 0.000 16.642) 18.115 2.753 ( -0.349 0.000 -1.885) 1.917 2.962 ( 15.727 0.000 3.367) 16.083 3.072 ( -8.472 0.000 0.775) 8.508 3.270 ( 1.958 0.000 -3.013) 3.593 3.645 ( 0.079 0.000 -3.290) 3.291 3.692 ( -3.007 0.000 3.233) 4.415 3.773 ( 0.343 0.000 2.151) 2.178 3.788 ( -3.233 0.000 -0.682) 3.304 4.190 ( -6.213 0.000 9.089) 11.010 4.685 ( 11.285 0.000 -14.430) 18.318 4.721 ( 3.835 0.000 -1.544) 4.134 4.869 ( -2.003 0.000 -1.803) 2.694 4.967 ( 6.050 0.000 -5.219) 7.990 5.278 ( -3.069 0.000 4.632) 5.557 5.488 ( -1.382 0.000 -3.831) 4.073 5.661 ( -2.306 0.000 -1.772) 2.909 5.682 ( -12.046 0.000 3.810) 12.635 5.692 ( 0.322 0.000 2.088) 2.112 6.009 ( -10.150 0.000 3.434) 10.715 6.717 ( 3.595 0.000 -4.653) 5.880 6.834 ( -0.443 0.000 -3.026) 3.058 6.981 ( -2.477 0.000 4.814) 5.414 7.149 ( 0.682 0.000 2.138) 2.244 7.165 ( -3.238 0.000 -4.948) 5.913 7.221 ( -1.464 0.000 2.919) 3.265 7.614 ( 2.879 0.000 7.914) 8.422 7.761 ( -3.884 0.000 12.857) 13.431 8.536 ( 4.015 0.000 -0.506) 4.046 8.550 ( 3.557 0.000 0.161) 3.561 8.868 ( -0.242 0.000 3.365) 3.374 8.945 ( -2.560 0.000 2.950) 3.906 10.296 ( 0.394 0.000 -19.068) 19.072 10.305 ( 6.230 0.000 2.924) 6.882 10.384 ( -1.629 0.000 -15.865) 15.948 10.665 ( -6.767 0.000 13.425) 15.034 11.022 ( 2.758 0.000 7.674) 8.155 11.159 ( -0.961 0.000 4.789) 4.885 12.226 ( -1.837 0.000 6.065) 6.337 12.382 ( -10.216 0.000 -1.062) 10.271 12.444 ( 0.974 0.000 -0.232) 1.002 12.518 ( -0.939 0.000 1.371) 1.661 14.985 ( 0.591 0.000 6.824) 6.850 15.056 ( -1.820 0.000 8.206) 8.406 15.416 ( -0.791 0.000 9.050) 9.085 15.485 ( -4.439 0.000 16.766) 17.344 15.847 ( -0.164 0.000 -2.395) 2.400 15.990 ( -1.822 0.000 4.972) 5.296 16.169 ( 2.796 0.000 -0.053) 2.797 16.442 ( -8.114 0.000 -0.836) 8.157 17.677 ( 14.890 0.000 -12.243) 19.277 18.167 ( -2.420 0.000 6.836) 7.252 18.284 ( -1.352 0.000 -1.927) 2.354 18.498 ( -9.891 0.000 -3.379) 10.452 18.959 ( -0.141 0.000 2.776) 2.780 19.010 ( -1.095 0.000 3.823) 3.977 19.685 ( 1.665 0.000 -3.345) 3.736 19.756 ( -0.222 0.000 -0.662) 0.698 21.509 ( 9.516 0.000 -1.221) 9.594 21.844 ( 14.921 0.000 -8.739) 17.292 21.847 ( 12.131 0.000 0.844) 12.161 21.925 ( -3.030 0.000 0.425) 3.059 22.398 ( -3.323 0.000 -11.322) 11.799 22.631 ( -10.952 0.000 -3.510) 11.501 22.737 ( -1.413 0.000 -1.846) 2.325 22.887 ( -3.629 0.000 1.044) 3.776 ======================= Grid point 49 (20/90) ======================= q-point: ( 0.44 0.00 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 15.031 0.000 -3.082) 15.344 1.862 ( -14.231 0.000 -6.036) 15.458 1.917 ( 15.077 0.000 1.231) 15.128 2.121 ( -4.089 0.000 7.771) 8.781 2.455 ( 9.674 0.000 1.078) 9.734 2.578 ( -2.632 0.000 0.195) 2.639 2.806 ( 3.642 0.000 2.208) 4.259 2.861 ( 15.200 0.000 -10.001) 18.195 2.912 ( -7.075 0.000 0.324) 7.082 3.077 ( -5.163 0.000 -9.414) 10.736 3.381 ( 9.747 0.000 6.092) 11.494 3.564 ( -8.022 0.000 2.614) 8.437 3.675 ( 2.530 0.000 -0.286) 2.546 3.729 ( -2.808 0.000 0.044) 2.808 3.874 ( 7.579 0.000 6.992) 10.312 4.041 ( -8.503 0.000 8.824) 12.255 4.787 ( 2.715 0.000 -1.919) 3.325 4.831 ( -1.898 0.000 -2.310) 2.990 4.886 ( 8.375 0.000 -12.955) 15.426 5.000 ( -2.707 0.000 -8.231) 8.665 5.300 ( 5.316 0.000 4.604) 7.032 5.459 ( -10.043 0.000 3.528) 10.645 5.495 ( 2.366 0.000 -3.845) 4.515 5.575 ( -4.962 0.000 -3.374) 6.000 5.739 ( 3.579 0.000 3.039) 4.696 5.838 ( -6.691 0.000 4.078) 7.836 6.788 ( 3.001 0.000 -3.128) 4.335 6.827 ( -0.812 0.000 -3.233) 3.333 6.965 ( 2.149 0.000 3.981) 4.524 7.063 ( -6.223 0.000 -1.367) 6.371 7.167 ( 1.093 0.000 2.726) 2.937 7.192 ( -1.396 0.000 3.072) 3.374 7.665 ( 2.187 0.000 9.235) 9.491 7.705 ( -2.084 0.000 10.994) 11.189 8.595 ( 1.704 0.000 -0.702) 1.843 8.600 ( 1.204 0.000 -0.462) 1.289 8.873 ( 0.780 0.000 4.062) 4.136 8.899 ( -1.890 0.000 3.926) 4.357 10.314 ( 1.355 0.000 -17.407) 17.460 10.347 ( -1.902 0.000 -16.116) 16.228 10.430 ( 6.154 0.000 3.001) 6.847 10.547 ( -5.632 0.000 6.683) 8.739 11.080 ( 2.848 0.000 6.135) 6.764 11.129 ( -2.054 0.000 5.053) 5.455 12.202 ( -0.157 0.000 3.980) 3.983 12.238 ( -4.218 0.000 1.771) 4.575 12.467 ( 1.320 0.000 0.161) 1.330 12.494 ( -1.370 0.000 0.871) 1.623 15.001 ( 1.046 0.000 6.778) 6.858 15.025 ( -1.334 0.000 7.283) 7.404 15.409 ( 0.145 0.000 11.036) 11.037 15.426 ( -1.743 0.000 13.350) 13.464 15.868 ( 2.366 0.000 -0.309) 2.386 15.932 ( -3.616 0.000 2.755) 4.546 16.232 ( 3.396 0.000 0.070) 3.397 16.311 ( -4.992 0.000 -0.530) 5.020 17.928 ( 10.293 0.000 -7.727) 12.870 18.088 ( -5.863 0.000 -1.238) 5.992 18.282 ( 1.377 0.000 -2.258) 2.644 18.347 ( -5.346 0.000 -2.516) 5.909 18.965 ( 0.744 0.000 3.786) 3.858 18.986 ( -1.240 0.000 4.192) 4.372 19.717 ( 1.493 0.000 -2.532) 2.939 19.743 ( -1.043 0.000 -1.503) 1.830 21.683 ( 7.864 0.000 -1.313) 7.973 21.819 ( -5.847 0.000 -1.085) 5.947 22.113 ( 11.662 0.000 -10.656) 15.797 22.125 ( 13.746 0.000 -0.033) 13.746 22.298 ( -6.965 0.000 -11.544) 13.483 22.392 ( -12.906 0.000 -1.968) 13.055 22.741 ( 1.881 0.000 0.656) 1.992 22.806 ( -4.172 0.000 1.630) 4.479 ======================= Grid point 54 (21/90) ======================= q-point: ( 0.00 0.25 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.000 2.990 22.825) 23.020 0.717 ( 0.000 16.068 12.750) 20.512 1.267 ( 0.000 0.271 11.083) 11.086 1.517 ( 0.000 -0.764 16.641) 16.658 1.522 ( 0.000 12.216 34.009) 36.137 1.820 ( 0.000 0.363 9.116) 9.124 2.150 ( 0.000 3.774 6.884) 7.851 2.682 ( 0.000 -20.207 -8.811) 22.045 2.960 ( 0.000 0.495 3.176) 3.214 3.156 ( 0.000 -2.711 5.789) 6.393 3.265 ( 0.000 -3.258 -1.018) 3.414 3.392 ( 0.000 -15.999 6.517) 17.275 3.786 ( 0.000 4.394 -2.596) 5.103 3.879 ( 0.000 7.842 -2.074) 8.111 4.011 ( 0.000 -0.810 -0.711) 1.077 4.101 ( 0.000 3.519 1.502) 3.826 4.140 ( 0.000 -13.252 0.986) 13.288 4.370 ( 0.000 -4.522 -5.887) 7.423 4.950 ( 0.000 20.678 -2.810) 20.868 5.210 ( 0.000 11.629 -17.645) 21.133 5.565 ( 0.000 3.298 1.960) 3.837 5.592 ( 0.000 1.766 -2.171) 2.798 5.637 ( 0.000 -0.768 -3.565) 3.647 5.748 ( 0.000 -4.561 3.140) 5.537 6.196 ( 0.000 6.043 -1.272) 6.175 6.411 ( 0.000 -3.098 1.427) 3.410 6.740 ( 0.000 2.335 -3.684) 4.362 6.804 ( 0.000 -0.158 -7.131) 7.133 6.934 ( 0.000 -0.630 6.206) 6.238 7.036 ( 0.000 -4.722 6.575) 8.095 7.172 ( 0.000 3.141 1.642) 3.544 7.269 ( 0.000 -0.532 0.143) 0.551 7.557 ( 0.000 3.145 5.522) 6.354 7.938 ( 0.000 -17.955 9.570) 20.346 8.332 ( 0.000 0.599 0.680) 0.906 8.361 ( 0.000 -0.564 1.409) 1.518 8.924 ( 0.000 2.339 1.086) 2.579 9.039 ( 0.000 -2.307 0.369) 2.336 10.159 ( 0.000 0.153 9.634) 9.636 10.309 ( 0.000 -6.211 -10.279) 12.010 10.393 ( 0.000 3.750 -13.792) 14.293 10.701 ( 0.000 -18.324 17.998) 25.684 11.181 ( 0.000 1.769 7.216) 7.429 11.365 ( 0.000 -14.357 13.930) 20.005 12.259 ( 0.000 1.058 4.313) 4.440 12.380 ( 0.000 -3.509 1.042) 3.661 13.059 ( 0.000 5.034 -11.508) 12.561 13.063 ( 0.000 15.302 -21.652) 26.513 14.997 ( 0.000 0.081 7.839) 7.839 15.170 ( 0.000 -13.956 7.843) 16.009 15.659 ( 0.000 -2.829 16.452) 16.694 15.690 ( 0.000 -1.367 9.778) 9.873 15.896 ( 0.000 1.270 1.639) 2.074 15.953 ( 0.000 -1.148 1.024) 1.539 16.484 ( 0.000 15.053 -11.444) 18.909 16.774 ( 0.000 -3.085 -2.372) 3.891 17.117 ( 0.000 5.097 11.998) 13.036 17.650 ( 0.000 -31.171 29.751) 43.090 18.985 ( 0.000 1.996 -0.351) 2.027 19.028 ( 0.000 -0.837 1.358) 1.595 19.066 ( 0.000 6.871 -14.784) 16.303 19.146 ( 0.000 -0.246 -12.394) 12.397 19.653 ( 0.000 0.782 -1.388) 1.593 19.662 ( 0.000 -0.008 -0.191) 0.191 21.026 ( 0.000 0.758 5.077) 5.133 21.062 ( 0.000 -0.555 4.255) 4.291 21.367 ( 0.000 0.184 3.222) 3.227 21.477 ( 0.000 -10.938 11.034) 15.537 22.766 ( 0.000 22.052 -22.185) 31.280 22.872 ( 0.000 1.171 -3.800) 3.976 22.938 ( 0.000 -2.098 -4.374) 4.852 23.011 ( 0.000 0.271 -7.607) 7.612 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.11 0.25 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 16.896 8.131 12.760) 22.681 0.850 ( 10.219 14.519 8.922) 19.870 1.398 ( 11.092 7.068 12.218) 17.952 1.443 ( 7.575 -15.267 8.700) 19.135 1.889 ( 19.094 0.194 30.961) 36.376 1.915 ( 11.512 10.311 3.996) 15.963 2.270 ( 10.922 -0.518 7.182) 13.082 2.610 ( -5.495 -10.099 -4.578) 12.376 2.973 ( -2.024 1.709 2.098) 3.379 3.087 ( 1.735 -0.003 -1.262) 2.146 3.295 ( -0.956 -3.400 -0.015) 3.532 3.449 ( 3.846 -15.088 5.438) 16.493 3.717 ( -3.191 2.070 -0.699) 3.868 3.911 ( -3.322 -1.259 -2.777) 4.509 4.014 ( -3.618 0.782 0.349) 3.718 4.136 ( 3.896 -8.335 -0.643) 9.223 4.197 ( 10.214 0.740 -2.438) 10.527 4.435 ( 5.364 -3.617 -3.971) 7.591 4.958 ( 0.935 17.681 -3.483) 18.045 5.144 ( -5.445 10.360 -12.212) 16.915 5.522 ( -4.162 3.612 2.446) 6.029 5.587 ( -0.740 1.995 -2.921) 3.614 5.638 ( 0.184 -0.443 -2.615) 2.658 5.726 ( -2.210 -4.925 2.999) 6.175 6.156 ( -4.977 5.441 0.233) 7.377 6.350 ( -5.965 -2.989 1.873) 6.930 6.657 ( -2.551 0.792 -3.637) 4.513 6.856 ( 0.752 0.973 -6.512) 6.627 7.024 ( 4.076 -2.665 1.158) 5.006 7.035 ( 2.758 -2.711 5.739) 6.921 7.164 ( -0.701 2.335 1.573) 2.901 7.266 ( -0.383 -0.259 0.854) 0.971 7.555 ( 0.062 2.474 6.535) 6.988 7.883 ( -4.567 -13.170 11.475) 18.055 8.368 ( 3.373 0.667 0.509) 3.475 8.396 ( 3.240 -0.287 1.059) 3.421 8.910 ( -1.121 1.916 1.122) 2.487 9.021 ( -1.702 -2.154 0.759) 2.848 10.149 ( 0.014 -0.561 9.693) 9.710 10.298 ( -0.733 -3.286 -15.494) 15.855 10.412 ( 1.100 2.418 -13.279) 13.542 10.694 ( -0.701 -15.509 18.261) 23.969 11.152 ( -2.798 0.095 7.059) 7.594 11.299 ( -4.925 -0.784 13.222) 14.132 12.248 ( -0.908 0.392 4.799) 4.900 12.377 ( -0.321 -4.088 0.999) 4.221 12.865 ( -13.941 15.921 -8.688) 22.876 12.940 ( -10.871 4.294 -9.122) 14.827 14.987 ( -0.814 -0.288 7.915) 7.962 15.126 ( -3.217 -8.120 9.147) 12.647 15.483 ( -6.125 0.195 10.174) 11.877 15.742 ( -4.451 -2.912 20.412) 21.093 15.897 ( -0.216 1.220 1.498) 1.944 15.973 ( 1.805 -0.854 1.885) 2.746 16.402 ( -8.999 15.904 -0.921) 18.297 16.735 ( -6.650 -2.040 -0.226) 6.959 17.031 ( 9.057 0.017 -5.199) 10.443 17.869 ( 11.817 -17.872 18.975) 28.620 18.760 ( -16.933 13.260 -4.328) 21.938 18.977 ( -3.226 -0.043 -0.793) 3.323 19.021 ( -5.187 0.536 -1.294) 5.372 19.035 ( -5.827 0.550 -1.379) 6.013 19.631 ( 0.555 0.007 -2.891) 2.944 19.713 ( 2.346 0.297 -0.249) 2.378 21.147 ( 8.593 0.755 1.511) 8.757 21.248 ( 13.277 -2.793 -5.677) 14.707 21.434 ( 6.507 0.214 3.525) 7.404 21.645 ( 12.727 -15.402 7.036) 21.183 22.672 ( -7.297 15.375 -16.742) 23.873 22.847 ( -2.411 0.463 -4.450) 5.083 22.927 ( -1.581 -1.366 -3.874) 4.401 22.986 ( -2.785 1.247 -5.323) 6.136 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.22 0.25 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 10.310 9.051 8.048) 15.905 1.183 ( 20.654 7.665 0.030) 22.031 1.672 ( 14.818 -14.650 3.767) 21.175 1.711 ( 15.702 -4.794 1.348) 16.473 2.143 ( 13.612 0.124 9.386) 16.535 2.312 ( 17.491 4.182 7.038) 19.312 2.410 ( 0.955 -6.051 5.097) 7.970 2.664 ( 14.514 8.889 8.573) 19.057 2.908 ( -3.328 5.664 -4.766) 8.116 3.182 ( 5.293 -1.680 -2.260) 5.996 3.233 ( -4.773 0.189 0.497) 4.802 3.513 ( 2.518 -11.063 2.633) 11.648 3.674 ( -0.931 -1.594 1.264) 2.237 3.816 ( -5.233 -2.659 -0.457) 5.888 3.907 ( -6.096 1.678 -1.753) 6.561 4.168 ( -0.407 -9.264 6.700) 11.440 4.454 ( 12.895 1.566 -9.253) 15.948 4.564 ( 7.589 -2.438 -2.358) 8.312 4.987 ( 1.402 10.913 -5.267) 12.198 5.040 ( -3.865 8.326 -6.964) 11.522 5.414 ( -6.207 3.697 3.641) 8.091 5.551 ( -2.926 1.512 -2.394) 4.072 5.637 ( -1.313 -2.832 0.104) 3.123 5.678 ( -1.170 -2.375 0.280) 2.662 5.998 ( -10.059 5.856 1.955) 11.802 6.189 ( -9.671 -2.706 2.840) 10.436 6.654 ( 1.539 -0.490 -5.283) 5.524 6.849 ( -1.053 0.255 -3.378) 3.548 7.016 ( -1.118 -0.993 4.466) 4.709 7.136 ( 2.584 -2.925 -3.312) 5.119 7.151 ( -0.423 0.867 1.423) 1.719 7.252 ( -1.046 0.085 2.037) 2.292 7.573 ( 1.888 1.445 8.148) 8.488 7.792 ( -4.084 -6.505 12.265) 14.471 8.453 ( 4.784 0.708 0.100) 4.837 8.475 ( 4.406 0.282 0.593) 4.455 8.889 ( -0.956 1.176 1.751) 2.316 8.979 ( -2.367 -1.759 1.765) 3.437 10.190 ( 4.110 -0.640 5.072) 6.559 10.288 ( -0.126 -1.116 -18.765) 18.799 10.419 ( -0.493 1.512 -13.932) 14.022 10.670 ( -1.778 -9.055 16.940) 19.290 11.093 ( -2.339 3.225 7.498) 8.490 11.219 ( -3.027 4.398 8.329) 9.893 12.228 ( -1.081 -0.831 5.438) 5.606 12.360 ( -1.729 -5.678 0.824) 5.992 12.651 ( -7.480 8.293 -1.294) 11.242 12.697 ( -11.503 4.608 -4.229) 13.093 14.976 ( -0.105 -0.351 7.212) 7.221 15.076 ( -1.769 -2.390 8.626) 9.124 15.414 ( -1.724 -1.450 8.759) 9.044 15.597 ( -7.573 -0.997 21.062) 22.405 15.890 ( -0.546 1.684 -1.328) 2.213 16.014 ( 1.824 0.112 3.792) 4.210 16.247 ( -5.338 10.668 0.024) 11.929 16.576 ( -8.772 -4.149 -0.356) 9.710 17.348 ( 18.023 0.377 -14.052) 22.857 18.038 ( 5.537 -8.461 11.309) 15.171 18.504 ( -9.331 9.800 0.161) 13.533 18.728 ( -13.964 -0.820 -4.176) 14.598 18.971 ( -0.911 0.268 2.107) 2.311 19.021 ( -0.563 -0.489 3.039) 3.129 19.654 ( 1.477 0.107 -3.724) 4.007 19.747 ( 0.984 -0.111 -0.164) 1.004 21.339 ( 10.110 2.596 -0.913) 10.477 21.520 ( 14.110 -2.690 -7.460) 16.186 21.612 ( 11.050 0.374 3.148) 11.495 21.839 ( 6.130 -9.781 2.366) 11.783 22.527 ( -6.928 6.109 -12.881) 15.851 22.783 ( -3.772 -0.220 -5.214) 6.439 22.846 ( -6.444 2.197 -2.862) 7.385 22.929 ( -2.526 -1.266 -0.449) 2.860 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.33 0.25 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 10.290 0.326 2.647) 10.630 1.548 ( 13.526 -3.142 0.695) 13.903 1.842 ( 4.492 -13.970 -2.859) 14.951 2.053 ( 15.832 -0.305 4.157) 16.372 2.365 ( 7.330 3.292 -6.375) 10.257 2.455 ( 7.904 -2.923 8.028) 11.639 2.651 ( 12.796 5.174 1.547) 13.889 2.827 ( -0.292 6.788 -5.275) 8.602 2.989 ( 9.653 3.041 4.060) 10.904 3.101 ( -5.761 1.988 -0.965) 6.171 3.293 ( 5.457 2.919 1.222) 6.309 3.552 ( 1.768 -7.233 -0.149) 7.447 3.693 ( 2.617 -3.616 4.815) 6.566 3.715 ( -5.072 -1.620 -0.814) 5.386 3.788 ( -5.044 -0.357 0.819) 5.123 4.114 ( -4.933 -6.701 9.741) 12.811 4.686 ( 9.766 -0.016 -10.491) 14.333 4.735 ( 9.632 2.030 -2.019) 10.049 4.951 ( -2.770 6.583 -6.382) 9.578 5.054 ( 2.580 5.656 -6.189) 8.772 5.298 ( -4.605 2.585 4.552) 6.972 5.480 ( -3.854 -2.544 1.420) 4.831 5.574 ( -4.061 -2.466 -3.457) 5.876 5.695 ( 1.837 0.812 0.670) 2.117 5.786 ( -10.599 4.939 0.046) 11.694 5.992 ( -9.422 -1.629 4.392) 10.522 6.703 ( 3.234 -1.291 -4.500) 5.690 6.827 ( -0.911 -0.537 -2.091) 2.343 6.983 ( -2.077 0.525 4.060) 4.590 7.120 ( -2.899 -2.979 -1.692) 4.488 7.161 ( 0.367 -0.183 0.445) 0.605 7.225 ( -1.549 0.216 3.048) 3.426 7.620 ( 2.460 0.561 8.947) 9.296 7.728 ( -2.330 -2.736 11.525) 12.073 8.543 ( 3.979 0.632 -0.342) 4.043 8.558 ( 3.566 0.552 0.028) 3.608 8.874 ( -0.427 0.700 2.974) 3.084 8.932 ( -2.204 -1.174 2.948) 3.864 10.292 ( 1.985 -0.262 -14.761) 14.896 10.300 ( 4.902 -0.489 -2.982) 5.759 10.395 ( -1.712 0.963 -13.631) 13.772 10.619 ( -3.376 -3.271 12.219) 13.092 11.075 ( 0.422 3.553 6.611) 7.517 11.170 ( -2.015 1.129 5.290) 5.772 12.205 ( -1.141 -1.050 5.222) 5.447 12.295 ( -4.609 -5.244 1.145) 7.075 12.525 ( -4.173 4.599 -1.160) 6.317 12.558 ( -3.573 2.850 0.219) 4.576 14.983 ( 0.680 -0.157 6.604) 6.641 15.047 ( -1.272 -0.675 7.919) 8.049 15.395 ( -0.389 -1.575 9.537) 9.674 15.480 ( -4.238 -0.387 16.517) 17.056 15.877 ( -0.346 2.098 -2.270) 3.110 16.021 ( -1.548 2.270 5.327) 5.994 16.198 ( 0.196 3.615 -0.517) 3.657 16.406 ( -7.649 -3.800 -0.804) 8.579 17.678 ( 14.692 0.087 -12.246) 19.127 18.101 ( 0.927 -3.912 4.899) 6.337 18.365 ( -5.013 5.385 -0.797) 7.400 18.490 ( -9.604 -0.897 -2.905) 10.074 18.959 ( -0.241 0.016 2.858) 2.869 19.006 ( -1.026 -0.356 3.868) 4.017 19.686 ( 1.616 0.047 -3.430) 3.792 19.754 ( -0.200 -0.160 -0.576) 0.630 21.537 ( 9.486 2.851 -1.904) 10.086 21.771 ( 9.348 -5.944 -5.383) 12.316 21.859 ( 11.937 0.939 0.071) 11.974 21.923 ( 5.411 -0.679 -0.407) 5.468 22.395 ( -6.502 -0.170 -12.255) 13.874 22.662 ( -9.281 2.204 -4.910) 10.728 22.747 ( -2.047 1.150 0.184) 2.356 22.871 ( -3.437 -1.532 0.771) 3.841 ======================= Grid point 58 (25/90) ======================= q-point: ( 0.44 0.25 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 9.324 -9.002 0.120) 12.961 1.599 ( -5.817 -15.920 0.212) 16.950 2.025 ( 12.535 3.112 -1.028) 12.956 2.209 ( -2.831 5.616 7.795) 10.016 2.508 ( 7.602 2.501 -5.900) 9.943 2.567 ( 2.852 -0.114 -2.723) 3.945 2.782 ( 2.409 -1.292 -0.167) 2.739 2.888 ( -7.014 0.057 0.660) 7.045 2.963 ( 9.141 6.217 -8.441) 13.909 3.113 ( -2.954 3.617 -8.049) 9.305 3.435 ( 8.281 5.016 6.551) 11.690 3.571 ( -3.344 -1.732 2.108) 4.315 3.624 ( -0.300 -1.452 0.501) 1.565 3.678 ( -3.542 -4.042 0.793) 5.432 3.821 ( 7.152 -5.029 8.317) 12.068 3.981 ( -8.030 -5.606 10.124) 14.085 4.828 ( 4.970 2.843 -6.511) 8.671 4.899 ( -2.310 4.987 -7.166) 9.031 4.931 ( 8.462 4.439 -5.380) 10.966 5.058 ( -3.470 5.068 -5.468) 8.223 5.283 ( 3.915 -1.241 2.875) 5.014 5.395 ( -5.398 -4.698 2.429) 7.557 5.516 ( -0.180 1.036 -4.663) 4.780 5.594 ( -7.634 1.307 -3.726) 8.595 5.748 ( 3.336 0.719 3.374) 4.799 5.838 ( -5.940 -0.047 4.991) 7.759 6.772 ( 3.162 -1.500 -3.545) 4.982 6.813 ( -0.970 -1.144 -3.022) 3.374 6.961 ( 0.975 -0.131 4.234) 4.347 7.032 ( -5.131 -2.656 0.330) 5.787 7.173 ( 0.897 0.326 2.449) 2.629 7.195 ( -1.335 0.245 3.167) 3.445 7.663 ( 1.793 -0.155 9.417) 9.587 7.693 ( -1.409 -0.999 10.288) 10.432 8.601 ( 1.692 0.562 -0.566) 1.870 8.607 ( 1.172 0.572 -0.430) 1.373 8.874 ( 0.494 0.209 3.739) 3.778 8.894 ( -1.507 -0.455 3.720) 4.040 10.316 ( 1.529 0.177 -17.248) 17.316 10.352 ( -1.898 0.386 -16.094) 16.210 10.427 ( 5.913 -0.287 3.206) 6.733 10.536 ( -4.918 -0.841 6.639) 8.305 11.098 ( 1.689 1.571 5.526) 5.988 11.134 ( -1.777 0.323 4.830) 5.157 12.190 ( -0.086 -0.889 4.167) 4.262 12.214 ( -2.769 -1.905 2.769) 4.355 12.491 ( -0.047 1.873 -0.242) 1.889 12.508 ( -1.686 1.044 0.209) 1.994 15.001 ( 1.051 -0.076 6.739) 6.821 15.023 ( -1.188 -0.176 7.289) 7.387 15.397 ( 0.596 -0.950 11.084) 11.140 15.421 ( -1.920 -0.432 13.192) 13.338 15.893 ( 2.181 2.009 -0.421) 2.995 15.959 ( -3.976 2.351 3.022) 5.519 16.229 ( 2.374 -0.047 -0.106) 2.377 16.290 ( -4.076 -2.097 -0.473) 4.608 17.924 ( 9.951 -0.302 -7.538) 12.488 18.069 ( -4.430 -1.418 -1.206) 4.805 18.307 ( -0.499 2.086 -2.417) 3.231 18.349 ( -4.636 0.043 -2.667) 5.349 18.963 ( 0.675 -0.116 3.859) 3.920 18.983 ( -1.168 -0.233 4.233) 4.398 19.716 ( 1.450 -0.030 -2.548) 2.932 19.741 ( -1.002 -0.099 -1.469) 1.781 21.704 ( 7.136 2.165 -1.627) 7.633 21.811 ( -3.223 -1.185 -1.423) 3.717 22.046 ( 9.344 -2.796 -5.688) 11.291 22.136 ( 7.513 -2.433 -2.390) 8.250 22.282 ( -1.711 0.627 -11.399) 11.544 22.451 ( -11.511 3.569 -4.343) 12.810 22.743 ( 1.517 0.236 1.183) 1.938 22.798 ( -3.614 -0.684 1.503) 3.974 ======================= Grid point 63 (26/90) ======================= q-point: ( 0.00 -0.50 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 -13.166 9.196) 16.059 0.776 ( 0.000 13.166 9.196) 16.059 1.297 ( 0.000 -15.412 19.199) 24.620 1.297 ( 0.000 15.412 19.199) 24.620 1.901 ( 0.000 -2.456 2.351) 3.400 1.901 ( 0.000 2.456 2.351) 3.400 2.236 ( 0.000 -17.993 15.701) 23.880 2.236 ( 0.000 17.993 15.701) 23.880 3.096 ( 0.000 -12.855 4.999) 13.793 3.096 ( 0.000 12.855 4.999) 13.793 3.191 ( 0.000 -3.440 1.650) 3.815 3.191 ( 0.000 3.440 1.650) 3.815 3.909 ( 0.000 -7.348 -3.360) 8.080 3.909 ( 0.000 7.348 -3.360) 8.080 3.987 ( 0.000 -1.308 0.494) 1.398 3.987 ( 0.000 1.308 0.494) 1.398 4.241 ( 0.000 -7.914 -3.309) 8.578 4.241 ( 0.000 7.914 -3.309) 8.578 5.236 ( 0.000 -8.011 -12.517) 14.862 5.236 ( 0.000 8.011 -12.517) 14.862 5.619 ( 0.000 -1.058 -2.080) 2.334 5.619 ( 0.000 1.058 -2.080) 2.334 5.652 ( 0.000 -5.158 1.464) 5.362 5.652 ( 0.000 5.158 1.464) 5.362 6.321 ( 0.000 -6.202 -0.209) 6.206 6.321 ( 0.000 6.202 -0.209) 6.206 6.786 ( 0.000 -0.892 -5.276) 5.351 6.786 ( 0.000 0.892 -5.276) 5.351 6.951 ( 0.000 -3.027 7.031) 7.655 6.951 ( 0.000 3.027 7.031) 7.655 7.236 ( 0.000 -2.847 1.169) 3.078 7.236 ( 0.000 2.847 1.169) 3.078 7.669 ( 0.000 -9.302 10.564) 14.076 7.669 ( 0.000 9.302 10.564) 14.076 8.347 ( 0.000 -0.827 1.039) 1.328 8.347 ( 0.000 0.827 1.039) 1.328 8.982 ( 0.000 -3.361 0.704) 3.434 8.982 ( 0.000 3.361 0.704) 3.434 10.195 ( 0.000 -3.800 3.921) 5.461 10.195 ( 0.000 3.800 3.921) 5.461 10.487 ( 0.000 -6.372 -2.569) 6.870 10.487 ( 0.000 6.372 -2.569) 6.870 11.231 ( 0.000 -3.216 8.821) 9.389 11.231 ( 0.000 3.216 8.821) 9.389 12.308 ( 0.000 -3.576 2.087) 4.141 12.308 ( 0.000 3.576 2.087) 4.141 13.147 ( 0.000 -2.575 -15.593) 15.805 13.147 ( 0.000 2.575 -15.593) 15.805 15.019 ( 0.000 -3.012 8.396) 8.919 15.019 ( 0.000 3.012 8.396) 8.919 15.660 ( 0.000 -0.441 12.469) 12.477 15.660 ( 0.000 0.441 12.469) 12.477 15.925 ( 0.000 -1.595 1.379) 2.109 15.925 ( 0.000 1.595 1.379) 2.109 16.683 ( 0.000 -6.506 -7.009) 9.563 16.683 ( 0.000 6.506 -7.009) 9.563 17.273 ( 0.000 -8.616 19.670) 21.475 17.273 ( 0.000 8.616 19.670) 21.475 19.009 ( 0.000 -1.070 1.530) 1.866 19.009 ( 0.000 1.070 1.530) 1.866 19.132 ( 0.000 -0.498 -13.965) 13.973 19.132 ( 0.000 0.498 -13.965) 13.973 19.661 ( 0.000 -0.017 -0.535) 0.535 19.661 ( 0.000 0.017 -0.535) 0.535 21.045 ( 0.000 -0.605 4.828) 4.866 21.045 ( 0.000 0.605 4.828) 4.866 21.381 ( 0.000 -1.583 5.207) 5.443 21.381 ( 0.000 1.583 5.207) 5.443 22.899 ( 0.000 -1.741 -4.055) 4.413 22.899 ( 0.000 1.741 -4.055) 4.413 22.981 ( 0.000 -3.630 -12.450) 12.969 22.981 ( 0.000 3.630 -12.450) 12.969 ======================= Grid point 65 (27/90) ======================= q-point: ( 0.11 -0.50 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 16.674 0.000 5.258) 17.483 0.994 ( 13.157 0.000 6.611) 14.724 1.253 ( 4.168 -0.000 16.256) 16.781 1.484 ( 9.904 -0.000 9.808) 13.938 1.887 ( 5.533 -0.000 1.617) 5.764 2.085 ( 8.518 0.000 1.536) 8.656 2.221 ( 7.726 -0.000 18.860) 20.381 2.451 ( 14.013 0.000 12.263) 18.621 3.076 ( -5.545 0.000 -2.883) 6.250 3.092 ( 2.736 0.000 3.215) 4.222 3.205 ( 7.011 -0.000 6.764) 9.742 3.266 ( 1.525 0.000 2.982) 3.349 3.762 ( -7.090 0.000 -3.411) 7.868 3.872 ( -4.300 0.000 0.967) 4.408 4.026 ( 2.661 0.000 0.444) 2.698 4.028 ( -2.933 -0.000 -0.429) 2.964 4.267 ( 9.022 -0.000 -7.500) 11.733 4.374 ( 7.565 0.000 -1.073) 7.641 5.189 ( -3.856 0.000 -10.667) 11.342 5.191 ( -4.004 -0.000 -10.371) 11.117 5.598 ( -3.724 -0.000 2.443) 4.454 5.608 ( -1.658 0.000 -0.960) 1.916 5.629 ( -1.900 0.000 -0.252) 1.917 5.644 ( 0.809 0.000 -1.789) 1.964 6.265 ( -6.187 -0.000 -1.482) 6.362 6.269 ( -4.946 0.000 3.169) 5.874 6.666 ( -3.402 0.000 -3.845) 5.134 6.872 ( 0.268 0.000 -6.097) 6.103 6.983 ( 1.902 0.000 3.792) 4.243 7.008 ( 5.894 -0.000 5.178) 7.845 7.199 ( -2.051 0.000 1.078) 2.317 7.255 ( 0.346 0.000 1.955) 1.986 7.611 ( -2.136 0.000 12.198) 12.383 7.710 ( 0.879 -0.000 8.754) 8.798 8.381 ( 3.296 0.000 0.846) 3.403 8.386 ( 3.641 -0.000 0.765) 3.720 8.950 ( -2.061 0.000 0.093) 2.063 8.979 ( -1.017 0.000 1.728) 2.005 10.145 ( -0.640 0.000 7.986) 8.012 10.249 ( 1.798 0.000 -9.537) 9.705 10.465 ( -0.837 -0.000 -10.756) 10.789 10.533 ( 2.709 0.000 9.552) 9.929 11.156 ( -3.074 0.000 6.817) 7.479 11.290 ( 1.220 0.000 10.499) 10.570 12.292 ( -1.312 0.000 2.314) 2.660 12.300 ( -1.093 0.000 1.983) 2.264 12.996 ( -12.494 0.000 -10.576) 16.369 12.999 ( -13.117 0.000 -10.475) 16.786 14.984 ( -1.346 0.000 8.005) 8.117 15.045 ( 0.719 0.000 7.929) 7.962 15.486 ( -6.768 0.000 9.324) 11.521 15.718 ( -3.773 0.000 20.225) 20.574 15.913 ( -0.377 0.000 0.811) 0.895 15.960 ( 2.333 0.000 2.318) 3.288 16.593 ( -5.163 -0.000 -1.767) 5.457 16.684 ( -12.091 0.000 0.228) 12.093 17.032 ( 9.218 0.000 -5.356) 10.661 17.699 ( 17.267 0.000 18.089) 25.007 18.871 ( -14.811 0.000 -9.992) 17.866 18.981 ( -3.455 -0.000 -0.624) 3.511 19.018 ( 0.151 0.000 2.310) 2.315 19.051 ( -12.308 0.000 -2.891) 12.643 19.631 ( 0.607 0.000 -2.954) 3.016 19.717 ( 2.065 0.000 -0.234) 2.078 21.166 ( 13.623 0.000 -1.976) 13.765 21.200 ( 9.315 -0.000 0.446) 9.325 21.439 ( 6.551 -0.000 4.843) 8.147 21.513 ( 10.849 0.000 6.129) 12.460 22.807 ( -10.935 -0.000 -13.737) 17.558 22.853 ( -3.094 0.000 -5.129) 5.990 22.912 ( -0.166 0.000 -2.910) 2.914 23.000 ( -3.055 0.000 -6.424) 7.114 ======================= Grid point 67 (28/90) ======================= q-point: ( 0.22 -0.50 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 8.364 0.000 3.700) 9.146 1.269 ( 13.663 -0.000 6.000) 14.923 1.438 ( 12.898 -0.000 5.991) 14.221 1.694 ( 13.446 -0.000 -3.313) 13.848 2.097 ( 14.065 0.000 -1.068) 14.106 2.252 ( 9.875 0.000 12.626) 16.029 2.472 ( 13.738 0.000 4.363) 14.414 2.763 ( 16.352 0.000 8.733) 18.538 2.974 ( -4.794 0.000 -7.643) 9.022 3.195 ( 7.067 0.000 3.673) 7.964 3.242 ( -3.673 0.000 1.928) 4.148 3.345 ( 6.401 -0.000 6.566) 9.170 3.651 ( -3.959 0.000 -2.006) 4.438 3.783 ( -4.152 0.000 2.863) 5.043 3.925 ( -6.428 0.000 -2.035) 6.742 4.064 ( 0.533 0.000 5.025) 5.053 4.480 ( 10.936 0.000 -7.782) 13.422 4.543 ( 