----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:30:48]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.498126381979597 0.000000000000000 0.000000000000000 b 0.000000000000000 4.047507229999999 0.000000000000000 c -1.239349458845868 0.000000000000000 12.389462065956522 Atomic positions (fractional): *1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 *2 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 *3 Sr 0.80026614459542 0.50000000000000 0.22379561642929 87.620 4 Sr 0.19973385540458 0.50000000000000 0.77620438357071 87.620 *5 Ga 0.19647889603223 0.50000000000000 0.32497115973914 69.723 *6 Ga 0.60013791570697 0.00000000000000 0.44593523472088 69.723 7 Ga 0.80352110396777 0.50000000000000 0.67502884026086 69.723 *8 Ga 0.39451770894746 0.50000000000000 0.21872526409248 69.723 9 Ga 0.60548229105255 0.50000000000000 0.78127473590751 69.723 *10 Ga 0.10838367155207 0.00000000000000 0.06338408484248 69.723 11 Ga 0.89161632844793 0.00000000000000 0.93661591515752 69.723 12 Ga 0.39986208429303 0.00000000000000 0.55406476527912 69.723 *13 As 0.05263810814236 0.00000000000000 0.25808161159481 74.922 *14 As 0.55211259839180 0.00000000000000 0.24537747388700 74.922 15 As 0.94736189185764 0.00000000000000 0.74191838840519 74.922 16 As 0.44788740160820 0.00000000000000 0.75462252611300 74.922 *17 As 0.24309272480886 0.50000000000000 0.52558781315485 74.922 *18 As 0.26009005032022 0.50000000000000 0.03336728031489 74.922 19 As 0.73990994967978 0.50000000000000 0.96663271968511 74.922 20 As 0.75690727519114 0.50000000000000 0.47441218684515 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.498126381979597 0.000000000000000 0.000000000000000 b 0.000000000000000 4.047507229999999 0.000000000000000 c -1.239349458845868 0.000000000000000 12.389462065956522 Atomic positions (fractional): *1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 *2 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 2 *3 Sr 0.80026614459542 0.50000000000000 0.22379561642929 87.620 > 3 4 Sr 0.19973385540458 0.50000000000000 0.77620438357071 87.620 > 4 *5 Ga 0.19647889603223 0.50000000000000 0.32497115973914 69.723 > 5 *6 Ga 0.60013791570697 0.00000000000000 0.44593523472088 69.723 > 6 7 Ga 0.80352110396777 0.50000000000000 0.67502884026086 69.723 > 7 *8 Ga 0.39451770894746 0.50000000000000 0.21872526409248 69.723 > 8 9 Ga 0.60548229105255 0.50000000000000 0.78127473590751 69.723 > 9 *10 Ga 0.10838367155207 0.00000000000000 0.06338408484248 69.723 > 10 11 Ga 0.89161632844793 0.00000000000000 0.93661591515752 69.723 > 11 12 Ga 0.39986208429303 0.00000000000000 0.55406476527912 69.723 > 12 *13 As 0.05263810814236 0.00000000000000 0.25808161159481 74.922 > 13 *14 As 0.55211259839180 0.00000000000000 0.24537747388700 74.922 > 14 15 As 0.94736189185764 0.00000000000000 0.74191838840519 74.922 > 15 16 As 0.44788740160820 0.00000000000000 0.75462252611300 74.922 > 16 *17 As 0.24309272480886 0.50000000000000 0.52558781315485 74.922 > 17 *18 As 0.26009005032022 0.50000000000000 0.03336728031489 74.922 > 18 19 As 0.73990994967978 0.50000000000000 0.96663271968511 74.922 > 19 20 As 0.75690727519114 0.50000000000000 0.47441218684515 74.922 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.996252763959195 0.000000000000000 0.000000000000000 b 0.000000000000000 12.142521689999997 0.000000000000000 c -1.239349458845868 0.000000000000000 12.389462065956522 Atomic positions (fractional): *1 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.25000000000000 0.33333333333333 0.00000000000000 87.620 > 1 4 Sr 0.75000000000000 0.33333333333333 0.00000000000000 87.620 > 1 5 Sr 0.25000000000000 0.66666666666667 0.00000000000000 87.620 > 1 6 Sr 0.75000000000000 0.66666666666667 0.00000000000000 87.620 > 1 *7 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 2 8 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 2 9 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 2 10 Sr 0.50000000000000 0.33333333333333 0.50000000000000 87.620 > 2 11 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 2 12 Sr 0.50000000000000 0.66666666666667 0.50000000000000 87.620 > 2 *13 Sr 0.40013307229771 0.16666666666667 0.22379561642929 87.620 > 3 14 Sr 0.90013307229771 0.16666666666667 0.22379561642929 87.620 > 3 15 Sr 0.40013307229771 0.50000000000000 0.22379561642929 87.620 > 3 16 Sr 0.90013307229771 0.50000000000000 0.22379561642929 87.620 > 3 17 Sr 0.40013307229771 0.83333333333333 0.22379561642929 87.620 > 3 18 Sr 0.90013307229771 0.83333333333333 0.22379561642929 87.620 > 3 19 Sr 0.09986692770229 0.16666666666667 0.77620438357071 87.620 > 4 20 Sr 0.59986692770229 0.16666666666667 0.77620438357071 87.620 > 4 21 Sr 0.09986692770229 0.50000000000000 0.77620438357071 87.620 > 4 22 Sr 0.59986692770229 0.50000000000000 0.77620438357071 87.620 > 4 23 Sr 0.09986692770229 0.83333333333333 0.77620438357071 87.620 > 4 24 Sr 0.59986692770229 0.83333333333333 0.77620438357071 87.620 > 4 *25 Ga 0.09823944801611 0.16666666666667 0.32497115973914 69.723 > 5 26 Ga 0.59823944801611 0.16666666666667 0.32497115973914 69.723 > 5 27 Ga 0.09823944801611 0.50000000000000 0.32497115973914 69.723 > 5 28 Ga 0.59823944801611 0.50000000000000 0.32497115973914 69.723 > 5 29 Ga 0.09823944801611 0.83333333333333 0.32497115973914 69.723 > 5 30 Ga 0.59823944801611 0.83333333333333 0.32497115973914 69.723 > 5 *31 Ga 0.30006895785348 0.00000000000000 0.44593523472088 69.723 > 6 32 Ga 0.80006895785348 0.00000000000000 0.44593523472088 69.723 > 6 33 Ga 0.30006895785348 0.33333333333333 0.44593523472088 69.723 > 6 34 Ga 0.80006895785348 0.33333333333333 0.44593523472088 69.723 > 6 35 Ga 0.30006895785348 0.66666666666667 0.44593523472088 69.723 > 6 36 Ga 0.80006895785348 0.66666666666667 0.44593523472088 69.723 > 6 37 Ga 0.40176055198389 0.16666666666667 0.67502884026086 69.723 > 7 38 Ga 0.90176055198389 0.16666666666667 0.67502884026086 69.723 > 7 39 Ga 0.40176055198389 0.50000000000000 0.67502884026086 69.723 > 7 40 Ga 0.90176055198389 0.50000000000000 0.67502884026086 69.723 > 7 41 Ga 0.40176055198389 0.83333333333333 0.67502884026086 69.723 > 7 42 Ga 0.90176055198389 0.83333333333333 0.67502884026086 69.723 > 7 *43 Ga 0.19725885447373 0.16666666666667 0.21872526409248 69.723 > 8 44 Ga 0.69725885447373 0.16666666666667 0.21872526409248 69.723 > 8 45 Ga 0.19725885447373 0.50000000000000 0.21872526409248 69.723 > 8 46 Ga 0.69725885447373 0.50000000000000 0.21872526409248 69.723 > 8 47 Ga 0.19725885447373 0.83333333333333 0.21872526409248 69.723 > 8 48 Ga 0.69725885447373 0.83333333333333 0.21872526409248 69.723 > 8 49 Ga 0.30274114552627 0.16666666666667 0.78127473590751 69.723 > 9 50 Ga 0.80274114552627 0.16666666666667 0.78127473590751 69.723 > 9 51 Ga 0.30274114552627 0.50000000000000 0.78127473590751 69.723 > 9 52 Ga 0.80274114552627 0.50000000000000 0.78127473590751 69.723 > 9 53 Ga 0.30274114552627 0.83333333333333 0.78127473590751 69.723 > 9 54 Ga 0.80274114552627 0.83333333333333 0.78127473590751 69.723 > 9 *55 Ga 0.05419183577604 0.00000000000000 0.06338408484248 69.723 > 10 56 Ga 0.55419183577604 0.00000000000000 0.06338408484248 69.723 > 10 57 Ga 0.05419183577604 0.33333333333333 0.06338408484248 69.723 > 10 58 Ga 0.55419183577604 0.33333333333333 0.06338408484248 69.723 > 10 59 Ga 0.05419183577604 0.66666666666667 0.06338408484248 69.723 > 10 60 Ga 0.55419183577604 0.66666666666667 0.06338408484248 69.723 > 10 61 Ga 0.44580816422397 0.00000000000000 0.93661591515752 69.723 > 11 62 Ga 0.94580816422397 0.00000000000000 0.93661591515752 69.723 > 11 63 Ga 0.44580816422397 0.33333333333333 0.93661591515752 69.723 > 11 64 Ga 0.94580816422397 0.33333333333333 0.93661591515752 69.723 > 11 65 Ga 0.44580816422397 0.66666666666667 0.93661591515752 69.723 > 11 66 Ga 0.94580816422397 0.66666666666667 0.93661591515752 69.723 > 11 67 Ga 0.19993104214652 0.00000000000000 0.55406476527912 69.723 > 12 68 Ga 0.69993104214652 0.00000000000000 0.55406476527912 69.723 > 12 69 Ga 0.19993104214652 0.33333333333333 0.55406476527912 69.723 > 12 70 Ga 0.69993104214652 0.33333333333333 0.55406476527912 69.723 > 12 71 Ga 0.19993104214652 0.66666666666667 0.55406476527912 69.723 > 12 72 Ga 0.69993104214652 0.66666666666667 0.55406476527912 69.723 > 12 *73 As 0.02631905407118 0.00000000000000 0.25808161159481 74.922 > 13 74 As 0.52631905407118 0.00000000000000 0.25808161159481 74.922 > 13 75 As 0.02631905407118 0.33333333333333 0.25808161159481 74.922 > 13 76 As 0.52631905407118 0.33333333333333 0.25808161159481 74.922 > 13 77 As 0.02631905407118 0.66666666666667 0.25808161159481 74.922 > 13 78 As 0.52631905407118 0.66666666666667 0.25808161159481 74.922 > 13 *79 As 0.27605629919590 0.00000000000000 0.24537747388700 74.922 > 14 80 As 0.77605629919590 0.00000000000000 0.24537747388700 74.922 > 14 81 As 0.27605629919590 0.33333333333333 0.24537747388700 74.922 > 14 82 As 0.77605629919590 0.33333333333333 0.24537747388700 74.922 > 14 83 As 0.27605629919590 0.66666666666667 0.24537747388700 74.922 > 14 84 As 0.77605629919590 0.66666666666667 0.24537747388700 74.922 > 14 85 As 0.47368094592882 0.00000000000000 0.74191838840519 74.922 > 15 86 As 0.97368094592882 0.00000000000000 0.74191838840519 74.922 > 15 87 As 0.47368094592882 0.33333333333333 0.74191838840519 74.922 > 15 88 As 0.97368094592882 0.33333333333333 0.74191838840519 74.922 > 15 89 As 0.47368094592882 0.66666666666667 0.74191838840519 74.922 > 15 90 As 0.97368094592882 0.66666666666667 0.74191838840519 74.922 > 15 91 As 0.22394370080410 0.00000000000000 0.75462252611300 74.922 > 16 92 As 0.72394370080410 0.00000000000000 0.75462252611300 74.922 > 16 93 As 0.22394370080410 0.33333333333333 0.75462252611300 74.922 > 16 94 As 0.72394370080410 0.33333333333333 0.75462252611300 74.922 > 16 95 As 0.22394370080410 0.66666666666667 0.75462252611300 74.922 > 16 96 As 0.72394370080410 0.66666666666667 0.75462252611300 74.922 > 16 *97 As 0.12154636240443 0.16666666666667 0.52558781315485 74.922 > 17 98 As 0.62154636240443 0.16666666666667 0.52558781315485 74.922 > 17 99 As 0.12154636240443 0.50000000000000 0.52558781315485 74.922 > 17 100 As 0.62154636240443 0.50000000000000 0.52558781315485 74.922 > 17 101 As 0.12154636240443 0.83333333333333 0.52558781315485 74.922 > 17 102 As 0.62154636240443 0.83333333333333 0.52558781315485 74.922 > 17 *103 As 0.13004502516011 0.16666666666667 0.03336728031489 74.922 > 18 104 As 0.63004502516011 0.16666666666667 0.03336728031489 74.922 > 18 105 As 0.13004502516011 0.50000000000000 0.03336728031489 74.922 > 18 106 As 0.63004502516011 0.50000000000000 0.03336728031489 74.922 > 18 107 As 0.13004502516011 0.83333333333333 0.03336728031489 74.922 > 18 108 As 0.63004502516011 0.83333333333333 0.03336728031489 74.922 > 18 109 As 0.36995497483989 0.16666666666667 0.96663271968511 74.922 > 19 110 As 0.86995497483989 0.16666666666667 0.96663271968511 74.922 > 19 111 As 0.36995497483989 0.50000000000000 0.96663271968511 74.922 > 19 112 As 0.86995497483989 0.50000000000000 0.96663271968511 74.922 > 19 113 As 0.36995497483989 0.83333333333333 0.96663271968511 74.922 > 19 114 As 0.86995497483989 0.83333333333333 0.96663271968511 74.922 > 19 115 As 0.37845363759557 0.16666666666667 0.47441218684515 74.922 > 20 116 As 0.87845363759557 0.16666666666667 0.47441218684515 74.922 > 20 117 As 0.37845363759557 0.50000000000000 0.47441218684515 74.922 > 20 118 As 0.87845363759557 0.50000000000000 0.47441218684515 74.922 > 20 119 As 0.37845363759557 0.83333333333333 0.47441218684515 74.922 > 20 120 As 0.87845363759557 0.83333333333333 0.47441218684515 74.922 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 75.3024740 0.0000000 -6.7945062 0.0000000 16.9393485 0.0000000 -6.8054954 0.0000000 16.8845819 -------------------------- Born effective charges -------------------------- 1 Sr 2.8378354 0.0000000 -2.0043897 0.0000000 2.3654414 0.0000000 -1.0978964 0.0000000 2.9416869 2 Sr 4.1524148 0.0000000 -0.2531925 0.0000000 2.2871652 0.0000000 -0.7868949 0.0000000 2.3684839 3 Sr 3.6548553 0.0000000 -0.1099714 0.0000000 2.4388059 0.0000000 -0.4406696 0.0000000 3.1569981 4 Sr 3.6548553 0.0000000 -0.1099714 0.0000000 2.4388059 0.0000000 -0.4406696 0.0000000 3.1569981 5 Ga -0.1939848 0.0000000 1.0400526 0.0000000 2.2663602 0.0000000 0.1729530 0.0000000 1.7920293 6 Ga 1.1398333 0.0000000 0.6752309 0.0000000 2.4288685 0.0000000 0.5591215 0.0000000 1.9013129 7 Ga -0.1939848 0.0000000 1.0400526 0.0000000 2.2663602 0.0000000 0.1729530 0.0000000 1.7920293 8 Ga 0.6548083 0.0000000 -0.2332438 0.0000000 2.3907826 0.0000000 0.7972247 0.0000000 1.3544187 9 Ga 0.6548083 0.0000000 -0.2332438 0.0000000 2.3907826 0.0000000 0.7972247 0.0000000 1.3544187 10 Ga 1.2879948 0.0000000 1.3871372 0.0000000 2.1230004 0.0000000 0.4257434 0.0000000 1.5206524 11 Ga 1.2879948 0.0000000 1.3871372 0.0000000 2.1230004 0.0000000 0.4257434 0.0000000 1.5206524 12 Ga 1.1398333 0.0000000 0.6752309 0.0000000 2.4288685 0.0000000 0.5591215 0.0000000 1.9013129 13 As -2.1150847 0.0000000 -1.9462373 0.0000000 -3.4123896 0.0000000 0.1318593 0.0000000 -2.9148874 14 As -3.1393234 0.0000000 -0.2826465 0.0000000 -3.5339600 0.0000000 -0.2282429 0.0000000 -3.0624340 15 As -2.1150847 0.0000000 -1.9462373 0.0000000 -3.4123896 0.0000000 0.1318593 0.0000000 -2.9148874 16 As -3.1393234 0.0000000 -0.2826465 0.0000000 -3.5339600 0.0000000 -0.2282429 0.0000000 -3.0624340 17 As -1.8974571 0.0000000 -0.8025830 0.0000000 -3.5251334 0.0000000 0.0009932 0.0000000 -3.1520266 18 As -2.8867668 0.0000000 1.4010525 0.0000000 -3.5026378 0.0000000 -0.4765870 0.0000000 -3.2511489 19 As -2.8867668 0.0000000 1.4010525 0.0000000 -3.5026378 0.0000000 -0.4765870 0.0000000 -3.2511489 20 As -1.8974571 0.0000000 -0.8025830 0.0000000 -3.5251334 0.0000000 0.0009932 0.0000000 -3.1520266 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2926 Number of blocks in projector: 2926 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 804 / 804 (1) 287 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 