9.730 0.000 -1.439) 9.836 5.104 ( -4.252 0.000 -8.622) 9.614 5.120 ( -2.415 -0.000 -8.028) 8.383 5.496 ( -5.844 -0.000 3.224) 6.674 5.520 ( -6.356 0.000 5.131) 8.168 5.606 ( -1.198 0.000 -5.833) 5.955 5.669 ( 1.574 0.000 -1.009) 1.869 6.086 ( -11.201 -0.000 -1.831) 11.350 6.133 ( -8.199 0.000 5.628) 9.945 6.647 ( 0.867 0.000 -5.053) 5.127 6.852 ( -1.631 0.000 -1.419) 2.162 7.010 ( 0.570 0.000 2.202) 2.274 7.096 ( 2.057 -0.000 -0.964) 2.272 7.162 ( -1.453 0.000 1.148) 1.852 7.250 ( -0.779 0.000 2.934) 3.036 7.599 ( 0.851 0.000 12.194) 12.224 7.709 ( -0.687 -0.000 8.443) 8.471 8.464 ( 4.632 0.000 0.352) 4.646 8.475 ( 4.849 -0.000 0.349) 4.862 8.912 ( -1.584 0.000 0.609) 1.697 8.949 ( -1.835 0.000 2.703) 3.267 10.183 ( 4.187 0.000 3.703) 5.590 10.273 ( 0.827 0.000 -17.163) 17.183 10.443 ( -1.440 0.000 -12.713) 12.794 10.579 ( 1.538 0.000 13.666) 13.752 11.116 ( -1.048 0.000 5.717) 5.813 11.267 ( -3.341 0.000 9.188) 9.777 12.259 ( -1.919 -0.000 3.143) 3.683 12.264 ( -2.360 0.000 1.997) 3.091 12.737 ( -11.258 -0.000 -3.748) 11.865 12.748 ( -10.855 0.000 -3.858) 11.520 14.972 ( 0.031 0.000 6.815) 6.815 15.050 ( -0.216 0.000 7.770) 7.773 15.400 ( -2.301 0.000 9.119) 9.404 15.588 ( -7.064 0.000 20.846) 22.010 15.907 ( -0.317 0.000 -1.185) 1.226 16.011 ( 2.538 0.000 3.724) 4.506 16.439 ( -9.801 -0.000 -0.066) 9.801 16.460 ( -7.933 0.000 -0.212) 7.936 17.353 ( 17.923 0.000 -14.458) 23.028 17.953 ( 8.686 0.000 11.296) 14.249 18.612 ( -10.911 -0.000 -4.843) 11.938 18.712 ( -15.159 0.000 -0.266) 15.161 18.974 ( -1.148 0.000 2.132) 2.421 19.015 ( -0.435 0.000 3.177) 3.207 19.655 ( 1.475 0.000 -3.923) 4.191 19.745 ( 0.866 0.000 -0.028) 0.867 21.389 ( 9.971 0.000 -2.895) 10.383 21.464 ( 14.158 0.000 -5.734) 15.276 21.618 ( 11.101 -0.000 4.006) 11.802 21.738 ( 10.386 0.000 3.201) 10.868 22.587 ( -10.629 0.000 -13.000) 16.792 22.781 ( -3.904 0.000 -5.801) 6.992 22.893 ( -1.685 0.000 -1.582) 2.311 22.894 ( -6.811 -0.000 -0.520) 6.831 ======================= Grid point 69 (29/90) ======================= q-point: ( 0.33 -0.50 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 3.504 0.000 3.037) 4.637 1.395 ( 1.303 -0.000 3.939) 4.149 1.735 ( 16.222 0.000 -0.130) 16.223 2.047 ( 19.235 -0.000 -2.037) 19.343 2.377 ( 12.827 0.000 -4.233) 13.508 2.424 ( 5.173 0.000 9.951) 11.215 2.713 ( 9.290 0.000 -4.950) 10.526 2.903 ( -0.300 -0.000 -9.449) 9.454 3.044 ( 7.892 0.000 5.817) 9.804 3.119 ( -5.586 0.000 -2.956) 6.320 3.367 ( 9.314 0.000 6.283) 11.235 3.445 ( 3.793 -0.000 3.630) 5.250 3.608 ( -0.519 0.000 0.375) 0.641 3.721 ( -1.748 0.000 3.781) 4.165 3.786 ( -7.168 0.000 -0.134) 7.169 4.027 ( -4.370 0.000 10.465) 11.341 4.688 ( 9.854 0.000 -9.303) 13.552 4.763 ( 11.867 0.000 -0.999) 11.909 5.030 ( -3.328 0.000 -9.075) 9.666 5.106 ( 1.010 0.000 -7.005) 7.077 5.379 ( -7.198 0.000 6.607) 9.771 5.389 ( -4.398 0.000 2.759) 5.192 5.570 ( -2.417 0.000 -6.838) 7.252 5.705 ( 2.029 0.000 0.536) 2.098 5.842 ( -12.734 -0.000 -3.222) 13.136 5.967 ( -7.857 0.000 6.792) 10.386 6.686 ( 2.841 0.000 -4.245) 5.108 6.821 ( -1.324 0.000 -0.925) 1.615 6.999 ( -1.549 0.000 1.920) 2.467 7.073 ( -3.580 -0.000 0.031) 3.580 7.159 ( 0.722 0.000 1.171) 1.376 7.227 ( -1.458 0.000 3.490) 3.782 7.629 ( 1.828 0.000 11.130) 11.279 7.693 ( -0.690 0.000 8.830) 8.857 8.551 ( 3.874 0.000 -0.158) 3.877 8.563 ( 3.708 -0.000 -0.074) 3.709 8.888 ( -0.861 0.000 2.094) 2.264 8.913 ( -1.640 0.000 3.414) 3.787 10.290 ( 1.063 -0.000 -18.312) 18.343 10.292 ( 6.234 0.000 -0.187) 6.237 10.407 ( -2.069 0.000 -12.359) 12.531 10.583 ( -1.281 0.000 11.293) 11.365 11.109 ( 0.222 -0.000 5.169) 5.174 11.188 ( -3.719 0.000 6.105) 7.148 12.214 ( -2.371 -0.000 2.520) 3.460 12.221 ( -1.839 0.000 4.298) 4.675 12.576 ( -5.175 0.000 -1.028) 5.277 12.587 ( -5.510 -0.000 -1.061) 5.611 14.981 ( 0.772 0.000 6.370) 6.416 15.039 ( -0.763 0.000 7.693) 7.731 15.378 ( -0.222 0.000 9.870) 9.873 15.476 ( -4.136 0.000 16.489) 17.000 15.900 ( -0.189 0.000 -2.191) 2.200 16.042 ( -0.125 -0.000 5.334) 5.335 16.302 ( -4.266 -0.000 -0.071) 4.266 16.306 ( -6.411 0.000 -1.398) 6.562 17.680 ( 14.483 0.000 -12.264) 18.978 18.061 ( 2.475 0.000 4.578) 5.204 18.435 ( -6.872 -0.000 -2.780) 7.413 18.467 ( -9.316 0.000 -0.923) 9.362 18.959 ( -0.342 0.000 2.945) 2.965 19.001 ( -0.944 0.000 3.912) 4.024 19.686 ( 1.566 0.000 -3.526) 3.858 19.752 ( -0.176 0.000 -0.480) 0.511 21.590 ( 9.712 -0.000 -3.774) 10.420 21.683 ( 7.679 0.000 -2.680) 8.134 21.874 ( 13.984 -0.000 0.590) 13.997 21.909 ( 6.854 0.000 -0.901) 6.913 22.394 ( -8.565 0.000 -12.938) 15.516 22.684 ( -7.359 0.000 -6.673) 9.934 22.769 ( -3.915 0.000 3.156) 5.028 22.847 ( -2.814 -0.000 -0.134) 2.817 ======================= Grid point 71 (30/90) ======================= q-point: ( 0.44 -0.50 0.10) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 1.420 0.000 2.089) 2.526 1.391 ( -0.914 -0.000 1.875) 2.086 2.051 ( 14.710 0.000 1.120) 14.753 2.266 ( -3.491 -0.000 10.072) 10.660 2.518 ( 9.592 0.000 -10.830) 14.467 2.574 ( 5.983 0.000 -6.015) 8.484 2.770 ( -0.111 0.000 -2.166) 2.169 2.887 ( -11.346 0.000 -0.322) 11.351 3.041 ( 10.037 0.000 -9.213) 13.624 3.169 ( -1.169 -0.000 -6.875) 6.973 3.512 ( 3.081 -0.000 3.096) 4.368 3.524 ( 4.154 0.000 6.274) 7.524 3.611 ( 0.454 0.000 1.067) 1.160 3.651 ( -4.702 0.000 -0.208) 4.706 3.752 ( 4.980 -0.000 10.362) 11.496 3.900 ( -7.966 0.000 12.772) 15.053 4.858 ( 6.809 0.000 -10.051) 12.140 4.955 ( -1.615 0.000 -8.708) 8.856 4.991 ( 7.489 0.000 -0.663) 7.518 5.122 ( -2.365 0.000 -3.502) 4.226 5.280 ( -0.317 -0.000 2.584) 2.603 5.326 ( -2.425 0.000 -0.082) 2.427 5.527 ( -0.764 0.000 -5.374) 5.428 5.608 ( -9.301 0.000 -4.650) 10.398 5.757 ( 3.111 0.000 3.628) 4.779 5.837 ( -5.170 0.000 5.973) 7.900 6.752 ( 3.419 0.000 -3.935) 5.213 6.799 ( -1.219 0.000 -2.833) 3.084 6.967 ( -0.916 0.000 3.406) 3.527 6.993 ( -3.527 -0.000 2.864) 4.543 7.176 ( 0.949 0.000 2.410) 2.590 7.198 ( -1.320 0.000 3.297) 3.552 7.662 ( 1.313 -0.000 9.929) 10.015 7.681 ( -0.680 0.000 9.209) 9.234 8.608 ( 1.663 0.000 -0.422) 1.716 8.613 ( 1.172 -0.000 -0.372) 1.229 8.879 ( -0.025 -0.000 3.253) 3.253 8.887 ( -0.901 0.000 3.651) 3.760 10.318 ( 1.716 0.000 -17.050) 17.136 10.356 ( -1.878 0.000 -16.115) 16.224 10.424 ( 5.637 0.000 3.413) 6.590 10.526 ( -4.285 0.000 6.581) 7.852 11.118 ( 0.600 -0.000 4.799) 4.836 11.137 ( -1.477 0.000 4.742) 4.966 12.183 ( -0.599 -0.000 3.530) 3.581 12.190 ( -1.129 0.000 4.421) 4.563 12.514 ( -1.329 0.000 -0.456) 1.405 12.518 ( -1.683 -0.000 -0.462) 1.745 15.000 ( 1.055 0.000 6.697) 6.779 15.021 ( -1.042 0.000 7.300) 7.374 15.386 ( 0.967 0.000 11.095) 11.137 15.416 ( -2.104 0.000 13.111) 13.278 15.917 ( 2.282 0.000 -0.526) 2.342 15.989 ( -4.359 0.000 3.327) 5.484 16.240 ( -0.606 0.000 -0.999) 1.168 16.251 ( -1.373 0.000 0.211) 1.389 17.921 ( 9.623 0.000 -7.359) 12.114 18.053 ( -3.463 0.000 -1.170) 3.655 18.339 ( -2.656 -0.000 -2.652) 3.754 18.341 ( -3.194 0.000 -2.742) 4.209 18.962 ( 0.603 0.000 3.938) 3.984 18.980 ( -1.092 0.000 4.273) 4.411 19.716 ( 1.406 0.000 -2.568) 2.928 19.740 ( -0.959 0.000 -1.432) 1.723 21.747 ( 5.189 -0.000 -2.421) 5.726 21.778 ( 1.878 0.000 -1.430) 2.360 22.026 ( 5.471 -0.000 -5.147) 7.512 22.094 ( 3.283 0.000 -1.703) 3.699 22.296 ( 3.084 0.000 -11.285) 11.699 22.488 ( -11.368 0.000 -5.227) 12.512 22.747 ( 0.932 0.000 1.961) 2.172 22.789 ( -2.835 0.000 1.198) 3.078 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 0.000 19.179) 19.179 1.103 ( 0.000 0.000 27.317) 27.317 1.430 ( 0.000 0.000 4.513) 4.513 1.595 ( 0.000 0.000 8.138) 8.138 2.229 ( 0.000 0.000 6.843) 6.843 2.241 ( 0.000 0.000 42.306) 42.306 2.389 ( 0.000 0.000 27.152) 27.152 2.453 ( 0.000 0.000 -21.505) 21.505 3.016 ( 0.000 0.000 5.530) 5.530 3.175 ( 0.000 0.000 -5.829) 5.829 3.195 ( 0.000 0.000 -7.521) 7.521 3.717 ( 0.000 0.000 -1.004) 1.004 3.723 ( 0.000 0.000 3.818) 3.818 3.792 ( 0.000 0.000 10.055) 10.055 4.019 ( 0.000 0.000 2.069) 2.069 4.077 ( 0.000 0.000 -1.578) 1.578 4.224 ( 0.000 0.000 -10.396) 10.396 4.582 ( 0.000 0.000 2.763) 2.763 4.606 ( 0.000 0.000 8.123) 8.123 4.989 ( 0.000 0.000 0.263) 0.263 5.540 ( 0.000 0.000 -1.323) 1.323 5.544 ( 0.000 0.000 -2.072) 2.072 5.553 ( 0.000 0.000 -4.534) 4.534 5.905 ( 0.000 0.000 6.657) 6.657 6.045 ( 0.000 0.000 -6.779) 6.779 6.509 ( 0.000 0.000 3.600) 3.600 6.668 ( 0.000 0.000 -5.201) 5.201 6.689 ( 0.000 0.000 0.953) 0.953 7.057 ( 0.000 0.000 4.652) 4.652 7.179 ( 0.000 0.000 2.564) 2.564 7.182 ( 0.000 0.000 3.498) 3.498 7.270 ( 0.000 0.000 -0.067) 0.067 7.562 ( 0.000 0.000 -0.960) 0.960 7.998 ( 0.000 0.000 -10.408) 10.408 8.325 ( 0.000 0.000 -1.214) 1.214 8.390 ( 0.000 0.000 -0.077) 0.077 8.941 ( 0.000 0.000 2.787) 2.787 9.066 ( 0.000 0.000 0.278) 0.278 9.902 ( 0.000 0.000 -24.381) 24.381 9.974 ( 0.000 0.000 -20.499) 20.499 10.513 ( 0.000 0.000 19.039) 19.039 11.107 ( 0.000 0.000 5.910) 5.910 11.265 ( 0.000 0.000 3.120) 3.120 11.607 ( 0.000 0.000 -10.508) 10.508 12.431 ( 0.000 0.000 0.455) 0.455 12.546 ( 0.000 0.000 1.203) 1.203 12.556 ( 0.000 0.000 7.218) 7.218 12.773 ( 0.000 0.000 -11.601) 11.601 15.191 ( 0.000 0.000 11.098) 11.098 15.370 ( 0.000 0.000 0.379) 0.379 15.864 ( 0.000 0.000 -0.975) 0.975 15.902 ( 0.000 0.000 10.119) 10.119 15.976 ( 0.000 0.000 6.843) 6.843 15.987 ( 0.000 0.000 1.259) 1.259 16.180 ( 0.000 0.000 0.733) 0.733 16.785 ( 0.000 0.000 -1.752) 1.752 17.320 ( 0.000 0.000 15.090) 15.090 18.372 ( 0.000 0.000 -0.382) 0.382 18.639 ( 0.000 0.000 -4.021) 4.021 18.871 ( 0.000 0.000 -14.860) 14.860 19.057 ( 0.000 0.000 3.253) 3.253 19.078 ( 0.000 0.000 2.842) 2.842 19.584 ( 0.000 0.000 -3.493) 3.493 19.632 ( 0.000 0.000 -2.896) 2.896 21.158 ( 0.000 0.000 8.457) 8.457 21.176 ( 0.000 0.000 7.065) 7.065 21.431 ( 0.000 0.000 3.445) 3.445 21.959 ( 0.000 0.000 -1.970) 1.970 22.062 ( 0.000 0.000 1.802) 1.802 22.758 ( 0.000 0.000 -6.631) 6.631 22.840 ( 0.000 0.000 -7.583) 7.583 22.844 ( 0.000 0.000 -8.742) 8.742 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.11 0.00 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 2.091 0.000 18.242) 18.362 1.085 ( -0.404 0.000 21.337) 21.341 1.559 ( 11.489 0.000 3.534) 12.020 1.697 ( 9.887 0.000 6.735) 11.964 2.132 ( -2.484 0.000 26.332) 26.449 2.319 ( 0.656 0.000 -10.525) 10.546 2.450 ( 6.603 0.000 -3.319) 7.390 2.655 ( 16.995 0.000 35.509) 39.366 2.991 ( -10.412 0.000 -3.180) 10.887 3.058 ( 4.020 0.000 4.022) 5.687 3.252 ( -0.397 0.000 -5.834) 5.848 3.628 ( -3.770 0.000 -0.908) 3.878 3.804 ( 1.071 0.000 9.560) 9.619 3.828 ( 2.788 0.000 -1.901) 3.375 3.968 ( -7.616 0.000 -3.540) 8.398 4.074 ( 6.568 0.000 1.381) 6.712 4.301 ( 4.437 0.000 -6.842) 8.155 4.616 ( 1.097 0.000 6.912) 6.998 4.628 ( 4.469 0.000 1.404) 4.684 4.972 ( -1.716 0.000 1.019) 1.996 5.490 ( -3.084 0.000 -4.933) 5.817 5.516 ( -2.704 0.000 -0.697) 2.793 5.596 ( 2.361 0.000 -0.933) 2.538 5.875 ( -2.907 0.000 5.710) 6.407 6.039 ( -1.523 0.000 -5.274) 5.489 6.448 ( -5.894 0.000 3.892) 7.063 6.600 ( -3.546 0.000 -1.838) 3.994 6.711 ( 0.564 0.000 -4.331) 4.367 7.102 ( 3.108 0.000 3.359) 4.576 7.169 ( -1.157 0.000 3.720) 3.896 7.178 ( 0.093 0.000 2.565) 2.566 7.280 ( 0.786 0.000 0.687) 1.044 7.575 ( 1.505 0.000 -0.714) 1.666 7.988 ( -1.130 0.000 -7.704) 7.787 8.356 ( 2.908 0.000 -1.438) 3.244 8.416 ( 2.488 0.000 -0.187) 2.495 8.929 ( -0.932 0.000 2.295) 2.477 9.058 ( -0.781 0.000 1.119) 1.365 9.872 ( -2.004 0.000 -24.182) 24.265 10.000 ( 1.588 0.000 -20.998) 21.058 10.496 ( -1.412 0.000 18.931) 18.984 11.110 ( 0.345 0.000 5.848) 5.858 11.263 ( -0.191 0.000 3.107) 3.113 11.445 ( -14.266 0.000 -2.767) 14.532 12.427 ( -0.301 0.000 0.165) 0.344 12.519 ( -3.194 0.000 8.424) 9.010 12.553 ( 0.498 0.000 1.332) 1.422 12.696 ( -7.205 0.000 -9.740) 12.116 15.184 ( -0.731 0.000 10.987) 11.011 15.323 ( -3.935 0.000 2.357) 4.587 15.741 ( -5.476 0.000 14.073) 15.101 15.846 ( -1.569 0.000 -1.685) 2.302 16.019 ( 2.878 0.000 1.694) 3.340 16.165 ( -1.275 0.000 1.271) 1.800 16.198 ( 7.803 0.000 9.410) 12.224 16.735 ( -4.991 0.000 -1.663) 5.261 17.122 ( -11.411 0.000 13.025) 17.317 18.350 ( -2.088 0.000 -0.540) 2.156 18.568 ( -6.019 0.000 4.408) 7.461 18.781 ( -8.179 0.000 -12.649) 15.063 19.046 ( -0.586 0.000 3.726) 3.772 19.092 ( 0.901 0.000 3.700) 3.808 19.563 ( -0.647 0.000 -4.087) 4.138 19.678 ( 2.842 0.000 -2.854) 4.027 21.216 ( 3.941 0.000 5.105) 6.449 21.216 ( 6.294 0.000 1.850) 6.560 21.501 ( 6.527 0.000 3.617) 7.462 22.045 ( -1.657 0.000 1.516) 2.246 22.075 ( 7.723 0.000 -7.864) 11.022 22.736 ( -1.722 0.000 -6.263) 6.496 22.807 ( -3.639 0.000 -8.178) 8.951 22.862 ( 1.658 0.000 -6.577) 6.783 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.22 0.00 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 5.268 0.000 9.866) 11.185 1.211 ( 12.106 0.000 9.058) 15.120 1.831 ( 14.696 0.000 2.004) 14.832 1.955 ( 14.003 0.000 2.614) 14.245 2.181 ( 6.577 0.000 14.632) 16.042 2.199 ( -7.525 0.000 -17.208) 18.781 2.707 ( 13.415 0.000 -0.355) 13.419 2.799 ( -8.510 0.000 -3.168) 9.080 2.939 ( 8.931 0.000 29.566) 30.885 3.170 ( 7.215 0.000 4.978) 8.765 3.207 ( -3.304 0.000 0.188) 3.310 3.569 ( -1.439 0.000 -3.658) 3.930 3.812 ( -4.645 0.000 0.093) 4.646 3.821 ( -2.331 0.000 -1.124) 2.588 3.843 ( -0.134 0.000 5.491) 5.492 4.254 ( 10.155 0.000 -3.515) 10.746 4.355 ( 0.732 0.000 -2.647) 2.746 4.654 ( 2.631 0.000 3.793) 4.616 4.746 ( 6.840 0.000 -1.254) 6.954 4.922 ( -3.223 0.000 2.269) 3.942 5.426 ( -3.139 0.000 -6.572) 7.283 5.447 ( -3.860 0.000 2.344) 4.516 5.640 ( 1.806 0.000 0.465) 1.865 5.797 ( -4.473 0.000 3.556) 5.714 5.949 ( -7.523 0.000 -0.243) 7.527 6.293 ( -9.182 0.000 4.895) 10.405 6.574 ( 1.079 0.000 -3.846) 3.994 6.719 ( 0.409 0.000 -6.330) 6.343 7.113 ( -2.056 0.000 2.800) 3.474 7.160 ( 0.007 0.000 2.337) 2.337 7.187 ( 0.783 0.000 2.951) 3.053 7.292 ( 0.212 0.000 2.032) 2.043 7.626 ( 3.452 0.000 -0.240) 3.460 7.950 ( -2.624 0.000 -2.478) 3.609 8.430 ( 4.235 0.000 -1.927) 4.653 8.479 ( 3.549 0.000 -0.567) 3.594 8.922 ( 0.500 0.000 1.886) 1.951 9.039 ( -0.965 0.000 2.833) 2.993 9.844 ( -0.568 0.000 -24.494) 24.501 10.017 ( -0.001 0.000 -21.272) 21.272 10.473 ( -0.416 0.000 17.655) 17.660 11.123 ( 1.065 0.000 5.609) 5.709 11.140 ( -14.629 0.000 6.614) 16.055 11.256 ( -0.523 0.000 3.089) 3.133 12.425 ( 0.182 0.000 -0.309) 0.358 12.446 ( -4.031 0.000 8.281) 9.210 12.521 ( -9.409 0.000 -5.546) 10.922 12.559 ( -0.092 0.000 1.412) 1.415 15.165 ( -1.006 0.000 10.382) 10.430 15.250 ( -2.957 0.000 5.373) 6.133 15.689 ( -0.497 0.000 16.186) 16.194 15.811 ( -1.592 0.000 -2.657) 3.097 16.089 ( 3.841 0.000 3.179) 4.986 16.138 ( -1.200 0.000 1.601) 2.001 16.144 ( -10.122 0.000 25.489) 27.426 16.595 ( -8.637 0.000 -1.508) 8.768 17.146 ( 12.324 0.000 -4.543) 13.135 18.297 ( -3.002 0.000 -0.997) 3.163 18.427 ( -7.966 0.000 6.493) 10.277 18.589 ( -10.210 0.000 -8.830) 13.498 19.040 ( 0.051 0.000 4.848) 4.848 19.105 ( 0.325 0.000 4.744) 4.755 19.569 ( 1.156 0.000 -4.816) 4.953 19.719 ( 1.119 0.000 -2.633) 2.861 21.328 ( 7.097 0.000 1.654) 7.287 21.401 ( 11.543 0.000 -5.527) 12.798 21.667 ( 9.577 0.000 2.713) 9.954 21.999 ( -2.869 0.000 1.106) 3.074 22.167 ( 1.193 0.000 -12.490) 12.546 22.703 ( -6.713 0.000 -6.681) 9.471 22.705 ( -1.121 0.000 -4.405) 4.545 22.883 ( 0.041 0.000 -5.057) 5.058 ======================= Grid point 93 (34/90) ======================= q-point: ( 0.33 0.00 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 9.440 0.000 0.429) 9.450 1.523 ( 17.953 0.000 -1.413) 18.009 1.944 ( -10.689 0.000 -9.478) 14.286 2.098 ( 10.460 0.000 0.433) 10.469 2.337 ( 16.557 0.000 -7.455) 18.158 2.351 ( 9.439 0.000 6.334) 11.368 2.642 ( -6.730 0.000 -3.071) 7.398 2.886 ( 3.729 0.000 -9.549) 10.252 2.986 ( -2.481 0.000 11.583) 11.845 3.123 ( -5.762 0.000 10.100) 11.628 3.340 ( 9.218 0.000 8.095) 12.268 3.595 ( 3.374 0.000 -1.667) 3.763 3.702 ( -4.946 0.000 -0.965) 5.039 3.767 ( -2.694 0.000 -0.615) 2.763 3.900 ( 4.848 0.000 7.852) 9.228 4.327 ( -3.607 0.000 2.022) 4.135 4.460 ( 10.599 0.000 -6.030) 12.194 4.710 ( 2.729 0.000 1.105) 2.945 4.854 ( -3.215 0.000 2.291) 3.948 4.861 ( 3.387 0.000 -3.840) 5.120 5.378 ( -1.282 0.000 -7.028) 7.144 5.388 ( -1.133 0.000 5.654) 5.766 5.616 ( -5.304 0.000 -2.577) 5.897 5.757 ( 1.807 0.000 4.693) 5.029 5.767 ( -9.967 0.000 4.638) 10.993 6.107 ( -9.016 0.000 6.314) 11.007 6.623 ( 3.315 0.000 -5.304) 6.255 6.727 ( 0.259 0.000 -6.804) 6.809 7.066 ( -2.153 0.000 3.406) 4.029 7.134 ( -2.477 0.000 1.166) 2.738 7.208 ( 1.286 0.000 3.470) 3.701 7.286 ( -0.767 0.000 3.122) 3.214 7.700 ( 3.763 0.000 0.045) 3.763 7.891 ( -3.135 0.000 0.548) 3.183 8.512 ( 3.679 0.000 -2.300) 4.339 8.545 ( 2.745 0.000 -1.206) 2.998 8.946 ( 1.661 0.000 3.298) 3.692 9.022 ( -0.829 0.000 4.530) 4.605 9.852 ( 1.378 0.000 -24.382) 24.421 9.999 ( -1.809 0.000 -21.744) 21.819 10.493 ( 2.565 0.000 14.445) 14.671 10.890 ( -10.624 0.000 8.987) 13.916 11.152 ( 1.723 0.000 5.100) 5.383 11.242 ( -0.906 0.000 3.212) 3.337 12.356 ( -6.114 0.000 0.263) 6.120 12.364 ( -4.455 0.000 5.129) 6.793 12.437 ( 1.095 0.000 -0.477) 1.194 12.545 ( -1.288 0.000 1.142) 1.721 15.152 ( -0.236 0.000 9.233) 9.236 15.205 ( -1.751 0.000 6.783) 7.006 15.701 ( 1.397 0.000 18.487) 18.540 15.800 ( 0.872 0.000 -2.523) 2.669 15.946 ( -8.422 0.000 26.868) 28.157 16.090 ( -3.541 0.000 3.974) 5.323 16.176 ( 3.919 0.000 1.401) 4.162 16.422 ( -7.742 0.000 -0.859) 7.789 17.454 ( 16.527 0.000 -9.315) 18.971 18.243 ( -2.051 0.000 -1.779) 2.715 18.251 ( -9.833 0.000 1.817) 10.000 18.403 ( -8.058 0.000 -6.054) 10.078 19.048 ( 0.707 0.000 5.700) 5.744 19.104 ( -0.452 0.000 5.464) 5.483 19.603 ( 2.174 0.000 -4.747) 5.222 19.722 ( -0.714 0.000 -2.678) 2.771 21.485 ( 8.279 0.000 -1.034) 8.344 21.645 ( 12.347 0.000 -9.929) 15.844 21.835 ( 3.772 0.000 -2.310) 4.423 21.963 ( 2.638 0.000 3.557) 4.428 22.139 ( -3.561 0.000 -13.769) 14.222 22.545 ( -9.037 0.000 -4.555) 10.121 22.699 ( 0.660 0.000 -2.521) 2.606 22.859 ( -2.376 0.000 -3.673) 4.374 ======================= Grid point 94 (35/90) ======================= q-point: ( 0.44 0.00 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 11.098 0.000 -5.043) 12.190 1.717 ( -11.644 0.000 -8.051) 14.156 1.879 ( 16.874 0.000 -5.887) 17.871 2.143 ( -7.444 0.000 -4.551) 8.725 2.517 ( 6.544 0.000 -0.857) 6.600 2.579 ( -0.168 0.000 2.111) 2.117 2.649 ( 13.728 0.000 -10.138) 17.066 2.855 ( -6.467 0.000 -11.861) 13.510 2.930 ( -1.086 0.000 7.357) 7.437 2.991 ( -6.334 0.000 10.970) 12.667 3.501 ( 6.615 0.000 5.348) 8.506 3.610 ( -4.676 0.000 1.797) 5.009 3.662 ( 2.997 0.000 -1.239) 3.243 3.716 ( -2.562 0.000 -0.977) 2.742 4.038 ( 8.656 0.000 7.601) 11.520 4.211 ( -7.831 0.000 5.832) 9.764 4.671 ( 10.191 0.000 -6.486) 12.080 4.758 ( 2.176 0.000 0.183) 2.184 4.801 ( -2.248 0.000 1.012) 2.465 4.838 ( -5.656 0.000 -5.791) 8.095 5.391 ( 2.857 0.000 -6.446) 7.051 5.432 ( 5.394 0.000 7.824) 9.503 5.488 ( -6.401 0.000 -5.140) 8.209 5.577 ( -8.753 0.000 7.559) 11.565 5.829 ( 4.862 0.000 6.081) 7.786 5.947 ( -6.956 0.000 6.823) 9.744 6.688 ( 2.760 0.000 -6.526) 7.086 6.723 ( -0.838 0.000 -6.869) 6.920 7.044 ( 0.218 0.000 3.574) 3.581 7.077 ( -2.781 0.000 2.277) 3.594 7.236 ( 1.462 0.000 3.748) 4.023 7.264 ( -1.346 0.000 3.670) 3.909 7.770 ( 3.190 0.000 0.419) 3.217 7.830 ( -2.983 0.000 0.916) 3.120 8.568 ( 1.801 0.000 -2.293) 2.916 8.580 ( 0.637 0.000 -1.876) 1.981 8.979 ( 1.511 0.000 5.251) 5.464 9.004 ( -1.031 0.000 5.633) 5.727 9.894 ( 2.668 0.000 -23.613) 23.763 9.951 ( -2.822 0.000 -22.581) 22.756 10.575 ( 5.517 0.000 11.109) 12.403 10.708 ( -7.835 0.000 9.436) 12.265 11.188 ( 1.786 0.000 4.367) 4.718 11.219 ( -1.368 0.000 3.653) 3.901 12.278 ( -1.395 0.000 2.144) 2.558 12.293 ( -2.551 0.000 4.455) 5.133 12.468 ( 1.942 0.000 -0.147) 1.947 12.510 ( -2.102 0.000 0.525) 2.167 15.156 ( 0.666 0.000 8.231) 8.258 15.176 ( -1.243 0.000 7.509) 7.611 15.742 ( 2.779 0.000 21.255) 21.436 15.816 ( -4.881 0.000 24.179) 24.667 15.857 ( 4.843 0.000 -1.198) 4.989 15.980 ( -6.829 0.000 1.142) 6.924 16.248 ( 3.198 0.000 1.997) 3.770 16.311 ( -3.691 0.000 1.110) 3.854 17.767 ( 14.647 0.000 -7.711) 16.553 18.033 ( -12.096 0.000 -3.601) 12.621 18.227 ( 0.701 0.000 -2.916) 2.999 18.278 ( -4.437 0.000 -4.299) 6.178 19.066 ( 1.103 0.000 6.017) 6.118 19.088 ( -1.017 0.000 5.896) 5.983 19.650 ( 2.428 0.000 -4.048) 4.721 19.695 ( -1.938 0.000 -3.215) 3.754 21.645 ( 7.608 0.000 -2.477) 8.001 21.780 ( -5.773 0.000 -3.043) 6.526 21.870 ( 9.966 0.000 -12.629) 16.087 22.036 ( -6.699 0.000 -13.787) 15.328 22.134 ( 10.823 0.000 1.233) 10.893 22.349 ( -10.540 0.000 -1.914) 10.713 22.733 ( 2.664 0.000 -1.872) 3.256 22.797 ( -3.520 0.000 -2.478) 4.305 ======================= Grid point 99 (36/90) ======================= q-point: ( 0.00 0.25 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 -7.286 9.665) 12.104 0.968 ( 0.000 -6.329 14.759) 16.059 1.502 ( 0.000 1.403 14.275) 14.344 1.778 ( 0.000 14.810 8.589) 17.120 1.997 ( 0.000 -24.208 4.070) 24.547 2.218 ( 0.000 -3.918 14.001) 14.539 2.374 ( 0.000 13.968 29.888) 32.991 2.649 ( 0.000 5.052 9.043) 10.359 3.053 ( 0.000 4.817 7.118) 8.595 3.168 ( 0.000 0.170 -2.723) 2.728 3.191 ( 0.000 -0.592 -6.835) 6.861 3.548 ( 0.000 -13.472 8.920) 16.157 3.749 ( 0.000 4.053 0.316) 4.066 3.890 ( 0.000 4.968 4.919) 6.992 4.018 ( 0.000 -0.128 1.905) 1.910 4.092 ( 0.000 1.719 -2.168) 2.767 4.215 ( 0.000 -1.672 -9.147) 9.298 4.225 ( 0.000 -17.696 7.290) 19.139 4.910 ( 0.000 12.782 -0.864) 12.811 5.039 ( 0.000 3.722 -3.453) 5.077 5.546 ( 0.000 0.793 -2.147) 2.289 5.557 ( 0.000 0.306 -4.061) 4.072 5.580 ( 0.000 3.364 -1.485) 3.677 5.805 ( 0.000 -7.143 1.412) 7.281 6.162 ( 0.000 8.723 -1.530) 8.856 6.455 ( 0.000 -5.188 2.580) 5.794 6.685 ( 0.000 1.519 -4.006) 4.284 6.703 ( 0.000 0.944 0.391) 1.022 7.059 ( 0.000 0.510 4.993) 5.019 7.149 ( 0.000 -3.052 4.018) 5.045 7.204 ( 0.000 2.282 1.822) 2.920 7.269 ( 0.000 -0.428 -0.074) 0.434 7.607 ( 0.000 4.874 -0.764) 4.933 7.919 ( 0.000 -7.711 -6.800) 10.281 8.334 ( 0.000 0.900 -1.118) 1.436 8.380 ( 0.000 -0.972 -0.308) 1.020 8.960 ( 0.000 1.848 2.507) 3.114 9.049 ( 0.000 -1.741 0.691) 1.874 9.901 ( 0.000 0.143 -23.007) 23.008 9.953 ( 0.000 -1.926 -20.475) 20.565 10.568 ( 0.000 5.796 18.030) 18.939 10.986 ( 0.000 -12.102 9.809) 15.578 11.287 ( 0.000 2.344 3.191) 3.959 11.479 ( 0.000 -8.931 -0.992) 8.986 12.377 ( 0.000 -3.989 6.438) 7.573 12.402 ( 0.000 -2.517 0.939) 2.687 12.795 ( 0.000 8.961 -7.178) 11.482 12.816 ( 0.000 3.603 -11.674) 12.217 15.180 ( 0.000 -0.868 10.316) 10.353 15.266 ( 0.000 -7.182 4.111) 8.275 15.875 ( 0.000 0.787 4.043) 4.119 15.898 ( 0.000 -0.384 9.808) 9.815 15.966 ( 0.000 -0.212 6.672) 6.676 15.982 ( 0.000 -0.501 1.972) 2.035 16.342 ( 0.000 12.859 -4.303) 13.560 16.728 ( 0.000 -5.779 -2.584) 6.330 17.407 ( 0.000 8.946 16.052) 18.377 18.048 ( 0.000 -22.997 12.566) 26.207 18.768 ( 0.000 6.076 -11.377) 12.898 18.864 ( 0.000 -0.737 -14.771) 14.789 19.050 ( 0.000 -0.242 3.181) 3.190 19.071 ( 0.000 -0.682 2.918) 2.997 19.600 ( 0.000 1.248 -3.652) 3.860 19.629 ( 0.000 -0.291 -3.044) 3.057 21.163 ( 0.000 0.504 8.306) 8.321 21.178 ( 0.000 0.019 7.217) 7.217 21.442 ( 0.000 1.247 3.901) 4.095 21.648 ( 0.000 -12.842 6.183) 14.252 22.458 ( 0.000 19.722 -10.125) 22.169 22.767 ( 0.000 0.919 -6.678) 6.741 22.817 ( 0.000 -1.906 -7.741) 7.972 22.831 ( 0.000 -2.035 -9.271) 9.492 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.11 0.25 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 6.308 -1.367 5.659) 8.584 1.149 ( 10.314 -2.648 15.798) 19.052 1.567 ( 5.540 0.592 8.298) 9.995 1.745 ( -1.329 4.088 14.569) 15.190 1.989 ( 3.537 -13.402 0.950) 13.893 2.236 ( 0.699 -6.153 4.040) 7.394 2.545 ( 11.866 10.125 11.320) 19.273 2.732 ( 8.874 3.793 26.042) 27.773 2.992 ( -9.124 0.923 -3.203) 9.714 3.109 ( 3.958 4.929 6.176) 8.838 3.254 ( 0.760 0.539 -3.914) 4.023 3.538 ( -1.131 -8.738 3.822) 9.605 3.770 ( 0.643 -1.720 7.045) 7.281 3.870 ( -0.924 2.627 0.052) 2.786 3.977 ( -7.337 0.975 -4.178) 8.499 4.098 ( 6.897 1.689 0.667) 7.132 4.253 ( 3.251 -10.653 3.508) 11.677 4.342 ( 8.229 -4.931 -3.073) 10.074 4.904 ( -0.361 11.310 -1.694) 11.442 5.020 ( -1.991 3.590 -1.925) 4.534 5.502 ( -2.648 1.063 -5.098) 5.843 5.551 ( -2.510 3.557 -0.612) 4.396 5.601 ( 2.279 0.420 -0.798) 2.452 5.787 ( -1.924 -6.795 2.245) 7.410 6.128 ( -3.851 6.750 -2.184) 8.073 6.409 ( -4.637 -3.713 3.649) 6.972 6.612 ( -3.935 0.904 -1.322) 4.249 6.726 ( 0.484 1.258 -4.367) 4.570 7.092 ( 2.006 -0.868 3.832) 4.412 7.143 ( -0.178 -1.725 3.696) 4.082 7.198 ( -0.547 1.325 2.261) 2.677 7.281 ( 0.937 -0.065 0.511) 1.069 7.620 ( 1.437 4.754 -0.219) 4.972 7.914 ( -0.609 -7.175 -4.768) 8.636 8.365 ( 2.954 0.931 -1.396) 3.397 8.409 ( 2.726 -0.758 -0.499) 2.873 8.941 ( -1.407 1.211 1.934) 2.681 