398 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 398 Use standard eigh solver. Tree of FC basis block matrices: - (2926, 2872), data: False |-- (398, 398), data: True |-- (398, 398), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (804, 783), data: False |-- (804, 17), data: (804, 38) @ (38, 17) |-- (304, 287), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.763 Solver_block: 200 / 640 - Time: 0.668 Solver_block: 300 / 640 - Time: 0.672 Solver_block: 400 / 640 - Time: 0.672 Solver_block: 500 / 640 - Time: 0.667 Solver_block: 600 / 640 - Time: 0.670 Solver_block: 640 / 640 - Time: 0.353 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.583 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2926 Number of blocks in projector: 2926 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: 804 Use submatrix version of eigh solver. (1) Block: 500 / 804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 804 / 804 (1) 287 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 398 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 398 Use standard eigh solver. Tree of FC basis block matrices: - (2926, 2872), data: False |-- (398, 398), data: True |-- (398, 398), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (442, 431), data: True |-- (804, 783), data: False |-- (804, 17), data: (804, 38) @ (38, 17) |-- (304, 287), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) 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 2026-01-09 04:31:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:31:23]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.498126381979597 0.000000000000000 0.000000000000000 b 0.000000000000000 4.047507229999999 0.000000000000000 c -1.239349458845868 0.000000000000000 12.389462065956522 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 2 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 3 Sr 0.80026614459542 0.50000000000000 0.22379561642929 87.620 4 Sr 0.19973385540458 0.50000000000000 0.77620438357071 87.620 5 Ga 0.19647889603223 0.50000000000000 0.32497115973914 69.723 6 Ga 0.60013791570697 0.00000000000000 0.44593523472088 69.723 7 Ga 0.80352110396777 0.50000000000000 0.67502884026086 69.723 8 Ga 0.39451770894746 0.50000000000000 0.21872526409248 69.723 9 Ga 0.60548229105255 0.50000000000000 0.78127473590751 69.723 10 Ga 0.10838367155207 0.00000000000000 0.06338408484248 69.723 11 Ga 0.89161632844793 0.00000000000000 0.93661591515752 69.723 12 Ga 0.39986208429303 0.00000000000000 0.55406476527912 69.723 13 As 0.05263810814236 0.00000000000000 0.25808161159481 74.922 14 As 0.55211259839180 0.00000000000000 0.24537747388700 74.922 15 As 0.94736189185764 0.00000000000000 0.74191838840519 74.922 16 As 0.44788740160820 0.00000000000000 0.75462252611300 74.922 17 As 0.24309272480886 0.50000000000000 0.52558781315485 74.922 18 As 0.26009005032022 0.50000000000000 0.03336728031489 74.922 19 As 0.73990994967978 0.50000000000000 0.96663271968511 74.922 20 As 0.75690727519114 0.50000000000000 0.47441218684515 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.996252763959195 0.000000000000000 0.000000000000000 b 0.000000000000000 12.142521689999997 0.000000000000000 c -1.239349458845868 0.000000000000000 12.389462065956522 Atomic positions (fractional): 1 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.25000000000000 0.33333333333333 0.00000000000000 87.620 > 1 4 Sr 0.75000000000000 0.33333333333333 0.00000000000000 87.620 > 1 5 Sr 0.25000000000000 0.66666666666667 0.00000000000000 87.620 > 1 6 Sr 0.75000000000000 0.66666666666667 0.00000000000000 87.620 > 1 7 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 7 8 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 7 9 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 7 10 Sr 0.50000000000000 0.33333333333333 0.50000000000000 87.620 > 7 11 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 7 12 Sr 0.50000000000000 0.66666666666667 0.50000000000000 87.620 > 7 13 Sr 0.40013307229771 0.16666666666667 0.22379561642929 87.620 > 13 14 Sr 0.90013307229771 0.16666666666667 0.22379561642929 87.620 > 13 15 Sr 0.40013307229771 0.50000000000000 0.22379561642929 87.620 > 13 16 Sr 0.90013307229771 0.50000000000000 0.22379561642929 87.620 > 13 17 Sr 0.40013307229771 0.83333333333333 0.22379561642929 87.620 > 13 18 Sr 0.90013307229771 0.83333333333333 0.22379561642929 87.620 > 13 19 Sr 0.09986692770229 0.16666666666667 0.77620438357071 87.620 > 19 20 Sr 0.59986692770229 0.16666666666667 0.77620438357071 87.620 > 19 21 Sr 0.09986692770229 0.50000000000000 0.77620438357071 87.620 > 19 22 Sr 0.59986692770229 0.50000000000000 0.77620438357071 87.620 > 19 23 Sr 0.09986692770229 0.83333333333333 0.77620438357071 87.620 > 19 24 Sr 0.59986692770229 0.83333333333333 0.77620438357071 87.620 > 19 25 Ga 0.09823944801611 0.16666666666667 0.32497115973914 69.723 > 25 26 Ga 0.59823944801611 0.16666666666667 0.32497115973914 69.723 > 25 27 Ga 0.09823944801611 0.50000000000000 0.32497115973914 69.723 > 25 28 Ga 0.59823944801611 0.50000000000000 0.32497115973914 69.723 > 25 29 Ga 0.09823944801611 0.83333333333333 0.32497115973914 69.723 > 25 30 Ga 0.59823944801611 0.83333333333333 0.32497115973914 69.723 > 25 31 Ga 0.30006895785348 0.00000000000000 0.44593523472088 69.723 > 31 32 Ga 0.80006895785348 0.00000000000000 0.44593523472088 69.723 > 31 33 Ga 0.30006895785348 0.33333333333333 0.44593523472088 69.723 > 31 34 Ga 0.80006895785348 0.33333333333333 0.44593523472088 69.723 > 31 35 Ga 0.30006895785348 0.66666666666667 0.44593523472088 69.723 > 31 36 Ga 0.80006895785348 0.66666666666667 0.44593523472088 69.723 > 31 37 Ga 0.40176055198389 0.16666666666667 0.67502884026086 69.723 > 37 38 Ga 0.90176055198389 0.16666666666667 0.67502884026086 69.723 > 37 39 Ga 0.40176055198389 0.50000000000000 0.67502884026086 69.723 > 37 40 Ga 0.90176055198389 0.50000000000000 0.67502884026086 69.723 > 37 41 Ga 0.40176055198389 0.83333333333333 0.67502884026086 69.723 > 37 42 Ga 0.90176055198389 0.83333333333333 0.67502884026086 69.723 > 37 43 Ga 0.19725885447373 0.16666666666667 0.21872526409248 69.723 > 43 44 Ga 0.69725885447373 0.16666666666667 0.21872526409248 69.723 > 43 45 Ga 0.19725885447373 0.50000000000000 0.21872526409248 69.723 > 43 46 Ga 0.69725885447373 0.50000000000000 0.21872526409248 69.723 > 43 47 Ga 0.19725885447373 0.83333333333333 0.21872526409248 69.723 > 43 48 Ga 0.69725885447373 0.83333333333333 0.21872526409248 69.723 > 43 49 Ga 0.30274114552627 0.16666666666667 0.78127473590751 69.723 > 49 50 Ga 0.80274114552627 0.16666666666667 0.78127473590751 69.723 > 49 51 Ga 0.30274114552627 0.50000000000000 0.78127473590751 69.723 > 49 52 Ga 0.80274114552627 0.50000000000000 0.78127473590751 69.723 > 49 53 Ga 0.30274114552627 0.83333333333333 0.78127473590751 69.723 > 49 54 Ga 0.80274114552627 0.83333333333333 0.78127473590751 69.723 > 49 55 Ga 0.05419183577604 0.00000000000000 0.06338408484248 69.723 > 55 56 Ga 0.55419183577604 0.00000000000000 0.06338408484248 69.723 > 55 57 Ga 0.05419183577604 0.33333333333333 0.06338408484248 69.723 > 55 58 Ga 0.55419183577604 0.33333333333333 0.06338408484248 69.723 > 55 59 Ga 0.05419183577604 0.66666666666667 0.06338408484248 69.723 > 55 60 Ga 0.55419183577604 0.66666666666667 0.06338408484248 69.723 > 55 61 Ga 0.44580816422397 0.00000000000000 0.93661591515752 69.723 > 61 62 Ga 0.94580816422397 0.00000000000000 0.93661591515752 69.723 > 61 63 Ga 0.44580816422397 0.33333333333333 0.93661591515752 69.723 > 61 64 Ga 0.94580816422397 0.33333333333333 0.93661591515752 69.723 > 61 65 Ga 0.44580816422397 0.66666666666667 0.93661591515752 69.723 > 61 66 Ga 0.94580816422397 0.66666666666667 0.93661591515752 69.723 > 61 67 Ga 0.19993104214652 0.00000000000000 0.55406476527912 69.723 > 67 68 Ga 0.69993104214652 0.00000000000000 0.55406476527912 69.723 > 67 69 Ga 0.19993104214652 0.33333333333333 0.55406476527912 69.723 > 67 70 Ga 0.69993104214652 0.33333333333333 0.55406476527912 69.723 > 67 71 Ga 0.19993104214652 0.66666666666667 0.55406476527912 69.723 > 67 72 Ga 0.69993104214652 0.66666666666667 0.55406476527912 69.723 > 67 73 As 0.02631905407118 0.00000000000000 0.25808161159481 74.922 > 73 74 As 0.52631905407118 0.00000000000000 0.25808161159481 74.922 > 73 75 As 0.02631905407118 0.33333333333333 0.25808161159481 74.922 > 73 76 As 0.52631905407118 0.33333333333333 0.25808161159481 74.922 > 73 77 As 0.02631905407118 0.66666666666667 0.25808161159481 74.922 > 73 78 As 0.52631905407118 0.66666666666667 0.25808161159481 74.922 > 73 79 As 0.27605629919590 0.00000000000000 0.24537747388700 74.922 > 79 80 As 0.77605629919590 0.00000000000000 0.24537747388700 74.922 > 79 81 As 0.27605629919590 0.33333333333333 0.24537747388700 74.922 > 79 82 As 0.77605629919590 0.33333333333333 0.24537747388700 74.922 > 79 83 As 0.27605629919590 0.66666666666667 0.24537747388700 74.922 > 79 84 As 0.77605629919590 0.66666666666667 0.24537747388700 74.922 > 79 85 As 0.47368094592882 0.00000000000000 0.74191838840519 74.922 > 85 86 As 0.97368094592882 0.00000000000000 0.74191838840519 74.922 > 85 87 As 0.47368094592882 0.33333333333333 0.74191838840519 74.922 > 85 88 As 0.97368094592882 0.33333333333333 0.74191838840519 74.922 > 85 89 As 0.47368094592882 0.66666666666667 0.74191838840519 74.922 > 85 90 As 0.97368094592882 0.66666666666667 0.74191838840519 74.922 > 85 91 As 0.22394370080410 0.00000000000000 0.75462252611300 74.922 > 91 92 As 0.72394370080410 0.00000000000000 0.75462252611300 74.922 > 91 93 As 0.22394370080410 0.33333333333333 0.75462252611300 74.922 > 91 94 As 0.72394370080410 0.33333333333333 0.75462252611300 74.922 > 91 95 As 0.22394370080410 0.66666666666667 0.75462252611300 74.922 > 91 96 As 0.72394370080410 0.66666666666667 0.75462252611300 74.922 > 91 97 As 0.12154636240443 0.16666666666667 0.52558781315485 74.922 > 97 98 As 0.62154636240443 0.16666666666667 0.52558781315485 74.922 > 97 99 As 0.12154636240443 0.50000000000000 0.52558781315485 74.922 > 97 100 As 0.62154636240443 0.50000000000000 0.52558781315485 74.922 > 97 101 As 0.12154636240443 0.83333333333333 0.52558781315485 74.922 > 97 102 As 0.62154636240443 0.83333333333333 0.52558781315485 74.922 > 97 103 As 0.13004502516011 0.16666666666667 0.03336728031489 74.922 > 103 104 As 0.63004502516011 0.16666666666667 0.03336728031489 74.922 > 103 105 As 0.13004502516011 0.50000000000000 0.03336728031489 74.922 > 103 106 As 0.63004502516011 0.50000000000000 0.03336728031489 74.922 > 103 107 As 0.13004502516011 0.83333333333333 0.03336728031489 74.922 > 103 108 As 0.63004502516011 0.83333333333333 0.03336728031489 74.922 > 103 109 As 0.36995497483989 0.16666666666667 0.96663271968511 74.922 > 109 110 As 0.86995497483989 0.16666666666667 0.96663271968511 74.922 > 109 111 As 0.36995497483989 0.50000000000000 0.96663271968511 74.922 > 109 112 As 0.86995497483989 0.50000000000000 0.96663271968511 74.922 > 109 113 As 0.36995497483989 0.83333333333333 0.96663271968511 74.922 > 109 114 As 0.86995497483989 0.83333333333333 0.96663271968511 74.922 > 109 115 As 0.37845363759557 0.16666666666667 0.47441218684515 74.922 > 115 116 As 0.87845363759557 0.16666666666667 0.47441218684515 74.922 > 115 117 As 0.37845363759557 0.50000000000000 0.47441218684515 74.922 > 115 118 As 0.87845363759557 0.50000000000000 0.47441218684515 74.922 > 115 119 As 0.37845363759557 0.83333333333333 0.47441218684515 74.922 > 115 120 As 0.87845363759557 0.83333333333333 0.47441218684515 74.922 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 75.3024740 0.0000000 -6.7945062 0.0000000 16.9393485 0.0000000 -6.8054954 0.0000000 16.8845819 -------------------------- Born effective charges -------------------------- 1 Sr 2.8378354 0.0000000 -2.0043897 0.0000000 2.3654414 0.0000000 -1.0978964 0.0000000 2.9416869 2 Sr 4.1524148 0.0000000 -0.2531925 0.0000000 2.2871652 0.0000000 -0.7868949 0.0000000 2.3684839 3 Sr 3.6548553 0.0000000 -0.1099714 0.0000000 2.4388059 0.0000000 -0.4406696 0.0000000 3.1569981 4 Sr 3.6548553 0.0000000 -0.1099714 0.0000000 2.4388059 0.0000000 -0.4406696 0.0000000 3.1569981 5 Ga -0.1939848 0.0000000 1.0400526 0.0000000 2.2663602 0.0000000 0.1729530 0.0000000 1.7920293 6 Ga 1.1398333 0.0000000 0.6752309 0.0000000 2.4288685 0.0000000 0.5591215 0.0000000 1.9013129 7 Ga -0.1939848 0.0000000 1.0400526 0.0000000 2.2663602 0.0000000 0.1729530 0.0000000 1.7920293 8 Ga 0.6548083 0.0000000 -0.2332438 0.0000000 2.3907826 0.0000000 0.7972247 0.0000000 1.3544187 9 Ga 0.6548083 0.0000000 -0.2332438 0.0000000 2.3907826 0.0000000 0.7972247 0.0000000 1.3544187 10 Ga 1.2879948 0.0000000 1.3871372 0.0000000 2.1230004 0.0000000 0.4257434 0.0000000 1.5206524 11 Ga 1.2879948 0.0000000 1.3871372 0.0000000 2.1230004 0.0000000 0.4257434 0.0000000 1.5206524 12 Ga 1.1398333 0.0000000 0.6752309 0.0000000 2.4288685 0.0000000 0.5591215 0.0000000 1.9013129 13 As -2.1150847 0.0000000 -1.9462373 0.0000000 -3.4123896 0.0000000 0.1318593 0.0000000 -2.9148874 14 As -3.1393234 0.0000000 -0.2826465 0.0000000 -3.5339600 0.0000000 -0.2282429 0.0000000 -3.0624340 15 As -2.1150847 0.0000000 -1.9462373 0.0000000 -3.4123896 0.0000000 0.1318593 0.0000000 -2.9148874 16 As -3.1393234 0.0000000 -0.2826465 0.0000000 -3.5339600 0.0000000 -0.2282429 0.0000000 -3.0624340 17 As -1.8974571 0.0000000 -0.8025830 0.0000000 -3.5251334 0.0000000 0.0009932 0.0000000 -3.1520266 18 As -2.8867668 0.0000000 1.4010525 0.0000000 -3.5026378 0.0000000 -0.4765870 0.0000000 -3.2511489 19 As -2.8867668 0.0000000 1.4010525 0.0000000 -3.5026378 0.0000000 -0.4765870 0.0000000 -3.2511489 20 As -1.8974571 0.0000000 -0.8025830 0.0000000 -3.5251334 0.0000000 0.0009932 0.0000000 -3.1520266 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 31, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 43, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 55, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0010 0.0000 0.0100] [ 0.0010 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 