9.044 ( -0.505 -1.276 1.669) 2.161 9.870 ( -1.959 -0.125 -23.326) 23.409 9.981 ( 1.683 -1.556 -20.489) 20.616 10.539 ( -2.433 4.313 18.033) 18.701 10.980 ( -0.753 -11.626 9.931) 15.308 11.257 ( -2.605 0.160 3.231) 4.153 11.431 ( -4.490 -1.029 0.603) 4.645 12.365 ( -0.992 -3.671 4.803) 6.126 12.405 ( 0.085 -3.586 2.563) 4.408 12.736 ( -5.002 7.355 -4.411) 9.929 12.744 ( -6.593 4.097 -9.141) 11.992 15.171 ( -0.919 -1.201 10.187) 10.299 15.248 ( -1.434 -5.151 5.078) 7.374 15.738 ( -5.680 -0.195 14.095) 15.197 15.875 ( -1.575 1.865 -0.152) 2.446 16.013 ( 3.040 -0.520 1.865) 3.604 16.113 ( 3.553 -1.423 10.746) 11.407 16.366 ( 1.385 11.533 -2.496) 11.881 16.695 ( -3.357 -4.220 -3.068) 6.204 17.150 ( -14.695 2.504 14.723) 20.952 18.140 ( 4.812 -13.419 8.850) 16.779 18.648 ( -8.349 2.664 -6.846) 11.121 18.824 ( -6.588 3.614 -10.161) 12.637 19.047 ( -0.167 0.130 3.113) 3.120 19.086 ( 0.966 -0.529 3.676) 3.838 19.566 ( -1.035 0.230 -3.890) 4.032 19.680 ( 2.723 0.142 -2.997) 4.052 21.194 ( 5.104 -0.915 3.784) 6.419 21.236 ( 4.739 0.789 3.631) 6.022 21.513 ( 6.655 1.346 4.039) 7.900 21.748 ( 7.477 -12.213 3.436) 14.726 22.398 ( -5.241 14.043 -10.462) 18.279 22.734 ( -2.797 -0.331 -6.688) 7.257 22.807 ( -1.329 0.286 -7.630) 7.750 22.856 ( 1.673 -0.726 -7.141) 7.370 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.22 0.25 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 10.934 5.215 0.454) 12.123 1.318 ( 8.661 7.025 12.759) 16.945 1.699 ( 8.084 -12.321 -3.521) 15.151 1.826 ( 7.188 -9.486 11.514) 16.560 2.095 ( 5.228 -4.148 -6.295) 9.174 2.291 ( 7.904 1.667 -0.212) 8.081 2.773 ( 10.481 6.794 1.878) 12.630 2.808 ( -8.866 0.493 -4.693) 10.044 2.926 ( 7.379 -0.682 25.481) 26.536 3.219 ( -1.649 2.067 -0.544) 2.700 3.242 ( 6.614 5.829 9.122) 12.686 3.514 ( -0.465 -4.459 -0.950) 4.582 3.762 ( -1.018 -5.167 5.453) 7.581 3.815 ( -5.286 0.156 -0.942) 5.372 3.882 ( -1.353 2.875 1.962) 3.734 4.245 ( 5.722 -3.017 -1.340) 6.606 4.333 ( 5.453 -1.840 -0.117) 5.756 4.524 ( 10.001 -3.623 -0.051) 10.637 4.904 ( 0.494 7.808 -3.210) 8.457 4.962 ( -3.614 3.139 0.173) 4.790 5.447 ( -2.764 1.781 -6.623) 7.394 5.481 ( -4.191 3.464 2.085) 5.823 5.643 ( 1.302 0.149 0.752) 1.511 5.730 ( -3.071 -5.486 3.520) 7.205 5.992 ( -9.685 2.983 -1.728) 10.280 6.280 ( -7.892 -1.074 5.848) 9.881 6.575 ( 0.409 0.004 -3.263) 3.289 6.730 ( 0.049 0.915 -6.589) 6.652 7.096 ( -1.288 -1.365 3.119) 3.640 7.149 ( -0.230 -0.885 2.824) 2.969 7.190 ( 0.162 0.172 2.480) 2.491 7.295 ( 0.300 0.217 1.766) 1.804 7.664 ( 2.803 3.935 0.504) 4.858 7.892 ( -1.591 -5.568 -0.973) 5.872 8.441 ( 4.271 0.989 -1.949) 4.797 8.477 ( 3.759 -0.354 -0.946) 3.892 8.925 ( 0.113 0.325 1.588) 1.625 9.031 ( -0.813 -0.783 3.381) 3.565 9.844 ( -0.447 0.001 -24.041) 24.045 10.003 ( 0.377 -1.162 -20.792) 20.828 10.496 ( -1.381 2.009 16.932) 17.107 10.944 ( -3.311 -9.182 10.133) 14.069 11.206 ( -2.065 0.989 3.743) 4.387 11.328 ( -5.028 4.667 2.301) 7.236 12.340 ( -1.598 -3.973 3.155) 5.319 12.394 ( -1.429 -3.876 3.942) 5.711 12.596 ( -7.014 4.966 -4.522) 9.711 12.634 ( -4.672 4.015 -1.063) 6.252 15.150 ( -0.860 -1.292 9.615) 9.740 15.221 ( -1.177 -2.023 6.529) 6.936 15.678 ( -0.868 -0.695 16.389) 16.427 15.838 ( -1.929 1.776 -1.328) 2.939 16.083 ( -0.681 -0.723 11.314) 11.357 16.089 ( -0.356 -0.938 9.613) 9.666 16.284 ( -7.771 9.356 6.323) 13.708 16.564 ( -9.081 -3.381 -0.684) 9.714 17.146 ( 12.324 0.007 -4.546) 13.135 18.184 ( -0.078 -6.771 4.207) 7.972 18.483 ( -7.989 1.872 -3.313) 8.849 18.629 ( -11.501 3.563 -4.965) 13.024 19.044 ( 0.009 0.400 4.819) 4.835 19.100 ( 0.347 -0.482 4.692) 4.729 19.569 ( 1.134 0.006 -4.781) 4.913 19.719 ( 1.050 -0.043 -2.637) 2.839 21.336 ( 7.751 0.835 0.668) 7.824 21.388 ( 10.778 -1.244 -4.414) 11.713 21.680 ( 9.551 1.444 3.043) 10.127 21.868 ( 4.027 -8.091 0.526) 9.053 22.277 ( -6.549 6.084 -11.220) 14.346 22.663 ( -4.466 -1.522 -6.494) 8.027 22.766 ( -2.469 3.557 -4.982) 6.600 22.871 ( -0.423 -1.312 -4.985) 5.172 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.33 0.25 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 5.566 1.973 0.726) 5.950 1.579 ( 13.901 3.291 1.261) 14.340 1.742 ( -2.197 -12.042 -8.049) 14.649 2.052 ( 15.657 -12.533 -0.753) 20.070 2.235 ( 7.451 4.515 -3.864) 9.530 2.520 ( 12.050 3.920 -1.526) 12.763 2.637 ( -7.209 -0.532 -7.543) 10.447 2.917 ( 2.736 3.148 -4.365) 6.037 2.972 ( -2.227 -0.820 11.722) 11.959 3.129 ( -4.961 1.511 6.114) 8.017 3.421 ( 8.633 6.950 9.002) 14.278 3.544 ( 3.225 -3.943 -0.104) 5.095 3.704 ( -4.168 -0.356 -0.630) 4.230 3.745 ( -2.260 -2.507 0.523) 3.415 3.896 ( 3.358 0.017 9.033) 9.637 4.271 ( -2.173 -4.514 3.559) 6.145 4.486 ( 8.657 1.058 -5.795) 10.471 4.721 ( 8.990 2.395 0.868) 9.344 4.876 ( -4.293 1.934 0.403) 4.726 4.932 ( 1.510 4.694 -5.003) 7.025 5.399 ( -2.282 2.104 -4.816) 5.730 5.404 ( -2.139 1.793 2.924) 4.043 5.592 ( -5.424 -2.829 1.596) 6.322 5.712 ( -3.576 -2.302 1.502) 4.511 5.795 ( -5.096 1.123 2.528) 5.798 6.114 ( -8.306 0.667 7.451) 11.178 6.612 ( 2.832 -0.980 -4.937) 5.776 6.727 ( -0.404 -0.029 -7.009) 7.021 7.062 ( -1.761 -0.265 3.411) 3.848 7.118 ( -2.464 -1.297 1.909) 3.376 7.208 ( 1.375 -0.063 3.237) 3.518 7.290 ( -0.776 0.287 2.930) 3.045 7.722 ( 2.800 2.214 0.599) 3.620 7.855 ( -2.034 -3.417 1.046) 4.112 8.522 ( 3.623 0.927 -2.333) 4.408 8.546 ( 2.911 0.007 -1.523) 3.286 8.944 ( 1.503 -0.160 2.983) 3.344 9.014 ( -0.790 -0.604 4.916) 5.016 9.855 ( 1.502 0.203 -24.143) 24.190 9.994 ( -1.309 -0.380 -21.812) 21.854 10.500 ( 1.982 0.581 14.189) 14.338 10.841 ( -6.718 -3.543 9.708) 12.326 11.185 ( -0.034 2.060 4.182) 4.662 11.253 ( -2.455 1.185 2.888) 3.971 12.299 ( -2.297 -3.254 2.111) 4.507 12.347 ( -2.925 -1.310 5.076) 6.003 12.500 ( -2.544 3.922 -1.304) 4.854 12.558 ( -3.056 0.796 -0.231) 3.167 15.143 ( 0.113 -0.727 8.798) 8.829 15.199 ( -1.134 -0.486 7.252) 7.356 15.686 ( 1.378 -0.995 18.461) 18.539 15.811 ( -0.469 0.716 0.309) 0.910 15.949 ( -6.770 0.325 22.918) 23.899 16.142 ( -3.200 3.556 6.585) 8.139 16.182 ( 1.198 1.779 -1.142) 2.430 16.391 ( -7.210 -3.175 -0.011) 7.878 17.455 ( 16.508 0.055 -9.366) 18.980 18.151 ( -3.357 -3.992 0.973) 5.305 18.334 ( -6.812 2.919 -2.669) 7.877 18.412 ( -9.445 1.048 -4.641) 10.576 19.050 ( 0.589 0.239 5.802) 5.837 19.099 ( -0.375 -0.387 5.425) 5.452 19.603 ( 2.166 -0.009 -4.743) 5.214 19.721 ( -0.708 -0.084 -2.656) 2.750 21.499 ( 8.450 1.441 -1.701) 8.739 21.616 ( 11.020 -2.642 -8.401) 14.107 21.844 ( 3.719 0.866 -2.883) 4.785 21.942 ( 6.649 -1.846 2.355) 7.291 22.146 ( -6.506 0.570 -11.770) 13.460 22.546 ( -7.479 0.014 -5.570) 9.325 22.730 ( -0.735 2.909 -2.346) 3.809 22.842 ( -2.293 -1.745 -3.550) 4.572 ======================= Grid point 103 (40/90) ======================= q-point: ( 0.44 0.25 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 7.086 -5.492 -3.090) 9.483 1.562 ( -7.616 -11.941 -4.002) 14.718 1.957 ( 16.142 6.254 -6.874) 18.626 2.232 ( -9.259 7.167 -6.078) 13.193 2.366 ( 13.719 -9.257 -6.622) 17.826 2.529 ( -2.163 -4.712 -2.542) 5.774 2.745 ( 6.338 2.681 -6.771) 9.654 2.837 ( -6.306 -1.713 -7.660) 10.069 2.958 ( 1.719 2.715 10.324) 10.813 3.042 ( -4.606 5.226 4.420) 8.251 3.554 ( 4.754 4.646 5.043) 8.344 3.610 ( 1.821 -2.531 1.336) 3.392 3.637 ( -1.526 0.524 0.681) 1.751 3.688 ( -3.289 -2.097 0.672) 3.958 4.019 ( 8.195 -1.805 9.763) 12.873 4.178 ( -6.894 -2.882 7.367) 10.493 4.650 ( 7.508 -0.556 -6.214) 9.762 4.776 ( -5.104 -0.004 -3.064) 5.952 4.869 ( 5.261 8.034 -1.467) 9.714 4.943 ( -1.494 6.716 -4.402) 8.168 5.393 ( 2.768 -0.159 -2.089) 3.471 5.409 ( 2.538 -1.192 3.408) 4.414 5.479 ( -5.329 -1.270 -1.841) 5.779 5.530 ( -9.169 -3.737 4.033) 10.691 5.843 ( 5.007 1.078 6.167) 8.017 5.962 ( -6.875 1.218 7.420) 10.188 6.671 ( 2.687 -1.472 -6.249) 6.959 6.711 ( -1.341 -1.082 -6.849) 7.063 7.041 ( 0.021 -0.143 3.639) 3.642 7.066 ( -2.309 -0.850 2.765) 3.702 7.238 ( 1.527 0.141 3.623) 3.935 7.267 ( -1.381 0.241 3.565) 3.831 7.772 ( 2.272 0.362 0.685) 2.400 7.814 ( -2.029 -1.426 1.082) 2.706 8.576 ( 1.656 0.699 -2.368) 2.973 8.584 ( 0.816 0.361 -2.061) 2.246 8.974 ( 1.408 -0.369 5.015) 5.222 8.998 ( -0.962 -0.521 5.701) 5.805 9.898 ( 2.707 0.352 -23.545) 23.702 9.954 ( -2.609 0.227 -22.720) 22.871 10.573 ( 5.234 -0.111 11.114) 12.285 10.699 ( -7.093 -0.752 9.553) 11.922 11.197 ( 0.987 0.773 3.992) 4.184 11.219 ( -1.271 -0.041 3.470) 3.696 12.270 ( -0.222 -0.729 3.204) 3.293 12.293 ( -2.251 0.043 4.741) 5.248 12.482 ( 0.461 1.182 -0.621) 1.412 12.509 ( -1.980 -0.170 -0.235) 2.001 15.153 ( 0.895 -0.230 8.099) 8.152 15.175 ( -1.204 -0.044 7.641) 7.736 15.727 ( 2.692 -1.096 20.638) 20.841 15.789 ( -3.030 -1.393 18.426) 18.725 15.896 ( 2.829 2.349 4.061) 5.479 16.011 ( -7.477 2.630 1.337) 8.038 16.242 ( 2.918 -0.512 2.061) 3.609 16.296 ( -2.989 -1.376 1.795) 3.748 17.766 ( 14.455 -0.083 -7.638) 16.349 18.018 ( -10.352 -1.134 -3.278) 10.918 18.246 ( -1.176 1.544 -3.404) 3.919 18.277 ( -4.072 -0.074 -4.314) 5.933 19.067 ( 0.973 0.020 6.082) 6.159 19.086 ( -0.896 -0.204 5.903) 5.974 19.650 ( 2.413 -0.029 -4.036) 4.702 19.694 ( -1.919 -0.059 -3.195) 3.728 21.659 ( 7.254 1.433 -2.912) 7.947 21.758 ( -0.399 -2.275 -4.374) 4.947 21.873 ( 4.693 0.608 -10.071) 11.128 22.003 ( -6.421 -2.768 -11.948) 13.844 22.152 ( 10.838 1.364 -0.111) 10.925 22.368 ( -10.223 1.406 -3.164) 10.793 22.741 ( 1.677 0.830 -1.789) 2.589 22.788 ( -2.830 -0.862 -2.457) 3.846 ======================= Grid point 108 (41/90) ======================= q-point: ( 0.00 -0.50 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 -0.484 2.900) 2.940 0.904 ( 0.000 0.484 2.900) 2.940 1.603 ( 0.000 -13.618 12.541) 18.513 1.603 ( 0.000 13.618 12.541) 18.513 2.054 ( 0.000 -12.595 9.213) 15.605 2.054 ( 0.000 12.595 9.213) 15.605 2.618 ( 0.000 -8.092 21.494) 22.967 2.618 ( 0.000 8.092 21.494) 22.967 3.166 ( 0.000 -1.528 -4.011) 4.292 3.166 ( 0.000 1.528 -4.011) 4.292 3.263 ( 0.000 -13.713 10.823) 17.470 3.263 ( 0.000 13.713 10.823) 17.470 3.880 ( 0.000 -7.814 3.572) 8.592 3.880 ( 0.000 7.814 3.572) 8.592 4.017 ( 0.000 -1.155 2.415) 2.677 4.017 ( 0.000 1.155 2.415) 2.677 4.155 ( 0.000 -2.773 -5.262) 5.948 4.155 ( 0.000 2.773 -5.262) 5.948 5.060 ( 0.000 -2.852 -5.242) 5.968 5.060 ( 0.000 2.852 -5.242) 5.968 5.559 ( 0.000 -0.084 -3.160) 3.161 5.559 ( 0.000 0.084 -3.160) 3.161 5.673 ( 0.000 -6.241 -0.703) 6.280 5.673 ( 0.000 6.241 -0.703) 6.280 6.327 ( 0.000 -7.889 0.799) 7.930 6.327 ( 0.000 7.889 0.799) 7.930 6.709 ( 0.000 -0.193 -1.591) 1.603 6.709 ( 0.000 0.193 -1.591) 1.603 7.088 ( 0.000 -2.589 5.040) 5.666 7.088 ( 0.000 2.589 5.040) 5.666 7.247 ( 0.000 -1.695 0.403) 1.742 7.247 ( 0.000 1.695 0.403) 1.742 7.746 ( 0.000 -9.213 -1.797) 9.386 7.746 ( 0.000 9.213 -1.797) 9.386 8.357 ( 0.000 -1.342 -0.782) 1.553 8.357 ( 0.000 1.342 -0.782) 1.553 9.005 ( 0.000 -2.513 1.649) 3.006 9.005 ( 0.000 2.513 1.649) 3.006 9.916 ( 0.000 -1.191 -21.066) 21.099 9.916 ( 0.000 1.191 -21.066) 21.099 10.736 ( 0.000 -11.536 15.831) 19.588 10.736 ( 0.000 11.536 15.831) 19.588 11.353 ( 0.000 -4.124 2.988) 5.093 11.353 ( 0.000 4.124 2.988) 5.093 12.360 ( 0.000 -1.270 2.909) 3.174 12.360 ( 0.000 1.270 2.909) 3.174 12.867 ( 0.000 -0.562 -11.431) 11.445 12.867 ( 0.000 0.562 -11.431) 11.445 15.180 ( 0.000 -1.537 8.177) 8.321 15.180 ( 0.000 1.537 8.177) 8.321 15.889 ( 0.000 -0.115 8.234) 8.234 15.889 ( 0.000 0.115 8.234) 8.234 15.971 ( 0.000 -0.252 4.053) 4.061 15.971 ( 0.000 0.252 4.053) 4.061 16.572 ( 0.000 -10.447 -4.547) 11.394 16.572 ( 0.000 10.447 -4.547) 11.394 17.655 ( 0.000 -14.216 17.435) 22.496 17.655 ( 0.000 14.216 17.435) 22.496 18.839 ( 0.000 -1.047 -14.166) 14.205 18.839 ( 0.000 1.047 -14.166) 14.205 19.056 ( 0.000 -0.562 3.113) 3.164 19.056 ( 0.000 0.562 3.113) 3.164 19.620 ( 0.000 -0.292 -3.403) 3.416 19.620 ( 0.000 0.292 -3.403) 3.416 21.174 ( 0.000 -0.146 7.794) 7.796 21.174 ( 0.000 0.146 7.794) 7.796 21.492 ( 0.000 -4.444 5.338) 6.946 21.492 ( 0.000 4.444 5.338) 6.946 22.726 ( 0.000 -8.126 -11.567) 14.136 22.726 ( 0.000 8.126 -11.567) 14.136 22.791 ( 0.000 -1.438 -6.932) 7.080 22.791 ( 0.000 1.438 -6.932) 7.080 ======================= Grid point 110 (42/90) ======================= q-point: ( 0.11 -0.50 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 13.059 0.000 -2.432) 13.284 1.103 ( 11.899 0.000 4.444) 12.702 1.576 ( -1.785 -0.000 5.934) 6.196 1.672 ( 4.003 0.000 21.187) 21.562 1.970 ( -2.703 0.000 6.943) 7.451 2.110 ( 4.745 0.000 0.718) 4.799 2.680 ( 8.087 0.000 9.615) 12.563 2.759 ( 8.802 0.000 28.628) 29.951 3.007 ( -9.151 0.000 -5.457) 10.655 3.212 ( 2.440 0.000 4.823) 5.405 3.290 ( 1.727 0.000 3.040) 3.496 3.361 ( 5.673 -0.000 8.410) 10.145 3.758 ( -5.382 0.000 5.455) 7.663 3.900 ( -2.236 -0.000 3.182) 3.889 4.001 ( -6.257 -0.000 -3.070) 6.969 4.064 ( 4.749 0.000 3.664) 5.998 4.144 ( 9.121 0.000 -1.716) 9.281 4.318 ( 8.358 0.000 -4.668) 9.574 5.024 ( -2.259 0.000 -5.869) 6.289 5.054 ( -1.674 0.000 -2.998) 3.433 5.515 ( -2.199 0.000 -5.388) 5.820 5.605 ( 2.530 0.000 -0.990) 2.717 5.631 ( -3.228 -0.000 -0.411) 3.254 5.674 ( -1.018 0.000 1.153) 1.538 6.222 ( -7.447 -0.000 -2.074) 7.730 6.347 ( -1.536 0.000 4.194) 4.466 6.622 ( -4.313 0.000 -0.837) 4.394 6.742 ( 0.447 0.000 -4.594) 4.616 7.080 ( 0.182 -0.000 4.549) 4.553 7.123 ( 1.653 0.000 4.146) 4.464 7.215 ( -1.507 0.000 1.242) 1.953 7.278 ( 1.369 0.000 0.478) 1.450 7.740 ( 0.465 0.000 0.646) 0.796 7.765 ( 0.832 -0.000 -2.185) 2.338 8.385 ( 2.895 0.000 -1.540) 3.279 8.391 ( 3.034 -0.000 -0.561) 3.085 8.960 ( -2.346 0.000 1.013) 2.556 9.025 ( 0.237 0.000 2.734) 2.744 9.869 ( -2.021 0.000 -22.443) 22.534 9.962 ( 1.912 0.000 -20.099) 20.190 10.615 ( -5.961 0.000 17.391) 18.385 10.818 ( 2.747 -0.000 13.321) 13.602 11.262 ( -3.673 0.000 3.292) 4.932 11.419 ( 0.867 0.000 2.193) 2.358 12.342 ( -1.494 0.000 2.037) 2.526 12.360 ( -0.273 0.000 4.159) 4.167 12.791 ( -6.274 0.000 -9.076) 11.033 12.804 ( -6.185 -0.000 -8.084) 10.179 15.154 ( -1.334 0.000 8.835) 8.935 15.196 ( 0.473 0.000 7.685) 7.699 15.736 ( -5.782 0.000 14.130) 15.268 15.894 ( -1.594 0.000 0.673) 1.730 16.006 ( 3.292 0.000 2.035) 3.871 16.102 ( 3.854 0.000 12.331) 12.919 16.554 ( -3.015 -0.000 -2.301) 3.793 16.585 ( 1.204 0.000 -7.387) 7.484 17.183 ( -18.803 0.000 16.641) 25.109 17.994 ( 10.768 0.000 11.519) 15.768 18.666 ( -9.098 0.000 -10.225) 13.687 18.866 ( -5.464 0.000 -9.617) 11.060 19.049 ( 0.294 0.000 2.498) 2.515 19.079 ( 0.997 0.000 3.817) 3.945 19.568 ( -1.331 0.000 -3.716) 3.947 19.682 ( 2.621 0.000 -3.125) 4.079 21.185 ( 4.939 0.000 4.041) 6.382 21.244 ( 4.485 0.000 3.849) 5.910 21.543 ( 6.517 -0.000 5.153) 8.308 21.615 ( 8.440 0.000 3.945) 9.317 22.541 ( -10.292 -0.000 -11.948) 15.769 22.726 ( -3.453 0.000 -7.322) 8.095 22.820 ( 0.816 0.000 -6.294) 6.347 22.840 ( 2.406 0.000 -8.461) 8.796 ======================= Grid point 112 (43/90) ======================= q-point: ( 0.22 -0.50 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 8.264 0.000 5.822) 10.109 1.357 ( 22.865 0.000 -9.256) 24.667 1.509 ( -4.577 -0.000 0.631) 4.621 1.706 ( 0.634 0.000 18.327) 18.338 2.055 ( 10.428 0.000 -2.594) 10.746 2.285 ( 12.311 0.000 -3.203) 12.721 2.812 ( -9.014 0.000 -4.175) 9.934 2.867 ( 8.935 -0.000 0.671) 8.960 2.915 ( 4.665 0.000 23.044) 23.512 3.245 ( -2.730 0.000 -1.343) 3.043 3.349 ( 7.570 0.000 10.763) 13.158 3.445 ( 2.646 -0.000 2.964) 3.974 3.684 ( -2.203 0.000 6.084) 6.471 3.817 ( -5.183 0.000 -0.999) 5.279 3.919 ( -2.328 0.000 3.431) 4.146 4.173 ( 4.805 0.000 5.435) 7.255 4.327 ( 8.798 0.000 -4.597) 9.926 4.507 ( 11.296 0.000 -1.846) 11.446 4.986 ( -1.212 -0.000 -5.411) 5.545 4.995 ( -4.127 0.000 -1.046) 4.257 5.470 ( -2.407 0.000 -7.166) 7.560 5.545 ( -5.036 -0.000 1.486) 5.251 5.628 ( -3.617 0.000 4.567) 5.825 5.662 ( 2.982 -0.000 0.409) 3.010 6.025 ( -11.957 0.000 -3.237) 12.388 6.266 ( -6.210 0.000 7.086) 9.422 6.574 ( -0.261 0.000 -2.753) 2.765 6.742 ( -0.391 0.000 -6.979) 6.990 7.080 ( -0.488 0.000 3.647) 3.679 7.138 ( -0.490 -0.000 3.269) 3.306 7.191 ( -0.412 0.000 2.006) 2.048 7.297 ( 0.412 0.000 1.521) 1.576 7.760 ( 1.266 0.000 2.912) 3.175 7.776 ( 0.359 -0.000 -1.226) 1.278 8.460 ( 4.214 0.000 -2.395) 4.847 8.465 ( 4.070 -0.000 -0.820) 4.151 8.930 ( -0.390 0.000 1.050) 1.120 9.020 ( -0.558 0.000 4.120) 4.158 9.844 ( -0.342 0.000 -23.562) 23.565 9.989 ( 0.765 0.000 -20.433) 20.447 10.523 ( -2.901 0.000 16.381) 16.636 10.844 ( -0.237 0.000 11.494) 11.497 11.214 ( -1.262 0.000 3.549) 3.767 11.374 ( -4.878 0.000 1.698) 5.165 12.304 ( -2.166 0.000 1.767) 2.795 12.352 ( -0.601 0.000 5.508) 5.541 12.657 ( -6.456 0.000 -4.856) 8.078 12.665 ( -6.758 -0.000 -3.046) 7.412 15.134 ( -0.525 0.000 8.899) 8.915 15.200 ( -0.061 0.000 7.573) 7.573 15.671 ( -1.117 0.000 16.685) 16.722 15.856 ( -2.134 0.000 -0.490) 2.189 16.075 ( -5.099 0.000 19.343) 20.004 16.082 ( 4.124 0.000 2.881) 5.031 16.442 ( -8.119 -0.000 -1.479) 8.253 16.473 ( -10.375 0.000 4.129) 11.167 17.146 ( 12.323 0.000 -4.549) 13.136 18.113 ( 2.234 0.000 5.528) 5.962 18.496 ( -7.894 -0.000 -6.756) 10.390 18.671 ( -12.313 0.000 -3.585) 12.824 19.050 ( -0.034 0.000 4.812) 4.812 19.093 ( 0.390 0.000 4.628) 4.644 19.569 ( 1.112 0.000 -4.745) 4.873 19.718 ( 0.980 0.000 -2.642) 2.818 21.358 ( 11.084 -0.000 -3.594) 11.652 21.361 ( 7.319 0.000 0.045) 7.320 21.712 ( 9.759 -0.000 4.615) 10.795 21.770 ( 6.339 0.000 -0.026) 6.339 22.337 ( -9.896 0.000 -11.263) 14.993 22.648 ( -4.329 0.000 -6.968) 8.203 22.823 ( -0.505 0.000 -5.402) 5.426 22.838 ( -2.106 -0.000 -4.461) 4.934 ======================= Grid point 114 (44/90) ======================= q-point: ( 0.33 -0.50 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 1.114 0.000 4.645) 4.777 1.421 ( -3.559 -0.000 -4.203) 5.508 1.797 ( 9.497 0.000 4.012) 10.310 1.828 ( 23.346 -0.000 -11.522) 26.034 2.290 ( 11.397 0.000 -2.961) 11.775 2.535 ( 6.390 0.000 -2.441) 6.841 2.630 ( -4.272 0.000 -10.422) 11.263 2.957 ( -2.254 -0.000 -9.724) 9.982 2.963 ( 0.278 0.000 18.911) 18.913 3.164 ( -3.079 0.000 3.373) 4.567 3.496 ( 3.196 0.000 2.159) 3.857 3.530 ( 8.624 0.000 8.564) 12.154 3.658 ( -0.702 0.000 4.027) 4.088 3.723 ( -4.138 0.000 -2.210) 4.692 3.902 ( 1.257 0.000 9.623) 9.705 4.213 ( -0.970 0.000 6.300) 6.374 4.494 ( 8.107 0.000 -6.936) 10.669 4.758 ( 12.686 0.000 1.087) 12.732 4.898 ( -5.204 0.000 -1.674) 5.466 4.982 ( 0.900 -0.000 -5.367) 5.442 5.423 ( -2.012 0.000 -7.571) 7.834 5.448 ( -4.256 -0.000 3.097) 5.264 5.536 ( -5.341 0.000 7.926) 9.557 5.690 ( -4.681 0.000 -3.279) 5.716 5.806 ( -4.721 0.000 1.785) 5.047 6.123 ( -7.680 0.000 8.443) 11.414 6.599 ( 2.347 0.000 -4.592) 5.157 6.727 ( -1.126 0.000 -7.275) 7.362 7.060 ( -1.295 0.000 3.290) 3.536 7.102 ( -2.560 -0.000 2.730) 3.742 7.207 ( 1.506 0.000 3.115) 3.460 7.293 ( -0.779 0.000 2.749) 2.857 7.780 ( 0.678 0.000 2.848) 2.928 7.782 ( 0.247 -0.000 -0.210) 0.324 8.538 ( 3.400 0.000 -2.789) 4.398 8.541 ( 3.262 -0.000 -1.378) 3.541 8.942 ( 1.305 0.000 2.579) 2.890 9.007 ( -0.723 0.000 5.366) 5.415 9.857 ( 1.623 0.000 -23.888) 23.943 9.989 ( -0.822 0.000 -21.898) 21.914 10.507 ( 1.328 0.000 13.942) 14.005 10.802 ( -4.175 0.000 10.156) 10.981 11.204 ( 0.002 -0.000 3.732) 3.732 11.270 ( -4.382 0.000 2.361) 4.977 12.266 ( -1.283 0.000 2.486) 2.798 12.332 ( -1.519 0.000 6.051) 6.239 12.552 ( -3.957 0.000 -2.328) 4.592 12.556 ( -4.101 -0.000 -0.938) 4.207 15.134 ( 0.477 0.000 8.425) 8.439 15.193 ( -0.643 0.000 7.666) 7.693 15.676 ( 1.266 0.000 18.778) 18.821 15.818 ( -1.534 0.000 2.542) 2.970 15.954 ( -5.552 0.000 19.955) 20.713 16.159 ( 2.822 0.000 5.501) 6.183 16.254 ( -9.492 -0.000 -3.142) 9.999 16.328 ( -4.023 0.000 3.250) 5.172 17.456 ( 16.488 0.000 -9.420) 18.989 18.111 ( -2.228 0.000 1.291) 2.575 18.357 ( -5.909 -0.000 -5.101) 7.806 18.429 ( -11.150 0.000 -2.852) 11.509 19.054 ( 0.452 0.000 5.943) 5.960 19.094 ( -0.272 0.000 5.352) 5.359 19.603 ( 2.157 0.000 -4.738) 5.206 19.720 ( -0.702 0.000 -2.633) 2.725 21.525 ( 8.796 -0.000 -2.657) 9.189 21.575 ( 9.779 0.000 -6.660) 11.832 21.858 ( 2.584 -0.000 -4.196) 4.928 21.917 ( 10.531 0.000 2.451) 10.813 22.152 ( -8.430 0.000 -10.374) 13.367 22.546 ( -6.340 0.000 -6.306) 8.942 22.783 ( -2.590 0.000 -1.551) 3.018 22.803 ( -1.404 -0.000 -4.208) 4.436 ======================= Grid point 116 (45/90) ======================= q-point: ( 0.44 -0.50 0.20) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.519 0.000 -3.645) 3.681 1.392 ( -1.344 -0.000 -0.165) 1.354 2.049 ( 14.555 0.000 -3.102) 14.882 2.244 ( 16.006 0.000 -14.404) 21.533 2.347 ( -12.105 -0.000 -3.515) 12.605 2.442 ( 1.207 0.000 -6.471) 6.583 2.753 ( 3.050 0.000 -3.922) 4.968 2.816 ( -7.397 -0.000 -6.348) 9.747 2.995 ( 5.104 0.000 7.750) 9.280 3.111 ( -4.293 0.000 1.405) 4.517 3.572 ( 4.044 -0.000 2.916) 4.986 3.632 ( 1.542 0.000 5.148) 5.374 3.649 ( -0.322 0.000 2.570) 2.590 3.649 ( -3.248 -0.000 -0.458) 3.280 3.995 ( 7.434 0.000 12.174) 14.265 4.140 ( -6.064 0.000 9.486) 11.258 4.649 ( 7.285 0.000 -7.411) 10.392 4.780 ( -5.966 0.000 -4.720) 7.607 4.971 ( 6.702 0.000 -1.680) 6.909 5.013 ( 1.354 -0.000 -5.415) 5.582 5.394 ( -0.712 -0.000 5.850) 5.894 5.406 ( 0.945 0.000 -5.912) 5.987 5.433 ( -4.321 0.000 8.960) 9.948 5.499 ( -8.760 0.000 -5.434) 10.309 5.856 ( 5.172 0.000 6.272) 8.129 5.976 ( -6.830 0.000 7.934) 10.468 6.652 ( 2.636 0.000 -5.980) 6.535 6.697 ( -1.856 0.000 -6.839) 7.086 7.041 ( -0.312 0.000 3.570) 3.584 7.056 ( -1.764 -0.000 3.334) 3.772 7.239 ( 1.642 0.000 3.549) 3.910 7.270 ( -1.428 0.000 3.477) 3.759 7.786 ( 0.185 0.000 0.567) 0.597 7.787 ( 0.095 0.000 1.604) 1.607 8.586 ( 1.289 0.000 -2.618) 2.918 8.587 ( 1.225 -0.000 -2.052) 2.390 8.970 ( 1.299 0.000 4.752) 4.926 8.991 ( -0.891 0.000 5.789) 5.857 9.903 ( 2.739 0.000 -23.472) 23.631 9.956 ( -2.390 0.000 -22.862) 22.986 10.572 ( 4.945 0.000 11.117) 12.167 10.690 ( -6.403 0.000 9.660) 11.589 11.207 ( 0.241 -0.000 3.662) 3.670 11.218 ( -1.171 0.000 3.255) 3.460 12.261 ( 0.836 0.000 3.906) 3.994 12.294 ( -2.109 0.000 5.341) 5.742 12.501 ( -1.227 0.000 -1.262) 1.760 12.502 ( -1.373 -0.000 -0.781) 1.579 15.151 ( 1.123 0.000 7.975) 8.054 15.175 ( -1.171 0.000 7.768) 7.856 15.715 ( 2.617 0.000 20.375) 20.542 15.776 ( -3.138 0.000 17.908) 18.181 15.920 ( 2.965 0.000 3.983) 4.966 16.044 ( -8.627 0.000 1.087) 8.695 16.236 ( 2.504 0.000 1.881) 3.132 16.277 ( -1.843 0.000 2.912) 3.446 17.765 ( 14.265 0.000 -7.566) 16.147 18.006 ( -9.099 0.000 -3.034) 9.591 18.269 ( -2.616 0.000 -4.237) 4.980 18.271 ( -3.656 -0.000 -3.906) 5.350 19.067 ( 0.823 0.000 6.160) 6.215 19.083 ( -0.754 0.000 5.897) 5.946 19.650 ( 2.397 0.000 -4.024) 4.684 19.694 ( -1.899 0.000 -3.175) 3.700 21.688 ( 6.518 -0.000 -3.431) 7.366 21.717 ( 3.822 0.000 -4.860) 6.183 21.886 ( 1.216 -0.000 -8.633) 8.718 21.966 ( -6.485 0.000 -10.565) 12.396 22.167 ( 10.975 0.000 -0.962) 11.017 22.384 ( -9.914 0.000 -4.092) 10.725 22.756 ( -0.061 0.000 -1.405) 1.406 22.773 ( -1.419 -0.000 -2.742) 3.087 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 0.000 8.804) 8.804 1.516 ( 0.000 0.000 6.175) 6.175 1.630 ( 0.000 0.000 25.620) 25.620 1.767 ( 0.000 0.000 8.950) 8.950 2.085 ( 0.000 0.000 -14.800) 14.800 2.264 ( 0.000 0.000 -2.908) 2.908 2.875 ( 0.000 0.000 21.594) 21.594 2.897 ( 0.000 0.000 16.527) 16.527 2.991 ( 0.000 0.000 -12.593) 12.593 3.074 ( 0.000 0.000 -2.652) 2.652 3.203 ( 0.000 0.000 11.653) 11.653 3.776 ( 0.000 0.000 8.186) 8.186 3.894 ( 0.000 0.000 11.503) 11.503 3.973 ( 0.000 0.000 3.432) 3.432 4.000 ( 0.000 0.000 -11.384) 11.384 4.029 ( 0.000 0.000 0.867) 0.867 4.146 ( 0.000 0.000 12.954) 12.954 4.697 ( 0.000 0.000 8.948) 8.948 4.744 ( 0.000 0.000 5.673) 5.673 4.992 ( 0.000 0.000 0.315) 0.315 5.453 ( 0.000 0.000 -6.480) 6.480 5.483 ( 0.000 0.000 -2.082) 2.082 5.512 ( 0.000 0.000 -1.905) 1.905 5.864 ( 0.000 0.000 -10.656) 10.656 6.066 ( 0.000 0.000 9.504) 9.504 6.575 ( 0.000 0.000 3.028) 3.028 6.616 ( 0.000 0.000 -0.102) 0.102 6.737 ( 0.000 0.000 3.008) 3.008 7.096 ( 0.000 0.000 -0.914) 0.914 7.217 ( 0.000 0.000 0.183) 0.183 7.237 ( 0.000 0.000 3.139) 3.139 7.267 ( 0.000 0.000 -0.307) 0.307 7.518 ( 0.000 0.000 -2.485) 2.485 7.796 ( 0.000 0.000 -8.933) 8.933 8.248 ( 0.000 0.000 -7.362) 7.362 8.305 ( 0.000 0.000 -10.323) 10.323 9.011 ( 0.000 0.000 4.144) 4.144 9.077 ( 0.000 0.000 0.905) 0.905 9.454 ( 0.000 0.000 -18.641) 18.641 9.592 ( 0.000 0.000 -16.899) 16.899 10.858 ( 0.000 0.000 14.883) 14.883 11.192 ( 0.000 0.000 2.902) 2.902 11.292 ( 0.000 0.000 -0.076) 0.076 11.431 ( 0.000 0.000 -7.204) 7.204 12.433 ( 0.000 0.000 -0.310) 0.310 12.573 ( 0.000 0.000 -8.178) 8.178 12.579 ( 0.000 0.000 2.052) 2.052 12.659 ( 0.000 0.000 3.197) 3.197 15.405 ( 0.000 0.000 3.183) 3.183 15.429 ( 0.000 0.000 12.638) 12.638 15.821 ( 0.000 0.000 -3.446) 3.446 16.005 ( 0.000 