103, 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] [-0.0010 0.0000 0.0100] [ 0.0010 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 2026-01-09 04:32:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:32:01]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/m (10) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.498126381979597 0.000000000000000 0.000000000000000 b 0.000000000000000 4.047507229999999 0.000000000000000 c -1.239349458845868 0.000000000000000 12.389462065956522 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 2 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 3 Sr 0.80026614459542 0.50000000000000 0.22379561642929 87.620 4 Sr 0.19973385540458 0.50000000000000 0.77620438357071 87.620 5 Ga 0.19647889603223 0.50000000000000 0.32497115973914 69.723 6 Ga 0.60013791570697 0.00000000000000 0.44593523472088 69.723 7 Ga 0.80352110396777 0.50000000000000 0.67502884026086 69.723 8 Ga 0.39451770894746 0.50000000000000 0.21872526409248 69.723 9 Ga 0.60548229105255 0.50000000000000 0.78127473590751 69.723 10 Ga 0.10838367155207 0.00000000000000 0.06338408484248 69.723 11 Ga 0.89161632844793 0.00000000000000 0.93661591515752 69.723 12 Ga 0.39986208429303 0.00000000000000 0.55406476527912 69.723 13 As 0.05263810814236 0.00000000000000 0.25808161159481 74.922 14 As 0.55211259839180 0.00000000000000 0.24537747388700 74.922 15 As 0.94736189185764 0.00000000000000 0.74191838840519 74.922 16 As 0.44788740160820 0.00000000000000 0.75462252611300 74.922 17 As 0.24309272480886 0.50000000000000 0.52558781315485 74.922 18 As 0.26009005032022 0.50000000000000 0.03336728031489 74.922 19 As 0.73990994967978 0.50000000000000 0.96663271968511 74.922 20 As 0.75690727519114 0.50000000000000 0.47441218684515 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.996252763959195 0.000000000000000 0.000000000000000 b 0.000000000000000 12.142521689999997 0.000000000000000 c -1.239349458845868 0.000000000000000 12.389462065956522 Atomic positions (fractional): 1 Sr 0.25000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.75000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.25000000000000 0.33333333333333 0.00000000000000 87.620 > 1 4 Sr 0.75000000000000 0.33333333333333 0.00000000000000 87.620 > 1 5 Sr 0.25000000000000 0.66666666666667 0.00000000000000 87.620 > 1 6 Sr 0.75000000000000 0.66666666666667 0.00000000000000 87.620 > 1 7 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 7 8 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 7 9 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 7 10 Sr 0.50000000000000 0.33333333333333 0.50000000000000 87.620 > 7 11 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 7 12 Sr 0.50000000000000 0.66666666666667 0.50000000000000 87.620 > 7 13 Sr 0.40013307229771 0.16666666666667 0.22379561642929 87.620 > 13 14 Sr 0.90013307229771 0.16666666666667 0.22379561642929 87.620 > 13 15 Sr 0.40013307229771 0.50000000000000 0.22379561642929 87.620 > 13 16 Sr 0.90013307229771 0.50000000000000 0.22379561642929 87.620 > 13 17 Sr 0.40013307229771 0.83333333333333 0.22379561642929 87.620 > 13 18 Sr 0.90013307229771 0.83333333333333 0.22379561642929 87.620 > 13 19 Sr 0.09986692770229 0.16666666666667 0.77620438357071 87.620 > 19 20 Sr 0.59986692770229 0.16666666666667 0.77620438357071 87.620 > 19 21 Sr 0.09986692770229 0.50000000000000 0.77620438357071 87.620 > 19 22 Sr 0.59986692770229 0.50000000000000 0.77620438357071 87.620 > 19 23 Sr 0.09986692770229 0.83333333333333 0.77620438357071 87.620 > 19 24 Sr 0.59986692770229 0.83333333333333 0.77620438357071 87.620 > 19 25 Ga 0.09823944801611 0.16666666666667 0.32497115973914 69.723 > 25 26 Ga 0.59823944801611 0.16666666666667 0.32497115973914 69.723 > 25 27 Ga 0.09823944801611 0.50000000000000 0.32497115973914 69.723 > 25 28 Ga 0.59823944801611 0.50000000000000 0.32497115973914 69.723 > 25 29 Ga 0.09823944801611 0.83333333333333 0.32497115973914 69.723 > 25 30 Ga 0.59823944801611 0.83333333333333 0.32497115973914 69.723 > 25 31 Ga 0.30006895785348 0.00000000000000 0.44593523472088 69.723 > 31 32 Ga 0.80006895785348 0.00000000000000 0.44593523472088 69.723 > 31 33 Ga 0.30006895785348 0.33333333333333 0.44593523472088 69.723 > 31 34 Ga 0.80006895785348 0.33333333333333 0.44593523472088 69.723 > 31 35 Ga 0.30006895785348 0.66666666666667 0.44593523472088 69.723 > 31 36 Ga 0.80006895785348 0.66666666666667 0.44593523472088 69.723 > 31 37 Ga 0.40176055198389 0.16666666666667 0.67502884026086 69.723 > 37 38 Ga 0.90176055198389 0.16666666666667 0.67502884026086 69.723 > 37 39 Ga 0.40176055198389 0.50000000000000 0.67502884026086 69.723 > 37 40 Ga 0.90176055198389 0.50000000000000 0.67502884026086 69.723 > 37 41 Ga 0.40176055198389 0.83333333333333 0.67502884026086 69.723 > 37 42 Ga 0.90176055198389 0.83333333333333 0.67502884026086 69.723 > 37 43 Ga 0.19725885447373 0.16666666666667 0.21872526409248 69.723 > 43 44 Ga 0.69725885447373 0.16666666666667 0.21872526409248 69.723 > 43 45 Ga 0.19725885447373 0.50000000000000 0.21872526409248 69.723 > 43 46 Ga 0.69725885447373 0.50000000000000 0.21872526409248 69.723 > 43 47 Ga 0.19725885447373 0.83333333333333 0.21872526409248 69.723 > 43 48 Ga 0.69725885447373 0.83333333333333 0.21872526409248 69.723 > 43 49 Ga 0.30274114552627 0.16666666666667 0.78127473590751 69.723 > 49 50 Ga 0.80274114552627 0.16666666666667 0.78127473590751 69.723 > 49 51 Ga 0.30274114552627 0.50000000000000 0.78127473590751 69.723 > 49 52 Ga 0.80274114552627 0.50000000000000 0.78127473590751 69.723 > 49 53 Ga 0.30274114552627 0.83333333333333 0.78127473590751 69.723 > 49 54 Ga 0.80274114552627 0.83333333333333 0.78127473590751 69.723 > 49 55 Ga 0.05419183577604 0.00000000000000 0.06338408484248 69.723 > 55 56 Ga 0.55419183577604 0.00000000000000 0.06338408484248 69.723 > 55 57 Ga 0.05419183577604 0.33333333333333 0.06338408484248 69.723 > 55 58 Ga 0.55419183577604 0.33333333333333 0.06338408484248 69.723 > 55 59 Ga 0.05419183577604 0.66666666666667 0.06338408484248 69.723 > 55 60 Ga 0.55419183577604 0.66666666666667 0.06338408484248 69.723 > 55 61 Ga 0.44580816422397 0.00000000000000 0.93661591515752 69.723 > 61 62 Ga 0.94580816422397 0.00000000000000 0.93661591515752 69.723 > 61 63 Ga 0.44580816422397 0.33333333333333 0.93661591515752 69.723 > 61 64 Ga 0.94580816422397 0.33333333333333 0.93661591515752 69.723 > 61 65 Ga 0.44580816422397 0.66666666666667 0.93661591515752 69.723 > 61 66 Ga 0.94580816422397 0.66666666666667 0.93661591515752 69.723 > 61 67 Ga 0.19993104214652 0.00000000000000 0.55406476527912 69.723 > 67 68 Ga 0.69993104214652 0.00000000000000 0.55406476527912 69.723 > 67 69 Ga 0.19993104214652 0.33333333333333 0.55406476527912 69.723 > 67 70 Ga 0.69993104214652 0.33333333333333 0.55406476527912 69.723 > 67 71 Ga 0.19993104214652 0.66666666666667 0.55406476527912 69.723 > 67 72 Ga 0.69993104214652 0.66666666666667 0.55406476527912 69.723 > 67 73 As 0.02631905407118 0.00000000000000 0.25808161159481 74.922 > 73 74 As 0.52631905407118 0.00000000000000 0.25808161159481 74.922 > 73 75 As 0.02631905407118 0.33333333333333 0.25808161159481 74.922 > 73 76 As 0.52631905407118 0.33333333333333 0.25808161159481 74.922 > 73 77 As 0.02631905407118 0.66666666666667 0.25808161159481 74.922 > 73 78 As 0.52631905407118 0.66666666666667 0.25808161159481 74.922 > 73 79 As 0.27605629919590 0.00000000000000 0.24537747388700 74.922 > 79 80 As 0.77605629919590 0.00000000000000 0.24537747388700 74.922 > 79 81 As 0.27605629919590 0.33333333333333 0.24537747388700 74.922 > 79 82 As 0.77605629919590 0.33333333333333 0.24537747388700 74.922 > 79 83 As 0.27605629919590 0.66666666666667 0.24537747388700 74.922 > 79 84 As 0.77605629919590 0.66666666666667 0.24537747388700 74.922 > 79 85 As 0.47368094592882 0.00000000000000 0.74191838840519 74.922 > 85 86 As 0.97368094592882 0.00000000000000 0.74191838840519 74.922 > 85 87 As 0.47368094592882 0.33333333333333 0.74191838840519 74.922 > 85 88 As 0.97368094592882 0.33333333333333 0.74191838840519 74.922 > 85 89 As 0.47368094592882 0.66666666666667 0.74191838840519 74.922 > 85 90 As 0.97368094592882 0.66666666666667 0.74191838840519 74.922 > 85 91 As 0.22394370080410 0.00000000000000 0.75462252611300 74.922 > 91 92 As 0.72394370080410 0.00000000000000 0.75462252611300 74.922 > 91 93 As 0.22394370080410 0.33333333333333 0.75462252611300 74.922 > 91 94 As 0.72394370080410 0.33333333333333 0.75462252611300 74.922 > 91 95 As 0.22394370080410 0.66666666666667 0.75462252611300 74.922 > 91 96 As 0.72394370080410 0.66666666666667 0.75462252611300 74.922 > 91 97 As 0.12154636240443 0.16666666666667 0.52558781315485 74.922 > 97 98 As 0.62154636240443 0.16666666666667 0.52558781315485 74.922 > 97 99 As 0.12154636240443 0.50000000000000 0.52558781315485 74.922 > 97 100 As 0.62154636240443 0.50000000000000 0.52558781315485 74.922 > 97 101 As 0.12154636240443 0.83333333333333 0.52558781315485 74.922 > 97 102 As 0.62154636240443 0.83333333333333 0.52558781315485 74.922 > 97 103 As 0.13004502516011 0.16666666666667 0.03336728031489 74.922 > 103 104 As 0.63004502516011 0.16666666666667 0.03336728031489 74.922 > 103 105 As 0.13004502516011 0.50000000000000 0.03336728031489 74.922 > 103 106 As 0.63004502516011 0.50000000000000 0.03336728031489 74.922 > 103 107 As 0.13004502516011 0.83333333333333 0.03336728031489 74.922 > 103 108 As 0.63004502516011 0.83333333333333 0.03336728031489 74.922 > 103 109 As 0.36995497483989 0.16666666666667 0.96663271968511 74.922 > 109 110 As 0.86995497483989 0.16666666666667 0.96663271968511 74.922 > 109 111 As 0.36995497483989 0.50000000000000 0.96663271968511 74.922 > 109 112 As 0.86995497483989 0.50000000000000 0.96663271968511 74.922 > 109 113 As 0.36995497483989 0.83333333333333 0.96663271968511 74.922 > 109 114 As 0.86995497483989 0.83333333333333 0.96663271968511 74.922 > 109 115 As 0.37845363759557 0.16666666666667 0.47441218684515 74.922 > 115 116 As 0.87845363759557 0.16666666666667 0.47441218684515 74.922 > 115 117 As 0.37845363759557 0.50000000000000 0.47441218684515 74.922 > 115 118 As 0.87845363759557 0.50000000000000 0.47441218684515 74.922 > 115 119 As 0.37845363759557 0.83333333333333 0.47441218684515 74.922 > 115 120 As 0.87845363759557 0.83333333333333 0.47441218684515 74.922 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 75.3024740 0.0000000 -6.7945062 0.0000000 16.9393485 0.0000000 -6.8054954 0.0000000 16.8845819 -------------------------- Born effective charges -------------------------- 1 Sr 2.8378354 0.0000000 -2.0043897 0.0000000 2.3654414 0.0000000 -1.0978964 0.0000000 2.9416869 2 Sr 4.1524148 0.0000000 -0.2531925 0.0000000 2.2871652 0.0000000 -0.7868949 0.0000000 2.3684839 3 Sr 3.6548553 0.0000000 -0.1099714 0.0000000 2.4388059 0.0000000 -0.4406696 0.0000000 3.1569981 4 Sr 3.6548553 0.0000000 -0.1099714 0.0000000 2.4388059 0.0000000 -0.4406696 0.0000000 3.1569981 5 Ga -0.1939848 0.0000000 1.0400526 0.0000000 2.2663602 0.0000000 0.1729530 0.0000000 1.7920293 6 Ga 1.1398333 0.0000000 0.6752309 0.0000000 2.4288685 0.0000000 0.5591215 0.0000000 1.9013129 7 Ga -0.1939848 0.0000000 1.0400526 0.0000000 2.2663602 0.0000000 0.1729530 0.0000000 1.7920293 8 Ga 0.6548083 0.0000000 -0.2332438 0.0000000 2.3907826 0.0000000 0.7972247 0.0000000 1.3544187 9 Ga 0.6548083 0.0000000 -0.2332438 0.0000000 2.3907826 0.0000000 0.7972247 0.0000000 1.3544187 10 Ga 1.2879948 0.0000000 1.3871372 0.0000000 2.1230004 0.0000000 0.4257434 0.0000000 1.5206524 11 Ga 1.2879948 0.0000000 1.3871372 0.0000000 2.1230004 0.0000000 0.4257434 0.0000000 1.5206524 12 Ga 1.1398333 0.0000000 0.6752309 0.0000000 2.4288685 0.0000000 0.5591215 0.0000000 1.9013129 13 As -2.1150847 0.0000000 -1.9462373 0.0000000 -3.4123896 0.0000000 0.1318593 0.0000000 -2.9148874 14 As -3.1393234 0.0000000 -0.2826465 0.0000000 -3.5339600 0.0000000 -0.2282429 0.0000000 -3.0624340 15 As -2.1150847 0.0000000 -1.9462373 0.0000000 -3.4123896 0.0000000 0.1318593 0.0000000 -2.9148874 16 As -3.1393234 0.0000000 -0.2826465 0.0000000 -3.5339600 0.0000000 -0.2282429 0.0000000 -3.0624340 17 As -1.8974571 0.0000000 -0.8025830 0.0000000 -3.5251334 0.0000000 0.0009932 0.0000000 -3.1520266 18 As -2.8867668 0.0000000 1.4010525 0.0000000 -3.5026378 0.0000000 -0.4765870 0.0000000 -3.2511489 19 As -2.8867668 0.0000000 1.4010525 0.0000000 -3.5026378 0.0000000 -0.4765870 0.0000000 -3.2511489 20 As -1.8974571 0.0000000 -0.8025830 0.0000000 -3.5251334 0.0000000 0.0009932 0.0000000 -3.1520266 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 5 12 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.33 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/77) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 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 1.276 ( 0.000 0.000 0.000) 0.000 1.393 ( 0.000 0.000 0.000) 0.000 1.414 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.611 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.792 ( 0.000 0.000 0.000) 0.000 3.833 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.998 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.520 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 7.507 ( 0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/77) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 22.940 0.000 8.046) 24.310 0.694 ( 31.377 0.000 3.776) 31.603 0.886 ( 40.500 0.000 5.313) 40.847 1.426 ( 14.276 0.000 -1.109) 14.319 1.490 ( 8.122 0.000 -8.474) 11.738 1.544 ( 7.037 0.000 -8.348) 10.918 1.652 ( 9.666 0.000 5.942) 11.346 1.746 ( 12.676 0.000 -3.908) 13.265 1.887 ( 2.160 0.000 -0.072) 2.162 1.924 ( -2.724 0.000 5.244) 5.910 2.202 ( -3.036 0.000 0.133) 3.039 2.212 ( 3.883 0.000 -4.957) 6.297 2.325 ( -11.058 0.000 0.824) 11.089 2.372 ( -6.153 0.000 7.364) 9.596 2.505 ( -2.157 0.000 -1.282) 2.509 2.560 ( -4.974 0.000 0.466) 4.996 2.572 ( -0.227 0.000 1.196) 1.218 2.787 ( -6.931 0.000 -3.052) 7.574 2.936 ( -5.542 0.000 0.540) 5.569 2.991 ( -1.517 0.000 1.135) 1.895 3.046 ( -0.225 0.000 -0.168) 0.281 3.050 ( -0.949 0.000 0.268) 0.986 3.138 ( -3.902 0.000 -1.585) 4.212 3.198 ( 0.815 0.000 -0.036) 0.816 3.286 ( 0.194 0.000 -11.030) 11.031 3.431 ( -17.503 0.000 -2.417) 17.669 3.438 ( -0.957 0.000 -0.016) 0.957 3.700 ( -9.538 0.000 2.998) 9.998 3.903 ( -11.016 0.000 -5.231) 12.195 4.060 ( -6.042 0.000 8.397) 10.345 4.088 ( 1.648 0.000 14.633) 14.726 4.521 ( 6.306 0.000 0.291) 6.313 4.659 ( 3.567 0.000 -8.985) 9.667 4.801 ( 9.119 0.000 -4.632) 10.228 4.882 ( 8.030 0.000 1.003) 8.093 5.115 ( -1.578 0.000 -6.074) 6.276 5.172 ( 3.449 0.000 1.941) 3.957 5.303 ( 3.823 0.000 3.111) 4.929 5.425 ( 2.413 0.000 2.032) 3.155 5.773 ( 0.319 0.000 -0.142) 0.349 5.802 ( 0.733 0.000 0.900) 1.161 5.802 ( 1.328 0.000 0.198) 1.343 5.939 ( 0.890 0.000 -0.105) 0.896 6.052 ( -0.402 0.000 0.041) 0.404 6.088 ( 2.777 0.000 -0.234) 2.787 6.185 ( 0.045 0.000 -0.053) 0.070 6.200 ( -0.192 0.000 0.027) 0.194 6.201 ( 0.050 0.000 -2.145) 2.145 6.232 ( 1.241 0.000 0.034) 1.241 6.315 ( 3.272 0.000 -1.867) 3.767 6.407 ( 3.217 0.000 3.223) 4.554 6.407 ( -0.753 0.000 -0.000) 0.753 6.549 ( 0.574 0.000 1.387) 1.501 6.559 ( 2.189 0.000 4.975) 5.435 6.746 ( -0.831 0.000 -1.771) 1.957 6.772 ( -2.108 0.000 -1.859) 2.811 7.507 ( -0.168 0.000 -0.558) 0.583 8.183 ( -0.261 0.000 0.468) 0.536 8.210 ( 0.348 0.000 0.622) 0.713 8.307 ( -0.464 0.000 -0.776) 0.904 ======================= Grid point 2 (3/77) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 18.823 0.000 9.380) 21.031 1.308 ( 25.406 0.000 2.370) 25.516 1.375 ( -11.260 0.000 -10.118) 15.138 1.664 ( 2.037 0.000 -4.928) 5.332 1.710 ( 20.854 0.000 -3.993) 21.233 1.765 ( 0.264 0.000 2.160) 2.176 1.782 ( 25.326 0.000 0.259) 25.327 1.976 ( -0.145 0.000 0.680) 0.695 2.001 ( 6.574 0.000 6.001) 8.901 2.032 ( -2.950 0.000 -2.058) 3.597 2.142 ( 14.392 0.000 -0.096) 14.392 2.191 ( -2.796 0.000 2.879) 4.013 2.241 ( -1.198 0.000 7.269) 7.367 2.320 ( 5.406 0.000 -1.850) 5.714 2.401 ( -5.348 0.000 -1.016) 5.444 2.453 ( -3.938 0.000 0.111) 3.939 2.482 ( -21.737 0.000 -1.808) 21.812 2.577 ( -2.686 0.000 0.325) 2.705 2.677 ( -14.226 0.000 -7.331) 16.004 2.815 ( -13.321 0.000 1.673) 13.425 3.030 ( -0.631 0.000 -0.067) 0.635 3.033 ( -2.377 0.000 -0.830) 2.518 3.040 ( -0.250 0.000 0.089) 0.266 3.159 ( -2.661 0.000 2.207) 3.457 3.216 ( 0.584 0.000 -0.013) 0.584 3.399 ( 5.403 0.000 -12.112) 13.263 3.420 ( -0.539 0.000 -0.012) 0.539 3.543 ( -5.772 0.000 5.862) 8.227 3.765 ( -1.542 0.000 0.294) 1.570 3.970 ( -2.900 0.000 3.473) 4.525 4.135 ( 0.135 0.000 8.864) 8.865 4.529 ( -1.682 0.000 -6.053) 6.282 4.759 ( 5.004 0.000 0.772) 5.063 4.938 ( 1.923 0.000 -3.031) 3.589 5.037 ( 4.433 0.000 1.277) 4.613 5.104 ( 2.208 0.000 -2.729) 3.510 5.215 ( 0.041 0.000 0.429) 0.431 5.374 ( 1.854 0.000 0.343) 1.886 5.466 ( 0.916 0.000 1.234) 1.536 5.781 ( 0.248 0.000 -0.062) 0.255 5.827 ( 0.762 0.000 0.107) 0.769 5.830 ( 1.233 0.000 1.342) 1.822 5.959 ( 0.752 0.000 -0.093) 0.758 6.042 ( -0.425 0.000 0.043) 0.428 6.119 ( 0.074 0.000 -1.620) 1.621 6.183 ( -0.101 0.000 -0.032) 0.106 6.197 ( -0.066 0.000 0.017) 0.068 6.205 ( 0.651 0.000 -0.108) 0.660 6.261 ( 1.038 0.000 0.021) 1.038 6.353 ( 0.736 0.000 -1.459) 1.634 6.390 ( -0.692 0.000 -0.002) 0.692 6.511 ( 5.429 0.000 2.118) 5.827 6.563 ( 0.566 0.000 -0.071) 0.571 6.631 ( -2.351 0.000 1.553) 2.818 6.691 ( 2.590 0.000 0.890) 2.739 6.761 ( -1.087 0.000 -1.677) 1.998 7.498 ( -0.411 0.000 -0.296) 0.506 8.185 ( 0.237 0.000 0.272) 0.361 8.211 ( -0.211 0.000 0.316) 0.380 8.295 ( -0.393 0.000 -0.501) 0.637 ======================= Grid point 5 (4/77) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 21.161 0.000) 21.161 0.689 ( 0.000 32.882 0.000) 32.882 0.912 ( 0.000 43.787 0.000) 43.787 1.378 ( 0.000 8.942 0.000) 8.942 1.484 ( 0.000 8.795 0.000) 8.795 1.624 ( 0.000 15.236 0.000) 15.236 1.708 ( 0.000 15.244 0.000) 15.244 1.719 ( 0.000 12.731 0.000) 12.731 2.008 ( 0.000 10.748 0.000) 10.748 2.063 ( 0.000 6.426 0.000) 6.426 2.119 ( 0.000 -1.211 0.000) 1.211 2.316 ( 0.000 6.218 0.000) 6.218 2.417 ( 0.000 0.276 0.000) 0.276 2.516 ( 0.000 1.083 0.000) 1.083 2.548 ( 0.000 3.679 0.000) 3.679 2.589 ( 0.000 0.412 0.000) 0.412 2.616 ( 0.000 0.890 0.000) 0.890 2.907 ( 0.000 1.540 0.000) 1.540 2.917 ( 0.000 -1.819 0.000) 1.819 2.987 ( 0.000 -1.684 0.000) 1.684 3.085 ( 0.000 -1.321 0.000) 1.321 3.088 ( 0.000 2.552 0.000) 2.552 3.197 ( 0.000 0.353 0.000) 0.353 3.198 ( 0.000 3.495 0.000) 3.495 3.318 ( 0.000 2.206 0.000) 2.206 3.372 ( 0.000 -5.868 0.000) 5.868 3.822 ( 0.000 2.827 0.000) 2.827 3.839 ( 0.000 0.629 0.000) 0.629 3.974 ( 0.000 3.438 0.000) 3.438 4.016 ( 0.000 1.823 0.000) 1.823 4.249 ( 0.000 -1.372 0.000) 1.372 4.406 ( 0.000 4.480 0.000) 4.480 4.444 ( 0.000 -1.530 0.000) 1.530 4.743 ( 0.000 -2.071 0.000) 2.071 4.783 ( 0.000 1.233 0.000) 1.233 5.062 ( 0.000 -2.044 0.000) 2.044 5.148 ( 0.000 -2.624 0.000) 2.624 5.207 ( 0.000 -3.305 0.000) 3.305 5.304 ( 0.000 -3.142 0.000) 3.142 5.741 ( 0.000 -3.896 0.000) 3.896 5.812 ( 0.000 2.525 0.000) 2.525 5.826 ( 0.000 2.968 0.000) 2.968 5.953 ( 0.000 1.945 0.000) 1.945 6.026 ( 0.000 -2.480 0.000) 2.480 6.099 ( 0.000 -0.825 0.000) 0.825 6.177 ( 0.000 -1.630 0.000) 1.630 6.191 ( 0.000 -0.269 0.000) 0.269 6.233 ( 0.000 0.049 0.000) 0.049 6.261 ( 0.000 1.509 0.000) 1.509 6.339 ( 0.000 -1.962 0.000) 1.962 6.356 ( 0.000 1.039 0.000) 1.039 6.507 ( 0.000 -1.130 0.000) 1.130 6.515 ( 0.000 -2.152 0.000) 2.152 6.738 ( 0.000 -3.915 0.000) 3.915 6.744 ( 0.000 -2.726 0.000) 2.726 7.088 ( 0.000 -1.072 0.000) 1.072 7.498 ( 0.000 -0.825 0.000) 0.825 8.183 ( 0.000 -0.527 0.000) 0.527 8.194 ( 0.000 -0.079 0.000) 0.079 8.298 ( 0.000 -1.385 0.000) 1.385 ======================= Grid point 6 (5/77) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 13.371 12.852 1.054) 18.577 0.663 ( 16.198 12.219 7.306) 21.565 1.355 ( 7.293 8.911 0.446) 11.524 1.513 ( 20.934 20.414 3.885) 29.497 1.546 ( 10.648 11.203 -5.118) 16.281 1.638 ( 6.430 8.602 -7.594) 13.153 1.760 ( 1.656 7.408 -4.779) 8.970 1.917 ( 6.656 13.987 6.571) 16.826 1.955 ( -1.532 4.102 3.058) 5.341 2.093 ( 6.402 14.174 0.212) 15.555 2.199 ( -1.197 -0.761 -5.563) 5.741 2.262 ( -1.355 4.356 -3.523) 5.764 2.315 ( -7.602 1.779 4.062) 8.800 2.376 ( -3.519 2.609 2.846) 5.224 2.514 ( -6.125 -1.286 0.335) 6.268 2.563 ( -2.241 0.820 0.500) 2.438 2.622 ( -0.776 5.075 1.077) 5.246 2.818 ( -4.562 2.788 -1.762) 5.630 2.954 ( -2.106 1.128 1.886) 3.044 2.998 ( 1.824 0.423 0.072) 1.874 3.055 ( -0.809 1.494 -0.200) 1.711 3.072 ( -0.670 2.144 -0.975) 2.449 3.152 ( -2.165 1.420 -0.897) 2.740 3.226 ( -0.957 1.636 1.104) 2.194 3.309 ( 0.145 1.213 -8.270) 8.359 3.396 ( 2.805 1.195 -1.345) 3.332 3.559 ( -15.050 9.845 -2.843) 18.207 3.774 ( -5.079 4.870 0.230) 7.041 3.939 ( -9.541 3.735 -3.123) 10.711 4.056 ( -4.393 -0.416 6.208) 7.616 4.096 ( -0.102 1.487 16.679) 16.745 4.493 ( 4.673 -2.568 -1.607) 5.569 4.632 ( 4.587 -2.297 -7.425) 9.025 4.773 ( 7.450 -2.749 -3.343) 8.617 4.860 ( 5.891 -1.600 0.218) 6.108 5.089 ( -1.756 -2.354 -5.270) 6.033 5.124 ( 2.431 -4.284 1.736) 5.223 5.264 ( 4.066 -3.488 2.988) 6.134 5.374 ( 3.284 -4.028 1.753) 5.485 5.761 ( 1.329 -3.390 0.942) 3.761 5.816 ( 0.507 3.329 -0.221) 3.374 5.846 ( 1.264 3.347 0.081) 3.579 5.961 ( 0.643 1.392 -0.537) 1.625 6.040 ( 1.367 -1.570 0.137) 2.086 6.098 ( 0.836 -0.327 -0.027) 0.899 6.162 ( -1.646 -0.830 -2.236) 2.898 6.196 ( 0.142 0.170 -0.233) 0.321 6.240 ( 0.481 -1.005 -0.186) 1.129 6.267 ( -1.614 2.855 -0.390) 3.303 6.308 ( 2.459 1.293 -0.973) 2.943 6.380 ( 2.794 -2.324 3.131) 4.797 6.476 ( -3.079 4.007 -1.704) 5.333 6.524 ( 0.919 -2.102 2.407) 3.325 6.566 ( -2.032 2.248 5.023) 5.867 6.714 ( -1.425 -2.562 -1.579) 3.330 6.738 ( -2.711 -3.044 -1.598) 4.378 7.496 ( -0.270 -1.029 -0.451) 1.155 8.178 ( -0.325 -0.532 0.265) 0.678 8.204 ( 0.284 -0.416 0.707) 0.868 8.291 ( -0.397 -1.433 -0.742) 1.662 ======================= Grid point 7 (6/77) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 16.046 4.659 8.802) 18.885 1.076 ( 28.747 -10.462 3.876) 30.837 1.358 ( -8.901 -1.097 -9.047) 12.739 1.640 ( -2.669 -0.629 -5.066) 5.760 1.653 ( -5.656 -5.363 -5.020) 9.271 1.820 ( 1.359 -0.644 -1.442) 2.084 1.848 ( 9.045 -1.326 5.188) 10.512 1.936 ( -6.829 2.683 2.822) 7.862 1.991 ( -0.546 -1.391 -2.287) 2.732 2.130 ( 0.368 5.009 -0.849) 5.094 2.229 ( 12.042 14.292 3.606) 19.033 2.288 ( 2.626 6.742 -2.766) 7.745 2.317 ( 3.407 5.215 -0.264) 6.235 2.354 ( 1.651 9.722 6.287) 11.695 2.537 ( 1.363 6.145 0.151) 6.296 2.546 ( 9.682 11.646 3.079) 15.455 2.621 ( 2.272 8.341 1.222) 8.731 2.702 ( -6.715 10.396 -3.355) 12.823 2.796 ( -14.166 11.911 -3.681) 18.871 2.935 ( -9.206 10.165 -0.419) 13.721 3.026 ( -0.949 1.679 -1.127) 2.234 3.078 ( -0.147 3.521 -0.213) 3.531 3.103 ( -1.976 3.893 -0.290) 4.376 3.148 ( -2.468 0.254 1.722) 3.019 3.250 ( -1.882 4.138 -0.526) 4.576 3.403 ( 0.448 1.406 -3.379) 3.687 3.494 ( 5.770 6.249 -6.446) 10.672 3.643 ( -8.082 8.798 4.583) 12.795 3.793 ( -1.634 2.897 -0.073) 3.327 3.974 ( -2.715 0.324 3.442) 4.396 4.151 ( 0.538 1.774 9.801) 9.975 4.490 ( -1.558 -3.604 -6.684) 7.751 4.711 ( 3.516 -4.393 -0.029) 5.627 4.913 ( 3.454 -3.239 -2.381) 5.300 4.975 ( 3.379 -5.085 0.861) 6.166 5.058 ( 0.439 -4.120 -1.414) 4.378 5.163 ( 0.488 -4.602 0.039) 4.628 5.341 ( 2.080 -3.059 0.539) 3.738 5.422 ( 0.985 -3.739 0.987) 3.990 5.791 ( 1.002 -3.263 1.128) 3.595 5.824 ( 0.176 3.631 -0.128) 3.637 5.870 ( 0.825 3.421 0.078) 3.520 5.973 ( 0.364 0.587 -0.633) 0.937 6.061 ( 0.805 1.120 0.773) 1.581 6.110 ( -1.641 -0.343 -2.179) 2.749 6.152 ( 2.239 -2.173 0.397) 3.146 6.194 ( -0.240 0.812 -0.173) 0.864 6.236 ( -0.529 -2.855 -0.469) 2.941 6.264 ( 0.300 2.814 0.004) 2.830 6.366 ( 1.959 1.394 -0.376) 2.434 6.427 ( -0.864 2.703 -0.081) 2.839 6.477 ( 4.554 -2.450 1.394) 5.356 6.550 ( 0.753 -1.226 0.324) 1.475 6.595 ( -2.325 -3.119 1.733) 4.259 6.654 ( 1.691 -3.110 0.519) 3.578 6.716 ( -1.394 -3.990 -1.677) 4.547 7.486 ( -0.412 -1.091 -0.242) 1.191 8.176 ( 0.091 -0.795 0.197) 0.824 8.206 ( -0.136 -0.415 0.323) 0.543 8.281 ( -0.333 -1.269 -0.448) 1.386 ======================= Grid point 10 (7/77) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 19.304 0.000) 19.304 1.342 ( 0.000 30.310 0.000) 30.310 1.566 ( 0.000 8.146 0.000) 8.146 1.681 ( 0.000 9.305 0.000) 9.305 1.794 ( 0.000 39.758 0.000) 39.758 1.936 ( 0.000 15.066 0.000) 15.066 1.999 ( 0.000 12.155 0.000) 12.155 2.097 ( 0.000 6.226 0.000) 6.226 2.131 ( 0.000 15.952 0.000) 15.952 2.184 ( 0.000 11.917 0.000) 11.917 2.385 ( 0.000 10.228 0.000) 10.228 2.434 ( 0.000 4.618 0.000) 4.618 2.491 ( 0.000 12.203 0.000) 12.203 2.524 ( 0.000 -3.025 0.000) 3.025 2.554 ( 0.000 -0.326 0.000) 0.326 2.564 ( 0.000 -1.380 0.000) 1.380 2.668 ( 0.000 2.849 0.000) 2.849 2.888 ( 0.000 -0.015 0.000) 0.015 2.890 ( 0.000 -2.576 0.000) 2.576 3.000 ( 0.000 2.408 0.000) 2.408 3.042 ( 0.000 -4.340 0.000) 4.340 3.174 ( 0.000 -4.169 0.000) 4.169 3.175 ( 0.000 5.534 0.000) 5.534 3.240 ( 0.000 -0.291 0.000) 0.291 3.297 ( 0.000 5.832 0.000) 5.832 3.461 ( 0.000 9.706 0.000) 9.706 3.868 ( 0.000 2.551 0.000) 2.551 3.894 ( 0.000 3.386 0.000) 3.386 4.059 ( 0.000 4.884 0.000) 4.884 4.076 ( 0.000 3.891 0.000) 3.891 4.225 ( 0.000 -0.410 0.000) 0.410 4.403 ( 0.000 -2.504 0.000) 2.504 4.524 ( 0.000 6.477 0.000) 6.477 4.709 ( 0.000 -0.277 0.000) 0.277 4.827 ( 0.000 3.190 0.000) 3.190 5.021 ( 0.000 -1.372 0.000) 1.372 5.075 ( 0.000 -4.096 0.000) 4.096 5.130 ( 0.000 -3.437 0.000) 3.437 5.224 ( 0.000 -4.233 0.000) 4.233 5.637 ( 0.000 -5.661 0.000) 5.661 5.859 ( 0.000 1.203 0.000) 1.203 5.895 ( 0.000 2.994 0.000) 2.994 5.952 ( 0.000 -4.446 0.000) 4.446 5.987 ( 0.000 0.655 0.000) 0.655 6.045 ( 0.000 -3.879 0.000) 3.879 6.106 ( 0.000 -4.106 0.000) 4.106 6.199 ( 0.000 0.262 0.000) 0.262 6.210 ( 0.000 -2.290 0.000) 2.290 6.308 ( 0.000 0.413 0.000) 0.413 6.321 ( 0.000 2.235 0.000) 2.235 6.332 ( 0.000 -3.615 0.000) 3.615 6.481 ( 0.000 -1.223 0.000) 1.223 6.485 ( 0.000 -0.697 0.000) 0.697 6.637 ( 0.000 -5.351 0.000) 5.351 6.667 ( 0.000 -4.519 0.000) 4.519 7.047 ( 0.000 -3.053 0.000) 3.053 7.475 ( 0.000 -1.340 0.000) 1.340 8.170 ( 0.000 -0.692 0.000) 0.692 8.194 ( 0.000 0.151 0.000) 0.151 8.261 ( 0.000 -2.055 0.000) 2.055 ======================= Grid point 11 (8/77) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 7.635 15.020 5.162) 17.622 1.058 ( -11.813 29.589 -2.127) 31.931 1.475 ( -5.180 5.276 -0.059) 7.394 1.708 ( -0.103 9.825 -3.552) 10.448 1.840 ( -3.638 13.083 -3.844) 14.113 1.906 ( -6.765 7.025 5.744) 11.318 2.047 ( -7.648 2.814 -4.142) 9.141 2.052 ( -9.658 -1.679 -5.661) 11.320 2.187 ( 15.533 23.473 0.617) 28.154 2.201 ( -5.078 4.234 3.784) 7.618 2.329 ( 3.810 10.403 2.246) 11.304 2.385 ( 5.999 11.858 -1.544) 13.379 2.470 ( -5.971 3.709 0.099) 7.030 2.505 ( 1.062 7.677 -0.606) 7.774 2.580 ( 0.308 2.982 1.373) 3.297 2.618 ( 8.378 13.255 0.531) 15.689 2.730 ( 2.804 8.642 0.089) 9.086 2.896 ( 4.942 2.873 1.361) 5.877 2.962 ( 2.738 -0.186 3.068) 4.116 3.002 ( 0.919 0.481 1.011) 1.449 3.096 ( 3.077 2.087 -1.013) 3.854 3.133 ( -1.429 3.274 -0.518) 3.610 3.185 ( -0.645 1.759 -1.673) 2.512 3.276 ( 3.348 3.007 -0.210) 4.505 3.342 ( 2.374 3.305 -0.804) 4.148 3.516 ( 5.596 9.689 -4.518) 12.066 3.804 ( -8.463 12.169 -3.215) 15.167 3.870 ( -0.606 4.848 -2.170) 5.346 4.016 ( -4.026 2.792 -1.814) 5.224 4.068 ( -1.757 2.353 7.311) 7.879 4.169 ( -3.664 5.353 11.361) 13.083 4.424 ( 1.248 -3.896 -2.782) 4.947 4.589 ( 3.338 -1.274 -3.074) 4.713 4.702 ( 0.665 -3.332 -2.526) 4.234 4.841 ( 1.496 0.211 0.007) 1.511 5.016 ( -3.991 -4.484 -1.096) 6.102 5.043 ( 1.682 -2.270 -1.471) 3.186 5.173 ( 4.219 -5.006 2.264) 6.927 5.285 ( 3.304 -4.246 1.176) 5.507 5.670 ( 2.207 -5.029 0.992) 5.581 5.885 ( 1.578 2.276 -0.206) 2.777 5.908 ( 0.976 1.484 -0.526) 1.852 5.944 ( 0.722 -2.491 -1.161) 2.841 6.028 ( 2.729 -0.052 1.374) 3.056 6.037 ( -0.278 -4.322 -0.766) 4.398 6.127 ( 1.579 -4.488 -0.080) 4.758 6.181 ( -2.072 0.125 -1.324) 2.462 6.220 ( 0.315 -1.410 -0.556) 1.548 6.284 ( -1.141 -1.036 -0.077) 1.543 6.320 ( -0.087 -2.210 0.644) 2.304 6.366 ( 3.616 2.537 