0.000 0.252) 0.252 16.091 ( 0.000 0.000 8.990) 8.990 16.102 ( 0.000 0.000 5.562) 5.562 16.200 ( 0.000 0.000 1.252) 1.252 16.726 ( 0.000 0.000 -4.394) 4.394 17.624 ( 0.000 0.000 14.751) 14.751 18.373 ( 0.000 0.000 0.632) 0.632 18.563 ( 0.000 0.000 -3.624) 3.624 18.585 ( 0.000 0.000 -13.613) 13.613 19.124 ( 0.000 0.000 3.606) 3.606 19.149 ( 0.000 0.000 4.224) 4.224 19.501 ( 0.000 0.000 -4.739) 4.739 19.554 ( 0.000 0.000 -4.728) 4.728 21.333 ( 0.000 0.000 8.582) 8.582 21.337 ( 0.000 0.000 8.898) 8.898 21.495 ( 0.000 0.000 2.908) 2.908 21.907 ( 0.000 0.000 -3.386) 3.386 22.109 ( 0.000 0.000 2.977) 2.977 22.607 ( 0.000 0.000 -8.310) 8.310 22.675 ( 0.000 0.000 -7.841) 7.841 22.684 ( 0.000 0.000 -7.640) 7.640 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.11 0.00 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 0.957 0.000 10.685) 10.728 1.473 ( -10.423 0.000 17.146) 20.066 1.624 ( 9.822 0.000 3.472) 10.418 1.881 ( 7.803 0.000 11.357) 13.779 2.022 ( -4.192 0.000 -12.997) 13.657 2.414 ( 10.863 0.000 -3.848) 11.524 2.608 ( -11.324 0.000 20.357) 23.295 2.850 ( -9.465 0.000 -11.002) 14.513 3.093 ( 3.614 0.000 -2.647) 4.480 3.233 ( 3.315 0.000 11.065) 11.551 3.237 ( 12.857 0.000 11.483) 17.238 3.718 ( -5.916 0.000 11.329) 12.780 3.851 ( -6.841 0.000 -7.248) 9.967 3.874 ( -0.988 0.000 5.305) 5.396 3.995 ( -0.720 0.000 8.078) 8.110 4.140 ( 5.979 0.000 -8.435) 10.340 4.214 ( 5.550 0.000 13.921) 14.987 4.724 ( 2.766 0.000 8.785) 9.210 4.729 ( -0.969 0.000 4.297) 4.405 5.010 ( 1.275 0.000 2.795) 3.073 5.390 ( -5.268 0.000 -4.587) 6.985 5.454 ( 0.030 0.000 -5.116) 5.116 5.597 ( 4.496 0.000 0.670) 4.545 5.883 ( 1.443 0.000 -9.971) 10.075 6.012 ( -5.138 0.000 8.121) 9.610 6.529 ( -4.466 0.000 4.315) 6.210 6.566 ( -4.317 0.000 -0.733) 4.379 6.703 ( -2.414 0.000 2.067) 3.178 7.134 ( 2.309 0.000 -0.471) 2.356 7.209 ( -0.781 0.000 0.251) 0.821 7.234 ( 0.143 0.000 2.738) 2.741 7.288 ( 1.578 0.000 0.098) 1.581 7.531 ( 1.504 0.000 -2.581) 2.987 7.821 ( 2.176 0.000 -7.811) 8.109 8.275 ( 2.621 0.000 -7.443) 7.891 8.332 ( 2.533 0.000 -10.147) 10.459 8.985 ( -1.957 0.000 3.395) 3.918 9.087 ( 0.678 0.000 1.785) 1.909 9.428 ( -2.023 0.000 -18.313) 18.425 9.605 ( 0.756 0.000 -17.708) 17.724 10.843 ( -1.397 0.000 15.053) 15.118 11.193 ( 0.143 0.000 2.688) 2.692 11.294 ( 0.081 0.000 0.231) 0.245 11.363 ( -6.383 0.000 -4.289) 7.690 12.425 ( -0.658 0.000 -0.419) 0.780 12.527 ( -4.240 0.000 -6.778) 7.995 12.583 ( 0.281 0.000 1.718) 1.741 12.635 ( -2.417 0.000 3.419) 4.187 15.385 ( -1.789 0.000 4.003) 4.385 15.418 ( -1.108 0.000 12.375) 12.425 15.796 ( -2.217 0.000 -3.508) 4.150 16.004 ( -1.822 0.000 11.925) 12.063 16.035 ( 2.689 0.000 -0.229) 2.698 16.201 ( 0.225 0.000 2.199) 2.210 16.292 ( 11.047 0.000 2.249) 11.274 16.679 ( -4.591 0.000 -4.058) 6.128 17.444 ( -14.148 0.000 17.226) 22.291 18.352 ( -2.091 0.000 0.819) 2.245 18.529 ( -5.244 0.000 -12.397) 13.460 18.581 ( -0.582 0.000 -1.652) 1.751 19.118 ( 0.276 0.000 3.475) 3.486 19.175 ( 1.764 0.000 4.652) 4.975 19.471 ( -1.352 0.000 -5.054) 5.231 19.602 ( 2.998 0.000 -4.666) 5.546 21.313 ( -0.525 0.000 6.798) 6.819 21.336 ( 0.635 0.000 6.718) 6.748 21.567 ( 6.109 0.000 2.934) 6.777 21.934 ( 1.522 0.000 -6.909) 7.075 22.087 ( -2.037 0.000 2.819) 3.478 22.602 ( -0.116 0.000 -7.117) 7.118 22.652 ( -2.330 0.000 -6.992) 7.370 22.717 ( 2.604 0.000 -7.532) 7.970 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.22 0.00 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -5.964 0.000 7.016) 9.208 1.384 ( 2.758 0.000 8.287) 8.734 1.864 ( 13.410 0.000 0.669) 13.427 1.919 ( -6.287 0.000 -9.178) 11.125 2.065 ( 10.313 0.000 6.847) 12.379 2.460 ( -4.320 0.000 12.490) 13.216 2.602 ( 6.935 0.000 -7.046) 9.886 2.664 ( -8.038 0.000 -9.919) 12.767 3.106 ( -1.367 0.000 -2.474) 2.827 3.343 ( 7.442 0.000 9.176) 11.814 3.465 ( 9.039 0.000 6.889) 11.365 3.567 ( -8.592 0.000 10.490) 13.560 3.733 ( -4.860 0.000 -5.686) 7.480 3.849 ( -1.957 0.000 3.727) 4.209 3.978 ( -0.698 0.000 4.030) 4.090 4.236 ( 3.475 0.000 -6.980) 7.798 4.336 ( 6.513 0.000 11.217) 12.971 4.724 ( 0.685 0.000 3.133) 3.207 4.804 ( 4.834 0.000 8.359) 9.656 5.025 ( 0.015 0.000 7.146) 7.146 5.292 ( -4.313 0.000 -6.074) 7.450 5.455 ( 0.195 0.000 -1.533) 1.545 5.661 ( 0.523 0.000 1.105) 1.222 5.892 ( -5.204 0.000 6.405) 8.253 5.893 ( -1.184 0.000 -6.217) 6.329 6.409 ( -7.226 0.000 6.829) 9.942 6.496 ( -1.712 0.000 -3.092) 3.535 6.659 ( -1.987 0.000 0.134) 1.991 7.143 ( -1.310 0.000 0.232) 1.330 7.194 ( -0.899 0.000 0.192) 0.919 7.246 ( 1.051 0.000 2.680) 2.879 7.316 ( 1.060 0.000 0.228) 1.084 7.580 ( 3.315 0.000 -2.843) 4.367 7.859 ( 1.055 0.000 -5.057) 5.166 8.344 ( 4.007 0.000 -7.450) 8.459 8.396 ( 3.538 0.000 -9.710) 10.335 8.960 ( -0.093 0.000 2.331) 2.333 9.098 ( 0.408 0.000 2.648) 2.679 9.395 ( -0.977 0.000 -18.390) 18.416 9.606 ( -0.838 0.000 -18.973) 18.992 10.812 ( -1.401 0.000 15.230) 15.295 11.201 ( 0.743 0.000 2.311) 2.427 11.205 ( -8.760 0.000 1.464) 8.882 11.293 ( -0.240 0.000 0.734) 0.772 12.415 ( -0.195 0.000 -0.756) 0.781 12.426 ( -5.306 0.000 -3.711) 6.475 12.565 ( -4.493 0.000 3.781) 5.872 12.582 ( -0.525 0.000 0.989) 1.120 15.347 ( -1.733 0.000 5.687) 5.945 15.389 ( -1.697 0.000 11.105) 11.233 15.750 ( -1.827 0.000 -3.557) 3.999 16.010 ( 2.053 0.000 14.791) 14.932 16.093 ( 2.338 0.000 -1.964) 3.053 16.214 ( 1.182 0.000 4.488) 4.641 16.464 ( 3.772 0.000 5.896) 6.999 16.555 ( -7.293 0.000 -2.367) 7.668 17.236 ( -2.960 0.000 13.688) 14.005 18.295 ( -3.537 0.000 0.602) 3.588 18.399 ( -7.158 0.000 -9.748) 12.094 18.488 ( -8.621 0.000 0.552) 8.639 19.137 ( 1.329 0.000 4.430) 4.626 19.206 ( 1.179 0.000 5.295) 5.424 19.466 ( 0.895 0.000 -5.393) 5.466 19.648 ( 1.371 0.000 -4.450) 4.656 21.355 ( 4.919 0.000 0.958) 5.011 21.378 ( 3.576 0.000 3.245) 4.829 21.698 ( 6.065 0.000 -0.029) 6.066 21.935 ( -1.551 0.000 -10.922) 11.031 22.042 ( -1.783 0.000 3.638) 4.052 22.583 ( -4.548 0.000 -4.885) 6.674 22.608 ( 0.677 0.000 -5.517) 5.558 22.759 ( 1.147 0.000 -6.907) 7.002 ======================= Grid point 138 (49/90) ======================= q-point: ( 0.33 0.00 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 2.097 0.000 -2.677) 3.401 1.485 ( 8.026 0.000 -1.860) 8.239 1.763 ( -9.221 0.000 -6.787) 11.450 2.104 ( 7.218 0.000 -0.715) 7.253 2.285 ( 11.327 0.000 0.916) 11.364 2.352 ( -4.860 0.000 -7.674) 9.084 2.602 ( 1.156 0.000 1.243) 1.697 2.678 ( 0.843 0.000 -9.837) 9.873 3.067 ( -1.629 0.000 1.503) 2.216 3.391 ( -8.921 0.000 9.767) 13.228 3.490 ( 6.197 0.000 5.466) 8.263 3.591 ( 4.098 0.000 2.432) 4.765 3.662 ( -2.339 0.000 -2.955) 3.768 3.795 ( -3.363 0.000 3.558) 4.896 3.991 ( 2.752 0.000 -0.525) 2.801 4.269 ( -0.421 0.000 -5.548) 5.564 4.478 ( 7.960 0.000 6.420) 10.226 4.759 ( 2.842 0.000 4.241) 5.105 4.875 ( 0.943 0.000 6.281) 6.352 5.005 ( -2.248 0.000 11.190) 11.413 5.232 ( -1.301 0.000 -6.672) 6.797 5.478 ( 2.863 0.000 3.062) 4.191 5.561 ( -9.007 0.000 -2.932) 9.472 5.831 ( -4.767 0.000 0.169) 4.770 5.884 ( 3.565 0.000 8.186) 8.928 6.257 ( -7.768 0.000 8.738) 11.691 6.503 ( 1.934 0.000 -5.749) 6.066 6.625 ( -1.536 0.000 -2.665) 3.076 7.110 ( -1.451 0.000 1.053) 1.793 7.163 ( -2.110 0.000 0.582) 2.189 7.271 ( 1.286 0.000 2.356) 2.685 7.326 ( -0.055 0.000 0.553) 0.555 7.653 ( 3.729 0.000 -3.105) 4.853 7.851 ( -1.849 0.000 -2.757) 3.320 8.423 ( 3.684 0.000 -7.288) 8.167 8.460 ( 2.702 0.000 -8.977) 9.375 8.987 ( 2.603 0.000 1.410) 2.960 9.102 ( -0.099 0.000 2.989) 2.991 9.396 ( 1.193 0.000 -19.132) 19.169 9.570 ( -2.681 0.000 -20.038) 20.216 10.798 ( 0.149 0.000 14.634) 14.634 11.037 ( -7.711 0.000 6.349) 9.988 11.222 ( 1.250 0.000 1.938) 2.306 11.284 ( -0.603 0.000 1.065) 1.224 12.339 ( -3.036 0.000 -0.511) 3.079 12.422 ( 1.065 0.000 -1.050) 1.496 12.465 ( -5.293 0.000 3.627) 6.416 12.558 ( -1.906 0.000 0.174) 1.914 15.321 ( -0.783 0.000 6.935) 6.979 15.355 ( -1.568 0.000 9.433) 9.562 15.741 ( 1.298 0.000 -3.441) 3.678 16.073 ( 4.058 0.000 17.185) 17.658 16.083 ( -4.166 0.000 -4.175) 5.898 16.257 ( 3.130 0.000 5.574) 6.393 16.419 ( -6.230 0.000 17.490) 18.566 16.427 ( -4.654 0.000 1.632) 4.932 17.358 ( 12.801 0.000 1.405) 12.877 18.222 ( -3.466 0.000 -1.118) 3.642 18.264 ( -13.303 0.000 0.113) 13.303 18.267 ( -5.716 0.000 -6.768) 8.859 19.164 ( 1.348 0.000 5.583) 5.744 19.218 ( 0.090 0.000 5.939) 5.939 19.503 ( 2.625 0.000 -5.185) 5.812 19.653 ( -0.777 0.000 -4.183) 4.255 21.470 ( 5.493 0.000 -0.329) 5.503 21.490 ( 7.901 0.000 -5.157) 9.436 21.760 ( -0.615 0.000 -5.132) 5.169 21.878 ( -3.989 0.000 -12.113) 12.753 22.058 ( 4.128 0.000 5.922) 7.219 22.473 ( -6.370 0.000 -2.212) 6.743 22.629 ( 1.470 0.000 -4.620) 4.848 22.757 ( -1.284 0.000 -6.151) 6.283 ======================= Grid point 139 (50/90) ======================= q-point: ( 0.44 0.00 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 8.350 0.000 -6.842) 10.795 1.563 ( -10.428 0.000 -6.739) 12.416 1.704 ( 13.426 0.000 -10.741) 17.194 1.984 ( -13.520 0.000 -11.365) 17.662 2.452 ( 9.487 0.000 -3.865) 10.245 2.495 ( 9.306 0.000 -5.152) 10.637 2.595 ( -3.759 0.000 -0.454) 3.786 2.638 ( -4.804 0.000 -9.281) 10.450 3.086 ( 4.251 0.000 6.840) 8.053 3.219 ( -8.213 0.000 9.345) 12.441 3.575 ( 2.921 0.000 1.384) 3.233 3.624 ( -2.007 0.000 -0.500) 2.068 3.655 ( 2.963 0.000 1.755) 3.444 3.722 ( -3.721 0.000 2.484) 4.474 4.092 ( 6.599 0.000 -3.072) 7.279 4.215 ( -4.939 0.000 -4.555) 6.719 4.652 ( 9.163 0.000 3.537) 9.822 4.816 ( -6.475 0.000 3.588) 7.403 4.835 ( 4.687 0.000 7.750) 9.057 4.933 ( -4.699 0.000 11.484) 12.408 5.257 ( 3.898 0.000 -6.309) 7.416 5.380 ( -8.191 0.000 -5.384) 9.802 5.577 ( 6.611 0.000 5.942) 8.889 5.715 ( -6.671 0.000 4.827) 8.234 5.982 ( 5.775 0.000 9.203) 10.865 6.109 ( -6.986 0.000 9.468) 11.766 6.550 ( 2.445 0.000 -6.378) 6.830 6.593 ( -1.791 0.000 -5.215) 5.514 7.097 ( 0.275 0.000 1.588) 1.612 7.120 ( -1.865 0.000 1.328) 2.290 7.295 ( 1.178 0.000 1.736) 2.098 7.316 ( -0.859 0.000 1.080) 1.379 7.726 ( 3.616 0.000 -2.894) 4.632 7.796 ( -3.352 0.000 -2.368) 4.104 8.481 ( 1.914 0.000 -7.371) 7.615 8.494 ( 0.564 0.000 -8.019) 8.038 9.046 ( 2.857 0.000 1.670) 3.309 9.089 ( -1.381 0.000 2.554) 2.903 9.439 ( 2.962 0.000 -20.076) 20.294 9.506 ( -3.530 0.000 -20.490) 20.792 10.825 ( 2.704 0.000 12.797) 13.079 10.906 ( -5.396 0.000 9.974) 11.340 11.247 ( 1.246 0.000 1.576) 2.009 11.269 ( -0.929 0.000 1.291) 1.591 12.316 ( 0.851 0.000 1.747) 1.944 12.368 ( -4.090 0.000 2.999) 5.071 12.457 ( 2.359 0.000 -0.994) 2.560 12.510 ( -2.758 0.000 -0.542) 2.811 15.316 ( 0.229 0.000 7.604) 7.607 15.329 ( -1.028 0.000 8.264) 8.328 15.810 ( 5.530 0.000 -3.580) 6.588 15.950 ( -7.912 0.000 -4.191) 8.953 16.167 ( 5.319 0.000 19.315) 20.034 16.285 ( -6.547 0.000 20.379) 21.405 16.321 ( 2.899 0.000 5.111) 5.876 16.368 ( -2.080 0.000 4.436) 4.900 17.658 ( 16.105 0.000 -2.287) 16.266 17.975 ( -15.485 0.000 -1.578) 15.565 18.172 ( -1.169 0.000 -3.259) 3.462 18.184 ( -2.454 0.000 -4.455) 5.086 19.190 ( 1.241 0.000 6.166) 6.289 19.211 ( -0.799 0.000 6.262) 6.313 19.562 ( 3.147 0.000 -4.624) 5.593 19.620 ( -2.442 0.000 -4.206) 4.864 21.586 ( 5.899 0.000 -3.320) 6.769 21.647 ( 7.513 0.000 -9.298) 11.953 21.696 ( -4.897 0.000 -5.269) 7.193 21.780 ( -5.823 0.000 -11.478) 12.871 22.183 ( 7.462 0.000 3.808) 8.378 22.334 ( -7.485 0.000 0.719) 7.519 22.667 ( 2.312 0.000 -4.626) 5.172 22.717 ( -2.512 0.000 -5.306) 5.871 ======================= Grid point 144 (51/90) ======================= q-point: ( 0.00 0.25 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 -18.898 13.147) 23.021 1.170 ( 0.000 -13.248 7.413) 15.181 1.812 ( 0.000 3.102 15.373) 15.683 1.862 ( 0.000 1.112 0.088) 1.116 2.041 ( 0.000 2.909 3.457) 4.518 2.276 ( 0.000 -0.015 -0.864) 0.865 2.917 ( 0.000 2.391 12.668) 12.892 2.930 ( 0.000 3.895 14.989) 15.487 2.991 ( 0.000 -0.119 -12.038) 12.039 3.043 ( 0.000 -2.575 -4.638) 5.305 3.288 ( 0.000 8.876 12.959) 15.707 3.760 ( 0.000 -11.006 11.800) 16.136 3.875 ( 0.000 9.720 10.868) 14.581 3.993 ( 0.000 0.748 -2.923) 3.017 4.010 ( 0.000 0.553 -10.014) 10.029 4.068 ( 0.000 2.641 5.170) 5.806 4.143 ( 0.000 -0.331 13.034) 13.038 4.448 ( 0.000 -15.554 16.000) 22.314 4.915 ( 0.000 7.589 1.313) 7.702 5.008 ( 0.000 1.113 -0.278) 1.147 5.484 ( 0.000 2.698 -5.451) 6.082 5.493 ( 0.000 0.927 -1.956) 2.164 5.523 ( 0.000 1.486 -2.606) 3.000 5.751 ( 0.000 -8.184 -6.785) 10.631 6.191 ( 0.000 9.316 4.974) 10.561 6.512 ( 0.000 -6.038 3.140) 6.806 6.648 ( 0.000 3.010 0.034) 3.010 6.737 ( 0.000 -0.482 2.163) 2.216 7.096 ( 0.000 0.377 -1.324) 1.377 7.182 ( 0.000 -3.076 -0.523) 3.120 7.252 ( 0.000 1.018 2.777) 2.958 7.270 ( 0.000 -0.017 0.114) 0.115 7.559 ( 0.000 4.375 -2.906) 5.252 7.763 ( 0.000 -3.459 -7.371) 8.142 8.255 ( 0.000 0.704 -7.755) 7.787 8.295 ( 0.000 -0.968 -9.851) 9.898 9.022 ( 0.000 1.098 3.740) 3.898 9.070 ( 0.000 -0.794 1.420) 1.627 9.472 ( 0.000 1.828 -18.093) 18.185 9.570 ( 0.000 -2.226 -16.885) 17.031 10.890 ( 0.000 3.426 13.567) 13.993 11.125 ( 0.000 -6.359 4.868) 8.009 11.312 ( 0.000 1.964 -0.417) 2.007 11.408 ( 0.000 -2.129 -4.756) 5.210 12.413 ( 0.000 -1.097 0.298) 1.137 12.486 ( 0.000 -5.444 4.552) 7.096 12.623 ( 0.000 4.172 -7.561) 8.636 12.713 ( 0.000 1.707 -2.284) 2.851 15.364 ( 0.000 -2.376 5.943) 6.400 15.402 ( 0.000 -2.492 11.926) 12.184 15.885 ( 0.000 4.509 -2.054) 4.955 15.991 ( 0.000 -1.434 0.503) 1.520 16.095 ( 0.000 0.315 8.182) 8.188 16.102 ( 0.000 -0.046 6.007) 6.007 16.288 ( 0.000 8.786 -1.456) 8.905 16.660 ( 0.000 -6.669 -4.469) 8.028 17.713 ( 0.000 8.996 14.171) 16.786 18.221 ( 0.000 -13.289 6.078) 14.613 18.587 ( 0.000 1.056 -7.137) 7.214 18.587 ( 0.000 0.248 -12.800) 12.803 19.123 ( 0.000 0.051 3.982) 3.982 19.143 ( 0.000 -0.573 4.250) 4.288 19.514 ( 0.000 1.085 -4.929) 5.048 19.549 ( 0.000 -0.524 -4.820) 4.848 21.336 ( 0.000 0.231 8.524) 8.527 21.338 ( 0.000 0.090 8.711) 8.712 21.514 ( 0.000 2.041 3.205) 3.800 21.731 ( 0.000 -10.228 2.366) 10.498 22.321 ( 0.000 13.565 -4.235) 14.211 22.617 ( 0.000 0.993 -8.136) 8.196 22.645 ( 0.000 -3.339 -8.016) 8.684 22.670 ( 0.000 -1.289 -7.627) 7.736 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.11 0.25 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -0.673 -14.961 8.910) 17.426 1.378 ( 12.418 -13.420 7.961) 19.941 1.755 ( -6.851 7.879 10.958) 15.136 1.905 ( 3.888 -0.614 0.190) 3.941 1.996 ( 0.516 1.472 2.673) 3.094 2.351 ( 1.992 -5.952 5.799) 8.545 2.706 ( -5.498 7.452 7.867) 12.151 2.841 ( -9.413 -0.945 -10.989) 14.500 3.101 ( 3.718 0.504 -6.444) 7.457 3.194 ( 9.108 -0.937 11.436) 14.650 3.337 ( 5.577 7.740 12.196) 15.483 3.678 ( -5.697 -5.243 11.351) 13.740 3.858 ( -7.140 0.446 -7.201) 10.151 3.929 ( -0.458 5.552 4.805) 7.356 3.989 ( -0.521 -0.088 11.419) 11.431 4.140 ( 4.376 0.239 -6.782) 8.075 4.228 ( 6.532 1.250 11.370) 13.173 4.502 ( 5.402 -12.578 15.164) 20.429 4.888 ( -1.768 6.217 0.345) 6.473 5.033 ( 1.543 1.837 2.513) 3.474 5.401 ( -4.952 0.954 -4.686) 6.884 5.492 ( -0.033 3.932 -4.852) 6.245 5.603 ( 4.446 0.463 0.716) 4.527 5.762 ( 0.722 -8.278 -5.574) 10.006 6.125 ( -6.188 7.168 2.956) 9.920 6.489 ( -2.563 -3.617 4.505) 6.320 6.587 ( -4.940 1.861 -0.879) 5.352 6.707 ( -2.439 0.130 1.510) 2.872 7.129 ( 2.070 -0.270 -0.512) 2.150 7.176 ( -0.173 -2.139 -0.055) 2.146 7.249 ( -0.543 0.504 2.256) 2.375 7.284 ( 1.314 -0.363 -0.066) 1.365 7.579 ( 1.962 4.775 -2.673) 5.814 7.787 ( 2.065 -3.570 -6.423) 7.633 8.281 ( 2.547 0.561 -7.936) 8.353 8.325 ( 2.729 -0.721 -9.665) 10.069 8.990 ( -2.278 0.434 3.074) 3.851 9.085 ( 0.850 -0.262 2.221) 2.392 9.441 ( -2.325 1.145 -17.808) 17.995 9.588 ( 1.062 -1.548 -17.710) 17.810 10.868 ( -2.017 2.597 13.994) 14.375 11.122 ( -0.453 -6.312 5.031) 8.085 11.285 ( -2.191 0.077 -0.177) 2.200 11.390 ( -2.006 1.425 -3.426) 4.218 12.395 ( -1.601 -1.757 0.261) 2.392 12.492 ( 0.221 -4.797 4.149) 6.346 12.586 ( -3.230 4.193 -6.117) 8.089 12.687 ( -2.525 1.531 -1.541) 3.331 15.353 ( -0.956 -1.864 6.518) 6.846 15.393 ( -0.845 -2.211 11.370) 11.614 15.850 ( -2.918 3.816 -2.488) 5.410 16.002 ( -1.881 -0.183 11.897) 12.046 16.030 ( 2.899 -0.502 -0.478) 2.981 16.242 ( 2.606 2.410 3.593) 5.051 16.326 ( 7.341 4.975 -1.048) 8.929 16.625 ( -3.488 -5.575 -4.235) 7.822 17.489 ( -16.638 4.013 17.386) 24.397 18.264 ( 1.426 -7.414 4.635) 8.859 18.485 ( -5.761 -1.608 -9.506) 11.231 18.644 ( -0.244 3.069 -7.340) 7.960 19.115 ( 0.399 -0.228 3.537) 3.566 19.171 ( 1.756 -0.329 4.815) 5.136 19.476 ( -1.611 0.383 -5.051) 5.315 19.601 ( 3.018 -0.040 -4.746) 5.624 21.311 ( -0.779 -0.126 7.392) 7.434 21.338 ( 0.690 0.211 6.100) 6.143 21.584 ( 6.045 1.847 2.941) 6.972 21.782 ( 3.723 -8.845 -0.202) 9.599 22.250 ( -5.978 9.440 -4.505) 12.048 22.597 ( -1.743 -0.705 -6.641) 6.902 22.654 ( 0.175 0.540 -7.544) 7.566 22.708 ( 3.011 -1.007 -7.485) 8.131 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.22 0.25 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 4.790 -8.001 -0.427) 9.335 1.578 ( -0.149 5.795 12.359) 13.651 1.627 ( 2.290 -10.253 -1.498) 10.611 1.958 ( 1.230 -2.705 -1.330) 3.255 2.099 ( 8.428 3.705 4.946) 10.451 2.337 ( 0.529 -8.506 6.833) 10.924 2.631 ( -8.170 -2.048 -11.255) 14.058 2.729 ( 1.326 6.770 -5.013) 8.527 3.129 ( -0.460 1.949 -4.445) 4.875 3.337 ( 6.026 -0.125 11.185) 12.706 3.482 ( 6.178 1.617 5.217) 8.247 3.566 ( -4.207 0.344 11.955) 12.678 3.733 ( -5.249 -0.071 -6.059) 8.017 3.853 ( -4.079 -0.568 4.159) 5.853 4.011 ( 0.602 3.070 6.021) 6.785 4.214 ( 3.046 -1.397 -4.993) 6.013 4.361 ( 6.386 1.704 8.818) 11.020 4.652 ( 8.862 -4.789 12.580) 16.116 4.869 ( 0.205 4.272 1.098) 4.416 5.045 ( -0.624 1.377 6.700) 6.869 5.309 ( -4.077 1.403 -6.570) 7.859 5.487 ( -0.480 3.318 -1.541) 3.690 5.666 ( 0.419 0.445 1.006) 1.177 5.769 ( 0.409 -6.844 -1.304) 6.979 5.971 ( -8.118 2.662 1.182) 8.625 6.405 ( -5.706 -0.289 6.611) 8.738 6.508 ( -2.141 1.032 -3.104) 3.909 6.655 ( -2.511 -0.405 -0.408) 2.576 7.135 ( -1.077 -0.597 0.672) 1.403 7.183 ( -0.188 -0.803 -0.077) 0.828 7.242 ( 0.462 -0.392 2.438) 2.512 7.310 ( 1.129 -0.469 -0.275) 1.253 7.629 ( 2.764 4.515 -2.571) 5.885 7.825 ( 1.261 -3.385 -4.090) 5.457 8.349 ( 4.008 0.454 -7.999) 8.958 8.392 ( 3.717 -0.354 -9.325) 10.045 8.959 ( -0.300 -0.011 2.255) 2.275 9.097 ( 0.378 -0.143 2.846) 2.874 9.403 ( -1.099 0.734 -18.084) 18.133 9.594 ( -0.595 -1.052 -18.948) 18.986 10.824 ( -2.040 1.093 14.639) 14.821 11.095 ( -2.751 -5.564 5.654) 8.396 11.247 ( -1.281 0.757 0.565) 1.591 11.335 ( -3.017 2.839 -0.899) 4.239 12.358 ( -2.031 -2.369 0.130) 3.123 12.475 ( -2.225 -0.764 1.540) 2.812 12.527 ( -2.140 1.502 -1.119) 2.844 12.621 ( -3.849 0.898 -0.554) 3.991 15.332 ( -1.010 -1.002 7.646) 7.778 15.372 ( -1.215 -1.414 9.827) 10.002 15.789 ( -2.800 2.908 -3.137) 5.113 16.002 ( 1.597 -0.655 14.210) 14.314 16.097 ( 3.108 0.148 -1.645) 3.520 16.251 ( 0.174 3.546 4.339) 5.606 16.446 ( -0.702 -1.746 3.500) 3.973 16.551 ( -2.266 -0.432 -1.186) 2.594 17.246 ( -4.080 0.786 14.327) 14.917 18.250 ( -2.538 -3.794 3.142) 5.541 18.360 ( -6.534 -1.649 -8.437) 10.798 18.549 ( -8.847 3.532 -3.376) 10.106 19.138 ( 1.527 0.140 4.229) 4.499 19.201 ( 1.160 -0.401 5.453) 5.589 19.468 ( 0.795 0.113 -5.325) 5.386 19.647 ( 1.360 -0.060 -4.457) 4.660 21.349 ( 4.626 -0.479 1.731) 4.962 21.382 ( 3.753 0.309 2.564) 4.556 21.710 ( 5.370 1.242 -0.607) 5.545 21.846 ( 2.701 -5.560 -3.665) 7.187 22.123 ( -5.938 4.636 -2.875) 8.064 22.549 ( -3.210 -1.720 -4.397) 5.710 22.652 ( -0.153 2.745 -6.582) 7.133 22.751 ( 0.933 -0.814 -6.518) 6.634 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.33 0.25 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 4.050 -3.489 -7.881) 9.523 1.574 ( 4.036 7.637 -1.021) 8.698 1.631 ( -4.714 -9.522 -1.164) 10.689 2.053 ( 8.574 -12.393 0.146) 15.070 2.217 ( -1.364 4.935 -1.229) 5.266 2.397 ( 5.322 0.517 -9.829) 11.189 2.540 ( 1.473 -6.003 -0.474) 6.200 2.726 ( -2.168 2.942 -9.532) 10.208 3.108 ( -0.925 3.675 -0.133) 3.792 3.342 ( -6.105 -3.337 10.918) 12.946 3.545 ( 5.433 1.703 2.769) 6.331 3.598 ( 1.844 3.783 4.909) 6.466 3.656 ( -2.338 -0.547 -3.218) 4.015 3.792 ( -2.345 -1.235 4.028) 4.822 4.037 ( 2.915 3.825 2.879) 5.605 4.248 ( 0.108 -1.634 -4.103) 4.418 4.488 ( 6.875 0.231 5.384) 8.735 4.803 ( 5.345 4.007 6.813) 9.542 4.899 ( 1.986 1.963 4.060) 4.928 5.002 ( -3.558 -0.302 10.563) 11.150 5.251 ( -1.436 1.541 -7.118) 7.423 5.486 ( 0.774 0.830 2.619) 2.854 5.568 ( -8.760 1.053 -2.909) 9.290 5.759 ( -3.346 -6.003 1.086) 6.957 5.897 ( 2.320 0.612 7.444) 7.821 6.273 ( -7.290 1.274 8.217) 11.058 6.504 ( 1.305 0.059 -5.374) 5.530 6.612 ( -1.828 -1.074 -3.162) 3.807 7.109 ( -1.213 -0.053 1.233) 1.731 7.155 ( -2.074 -0.641 0.838) 2.327 7.267 ( 1.584 -0.291 2.240) 2.759 7.323 ( 0.144 -0.210 0.180) 0.312 7.682 ( 2.559 2.782 -2.854) 4.736 7.825 ( -1.293 -2.489 -2.284) 3.617 8.428 ( 3.691 0.453 -7.736) 8.584 8.460 ( 2.854 -0.061 -8.773) 9.226 8.983 ( 2.466 -0.298 1.459) 2.880 9.099 ( -0.235 -0.293 3.019) 3.042 9.404 ( 1.151 0.597 -18.962) 19.006 9.564 ( -2.344 -0.560 -20.090) 20.234 10.800 ( -0.162 0.172 14.377) 14.379 11.008 ( -5.506 -2.204 7.359) 9.452 11.239 ( 0.324 1.159 1.255) 1.739 11.288 ( -1.579 0.408 0.727) 1.786 12.323 ( -1.170 -1.199 0.872) 1.888 12.428 ( -2.215 0.491 1.626) 2.792 12.483 ( -2.349 1.381 0.336) 2.746 12.550 ( -2.989 -0.750 -0.538) 3.128 15.317 ( -0.463 -0.454 8.209) 8.235 15.348 ( -1.175 -0.523 8.338) 8.436 15.760 ( 0.392 1.499 -3.405) 3.741 16.041 ( 0.644 -1.456 9.973) 10.099 16.120 ( -0.647 1.737 1.379) 2.310 16.269 ( 1.965 1.310 6.636) 7.044 16.364 ( -4.136 -3.066 8.534) 9.967 16.470 ( -6.030 1.756 10.867) 12.552 17.358 ( 12.736 0.011 1.462) 12.819 18.172 ( -5.775 -3.044 1.577) 6.716 18.240 ( -5.105 -0.470 -6.879) 8.579 18.335 ( -11.113 3.053 -2.698) 11.836 19.167 ( 1.297 0.253 5.493) 5.649 19.214 ( 0.164 -0.369 6.030) 6.044 19.503 ( 2.600 0.026 -5.156) 5.775 19.653 ( -0.762 -0.054 -4.165) 4.235 21.468 ( 6.296 -0.206 -2.020) 6.615 21.487 ( 6.918 -0.178 -3.217) 7.631 21.754 ( -0.815 -0.492 -5.867) 5.944 21.870 ( -2.222 -0.538 -9.999) 10.257 22.071 ( 2.611 0.968 4.672) 5.440 22.465 ( -5.324 -0.632 -2.209) 5.799 22.654 ( 0.487 2.243 -5.276) 5.754 22.745 ( -1.307 -1.183 -5.727) 5.992 ======================= Grid point 148 (55/90) ======================= q-point: ( 0.44 0.25 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 6.366 -5.225 -7.381) 11.059 1.461 ( -8.753 -8.167 -5.180) 13.044 1.773 ( 12.267 6.611 -10.631) 17.527 2.024 ( -11.843 2.009 -13.860) 18.341 2.279 ( 10.214 -8.752 -2.180) 13.626 2.449 ( -4.605 -7.581 -4.650) 10.015 2.620 ( 5.618 2.693 -5.712) 8.453 2.692 ( -1.096 1.631 -5.695) 6.025 3.113 ( 2.067 2.456 4.479) 5.510 3.204 ( -6.562 -1.185 8.584) 10.869 3.607 ( 0.160 1.040 -1.176) 1.578 3.616 ( -0.226 -0.529 -1.527) 1.632 3.664 ( 4.002 2.347 4.509) 6.470 3.739 ( -3.237 1.459 4.482) 5.718 4.126 ( 5.197 2.746 -0.274) 5.885 4.215 ( -3.326 0.037 -2.786) 4.339 4.648 ( 9.148 -0.656 4.733) 10.321 4.827 ( -7.229 1.237 6.388) 9.726 4.898 ( 2.861 4.695 4.714) 7.242 4.953 ( -1.828 2.169 7.500) 8.018 5.265 ( 3.157 0.719 -6.279) 7.065 5.378 ( -8.006 -0.168 -5.273) 9.587 5.555 ( 4.979 -1.702 6.241) 8.163 5.666 ( -5.487 -4.247 5.659) 8.954 5.992 ( 6.113 0.881 8.744) 10.705 6.126 ( -7.217 1.402 8.915) 11.556 6.541 ( 2.030 -0.844 -6.068) 6.454 6.578 ( -1.721 -1.236 -5.302) 5.710 7.097 ( 0.152 -0.023 1.712) 1.719 7.116 ( -1.638 -0.385 1.547) 2.285 7.296 ( 1.273 0.053 1.737) 2.154 7.317 ( -0.747 0.043 0.972) 1.227 7.732 ( 2.544 0.680 -2.783) 3.831 7.784 ( -2.540 -1.111 -2.221) 3.552 8.485 ( 1.843 0.392 -7.619) 7.849 8.497 ( 0.702 0.199 -8.041) 8.074 9.040 ( 2.788 -0.471 1.711) 3.305 9.083 ( -1.445 -0.480 2.532) 2.954 9.445 ( 2.805 0.450 -20.032) 20.232 9.507 ( -3.196 0.025 -20.571) 20.817 10.823 ( 2.560 -0.182 12.742) 12.998 10.899 ( -4.969 -0.541 10.112) 11.280 11.251 ( 0.762 0.337 1.396) 1.626 11.267 ( -0.823 -0.234 1.224) 1.494 12.323 ( 1.339 0.435 2.179) 2.595 12.372 ( -3.222 0.547 3.042) 4.465 12.465 ( 0.737 0.579 -1.146) 1.480 12.498 ( -2.297 -1.071 -0.783) 2.653 15.315 ( 0.276 -0.183 8.011) 8.018 15.327 ( -0.890 -0.124 7.800) 7.852 15.814 ( 5.051 0.390 -3.638) 6.237 15.947 ( -7.520 -0.221 -3.851) 8.452 16.169 ( 4.645 0.178 17.848) 18.444 16.270 ( -4.793 -1.021 17.382) 18.060 16.328 ( 2.283 0.470 6.643) 7.040 16.377 ( -2.851 0.663 7.117) 7.695 17.657 ( 16.017 -0.054 -2.311) 16.183 17.966 ( -14.331 -0.704 -1.353) 14.411 18.175 ( -1.338 0.102 -4.656) 4.845 18.191 ( -3.230 0.649 -3.480) 4.792 19.190 ( 1.105 0.072 6.157) 6.256 19.209 ( -0.664 -0.178 6.302) 6.339 19.562 ( 3.133 -0.002 -4.607) 5.571 19.620 ( -2.426 -0.026 -4.187) 4.839 21.589 ( 5.836 0.361 -4.073) 7.125 21.631 ( 6.362 -1.328 -7.176) 9.681 21.703 ( -3.451 0.465 -7.150) 7.953 21.773 ( -6.133 -0.556 -10.344) 12.038 22.190 ( 7.536 0.541 3.551) 8.348 22.339 ( -7.161 0.406 0.434) 7.185 22.674 ( 1.478 0.706 -4.799) 5.070 22.710 ( -2.002 -0.669 -5.119) 5.537 ======================= Grid point 153 (56/90) ======================= q-point: ( 0.00 -0.50 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.000 -1.527 8.176) 8.317 0.982 ( 0.000 1.527 8.176) 8.317 1.818 ( 0.000 -0.449 7.709) 7.722 1.818 ( 0.000 0.449 7.709) 7.722 2.198 ( 0.000 -7.617 5.982) 9.686 2.198 ( 0.000 7.617 5.982) 9.686 2.966 ( 0.000 -0.420 9.221) 9.230 2.966 ( 0.000 0.420 9.221) 9.230 2.997 ( 0.000 -1.115 -9.109) 9.177 2.997 ( 0.000 1.115 -9.109) 9.177 3.516 ( 0.000 -13.690 13.350) 19.121 3.516 ( 0.000 13.690 13.350) 19.121 4.008 ( 0.000 -0.159 -6.895) 6.897 4.008 ( 0.000 0.159 -6.895) 6.897 4.080 ( 0.000 -5.206 2.108) 5.616 4.080 ( 0.000 5.206 2.108) 5.616 4.170 ( 0.000 -8.935 23.734) 25.360 4.170 ( 0.000 8.935 23.734) 25.360 5.006 ( 0.000 -1.615 -0.649) 1.740 5.006 ( 0.000 1.615 -0.649) 1.740 5.507 ( 0.000 -0.016 -2.047) 2.047 5.507 ( 0.000 0.016 -2.047) 2.047 5.605 ( 0.000 -6.653 -5.788) 8.819 5.605 ( 0.000 6.653 -5.788) 8.819 6.367 ( 0.000 -8.311 3.417) 8.986 6.367 ( 0.000 8.311 3.417) 8.986 6.708 ( 0.000 -2.319 0.819) 2.459 6.708 ( 0.000 2.319 0.819) 2.459 7.123 ( 0.000 -2.528 -1.313) 2.849 7.123 ( 0.000 2.528 -1.313) 2.849 7.265 ( 0.000 -0.381 1.182) 1.242 7.265 ( 0.000 0.381 1.182) 1.242 7.668 ( 0.000 -6.155 -4.444) 7.592 7.668 ( 0.000 6.155 -4.444) 7.592 8.273 ( 0.000 -1.152 -8.769) 8.844 8.273 ( 0.000 1.152 -8.769) 8.844 9.048 ( 0.000 -1.080 2.633) 2.846 9.048 ( 0.000 1.080 2.633) 2.846 9.518 ( 0.000 -2.507 -17.204) 17.386 9.518 ( 0.000 2.507 -17.204) 17.386 10.990 ( 0.000 -6.677 9.760) 11.826 10.990 ( 0.000 6.677 9.760) 11.826 11.360 ( 0.000 -2.318 -1.776) 2.920 11.360 ( 0.000 2.318 -1.776) 2.920 12.416 ( 0.000 -1.612 2.731) 3.171 12.416 ( 0.000 1.612 2.731) 3.171 12.698 ( 0.000 -2.907 -6.122) 6.777 12.698 ( 0.000 2.907 -6.122) 6.777 15.357 ( 0.000 -1.573 9.711) 9.837 15.357 ( 0.000 1.573 9.711) 9.837 15.953 ( 0.000 -2.275 0.050) 2.276 15.953 ( 0.000 2.275 0.050) 2.276 16.100 ( 0.000 -0.010 6.941) 6.941 16.100 ( 0.000 0.010 6.941) 6.941 16.488 ( 0.000 -10.753 -4.174) 11.535 16.488 ( 0.000 10.753 -4.174) 11.535 17.944 ( 0.000 -12.377 11.768) 17.078 17.944 ( 0.000 12.377 11.768) 17.078 18.593 ( 0.000 -0.015 -10.577) 10.577 18.593 ( 0.000 0.015 -10.577) 10.577 19.130 ( 0.000 -0.390 4.255) 4.273 19.130 ( 0.000 0.390 4.255) 4.273 19.535 ( 0.000 -0.482 -4.978) 5.002 19.535 ( 0.000 0.482 -4.978) 5.002 21.339 ( 0.000 -0.015 8.484) 8.484 21.339 ( 0.000 0.015 8.484) 8.484 21.582 ( 0.000 -5.397 3.639) 6.509 21.582 ( 0.000 5.397 3.639) 6.509 22.535 ( 0.000 -7.665 -7.568) 10.772 22.535 ( 0.000 7.665 -7.568) 10.772 22.642 ( 0.000 -1.393 -7.793) 7.917 22.642 ( 0.000 1.393 -7.793) 7.917 ======================= Grid point 155 (57/90) ======================= q-point: ( 0.11 -0.50 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 2.757 0.000 2.403) 3.657 1.212 ( 12.830 0.000 7.808) 15.019 1.775 ( -2.910 0.000 11.353) 11.720 1.904 ( 5.234 0.000 2.896) 5.981 2.095 ( -1.074 0.000 -1.917) 2.197 2.237 ( -4.052 -0.000 17.483) 17.946 2.803 ( -3.267 0.000 3.731) 4.959 2.816 ( -10.115 -0.000 -13.990) 17.264 3.105 ( 3.860 0.000 -10.857) 11.522 3.189 ( 9.813 0.000 13.972) 17.074 3.509 ( 1.399 0.000 13.316) 13.389 3.533 ( -0.554 -0.000 9.573) 9.589 3.863 ( -7.377 0.000 -7.362) 10.422 3.961 ( -6.503 0.000 8.351) 10.585 4.058 ( -0.910 -0.000 6.072) 6.140 4.134 ( 4.031 0.000 -4.841) 6.300 4.269 ( 5.886 0.000 15.911) 16.965 4.315 ( 12.563 0.000 17.198) 21.298 4.950 ( -2.447 0.000 -1.500) 2.871 5.054 ( 1.583 0.000 2.243) 2.745 5.413 ( -4.678 0.000 -4.755) 6.670 5.573 ( 0.115 0.000 -3.869) 3.871 5.612 ( 3.257 -0.000 0.259) 3.267 5.635 ( 1.838 0.000 -5.384) 5.689 6.211 ( -9.649 0.000 1.276) 9.733 6.437 ( 0.887 0.000 5.253) 5.328 6.611 ( -5.833 0.000 -0.930) 5.907 6.707 ( -2.228 0.000 0.824) 2.376 7.130 ( 0.510 -0.000 0.219) 0.555 7.148 ( 1.780 0.000 -1.235) 2.166 7.252 ( -0.920 0.000 1.777) 2.001 7.279 ( 1.073 0.000 -0.157) 1.085 7.685 ( 1.367 0.000 -4.305) 4.517 7.696 ( 2.762 -0.000 -3.430) 4.404 8.290 ( 2.266 0.000 -8.940) 9.223 8.313 ( 3.131 -0.000 -8.676) 9.224 8.995 ( -2.678 0.000 2.651) 3.768 9.081 ( 1.098 0.000 2.754) 2.965 9.457 ( -2.927 0.000 -17.166) 17.414 9.567 ( 1.670 0.000 -17.845) 17.923 10.917 ( -4.154 0.000 12.066) 12.761 11.030 ( 1.117 -0.000 8.313) 8.387 11.289 ( -2.908 0.000 -0.357) 2.930 11.403 ( 0.187 0.000 -2.895) 2.901 12.378 ( -2.192 0.000 1.816) 2.847 12.441 ( 0.916 0.000 3.721) 3.832 12.646 ( -3.692 0.000 -5.707) 6.797 12.685 ( -2.294 -0.000 -4.288) 4.863 15.343 ( -0.931 -0.000 10.369) 10.410 15.359 ( -0.129 0.000 8.733) 8.734 15.891 ( -3.287 0.000 -1.167) 3.488 16.000 ( -1.728 0.000 11.816) 11.942 16.023 ( 3.034 0.000 -0.751) 3.126 16.259 ( 6.474 0.000 4.640) 7.965 16.459 ( 1.333 0.000 -4.947) 5.123 16.497 ( -1.719 0.000 -3.426) 3.833 17.542 ( -20.318 0.000 17.615) 26.891 18.172 ( 5.614 0.000 7.055) 9.016 18.471 ( -6.254 -0.000 -9.408) 11.297 18.674 ( 0.605 0.000 -8.972) 8.993 19.112 ( 0.420 0.000 3.609) 3.634 19.167 ( 1.769 0.000 4.963) 5.269 19.480 ( -1.825 0.000 -5.038) 5.358 19.601 ( 3.039 0.000 -4.825) 5.702 21.310 ( -1.011 0.000 7.830) 7.895 21.341 ( 0.722 0.000 5.639) 5.685 21.631 ( 6.006 -0.000 3.425) 6.914 21.666 ( 4.790 0.000 1.027) 4.899 22.352 ( -9.630 -0.000 -6.858) 11.823 22.584 ( -2.108 0.000 -6.319) 6.661 22.671 ( 1.183 0.000 -8.478) 8.560 22.687 ( 4.509 -0.000 -6.825) 8.180 ======================= Grid point 157 (58/90) ======================= q-point: ( 0.22 -0.50 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 8.353 0.000 -10.551) 13.457 1.438 ( 8.819 0.000 7.286) 11.440 1.703 ( -2.007 0.000 11.638) 11.810 1.919 ( -7.026 0.000 -1.638) 7.215 2.180 ( 4.366 0.000 18.949) 19.446 2.196 ( 9.868 -0.000 -5.555) 11.324 2.605 ( -10.777 0.000 -14.576) 18.127 2.797 ( 0.100 0.000 -6.292) 6.293 3.152 ( 0.980 0.000 -8.033) 8.093 3.340 ( 4.104 0.000 15.725) 16.251 3.500 ( -1.160 0.000 3.949) 4.116 3.582 ( 5.744 0.000 11.284) 12.662 3.731 ( -5.631 0.000 -6.469) 8.576 3.834 ( -5.911 0.000 6.314) 8.649 4.052 ( 0.434 0.000 6.411) 6.426 4.201 ( 2.460 -0.000 -4.802) 5.395 4.378 ( 5.173 0.000 10.385) 11.602 4.598 ( 14.758 0.000 14.939) 20.999 4.917 ( -0.775 0.000 -0.796) 1.111 5.059 ( -1.281 0.000 6.368) 6.495 5.326 ( -3.870 0.000 -6.984) 7.985 5.546 ( -2.226 -0.000 -1.502) 2.685 5.667 ( 0.990 0.000 -1.729) 1.992 5.681 ( 2.212 -0.000 0.990) 2.423 5.996 ( -10.785 0.000 1.140) 10.845 6.402 ( -4.158 0.000 6.574) 7.779 6.521 ( -2.660 0.000 -3.048) 4.045 6.649 ( -2.990 0.000 -1.130) 3.197 7.129 ( -0.680 0.000 0.993) 1.203 7.174 ( 0.042 -0.000 -0.173) 0.178 7.237 ( 0.162 0.000 2.214) 2.220 7.305 ( 1.248 0.000 -0.685) 1.424 7.711 ( 1.119 0.000 -3.787) 3.949 7.756 ( 2.561 -0.000 -1.768) 3.112 8.355 ( 3.953 0.000 -8.859) 9.701 8.387 ( 3.954 -0.000 -8.625) 9.488 8.959 ( -0.519 0.000 2.162) 2.223 9.095 ( 0.355 0.000 3.059) 3.080 9.413 ( -1.269 0.000 -17.748) 17.794 9.581 ( -0.301 0.000 -18.959) 18.961 10.840 ( -3.152 0.000 13.877) 14.231 11.032 ( -1.038 -0.000 7.723) 7.792 11.253 ( -0.760 0.000 0.476) 0.897 11.364 ( -3.570 0.000 -1.919) 4.053 12.335 ( -1.999 0.000 1.516) 2.509 12.451 ( -0.012 0.000 4.155) 4.155 12.567 ( -3.967 0.000 -4.176) 5.760 12.618 ( -4.001 -0.000 -1.796) 4.386 15.323 ( -0.909 -0.000 10.275) 10.315 15.353 ( -0.404 0.000 7.817) 7.827 15.822 ( -3.382 0.000 -2.622) 4.279 15.994 ( 1.262 0.000 13.961) 14.018 16.097 ( 3.597 0.000 -1.478) 3.888 16.304 ( 0.025 0.000 5.466) 5.466 16.417 ( -5.891 -0.000 -0.602) 5.922 16.545 ( 2.681 0.000 0.207) 2.689 17.256 ( -5.276 0.000 14.986) 15.888 18.205 ( -1.332 0.000 4.347) 4.547 18.346 ( -6.207 -0.000 -8.359) 10.412 18.585 ( -8.918 0.000 -4.769) 10.113 19.140 ( 1.759 0.000 3.986) 4.357 19.196 ( 1.100 0.000 5.668) 5.774 19.469 ( 0.701 0.000 -5.262) 5.309 19.646 ( 1.349 0.000 -4.463) 4.663 21.343 ( 4.468 0.000 2.140) 4.954 21.386 ( 3.793 0.000 2.251) 4.411 21.737 ( 2.103 -0.000 -3.209) 3.837 21.775 ( 7.447 0.000 0.689) 7.479 22.171 ( -8.051 -0.000 -4.465) 9.206 22.532 ( -3.046 0.000 -4.161) 5.157 22.686 ( 0.408 0.000 -8.105) 8.115 22.737 ( 0.543 0.000 -5.413) 5.440 ======================= Grid point 159 (59/90) ======================= q-point: ( 0.33 -0.50 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 3.726 0.000 -15.045) 15.500 1.501 ( -4.026 0.000 4.777) 6.247 1.773 ( 9.023 -0.000 2.919) 9.483 1.809 ( 0.627 0.000 -3.029) 3.093 2.324 ( 6.656 -0.000 6.269) 9.144 2.377 ( -5.517 0.000 -14.446) 15.464 2.446 ( 7.694 -0.000 -5.901) 9.696 2.754 ( -4.092 -0.000 -9.699) 10.527 3.156 ( -0.276 0.000 -3.879) 3.889 3.303 ( -5.768 0.000 13.029) 14.248 3.551 ( 4.413 0.000 3.471) 5.614 3.644 ( -2.951 0.000 -5.842) 6.545 3.702 ( 4.813 0.000 8.446) 9.721 3.738 ( -3.374 -0.000 3.322) 4.735 4.084 ( 3.024 0.000 6.453) 7.127 4.229 ( 0.346 -0.000 -4.254) 4.268 4.486 ( 6.092 0.000 6.047) 8.584 4.855 ( 9.796 0.000 9.825) 13.874 4.921 ( 1.275 0.000 0.535) 1.382 4.998 ( -4.938 0.000 10.111) 11.253 5.269 ( -1.626 0.000 -7.547) 7.720 5.498 ( -2.436 -0.000 1.442) 2.831 5.605 ( -9.317 -0.000 -4.309) 10.265 5.663 ( -1.519 0.000 3.478) 3.795 5.903 ( 2.476 0.000 7.257) 7.667 6.288 ( -6.872 0.000 7.814) 10.406 6.504 ( 0.626 0.000 -4.882) 4.922 6.599 ( -2.066 0.000 -3.797) 4.323 7.109 ( -1.031 0.000 1.374) 1.718 7.147 ( -2.024 -0.000 1.062) 2.286 7.264 ( 1.838 0.000 2.174) 2.847 7.321 ( 0.319 0.000 -0.120) 0.341 7.729 ( 0.743 0.000 -3.394) 3.474 7.781 ( -0.006 -0.000 -1.086) 1.086 8.434 ( 3.670 0.000 -8.366) 9.136 8.459 ( 3.040 0.000 -8.384) 8.918 8.980 ( 2.324 0.000 1.504) 2.768 9.095 ( -0.368 0.000 3.061) 3.083 9.411 ( 1.089 0.000 -18.791) 18.823 9.557 ( -1.992 0.000 -20.154) 20.253 10.802 ( -0.542 0.000 14.097) 14.107 10.983 ( -3.893 0.000 8.186) 9.064 11.250 ( 0.254 -0.000 0.937) 0.971 11.294 ( -2.755 0.000 0.229) 2.764 12.309 ( -0.321 0.000 1.903) 1.930 12.434 ( -1.779 0.000 3.989) 4.368 12.500 ( -2.550 0.000 -2.798) 3.786 12.539 ( -3.627 -0.000 -0.739) 3.701 15.310 ( -0.318 0.000 9.417) 9.422 15.343 ( -0.701 0.000 7.317) 7.351 15.778 ( -0.418 0.000 -3.366) 3.392 16.026 ( 0.541 0.000 10.188) 10.203 16.137 ( -0.172 0.000 -0.428) 0.461 16.301 ( -0.517 -0.000 8.910) 8.925 16.315 ( -2.165 0.000 6.343) 6.702 16.487 ( -6.237 0.000 12.047) 13.566 17.358 ( 12.668 0.000 1.522) 12.759 18.140 ( -5.246 0.000 2.088) 5.646 18.235 ( -4.589 0.000 -7.159) 8.503 18.366 ( -11.664 0.000 -3.160) 12.085 19.170 ( 1.244 0.000 5.357) 5.500 19.209 ( 0.242 0.000 6.169) 6.174 19.504 ( 2.575 0.000 -5.128) 5.738 19.652 ( -0.748 0.000 -4.147) 4.213 21.465 ( 7.049 0.000 -3.624) 7.926 21.485 ( 5.985 0.000 -1.359) 6.137 21.748 ( -0.899 0.000 -6.520) 6.582 21.865 ( -0.950 0.000 -8.366) 8.420 22.082 ( 1.475 0.000 3.811) 4.087 22.458 ( -4.574 0.000 -2.218) 5.083 22.689 ( -0.078 0.000 -7.028) 7.028 22.723 ( -1.454 -0.000 -4.186) 4.431 ======================= Grid point 161 (60/90) ======================= q-point: ( 0.44 -0.50 0.30) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 4.328 0.000 -9.053) 10.034 1.362 ( -7.405 0.000 -2.534) 7.827 1.909 ( 6.943 -0.000 -10.589) 12.662 1.967 ( 5.767 0.000 -14.137) 15.268 2.236 ( -2.231 0.000 -4.955) 5.434 2.337 ( -6.086 0.000 -3.507) 7.024 2.641 ( 7.156 0.000 -6.352) 9.568 2.702 ( -0.552 -0.000 -4.675) 4.707 3.147 ( -0.148 0.000 1.344) 1.353 3.187 ( -4.619 0.000 8.715) 9.864 3.606 ( 0.607 0.000 -0.161) 0.628 3.610 ( -0.619 0.000 -3.684) 3.735 3.718 ( 1.409 0.000 4.557) 4.770 3.746 ( -0.235 -0.000 6.106) 6.110 4.160 ( 3.771 0.000 3.115) 4.891 4.215 ( -1.717 -0.000 -1.752) 2.453 4.638 ( 9.360 0.000 5.597) 10.906 4.836 ( -9.421 0.000 8.645) 12.786 4.961 ( 2.311 0.000 1.732) 2.888 4.981 ( 1.338 0.000 4.450) 4.647 5.274 ( 2.442 0.000 -6.273) 6.731 5.376 ( -7.772 0.000 -5.103) 9.298 5.539 ( 2.361 -0.000 5.999) 6.447 5.609 ( -3.662 0.000 6.952) 7.858 6.003 ( 6.449 0.000 8.390) 10.582 6.143 ( -7.405 0.000 8.502) 11.275 6.530 ( 1.637 0.000 -5.728) 5.958 6.563 ( -1.660 -0.000 -5.452) 5.700 7.097 ( -0.029 0.000 1.812) 1.812 7.111 ( -1.381 -0.000 1.773) 2.247 7.297 ( 1.387 0.000 1.742) 2.226 7.317 ( -0.654 0.000 0.876) 1.093 7.745 ( 0.913 0.000 -2.884) 3.025 7.766 ( -1.152 -0.000 -1.872) 2.198 8.490 ( 1.753 0.000 -7.930) 8.121 8.499 ( 0.861 0.000 -8.001) 8.047 9.034 ( 2.723 0.000 1.753) 3.238 9.077 ( -1.510 0.000 2.521) 2.939 9.450 ( 2.636 0.000 -19.994) 20.167 9.507 ( -2.852 0.000 -20.654) 20.850 10.821 ( 2.415 0.000 12.686) 12.914 10.893 ( -4.564 0.000 10.246) 11.217 11.256 ( 0.239 -0.000 1.191) 1.215 11.263 ( -0.654 0.000 1.189) 1.357 12.327 ( 2.048 0.000 2.620) 3.325 12.382 ( -3.148 0.000 3.392) 4.628 12.470 ( -0.373 0.000 -1.710) 1.750 12.485 ( -1.775 -0.000 -0.928) 2.003 15.312 ( 0.442 0.000 8.291) 8.303 15.326 ( -0.884 0.000 7.469) 7.521 15.819 ( 4.569 0.000 -3.703) 5.881 15.944 ( -7.127 0.000 -3.542) 7.959 16.171 ( 3.998 0.000 16.377) 16.858 16.259 ( -3.976 0.000 16.291) 16.769 16.333 ( 2.292 0.000 7.077) 7.439 16.384 ( -3.322 0.000 9.026) 9.618 17.656 ( 15.930 0.000 -2.335) 16.100 17.958 ( -13.392 0.000 -1.163) 13.442 18.175 ( -1.189 0.000 -5.242) 5.375 18.199 ( -4.108 0.000 -3.280) 5.257 19.192 ( 0.944 0.000 6.137) 6.209 19.206 ( -0.504 0.000 6.354) 6.374 19.562 ( 3.120 0.000 -4.589) 5.549 19.619 ( -2.409 0.000 -4.167) 4.814 21.597 ( 5.667 -0.000 -6.323) 8.491 21.612 ( 6.054 0.000 -4.198) 7.367 21.708 ( -2.639 0.000 -8.636) 9.031 21.767 ( -6.543 0.000 -8.996) 11.123 22.196 ( 7.610 0.000 3.309) 8.298 22.344 ( -6.831 0.000 0.170) 6.833 22.688 ( 0.076 0.000 -5.583) 5.583 22.697 ( -0.934 -0.000 -4.323) 4.423 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.000 0.000 5.586) 5.586 1.696 ( 0.000 0.000 11.457) 11.457 1.787 ( 0.000 0.000 -9.414) 9.414 2.039 ( 0.000 0.000 12.428) 12.428 2.067 ( 0.000 0.000 8.686) 8.686 2.194 ( 0.000 0.000 6.057) 6.057 2.692 ( 0.000 0.000 -16.675) 16.675 2.849 ( 0.000 0.000 -11.458) 11.458 3.134 ( 0.000 0.000 3.842) 3.842 3.281 ( 0.000 0.000 18.931) 18.931 3.353 ( 0.000 0.000 0.055) 0.055 3.850 ( 0.000 0.000 -1.026) 1.026 3.860 ( 0.000 0.000 -9.420) 9.420 3.921 ( 0.000 0.000 3.637) 3.637 4.089 ( 0.000 0.000 7.089) 7.089 4.145 ( 0.000 0.000 4.515) 4.515 4.567 ( 0.000 0.000 25.185) 25.185 4.844 ( 0.000 0.000 4.785) 4.785 4.886 ( 0.000 0.000 7.474) 7.474 4.998 ( 0.000 0.000 -0.156) 0.156 5.325 ( 0.000 0.000 -5.213) 5.213 5.445 ( 0.000 0.000 -5.398) 5.398 5.481 ( 0.000 0.000 1.841) 1.841 5.664 ( 0.000 0.000 -8.519) 8.519 6.274 ( 0.000 0.000 11.237) 11.237 6.625 ( 0.000 0.000 -1.464) 1.464 6.636 ( 0.000 0.000 3.315) 3.315 6.769 ( 0.000 0.000 -0.636) 0.636 7.083 ( 0.000 0.000 3.378) 3.378 7.210 ( 0.000 0.000 0.049) 0.049 7.257 ( 0.000 0.000 -0.769) 0.769 7.295 ( 0.000 0.000 2.347) 2.347 7.483 ( 0.000 0.000 -0.895) 0.895 7.688 ( 0.000 0.000 -1.055) 1.055 7.952 ( 0.000 0.000 -23.555) 23.555 8.028 ( 0.000 0.000 -13.803) 13.803 9.099 ( 0.000 0.000 4.609) 4.609 9.103 ( 0.000 0.000 1.597) 1.597 9.212 ( 0.000 0.000 -6.421) 6.421 9.332 ( 0.000 0.000 -9.363) 9.363 11.090 ( 0.000 0.000 8.545) 8.545 11.233 ( 0.000 0.000 1.498) 1.498 11.270 ( 0.000 0.000 -2.006) 2.006 11.320 ( 0.000 0.000 -4.033) 4.033 12.422 ( 0.000 0.000 -0.628) 0.628 12.456 ( 0.000 0.000 -3.709) 3.709 12.625 ( 0.000 0.000 2.432) 2.432 12.689 ( 0.000 0.000 0.025) 0.025 15.492 ( 0.000 0.000 5.367) 5.367 15.678 ( 0.000 0.000 11.870) 11.870 15.730 ( 0.000 0.000 -5.575) 5.575 15.983 ( 0.000 0.000 -2.918) 2.918 16.190 ( 0.000 0.000 3.127) 3.127 16.223 ( 0.000 0.000 0.884) 0.884 16.266 ( 0.000 0.000 8.781) 8.781 16.608 ( 0.000 0.000 -7.419) 7.419 17.890 ( 0.000 0.000 12.140) 12.140 18.335 ( 0.000 0.000 -11.641) 11.641 18.398 ( 0.000 0.000 1.757) 1.757 18.497 ( 0.000 0.000 -3.070) 3.070 19.202 ( 0.000 0.000 4.333) 4.333 19.241 ( 0.000 0.000 5.018) 5.018 19.400 ( 0.000 0.000 -5.304) 5.304 19.452 ( 0.000 0.000 -5.385) 5.385 21.478 ( 0.000 0.000 5.607) 5.607 21.519 ( 0.000 0.000 9.164) 9.164 21.542 ( 0.000 0.000 1.582) 1.582 21.821 ( 0.000 0.000 -5.419) 5.419 22.183 ( 0.000 0.000 4.535) 4.535 22.440 ( 0.000 0.000 -8.205) 8.205 22.548 ( 0.000 0.000 -4.587) 4.587 22.555 ( 0.000 0.000 -4.906) 4.906 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.11 0.00 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 5.449 0.000 8.404) 10.016 1.708 ( 1.717 0.000 5.941) 6.184 1.768 ( -16.668 0.000 10.359) 19.624 1.826 ( 2.870 0.000 -4.776) 5.572 2.070 ( 0.330 0.000 3.521) 3.536 2.404 ( 11.020 0.000 7.342) 13.242 2.564 ( -9.533 0.000 -16.879) 19.385 2.880 ( -3.460 0.000 -0.808) 3.553 3.003 ( -3.193 0.000 3.112) 4.459 3.358 ( 0.747 0.000 -2.143) 2.270 3.411 ( 7.394 0.000 9.437) 11.988 3.726 ( -5.299 0.000 -2.960) 6.070 3.931 ( 0.751 0.000 4.324) 4.389 3.978 ( 3.718 0.000 -6.728) 7.687 3.978 ( -9.338 0.000 6.880) 11.599 4.115 ( -1.756 0.000 2.681) 3.205 4.588 ( 0.899 0.000 19.423) 19.444 4.802 ( -2.194 0.000 3.305) 3.967 4.948 ( 5.794 0.000 11.798) 13.143 5.070 ( 5.161 0.000 3.038) 5.989 5.318 ( -6.354 0.000 -2.836) 6.958 5.341 ( 1.704 0.000 -5.494) 5.752 5.605 ( 5.964 0.000 -0.317) 5.972 5.684 ( 1.687 0.000 -8.695) 8.857 6.194 ( -7.063 0.000 10.066) 12.297 6.545 ( -6.270 0.000 -3.496) 7.179 6.624 ( -1.656 0.000 5.307) 5.560 6.755 ( -1.641 0.000 2.357) 2.872 7.121 ( 2.388 0.000 1.828) 3.008 7.200 ( -0.949 0.000 -0.057) 0.951 7.259 ( 0.297 0.000 -0.744) 0.801 7.299 ( 0.307 0.000 1.052) 1.096 7.502 ( 2.065 0.000 -0.021) 2.065 7.725 ( 3.448 0.000 -0.863) 3.555 7.984 ( 3.053 0.000 -22.831) 23.034 8.059 ( 2.914 0.000 -13.637) 13.945 9.062 ( -2.249 0.000 4.209) 4.772 9.124 ( 0.781 0.000 1.852) 2.010 9.197 ( -1.243 0.000 -5.698) 5.832 9.327 ( -0.642 0.000 -10.222) 10.243 11.078 ( -1.055 0.000 8.692) 8.756 11.223 ( -0.571 0.000 0.456) 0.730 11.281 ( 0.708 0.000 -1.210) 1.402 11.295 ( -2.460 0.000 -2.400) 3.437 12.412 ( -0.861 0.000 -0.735) 1.132 12.431 ( -2.264 0.000 -2.923) 3.697 12.620 ( -0.546 0.000 1.922) 1.998 12.669 ( -2.038 0.000 0.238) 2.052 15.480 ( -1.060 0.000 5.471) 5.573 15.665 ( -1.413 0.000 12.034) 12.117 15.708 ( -1.923 0.000 -5.229) 5.571 15.999 ( 1.287 0.000 -3.801) 4.013 16.195 ( 1.156 0.000 6.732) 6.831 16.242 ( 1.846 0.000 1.666) 2.487 16.336 ( 6.291 0.000 3.177) 7.047 16.575 ( -3.059 0.000 -6.311) 7.014 17.764 ( -10.234 0.000 14.862) 18.044 18.276 ( -4.910 0.000 -11.554) 12.554 18.400 ( -0.701 0.000 2.230) 2.337 18.530 ( 1.029 0.000 -3.226) 3.386 19.187 ( -0.180 0.000 3.686) 3.690 19.276 ( 2.306 0.000 5.455) 5.922 19.367 ( -1.540 0.000 -5.237) 5.459 19.500 ( 3.010 0.000 -5.504) 6.273 21.451 ( -2.140 0.000 6.397) 6.746 21.471 ( -1.908 0.000 6.536) 6.809 21.610 ( 3.623 0.000 1.272) 3.840 21.794 ( -2.408 0.000 -7.179) 7.573 22.163 ( -1.475 0.000 5.046) 5.257 22.450 ( 1.006 0.000 -8.183) 8.244 22.547 ( -0.370 0.000 -3.295) 3.315 22.588 ( 2.621 0.000 -5.051) 5.690 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.22 0.00 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -14.523 0.000 8.776) 16.969 1.558 ( -4.220 0.000 8.804) 9.764 1.841 ( 11.524 0.000 -2.080) 11.710 1.851 ( -2.480 0.000 1.540) 2.919 2.113 ( 5.083 0.000 -4.359) 6.696 2.348 ( -12.569 0.000 -16.606) 20.827 2.559 ( 4.258 0.000 5.101) 6.644 2.749 ( -5.120 0.000 10.570) 11.744 3.027 ( 2.160 0.000 -3.679) 4.266 3.393 ( 2.761 0.000 -7.403) 7.901 3.532 ( 4.580 0.000 5.447) 7.116 3.660 ( -1.165 0.000 1.116) 1.613 3.777 ( -9.741 0.000 6.229) 11.562 3.934 ( -0.871 0.000 4.784) 4.863 3.945 ( -4.761 0.000 -6.193) 7.812 4.138 ( 2.363 0.000 -3.629) 4.331 4.592 ( 0.203 0.000 11.862) 11.864 4.787 ( 0.750 0.000 2.209) 2.333 5.070 ( 4.853 0.000 15.700) 16.433 5.151 ( 2.049 0.000 5.145) 5.538 5.234 ( -1.214 0.000 1.242) 1.737 5.395 ( 3.777 0.000 -4.316) 5.736 5.661 ( -2.188 0.000 -1.617) 2.720 5.715 ( 1.218 0.000 -9.951) 10.025 6.061 ( -3.979 0.000 10.447) 11.179 6.438 ( -3.512 0.000 -4.597) 5.785 6.559 ( -4.806 0.000 7.955) 9.294 6.705 ( -3.274 0.000 3.414) 4.730 7.138 ( -0.639 0.000 0.583) 0.865 7.179 ( -1.077 0.000 -0.198) 1.095 7.268 ( 0.494 0.000 -1.375) 1.461 7.304 ( 0.149 0.000 -1.194) 1.204 7.564 ( 3.789 0.000 1.869) 4.225 7.801 ( 3.464 0.000 0.229) 3.472 8.064 ( 4.697 0.000 -21.332) 21.843 8.133 ( 4.226 0.000 -13.182) 13.843 9.023 ( -1.306 0.000 4.045) 4.251 9.135 ( 0.302 0.000 0.993) 1.038 9.173 ( -0.980 0.000 -4.769) 4.869 9.301 ( -2.014 0.000 -11.505) 11.680 11.055 ( -1.114 0.000 9.111) 9.179 11.219 ( 0.177 0.000 -0.469) 0.501 11.229 ( -3.915 0.000 1.309) 4.128 11.290 ( 0.049 0.000 -0.956) 0.957 12.378 ( -2.644 0.000 -1.122) 2.872 12.396 ( -0.602 0.000 -1.099) 1.253 12.599 ( -1.640 0.000 0.719) 1.791 12.608 ( -4.052 0.000 0.859) 4.142 15.458 ( -0.917 0.000 5.669) 5.743 15.620 ( -2.933 0.000 11.778) 12.137 15.669 ( -1.514 0.000 -4.622) 4.863 16.012 ( -0.680 0.000 -6.402) 6.438 16.243 ( 3.621 0.000 8.321) 9.075 16.293 ( 3.178 0.000 3.325) 4.599 16.483 ( 7.386 0.000 -1.307) 7.501 16.508 ( -2.911 0.000 -2.248) 3.678 17.575 ( -7.100 0.000 17.831) 19.192 18.166 ( -5.644 0.000 -11.870) 13.143 18.354 ( -3.923 0.000 3.090) 4.994 18.473 ( -7.026 0.000 -1.776) 7.247 19.209 ( 2.175 0.000 3.121) 3.804 19.317 ( 1.633 0.000 5.874) 6.097 19.362 ( 1.053 0.000 -4.973) 5.083 19.548 ( 1.656 0.000 -5.449) 5.695 21.422 ( -0.189 0.000 5.152) 5.156 21.455 ( 0.257 0.000 4.530) 4.537 21.657 ( 0.788 0.000 -3.897) 3.976 21.736 ( -3.191 0.000 -8.967) 9.518 22.150 ( 0.641 0.000 7.042) 7.071 22.477 ( 1.613 0.000 -7.757) 7.923 22.525 ( -1.970 0.000 -0.819) 2.133 22.631 ( 1.284 0.000 -5.551) 5.698 ======================= Grid point 183 (64/90) ======================= q-point: ( 0.33 0.00 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -5.210 0.000 2.667) 5.853 1.461 ( -3.309 0.000 -1.352) 3.574 1.714 ( -10.472 0.000 1.395) 10.565 2.011 ( -9.134 0.000 -10.106) 13.622 2.147 ( 6.591 0.000 -7.582) 10.046 2.257 ( 8.271 0.000 -5.937) 10.182 2.584 ( -1.199 0.000 1.925) 2.268 2.684 ( -3.022 0.000 4.291) 5.249 3.081 ( 3.970 0.000 1.969) 4.431 3.453 ( 3.019 0.000 -9.356) 9.831 3.532 ( -6.739 0.000 6.670) 9.482 3.656 ( -0.867 0.000 2.381) 2.534 3.671 ( 1.366 0.000 3.967) 4.196 3.885 ( 0.577 0.000 -8.176) 8.196 3.892 ( -3.207 0.000 5.800) 6.627 4.152 ( -1.259 0.000 -6.356) 6.479 4.629 ( 4.038 0.000 7.582) 8.590 4.833 ( 4.061 0.000 0.249) 4.069 5.085 ( -3.783 0.000 12.390) 12.955 5.173 ( 1.446 0.000 4.354) 4.588 5.242 ( 0.101 0.000 10.160) 10.160 5.497 ( 6.317 0.000 -1.445) 6.480 5.503 ( -11.523 0.000 -2.696) 11.834 5.728 ( -0.016 0.000 -9.942) 9.942 6.076 ( 4.257 0.000 10.775) 11.586 6.417 ( 1.120 0.000 -4.248) 4.394 6.444 ( -6.444 0.000 9.652) 11.606 6.630 ( -4.155 0.000 2.184) 4.693 7.118 ( -0.909 0.000 0.676) 1.133 7.153 ( -1.487 0.000 -0.133) 1.493 7.277 ( 0.397 0.000 -2.441) 2.473 7.302 ( -0.321 0.000 -2.836) 2.854 7.643 ( 4.089 0.000 3.189) 5.185 7.838 ( -0.079 0.000 2.402) 2.403 8.157 ( 4.389 0.000 -19.736) 20.218 8.213 ( 3.372 0.000 -13.238) 13.661 9.021 ( 1.256 0.000 2.365) 2.678 9.134 ( -0.484 0.000 0.366) 0.607 9.163 ( -0.076 0.000 -5.006) 5.007 9.252 ( -2.755 0.000 -11.589) 11.912 11.040 ( -0.284 0.000 9.473) 9.477 11.150 ( -3.782 0.000 5.093) 6.344 11.229 ( 0.834 0.000 -1.126) 1.402 11.284 ( -0.581 0.000 -1.146) 1.285 12.340 ( -0.882 0.000 0.697) 1.124 12.396 ( 0.789 0.000 -1.565) 1.753 12.514 ( -5.110 0.000 1.611) 5.358 12.553 ( -2.892 0.000 -0.582) 2.950 15.448 ( 0.041 0.000 6.115) 6.115 15.557 ( -3.224 0.000 10.491) 10.975 15.662 ( 1.116 0.000 -4.508) 4.644 15.953 ( -5.129 0.000 -8.439) 9.876 16.334 ( 5.255 0.000 8.579) 10.061 16.362 ( 3.611 0.000 4.615) 5.860 16.477 ( -0.397 0.000 2.962) 2.988 16.581 ( 1.583 0.000 0.548) 1.675 17.535 ( 3.767 0.000 14.351) 14.837 18.074 ( -3.088 0.000 -10.512) 10.956 18.250 ( -6.137 0.000 1.300) 6.273 18.269 ( -12.838 0.000 0.374) 12.844 19.258 ( 2.478 0.000 3.910) 4.629 19.337 ( 0.378 0.000 6.020) 6.032 19.405 ( 3.100 0.000 -4.481) 5.448 19.561 ( -0.416 0.000 -5.051) 5.068 21.449 ( 2.697 0.000 0.934) 2.855 21.478 ( 1.905 0.000 1.294) 2.303 21.640 ( -2.171 0.000 -6.561) 6.911 21.669 ( -3.516 0.000 -8.690) 9.375 22.195 ( 3.682 0.000 7.716) 8.549 22.467 ( -3.740 0.000 1.593) 4.065 22.513 ( 1.954 0.000 -7.076) 7.341 22.633 ( -0.987 0.000 -5.962) 6.043 ======================= Grid point 184 (65/90) ======================= q-point: ( 0.44 0.00 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 7.038 0.000 -2.479) 7.462 1.472 ( -12.772 0.000 -2.113) 12.945 1.490 ( 6.820 0.000 -10.259) 12.319 1.716 ( -14.793 0.000 -14.136) 20.461 2.381 ( 11.778 0.000 -2.960) 12.145 2.413 ( 7.004 0.000 -4.070) 8.101 2.527 ( -4.385 0.000 -1.350) 4.588 2.580 ( -7.809 0.000 -1.236) 7.906 3.199 ( 7.594 0.000 5.962) 9.655 3.365 ( -8.788 0.000 6.581) 10.979 3.518 ( 3.674 0.000 -6.659) 7.605 3.598 ( -4.130 0.000 -2.883) 5.037 3.734 ( 3.868 0.000 5.370) 6.618 3.816 ( -4.223 0.000 