0.274) 4.425 6.474 ( -0.386 -1.944 3.705) 4.202 6.500 ( 1.233 -0.405 -1.508) 1.990 6.588 ( -3.350 -3.125 -1.123) 4.717 6.648 ( -1.139 -4.475 -0.651) 4.664 6.742 ( -11.874 4.588 1.798) 12.856 7.469 ( -0.444 -1.422 -0.237) 1.508 8.163 ( -0.489 -0.784 -0.019) 0.924 8.198 ( 0.103 -0.098 0.671) 0.686 8.254 ( -0.302 -2.028 -0.569) 2.128 ======================= Grid point 12 (9/77) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 12.644 9.333 0.682) 15.730 1.163 ( 9.657 7.374 7.584) 14.323 1.361 ( -6.729 1.490 -4.173) 8.057 1.490 ( -23.051 -5.179 -4.238) 24.003 1.728 ( 3.283 6.346 -3.027) 7.759 1.832 ( 2.088 4.821 -0.501) 5.278 1.895 ( -3.401 2.922 5.059) 6.760 2.032 ( -3.025 5.027 -1.095) 5.968 2.058 ( -3.606 6.472 0.871) 7.459 2.124 ( -9.146 2.519 -2.978) 9.943 2.298 ( -1.821 0.567 0.219) 1.920 2.464 ( 5.745 9.491 -7.647) 13.474 2.543 ( -2.056 6.898 5.964) 9.348 2.594 ( 1.185 2.029 -0.963) 2.539 2.740 ( 5.290 9.254 3.055) 11.088 2.809 ( 16.218 22.529 1.821) 27.819 2.861 ( 1.806 11.402 0.752) 11.569 2.943 ( 3.550 9.502 2.049) 10.349 2.998 ( 0.983 5.896 2.918) 6.652 3.082 ( 6.724 6.383 -1.274) 9.358 3.111 ( -1.903 6.344 -2.160) 6.966 3.179 ( 4.436 4.967 -0.016) 6.660 3.180 ( 0.336 3.994 -0.057) 4.008 3.269 ( -4.558 11.154 -1.024) 12.093 3.374 ( 0.539 4.896 -1.171) 5.063 3.536 ( -13.050 14.690 -2.229) 19.776 3.669 ( 9.548 10.609 -6.013) 15.488 3.843 ( -4.064 8.900 1.290) 9.868 3.915 ( -4.626 9.786 -2.065) 11.020 3.983 ( -2.767 0.678 4.666) 5.468 4.214 ( 2.207 4.053 13.621) 14.382 4.397 ( -2.180 -4.762 -8.775) 10.219 4.602 ( 0.025 -5.270 -1.603) 5.508 4.747 ( 2.113 -11.554 -0.465) 11.755 4.889 ( 2.812 -4.131 -0.629) 5.036 4.947 ( -2.687 -6.324 0.994) 6.942 5.073 ( 0.988 -2.445 -0.756) 2.744 5.255 ( 2.339 -5.029 0.681) 5.588 5.335 ( 1.161 -4.200 0.467) 4.383 5.707 ( 0.929 -4.422 0.911) 4.609 5.899 ( 0.218 2.407 -0.506) 2.469 5.931 ( 1.348 0.170 -0.210) 1.375 5.956 ( -0.568 -0.249 -0.927) 1.116 6.053 ( 1.740 -2.960 0.588) 3.483 6.096 ( 2.949 -2.473 1.164) 4.021 6.120 ( -2.377 -2.192 -1.383) 3.517 6.157 ( 0.365 -1.519 -0.893) 1.800 6.204 ( -0.834 -0.227 -0.598) 1.051 6.293 ( 0.770 -0.967 0.156) 1.246 6.336 ( 0.791 -4.522 0.932) 4.684 6.448 ( 3.834 0.688 0.057) 3.895 6.489 ( 1.002 0.888 1.755) 2.208 6.523 ( -1.109 -0.809 2.211) 2.602 6.530 ( -1.254 -2.959 -2.810) 4.269 6.610 ( -1.468 -0.555 0.132) 1.575 6.631 ( -1.254 -2.263 -0.487) 2.632 7.458 ( -0.382 -1.399 -0.131) 1.456 8.156 ( -0.157 -1.054 0.062) 1.068 8.199 ( -0.057 -0.158 0.271) 0.319 8.248 ( -0.173 -1.793 -0.301) 1.826 ======================= Grid point 15 (10/77) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 15.459 0.000) 15.459 1.652 ( 0.000 1.057 0.000) 1.057 1.827 ( 0.000 4.008 0.000) 4.008 1.928 ( 0.000 25.911 0.000) 25.911 2.059 ( 0.000 1.391 0.000) 1.391 2.209 ( 0.000 7.480 0.000) 7.480 2.313 ( 0.000 -5.269 0.000) 5.269 2.331 ( 0.000 1.118 0.000) 1.118 2.349 ( 0.000 15.004 0.000) 15.004 2.439 ( 0.000 0.536 0.000) 0.536 2.449 ( 0.000 2.258 0.000) 2.258 2.506 ( 0.000 -0.250 0.000) 0.250 2.509 ( 0.000 4.599 0.000) 4.599 2.594 ( 0.000 25.649 0.000) 25.649 2.608 ( 0.000 4.358 0.000) 4.358 2.755 ( 0.000 5.294 0.000) 5.294 2.773 ( 0.000 8.457 0.000) 8.457 2.849 ( 0.000 1.064 0.000) 1.064 2.861 ( 0.000 -10.153 0.000) 10.153 3.053 ( 0.000 14.335 0.000) 14.335 3.058 ( 0.000 3.418 0.000) 3.418 3.161 ( 0.000 4.217 0.000) 4.217 3.260 ( 0.000 1.340 0.000) 1.340 3.272 ( 0.000 2.481 0.000) 2.481 3.435 ( 0.000 7.277 0.000) 7.277 3.744 ( 0.000 17.337 0.000) 17.337 3.946 ( 0.000 2.859 0.000) 2.859 3.955 ( 0.000 5.987 0.000) 5.987 4.161 ( 0.000 4.043 0.000) 4.043 4.167 ( 0.000 4.586 0.000) 4.586 4.247 ( 0.000 2.198 0.000) 2.198 4.342 ( 0.000 -3.222 0.000) 3.222 4.658 ( 0.000 6.359 0.000) 6.359 4.757 ( 0.000 4.952 0.000) 4.952 4.915 ( 0.000 5.216 0.000) 5.216 5.004 ( 0.000 -1.876 0.000) 1.876 5.013 ( 0.000 0.728 0.000) 0.728 5.106 ( 0.000 1.805 0.000) 1.805 5.152 ( 0.000 -1.957 0.000) 1.957 5.536 ( 0.000 -3.312 0.000) 3.312 5.837 ( 0.000 -3.264 0.000) 3.264 5.845 ( 0.000 -5.059 0.000) 5.059 5.925 ( 0.000 -1.710 0.000) 1.710 5.946 ( 0.000 -4.458 0.000) 4.458 5.962 ( 0.000 -3.413 0.000) 3.413 6.061 ( 0.000 -0.328 0.000) 0.328 6.152 ( 0.000 -3.299 0.000) 3.299 6.177 ( 0.000 -2.671 0.000) 2.671 6.248 ( 0.000 -3.353 0.000) 3.353 6.309 ( 0.000 -0.075 0.000) 0.075 6.367 ( 0.000 1.313 0.000) 1.313 6.441 ( 0.000 -4.472 0.000) 4.472 6.458 ( 0.000 -1.237 0.000) 1.237 6.546 ( 0.000 -3.070 0.000) 3.070 6.567 ( 0.000 -4.956 0.000) 4.956 6.958 ( 0.000 -5.660 0.000) 5.660 7.446 ( 0.000 -1.443 0.000) 1.443 8.156 ( 0.000 -0.668 0.000) 0.668 8.200 ( 0.000 0.402 0.000) 0.402 8.219 ( 0.000 -1.924 0.000) 1.924 ======================= Grid point 16 (11/77) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 2.238 12.995 2.165) 13.363 1.551 ( -6.992 2.397 0.195) 7.394 1.657 ( -16.843 26.923 -2.664) 31.869 1.836 ( -14.328 -1.964 -3.597) 14.902 1.907 ( -4.640 1.214 3.064) 5.691 2.030 ( -3.877 1.010 -0.773) 4.080 2.169 ( -5.328 11.716 0.210) 12.873 2.203 ( -7.317 14.525 -3.683) 16.676 2.300 ( -7.603 5.075 3.278) 9.711 2.348 ( -6.796 1.334 -2.603) 7.398 2.428 ( -5.840 1.186 1.757) 6.213 2.555 ( 3.543 6.842 -6.885) 10.333 2.586 ( 3.274 0.936 -2.520) 4.236 2.624 ( 1.184 3.017 -1.098) 3.422 2.799 ( 7.703 1.680 4.659) 9.157 2.840 ( 9.085 -2.809 4.287) 10.431 2.881 ( 7.249 2.780 4.635) 9.042 2.948 ( 14.347 19.765 1.798) 24.489 3.028 ( 1.861 1.439 3.785) 4.457 3.096 ( 5.322 2.836 -0.596) 6.060 3.131 ( 7.414 9.897 0.032) 12.366 3.204 ( 1.404 0.489 -2.689) 3.072 3.247 ( 2.665 8.619 1.090) 9.087 3.319 ( 5.244 2.748 -1.962) 6.237 3.456 ( 1.523 6.429 -0.923) 6.671 3.792 ( 4.972 16.921 -4.083) 18.103 3.939 ( -0.703 2.767 -0.670) 2.932 4.019 ( 4.099 6.216 3.318) 8.152 4.079 ( -2.601 5.980 -8.380) 10.618 4.174 ( -3.255 5.967 0.470) 6.813 4.254 ( -0.531 1.099 3.297) 3.516 4.354 ( 0.465 -2.014 4.453) 4.909 4.589 ( -4.813 1.975 1.759) 5.491 4.697 ( -4.934 4.567 -1.957) 7.002 4.872 ( -3.468 2.321 0.496) 4.202 4.973 ( -5.377 1.501 -2.274) 6.028 5.040 ( 1.681 2.630 0.221) 3.129 5.083 ( 3.394 -2.912 0.949) 4.572 5.218 ( 3.260 -1.738 0.640) 3.749 5.579 ( 3.033 -3.049 0.841) 4.382 5.838 ( -0.067 -4.788 -1.823) 5.123 5.871 ( 2.767 -4.118 1.215) 5.108 5.931 ( 0.393 -2.656 -0.842) 2.814 5.955 ( -0.035 -2.628 -1.322) 2.942 5.974 ( 1.576 -4.680 1.859) 5.277 6.074 ( 1.001 -0.860 0.491) 1.408 6.144 ( -1.359 -3.948 -0.693) 4.232 6.170 ( -0.129 -3.025 -1.430) 3.349 6.247 ( 0.481 -1.577 0.270) 1.671 6.294 ( -1.421 -0.463 -0.456) 1.563 6.400 ( 0.666 -1.110 2.473) 2.792 6.439 ( 2.430 -0.988 3.032) 4.009 6.469 ( 1.054 -2.480 -5.206) 5.862 6.529 ( -1.432 -2.012 0.496) 2.518 6.555 ( -0.553 -4.263 -0.637) 4.346 6.799 ( -9.314 0.134 1.665) 9.462 7.441 ( -0.411 -1.316 -0.093) 1.382 8.148 ( -0.599 -0.648 -0.156) 0.896 8.201 ( -0.001 0.313 0.387) 0.498 8.214 ( -0.161 -1.746 -0.243) 1.770 ======================= Grid point 17 (12/77) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 2.799 7.823 2.822) 8.775 1.392 ( -4.690 18.689 -0.843) 19.287 1.411 ( -6.597 4.430 0.674) 7.975 1.487 ( -10.803 4.671 -4.177) 12.489 1.884 ( -1.178 8.043 1.335) 8.238 1.932 ( -3.963 3.737 -0.141) 5.449 2.031 ( -4.760 9.875 1.313) 11.041 2.140 ( -2.582 5.718 -2.910) 6.916 2.184 ( 0.614 6.346 0.423) 6.390 2.238 ( -3.556 5.434 -0.300) 6.501 2.342 ( -2.221 4.971 1.317) 5.602 2.609 ( 1.567 3.520 -4.170) 5.677 2.630 ( 1.116 2.942 -0.840) 3.257 2.648 ( 1.353 3.302 -1.068) 3.724 2.897 ( 3.553 4.323 5.662) 7.961 2.968 ( 1.664 -0.363 0.781) 1.874 2.984 ( -2.340 2.816 -1.065) 3.813 3.012 ( 2.057 0.711 1.175) 2.474 3.161 ( 2.689 -0.068 -0.450) 2.727 3.194 ( 5.033 3.151 0.414) 5.952 3.245 ( 0.659 1.788 -0.057) 1.906 3.304 ( 5.065 8.144 1.443) 9.699 3.334 ( 4.143 4.691 0.328) 6.268 3.463 ( -0.115 6.186 -1.182) 6.299 3.559 ( 15.890 19.174 2.702) 25.048 3.870 ( -7.399 10.902 -2.644) 13.438 3.918 ( 4.657 10.938 -1.598) 11.995 3.983 ( -4.876 4.369 -0.901) 6.609 4.043 ( 0.515 9.031 -7.108) 11.504 4.157 ( -0.319 11.836 1.237) 11.905 4.237 ( 0.697 -3.040 4.737) 5.672 4.365 ( -0.116 2.071 4.410) 4.874 4.512 ( -2.767 -6.126 0.814) 6.771 4.580 ( -4.214 4.584 -2.862) 6.853 4.808 ( -1.910 -2.113 0.170) 2.853 4.864 ( -3.000 0.313 -0.413) 3.045 5.082 ( 1.344 2.944 0.110) 3.238 5.154 ( 2.178 -4.053 0.315) 4.612 5.269 ( 1.309 -1.666 0.136) 2.123 5.630 ( 1.274 -2.469 0.767) 2.882 5.842 ( 0.489 -4.909 -1.230) 5.084 5.922 ( 0.353 -7.105 0.409) 7.125 5.939 ( 0.967 -0.744 0.488) 1.314 5.959 ( 0.958 -2.795 -1.263) 3.213 6.003 ( 0.212 -4.756 0.725) 4.816 6.085 ( -0.103 -2.789 0.158) 2.795 6.131 ( 1.204 -2.560 0.571) 2.886 6.164 ( -0.768 -3.352 -1.816) 3.889 6.249 ( -0.298 -1.588 -0.033) 1.616 6.268 ( -0.725 -1.971 -0.057) 2.101 6.415 ( 1.019 -2.800 3.210) 4.379 6.463 ( -0.897 -2.860 -3.784) 4.828 6.509 ( -0.130 -1.128 0.420) 1.210 6.514 ( 1.212 -0.293 0.840) 1.504 6.574 ( 3.568 -0.620 -0.317) 3.635 6.668 ( -4.238 1.874 0.689) 4.685 7.432 ( -0.275 -1.104 -0.047) 1.139 8.137 ( -0.301 -0.697 -0.044) 0.761 8.202 ( 0.017 0.348 0.081) 0.357 8.213 ( -0.013 -1.507 -0.043) 1.508 ======================= Grid point 20 (13/77) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 9.412 0.000) 9.412 1.645 ( 0.000 -1.180 0.000) 1.180 1.840 ( 0.000 -1.658 0.000) 1.658 2.059 ( 0.000 -12.309 0.000) 12.309 2.059 ( 0.000 -2.081 0.000) 2.081 2.096 ( 0.000 -11.277 0.000) 11.277 2.356 ( 0.000 4.658 0.000) 4.658 2.424 ( 0.000 0.305 0.000) 0.305 2.456 ( 0.000 0.826 0.000) 0.826 2.493 ( 0.000 7.366 0.000) 7.366 2.542 ( 0.000 8.430 0.000) 8.430 2.588 ( 0.000 4.450 0.000) 4.450 2.639 ( 0.000 5.268 0.000) 5.268 2.648 ( 0.000 -6.451 0.000) 6.451 2.687 ( 0.000 -1.000 0.000) 1.000 2.723 ( 0.000 7.492 0.000) 7.492 2.817 ( 0.000 5.331 0.000) 5.331 2.970 ( 0.000 7.145 0.000) 7.145 3.038 ( 0.000 3.395 0.000) 3.395 3.155 ( 0.000 5.498 0.000) 5.498 3.232 ( 0.000 -3.013 0.000) 3.013 3.237 ( 0.000 1.323 0.000) 1.323 3.277 ( 0.000 0.670 0.000) 0.670 3.533 ( 0.000 27.189 0.000) 27.189 3.556 ( 0.000 3.663 0.000) 3.663 4.053 ( 0.000 0.457 0.000) 0.457 4.069 ( 0.000 11.072 0.000) 11.072 4.158 ( 0.000 17.321 0.000) 17.321 4.218 ( 0.000 3.063 0.000) 3.063 4.247 ( 0.000 -4.374 0.000) 4.374 4.284 ( 0.000 -0.915 0.000) 0.915 4.286 ( 0.000 9.249 0.000) 9.249 4.779 ( 0.000 5.166 0.000) 5.166 4.895 ( 0.000 7.846 0.000) 7.846 5.014 ( 0.000 3.406 0.000) 3.406 5.037 ( 0.000 5.677 0.000) 5.677 5.101 ( 0.000 8.524 0.000) 8.524 5.176 ( 0.000 3.845 0.000) 3.845 5.179 ( 0.000 5.045 0.000) 5.045 5.528 ( 0.000 2.458 0.000) 2.458 5.747 ( 0.000 -4.759 0.000) 4.759 5.762 ( 0.000 -2.434 0.000) 2.434 5.839 ( 0.000 -5.628 0.000) 5.628 5.846 ( 0.000 -4.401 0.000) 4.401 5.884 ( 0.000 -5.145 0.000) 5.145 6.048 ( 0.000 -2.050 0.000) 2.050 6.081 ( 0.000 -2.802 0.000) 2.802 6.096 ( 0.000 -4.457 0.000) 4.457 6.217 ( 0.000 -0.290 0.000) 0.290 6.290 ( 0.000 -2.570 0.000) 2.570 6.310 ( 0.000 -7.748 0.000) 7.748 6.365 ( 0.000 -1.432 0.000) 1.432 6.413 ( 0.000 -3.123 0.000) 3.123 6.488 ( 0.000 -2.096 0.000) 2.096 6.493 ( 0.000 -2.459 0.000) 2.459 6.815 ( 0.000 -8.100 0.000) 8.100 7.418 ( 0.000 -1.249 0.000) 1.249 8.142 ( 0.000 -0.687 0.000) 0.687 8.185 ( 0.000 -1.333 0.000) 1.333 8.209 ( 0.000 0.369 0.000) 0.369 ======================= Grid point 21 (14/77) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.844 8.137 -0.936) 8.234 1.580 ( -4.541 1.115 1.879) 5.039 1.751 ( -10.603 -2.700 -3.551) 11.504 1.900 ( 3.586 -1.312 2.766) 4.715 2.026 ( -3.293 1.119 0.219) 3.485 2.210 ( -14.253 21.440 -1.533) 25.791 2.281 ( -6.067 -2.154 -3.742) 7.447 2.338 ( -4.545 0.357 2.602) 5.249 2.399 ( 4.626 -1.175 0.545) 4.804 2.453 ( -3.923 7.590 1.425) 8.662 2.562 ( -5.309 11.223 -0.165) 12.416 2.571 ( 2.971 -0.369 -4.830) 5.682 2.658 ( 4.484 -1.534 -1.140) 4.875 2.670 ( 4.292 1.515 -1.489) 4.789 2.724 ( 1.292 4.350 2.936) 5.405 2.801 ( 6.998 -1.859 3.214) 7.922 2.932 ( 3.106 -3.390 1.474) 4.828 2.947 ( 4.876 -0.559 1.530) 5.141 3.085 ( 1.223 0.658 4.281) 4.501 3.146 ( 0.850 -0.189 -3.944) 4.039 3.191 ( -0.199 0.893 -3.817) 3.925 3.239 ( -0.601 -1.513 0.264) 1.649 3.369 ( 4.565 0.543 4.307) 6.299 3.529 ( -1.320 1.876 -3.450) 4.143 3.691 ( 11.200 22.628 1.845) 25.315 3.983 ( -5.757 -1.168 0.322) 5.883 4.038 ( -4.731 -1.319 -3.611) 6.096 4.109 ( -2.756 3.563 1.131) 4.644 4.190 ( -1.226 -1.115 -0.591) 1.760 4.273 ( 1.967 9.815 -2.892) 10.419 4.340 ( 5.693 14.423 -1.990) 15.633 4.383 ( 6.433 7.289 5.702) 11.271 4.714 ( -4.777 8.759 0.473) 9.988 4.869 ( -2.763 9.853 0.910) 10.274 4.947 ( -4.148 5.645 -0.437) 7.019 5.071 ( -0.513 6.440 -1.607) 6.658 5.085 ( -1.138 4.272 0.263) 4.428 5.160 ( 0.982 8.497 1.329) 8.656 5.228 ( 3.095 2.742 0.392) 4.153 5.564 ( 2.814 1.425 0.401) 3.179 5.752 ( -0.281 -3.273 -2.107) 3.903 5.762 ( 0.645 -5.214 1.685) 5.517 5.845 ( 0.426 -5.263 -0.583) 5.312 5.863 ( 1.479 -4.702 -0.618) 4.968 5.893 ( 0.709 -4.700 1.698) 5.047 6.033 ( -1.424 -4.026 -1.708) 4.599 6.071 ( -0.283 -1.948 0.764) 2.111 6.097 ( 0.139 -3.700 -1.396) 3.957 6.229 ( 0.058 -1.231 0.114) 1.237 6.265 ( -2.103 -3.033 -0.381) 3.710 6.309 ( 0.609 -5.839 2.797) 6.503 6.408 ( 1.843 -2.772 -3.646) 4.937 6.428 ( 3.555 -1.973 0.515) 4.098 6.485 ( -0.320 -1.831 0.181) 1.868 6.487 ( -0.435 -2.590 0.472) 2.669 6.746 ( -4.794 -5.040 1.197) 7.058 7.416 ( -0.129 -1.040 -0.036) 1.049 8.137 ( -0.428 -0.496 -0.207) 0.687 8.183 ( -0.012 -1.166 0.029) 1.166 8.210 ( 0.124 0.432 0.140) 0.471 ======================= Grid point 22 (15/77) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.885 5.434 -0.570) 5.535 1.523 ( -0.911 6.418 0.598) 6.510 1.649 ( 1.841 10.991 0.521) 11.156 1.826 ( -12.603 20.718 -2.642) 24.394 1.972 ( 0.881 0.163 0.780) 1.188 2.031 ( -1.356 5.527 2.317) 6.144 2.208 ( 0.509 6.690 -3.299) 7.477 2.268 ( -3.573 5.144 1.748) 6.503 2.335 ( -2.973 7.953 0.748) 8.524 2.363 ( -4.877 9.119 -1.927) 10.520 2.470 ( -1.981 5.769 1.420) 6.262 2.613 ( 0.847 -1.070 -0.861) 1.614 2.659 ( 1.088 -1.090 -4.415) 4.676 2.751 ( 0.677 6.339 0.858) 6.432 2.922 ( 4.468 -1.712 2.515) 5.406 2.941 ( 5.638 -3.703 -0.078) 6.746 2.977 ( 5.572 -1.521 5.622) 8.060 3.016 ( -1.079 0.112 -0.635) 1.257 3.096 ( 0.840 -4.123 0.634) 4.255 3.196 ( 1.428 -2.393 -2.883) 4.010 3.232 ( 3.779 -4.640 -0.347) 5.994 3.248 ( 1.782 -5.217 1.301) 5.664 3.405 ( -2.576 -1.869 0.111) 3.184 3.501 ( 0.290 -2.696 -1.618) 3.158 3.837 ( -0.592 -2.022 -3.982) 4.506 3.896 ( -3.490 -7.421 1.891) 8.416 3.938 ( 1.419 -2.798 -0.797) 3.237 4.011 ( -5.380 -8.714 4.485) 11.181 4.204 ( 3.251 13.145 -1.377) 13.611 4.311 ( 0.614 15.651 -1.638) 15.749 4.479 ( 5.317 16.587 -2.469) 17.592 4.528 ( 6.211 14.837 0.812) 16.105 4.618 ( -3.897 12.711 2.293) 13.491 4.792 ( -3.788 12.295 1.972) 13.016 4.878 ( -1.774 9.033 -0.480) 9.218 4.964 ( -4.864 8.343 -1.174) 9.729 5.118 ( 1.371 1.128 -0.292) 1.799 5.195 ( 1.127 8.291 0.833) 8.409 5.281 ( 1.449 2.856 0.106) 3.204 5.621 ( 1.848 1.366 0.690) 2.400 5.739 ( -0.383 -4.692 -1.282) 4.880 5.774 ( 0.061 -6.637 0.495) 6.656 5.851 ( 0.195 -6.178 -0.619) 6.212 5.895 ( 1.120 -4.288 0.239) 4.438 5.915 ( 0.780 -3.395 1.020) 3.630 6.005 ( -0.476 -4.341 -1.088) 4.501 6.075 ( 0.296 -2.610 1.661) 3.109 6.091 ( -0.435 -3.441 -1.966) 3.987 6.215 ( -0.652 -3.158 0.172) 3.229 6.222 ( -1.308 -2.954 -0.843) 3.339 6.343 ( 1.228 -3.827 2.007) 4.492 6.412 ( -0.043 -2.322 -2.262) 3.242 6.474 ( -0.027 -2.570 -0.380) 2.598 6.479 ( -0.389 -1.945 0.697) 2.102 6.555 ( 5.854 -2.336 0.576) 6.329 6.660 ( -3.925 -2.982 0.443) 4.949 7.414 ( -0.085 -0.706 -0.011) 0.711 8.128 ( -0.250 -0.228 -0.097) 0.352 8.186 ( 0.168 -1.013 0.011) 1.027 8.213 ( 0.062 0.582 0.065) 0.589 ======================= Grid point 25 (16/77) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 0.000 1.554 0.000) 1.554 1.615 ( 0.000 -1.591 0.000) 1.591 1.775 ( 0.000 -4.845 0.000) 4.845 1.832 ( 0.000 -8.432 0.000) 8.432 1.889 ( 0.000 -5.890 0.000) 5.890 2.038 ( 0.000 -0.431 0.000) 0.431 2.270 ( 0.000 -4.403 0.000) 4.403 2.352 ( 0.000 -4.650 0.000) 4.650 2.415 ( 0.000 -4.463 0.000) 4.463 2.506 ( 0.000 -1.102 0.000) 1.102 2.626 ( 0.000 -1.653 0.000) 1.653 2.628 ( 0.000 1.478 0.000) 1.478 2.765 ( 0.000 6.355 0.000) 6.355 2.771 ( 0.000 6.415 0.000) 6.415 2.786 ( 0.000 6.430 0.000) 6.430 2.872 ( 0.000 6.083 0.000) 6.083 2.921 ( 0.000 7.719 0.000) 7.719 3.046 ( 0.000 -1.461 0.000) 1.461 3.144 ( 0.000 4.908 0.000) 4.908 3.165 ( 0.000 0.081 0.000) 0.081 3.176 ( 0.000 -7.428 0.000) 7.428 3.259 ( 0.000 2.012 0.000) 2.012 3.285 ( 0.000 6.235 0.000) 6.235 3.588 ( 0.000 0.394 0.000) 0.394 3.985 ( 0.000 -5.379 0.000) 5.379 4.016 ( 0.000 6.406 0.000) 6.406 4.117 ( 0.000 -6.745 0.000) 6.745 4.158 ( 0.000 12.463 0.000) 12.463 4.218 ( 0.000 -4.118 0.000) 4.118 4.405 ( 0.000 11.254 0.000) 11.254 4.516 ( 0.000 13.266 0.000) 13.266 4.520 ( 0.000 9.822 0.000) 9.822 4.859 ( 0.000 2.534 0.000) 2.534 5.034 ( 0.000 -2.717 0.000) 2.717 5.067 ( 0.000 8.522 0.000) 8.522 5.213 ( 0.000 9.664 0.000) 9.664 5.249 ( 0.000 5.254 0.000) 5.254 5.325 ( 0.000 11.102 0.000) 11.102 5.340 ( 0.000 9.460 0.000) 9.460 5.548 ( 0.000 -3.564 0.000) 3.564 5.693 ( 0.000 -3.080 0.000) 3.080 5.719 ( 0.000 -4.890 0.000) 4.890 5.737 ( 0.000 0.482 0.000) 0.482 5.767 ( 0.000 -4.462 0.000) 4.462 5.789 ( 0.000 -0.122 0.000) 0.122 5.963 ( 0.000 -5.346 0.000) 5.346 6.009 ( 0.000 -3.764 0.000) 3.764 6.052 ( 0.000 -0.618 0.000) 0.618 6.145 ( 0.000 -6.662 0.000) 6.662 6.193 ( 0.000 -5.610 0.000) 5.610 6.219 ( 0.000 -0.218 0.000) 0.218 6.311 ( 0.000 -3.372 0.000) 3.372 6.371 ( 0.000 -0.911 0.000) 0.911 6.452 ( 0.000 -1.014 0.000) 1.014 6.464 ( 0.000 -0.702 0.000) 0.702 6.639 ( 0.000 -8.446 0.000) 8.446 7.396 ( 0.000 -0.776 0.000) 0.776 8.129 ( 0.000 -0.517 0.000) 0.517 8.165 ( 0.000 -0.641 0.000) 0.641 8.214 ( 0.000 0.174 0.000) 0.174 ======================= Grid point 26 (17/77) ======================= q-point: ( 0.20 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -1.363 1.532 -2.542) 3.266 1.626 ( 1.051 2.853 1.544) 3.410 1.748 ( 1.719 2.374 0.529) 2.978 1.855 ( 3.795 -2.099 0.485) 4.364 2.046 ( 1.178 1.214 -0.458) 1.753 2.151 ( 14.426 -12.821 3.420) 19.600 2.273 ( 2.349 -1.233 -2.205) 3.450 2.315 ( -0.458 -1.694 2.376) 2.953 2.493 ( 3.248 -1.005 -5.481) 6.450 2.574 ( -0.572 1.807 2.843) 3.417 2.617 ( -2.202 3.406 0.561) 4.094 2.638 ( 0.981 -2.270 -1.807) 3.062 2.677 ( -0.797 2.707 3.243) 4.299 2.726 ( -3.889 3.999 -3.516) 6.594 2.755 ( -3.174 7.320 0.199) 7.981 2.850 ( 1.236 1.002 1.757) 2.370 2.930 ( -0.772 6.963 1.271) 7.120 3.057 ( -0.068 -1.455 -3.638) 3.919 3.065 ( -3.221 6.727 -1.160) 7.548 3.142 ( -0.539 0.545 -0.784) 1.096 3.188 ( -2.898 -2.180 0.239) 3.635 3.233 ( -1.892 0.540 1.352) 2.388 3.310 ( 2.561 -2.020 3.884) 5.072 3.513 ( -6.257 -2.299 -4.748) 8.184 3.872 ( -7.853 -6.215 -0.679) 10.037 3.895 ( -14.700 -7.176 -1.603) 16.436 3.954 ( -5.101 -1.137 3.501) 6.290 4.010 ( -11.586 -7.649 1.722) 13.989 4.365 ( 10.635 16.578 1.723) 19.772 4.521 ( 5.715 9.791 1.337) 11.416 4.623 ( 8.291 10.910 -2.433) 13.917 4.651 ( 9.527 13.302 -1.256) 16.410 4.860 ( 0.193 4.651 0.552) 4.688 5.036 ( -0.742 4.283 0.481) 4.373 5.081 ( 1.471 6.304 -0.501) 6.493 5.195 ( -1.755 6.766 0.186) 6.992 5.240 ( -0.432 7.926 -2.057) 8.200 5.333 ( 1.485 8.044 -0.973) 8.238 5.372 ( 1.925 11.123 3.468) 11.809 5.559 ( 1.121 -4.491 -0.189) 4.633 5.693 ( -0.584 -1.832 0.032) 1.923 5.708 ( -0.863 -4.901 -2.229) 5.452 5.749 ( 0.958 0.304 -0.545) 1.143 5.779 ( 0.886 -3.704 2.416) 4.510 5.805 ( 1.506 -1.782 1.253) 2.649 5.938 ( -1.292 -4.768 -2.040) 5.345 6.024 ( 0.906 -3.147 -0.093) 3.276 6.044 ( -0.685 -1.167 -0.041) 1.354 6.125 ( -1.513 -6.583 0.322) 6.762 6.170 ( -1.787 -5.344 -0.879) 5.703 6.250 ( 1.975 -0.734 1.915) 2.847 6.341 ( 2.368 -3.713 -1.795) 4.756 6.385 ( 1.874 -1.651 -0.233) 2.508 6.440 ( -1.000 -1.324 0.143) 1.665 6.461 ( -0.293 -0.772 0.505) 0.968 6.609 ( -2.385 -7.499 0.625) 7.894 7.399 ( 0.196 -0.617 0.007) 0.647 8.128 ( -0.072 -0.321 -0.096) 0.343 8.165 ( 0.133 -0.551 0.051) 0.569 8.217 ( 0.272 0.239 0.017) 0.362 ======================= Grid point 27 (18/77) ======================= q-point: ( 0.40 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -0.327 3.455 -1.226) 3.681 1.642 ( 0.068 4.752 0.758) 4.812 1.914 ( 11.172 9.921 0.649) 14.955 1.940 ( 5.031 2.142 3.191) 6.331 2.067 ( 0.545 1.885 -2.361) 3.070 2.276 ( -16.681 17.370 -1.828) 24.152 2.321 ( 4.672 5.003 0.545) 6.867 2.356 ( 4.452 3.809 0.090) 5.860 2.436 ( 4.359 -3.090 -0.150) 5.345 2.501 ( -3.180 3.571 2.411) 5.355 2.585 ( -2.793 1.715 -4.051) 5.211 2.595 ( -2.258 1.936 -2.285) 3.751 2.664 ( -6.438 3.619 0.891) 7.439 2.762 ( 10.350 -7.484 2.984) 13.116 2.846 ( 7.152 0.239 3.078) 7.790 2.902 ( 2.184 0.467 0.411) 2.271 2.945 ( 4.641 -3.283 -0.915) 5.758 3.023 ( -2.228 -2.108 0.281) 3.080 3.059 ( -0.672 1.502 1.594) 2.291 3.092 ( -5.670 -6.674 -1.015) 8.816 3.131 ( 0.718 1.314 -4.483) 4.726 3.198 ( -1.908 -0.816 2.741) 3.438 3.314 ( -4.276 -4.945 -2.453) 6.982 3.391 ( -1.149 -6.693 -0.430) 6.805 3.586 ( -10.186 -15.749 -0.269) 18.758 3.737 ( -5.178 -8.718 -0.674) 10.162 3.783 ( -6.511 -7.093 0.570) 9.645 3.888 ( -1.997 -4.032 2.331) 5.068 4.555 ( 5.519 14.967 0.471) 15.959 4.617 ( 2.956 12.181 0.494) 12.544 4.756 ( 3.570 9.656 -0.948) 10.338 4.835 ( 5.946 11.435 -1.138) 12.938 4.868 ( 0.504 9.959 0.467) 9.983 5.013 ( -0.864 8.906 0.077) 8.948 5.103 ( 0.861 10.482 0.295) 10.521 5.148 ( -2.713 6.856 0.450) 7.387 5.224 ( -0.466 9.264 -1.325) 9.370 5.372 ( 1.504 5.473 0.084) 5.676 5.413 ( 1.039 11.957 1.389) 12.082 5.598 ( 2.489 -5.571 0.503) 6.122 5.658 ( -2.443 -4.254 -1.096) 5.027 5.683 ( -0.832 -2.419 -0.689) 2.649 5.763 ( 0.363 -0.017 -0.635) 0.732 5.804 ( 0.594 -4.273 1.442) 4.549 5.848 ( 1.775 -2.765 1.074) 3.456 5.922 ( -0.014 -2.707 -1.034) 2.897 6.027 ( -0.324 -2.237 -0.388) 2.294 6.035 ( -0.287 -1.824 -0.297) 1.870 6.104 ( -0.127 -6.780 0.984) 6.853 6.129 ( -1.611 -5.353 -1.106) 5.699 6.286 ( 0.936 -1.507 1.051) 2.062 6.365 ( 0.540 -2.128 -1.692) 2.772 6.418 ( -0.840 -1.985 0.393) 2.191 6.447 ( 0.856 -1.732 -0.730) 2.065 6.474 ( 3.496 -4.394 1.446) 5.799 6.553 ( -3.104 -6.658 0.086) 7.346 7.403 ( 0.117 -0.358 0.011) 0.376 8.126 ( -0.049 0.020 -0.055) 0.077 8.170 ( 0.186 -0.541 0.039) 0.574 8.223 ( 0.189 0.373 -0.001) 0.419 ======================= Grid point 30 (19/77) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.000 0.009 0.000) 0.009 1.595 ( 0.000 0.000 0.000) 0.000 1.705 ( 0.000 0.008 0.000) 0.008 1.745 ( 0.000 0.001 0.000) 0.001 1.840 ( 0.000 0.001 0.000) 0.001 2.034 ( 0.000 0.002 0.000) 0.002 2.244 ( 0.000 0.001 0.000) 0.001 2.282 ( 0.000 0.002 0.000) 0.002 2.360 ( 0.000 0.002 0.000) 0.002 2.503 ( 0.000 0.001 0.000) 0.001 2.608 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.002 0.000) 0.002 2.785 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.002 0.000) 0.002 2.863 ( 0.000 0.001 0.000) 0.001 2.975 ( 0.000 -0.001 0.000) 0.001 3.020 ( 0.000 -0.000 0.000) 0.000 3.024 ( 0.000 -0.004 0.000) 0.004 3.067 ( 0.000 0.005 0.000) 0.005 3.145 ( 0.000 0.003 0.000) 0.003 3.214 ( 0.000 -0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.001 0.000) 0.001 3.602 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.002 0.000) 0.002 3.999 ( 0.000 0.001 0.000) 0.001 4.032 ( 0.000 0.002 0.000) 0.002 4.166 ( 0.000 0.001 0.000) 0.001 4.398 ( 0.000 0.004 0.000) 0.004 4.521 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.008 0.000) 0.008 4.671 ( 0.000 0.004 0.000) 0.004 4.888 ( 0.000 -0.002 0.000) 0.002 4.954 ( 0.000 0.009 0.000) 0.009 5.185 ( 0.000 0.005 0.000) 0.005 5.332 ( 0.000 0.003 0.000) 0.003 5.340 ( 0.000 0.003 0.000) 0.003 5.464 ( 0.000 0.005 0.000) 0.005 5.510 ( 0.000 0.016 0.000) 0.016 5.542 ( 0.000 0.011 0.000) 0.011 5.557 ( 0.000 -0.002 0.000) 0.002 5.579 ( 0.000 -0.013 0.000) 0.013 5.726 ( 0.000 -0.001 0.000) 0.001 5.784 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.025 0.000) 0.025 5.863 ( 0.000 -0.023 0.000) 0.023 5.976 ( 0.000 -0.001 0.000) 0.001 6.050 ( 0.000 -0.001 0.000) 0.001 6.068 ( 0.000 0.001 0.000) 0.001 6.121 ( 0.000 0.002 0.000) 0.002 6.216 ( 0.000 0.003 0.000) 0.003 6.266 ( 0.000 0.004 0.000) 0.004 6.363 ( 0.000 0.001 0.000) 0.001 6.456 ( 0.000 0.001 0.000) 0.001 6.460 ( 0.000 0.004 0.000) 0.004 6.520 ( 0.000 -0.003 0.000) 0.003 7.388 ( 0.000 0.001 0.000) 0.001 8.123 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 32 (20/77) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.019 0.007 -1.980) 1.980 1.658 ( 2.855 0.010 1.341) 3.154 1.799 ( 6.246 0.013 -1.990) 6.555 1.874 ( 12.258 -0.004 2.520) 12.514 1.927 ( 9.425 -0.003 5.065) 10.700 2.065 ( 2.350 0.001 -2.997) 3.808 2.277 ( 3.319 0.001 1.480) 3.634 2.296 ( 2.193 0.002 -1.018) 2.417 2.436 ( 6.768 0.001 -1.868) 7.021 2.560 ( 4.401 0.002 -1.197) 4.561 2.597 ( -0.188 -0.001 -1.417) 1.429 2.643 ( 0.709 0.003 3.413) 3.486 2.747 ( -7.253 0.002 4.228) 8.395 2.750 ( -3.246 -0.001 -3.137) 4.514 2.878 ( -0.333 0.001 1.554) 1.589 2.909 ( -5.592 0.001 1.932) 5.917 2.995 ( -1.060 -0.001 -4.032) 4.169 3.067 ( -5.106 0.001 -8.283) 9.730 3.085 ( 1.138 -0.000 -4.248) 4.398 3.121 ( 3.933 0.003 8.015) 8.928 3.195 ( -1.585 -0.000 3.228) 3.596 3.268 ( -2.614 0.001 -1.164) 2.861 3.299 ( -4.896 0.000 1.759) 5.203 3.486 ( -10.063 -0.000 -5.204) 11.329 3.755 ( -15.776 0.002 -2.792) 16.022 3.832 ( -10.824 0.006 4.445) 11.701 3.884 ( -11.575 -0.003 5.307) 12.734 3.945 ( -9.347 0.001 -2.535) 9.684 4.596 ( 10.243 0.008 2.969) 10.665 4.612 ( 6.000 -0.000 0.668) 6.037 4.738 ( 7.845 0.007 -2.259) 8.164 4.805 ( 8.858 0.001 -0.318) 8.864 4.947 ( 5.519 -0.006 0.673) 5.560 4.977 ( 2.080 0.012 -0.679) 2.188 5.194 ( 0.990 0.009 0.252) 1.022 5.298 ( -2.282 0.006 -1.807) 2.911 5.374 ( 2.765 0.004 0.700) 2.852 5.407 ( -3.063 -0.002 -3.401) 4.577 5.523 ( 1.501 0.012 -0.787) 1.694 5.555 ( 0.804 -0.003 -1.001) 1.285 5.597 ( 1.064 0.025 1.787) 2.080 5.605 ( 1.977 -0.016 3.731) 4.222 5.720 ( -0.407 -0.001 0.572) 0.702 5.783 ( -0.111 0.002 -2.155) 2.158 5.837 ( -1.605 0.084 1.368) 2.110 5.849 ( 2.519 -0.086 0.012) 2.521 5.991 ( 1.019 0.000 0.384) 1.089 6.017 ( -2.045 -0.001 -0.446) 2.093 6.066 ( -0.840 -0.000 -1.116) 1.397 6.101 ( -1.757 0.002 -0.039) 1.758 6.243 ( 1.910 -0.000 1.637) 2.515 6.288 ( 2.012 0.006 -0.963) 2.230 6.368 ( 0.700 0.002 -0.633) 0.944 6.444 ( -1.038 0.003 -1.376) 1.723 6.453 ( -0.647 0.001 2.112) 2.209 6.497 ( -1.976 -0.003 -0.059) 1.977 7.392 ( 0.339 0.001 0.030) 0.340 8.125 ( 0.111 -0.000 -0.000) 0.111 8.160 ( 0.180 0.000 -0.004) 0.180 8.220 ( 0.339 0.000 -0.017) 0.340 ======================= Grid point 34 (21/77) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.304 0.009 -0.793) 0.849 1.697 ( 0.683 0.013 0.868) 1.104 1.895 ( 2.925 0.002 0.841) 3.044 2.078 ( 0.135 0.001 -4.012) 4.014 2.216 ( 17.360 0.082 1.821) 17.456 2.241 ( 16.201 -0.073 4.549) 16.827 2.381 ( 5.012 0.002 0.226) 5.017 2.390 ( 5.890 0.001 3.103) 6.657 2.520 ( -1.505 0.001 -1.992) 2.497 2.534 ( -9.576 0.002 -0.650) 9.598 2.605 ( -5.777 -0.046 -3.376) 6.691 2.609 ( -2.500 0.055 -0.659) 2.586 2.679 ( -9.859 -0.003 -1.482) 9.970 2.725 ( 8.202 -0.003 0.162) 8.204 2.801 ( 8.639 0.001 4.405) 9.698 2.900 ( -1.289 0.002 -3.437) 3.670 2.931 ( 0.289 0.000 2.057) 2.077 2.960 ( -3.246 0.002 -1.864) 3.743 3.023 ( -6.423 -0.001 -0.293) 6.430 3.165 ( -10.771 0.004 -1.245) 10.843 3.190 ( 0.255 0.006 -1.433) 1.456 3.211 ( 1.957 -0.005 -0.464) 2.011 3.220 ( 1.216 0.003 1.855) 2.218 3.285 ( -3.045 -0.001 -0.571) 3.098 3.364 ( -16.327 0.001 0.183) 16.328 3.636 ( -8.012 0.001 0.373) 8.021 3.685 ( -4.082 0.001 1.294) 4.282 3.849 ( -1.960 0.000 1.099) 2.247 4.711 ( 2.620 0.008 0.151) 2.625 4.753 ( 3.869 0.004 0.695) 3.931 4.858 ( 3.094 0.004 -0.506) 3.135 4.946 ( 3.900 0.002 0.224) 3.907 5.016 ( 1.096 0.012 -0.596) 1.248 5.096 ( 7.030 -0.002 1.041) 7.106 5.214 ( 0.318 0.026 -0.374) 0.491 5.231 ( -3.971 -0.007 -1.567) 4.269 5.368 ( -0.025 0.004 -0.736) 0.736 5.454 ( 4.172 -0.002 1.476) 4.425 5.539 ( -2.321 0.020 -2.331) 3.289 5.551 ( 0.714 -0.013 -0.592) 0.928 5.621 ( 0.631 -0.007 1.571) 1.693 5.636 ( 0.891 0.010 1.505) 1.749 5.713 ( -0.623 0.006 0.499) 0.798 5.762 ( -0.833 0.005 -1.483) 1.701 5.836 ( 0.626 0.007 1.122) 1.285 5.912 ( 3.047 -0.009 -0.019) 3.047 5.976 ( -1.995 