6.170) 7.477 3.970 ( 6.305 0.000 -7.163) 9.543 4.089 ( -4.956 0.000 -7.201) 8.741 4.758 ( 8.613 0.000 6.235) 10.633 4.945 ( -9.262 0.000 7.951) 12.206 4.958 ( 8.483 0.000 0.147) 8.484 5.146 ( -8.209 0.000 3.922) 9.098 5.241 ( 2.511 0.000 9.662) 9.982 5.314 ( -5.435 0.000 1.948) 5.774 5.622 ( 5.643 0.000 -2.402) 6.133 5.705 ( -2.575 0.000 -6.452) 6.947 6.185 ( 6.124 0.000 10.749) 12.371 6.312 ( -6.619 0.000 10.525) 12.434 6.466 ( 3.490 0.000 -2.661) 4.388 6.545 ( -4.238 0.000 -0.195) 4.242 7.111 ( 0.201 0.000 0.717) 0.744 7.125 ( -1.194 0.000 0.339) 1.241 7.284 ( 0.390 0.000 -3.260) 3.283 7.293 ( -0.497 0.000 -3.478) 3.513 7.725 ( 4.140 0.000 3.964) 5.732 7.802 ( -3.235 0.000 3.926) 5.087 8.229 ( 2.644 0.000 -17.571) 17.769 8.253 ( 0.432 0.000 -14.929) 14.935 9.064 ( 2.637 0.000 0.660) 2.718 9.111 ( -1.847 0.000 0.090) 1.849 9.171 ( 0.930 0.000 -6.900) 6.962 9.201 ( -2.125 0.000 -9.722) 9.951 11.047 ( 1.137 0.000 9.202) 9.272 11.085 ( -2.651 0.000 7.810) 8.247 11.249 ( 1.041 0.000 -1.465) 1.797 11.269 ( -0.919 0.000 -1.414) 1.687 12.351 ( 1.999 0.000 1.830) 2.710 12.417 ( -4.394 0.000 2.067) 4.856 12.429 ( 2.487 0.000 -1.787) 3.063 12.489 ( -3.359 0.000 -1.487) 3.673 15.461 ( 1.277 0.000 7.124) 7.237 15.499 ( -2.459 0.000 8.710) 9.051 15.718 ( 4.443 0.000 -5.482) 7.057 15.831 ( -6.466 0.000 -7.346) 9.786 16.429 ( 2.904 0.000 5.267) 6.015 16.445 ( 5.692 0.000 8.099) 9.899 16.469 ( -0.977 0.000 5.208) 5.299 16.548 ( -4.164 0.000 5.711) 7.067 17.708 ( 12.509 0.000 7.183) 14.424 17.988 ( -14.760 0.000 2.835) 15.029 18.057 ( 1.562 0.000 -7.148) 7.316 18.130 ( -5.369 0.000 -2.620) 5.974 19.303 ( 1.903 0.000 5.077) 5.422 19.331 ( -0.925 0.000 5.809) 5.882 19.473 ( 3.443 0.000 -4.272) 5.486 19.533 ( -2.340 0.000 -4.538) 5.106 21.518 ( 3.915 0.000 -3.538) 5.277 21.526 ( 2.821 0.000 -2.308) 3.645 21.586 ( -3.068 0.000 -5.355) 6.171 21.596 ( -3.863 0.000 -6.812) 7.831 22.283 ( 4.897 0.000 6.115) 7.834 22.381 ( -4.797 0.000 3.881) 6.170 22.555 ( 2.243 0.000 -6.520) 6.895 22.600 ( -2.152 0.000 -6.208) 6.570 ======================= Grid point 189 (66/90) ======================= q-point: ( 0.00 0.25 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 0.000 -9.173 10.995) 14.319 1.472 ( 0.000 -16.092 18.649) 24.632 1.791 ( 0.000 1.126 -7.321) 7.407 2.000 ( 0.000 -7.028 -0.267) 7.033 2.158 ( 0.000 9.516 8.637) 12.851 2.300 ( 0.000 5.991 6.499) 8.839 2.692 ( 0.000 -0.129 -15.891) 15.892 2.771 ( 0.000 -6.158 -13.866) 15.172 3.154 ( 0.000 2.500 7.779) 8.171 3.260 ( 0.000 -2.024 16.681) 16.803 3.474 ( 0.000 10.357 1.082) 10.414 3.825 ( 0.000 -4.070 -9.674) 10.495 3.863 ( 0.000 1.433 -0.973) 1.732 3.993 ( 0.000 6.161 1.271) 6.290 3.996 ( 0.000 -6.623 8.522) 10.793 4.153 ( 0.000 -0.905 1.599) 1.838 4.598 ( 0.000 3.395 26.060) 26.280 4.794 ( 0.000 -3.960 15.268) 15.773 4.955 ( 0.000 4.576 2.412) 5.173 5.013 ( 0.000 1.116 0.274) 1.149 5.361 ( 0.000 3.716 -5.324) 6.493 5.461 ( 0.000 1.460 -4.629) 4.854 5.483 ( 0.000 0.031 0.628) 0.628 5.595 ( 0.000 -6.127 -7.208) 9.460 6.333 ( 0.000 5.501 8.775) 10.357 6.581 ( 0.000 -5.255 3.993) 6.599 6.650 ( 0.000 2.400 -2.018) 3.136 6.752 ( 0.000 -1.848 -1.591) 2.439 7.071 ( 0.000 -0.278 2.082) 2.101 7.167 ( 0.000 -3.750 0.419) 3.773 7.261 ( 0.000 0.136 -1.304) 1.311 7.292 ( 0.000 -0.995 0.528) 1.126 7.524 ( 0.000 4.301 -0.080) 4.302 7.675 ( 0.000 -1.600 -0.662) 1.731 7.971 ( 0.000 1.680 -20.977) 21.045 8.022 ( 0.000 -0.652 -14.511) 14.526 9.102 ( 0.000 0.251 4.188) 4.195 9.105 ( 0.000 0.168 2.043) 2.050 9.231 ( 0.000 1.835 -6.775) 7.019 9.315 ( 0.000 -1.679 -8.836) 8.994 11.099 ( 0.000 1.143 7.780) 7.864 11.198 ( 0.000 -3.077 2.856) 4.199 11.281 ( 0.000 1.028 -2.506) 2.708 11.319 ( 0.000 -0.383 -3.999) 4.017 12.421 ( 0.000 1.072 0.753) 1.309 12.511 ( 0.000 4.470 -4.084) 6.055 12.564 ( 0.000 -4.985 3.483) 6.081 12.674 ( 0.000 -2.264 -2.009) 3.027 15.500 ( 0.000 1.647 7.703) 7.877 15.642 ( 0.000 -3.505 11.783) 12.293 15.802 ( 0.000 6.013 -6.056) 8.534 15.965 ( 0.000 -1.905 -3.386) 3.885 16.198 ( 0.000 0.917 3.705) 3.817 16.252 ( 0.000 -1.326 7.686) 7.800 16.272 ( 0.000 5.054 -0.569) 5.086 16.548 ( 0.000 -5.970 -6.727) 8.994 17.962 ( 0.000 7.107 11.044) 13.133 18.318 ( 0.000 -7.778 4.036) 8.762 18.358 ( 0.000 2.317 -10.431) 10.685 18.473 ( 0.000 -2.386 -4.647) 5.224 19.207 ( 0.000 0.529 4.574) 4.604 19.235 ( 0.000 -0.591 4.992) 5.027 19.410 ( 0.000 0.899 -5.404) 5.479 19.446 ( 0.000 -0.637 -5.418) 5.455 21.483 ( 0.000 0.499 5.917) 5.938 21.512 ( 0.000 -0.723 8.433) 8.464 21.563 ( 0.000 2.217 1.495) 2.674 21.738 ( 0.000 -6.384 -1.812) 6.636 22.283 ( 0.000 8.069 0.355) 8.076 22.458 ( 0.000 1.750 -7.504) 7.706 22.520 ( 0.000 -3.094 -4.387) 5.368 22.539 ( 0.000 -1.630 -5.183) 5.433 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.11 0.25 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -2.162 -13.646 16.426) 21.464 1.554 ( 6.996 -10.683 11.011) 16.862 1.837 ( 3.828 1.218 -6.562) 7.694 1.964 ( -11.434 11.046 6.661) 17.237 2.009 ( 0.905 -5.829 -0.027) 5.899 2.426 ( 2.166 1.966 -0.033) 2.925 2.562 ( -4.743 -1.728 -10.857) 11.973 2.834 ( -1.571 -3.614 -7.148) 8.162 3.002 ( -5.158 0.470 8.417) 9.883 3.389 ( 5.788 1.864 8.710) 10.622 3.483 ( 1.483 7.001 -1.142) 7.247 3.721 ( -5.126 -0.673 -2.677) 5.822 3.909 ( -4.344 -5.177 8.813) 11.106 3.977 ( 2.223 0.766 -4.420) 5.006 3.985 ( -1.401 2.656 -1.386) 3.308 4.112 ( -2.361 -0.337 1.276) 2.705 4.618 ( 1.080 3.126 20.881) 21.142 4.829 ( 2.436 0.815 12.390) 12.653 4.949 ( 2.339 0.551 7.839) 8.199 5.091 ( 5.215 1.724 2.829) 6.178 5.322 ( -6.164 0.567 -3.286) 7.009 5.383 ( 1.157 4.002 -5.535) 6.928 5.609 ( 5.829 0.034 -1.007) 5.916 5.613 ( 1.469 -6.051 -7.086) 9.433 6.233 ( -8.298 3.138 7.371) 11.534 6.549 ( -6.987 0.389 -4.244) 8.184 6.595 ( -0.187 -2.462 5.948) 6.440 6.753 ( -1.343 -0.248 2.052) 2.465 7.109 ( 2.756 -0.766 0.764) 2.961 7.165 ( -0.256 -2.660 0.293) 2.688 7.259 ( -0.076 -0.162 -1.410) 1.421 7.289 ( -0.222 -1.230 -0.108) 1.254 7.551 ( 2.584 4.638 0.489) 5.332 7.709 ( 3.154 -1.870 -0.489) 3.699 8.001 ( 2.894 1.539 -20.518) 20.779 8.053 ( 2.854 -0.701 -14.479) 14.774 9.062 ( -2.355 0.076 4.148) 4.771 9.127 ( 0.737 0.212 1.939) 2.085 9.212 ( -1.558 1.332 -5.902) 6.248 9.314 ( -0.411 -1.258 -9.873) 9.961 11.084 ( -1.357 0.684 7.971) 8.115 11.198 ( -0.165 -2.540 2.867) 3.834 11.260 ( -1.479 -0.418 -1.995) 2.519 11.322 ( -0.253 1.103 -3.317) 3.505 12.403 ( -1.641 0.533 0.806) 1.904 12.488 ( -2.050 4.108 -3.478) 5.760 12.566 ( 0.002 -4.208 2.921) 5.123 12.658 ( -1.665 -1.839 -1.629) 2.968 15.491 ( -0.880 1.672 7.408) 7.646 15.628 ( -1.377 -3.366 11.760) 12.309 15.771 ( -2.795 5.051 -5.447) 7.937 15.982 ( 1.306 -1.623 -4.577) 5.029 16.197 ( 0.967 0.153 7.441) 7.505 16.283 ( 1.379 3.976 0.859) 4.295 16.333 ( 6.615 0.008 1.919) 6.888 16.525 ( -2.075 -4.915 -5.639) 7.763 17.805 ( -12.000 3.610 14.333) 19.039 18.282 ( -5.692 0.470 -10.496) 11.949 18.350 ( 0.940 -4.299 3.999) 5.946 18.526 ( 2.005 -0.446 -5.043) 5.445 19.187 ( -0.305 0.043 3.879) 3.891 19.274 ( 2.380 -0.165 5.500) 5.995 19.372 ( -1.673 0.338 -5.286) 5.555 19.498 ( 3.087 -0.122 -5.528) 6.333 21.454 ( -1.967 0.318 6.317) 6.624 21.471 ( -2.271 -0.023 7.076) 7.432 21.618 ( 3.285 1.048 0.299) 3.461 21.736 ( -0.302 -4.604 -4.221) 6.254 22.225 ( -4.189 4.717 1.969) 6.609 22.465 ( 0.792 1.436 -7.520) 7.697 22.530 ( 0.027 -1.606 -3.643) 3.981 22.580 ( 3.431 -0.713 -5.044) 6.142 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.22 0.25 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -5.974 -11.854 13.891) 19.214 1.654 ( -1.286 -1.666 3.139) 3.779 1.789 ( -5.376 2.569 7.800) 9.815 1.905 ( 4.777 1.733 -2.684) 5.747 2.081 ( 6.650 -2.679 -6.641) 9.773 2.275 ( -11.610 -3.230 -13.854) 18.361 2.592 ( 2.245 -0.766 2.970) 3.801 2.694 ( -7.528 -3.863 4.572) 9.618 3.020 ( 3.187 -0.121 -2.038) 3.785 3.447 ( 1.112 4.835 -6.202) 7.943 3.545 ( 3.731 0.722 4.189) 5.656 3.642 ( -3.453 -1.608 2.541) 4.579 3.791 ( -5.874 1.610 7.293) 9.501 3.915 ( -3.176 -1.236 2.132) 4.020 4.000 ( -1.031 3.852 -5.677) 6.938 4.120 ( 2.312 -1.708 -3.492) 4.522 4.626 ( 0.049 3.017 13.847) 14.172 4.862 ( 1.462 6.477 4.403) 7.967 5.050 ( 5.764 -2.001 16.348) 17.450 5.177 ( 2.324 1.937 5.542) 6.314 5.227 ( -2.091 -0.711 0.258) 2.224 5.426 ( 2.781 3.279 -4.544) 6.256 5.636 ( -0.137 -4.593 -6.657) 8.089 5.672 ( -0.338 -1.371 -4.522) 4.738 6.077 ( -5.097 1.059 8.785) 10.212 6.436 ( -3.618 -0.150 -5.290) 6.410 6.549 ( -4.330 -0.756 7.723) 8.886 6.700 ( -3.602 -0.504 3.422) 4.994 7.137 ( -0.388 -0.094 0.734) 0.836 7.161 ( -0.017 -1.395 -0.642) 1.536 7.262 ( 0.518 -0.486 -1.238) 1.427 7.289 ( 0.232 -1.150 -1.699) 2.064 7.612 ( 3.141 4.196 1.662) 5.499 7.781 ( 3.392 -2.079 0.547) 4.016 8.078 ( 4.511 1.289 -19.740) 20.290 8.126 ( 4.227 -0.780 -14.061) 14.703 9.021 ( -1.397 -0.095 4.011) 4.248 9.135 ( 0.115 0.049 1.034) 1.042 9.182 ( -1.144 0.792 -4.896) 5.090 9.292 ( -1.828 -0.824 -11.273) 11.450 11.055 ( -1.337 0.064 8.691) 8.793 11.185 ( -1.436 -2.198 3.626) 4.477 11.236 ( -0.718 0.195 -1.465) 1.643 11.305 ( -1.186 0.992 -2.043) 2.562 12.366 ( -1.764 -0.016 0.956) 2.007 12.443 ( -2.130 3.307 -2.493) 4.657 12.556 ( -1.203 -2.919 1.916) 3.693 12.608 ( -3.317 -1.024 -0.803) 3.563 15.472 ( -0.886 1.555 6.792) 7.023 15.589 ( -2.502 -2.764 11.313) 11.911 15.711 ( -2.727 3.285 -4.632) 6.299 15.994 ( -0.691 -1.557 -7.269) 7.466 16.243 ( 3.573 0.038 8.674) 9.381 16.324 ( 2.663 2.956 2.935) 4.944 16.460 ( 1.581 -2.315 -0.445) 2.839 16.504 ( 4.105 -0.309 -2.969) 5.075 17.589 ( -8.007 1.240 17.775) 19.534 18.163 ( -5.789 -0.232 -11.177) 12.590 18.325 ( -3.428 -2.310 4.189) 5.885 18.483 ( -6.465 0.703 -3.388) 7.333 19.209 ( 2.222 -0.012 3.161) 3.863 19.315 ( 1.626 -0.125 5.967) 6.186 19.364 ( 0.961 0.169 -4.961) 5.056 19.547 ( 1.678 -0.058 -5.442) 5.695 21.425 ( -0.363 0.308 5.488) 5.509 21.452 ( 0.307 -0.313 4.372) 4.394 21.654 ( -0.064 -0.352 -4.620) 4.634 21.724 ( -1.170 -0.939 -7.502) 7.650 22.168 ( -0.780 1.457 5.990) 6.214 22.485 ( 0.898 0.697 -5.661) 5.774 22.519 ( -1.016 -0.532 -3.045) 3.253 22.631 ( 1.271 -0.013 -5.360) 5.509 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.33 0.25 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -2.237 -7.390 4.386) 8.880 1.546 ( -5.954 7.635 -3.461) 10.282 1.650 ( -9.363 -5.095 2.663) 10.987 1.976 ( -11.674 -9.922 -14.272) 20.939 2.099 ( 8.002 2.148 -0.637) 8.309 2.261 ( 8.732 1.358 -5.489) 10.403 2.575 ( -4.896 -4.793 -0.513) 6.871 2.618 ( 0.399 -3.027 1.095) 3.243 3.091 ( 4.168 0.794 1.679) 4.563 3.458 ( -0.394 0.682 -6.099) 6.149 3.521 ( -5.616 -1.494 1.854) 6.100 3.628 ( 0.571 -2.055 2.285) 3.126 3.714 ( -0.348 5.375 4.884) 7.271 3.885 ( -0.652 -0.642 4.880) 4.965 3.987 ( 0.588 7.027 -5.779) 9.117 4.149 ( 0.053 -0.961 -5.895) 5.973 4.650 ( 3.237 1.963 9.273) 10.016 4.902 ( 2.837 6.012 0.607) 6.675 5.104 ( -1.714 1.344 13.013) 13.194 5.182 ( 0.603 0.522 3.644) 3.730 5.231 ( -0.190 -0.857 10.708) 10.744 5.489 ( -5.205 -0.625 -2.614) 5.858 5.510 ( -1.147 0.906 -2.660) 3.035 5.682 ( 0.964 -4.126 -8.952) 9.904 6.077 ( 3.834 -0.017 10.215) 10.911 6.412 ( 0.850 -0.423 -4.618) 4.715 6.439 ( -6.278 -0.393 8.470) 10.550 6.619 ( -4.387 -0.948 2.356) 5.069 7.120 ( -0.785 0.194 0.909) 1.216 7.149 ( -1.101 -0.369 -0.130) 1.169 7.276 ( 0.701 -0.088 -2.082) 2.199 7.294 ( 0.151 -0.615 -2.982) 3.049 7.671 ( 2.933 2.520 2.863) 4.811 7.820 ( 0.176 -1.754 2.627) 3.164 8.167 ( 4.118 0.867 -18.983) 19.444 8.207 ( 3.542 -0.575 -13.893) 14.349 9.019 ( 1.184 -0.224 2.395) 2.681 9.129 ( -0.728 -0.319 0.229) 0.827 9.171 ( -0.094 0.623 -4.977) 5.016 9.246 ( -2.526 -0.462 -11.453) 11.737 11.037 ( -0.325 -0.176 9.379) 9.386 11.138 ( -2.955 -0.979 5.679) 6.476 11.236 ( 0.532 0.484 -1.532) 1.692 11.283 ( -1.001 -0.117 -1.373) 1.703 12.343 ( -0.295 0.257 1.347) 1.403 12.415 ( -0.541 1.781 -1.758) 2.560 12.509 ( -3.643 -0.697 1.294) 3.929 12.539 ( -3.215 -1.202 -0.573) 3.480 15.460 ( -0.235 1.119 6.528) 6.627 15.536 ( -2.614 -1.804 10.172) 10.656 15.681 ( 0.113 1.504 -4.490) 4.737 15.939 ( -4.824 -1.245 -8.984) 10.273 16.331 ( 4.923 -0.135 8.667) 9.969 16.384 ( 3.267 1.897 4.759) 6.077 16.460 ( 0.425 -1.550 3.776) 4.104 16.592 ( 1.543 0.788 -0.179) 1.742 17.537 ( 3.429 0.218 14.440) 14.843 18.071 ( -3.023 -0.244 -10.177) 10.619 18.216 ( -7.847 -1.891 2.663) 8.500 18.297 ( -10.772 1.369 -1.440) 10.954 19.259 ( 2.492 0.058 3.845) 4.582 19.336 ( 0.392 -0.132 6.136) 6.149 19.406 ( 3.055 0.060 -4.472) 5.416 19.561 ( -0.399 -0.024 -5.037) 5.052 21.448 ( 2.445 -0.071 1.374) 2.805 21.477 ( 2.102 -0.072 0.952) 2.309 21.627 ( -2.221 -0.913 -6.436) 6.869 21.679 ( -3.272 0.574 -8.724) 9.335 22.199 ( 3.467 0.310 7.569) 8.331 22.463 ( -3.116 -0.339 1.815) 3.622 22.524 ( 1.430 0.832 -7.669) 7.845 22.631 ( -1.092 -0.199 -5.596) 5.705 ======================= Grid point 193 (70/90) ======================= q-point: ( 0.44 0.25 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 7.153 -5.758 -1.497) 9.303 1.391 ( -11.429 -5.374 -1.123) 12.679 1.549 ( 3.065 4.325 -12.013) 13.131 1.713 ( -12.103 -1.121 -16.072) 20.150 2.281 ( 8.118 -5.959 2.208) 10.310 2.385 ( 0.172 -3.838 -1.456) 4.109 2.515 ( 1.575 -1.035 -4.396) 4.783 2.594 ( -3.258 0.663 -5.035) 6.034 3.198 ( 6.646 0.008 5.511) 8.634 3.346 ( -7.919 -1.254 6.453) 10.292 3.512 ( 2.439 -0.860 -7.092) 7.549 3.576 ( -3.668 -1.439 -3.632) 5.359 3.775 ( 4.107 3.777 6.221) 8.357 3.848 ( -3.007 2.225 6.126) 7.178 4.038 ( 3.977 5.469 -6.705) 9.523 4.116 ( -3.218 1.883 -6.589) 7.571 4.775 ( 9.104 1.355 7.126) 11.641 4.970 ( -6.285 2.753 6.395) 9.380 4.998 ( 3.007 3.008 1.476) 4.502 5.147 ( -7.536 -0.014 5.507) 9.333 5.237 ( 2.990 -0.370 8.226) 8.761 5.312 ( -5.346 -0.158 1.568) 5.573 5.610 ( 4.935 -1.009 -1.826) 5.358 5.678 ( -1.713 -2.341 -5.402) 6.132 6.181 ( 6.059 -0.248 9.965) 11.665 6.308 ( -6.604 -0.271 9.401) 11.492 6.456 ( 3.247 -0.879 -2.915) 4.451 6.532 ( -4.198 -1.116 -0.140) 4.346 7.114 ( 0.162 0.257 0.963) 1.010 7.126 ( -1.018 0.064 0.620) 1.193 7.287 ( 0.424 0.228 -3.086) 3.123 7.293 ( -0.195 -0.003 -3.388) 3.394 7.732 ( 3.140 0.599 3.861) 5.012 7.792 ( -2.610 -0.895 4.015) 4.872 8.233 ( 2.362 0.337 -17.463) 17.625 8.252 ( 0.677 -0.153 -15.278) 15.294 9.060 ( 2.533 -0.364 0.753) 2.668 9.105 ( -1.791 -0.491 0.110) 1.860 9.176 ( 0.682 0.420 -6.972) 7.018 9.201 ( -1.836 -0.023 -9.736) 9.908 11.045 ( 1.108 -0.210 9.237) 9.306 11.081 ( -2.476 -0.348 7.895) 8.281 11.250 ( 0.773 0.116 -1.566) 1.750 11.265 ( -0.783 -0.286 -1.434) 1.658 12.361 ( 2.044 0.742 1.755) 2.794 12.413 ( -1.565 0.270 0.916) 1.833 12.441 ( -0.758 0.547 -0.841) 1.258 12.478 ( -2.852 -0.977 -1.178) 3.237 15.464 ( 0.752 0.295 7.156) 7.201 15.491 ( -1.857 -0.738 8.573) 8.802 15.721 ( 3.851 0.242 -5.538) 6.750 15.824 ( -6.045 -0.579 -7.584) 9.716 16.421 ( 3.404 -0.454 7.099) 7.886 16.451 ( 1.833 0.085 6.568) 6.819 16.472 ( 2.213 0.512 5.932) 6.352 16.558 ( -4.046 0.829 5.124) 6.582 17.707 ( 12.396 -0.089 7.183) 14.327 17.982 ( -14.148 -0.465 2.940) 14.458 18.057 ( 1.603 -0.090 -7.098) 7.277 18.133 ( -5.835 0.260 -2.966) 6.550 19.303 ( 1.853 0.020 5.053) 5.382 19.331 ( -0.872 -0.075 5.867) 5.932 19.473 ( 3.428 0.017 -4.268) 5.474 19.533 ( -2.329 -0.001 -4.530) 5.093 21.509 ( 3.379 -0.499 -2.735) 4.376 21.531 ( 3.322 0.284 -2.980) 4.471 21.574 ( -3.013 -0.690 -5.401) 6.223 21.605 ( -3.901 0.457 -6.684) 7.752 22.286 ( 4.923 0.246 5.982) 7.752 22.383 ( -4.638 0.176 3.812) 6.006 22.558 ( 1.915 0.251 -6.707) 6.980 22.598 ( -2.011 -0.181 -5.982) 6.314 ======================= Grid point 198 (71/90) ======================= q-point: ( 0.00 -0.50 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 -2.308 18.973) 19.113 1.265 ( 0.000 2.308 18.973) 19.113 1.859 ( 0.000 -6.247 -4.103) 7.474 1.859 ( 0.000 6.247 -4.103) 7.474 2.312 ( 0.000 -3.319 5.696) 6.592 2.312 ( 0.000 3.319 5.696) 6.592 2.695 ( 0.000 -0.341 -15.215) 15.219 2.695 ( 0.000 0.341 -15.215) 15.219 3.210 ( 0.000 -1.441 12.506) 12.588 3.210 ( 0.000 1.441 12.506) 12.588 3.683 ( 0.000 -10.260 -2.836) 10.644 3.683 ( 0.000 10.260 -2.836) 10.644 3.903 ( 0.000 -2.499 2.667) 3.654 3.903 ( 0.000 2.499 2.667) 3.654 4.102 ( 0.000 -4.373 -0.667) 4.424 4.102 ( 0.000 4.373 -0.667) 4.424 4.693 ( 0.000 -5.859 24.192) 24.892 4.693 ( 0.000 5.859 24.192) 24.892 5.016 ( 0.000 -0.746 1.102) 1.331 5.016 ( 0.000 0.746 1.102) 1.331 5.454 ( 0.000 -4.642 -4.176) 6.244 5.454 ( 0.000 4.642 -4.176) 6.244 5.492 ( 0.000 -1.631 -3.922) 4.248 5.492 ( 0.000 1.631 -3.922) 4.248 6.458 ( 0.000 -6.190 5.684) 8.404 6.458 ( 0.000 6.190 5.684) 8.404 6.704 ( 0.000 -2.089 -2.594) 3.330 6.704 ( 0.000 2.089 -2.594) 3.330 7.096 ( 0.000 -2.901 0.957) 3.055 7.096 ( 0.000 2.901 0.957) 3.055 7.268 ( 0.000 -0.930 -1.474) 1.743 7.268 ( 0.000 0.930 -1.474) 1.743 7.617 ( 0.000 -4.494 0.168) 4.497 7.617 ( 0.000 4.494 0.168) 4.497 8.003 ( 0.000 -1.404 -16.937) 16.995 8.003 ( 0.000 1.404 -16.937) 16.995 9.106 ( 0.000 -0.007 3.127) 3.127 9.106 ( 0.000 0.007 3.127) 3.127 9.274 ( 0.000 -2.312 -7.716) 8.055 9.274 ( 0.000 2.312 -7.716) 8.055 11.137 ( 0.000 -2.719 5.611) 6.235 11.137 ( 0.000 2.719 5.611) 6.235 11.304 ( 0.000 -0.805 -3.476) 3.568 11.304 ( 0.000 0.805 -3.476) 3.568 12.472 ( 0.000 -3.974 2.940) 4.944 12.472 ( 0.000 3.974 2.940) 4.944 12.603 ( 0.000 -4.704 -3.856) 6.082 12.603 ( 0.000 4.704 -3.856) 6.082 15.561 ( 0.000 -4.327 10.669) 11.513 15.561 ( 0.000 4.327 10.669) 11.513 15.907 ( 0.000 -4.115 -4.851) 6.362 15.907 ( 0.000 4.115 -4.851) 6.362 16.222 ( 0.000 -1.079 5.457) 5.562 16.222 ( 0.000 1.079 5.457) 5.562 16.405 ( 0.000 -8.168 -4.205) 9.187 16.405 ( 0.000 8.168 -4.205) 9.187 18.136 ( 0.000 -8.891 8.014) 11.970 18.136 ( 0.000 8.891 8.014) 11.970 18.415 ( 0.000 -2.460 -7.602) 7.990 18.415 ( 0.000 2.460 -7.602) 7.990 19.221 ( 0.000 -0.464 4.872) 4.894 19.221 ( 0.000 0.464 4.872) 4.894 19.429 ( 0.000 -0.531 -5.466) 5.492 19.429 ( 0.000 0.531 -5.466) 5.492 21.496 ( 0.000 -0.681 6.974) 7.007 21.496 ( 0.000 0.681 6.974) 7.007 21.628 ( 0.000 -4.724 0.744) 4.782 21.628 ( 0.000 4.724 0.744) 4.782 22.428 ( 0.000 -5.723 -3.145) 6.530 22.428 ( 0.000 5.723 -3.145) 6.530 22.499 ( 0.000 -2.305 -6.141) 6.559 22.499 ( 0.000 2.305 -6.141) 6.559 ======================= Grid point 200 (72/90) ======================= q-point: ( 0.11 -0.50 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -3.044 0.000 21.332) 21.548 1.432 ( 9.456 0.000 13.909) 16.819 1.886 ( 1.368 0.000 -4.540) 4.742 1.901 ( 4.523 -0.000 -2.882) 5.363 2.085 ( -10.689 0.000 3.518) 11.253 2.484 ( -11.607 0.000 -17.495) 20.996 2.487 ( 5.727 -0.000 6.870) 8.944 2.799 ( -0.929 0.000 -10.123) 10.166 3.009 ( -5.830 0.000 10.510) 12.019 3.405 ( 8.445 0.000 10.036) 13.116 3.596 ( -4.827 -0.000 -10.403) 11.469 3.699 ( -1.844 0.000 4.227) 4.612 3.833 ( -2.526 -0.000 9.657) 9.982 3.980 ( 3.764 0.000 -5.950) 7.041 4.026 ( -5.759 -0.000 -0.384) 5.772 4.106 ( -0.701 0.000 -0.877) 1.123 4.671 ( -0.168 0.000 20.041) 20.042 4.813 ( 8.736 0.000 24.765) 26.261 4.964 ( -1.154 0.000 2.396) 2.660 5.112 ( 5.123 0.000 2.861) 5.868 5.330 ( -6.814 0.000 -3.432) 7.629 5.478 ( 1.782 -0.000 -9.349) 9.517 5.490 ( 1.130 0.000 -2.921) 3.132 5.613 ( 5.548 0.000 -1.446) 5.734 6.272 ( -10.376 0.000 4.882) 11.467 6.555 ( -7.813 0.000 -5.445) 9.523 6.562 ( 2.151 -0.000 7.211) 7.525 6.749 ( -1.150 0.000 1.914) 2.233 7.107 ( 2.043 -0.000 -1.079) 2.311 7.128 ( 1.334 0.000 1.442) 1.964 7.260 ( -0.579 0.000 -1.589) 1.691 7.268 ( 0.068 -0.000 -1.433) 1.435 7.638 ( 1.789 0.000 0.284) 1.812 7.656 ( 3.715 -0.000 0.410) 3.738 8.027 ( 2.760 -0.000 -16.172) 16.406 8.036 ( 2.807 0.000 -17.518) 17.742 9.063 ( -2.462 0.000 4.083) 4.768 9.129 ( 0.695 0.000 2.030) 2.146 9.231 ( -2.263 -0.000 -6.036) 6.447 9.295 ( 0.206 0.000 -9.590) 9.592 11.097 ( -2.215 0.000 6.581) 6.944 11.162 ( 0.642 -0.000 5.298) 5.337 11.259 ( -1.851 0.000 -2.431) 3.056 11.332 ( 0.300 0.000 -3.928) 3.939 12.421 ( -2.724 0.000 2.565) 3.742 12.507 ( 1.201 -0.000 3.029) 3.259 12.553 ( -3.077 0.000 -4.020) 5.063 12.618 ( -0.404 -0.000 -2.835) 2.864 15.538 ( -1.542 -0.000 9.130) 9.259 15.563 ( -0.551 0.000 11.584) 11.597 15.836 ( -4.116 0.000 -4.603) 6.175 15.956 ( 1.904 0.000 -6.134) 6.423 16.199 ( 0.749 0.000 8.207) 8.241 16.320 ( 5.545 0.000 1.988) 5.891 16.388 ( 1.138 0.000 -2.402) 2.658 16.422 ( 0.025 -0.000 -4.075) 4.075 17.853 ( -14.717 -0.000 13.694) 20.103 18.288 ( -6.565 -0.000 -9.303) 11.386 18.294 ( 3.587 0.000 5.556) 6.613 18.519 ( 3.022 0.000 -6.660) 7.314 19.188 ( -0.449 0.000 4.050) 4.075 19.272 ( 2.472 0.000 5.545) 6.071 19.376 ( -1.806 0.000 -5.325) 5.623 19.497 ( 3.170 0.000 -5.554) 6.395 21.458 ( -1.597 0.000 6.026) 6.234 21.470 ( -2.810 -0.000 7.849) 8.336 21.652 ( 0.763 -0.000 -2.511) 2.624 21.664 ( 3.377 0.000 -0.558) 3.423 22.280 ( -6.884 -0.000 -0.075) 6.885 22.496 ( 0.666 -0.000 -2.202) 2.300 22.497 ( 0.409 0.000 -8.676) 8.686 22.570 ( 4.739 0.000 -4.926) 6.835 ======================= Grid point 202 (73/90) ======================= q-point: ( 0.22 -0.50 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -3.656 0.000 16.423) 16.825 1.600 ( 6.188 0.000 8.798) 10.756 1.859 ( -5.336 -0.000 -3.492) 6.377 1.898 ( -6.794 0.000 5.238) 8.578 2.045 ( 7.244 0.000 -10.406) 12.679 2.278 ( -6.896 0.000 -14.764) 16.295 2.521 ( -1.869 -0.000 10.906) 11.065 2.676 ( -6.449 0.000 -4.853) 8.071 3.022 ( 3.565 0.000 -0.340) 3.581 3.513 ( -3.145 -0.000 -12.957) 13.333 3.547 ( 5.659 0.000 7.130) 9.103 3.621 ( -5.573 0.000 6.503) 8.564 3.821 ( 1.293 0.000 10.041) 10.124 3.893 ( -6.840 -0.000 0.400) 6.851 4.048 ( 2.815 -0.000 -8.628) 9.076 4.094 ( -0.131 0.000 -1.978) 1.983 4.666 ( -0.327 0.000 15.469) 15.472 4.962 ( 0.705 0.000 3.633) 3.701 5.002 ( 8.960 0.000 21.004) 22.835 5.201 ( 3.352 0.000 7.033) 7.791 5.215 ( -4.220 -0.000 -2.685) 5.002 5.497 ( -0.253 -0.000 -2.594) 2.607 5.543 ( 4.241 0.000 -10.132) 10.984 5.665 ( -2.235 -0.000 -3.551) 4.195 6.087 ( -6.080 0.000 7.758) 9.857 6.434 ( -3.772 0.000 -6.194) 7.252 6.540 ( -3.888 0.000 7.675) 8.604 6.693 ( -3.877 0.000 3.526) 5.241 7.136 ( -0.415 -0.000 1.069) 1.147 7.145 ( 1.041 0.000 -1.320) 1.681 7.256 ( 0.476 0.000 -0.935) 1.049 7.276 ( 0.611 -0.000 -2.376) 2.454 7.675 ( 1.778 0.000 1.060) 2.070 7.742 ( 4.076 -0.000 1.313) 4.282 8.105 ( 3.846 -0.000 -17.995) 18.402 8.105 ( 4.727 0.000 -15.155) 15.875 9.020 ( -1.490 0.000 3.974) 4.244 9.136 ( -0.041 0.000 1.112) 1.113 9.193 ( -1.422 -0.000 -5.025) 5.222 9.281 ( -1.558 0.000 -11.074) 11.183 11.056 ( -1.684 0.000 8.123) 8.296 11.160 ( -0.894 -0.000 5.336) 5.410 11.238 ( -0.300 0.000 -1.942) 1.965 11.315 ( -1.673 0.000 -2.890) 3.339 12.371 ( -2.093 0.000 2.244) 3.069 12.490 ( -2.963 0.000 -3.575) 4.643 12.516 ( -0.364 -0.000 2.550) 2.576 12.588 ( -2.476 0.000 -1.428) 2.858 15.506 ( -1.553 -0.000 7.441) 7.602 15.541 ( -1.531 0.000 11.546) 11.647 15.751 ( -3.926 0.000 -4.510) 5.979 15.973 ( -0.556 0.000 -8.459) 8.477 16.244 ( 3.545 0.000 9.045) 9.715 16.380 ( 2.189 0.000 3.058) 3.761 16.412 ( -0.577 -0.000 -0.578) 0.816 16.500 ( 7.411 0.000 -3.259) 8.096 17.605 ( -8.993 0.000 17.717) 19.869 18.160 ( -5.923 -0.000 -10.506) 12.061 18.297 ( -2.737 0.000 4.977) 5.680 18.491 ( -6.026 0.000 -4.667) 7.622 19.209 ( 2.263 0.000 3.201) 3.920 19.314 ( 1.618 0.000 6.078) 6.290 19.366 ( 0.877 0.000 -4.970) 5.047 19.547 ( 1.701 0.000 -5.434) 5.694 21.430 ( -0.687 0.000 6.147) 6.185 21.447 ( 0.500 -0.000 3.899) 3.931 21.649 ( -0.977 0.000 -5.384) 5.472 21.713 ( 0.745 0.000 -6.184) 6.229 22.185 ( -2.051 0.000 5.114) 5.510 22.495 ( -0.855 -0.000 0.450) 0.966 22.511 ( 0.969 0.000 -9.284) 9.334 22.631 ( 1.289 0.000 -5.165) 5.323 ======================= Grid point 204 (74/90) ======================= q-point: ( 0.33 -0.50 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.708 0.000 5.910) 5.952 1.586 ( -10.370 0.000 3.772) 11.035 1.730 ( -3.703 -0.000 -3.913) 5.387 1.751 ( -7.821 0.000 -11.183) 13.647 2.135 ( 3.114 0.000 -4.439) 5.423 2.322 ( 9.067 0.000 -6.494) 11.153 2.448 ( -5.380 -0.000 4.076) 6.750 2.608 ( -0.529 0.000 -4.927) 4.956 3.100 ( 4.264 0.000 1.375) 4.480 3.479 ( -0.244 -0.000 -10.620) 10.623 3.487 ( -7.496 0.000 6.550) 9.954 3.614 ( -0.040 0.000 1.556) 1.557 3.796 ( -1.467 0.000 3.865) 4.135 3.861 ( 1.785 -0.000 7.479) 7.689 4.091 ( 1.541 -0.000 -8.597) 8.733 4.108 ( 1.285 0.000 -3.366) 3.603 4.676 ( 2.299 0.000 11.157) 11.391 4.983 ( 1.390 0.000 0.645) 1.533 5.114 ( 0.889 0.000 14.051) 14.079 5.182 ( 0.967 0.000 3.024) 3.175 5.224 ( -1.402 0.000 11.226) 11.314 5.481 ( -7.717 -0.000 -3.410) 8.436 5.532 ( -1.414 -0.000 -3.447) 3.726 5.622 ( 3.050 0.000 -7.918) 8.485 6.076 ( 3.630 0.000 9.739) 10.393 6.406 ( 0.623 0.000 -5.400) 5.436 6.435 ( -6.216 0.000 7.732) 9.921 6.607 ( -4.591 0.000 2.584) 5.269 7.123 ( -0.655 0.000 1.058) 1.245 7.144 ( -0.749 -0.000 -0.087) 0.754 7.275 ( 1.056 0.000 -1.532) 1.861 7.287 ( 0.465 -0.000 -3.372) 3.404 7.707 ( 1.543 0.000 2.335) 2.799 7.793 ( 0.774 -0.000 3.121) 3.216 8.180 ( 3.568 0.000 -18.113) 18.461 8.197 ( 4.003 0.000 -14.686) 15.222 9.016 ( 1.109 0.000 2.424) 2.666 9.126 ( -0.937 0.000 0.288) 0.981 9.178 ( -0.169 -0.000 -5.132) 5.135 9.240 ( -2.274 0.000 -11.325) 11.551 11.035 ( -0.376 0.000 9.276) 9.283 11.126 ( -2.355 0.000 6.206) 6.638 11.241 ( 0.495 -0.000 -1.851) 1.916 11.281 ( -1.447 0.000 -1.616) 2.170 12.347 ( -0.147 0.000 2.000) 2.006 12.444 ( -1.500 0.000 -2.782) 3.161 12.490 ( -2.255 -0.000 1.818) 2.896 12.527 ( -3.396 -0.000 -0.578) 3.445 15.480 ( -0.949 -0.000 6.526) 6.594 15.508 ( -1.685 0.000 10.400) 10.536 15.700 ( -0.864 -0.000 -4.495) 4.577 15.923 ( -4.430 0.000 -9.616) 10.587 16.330 ( 4.763 0.000 8.951) 10.140 16.421 ( 1.718 -0.000 3.592) 3.982 16.427 ( 2.180 0.000 5.506) 5.922 16.600 ( 1.609 0.000 -0.727) 1.766 17.540 ( 3.080 0.000 14.530) 14.853 18.068 ( -2.946 -0.000 -9.907) 10.336 18.196 ( -7.572 0.000 3.297) 8.258 18.310 ( -10.695 0.000 -2.462) 10.975 19.260 ( 2.507 0.000 3.775) 4.531 19.334 ( 0.401 0.000 6.261) 6.273 19.407 ( 3.013 0.000 -4.467) 5.388 19.560 ( -0.381 0.000 -5.022) 5.037 21.447 ( 2.190 0.000 1.819) 2.846 21.476 ( 2.302 0.000 0.605) 2.380 21.617 ( -2.128 0.000 -6.233) 6.586 21.685 ( -3.176 0.000 -8.843) 9.396 22.202 ( 3.259 0.000 7.429) 8.112 22.459 ( -2.794 0.000 2.111) 3.502 22.533 ( 1.234 0.000 -8.429) 8.518 22.628 ( -1.221 0.000 -5.136) 5.279 ======================= Grid point 206 (75/90) ======================= q-point: ( 0.44 -0.50 0.40) 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 7.410 0.000 -0.407) 7.421 1.328 ( -12.824 0.000 0.474) 12.833 1.637 ( -2.463 -0.000 -18.885) 19.045 1.659 ( -3.617 0.000 -13.557) 14.031 2.223 ( 5.236 0.000 3.597) 6.352 2.332 ( -5.722 0.000 3.211) 6.561 2.502 ( 7.633 0.000 -7.697) 10.840 2.598 ( -1.979 -0.000 -6.615) 6.904 3.199 ( 5.845 0.000 4.925) 7.643 3.334 ( -7.552 0.000 6.623) 10.044 3.500 ( 2.218 0.000 -7.212) 7.546 3.561 ( -3.663 0.000 -4.014) 5.434 3.825 ( 2.787 0.000 6.146) 6.749 3.869 ( -1.088 -0.000 6.240) 6.334 4.114 ( 0.902 -0.000 -7.295) 7.350 4.124 ( 0.067 0.000 -5.367) 5.367 4.791 ( 9.341 0.000 8.380) 12.549 5.008 ( -10.434 0.000 7.666) 12.948 5.034 ( 4.153 0.000 -0.199) 4.157 5.144 ( -6.167 0.000 7.366) 9.606 5.232 ( 3.404 0.000 6.455) 7.298 5.310 ( -5.227 0.000 1.207) 5.364 5.598 ( 3.967 -0.000 -1.341) 4.187 5.648 ( -0.650 0.000 -4.207) 4.257 6.179 ( 6.046 0.000 9.137) 10.956 6.306 ( -6.574 0.000 8.261) 10.558 6.445 ( 3.012 0.000 -3.143) 4.353 6.518 ( -4.189 0.000 -0.039) 4.189 7.117 ( 0.106 0.000 1.183) 1.188 7.127 ( -0.822 -0.000 0.903) 1.221 7.290 ( 0.442 0.000 -2.725) 2.761 7.293 ( 0.102 -0.000 -3.497) 3.498 7.741 ( 1.882 0.000 3.670) 4.125 7.779 ( -1.717 -0.000 4.190) 4.529 8.238 ( 1.971 0.000 -17.304) 17.416 8.249 ( 1.034 -0.000 -15.680) 15.714 9.055 ( 2.441 0.000 0.849) 2.585 9.099 ( -1.792 0.000 0.194) 1.803 9.181 ( 0.475 -0.000 -7.100) 7.116 9.200 ( -1.545 0.000 -9.759) 9.880 11.042 ( 1.080 0.000 9.275) 9.337 11.077 ( -2.312 0.000 7.975) 8.303 11.252 ( 0.478 -0.000 -1.698) 1.765 11.261 ( -0.609 0.000 -1.419) 1.545 12.368 ( 2.273 0.000 1.732) 2.857 12.429 ( -3.525 0.000 1.536) 3.845 12.435 ( 0.656 -0.000 -1.768) 1.885 12.467 ( -2.398 -0.000 -0.818) 2.534 15.470 ( -0.050 -0.000 7.026) 7.026 15.480 ( -1.015 0.000 8.610) 8.670 15.724 ( 3.247 -0.000 -5.584) 6.459 15.817 ( -5.576 0.000 -7.836) 9.618 16.416 ( 3.338 0.000 7.777) 8.463 16.450 ( -0.132 -0.000 6.754) 6.755 16.479 ( 4.121 0.000 5.900) 7.196 16.568 ( -3.975 0.000 4.722) 6.172 17.706 ( 12.283 0.000 7.182) 14.228 17.977 ( -13.723 0.000 3.075) 14.064 18.055 ( 1.790 0.000 -7.092) 7.314 18.137 ( -6.259 0.000 -3.299) 7.075 19.303 ( 1.800 0.000 5.025) 5.338 19.330 ( -0.817 0.000 5.931) 5.987 19.474 ( 3.414 0.000 -4.264) 5.462 19.533 ( -2.318 0.000 -4.521) 5.081 21.504 ( 3.223 0.000 -2.440) 4.042 21.534 ( 3.435 0.000 -3.136) 4.651 21.567 ( -2.892 0.000 -5.257) 6.000 21.609 ( -3.999 0.000 -6.757) 7.852 22.289 ( 4.952 0.000 5.850) 7.664 22.385 ( -4.478 0.000 3.747) 5.839 22.561 ( 1.556 0.000 -6.972) 7.144 22.595 ( -1.842 0.000 -5.681) 5.972 ======================= Grid point 225 (76/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 0.000 -8.168) 8.168 1.604 ( 0.000 0.000 8.168) 8.168 1.931 ( 0.000 0.000 -11.198) 11.198 1.931 ( 0.000 0.000 11.198) 11.198 2.348 ( 0.000 0.000 -17.336) 17.336 2.348 ( 0.000 0.000 17.336) 17.336 2.549 ( 0.000 0.000 -18.242) 18.242 2.549 ( 0.000 0.000 18.242) 18.242 3.243 ( 0.000 0.000 -7.346) 7.346 3.243 ( 0.000 0.000 7.346) 7.346 3.619 ( 0.000 0.000 -14.815) 14.815 3.619 ( 0.000 0.000 14.815) 14.815 3.914 ( 0.000 0.000 -3.721) 3.721 3.914 ( 0.000 0.000 3.721) 3.721 4.173 ( 0.000 0.000 -1.544) 1.544 4.173 ( 0.000 0.000 1.544) 1.544 4.928 ( 0.000 0.000 -2.625) 2.625 4.928 ( 0.000 0.000 2.625) 2.625 4.937 ( 0.000 0.000 -9.074) 9.074 4.937 ( 0.000 0.000 9.074) 9.074 5.313 ( 0.000 0.000 -5.271) 5.271 5.313 ( 0.000 0.000 5.271) 5.271 5.542 ( 0.000 0.000 -4.181) 4.181 5.542 ( 0.000 0.000 4.181) 4.181 6.496 ( 0.000 0.000 -10.291) 10.291 6.496 ( 0.000 0.000 10.291) 10.291 6.712 ( 0.000 0.000 -4.178) 4.178 6.712 ( 0.000 0.000 4.178) 4.178 7.233 ( 0.000 0.000 -1.624) 1.624 7.233 ( 0.000 0.000 1.624) 1.624 7.270 ( 0.000 0.000 -8.619) 8.619 7.270 ( 0.000 0.000 8.619) 8.619 7.537 ( 0.000 0.000 -11.495) 11.495 7.537 ( 0.000 0.000 11.495) 11.495 7.774 ( 0.000 0.000 -9.746) 9.746 7.774 ( 0.000 0.000 9.746) 9.746 9.139 ( 0.000 0.000 -2.182) 2.182 9.139 ( 0.000 0.000 2.182) 2.182 9.195 ( 0.000 0.000 -5.288) 5.288 9.195 ( 0.000 0.000 5.288) 5.288 11.211 ( 0.000 0.000 -4.177) 4.177 11.211 ( 0.000 0.000 4.177) 4.177 11.264 ( 0.000 0.000 -1.931) 1.931 11.264 ( 0.000 0.000 1.931) 1.931 12.417 ( 0.000 0.000 -0.481) 0.481 12.417 ( 0.000 0.000 0.481) 0.481 12.669 ( 0.000 0.000 -1.835) 1.835 12.669 ( 0.000 0.000 1.835) 1.835 15.610 ( 0.000 0.000 -6.256) 6.256 15.610 ( 0.000 0.000 6.256) 6.256 15.877 ( 0.000 0.000 -7.833) 7.833 15.877 ( 0.000 0.000 7.833) 7.833 16.227 ( 0.000 0.000 -0.707) 0.707 16.227 ( 0.000 0.000 0.707) 0.707 16.442 ( 0.000 0.000 -8.919) 8.919 16.442 ( 0.000 0.000 8.919) 8.919 18.115 ( 0.000 0.000 -10.857) 10.857 18.115 ( 0.000 0.000 10.857) 10.857 18.441 ( 0.000 0.000 -2.539) 2.539 18.441 ( 0.000 0.000 2.539) 2.539 19.296 ( 0.000 0.000 -5.089) 5.089 19.296 ( 0.000 0.000 5.089) 5.089 19.345 ( 0.000 0.000 -5.367) 5.367 19.345 ( 0.000 0.000 5.367) 5.367 21.547 ( 0.000 0.000 -1.395) 1.395 21.547 ( 0.000 0.000 1.395) 1.395 21.689 ( 0.000 0.000 -7.755) 7.755 21.689 ( 0.000 0.000 7.755) 7.755 22.292 ( 0.000 0.000 -6.538) 6.538 22.292 ( 0.000 0.000 6.538) 6.538 22.503 ( 0.000 0.000 -0.159) 0.159 22.503 ( 0.000 0.000 0.159) 0.159 ======================= Grid point 227 (77/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 6.897 0.000 -6.317) 9.353 1.678 ( 6.897 0.000 6.317) 9.353 1.857 ( -7.753 0.000 -6.567) 10.160 1.857 ( -7.753 0.000 6.567) 10.160 2.221 ( -8.177 0.000 -15.863) 17.846 2.221 ( -8.177 0.000 15.863) 17.846 2.660 ( 6.587 0.000 -14.597) 16.014 2.660 ( 6.587 0.000 14.597) 16.014 3.192 ( -3.900 0.000 -10.893) 11.571 3.192 ( -3.900 0.000 10.894) 11.571 3.625 ( 0.785 0.000 -9.851) 9.883 3.625 ( 0.785 0.000 9.851) 9.883 3.931 ( 0.101 0.000 -1.547) 1.550 3.931 ( 0.101 0.000 1.547) 1.550 4.101 ( -5.570 0.000 -3.930) 6.817 4.101 ( -5.570 0.000 3.930) 6.817 4.824 ( -4.013 0.000 -3.422) 5.274 4.824 ( -4.013 0.000 3.422) 5.274 5.103 ( 9.312 0.000 -1.930) 9.510 5.103 ( 9.312 0.000 1.930) 9.510 5.276 ( -2.099 0.000 -0.218) 2.111 5.276 ( -2.099 0.000 0.218) 2.111 5.592 ( 3.195 0.000 -0.430) 3.224 5.592 ( 3.195 0.000 0.430) 3.224 6.400 ( -7.333 0.000 -9.974) 12.380 6.400 ( -7.333 0.000 9.974) 12.380 6.731 ( 0.281 0.000 -4.659) 4.668 6.731 ( 0.281 0.000 4.659) 4.668 7.224 ( -0.803 0.000 -2.453) 2.581 7.224 ( -0.803 0.000 2.453) 2.581 7.260 ( -0.921 0.000 -7.088) 7.148 7.260 ( -0.921 0.000 7.088) 7.148 7.584 ( 4.454 0.000 -12.116) 12.909 7.584 ( 4.454 0.000 12.116) 12.909 7.811 ( 3.389 0.000 -9.474) 10.062 7.811 ( 3.389 0.000 9.474) 10.062 9.134 ( -0.507 0.000 -2.410) 2.463 9.134 ( -0.507 0.000 2.410) 2.463 9.181 ( -1.359 0.000 -4.952) 5.136 9.181 ( -1.359 0.000 4.952) 5.136 11.197 ( -1.060 0.000 -3.551) 3.706 11.197 ( -1.060 0.000 3.551) 3.706 11.268 ( 0.092 0.000 -0.356) 0.368 11.268 ( 0.092 0.000 0.356) 0.368 12.404 ( -1.255 0.000 -0.150) 1.264 12.404 ( -1.255 0.000 0.150) 1.264 12.655 ( -1.439 0.000 -1.440) 2.035 12.655 ( -1.439 0.000 1.440) 2.035 15.595 ( -1.292 0.000 -5.950) 6.089 15.595 ( -1.292 0.000 5.950) 6.089 15.875 ( -0.529 0.000 -8.693) 8.709 15.875 ( -0.529 0.000 8.693) 8.709 16.258 ( 2.923 0.000 -0.403) 2.950 16.258 ( 2.923 0.000 0.403) 2.950 16.441 ( 0.289 0.000 -6.729) 6.735 16.441 ( 0.289 0.000 6.729) 6.735 18.036 ( -6.617 0.000 -12.690) 14.312 18.036 ( -6.617 0.000 12.690) 14.312 18.461 ( 0.636 0.000 -3.516) 3.573 18.461 ( 0.636 0.000 3.516) 3.573 19.269 ( -1.105 0.000 -4.598) 4.728 19.269 ( -1.105 0.000 4.598) 4.728 19.388 ( 2.775 0.000 -5.709) 6.348 19.388 ( 2.775 0.000 5.709) 6.348 21.540 ( -0.666 0.000 -1.532) 1.670 21.540 ( -0.666 0.000 1.532) 1.670 21.659 ( -2.781 0.000 -5.549) 6.207 21.659 ( -2.781 0.000 5.549) 6.207 22.290 ( 0.185 0.000 -7.564) 7.566 22.290 ( 0.185 0.000 7.564) 7.566 22.526 ( 1.677 0.000 -1.118) 2.015 22.526 ( 1.677 0.000 1.118) 2.015 ======================= Grid point 229 (78/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -13.545 0.000 -5.384) 14.576 1.614 ( -13.545 0.000 5.384) 14.576 1.880 ( 10.879 0.000 -4.893) 11.928 1.880 ( 10.879 0.000 4.893) 11.928 2.055 ( -9.437 0.000 -8.445) 12.663 2.055 ( -9.437 0.000 8.445) 12.663 2.733 ( 0.049 0.000 -9.294) 9.294 2.733 ( 0.049 0.000 9.294) 9.294 3.151 ( 0.939 0.000 -13.531) 13.564 3.151 ( 0.939 0.000 13.531) 13.564 3.659 ( 2.778 0.000 -4.661) 5.426 3.659 ( 2.778 0.000 4.661) 5.426 3.838 ( -8.473 0.000 -2.537) 8.845 3.838 ( -8.473 0.000 2.537) 8.845 4.045 ( -0.611 0.000 -5.750) 5.782 4.045 ( -0.611 0.000 5.750) 5.782 4.762 ( -2.072 0.000 -5.016) 5.427 4.762 ( -2.072 0.000 5.016) 5.427 5.261 ( 1.736 0.000 -0.379) 1.776 5.261 ( 1.736 0.000 0.379) 1.776 5.284 ( 7.178 0.000 -5.310) 8.929 5.284 ( 7.178 0.000 5.310) 8.929 5.608 ( -2.440 0.000 -1.202) 2.720 5.608 ( -2.440 0.000 1.202) 2.720 6.280 ( -3.298 0.000 -10.645) 11.144 6.280 ( -3.298 0.000 10.645) 11.144 6.699 ( -3.387 0.000 -4.925) 5.977 6.699 ( -3.387 0.000 4.925) 5.977 7.204 ( -1.134 0.000 -4.233) 4.382 7.204 ( -1.134 0.000 4.233) 4.382 7.237 ( -1.280 0.000 -5.670) 5.813 7.238 ( -1.280 0.000 5.670) 5.813 7.692 ( 5.832 0.000 -12.803) 14.069 7.692 ( 5.832 0.000 12.803) 14.069 7.893 ( 4.428 0.000 -9.215) 10.224 7.893 ( 4.428 0.000 9.215) 10.224 9.117 ( -1.256 0.000 -4.570) 4.740 9.117 ( -1.256 0.000 4.570) 4.740 9.150 ( -1.315 0.000 -2.135) 2.508 9.150 ( -1.315 0.000 2.135) 2.508 11.180 ( -0.603 0.000 -3.762) 3.810 11.180 ( -0.603 0.000 3.762) 3.810 11.260 ( -0.839 0.000 -1.750) 1.941 11.260 ( -0.839 0.000 1.750) 1.941 12.376 ( -1.252 0.000 -0.663) 1.416 12.376 ( -1.252 0.000 0.663) 1.416 12.611 ( -3.010 0.000 -0.369) 3.033 12.611 ( -3.010 0.000 0.369) 3.033 15.569 ( -1.023 0.000 -5.409) 5.505 15.569 ( -1.023 0.000 5.409) 5.505 15.843 ( -2.897 0.000 -10.279) 10.680 15.843 ( -2.897 0.000 10.279) 10.680 16.330 ( 4.078 0.000 -0.434) 4.101 16.330 ( 4.078 0.000 0.434) 4.101 16.472 ( 2.957 0.000 -0.935) 3.101 16.472 ( 2.957 0.000 0.935) 3.101 17.901 ( -5.939 0.000 -14.871) 16.013 17.901 ( -5.939 0.000 14.871) 16.013 18.422 ( -4.999 0.000 -3.260) 5.968 18.422 ( -4.999 0.000 3.260) 5.968 19.275 ( 1.722 0.000 -3.734) 4.112 19.275 ( 1.722 0.000 3.734) 4.112 19.435 ( 1.784 0.000 -5.917) 6.180 19.435 ( 1.784 0.000 5.917) 6.180 21.524 ( -0.828 0.000 -2.382) 2.522 21.524 ( -0.828 0.000 2.382) 2.522 21.595 ( -3.239 0.000 -3.010) 4.422 21.595 ( -3.239 0.000 3.010) 4.422 22.310 ( 1.799 0.000 -8.693) 8.877 22.310 ( 1.799 0.000 8.693) 8.877 22.547 ( 0.163 0.000 -2.837) 2.842 22.547 ( 0.163 0.000 2.837) 2.842 ======================= Grid point 231 (79/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -9.086 0.000 -8.108) 12.178 1.369 ( -9.086 0.000 8.108) 12.178 1.802 ( -14.650 0.000 -7.726) 16.562 1.802 ( -14.650 0.000 7.726) 16.562 2.125 ( 12.161 0.000 -4.434) 12.944 2.125 ( 12.160 0.000 4.434) 12.944 2.676 ( -5.060 0.000 -4.620) 6.852 2.676 ( -5.060 0.000 4.620) 6.852 3.224 ( 5.575 0.000 -11.557) 12.831 3.224 ( 5.575 0.000 11.557) 12.831 3.661 ( -8.583 0.000 -4.126) 9.523 3.661 ( -8.583 0.000 4.126) 9.523 3.737 ( 4.872 0.000 -4.603) 6.702 3.737 ( 4.872 0.000 4.603) 6.702 4.019 ( -2.470 0.000 -6.821) 7.254 4.019 ( -2.470 0.000 6.821) 7.254 4.763 ( 2.706 0.000 -5.781) 6.383 4.763 ( 2.706 0.000 5.781) 6.383 5.257 ( -3.646 0.000 -2.097) 4.206 5.257 ( -3.646 0.000 2.097) 4.206 5.416 ( 5.194 0.000 -6.659) 8.445 5.416 ( 5.194 0.000 6.659) 8.445 5.519 ( -4.118 0.000 -7.596) 8.640 5.519 ( -4.118 0.000 7.596) 8.640 6.284 ( 3.140 0.000 -9.256) 9.774 6.284 ( 3.140 0.000 9.256) 9.774 6.608 ( -5.407 0.000 -5.645) 7.816 6.608 ( -5.407 0.000 5.645) 7.816 7.185 ( -0.701 0.000 -5.558) 5.602 7.185 ( -0.701 0.000 5.558) 5.602 7.212 ( -1.267 0.000 -5.557) 5.700 7.212 ( -1.267 0.000 5.557) 5.700 7.803 ( 5.229 0.000 -13.497) 14.474 7.803 ( 5.229 0.000 13.497) 14.474 7.963 ( 2.035 0.000 -10.231) 10.431 7.963 ( 2.035 0.000 10.231) 10.431 9.092 ( -0.874 0.000 -5.014) 5.089 9.092 ( -0.874 0.000 5.014) 5.089 9.131 ( -0.835 0.000 -0.015) 0.835 9.131 ( -0.835 0.000 0.015) 0.835 11.175 ( 0.185 0.000 -4.488) 4.491 11.175 ( 0.185 0.000 4.488) 4.491 11.237 ( -1.374 0.000 -3.514) 3.773 11.237 ( -1.374 0.000 3.514) 3.773 12.364 ( 0.228 0.000 -1.544) 1.561 12.364 ( 0.228 0.000 1.544) 1.561 12.538 ( -4.121 0.000 -0.937) 4.226 12.538 ( -4.121 0.000 0.937) 4.226 15.564 ( 0.645 0.000 -5.434) 5.472 15.564 ( 0.645 0.000 5.434) 5.472 15.764 ( -4.669 0.000 -10.253) 11.266 15.764 ( -4.669 0.000 10.253) 11.266 16.416 ( 4.503 0.000 -0.072) 4.503 16.416 ( 4.503 0.000 0.072) 4.503 16.538 ( 2.793 0.000 -3.248) 4.284 16.538 ( 2.793 0.000 3.248) 4.284 17.830 ( -0.594 0.000 -14.063) 14.075 17.830 ( -0.594 0.000 14.063) 14.075 18.270 ( -9.677 0.000 -0.438) 9.687 18.270 ( -9.677 0.000 0.438) 9.687 19.328 ( 3.258 0.000 -3.439) 4.738 19.328 ( 3.258 0.000 3.439) 4.738 19.454 ( 0.116 0.000 -5.685) 5.686 19.454 ( 0.116 0.000 5.685) 5.686 21.510 ( -0.548 0.000 -3.315) 3.360 21.510 ( -0.548 0.000 3.315) 3.360 21.542 ( -1.971 0.000 -2.687) 3.332 21.542 ( -1.971 0.000 2.687) 3.332 22.357 ( 2.798 0.000 -8.330) 8.787 22.357 ( 2.798 0.000 8.330) 8.787 22.529 ( -1.868 0.000 -4.373) 4.756 22.529 ( -1.868 0.000 4.373) 4.756 ======================= Grid point 233 (80/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 3.860 0.000 -7.076) 8.060 1.311 ( 3.860 0.000 7.076) 8.060 1.502 ( -13.974 0.000 -5.997) 15.207 1.502 ( -13.974 0.000 5.997) 15.207 2.357 ( 10.731 0.000 -0.884) 10.768 2.357 ( 10.731 0.000 0.884) 10.768 2.544 ( -8.065 0.000 -1.990) 8.307 2.544 ( -8.065 0.000 1.990) 8.307 3.351 ( 6.985 0.000 -9.015) 11.404 3.351 ( 6.985 0.000 9.015) 11.404 3.499 ( -7.795 0.000 -6.545) 10.178 3.499 ( -7.795 0.000 6.545) 10.178 3.844 ( 5.538 0.000 -5.675) 7.930 3.844 ( 5.538 0.000 5.675) 7.930 3.947 ( -4.587 0.000 -6.933) 8.313 3.947 ( -4.587 0.000 6.933) 8.313 4.879 ( 8.827 0.000 -5.731) 10.525 4.879 ( 8.827 0.000 5.731) 10.525 5.089 ( -11.260 0.000 -6.135) 12.823 5.089 ( -11.260 0.000 6.135) 12.823 5.485 ( 1.795 0.000 -10.316) 10.471 5.485 ( 1.795 0.000 10.316) 10.471 5.495 ( 0.342 0.000 -13.143) 13.147 5.495 ( 0.342 0.000 13.143) 13.147 6.376 ( 5.568 0.000 -7.538) 9.372 6.376 ( 5.568 0.000 7.538) 9.372 6.493 ( -5.994 0.000 -6.501) 8.843 6.493 ( -5.994 0.000 6.501) 8.843 7.179 ( 0.135 0.000 -6.003) 6.004 7.179 ( 0.135 0.000 6.003) 6.004 7.189 ( -0.904 0.000 -5.864) 5.933 7.189 ( -0.904 0.000 5.864) 5.933 7.899 ( 4.278 0.000 -13.552) 14.211 7.899 ( 4.278 0.000 13.552) 14.211 7.964 ( -1.898 0.000 -12.291) 12.437 7.964 ( -1.898 0.000 12.291) 12.437 9.091 ( 0.718 0.000 -2.582) 2.680 9.091 ( 0.718 0.000 2.582) 2.680 9.112 ( -1.151 0.000 -0.558) 1.280 9.112 ( -1.151 0.000 0.558) 1.280 11.186 ( 0.902 0.000 -4.925) 5.007 11.186 ( 0.902 0.000 4.925) 5.007 11.209 ( -1.345 0.000 -4.618) 4.810 11.209 ( -1.345 0.000 4.618) 4.810 12.390 ( 2.395 0.000 -2.056) 3.156 12.390 ( 2.395 0.000 2.056) 3.156 12.455 ( -3.971 0.000 -1.867) 4.388 12.455 ( -3.971 0.000 1.867) 4.388 15.598 ( 2.785 0.000 -6.555) 7.122 15.598 ( 2.785 0.000 6.555) 7.123 15.671 ( -4.418 0.000 -8.521) 9.599 15.671 ( -4.418 0.000 8.521) 9.599 16.503 ( 3.944 0.000 -1.314) 4.157 16.503 ( 3.944 0.000 1.314) 4.157 16.557 ( -1.092 0.000 -3.110) 3.296 16.557 ( -1.092 0.000 3.110) 3.296 17.890 ( 6.418 0.000 -9.600) 11.547 17.890 ( 6.418 0.000 9.600) 11.547 18.064 ( -10.341 0.000 -4.041) 11.103 18.064 ( -10.341 0.000 4.041) 11.103 19.392 ( 2.960 0.000 -4.088) 5.047 19.392 ( 2.960 0.000 4.088) 5.047 19.439 ( -1.638 0.000 -5.009) 5.270 19.439 ( -1.638 0.000 5.009) 5.270 21.505 ( 0.121 0.000 -1.777) 1.781 21.505 ( 0.121 0.000 1.777) 1.781 21.515 ( -0.885 0.000 -1.174) 1.471 21.515 ( -0.885 0.000 1.174) 1.471 22.417 ( 3.171 0.000 -7.117) 7.791 22.417 ( 3.171 0.000 7.117) 7.791 22.479 ( -2.980 0.000 -5.741) 6.468 22.479 ( -2.980 0.000 5.741) 6.468 ======================= Grid point 243 (81/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.000 -0.387 -12.363) 12.369 1.587 ( 0.000 -0.387 12.363) 12.369 1.825 ( 0.000 -9.727 -15.073) 17.940 1.825 ( 0.000 -9.727 15.074) 17.940 2.387 ( 0.000 3.334 -14.090) 14.479 2.387 ( 0.000 3.334 14.090) 14.479 2.502 ( 0.000 -3.242 -12.334) 12.753 2.502 ( 0.000 -3.242 12.334) 12.753 3.338 ( 0.000 7.673 -10.341) 12.876 3.338 ( 0.000 7.673 10.341) 12.876 3.577 ( 0.000 -4.139 -14.713) 15.284 3.577 ( 0.000 -4.139 14.713) 15.284 3.949 ( 0.000 3.543 -5.245) 6.330 3.949 ( 0.000 3.543 5.245) 6.330 4.127 ( 0.000 -4.206 -4.115) 5.884 4.127 ( 0.000 -4.206 4.115) 5.884 4.964 ( 0.000 2.382 -8.388) 8.720 4.964 ( 0.000 2.382 8.388) 8.720 4.970 ( 0.000 3.088 -2.779) 4.154 4.970 ( 0.000 3.088 2.779) 4.154 5.344 ( 0.000 3.166 -4.787) 5.739 5.344 ( 0.000 3.166 4.787) 5.739 5.506 ( 0.000 -3.527 -1.991) 4.050 5.506 ( 0.000 -3.527 1.991) 4.050 6.522 ( 0.000 2.671 -9.478) 9.847 6.522 ( 0.000 2.671 9.478) 9.847 6.674 ( 0.000 -3.684 -5.153) 6.334 6.674 ( 0.000 -3.684 5.153) 6.334 7.213 ( 0.000 -1.718 -3.271) 3.695 7.213 ( 0.000 -1.718 3.271) 3.695 7.219 ( 0.000 -3.335 -8.800) 9.411 7.219 ( 0.000 -3.335 8.800) 9.411 7.611 ( 0.000 5.795 -11.348) 12.742 7.611 ( 0.000 5.795 11.348) 12.742 7.762 ( 0.000 -1.494 -9.662) 9.777 7.762 ( 0.000 -1.494 9.662) 9.777 9.149 ( 0.000 1.005 -2.594) 2.782 9.149 ( 0.000 1.005 2.594) 2.782 9.189 ( 0.000 -0.638 -4.790) 4.832 9.189 ( 0.000 -0.638 4.790) 4.832 11.215 ( 0.000 0.430 -4.298) 4.319 11.215 ( 0.000 0.430 4.298) 4.319 11.252 ( 0.000 -1.095 -2.846) 3.049 11.252 ( 0.000 -1.095 2.846) 3.049 12.450 ( 0.000 3.293 -2.206) 3.964 12.450 ( 0.000 3.293 2.206) 3.964 12.627 ( 0.000 -4.081 -2.804) 4.951 12.627 ( 0.000 -4.081 2.804) 4.951 15.659 ( 0.000 4.753 -7.975) 9.284 15.659 ( 0.000 4.753 7.975) 9.284 15.848 ( 0.000 -3.099 -8.436) 8.987 15.848 ( 0.000 -3.099 8.436) 8.987 16.251 ( 0.000 2.548 -1.729) 3.079 16.251 ( 0.000 2.548 1.729) 3.079 16.403 ( 0.000 -3.754 -7.604) 8.480 16.403 ( 0.000 -3.754 7.604) 8.480 18.163 ( 0.000 4.751 -9.617) 10.726 18.163 ( 0.000 4.751 9.617) 10.726 18.392 ( 0.000 -4.786 -3.708) 6.055 18.392 ( 0.000 -4.786 3.708) 6.055 19.304 ( 0.000 0.777 -5.176) 5.234 19.304 ( 0.000 0.777 5.176) 5.234 19.338 ( 0.000 -0.649 -5.351) 5.390 19.338 ( 0.000 -0.649 5.351) 5.390 21.561 ( 0.000 1.478 -1.909) 2.415 21.561 ( 0.000 1.478 1.909) 2.415 21.659 ( 0.000 -2.791 -6.036) 6.650 21.659 ( 0.000 -2.791 6.036) 6.650 22.334 ( 0.000 3.880 -4.663) 6.066 22.334 ( 0.000 3.880 4.663) 6.066 22.480 ( 0.000 -2.389 -0.502) 2.441 22.480 ( 0.000 -2.389 0.502) 2.441 ======================= Grid point 245 (82/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 3.974 -2.197 -13.456) 14.202 1.639 ( 3.974 -2.197 13.456) 14.202 1.809 ( -1.757 -5.668 -13.240) 14.510 1.809 ( -1.757 -5.668 13.240) 14.510 2.211 ( -10.441 -0.150 -13.072) 16.730 2.211 ( -10.441 -0.150 13.072) 16.730 2.626 ( 5.591 -2.160 -9.706) 11.408 2.626 ( 5.591 -2.160 9.706) 11.408 3.261 ( -5.572 4.783 -13.841) 15.668 3.261 ( -5.572 4.783 13.841) 15.668 3.618 ( 2.791 -0.572 -9.921) 10.322 3.618 ( 2.791 -0.572 9.921) 10.322 3.947 ( -0.995 1.768 -3.022) 3.639 3.947 ( -0.995 1.768 3.022) 3.639 4.067 ( -4.493 -2.855 -5.312) 7.520 4.067 ( -4.493 -2.855 5.312) 7.520 4.889 ( -2.741 5.284 -4.968) 7.753 4.889 ( -2.741 5.284 4.968) 7.753 5.112 ( 8.396 0.644 -2.710) 8.846 5.112 ( 8.396 0.644 2.710) 8.846 5.296 ( -2.557 1.855 -2.142) 3.817 5.296 ( -2.557 1.855 2.142) 3.817 5.562 ( 3.245 -2.700 -2.305) 4.810 5.562 ( 3.245 -2.700 2.305) 4.810 6.403 ( -8.171 0.265 -9.140) 12.263 6.403 ( -8.171 0.265 9.140) 12.263 6.718 ( 1.184 -1.081 -5.415) 5.647 6.718 ( 1.184 -1.081 5.415) 5.647 7.205 ( -0.281 -2.319 -4.198) 4.804 7.205 ( -0.281 -2.319 4.198) 4.804 7.222 ( -0.146 -1.978 -6.500) 6.796 7.222 ( -0.146 -1.978 6.500) 6.796 7.647 ( 3.464 5.188 -11.378) 12.976 7.647 ( 3.464 5.188 11.378) 12.976 7.796 ( 3.203 -1.684 -9.464) 10.132 7.796 ( 3.203 -1.684 9.464) 10.132 9.142 ( -0.752 0.773 -3.001) 3.189 9.142 ( -0.752 0.773 3.001) 3.189 9.175 ( -1.242 -0.522 -4.281) 4.487 9.175 ( -1.242 -0.522 4.281) 4.487 11.197 ( -1.235 -0.026 -3.709) 3.909 11.197 ( -1.235 -0.026 3.709) 3.909 11.260 ( 0.292 -0.619 -2.749) 2.833 11.260 ( 0.292 -0.619 2.749) 2.833 12.432 ( -1.598 2.801 -2.157) 3.880 12.432 ( -1.598 2.801 2.157) 3.880 12.619 ( -0.893 -3.411 -2.355) 4.240 12.619 ( -0.893 -3.411 2.355) 4.240 15.639 ( -1.797 4.207 -7.294) 8.610 15.639 ( -1.797 4.207 7.294) 8.610 15.844 ( -0.619 -3.112 -9.232) 9.762 15.844 ( -0.619 -3.112 9.232) 9.762 16.281 ( 2.763 2.321 -1.391) 3.868 16.281 ( 2.763 2.321 1.391) 3.868 16.411 ( 1.044 -2.958 -5.532) 6.360 16.411 ( 1.044 -2.958 5.532) 6.360 18.062 ( -7.826 2.315 -11.782) 14.333 18.062 ( -7.826 2.315 11.782) 14.333 18.434 ( 1.750 -2.445 -4.381) 5.313 18.434 ( 1.750 -2.445 4.381) 5.313 19.272 ( -1.226 0.251 -4.676) 4.841 19.272 ( -1.226 0.251 4.676) 4.841 19.386 ( 2.873 -0.138 -5.711) 6.395 19.386 ( 2.873 -0.138 5.711) 6.395 21.551 ( -0.927 1.121 -2.137) 2.586 21.551 ( -0.927 1.121 2.137) 2.586 21.637 ( -2.129 -2.070 -4.539) 5.424 21.637 ( -2.129 -2.070 4.539) 5.424 22.316 ( -0.867 2.241 -6.709) 7.126 22.316 ( -0.867 2.241 6.709) 7.126 22.513 ( 2.320 -1.130 -1.566) 3.018 22.513 ( 2.320 -1.130 1.566) 3.018 ======================= Grid point 247 (83/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -10.389 -1.842 -15.720) 18.933 1.585 ( -10.389 -1.842 15.720) 18.933 1.840 ( 3.584 -5.149 -4.906) 7.964 1.840 ( 3.584 -5.149 4.906) 7.964 2.057 ( -3.517 1.728 -8.481) 9.342 2.057 ( -3.517 1.728 8.481) 9.342 2.666 ( -1.539 -5.209 -5.510) 7.737 2.666 ( -1.539 -5.209 5.510) 7.737 3.192 ( -0.379 2.610 -14.831) 15.064 3.192 ( -0.379 2.610 14.831) 15.064 3.659 ( 0.765 0.232 -3.820) 3.903 3.659 ( 0.765 0.232 3.820) 3.903 3.870 ( -5.187 2.945 -3.364) 6.848 3.870 ( -5.187 2.945 3.364) 6.848 4.026 ( -0.081 -1.819 -5.767) 6.047 4.026 ( -0.081 -1.819 5.767) 6.047 4.836 ( -2.456 6.258 -6.666) 9.467 4.836 ( -2.456 6.258 6.666) 9.467 5.270 ( 5.262 0.222 -1.205) 5.403 5.270 ( 5.262 0.222 1.205) 5.403 5.293 ( 3.857 1.277 -8.260) 9.205 5.293 ( 3.857 1.277 8.260) 9.205 5.574 ( -2.782 -3.039 -4.114) 5.822 5.574 ( -2.782 -3.039 4.114) 5.822 6.276 ( -3.470 -0.397 -10.138) 10.723 6.276 ( -3.470 -0.397 10.138) 10.723 6.691 ( -3.537 -0.639 -5.166) 6.293 6.691 ( -3.537 -0.639 5.166) 6.293 7.199 ( -0.518 -0.496 -3.953) 4.018 7.199 ( -0.518 -0.496 3.953) 4.018 7.215 ( -0.391 -1.639 -5.830) 6.069 7.215 ( -0.391 -1.639 5.830) 6.069 7.734 ( 4.741 3.652 -11.939) 13.355 7.734 ( 4.741 3.652 11.939) 13.355 7.876 ( 4.429 -1.788 -9.308) 10.462 7.876 ( 4.429 -1.788 9.308) 10.462 9.118 ( -1.639 0.053 -5.320) 5.567 9.118 ( -1.639 0.053 5.320) 5.567 9.150 ( -1.073 -0.041 -1.352) 1.727 9.150 ( -1.073 -0.041 1.352) 1.727 11.178 ( -0.567 -0.131 -4.039) 4.081 11.178 ( -0.567 -0.131 4.039) 4.081 11.255 ( -0.814 -0.442 -2.938) 3.081 11.255 ( -0.814 -0.442 2.938) 3.081 12.397 ( -1.673 1.907 -2.042) 3.257 12.397 ( -1.673 1.907 2.042) 3.257 12.587 ( -2.335 -2.119 -1.278) 3.402 12.587 ( -2.335 -2.119 1.278) 3.402 15.600 ( -1.793 2.902 -6.043) 6.939 15.600 ( -1.793 2.902 6.043) 6.939 15.813 ( -2.608 -2.774 -10.561) 11.226 15.813 ( -2.608 -2.774 10.561) 11.226 16.348 ( 3.701 1.594 -1.577) 4.327 16.348 ( 3.701 1.594 1.577) 