0.003 0.408) 2.036 6.013 ( 0.992 -0.005 -0.350) 1.051 6.037 ( -1.023 0.000 -1.166) 1.551 6.059 ( -1.809 0.001 0.449) 1.864 6.275 ( 0.608 -0.001 0.457) 0.760 6.333 ( 1.976 0.001 -1.024) 2.225 6.396 ( 1.996 0.008 0.071) 1.997 6.413 ( -1.496 0.000 0.650) 1.631 6.445 ( -0.276 0.004 0.190) 0.335 6.448 ( -2.366 -0.004 -0.180) 2.373 7.399 ( 0.205 0.001 0.022) 0.206 8.127 ( 0.079 -0.000 0.002) 0.080 8.164 ( 0.157 0.001 -0.005) 0.157 8.227 ( 0.246 0.000 -0.013) 0.247 ======================= Grid point 65 (22/77) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 3.994 0.000 21.027) 21.403 0.456 ( 0.023 0.000 21.904) 21.904 0.959 ( 3.148 0.000 45.876) 45.984 1.167 ( 1.092 0.000 -10.326) 10.383 1.202 ( -3.087 0.000 -14.929) 15.245 1.417 ( -1.286 0.000 1.524) 1.994 1.572 ( -5.065 0.000 -4.715) 6.920 1.620 ( 0.915 0.000 3.843) 3.950 1.874 ( 0.007 0.000 1.354) 1.354 2.084 ( 3.299 0.000 5.091) 6.067 2.241 ( 0.935 0.000 0.377) 1.008 2.279 ( -6.758 0.000 10.507) 12.493 2.442 ( 6.497 0.000 0.203) 6.500 2.475 ( 0.047 0.000 -0.207) 0.212 2.500 ( -0.990 0.000 -0.064) 0.992 2.586 ( 0.267 0.000 -0.423) 0.500 2.612 ( 0.220 0.000 -0.147) 0.264 2.720 ( -2.149 0.000 -23.480) 23.578 2.844 ( -3.461 0.000 -6.444) 7.314 2.951 ( 4.462 0.000 -7.083) 8.371 3.044 ( 0.028 0.000 -0.163) 0.166 3.066 ( 0.066 0.000 0.284) 0.292 3.111 ( -1.026 0.000 2.291) 2.510 3.190 ( -0.034 0.000 0.015) 0.037 3.211 ( 0.227 0.000 -6.293) 6.297 3.450 ( -0.005 0.000 -0.064) 0.064 3.735 ( -2.090 0.000 -4.153) 4.649 3.821 ( -10.208 0.000 2.726) 10.566 4.055 ( 16.238 0.000 2.967) 16.507 4.113 ( -1.080 0.000 2.430) 2.659 4.243 ( 12.662 0.000 -0.351) 12.667 4.459 ( -2.834 0.000 -0.100) 2.836 4.520 ( -13.952 0.000 3.975) 14.507 4.738 ( 1.054 0.000 -2.076) 2.328 4.868 ( -5.414 0.000 7.232) 9.034 5.093 ( 0.104 0.000 -0.878) 0.884 5.148 ( -4.152 0.000 -4.149) 5.869 5.309 ( -1.542 0.000 -1.956) 2.491 5.383 ( 7.728 0.000 3.499) 8.483 5.772 ( -0.259 0.000 0.039) 0.262 5.784 ( 0.295 0.000 -0.009) 0.295 5.786 ( 0.591 0.000 -0.844) 1.030 5.928 ( -0.068 0.000 -0.035) 0.077 6.056 ( 0.025 0.000 0.005) 0.026 6.085 ( -0.297 0.000 2.763) 2.779 6.182 ( -0.036 0.000 -0.081) 0.088 6.204 ( 0.033 0.000 0.049) 0.059 6.205 ( -1.980 0.000 0.228) 1.993 6.219 ( 0.007 0.000 0.047) 0.048 6.285 ( -0.414 0.000 1.649) 1.700 6.382 ( 2.485 0.000 -1.350) 2.828 6.416 ( 0.002 0.000 -0.012) 0.012 6.533 ( 0.315 0.000 -0.749) 0.812 6.745 ( 0.040 0.000 -1.459) 1.459 6.794 ( -0.469 0.000 0.801) 0.928 6.943 ( 26.018 0.000 -0.015) 26.018 7.504 ( 0.259 0.000 -0.213) 0.335 8.187 ( 0.047 0.000 -0.079) 0.092 8.214 ( 3.319 0.000 -0.305) 3.333 8.318 ( -0.336 0.000 0.433) 0.548 ======================= Grid point 66 (23/77) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 20.395 0.000 13.724) 24.583 0.867 ( 25.154 0.000 11.868) 27.813 1.261 ( 11.006 0.000 -12.730) 16.828 1.272 ( 10.735 0.000 -8.624) 13.770 1.336 ( 17.461 0.000 23.991) 29.673 1.486 ( 7.858 0.000 8.396) 11.499 1.728 ( 19.200 0.000 1.118) 19.233 1.749 ( 10.014 0.000 2.549) 10.333 1.904 ( 1.642 0.000 1.609) 2.299 2.057 ( -1.365 0.000 6.618) 6.757 2.167 ( -8.526 0.000 -2.533) 8.894 2.258 ( 0.999 0.000 8.582) 8.640 2.383 ( -6.007 0.000 3.802) 7.109 2.466 ( -3.555 0.000 -2.327) 4.248 2.503 ( -1.870 0.000 4.977) 5.316 2.520 ( -4.181 0.000 -10.649) 11.441 2.567 ( -4.351 0.000 0.155) 4.354 2.692 ( 1.247 0.000 -15.850) 15.899 2.754 ( -1.439 0.000 -8.112) 8.238 2.959 ( -1.604 0.000 -5.046) 5.295 2.993 ( -5.373 0.000 -1.924) 5.707 3.040 ( -0.546 0.000 -0.283) 0.615 3.058 ( -0.714 0.000 0.310) 0.778 3.168 ( -6.579 0.000 -1.175) 6.683 3.198 ( 0.806 0.000 0.009) 0.806 3.422 ( -15.374 0.000 1.175) 15.419 3.438 ( -0.931 0.000 -0.038) 0.932 3.753 ( -6.594 0.000 -5.009) 8.281 3.793 ( -14.535 0.000 1.508) 14.613 4.170 ( -2.538 0.000 3.241) 4.116 4.259 ( -12.562 0.000 -8.777) 15.325 4.474 ( 8.850 0.000 3.529) 9.527 4.631 ( 13.552 0.000 4.594) 14.310 4.763 ( 7.543 0.000 2.271) 7.877 4.961 ( 5.854 0.000 6.011) 8.390 5.035 ( -0.221 0.000 -1.380) 1.398 5.190 ( 2.992 0.000 -0.918) 3.129 5.332 ( 2.715 0.000 0.259) 2.728 5.434 ( 0.746 0.000 -1.415) 1.600 5.775 ( 0.430 0.000 0.240) 0.492 5.801 ( 1.183 0.000 -0.265) 1.212 5.813 ( 1.697 0.000 -0.401) 1.744 5.938 ( 0.915 0.000 0.034) 0.915 6.053 ( -0.375 0.000 0.011) 0.375 6.110 ( 1.489 0.000 2.409) 2.832 6.184 ( 0.078 0.000 -0.036) 0.085 6.200 ( 0.034 0.000 0.313) 0.315 6.200 ( 1.266 0.000 1.839) 2.233 6.233 ( 1.228 0.000 0.046) 1.229 6.285 ( 0.480 0.000 -1.365) 1.447 6.407 ( -0.753 0.000 -0.012) 0.753 6.444 ( 3.822 0.000 -0.077) 3.822 6.546 ( 0.763 0.000 -0.339) 0.835 6.691 ( -1.792 0.000 -3.037) 3.527 6.719 ( -4.397 0.000 4.609) 6.370 6.741 ( -3.825 0.000 1.582) 4.139 7.499 ( -0.260 0.000 -0.058) 0.266 8.184 ( -0.244 0.000 -0.241) 0.343 8.204 ( -0.762 0.000 -1.135) 1.367 8.318 ( -0.110 0.000 1.488) 1.492 ======================= Grid point 67 (24/77) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 14.799 0.000 12.356) 19.279 1.269 ( -4.735 0.000 1.199) 4.885 1.383 ( 20.220 0.000 3.850) 20.583 1.555 ( 15.755 0.000 -4.452) 16.372 1.661 ( 15.723 0.000 -1.221) 15.770 1.808 ( -14.102 0.000 1.737) 14.208 1.953 ( -3.751 0.000 -2.142) 4.319 1.990 ( 27.310 0.000 15.058) 31.186 2.017 ( 9.804 0.000 0.296) 9.808 2.061 ( 0.969 0.000 -4.110) 4.222 2.193 ( 6.244 0.000 7.959) 10.116 2.242 ( -9.282 0.000 1.176) 9.356 2.300 ( 3.434 0.000 5.522) 6.503 2.385 ( -1.650 0.000 -0.124) 1.655 2.394 ( -4.806 0.000 -4.982) 6.922 2.448 ( -0.035 0.000 4.436) 4.437 2.453 ( -5.106 0.000 -0.115) 5.108 2.558 ( -14.589 0.000 2.332) 14.774 2.645 ( -6.799 0.000 2.279) 7.170 2.825 ( -10.696 0.000 -2.712) 11.035 2.958 ( 0.686 0.000 -7.287) 7.320 3.013 ( 4.879 0.000 -10.028) 11.152 3.025 ( -0.450 0.000 -0.246) 0.513 3.045 ( -0.458 0.000 0.221) 0.508 3.216 ( 0.590 0.000 -0.005) 0.590 3.254 ( -4.380 0.000 0.452) 4.403 3.420 ( -0.506 0.000 0.014) 0.506 3.496 ( -3.494 0.000 -12.402) 12.884 3.690 ( -6.404 0.000 -6.825) 9.359 4.021 ( -6.224 0.000 -7.439) 9.700 4.109 ( -3.298 0.000 4.693) 5.736 4.647 ( 4.499 0.000 7.713) 8.929 4.821 ( 2.911 0.000 5.021) 5.804 4.906 ( 4.906 0.000 0.981) 5.003 5.051 ( 2.309 0.000 1.502) 2.754 5.100 ( 4.680 0.000 1.302) 4.857 5.225 ( 0.897 0.000 0.583) 1.069 5.382 ( 1.208 0.000 -0.203) 1.225 5.439 ( -0.519 0.000 -3.314) 3.354 5.785 ( 0.344 0.000 0.479) 0.590 5.822 ( 0.586 0.000 -0.620) 0.853 5.830 ( -0.336 0.000 -0.958) 1.015 5.960 ( 0.897 0.000 0.204) 0.920 6.042 ( -0.477 0.000 -0.008) 0.477 6.156 ( 2.410 0.000 4.602) 5.195 6.183 ( -0.051 0.000 0.022) 0.056 6.196 ( -0.097 0.000 -0.068) 0.118 6.236 ( -0.088 0.000 2.053) 2.055 6.261 ( 1.003 0.000 0.007) 1.003 6.315 ( 3.044 0.000 -1.029) 3.214 6.389 ( -0.689 0.000 -0.011) 0.689 6.512 ( 1.814 0.000 -2.853) 3.380 6.561 ( 0.595 0.000 -0.159) 0.616 6.628 ( -3.219 0.000 -1.146) 3.417 6.708 ( -0.832 0.000 -1.889) 2.064 6.735 ( 2.291 0.000 1.693) 2.849 7.495 ( 0.008 0.000 0.106) 0.106 8.181 ( 0.138 0.000 -1.425) 1.432 8.186 ( -0.752 0.000 -0.891) 1.166 8.322 ( 0.076 0.000 2.016) 2.018 ======================= Grid point 68 (25/77) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -15.162 0.000 11.921) 19.287 1.303 ( -25.516 0.000 1.893) 25.586 1.581 ( 3.887 0.000 8.479) 9.328 1.672 ( -0.441 0.000 -3.820) 3.845 1.776 ( -15.624 0.000 -6.602) 16.962 1.782 ( -2.965 0.000 3.177) 4.346 1.873 ( -29.012 0.000 6.051) 29.636 1.944 ( 2.907 0.000 -1.907) 3.476 1.946 ( 3.246 0.000 5.224) 6.150 2.031 ( -6.506 0.000 -6.777) 9.394 2.052 ( 1.236 0.000 -0.717) 1.429 2.173 ( 2.752 0.000 1.699) 3.234 2.224 ( -13.449 0.000 6.902) 15.117 2.415 ( 5.943 0.000 0.132) 5.944 2.449 ( 3.542 0.000 -0.227) 3.549 2.482 ( -2.570 0.000 11.440) 11.725 2.510 ( 7.287 0.000 1.818) 7.510 2.628 ( 7.207 0.000 2.875) 7.760 2.743 ( 11.692 0.000 -1.874) 11.842 2.812 ( 14.415 0.000 2.286) 14.595 2.981 ( 8.668 0.000 -4.305) 9.678 3.026 ( 0.528 0.000 -0.275) 0.596 3.043 ( 0.304 0.000 0.249) 0.394 3.103 ( 1.507 0.000 -3.403) 3.722 3.216 ( -0.552 0.000 -0.004) 0.552 3.360 ( 14.276 0.000 -8.692) 16.714 3.400 ( -5.575 0.000 -14.890) 15.899 3.421 ( 0.526 0.000 0.014) 0.527 3.586 ( 3.298 0.000 -12.291) 12.726 3.939 ( -1.783 0.000 -2.058) 2.723 4.063 ( -1.844 0.000 7.338) 7.567 4.666 ( -4.480 0.000 2.667) 5.214 4.848 ( 0.311 0.000 8.072) 8.078 4.969 ( -0.593 0.000 -0.215) 0.631 5.028 ( -3.472 0.000 0.680) 3.538 5.171 ( -0.068 0.000 3.073) 3.073 5.235 ( -0.052 0.000 2.840) 2.841 5.355 ( -5.358 0.000 -2.712) 6.005 5.398 ( -0.487 0.000 -3.958) 3.987 5.787 ( -0.244 0.000 0.570) 0.620 5.809 ( -1.067 0.000 -0.081) 1.070 5.818 ( -0.742 0.000 -0.707) 1.024 5.963 ( -0.779 0.000 0.202) 0.804 6.041 ( 0.412 0.000 -0.010) 0.412 6.177 ( -2.140 0.000 2.510) 3.298 6.184 ( 0.114 0.000 0.026) 0.117 6.196 ( 0.076 0.000 -0.072) 0.105 6.250 ( 1.469 0.000 3.936) 4.201 6.260 ( -1.048 0.000 0.007) 1.048 6.359 ( 0.150 0.000 -0.656) 0.673 6.389 ( 0.692 0.000 -0.011) 0.692 6.478 ( -3.882 0.000 -0.237) 3.889 6.540 ( -3.838 0.000 -5.905) 7.043 6.566 ( -1.308 0.000 0.182) 1.321 6.714 ( 2.844 0.000 1.665) 3.296 6.766 ( 0.170 0.000 -0.836) 0.853 7.503 ( 0.604 0.000 0.100) 0.613 8.166 ( -0.422 0.000 -1.360) 1.424 8.191 ( 0.641 0.000 -0.748) 0.985 8.329 ( 0.172 0.000 1.807) 1.815 ======================= Grid point 69 (26/77) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -17.719 0.000 16.384) 24.133 0.742 ( -26.727 0.000 7.997) 27.898 1.136 ( -26.288 0.000 27.686) 38.178 1.343 ( -16.591 0.000 -8.922) 18.838 1.419 ( -13.117 0.000 -11.296) 17.311 1.629 ( -16.144 0.000 0.270) 16.146 1.689 ( -7.285 0.000 5.378) 9.055 1.836 ( -13.156 0.000 -3.892) 13.720 1.904 ( -2.503 0.000 1.445) 2.890 1.939 ( 4.792 0.000 11.133) 12.121 2.163 ( 5.713 0.000 -2.540) 6.252 2.250 ( 11.109 0.000 -2.243) 11.333 2.353 ( 9.543 0.000 2.624) 9.897 2.411 ( -6.311 0.000 11.943) 13.508 2.506 ( 1.854 0.000 -1.322) 2.277 2.557 ( 4.926 0.000 0.345) 4.938 2.567 ( 0.925 0.000 0.873) 1.272 2.755 ( 3.175 0.000 -7.589) 8.226 2.881 ( 2.904 0.000 -7.449) 7.995 2.909 ( 1.018 0.000 -5.759) 5.848 3.040 ( 0.578 0.000 -0.328) 0.664 3.056 ( 0.650 0.000 0.354) 0.740 3.072 ( 0.459 0.000 -7.043) 7.058 3.199 ( -0.811 0.000 0.010) 0.811 3.251 ( -3.142 0.000 -10.362) 10.828 3.438 ( 0.928 0.000 -0.038) 0.928 3.513 ( 27.756 0.000 8.698) 29.087 3.671 ( 9.992 0.000 -5.195) 11.262 3.804 ( 19.473 0.000 -8.941) 21.427 3.918 ( 0.575 0.000 1.073) 1.217 4.100 ( 3.221 0.000 7.173) 7.863 4.529 ( -5.305 0.000 1.148) 5.427 4.769 ( -11.375 0.000 1.441) 11.466 4.847 ( -8.195 0.000 -1.052) 8.262 4.966 ( -3.789 0.000 7.877) 8.741 5.143 ( -4.040 0.000 -1.511) 4.313 5.212 ( -4.771 0.000 -4.868) 6.817 5.253 ( 2.592 0.000 6.884) 7.356 5.371 ( -1.855 0.000 -2.972) 3.503 5.780 ( -0.467 0.000 0.427) 0.632 5.792 ( -0.608 0.000 -0.196) 0.638 5.795 ( -1.098 0.000 -0.450) 1.186 5.941 ( -1.013 0.000 0.033) 1.013 6.052 ( 0.416 0.000 0.011) 0.417 6.121 ( -3.084 0.000 2.873) 4.215 6.185 ( -0.092 0.000 -0.040) 0.101 6.199 ( 0.234 0.000 -0.011) 0.234 6.232 ( -1.211 0.000 0.047) 1.212 6.251 ( -1.889 0.000 1.370) 2.333 6.324 ( -3.441 0.000 -1.469) 3.742 6.364 ( -2.791 0.000 -0.387) 2.818 6.407 ( 0.753 0.000 -0.012) 0.754 6.516 ( 2.151 0.000 2.558) 3.342 6.543 ( -0.945 0.000 -0.489) 1.064 6.748 ( -0.492 0.000 -1.111) 1.215 6.820 ( 5.120 0.000 2.254) 5.595 7.513 ( 0.085 0.000 -0.090) 0.124 8.169 ( 0.955 0.000 -0.467) 1.063 8.197 ( -0.033 0.000 -0.534) 0.535 8.332 ( -0.374 0.000 1.130) 1.190 ======================= Grid point 70 (27/77) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.487 20.085 17.054) 26.466 0.809 ( -2.073 25.611 12.408) 28.534 1.221 ( 7.087 26.040 23.651) 35.884 1.293 ( 4.996 12.281 -6.068) 14.581 1.428 ( -5.617 16.852 -5.916) 18.723 1.525 ( -5.493 10.627 -0.627) 11.979 1.671 ( -2.324 9.950 -2.645) 10.555 1.831 ( 2.029 18.358 4.491) 19.008 2.013 ( 1.971 10.464 1.430) 10.743 2.119 ( 0.985 5.859 5.628) 8.183 2.245 ( -6.443 -1.690 7.134) 9.760 2.294 ( 2.186 2.920 -0.508) 3.683 2.420 ( 1.107 0.585 1.421) 1.893 2.526 ( -2.922 1.705 0.437) 3.412 2.556 ( 0.352 2.114 -3.561) 4.156 2.586 ( -0.304 1.858 1.982) 2.734 2.610 ( 2.721 1.374 -1.488) 3.392 2.770 ( -1.118 4.390 -18.329) 18.880 2.883 ( -3.747 3.147 -2.682) 5.580 2.933 ( 3.314 -0.628 -6.672) 7.476 3.037 ( 0.694 -3.069 0.061) 3.148 3.076 ( 0.654 2.105 -1.194) 2.507 3.088 ( -0.652 -0.730 -2.121) 2.336 3.192 ( 0.006 0.288 -0.433) 0.520 3.238 ( -0.696 2.748 -6.099) 6.726 3.366 ( 0.760 -7.093 -0.432) 7.146 3.746 ( -1.613 1.109 -4.569) 4.971 3.837 ( -7.636 1.911 1.526) 8.018 4.042 ( 11.134 -0.424 3.096) 11.564 4.126 ( 0.647 1.258 4.174) 4.407 4.245 ( 12.275 0.444 1.126) 12.334 4.431 ( -5.158 -1.045 -0.005) 5.263 4.518 ( -8.667 0.810 4.947) 10.012 4.702 ( -1.211 -1.723 -1.561) 2.622 4.864 ( -2.332 0.058 6.829) 7.217 5.048 ( -1.631 -2.798 -2.284) 3.963 5.105 ( -0.911 -2.600 -0.850) 2.883 5.267 ( -0.832 -3.858 -1.287) 4.152 5.321 ( 4.580 -3.988 4.014) 7.280 5.735 ( 0.617 -3.760 -0.604) 3.857 5.813 ( -0.498 2.816 0.040) 2.860 5.826 ( 0.453 3.008 0.037) 3.042 5.949 ( -0.258 1.413 -0.403) 1.492 6.046 ( -0.499 -2.365 1.906) 3.078 6.099 ( -0.187 0.292 0.246) 0.425 6.168 ( -0.964 -1.631 -0.902) 2.098 6.207 ( -0.372 -0.023 1.303) 1.355 6.236 ( -0.048 -0.054 0.187) 0.201 6.260 ( -0.493 1.231 -0.267) 1.353 6.297 ( -1.064 2.311 -2.091) 3.293 6.355 ( 2.433 -2.003 -1.182) 3.365 6.452 ( 0.369 0.721 -1.361) 1.584 6.520 ( 0.521 -1.056 -0.390) 1.241 6.716 ( 0.019 -2.710 -1.396) 3.048 6.799 ( -6.324 -1.836 3.387) 7.405 6.975 ( 18.605 2.320 -5.986) 19.681 7.496 ( 0.134 -0.779 -0.166) 0.808 8.182 ( -0.026 -0.496 -0.072) 0.502 8.206 ( 1.874 -0.418 0.360) 1.953 8.300 ( -0.688 -1.573 0.285) 1.740 ======================= Grid point 71 (28/77) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 9.942 8.845 13.533) 18.979 1.067 ( 13.229 10.899 21.704) 27.656 1.293 ( 4.258 8.091 -9.381) 13.100 1.416 ( -1.829 6.816 -2.154) 7.378 1.516 ( 9.997 10.419 -2.046) 14.583 1.692 ( 8.369 9.290 -0.887) 12.535 1.755 ( 23.249 23.687 17.594) 37.565 2.004 ( 0.722 9.814 3.272) 10.370 2.066 ( -0.322 6.987 2.225) 7.340 2.102 ( 7.397 12.603 1.442) 14.684 2.161 ( -10.116 -1.453 -0.028) 10.220 2.245 ( 