4.327 16.458 ( 3.742 -1.319 -1.033) 4.100 16.458 ( 3.742 -1.319 1.033) 4.100 17.911 ( -6.499 0.775 -14.402) 15.820 17.911 ( -6.499 0.775 14.402) 15.820 18.409 ( -4.491 -1.036 -4.095) 6.165 18.409 ( -4.491 -1.036 4.095) 6.165 19.276 ( 1.661 0.112 -3.805) 4.154 19.276 ( 1.661 0.112 3.805) 4.154 19.434 ( 1.810 -0.051 -5.924) 6.195 19.434 ( 1.810 -0.051 5.924) 6.195 21.530 ( -1.045 0.575 -2.775) 3.021 21.530 ( -1.045 0.575 2.776) 3.021 21.584 ( -2.775 -0.982 -4.263) 5.180 21.584 ( -2.775 -0.982 4.263) 5.180 22.319 ( 1.252 0.824 -8.673) 8.802 22.319 ( 1.252 0.824 8.673) 8.802 22.544 ( 0.434 -0.295 -3.283) 3.325 22.544 ( 0.434 -0.295 3.283) 3.325 ======================= Grid point 249 (84/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -9.132 -0.184 -14.359) 17.018 1.364 ( -9.132 -0.184 14.359) 17.018 1.735 ( -12.262 -5.951 -6.937) 15.293 1.735 ( -12.262 -5.951 6.937) 15.293 2.151 ( 9.743 2.682 -4.712) 11.150 2.151 ( 9.743 2.682 4.712) 11.150 2.600 ( -4.268 -6.431 -2.877) 8.237 2.600 ( -4.268 -6.431 2.877) 8.237 3.238 ( 4.353 0.908 -11.634) 12.455 3.238 ( 4.353 0.908 11.634) 12.455 3.608 ( -5.776 -2.340 -3.655) 7.224 3.608 ( -5.776 -2.340 3.655) 7.224 3.835 ( 1.969 6.496 -6.814) 9.618 3.835 ( 1.969 6.496 6.814) 9.618 4.020 ( -1.019 -0.434 -6.571) 6.663 4.020 ( -1.019 -0.434 6.571) 6.663 4.817 ( 1.332 4.697 -7.162) 8.668 4.817 ( 1.332 4.697 7.162) 8.668 5.288 ( -3.722 2.914 -1.518) 4.964 5.288 ( -3.722 2.914 1.518) 4.964 5.412 ( 5.067 -0.583 -7.015) 8.673 5.412 ( 5.067 -0.583 7.015) 8.673 5.482 ( -3.338 -3.310 -6.432) 7.967 5.482 ( -3.338 -3.310 6.432) 7.967 6.276 ( 2.890 -0.719 -9.032) 9.510 6.276 ( 2.890 -0.719 9.032) 9.510 6.596 ( -5.598 -1.008 -5.712) 8.061 6.596 ( -5.598 -1.008 5.712) 8.061 7.187 ( -0.503 0.245 -5.412) 5.441 7.187 ( -0.503 0.245 5.412) 5.441 7.206 ( -0.579 -0.493 -5.399) 5.452 7.206 ( -0.579 -0.493 5.399) 5.452 7.825 ( 4.316 1.936 -13.027) 13.860 7.825 ( 4.316 1.936 13.027) 13.860 7.948 ( 2.292 -1.402 -10.416) 10.757 7.948 ( 2.292 -1.402 10.416) 10.757 9.089 ( -0.882 -0.210 -5.032) 5.113 9.089 ( -0.882 -0.210 5.032) 5.113 9.132 ( -0.891 0.051 -0.643) 1.100 9.132 ( -0.891 0.051 0.643) 1.100 11.175 ( 0.230 -0.029 -4.726) 4.731 11.175 ( 0.230 -0.029 4.726) 4.731 11.232 ( -1.343 -0.425 -3.697) 3.956 11.232 ( -1.343 -0.425 3.697) 3.956 12.376 ( -0.158 1.112 -1.914) 2.219 12.376 ( -0.158 1.112 1.914) 2.219 12.527 ( -3.576 -0.974 -0.645) 3.762 12.527 ( -3.576 -0.974 0.645) 3.762 15.579 ( -0.093 1.458 -5.513) 5.703 15.579 ( -0.093 1.458 5.513) 5.703 15.744 ( -4.104 -1.846 -10.330) 11.268 15.744 ( -4.104 -1.846 10.330) 11.268 16.426 ( 4.216 0.893 -1.195) 4.473 16.426 ( 4.216 0.893 1.195) 4.473 16.535 ( 3.149 -0.258 -3.993) 5.092 16.535 ( 3.149 -0.258 3.993) 5.092 17.832 ( -0.812 0.155 -13.905) 13.930 17.832 ( -0.812 0.155 13.905) 13.930 18.265 ( -9.454 -0.451 -2.017) 9.678 18.265 ( -9.454 -0.451 2.017) 9.678 19.328 ( 3.231 0.043 -3.460) 4.734 19.328 ( 3.231 0.043 3.460) 4.734 19.454 ( 0.126 -0.024 -5.706) 5.708 19.454 ( 0.126 -0.024 5.706) 5.708 21.512 ( -0.662 0.269 -3.048) 3.131 21.512 ( -0.662 0.269 3.048) 3.131 21.537 ( -1.796 -0.447 -3.796) 4.223 21.537 ( -1.796 -0.447 3.796) 4.223 22.360 ( 2.620 0.261 -8.435) 8.836 22.360 ( 2.620 0.261 8.435) 8.836 22.529 ( -1.777 -0.009 -4.480) 4.820 22.529 ( -1.777 -0.009 4.480) 4.820 ======================= Grid point 251 (85/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 2.867 -1.403 -10.710) 11.175 1.293 ( 2.867 -1.403 10.710) 11.175 1.464 ( -12.933 -3.324 -7.657) 15.393 1.464 ( -12.933 -3.324 7.657) 15.393 2.346 ( 9.082 -0.583 -3.461) 9.737 2.346 ( 9.082 -0.583 3.461) 9.737 2.499 ( -6.226 -3.910 -3.333) 8.072 2.499 ( -6.226 -3.910 3.333) 8.072 3.345 ( 6.104 -0.515 -8.661) 10.608 3.345 ( 6.104 -0.515 8.661) 10.608 3.475 ( -6.873 -1.557 -6.043) 9.283 3.475 ( -6.873 -1.557 6.043) 9.283 3.903 ( 4.031 4.668 -6.594) 9.029 3.903 ( 4.031 4.668 6.594) 9.029 3.978 ( -3.185 2.182 -6.870) 7.881 3.978 ( -3.185 2.182 6.870) 7.881 4.909 ( 7.927 2.628 -6.153) 10.373 4.909 ( 7.927 2.628 6.153) 10.373 5.111 ( -11.315 1.793 -5.434) 12.680 5.111 ( -11.315 1.793 5.434) 12.680 5.478 ( 1.664 -0.956 -5.809) 6.118 5.478 ( 1.664 -0.956 5.810) 6.119 5.483 ( 1.085 -0.764 -4.972) 5.146 5.483 ( 1.085 -0.764 4.971) 5.145 6.364 ( 5.395 -1.064 -7.441) 9.253 6.364 ( 5.395 -1.064 7.441) 9.253 6.479 ( -5.997 -1.189 -6.476) 8.906 6.479 ( -5.997 -1.189 6.476) 8.906 7.184 ( 0.174 0.430 -5.876) 5.895 7.184 ( 0.174 0.430 5.876) 5.895 7.193 ( -0.654 0.264 -5.748) 5.791 7.193 ( -0.654 0.264 5.748) 5.791 7.904 ( 3.555 0.469 -13.474) 13.943 7.904 ( 3.555 0.469 13.474) 13.943 7.957 ( -1.403 -0.655 -12.447) 12.543 7.957 ( -1.403 -0.655 12.447) 12.543 9.089 ( 0.770 -0.153 -2.725) 2.836 9.089 ( 0.770 -0.153 2.725) 2.836 9.111 ( -1.215 -0.060 -1.081) 1.628 9.111 ( -1.215 -0.060 1.081) 1.628 11.186 ( 0.807 -0.068 -5.026) 5.091 11.186 ( 0.807 -0.068 5.026) 5.091 11.206 ( -1.215 -0.289 -4.614) 4.780 11.206 ( -1.215 -0.289 4.614) 4.780 12.395 ( 2.049 0.462 -1.715) 2.712 12.395 ( 2.049 0.462 1.715) 2.712 12.453 ( -3.580 -0.161 -1.278) 3.805 12.453 ( -3.580 -0.161 1.278) 3.805 15.600 ( 2.172 0.243 -6.470) 6.830 15.600 ( 2.172 0.243 6.470) 6.830 15.662 ( -3.846 -0.797 -8.494) 9.358 15.662 ( -3.846 -0.797 8.494) 9.358 16.509 ( 3.748 0.488 -1.670) 4.132 16.509 ( 3.748 0.488 1.670) 4.132 16.559 ( -0.902 0.178 -3.511) 3.629 16.559 ( -0.902 0.178 3.511) 3.629 17.889 ( 6.334 -0.071 -9.605) 11.506 17.889 ( 6.334 -0.071 9.605) 11.506 18.061 ( -10.245 -0.203 -4.257) 11.096 18.061 ( -10.245 -0.203 4.257) 11.096 19.392 ( 2.945 0.011 -4.096) 5.045 19.392 ( 2.945 0.011 4.096) 5.045 19.439 ( -1.628 -0.009 -5.029) 5.286 19.439 ( -1.628 -0.009 5.029) 5.286 21.505 ( -0.005 0.056 -1.475) 1.477 21.505 ( -0.005 0.056 1.475) 1.477 21.513 ( -0.756 -0.195 -1.624) 1.802 21.513 ( -0.756 -0.195 1.624) 1.802 22.418 ( 3.136 0.108 -7.094) 7.757 22.418 ( 3.136 0.108 7.094) 7.757 22.480 ( -2.958 0.074 -5.659) 6.386 22.480 ( -2.958 0.074 5.659) 6.386 ======================= Grid point 261 (86/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 -7.016 -16.871) 18.272 1.645 ( 0.000 7.016 -16.871) 18.272 1.645 ( 0.000 -7.016 16.871) 18.272 1.645 ( 0.000 7.016 16.871) 18.272 2.448 ( 0.000 -1.307 -9.045) 9.139 2.448 ( 0.000 1.307 -9.045) 9.139 2.448 ( 0.000 -1.307 9.045) 9.139 2.448 ( 0.000 1.307 9.045) 9.139 3.475 ( 0.000 -5.366 -13.507) 14.534 3.475 ( 0.000 5.366 -13.507) 14.534 3.475 ( 0.000 -5.366 13.507) 14.534 3.475 ( 0.000 5.366 13.507) 14.534 4.035 ( 0.000 -5.039 -6.108) 7.918 4.035 ( 0.000 5.039 -6.108) 7.918 4.035 ( 0.000 -5.039 6.108) 7.918 4.035 ( 0.000 5.039 6.108) 7.918 4.999 ( 0.000 -0.109 -5.657) 5.658 4.999 ( 0.000 0.109 -5.657) 5.658 4.999 ( 0.000 -0.109 5.657) 5.658 4.999 ( 0.000 0.109 5.657) 5.658 5.423 ( 0.000 -4.023 -2.433) 4.702 5.423 ( 0.000 -4.023 2.433) 4.702 5.423 ( 0.000 4.023 -2.433) 4.702 5.423 ( 0.000 4.023 2.433) 4.702 6.592 ( 0.000 -3.188 -7.383) 8.042 6.592 ( 0.000 3.188 -7.383) 8.042 6.592 ( 0.000 -3.188 7.383) 8.042 6.592 ( 0.000 3.188 7.383) 8.042 7.188 ( 0.000 -0.115 -6.266) 6.267 7.188 ( 0.000 0.115 -6.266) 6.267 7.188 ( 0.000 -0.115 6.266) 6.267 7.188 ( 0.000 0.115 6.266) 6.267 7.710 ( 0.000 -4.075 -10.156) 10.943 7.710 ( 0.000 4.075 -10.156) 10.943 7.710 ( 0.000 -4.075 10.156) 10.943 7.710 ( 0.000 4.075 10.156) 10.943 9.171 ( 0.000 -1.155 -3.649) 3.827 9.171 ( 0.000 1.155 -3.649) 3.827 9.171 ( 0.000 -1.155 3.649) 3.827 9.171 ( 0.000 1.155 3.649) 3.827 11.229 ( 0.000 -0.864 -3.998) 4.091 11.229 ( 0.000 0.864 -3.998) 4.091 11.229 ( 0.000 -0.864 3.998) 4.091 11.229 ( 0.000 0.864 3.998) 4.091 12.534 ( 0.000 -5.019 -3.284) 5.998 12.534 ( 0.000 -5.019 3.284) 5.998 12.534 ( 0.000 5.019 -3.284) 5.998 12.534 ( 0.000 5.019 3.284) 5.998 15.764 ( 0.000 -5.392 -9.198) 10.662 15.764 ( 0.000 5.392 -9.198) 10.662 15.764 ( 0.000 -5.392 9.198) 10.662 15.764 ( 0.000 5.392 9.198) 10.662 16.320 ( 0.000 -4.419 -4.463) 6.281 16.320 ( 0.000 4.419 -4.463) 6.281 16.320 ( 0.000 -4.419 4.463) 6.281 16.320 ( 0.000 4.419 4.463) 6.281 18.277 ( 0.000 -5.647 -6.658) 8.730 18.277 ( 0.000 5.647 -6.658) 8.730 18.277 ( 0.000 -5.647 6.658) 8.730 18.277 ( 0.000 5.647 6.658) 8.730 19.322 ( 0.000 -0.536 -5.295) 5.322 19.322 ( 0.000 0.536 -5.295) 5.322 19.322 ( 0.000 -0.536 5.295) 5.322 19.322 ( 0.000 0.536 5.295) 5.322 21.602 ( 0.000 -2.726 -3.474) 4.416 21.602 ( 0.000 2.726 -3.474) 4.416 21.602 ( 0.000 -2.726 3.474) 4.416 21.602 ( 0.000 2.726 3.474) 4.416 22.416 ( 0.000 -3.708 -1.927) 4.179 22.416 ( 0.000 -3.708 1.927) 4.179 22.416 ( 0.000 3.708 -1.927) 4.179 22.416 ( 0.000 3.708 1.927) 4.179 ======================= Grid point 265 (87/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.113 0.000 -21.677) 21.677 1.635 ( 0.113 0.000 21.677) 21.677 1.713 ( 4.053 -0.000 -12.675) 13.307 1.713 ( 4.053 -0.000 12.675) 13.307 2.215 ( -11.341 0.000 -9.069) 14.521 2.215 ( -11.341 0.000 9.069) 14.521 2.604 ( 4.329 0.000 -7.352) 8.532 2.604 ( 4.329 0.000 7.352) 8.532 3.311 ( -7.579 0.000 -16.386) 18.054 3.311 ( -7.579 -0.000 16.386) 18.054 3.611 ( 5.274 0.000 -10.012) 11.316 3.611 ( 5.274 0.000 10.012) 11.316 3.983 ( -3.927 -0.000 -3.453) 5.229 3.983 ( -3.927 -0.000 3.453) 5.229 4.022 ( -1.677 -0.000 -7.495) 7.681 4.022 ( -1.677 0.000 7.496) 7.681 4.954 ( -1.267 0.000 -6.902) 7.017 4.954 ( -1.267 0.000 6.902) 7.017 5.117 ( 7.364 0.000 -4.917) 8.854 5.117 ( 7.364 0.000 4.917) 8.854 5.322 ( -3.409 0.000 -4.438) 5.596 5.322 ( -3.409 -0.000 4.438) 5.596 5.525 ( 3.592 0.000 -6.157) 7.128 5.525 ( 3.592 0.000 6.157) 7.128 6.406 ( -9.122 0.000 -8.252) 12.301 6.406 ( -9.122 0.000 8.252) 12.301 6.705 ( 2.229 0.000 -6.177) 6.567 6.705 ( 2.229 0.000 6.177) 6.567 7.174 ( 0.091 0.000 -6.346) 6.347 7.174 ( 0.091 0.000 6.346) 6.347 7.205 ( 0.311 0.000 -4.836) 4.846 7.205 ( 0.311 0.000 4.836) 4.846 7.734 ( 2.310 0.000 -10.456) 10.708 7.734 ( 2.310 0.000 10.456) 10.708 7.748 ( 3.613 -0.000 -9.726) 10.376 7.748 ( 3.613 -0.000 9.726) 10.376 9.155 ( -1.456 0.000 -5.346) 5.541 9.155 ( -1.456 -0.000 5.346) 5.541 9.165 ( -0.666 0.000 -1.877) 1.991 9.165 ( -0.666 0.000 1.877) 1.991 11.197 ( -1.470 0.000 -3.858) 4.129 11.197 ( -1.470 0.000 3.858) 4.129 11.253 ( 0.555 -0.000 -4.106) 4.144 11.253 ( 0.555 0.000 4.106) 4.144 12.480 ( -2.961 0.000 -3.354) 4.474 12.480 ( -2.961 0.000 3.354) 4.474 12.564 ( 0.669 -0.000 -2.727) 2.808 12.564 ( 0.669 0.000 2.727) 2.808 15.710 ( -3.275 -0.000 -7.835) 8.492 15.710 ( -3.275 -0.000 7.835) 8.492 15.787 ( 0.266 0.000 -10.454) 10.457 15.787 ( 0.266 0.000 10.454) 10.457 16.331 ( 1.315 -0.000 -5.366) 5.525 16.331 ( 1.315 0.000 5.366) 5.525 16.352 ( 3.085 0.000 -1.510) 3.435 16.352 ( 3.085 -0.000 1.510) 3.435 18.092 ( -9.586 -0.000 -10.673) 14.346 18.092 ( -9.586 -0.000 10.673) 14.346 18.401 ( 3.417 0.000 -5.478) 6.456 18.401 ( 3.417 0.000 5.478) 6.456 19.275 ( -1.356 0.000 -4.748) 4.938 19.275 ( -1.356 0.000 4.748) 4.938 19.384 ( 2.982 0.000 -5.714) 6.446 19.384 ( 2.982 0.000 5.714) 6.446 21.572 ( -1.767 0.000 -5.190) 5.482 21.572 ( -1.767 -0.000 5.190) 5.482 21.604 ( -0.944 0.000 -5.227) 5.311 21.604 ( -0.944 0.000 5.227) 5.311 22.345 ( -2.325 0.000 -6.077) 6.506 22.345 ( -2.325 0.000 6.077) 6.506 22.497 ( 3.414 0.000 -2.125) 4.021 22.497 ( 3.414 0.000 2.125) 4.021 ======================= Grid point 269 (88/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -8.242 0.000 -26.012) 27.286 1.570 ( -8.242 0.000 26.012) 27.286 1.762 ( -0.405 0.000 -6.743) 6.755 1.762 ( -0.405 0.000 6.743) 6.755 2.088 ( 0.507 0.000 -6.966) 6.985 2.088 ( 0.507 0.000 6.966) 6.985 2.604 ( -3.799 0.000 -2.513) 4.555 2.604 ( -3.799 0.000 2.513) 4.555 3.217 ( -1.224 0.000 -15.564) 15.612 3.217 ( -1.224 -0.000 15.564) 15.612 3.664 ( -0.705 0.000 -3.273) 3.348 3.664 ( -0.705 0.000 3.273) 3.348 3.914 ( -1.866 0.000 -3.723) 4.164 3.914 ( -1.866 0.000 3.723) 4.164 3.996 ( -0.490 -0.000 -7.295) 7.312 3.996 ( -0.490 0.000 7.295) 7.312 4.915 ( -2.715 0.000 -8.686) 9.101 4.915 ( -2.715 0.000 8.686) 9.101 5.267 ( 7.048 0.000 -3.946) 8.078 5.267 ( 7.048 0.000 3.946) 8.078 5.314 ( 2.519 0.000 -11.133) 11.414 5.314 ( 2.519 -0.000 11.133) 11.414 5.534 ( -3.324 0.000 -7.857) 8.532 5.534 ( -3.324 0.000 7.857) 8.532 6.271 ( -3.624 0.000 -9.701) 10.356 6.271 ( -3.624 0.000 9.701) 10.356 6.683 ( -3.716 0.000 -5.245) 6.428 6.683 ( -3.716 0.000 5.245) 6.428 7.188 ( 0.932 0.000 -5.019) 5.104 7.188 ( 0.932 0.000 5.019) 5.104 7.201 ( -0.530 0.000 -4.719) 4.748 7.201 ( -0.529 -0.000 4.719) 4.748 7.790 ( 3.129 0.000 -11.351) 11.774 7.790 ( 3.129 0.000 11.351) 11.774 7.841 ( 5.160 -0.000 -9.482) 10.795 7.841 ( 5.160 -0.000 9.482) 10.795 9.118 ( -2.041 0.000 -6.091) 6.424 9.118 ( -2.041 0.000 6.091) 6.424 9.149 ( -0.812 0.000 -0.717) 1.084 9.149 ( -0.812 0.000 0.717) 1.084 11.176 ( -0.530 0.000 -4.330) 4.363 11.176 ( -0.530 -0.000 4.330) 4.363 11.250 ( -0.789 0.000 -3.815) 3.895 11.250 ( -0.789 0.000 3.815) 3.895 12.424 ( -2.455 0.000 -3.075) 3.935 12.424 ( -2.455 0.000 3.075) 3.935 12.557 ( -1.300 -0.000 -1.726) 2.161 12.557 ( -1.300 0.000 1.726) 2.161 15.643 ( -3.063 0.000 -6.299) 7.004 15.643 ( -3.063 -0.000 6.299) 7.004 15.771 ( -1.816 0.000 -11.321) 11.466 15.771 ( -1.816 0.000 11.321) 11.466 16.371 ( 2.704 -0.000 -3.938) 4.777 16.371 ( 2.704 0.000 3.938) 4.777 16.438 ( 5.147 0.000 -2.959) 5.936 16.438 ( 5.147 0.000 2.959) 5.936 17.920 ( -7.105 -0.000 -13.912) 15.621 17.920 ( -7.105 -0.000 13.912) 15.621 18.397 ( -3.937 0.000 -4.890) 6.278 18.397 ( -3.937 0.000 4.890) 6.278 19.277 ( 1.602 0.000 -3.875) 4.193 19.277 ( 1.602 0.000 3.875) 4.193 19.433 ( 1.836 0.000 -5.932) 6.210 19.433 ( 1.836 0.000 5.932) 6.210 21.539 ( -1.438 0.000 -5.310) 5.501 21.539 ( -1.438 0.000 5.310) 5.501 21.570 ( -2.148 0.000 -7.594) 7.892 21.570 ( -2.148 0.000 7.594) 7.892 22.330 ( 0.681 0.000 -8.701) 8.727 22.330 ( 0.681 0.000 8.701) 8.727 22.540 ( 0.741 0.000 -3.741) 3.813 22.540 ( 0.741 0.000 3.741) 3.813 ======================= Grid point 273 (89/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -9.441 -0.000 -21.892) 23.841 1.366 ( -9.441 -0.000 21.892) 23.841 1.657 ( -10.035 0.000 -3.567) 10.650 1.657 ( -10.035 0.000 3.567) 10.650 2.192 ( 7.798 0.000 -6.218) 9.973 2.192 ( 7.798 0.000 6.218) 9.973 2.516 ( -3.805 0.000 -4.284) 5.730 2.516 ( -3.805 -0.000 4.284) 5.730 3.247 ( 3.527 0.000 -11.525) 12.053 3.247 ( 3.527 -0.000 11.525) 12.053 3.588 ( -5.940 0.000 -3.633) 6.962 3.588 ( -5.940 0.000 3.633) 6.962 3.919 ( 1.725 0.000 -8.048) 8.230 3.919 ( 1.725 0.000 8.048) 8.230 4.001 ( 0.495 -0.000 -6.593) 6.612 4.001 ( 0.495 0.000 6.593) 6.612 4.877 ( -0.034 0.000 -8.572) 8.573 4.877 ( -0.034 0.000 8.572) 8.573 5.337 ( -5.200 0.000 -6.371) 8.224 5.337 ( -5.200 -0.000 6.371) 8.224 5.392 ( 4.381 0.000 -13.552) 14.242 5.392 ( 4.381 -0.000 13.552) 14.242 5.439 ( -0.491 -0.000 -5.022) 5.046 5.439 ( -0.491 0.000 5.022) 5.046 6.267 ( 2.669 0.000 -8.782) 9.179 6.267 ( 2.669 0.000 8.782) 9.179 6.584 ( -5.806 0.000 -5.694) 8.132 6.584 ( -5.806 0.000 5.694) 8.132 7.191 ( -0.375 0.000 -5.447) 5.459 7.191 ( -0.375 0.000 5.447) 5.459 7.199 ( 0.138 -0.000 -5.102) 5.104 7.199 ( 0.138 -0.000 5.102) 5.104 7.853 ( 3.094 0.000 -12.666) 13.039 7.853 ( 3.094 0.000 12.666) 13.039 7.927 ( 2.897 -0.000 -10.740) 11.123 7.927 ( 2.897 -0.000 10.740) 11.123 9.086 ( -0.887 0.000 -5.045) 5.123 9.086 ( -0.887 0.000 5.045) 5.123 9.132 ( -0.950 0.000 -0.914) 1.318 9.132 ( -0.950 -0.000 0.914) 1.318 11.175 ( 0.282 0.000 -4.999) 5.007 11.175 ( 0.282 -0.000 4.999) 5.007 11.227 ( -1.320 0.000 -3.892) 4.110 11.227 ( -1.320 0.000 3.892) 4.110 12.391 ( -0.670 0.000 -2.495) 2.583 12.391 ( -0.670 0.000 2.495) 2.583 12.514 ( -2.906 -0.000 -0.772) 3.006 12.514 ( -2.906 0.000 0.772) 3.006 15.600 ( -1.078 0.000 -5.525) 5.629 15.600 ( -1.078 -0.000 5.525) 5.629 15.718 ( -3.300 0.000 -10.676) 11.174 15.718 ( -3.300 0.000 10.676) 11.174 16.438 ( 3.863 -0.000 -2.147) 4.420 16.438 ( 3.863 0.000 2.147) 4.420 16.532 ( 3.579 0.000 -4.911) 6.077 16.532 ( 3.579 0.000 4.911) 6.077 17.834 ( -1.036 0.000 -13.748) 13.787 17.834 ( -1.036 -0.000 13.748) 13.787 18.259 ( -9.225 0.000 -2.880) 9.664 18.259 ( -9.225 0.000 2.880) 9.664 19.329 ( 3.204 0.000 -3.481) 4.731 19.329 ( 3.204 0.000 3.481) 4.731 19.454 ( 0.136 0.000 -5.729) 5.730 19.454 ( 0.136 0.000 5.729) 5.730 21.517 ( -0.812 0.000 -3.622) 3.712 21.517 ( -0.812 0.000 3.622) 3.712 21.531 ( -1.588 0.000 -6.324) 6.521 21.531 ( -1.588 -0.000 6.324) 6.521 22.363 ( 2.441 0.000 -8.544) 8.886 22.363 ( 2.441 0.000 8.544) 8.886 22.529 ( -1.682 0.000 -4.591) 4.889 22.529 ( -1.682 0.000 4.591) 4.889 ======================= Grid point 277 (90/90) ======================= 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 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 1.575 -0.000 -15.176) 15.257 1.277 ( 1.575 0.000 15.176) 15.257 1.421 ( -11.538 0.000 -9.096) 14.692 1.421 ( -11.538 0.000 9.096) 14.692 2.344 ( 6.721 0.000 -7.718) 10.234 2.344 ( 6.721 0.000 7.718) 10.235 2.448 ( -3.819 0.000 -7.660) 8.559 2.448 ( -3.819 -0.000 7.660) 8.559 3.339 ( 5.483 0.000 -8.393) 10.025 3.339 ( 5.483 -0.000 8.393) 10.025 3.459 ( -6.501 0.000 -5.952) 8.814 3.459 ( -6.501 0.000 5.952) 8.814 3.961 ( 2.219 0.000 -7.520) 7.840 3.961 ( 2.219 0.000 7.520) 7.840 3.997 ( -1.085 -0.000 -6.719) 6.806 3.997 ( -1.085 0.000 6.719) 6.806 4.943 ( 6.857 0.000 -6.688) 9.579 4.943 ( 6.857 0.000 6.688) 9.579 5.133 ( -11.378 0.000 -4.738) 12.325 5.133 ( -11.378 -0.000 4.738) 12.325 5.463 ( 2.348 0.000 -12.711) 12.926 5.463 ( 2.348 -0.000 12.711) 12.926 5.475 ( 1.145 0.000 -9.995) 10.061 5.475 ( 1.145 0.000 9.995) 10.061 6.351 ( 5.251 0.000 -7.266) 8.965 6.351 ( 5.251 0.000 7.266) 8.965 6.464 ( -6.024 0.000 -6.375) 8.771 6.464 ( -6.024 0.000 6.375) 8.771 7.189 ( 0.185 0.000 -5.860) 5.862 7.189 ( 0.185 0.000 5.860) 5.862 7.196 ( -0.379 -0.000 -5.686) 5.698 7.196 ( -0.379 0.000 5.686) 5.698 7.911 ( 2.627 0.000 -13.468) 13.721 7.911 ( 2.627 0.000 13.468) 13.721 7.947 ( -0.703 -0.000 -12.728) 12.747 7.947 ( -0.703 -0.000 12.728) 12.747 9.087 ( 0.822 0.000 -2.866) 2.981 9.087 ( 0.822 0.000 2.866) 2.981 9.110 ( -1.278 0.000 -1.428) 1.916 9.110 ( -1.278 -0.000 1.428) 1.917 11.185 ( 0.702 0.000 -5.161) 5.208 11.185 ( 0.702 -0.000 5.161) 5.208 11.202 ( -1.075 0.000 -4.619) 4.742 11.202 ( -1.075 0.000 4.619) 4.742 12.401 ( 1.650 0.000 -1.671) 2.349 12.401 ( 1.650 0.000 1.671) 2.349 12.451 ( -3.136 -0.000 -0.848) 3.249 12.451 ( -3.136 -0.000 0.848) 3.249 15.604 ( 1.423 0.000 -6.454) 6.609 15.604 ( 1.423 -0.000 6.454) 6.609 15.651 ( -3.141 0.000 -8.616) 9.171 15.651 ( -3.141 0.000 8.616) 9.171 16.515 ( 3.541 0.000 -2.095) 4.114 16.515 ( 3.541 0.000 2.095) 4.114 16.561 ( -0.699 0.000 -3.969) 4.030 16.561 ( -0.699 0.000 3.969) 4.030 17.888 ( 6.249 0.000 -9.616) 11.468 17.888 ( 6.249 0.000 9.616) 11.468 18.059 ( -10.148 0.000 -4.480) 11.093 18.059 ( -10.148 0.000 4.481) 11.093 19.392 ( 2.931 0.000 -4.103) 5.042 19.392 ( 2.931 0.000 4.103) 5.042 19.439 ( -1.618 0.000 -5.050) 5.303 19.439 ( -1.618 0.000 5.050) 5.303 21.507 ( -0.200 0.000 -0.715) 0.743 21.507 ( -0.200 0.000 0.715) 0.743 21.510 ( -0.557 0.000 -2.929) 2.981 21.510 ( -0.557 -0.000 2.929) 2.981 22.419 ( 3.100 0.000 -7.074) 7.723 22.419 ( 3.100 0.000 7.074) 7.723 22.481 ( -2.936 0.000 -5.577) 6.302 22.481 ( -2.936 0.000 5.577) 6.302 =================== 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 3/25920 10.0 254.478 126.595 224.930 0.000 0.000 -0.000 3/25920 20.0 79.835 37.462 62.213 0.000 0.000 -0.000 3/25920 30.0 41.352 19.519 34.466 0.000 0.000 -0.000 3/25920 40.0 26.041 12.271 23.164 0.000 0.000 -0.000 3/25920 50.0 18.467 8.707 17.244 0.000 0.000 -0.000 3/25920 60.0 14.148 6.683 13.698 0.000 0.000 -0.000 3/25920 70.0 11.420 5.405 11.380 0.000 0.000 -0.000 3/25920 80.0 9.563 4.534 9.763 0.000 0.000 -0.000 3/25920 90.0 8.224 3.905 8.577 0.000 0.000 -0.000 3/25920 100.0 7.217 3.431 7.670 0.000 0.000 -0.000 3/25920 110.0 6.434 3.061 6.954 0.000 0.000 -0.000 3/25920 120.0 5.807 2.765 6.372 0.000 0.000 -0.000 3/25920 130.0 5.296 2.522 5.889 0.000 0.000 -0.000 3/25920 140.0 4.871 2.320 5.482 0.000 0.000 -0.000 3/25920 150.0 4.512 2.150 5.132 0.000 0.000 -0.000 3/25920 160.0 4.205 2.003 4.828 0.000 0.000 -0.000 3/25920 170.0 3.940 1.876 4.561 0.000 0.000 -0.000 3/25920 180.0 3.708 1.765 4.324 0.000 0.000 -0.000 3/25920 190.0 3.504 1.667 4.113 0.000 0.000 -0.000 3/25920 200.0 3.323 1.579 3.923 0.000 0.000 -0.000 3/25920 210.0 3.161 1.501 3.751 0.000 0.000 -0.000 3/25920 220.0 3.015 1.431 3.594 0.000 0.000 -0.000 3/25920 230.0 2.883 1.367 3.451 0.000 0.000 -0.000 3/25920 240.0 2.763 1.309 3.319 0.000 0.000 -0.000 3/25920 250.0 2.653 1.256 3.198 0.000 0.000 -0.000 3/25920 260.0 2.552 1.207 3.085 0.000 0.000 -0.000 3/25920 270.0 2.459 1.162 2.981 0.000 0.000 -0.000 3/25920 280.0 2.373 1.120 2.883 0.000 0.000 -0.000 3/25920 290.0 2.293 1.082 2.792 0.000 0.000 -0.000 3/25920 300.0 2.218 1.046 2.707 0.000 0.000 -0.000 3/25920 310.0 2.149 1.012 2.627 0.000 0.000 -0.000 3/25920 320.0 2.084 0.981 2.551 0.000 0.000 -0.000 3/25920 330.0 2.022 0.951 2.480 0.000 0.000 -0.000 3/25920 340.0 1.965 0.923 2.413 0.000 0.000 -0.000 3/25920 350.0 1.911 0.897 2.349 0.000 0.000 -0.000 3/25920 360.0 1.859 0.873 2.289 0.000 0.000 -0.000 3/25920 370.0 1.811 0.849 2.232 0.000 0.000 -0.000 3/25920 380.0 1.765 0.827 2.177 0.000 0.000 -0.000 3/25920 390.0 1.721 0.806 2.125 0.000 0.000 -0.000 3/25920 400.0 1.680 0.786 2.076 0.000 0.000 -0.000 3/25920 410.0 1.640 0.767 2.029 0.000 0.000 -0.000 3/25920 420.0 1.603 0.749 1.984 0.000 0.000 -0.000 3/25920 430.0 1.567 0.732 1.941 0.000 0.000 -0.000 3/25920 440.0 1.532 0.716 1.899 0.000 0.000 -0.000 3/25920 450.0 1.500 0.700 1.860 0.000 0.000 -0.000 3/25920 460.0 1.468 0.685 1.822 0.000 0.000 -0.000 3/25920 470.0 1.438 0.671 1.785 0.000 0.000 -0.000 3/25920 480.0 1.409 0.657 1.750 0.000 0.000 -0.000 3/25920 490.0 1.381 0.644 1.717 0.000 0.000 -0.000 3/25920 500.0 1.355 0.631 1.684 0.000 0.000 -0.000 3/25920 510.0 1.329 0.619 1.653 0.000 0.000 -0.000 3/25920 520.0 1.304 0.607 1.623 0.000 0.000 -0.000 3/25920 530.0 1.280 0.596 1.594 0.000 0.000 -0.000 3/25920 540.0 1.257 0.585 1.566 0.000 0.000 -0.000 3/25920 550.0 1.235 0.575 1.539 0.000 0.000 -0.000 3/25920 560.0 1.214 0.565 1.512 0.000 0.000 -0.000 3/25920 570.0 1.193 0.555 1.487 0.000 0.000 -0.000 3/25920 580.0 1.173 0.545 1.463 0.000 0.000 -0.000 3/25920 590.0 1.154 0.536 1.439 0.000 0.000 -0.000 3/25920 600.0 1.135 0.527 1.416 0.000 0.000 -0.000 3/25920 610.0 1.117 0.519 1.394 0.000 0.000 -0.000 3/25920 620.0 1.100 0.511 1.372 0.000 0.000 -0.000 3/25920 630.0 1.083 0.503 1.351 0.000 0.000 -0.000 3/25920 640.0 1.066 0.495 1.331 0.000 0.000 -0.000 3/25920 650.0 1.050 0.487 1.311 0.000 0.000 -0.000 3/25920 660.0 1.035 0.480 1.292 0.000 0.000 -0.000 3/25920 670.0 1.020 0.473 1.274 0.000 0.000 -0.000 3/25920 680.0 1.005 0.466 1.256 0.000 0.000 -0.000 3/25920 690.0 0.991 0.459 1.238 0.000 0.000 -0.000 3/25920 700.0 0.977 0.453 1.221 0.000 0.000 -0.000 3/25920 710.0 0.963 0.447 1.204 0.000 0.000 -0.000 3/25920 720.0 0.950 0.441 1.188 0.000 0.000 -0.000 3/25920 730.0 0.938 0.435 1.173 0.000 0.000 -0.000 3/25920 740.0 0.925 0.429 1.157 0.000 0.000 -0.000 3/25920 750.0 0.913 0.423 1.142 0.000 0.000 -0.000 3/25920 760.0 0.901 0.418 1.128 0.000 0.000 -0.000 3/25920 770.0 0.890 0.412 1.114 0.000 0.000 -0.000 3/25920 780.0 0.879 0.407 1.100 0.000 0.000 -0.000 3/25920 790.0 0.868 0.402 1.086 0.000 0.000 -0.000 3/25920 800.0 0.857 0.397 1.073 0.000 0.000 -0.000 3/25920 810.0 0.847 0.392 1.060 0.000 0.000 -0.000 3/25920 820.0 0.837 0.387 1.048 0.000 0.000 -0.000 3/25920 830.0 0.827 0.383 1.035 0.000 0.000 -0.000 3/25920 840.0 0.817 0.378 1.023 0.000 0.000 -0.000 3/25920 850.0 0.808 0.374 1.012 0.000 0.000 -0.000 3/25920 860.0 0.799 0.370 1.000 0.000 0.000 -0.000 3/25920 870.0 0.790 0.365 0.989 0.000 0.000 -0.000 3/25920 880.0 0.781 0.361 0.978 0.000 0.000 -0.000 3/25920 890.0 0.772 0.357 0.967 0.000 0.000 -0.000 3/25920 900.0 0.764 0.353 0.957 0.000 0.000 -0.000 3/25920 910.0 0.755 0.349 0.946 0.000 0.000 -0.000 3/25920 920.0 0.747 0.346 0.936 0.000 0.000 -0.000 3/25920 930.0 0.739 0.342 0.927 0.000 0.000 -0.000 3/25920 940.0 0.732 0.338 0.917 0.000 0.000 -0.000 3/25920 950.0 0.724 0.335 0.907 0.000 0.000 -0.000 3/25920 960.0 0.717 0.331 0.898 0.000 0.000 -0.000 3/25920 970.0 0.709 0.328 0.889 0.000 0.000 -0.000 3/25920 980.0 0.702 0.325 0.880 0.000 0.000 -0.000 3/25920 990.0 0.695 0.321 0.872 0.000 0.000 -0.000 3/25920 1000.0 0.688 0.318 0.863 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m9410.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:10:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|