2.464 2.451 4.858) 5.973 2.400 ( -5.489 2.081 3.629) 6.901 2.434 ( -5.075 -0.907 -2.121) 5.575 2.467 ( -1.338 -0.501 -0.907) 1.692 2.589 ( -2.041 2.331 1.264) 3.346 2.631 ( -1.368 4.341 -0.007) 4.552 2.767 ( 4.475 6.658 -18.148) 19.842 2.798 ( -2.200 4.929 -5.103) 7.427 2.957 ( 0.087 -0.052 -4.787) 4.788 3.018 ( -3.941 2.183 -1.352) 4.704 3.039 ( -0.897 0.148 -0.439) 1.009 3.077 ( -0.064 2.743 -1.348) 3.057 3.188 ( -0.925 1.610 -1.784) 2.574 3.228 ( 0.607 1.474 -0.812) 1.789 3.370 ( -0.881 -2.872 -1.698) 3.451 3.521 ( -13.897 8.266 -0.751) 16.187 3.770 ( -1.736 1.406 -1.803) 2.871 3.898 ( -13.924 8.035 0.392) 16.081 4.163 ( -1.662 -0.789 3.272) 3.754 4.267 ( -11.243 0.991 -10.795) 15.618 4.442 ( 8.282 -2.705 6.331) 10.769 4.609 ( 10.777 -1.726 4.418) 11.774 4.741 ( 6.261 -2.076 1.278) 6.718 4.936 ( 4.320 -1.952 6.353) 7.927 5.020 ( 0.441 -1.205 -1.194) 1.753 5.141 ( 2.027 -4.385 -0.821) 4.901 5.293 ( 2.966 -3.650 0.091) 4.704 5.380 ( 1.354 -4.367 -1.188) 4.724 5.772 ( 2.141 -3.216 -0.339) 3.878 5.817 ( 0.666 3.423 0.298) 3.500 5.844 ( 1.132 3.129 -0.252) 3.337 5.952 ( 0.731 0.740 -0.067) 1.043 6.066 ( 1.339 -0.444 2.266) 2.669 6.101 ( 0.700 0.112 0.031) 0.709 6.146 ( -0.819 -2.278 1.018) 2.626 6.200 ( -0.559 0.267 0.686) 0.924 6.237 ( -0.541 -1.943 -0.290) 2.038 6.253 ( -0.101 2.269 -0.685) 2.373 6.285 ( 2.400 2.422 -1.040) 3.565 6.409 ( 2.679 -2.916 -0.983) 4.080 6.453 ( -0.047 2.321 -0.153) 2.327 6.536 ( 0.805 -0.741 -0.041) 1.095 6.669 ( -3.503 -2.112 -2.344) 4.714 6.696 ( -1.871 -2.378 0.312) 3.042 6.729 ( -9.298 0.246 5.003) 10.561 7.489 ( -0.398 -0.876 -0.033) 0.963 8.177 ( -0.248 -0.641 -0.198) 0.716 8.201 ( -0.832 -0.193 -0.997) 1.313 8.300 ( 0.065 -1.663 1.291) 2.107 ======================= Grid point 72 (29/77) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 21.749 -6.141 7.901) 23.941 1.272 ( -9.254 1.257 1.851) 9.521 1.401 ( 14.789 4.076 7.368) 17.018 1.510 ( 12.804 -0.294 3.369) 13.243 1.693 ( -15.404 -6.014 6.200) 17.661 1.805 ( 8.486 2.450 -0.240) 8.836 1.892 ( 1.379 0.853 -3.538) 3.892 1.930 ( 0.025 -0.479 -0.602) 0.769 2.069 ( -0.651 2.392 4.634) 5.255 2.107 ( -5.381 -0.410 -3.575) 6.473 2.182 ( -10.837 -5.116 0.227) 11.986 2.356 ( 9.469 8.039 7.203) 14.359 2.403 ( 15.774 18.812 6.308) 25.347 2.452 ( 0.602 7.786 4.406) 8.967 2.515 ( -2.696 6.251 -4.135) 7.965 2.597 ( 0.161 7.483 0.023) 7.485 2.606 ( 14.140 13.650 1.805) 19.737 2.705 ( -4.041 8.332 2.805) 9.676 2.743 ( -14.460 14.922 -2.816) 20.969 2.904 ( -5.070 6.336 -3.415) 8.804 2.966 ( 0.407 1.654 -5.199) 5.471 3.026 ( 3.721 2.846 -5.555) 7.266 3.075 ( -0.176 4.363 -0.666) 4.417 3.126 ( -2.666 5.616 -1.426) 6.378 3.242 ( -0.372 2.860 -0.595) 2.944 3.274 ( 0.093 3.790 -1.212) 3.980 3.422 ( 1.505 0.922 -5.817) 6.079 3.623 ( -7.016 10.199 -5.750) 13.649 3.722 ( -6.425 3.330 -5.513) 9.097 4.024 ( -6.231 0.470 -7.214) 9.544 4.126 ( -3.277 1.699 3.840) 5.327 4.604 ( 4.406 -3.942 7.283) 9.381 4.768 ( 3.068 -4.848 5.521) 7.963 4.871 ( 4.730 -3.799 -0.224) 6.071 5.005 ( 1.041 -3.865 2.275) 4.605 5.072 ( 3.554 -2.422 2.087) 4.781 5.166 ( 0.840 -5.281 0.384) 5.361 5.345 ( 1.234 -3.390 -0.562) 3.651 5.390 ( -0.338 -4.153 -3.613) 5.515 5.792 ( -0.263 -3.053 -0.682) 3.139 5.831 ( 0.414 3.868 0.772) 3.966 5.866 ( 0.676 3.472 -0.579) 3.584 5.978 ( 1.340 1.084 0.965) 1.976 6.070 ( -0.870 2.113 -0.287) 2.304 6.130 ( 2.054 -1.898 4.012) 4.891 6.176 ( 1.340 -1.970 1.616) 2.879 6.197 ( 0.023 0.985 0.429) 1.074 6.225 ( 0.142 -3.699 -0.631) 3.755 6.261 ( 0.423 2.048 -0.187) 2.100 6.339 ( 2.053 1.721 -1.241) 2.952 6.423 ( -0.310 2.362 -0.333) 2.405 6.474 ( 1.407 -2.755 -2.271) 3.838 6.554 ( 0.675 -0.710 -0.012) 0.980 6.593 ( -3.727 -3.033 -1.771) 5.121 6.674 ( -0.988 -2.935 -0.847) 3.211 6.693 ( 1.827 -3.490 1.831) 4.344 7.483 ( -0.078 -1.075 0.070) 1.080 8.174 ( 0.062 -0.774 -0.305) 0.835 8.182 ( -0.671 -0.100 -1.746) 1.873 8.305 ( 0.092 -1.580 1.786) 2.387 ======================= Grid point 73 (30/77) ======================= q-point: (-0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -16.758 0.359 7.657) 18.428 1.206 ( -20.594 -1.730 12.839) 24.330 1.493 ( -3.192 -5.905 0.941) 6.778 1.650 ( 1.941 -3.681 -3.863) 5.678 1.728 ( 11.101 2.144 -2.348) 11.547 1.813 ( -6.975 -3.065 1.424) 7.751 1.906 ( 3.860 0.995 4.657) 6.130 1.958 ( 2.042 -3.923 8.657) 9.721 2.036 ( 0.900 2.310 -1.150) 2.733 2.134 ( -3.456 15.126 -3.109) 15.824 2.172 ( 5.833 0.957 -0.487) 5.931 2.216 ( -17.631 19.833 1.672) 26.589 2.328 ( -4.367 6.490 -0.521) 7.840 2.434 ( -3.598 5.074 8.926) 10.879 2.489 ( 0.881 5.346 0.653) 5.457 2.579 ( -1.435 3.230 2.178) 4.152 2.629 ( -9.188 12.399 2.681) 15.664 2.715 ( 4.282 6.351 -3.224) 8.311 2.837 ( 6.897 6.328 -1.473) 9.476 2.923 ( 3.506 8.016 -2.051) 8.986 3.029 ( 4.216 4.596 0.272) 6.242 3.073 ( 4.479 4.618 -0.290) 6.440 3.094 ( 6.254 6.065 0.909) 8.759 3.127 ( 1.443 2.624 -0.493) 3.035 3.252 ( 1.854 4.855 -1.096) 5.311 3.363 ( 4.110 1.425 -4.481) 6.246 3.442 ( -4.923 5.556 -15.667) 17.337 3.552 ( 10.406 9.086 -4.601) 14.561 3.630 ( 2.802 5.009 -8.513) 10.267 3.942 ( -1.959 0.414 -2.490) 3.195 4.077 ( -2.073 1.380 7.289) 7.703 4.625 ( -3.634 -3.805 2.654) 5.893 4.813 ( 0.480 -3.472 7.846) 8.593 4.913 ( -1.794 -5.655 -1.071) 6.029 4.987 ( -2.171 -3.495 1.107) 4.261 5.119 ( -0.133 -4.814 3.611) 6.019 5.185 ( 0.297 -4.290 2.580) 5.015 5.314 ( -4.730 -3.596 -2.806) 6.571 5.359 ( -0.699 -3.316 -4.041) 5.274 5.773 ( -1.079 -3.052 -0.036) 3.237 5.834 ( -0.319 3.848 0.744) 3.932 5.864 ( -0.677 3.897 -0.531) 3.991 5.991 ( -0.639 2.048 0.810) 2.294 6.057 ( -0.088 0.826 0.145) 0.844 6.152 ( -2.529 -1.887 0.741) 3.241 6.188 ( 1.843 -1.761 3.935) 4.689 6.202 ( 0.310 1.384 0.488) 1.500 6.246 ( 0.597 -0.594 0.521) 0.990 6.266 ( -0.194 0.165 0.292) 0.387 6.338 ( -1.439 -1.671 -2.495) 3.330 6.413 ( -1.775 1.197 -0.701) 2.253 6.474 ( -1.252 0.754 0.896) 1.714 6.505 ( -2.694 -3.249 -4.825) 6.411 6.553 ( -0.725 -0.620 -0.337) 1.012 6.682 ( 2.576 -2.831 1.975) 4.308 6.724 ( 0.454 -3.727 -0.651) 3.811 7.489 ( 0.587 -1.195 0.066) 1.332 8.163 ( -0.331 -0.256 -0.928) 1.018 8.185 ( 0.586 -0.517 -0.936) 1.219 8.311 ( 0.149 -1.644 1.600) 2.299 ======================= Grid point 74 (31/77) ======================= q-point: (-0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -7.625 13.995 13.168) 20.674 0.925 ( -10.005 10.020 23.904) 27.784 1.278 ( -5.335 3.499 -9.148) 11.153 1.505 ( -22.870 24.056 5.666) 33.673 1.632 ( -13.277 10.644 3.591) 17.392 1.693 ( -9.582 10.470 -5.086) 15.076 1.793 ( -4.847 5.422 -3.479) 8.062 1.908 ( -4.571 8.150 5.991) 11.100 1.977 ( 2.390 7.699 6.306) 10.235 2.102 ( -1.603 8.543 1.063) 8.757 2.196 ( -1.184 10.305 -3.862) 11.068 2.329 ( 9.727 2.665 0.998) 10.135 2.366 ( 9.791 3.496 3.869) 11.093 2.411 ( -7.642 0.767 10.699) 13.170 2.519 ( 6.192 -1.830 0.699) 6.494 2.540 ( 1.883 2.221 -1.793) 3.420 2.606 ( 0.608 2.973 0.319) 3.051 2.790 ( 2.693 2.753 -6.075) 7.193 2.884 ( 1.335 0.337 -6.130) 6.282 2.956 ( 0.593 3.591 -3.300) 4.913 3.044 ( -0.251 1.131 -2.811) 3.040 3.066 ( -1.859 1.945 -3.140) 4.135 3.101 ( -1.435 1.892 -4.141) 4.774 3.191 ( -0.154 0.096 -0.905) 0.923 3.282 ( -2.210 2.902 -10.426) 11.046 3.339 ( 2.055 -4.772 -0.451) 5.215 3.652 ( 18.527 9.819 6.931) 22.084 3.733 ( 6.770 4.217 -9.765) 12.608 3.880 ( 16.671 7.367 -2.754) 18.433 3.908 ( 0.103 -0.544 0.330) 0.645 4.101 ( 2.591 0.372 6.909) 7.388 4.519 ( -4.520 -1.108 1.415) 4.864 4.729 ( -10.077 -3.577 2.062) 10.890 4.809 ( -6.731 -3.411 -1.346) 7.664 4.939 ( -3.475 -2.386 6.893) 8.080 5.105 ( -3.004 -3.195 -0.775) 4.453 5.178 ( -3.571 -3.108 -3.795) 6.068 5.216 ( 1.556 -3.192 5.893) 6.880 5.322 ( -2.351 -4.014 -3.018) 5.545 5.750 ( -1.231 -3.496 -0.173) 3.710 5.824 ( -0.581 3.295 0.474) 3.379 5.840 ( -1.325 3.656 -0.520) 3.923 5.967 ( -1.302 2.070 -0.082) 2.447 6.058 ( -0.283 -1.553 1.542) 2.207 6.107 ( -1.348 -0.152 1.139) 1.771 6.195 ( -0.925 -0.203 0.160) 0.960 6.222 ( -0.195 -1.694 1.740) 2.436 6.244 ( -0.758 0.026 0.041) 0.760 6.259 ( 2.066 3.525 -1.356) 4.305 6.297 ( -2.079 -1.395 -1.661) 3.005 6.336 ( -2.618 -1.075 -0.340) 2.851 6.444 ( 0.307 0.303 -1.752) 1.804 6.520 ( 0.699 -0.766 0.854) 1.344 6.549 ( 3.902 3.682 1.803) 5.660 6.718 ( -0.241 -2.758 -0.983) 2.938 6.784 ( 5.351 -3.127 2.484) 6.677 7.500 ( 0.203 -1.117 -0.065) 1.137 8.169 ( 0.928 -0.087 -0.304) 0.980 8.190 ( 0.075 -0.537 -0.556) 0.777 8.313 ( -0.344 -1.699 0.967) 1.985 ======================= Grid point 75 (32/77) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 2.127 15.722 20.311) 25.772 1.390 ( -7.473 28.363 4.528) 29.678 1.584 ( 5.312 13.959 -0.536) 14.946 1.679 ( -3.025 12.089 0.046) 12.462 1.844 ( -8.385 16.469 -8.888) 20.506 1.893 ( 5.386 24.519 4.723) 25.544 1.971 ( 1.320 22.063 6.661) 23.084 2.126 ( 3.379 5.734 2.735) 7.196 2.240 ( -4.112 4.992 5.478) 8.476 2.270 ( 5.540 14.885 6.360) 17.108 2.334 ( 2.935 3.653 -4.038) 6.186 2.430 ( -5.808 15.913 -1.017) 16.970 2.454 ( -8.792 0.672 3.355) 9.434 2.531 ( -0.162 2.601 -1.240) 2.886 2.587 ( -4.731 3.335 -1.856) 6.078 2.621 ( -0.355 2.163 3.728) 4.325 2.678 ( 11.006 1.790 4.267) 11.939 2.851 ( 2.297 1.034 -7.065) 7.500 2.896 ( 0.701 0.075 -0.013) 0.705 2.972 ( -1.311 1.186 -3.054) 3.529 2.987 ( 0.817 -0.267 -5.067) 5.139 3.103 ( 0.983 1.029 -6.809) 6.956 3.139 ( -2.211 5.774 -5.878) 8.531 3.188 ( -0.430 -3.449 -1.532) 3.798 3.222 ( 1.167 0.591 -1.677) 2.127 3.340 ( -0.050 5.819 -8.243) 10.090 3.788 ( -0.957 3.287 -4.876) 5.958 3.894 ( -1.075 2.993 -0.075) 3.182 4.057 ( 2.982 1.676 1.732) 3.835 4.148 ( -0.664 1.356 1.218) 1.940 4.263 ( 6.184 1.384 2.816) 6.934 4.423 ( -1.954 -0.006 1.019) 2.204 4.580 ( -1.999 5.148 4.420) 7.074 4.696 ( -1.827 1.267 -0.281) 2.241 4.881 ( -0.069 1.830 4.832) 5.168 5.001 ( -1.301 -1.505 -2.135) 2.918 5.050 ( -1.369 -2.401 -0.141) 2.767 5.167 ( -0.796 -5.113 -0.949) 5.261 5.233 ( 3.258 -4.181 2.478) 5.851 5.636 ( 0.658 -5.431 -0.212) 5.475 5.864 ( -0.076 1.102 0.494) 1.210 5.892 ( 0.048 2.838 -0.329) 2.858 5.937 ( -1.429 -3.352 -0.860) 3.744 6.012 ( 1.043 -0.361 2.088) 2.361 6.057 ( -0.889 -3.450 0.789) 3.649 6.116 ( 0.039 -4.003 0.607) 4.049 6.190 ( -0.494 -0.696 -0.662) 1.080 6.210 ( -0.067 -2.157 0.116) 2.161 6.294 ( 0.280 -3.344 -3.319) 4.720 6.308 ( -0.788 0.620 -0.302) 1.047 6.323 ( 0.280 1.890 0.155) 1.916 6.430 ( 1.542 -2.911 -1.120) 3.479 6.513 ( 0.398 0.769 0.666) 1.092 6.644 ( -0.252 -4.065 -1.252) 4.261 6.725 ( -3.912 -4.585 5.833) 8.387 6.989 ( 6.474 -1.250 -4.909) 8.220 7.474 ( 0.021 -1.319 -0.109) 1.324 8.168 ( -0.094 -0.730 -0.120) 0.745 8.202 ( 0.908 0.056 0.539) 1.057 8.260 ( -0.587 -2.186 -0.039) 2.264 ======================= Grid point 76 (33/77) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -8.547 25.163 7.031) 27.489 1.294 ( 6.808 10.952 23.258) 26.594 1.522 ( -5.663 8.688 3.992) 11.112 1.596 ( -6.979 15.264 -7.291) 18.299 1.787 ( 1.030 14.364 -0.619) 14.414 1.942 ( 3.981 11.974 -1.965) 12.770 1.992 ( -14.255 -3.638 -1.483) 14.786 2.090 ( -8.044 3.369 3.603) 9.436 2.227 ( -1.214 7.318 0.862) 7.468 2.267 ( -1.482 1.334 6.486) 6.786 2.306 ( -8.740 3.793 -1.985) 9.732 2.401 ( 4.634 11.912 4.121) 13.430 2.509 ( 8.330 7.894 2.888) 11.834 2.531 ( 5.474 16.620 2.687) 17.703 2.591 ( 3.638 4.019 1.014) 5.515 2.652 ( 5.282 9.686 1.190) 11.096 2.705 ( 1.642 9.457 -1.529) 9.720 2.936 ( 5.163 6.872 -10.030) 13.209 2.947 ( 3.236 6.983 2.395) 8.061 2.967 ( 1.639 2.644 -8.537) 9.086 3.030 ( 2.211 0.489 1.205) 2.565 3.094 ( 0.669 2.879 -3.040) 4.239 3.135 ( 2.423 2.818 -2.180) 4.309 3.248 ( 2.410 4.613 -4.604) 6.949 3.269 ( 3.490 3.339 -1.021) 4.937 3.353 ( 3.843 1.831 -7.924) 8.995 3.733 ( -6.121 10.098 -3.006) 12.185 3.831 ( -3.481 5.499 -0.948) 6.577 4.020 ( -5.260 2.251 1.551) 5.928 4.153 ( -0.210 0.356 1.261) 1.327 4.297 ( -5.108 1.442 -8.851) 10.320 4.408 ( 2.478 0.811 7.882) 8.302 4.591 ( 1.958 0.913 4.048) 4.588 4.683 ( 1.194 -3.111 0.760) 3.418 4.908 ( 1.106 -0.189 6.267) 6.367 4.995 ( 0.269 -1.597 -0.480) 1.689 5.038 ( 0.041 -4.081 -0.546) 4.118 5.193 ( 3.266 -5.659 -0.391) 6.546 5.283 ( 1.500 -4.594 -1.185) 4.976 5.683 ( 2.768 -4.977 -0.104) 5.696 5.883 ( 1.258 1.058 0.379) 1.687 5.904 ( 1.146 2.066 0.055) 2.363 5.935 ( 1.184 -1.635 0.185) 2.027 6.044 ( 1.355 -4.403 1.722) 4.918 6.068 ( 2.040 0.464 2.210) 3.043 6.119 ( 0.235 -3.208 -1.260) 3.454 6.154 ( -2.675 -1.720 -0.719) 3.260 6.217 ( 0.088 -1.522 0.397) 1.575 6.274 ( -0.079 -0.783 -0.879) 1.180 6.307 ( 0.606 -2.290 -1.475) 2.791 6.370 ( 3.431 1.881 -0.093) 3.914 6.455 ( 0.956 -2.745 -1.999) 3.528 6.520 ( -0.057 -0.053 0.608) 0.613 6.613 ( -3.507 -3.133 0.667) 4.750 6.626 ( -1.568 -3.609 0.583) 3.978 6.779 ( -12.951 3.205 1.242) 13.399 7.466 ( -0.568 -1.314 -0.033) 1.432 8.161 ( -0.421 -0.852 -0.176) 0.966 8.199 ( -0.793 0.061 -0.591) 0.991 8.257 ( 0.216 -2.251 0.807) 2.401 ======================= Grid point 77 (34/77) ======================= q-point: ( 0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 10.230 8.325 7.719) 15.282 1.346 ( -11.283 5.940 4.899) 13.660 1.504 ( 1.263 3.279 16.830) 17.193 1.571 ( 2.426 1.417 4.698) 5.474 1.601 ( -7.561 4.628 0.811) 8.902 1.793 ( -3.783 1.454 -3.906) 5.628 1.947 ( -0.577 5.657 -1.801) 5.965 2.037 ( -7.552 1.733 3.801) 8.631 2.097 ( -1.839 6.192 -3.012) 7.127 2.147 ( -5.384 3.208 3.041) 6.966 2.253 ( 5.507 8.873 -4.360) 11.317 2.408 ( 0.074 1.013 8.754) 8.813 2.571 ( 0.279 1.898 -1.667) 2.542 2.623 ( -0.298 5.787 1.256) 5.929 2.719 ( 2.376 7.605 -4.072) 8.948 2.802 ( 3.977 8.958 -2.878) 10.215 2.888 ( 3.757 7.765 -4.852) 9.897 2.936 ( 0.914 10.635 0.387) 10.682 3.043 ( 9.046 13.809 -1.785) 16.605 3.072 ( 1.685 9.577 4.257) 10.615 3.082 ( 5.659 11.197 1.326) 12.616 3.139 ( 2.280 8.025 -2.279) 8.648 3.199 ( 3.644 7.547 0.566) 8.400 3.237 ( -1.948 6.880 -2.775) 7.670 3.329 ( 3.641 5.920 -2.722) 7.464 3.484 ( 3.847 14.218 -5.956) 15.888 3.495 ( -5.249 9.504 -4.489) 11.749 3.786 ( -1.311 5.279 -4.128) 6.828 3.892 ( -8.609 11.383 0.365) 14.276 4.053 ( -6.325 3.166 -6.192) 9.400 4.177 ( -3.547 2.958 -0.157) 4.621 4.497 ( 2.794 -6.001 5.613) 8.679 4.648 ( 2.411 -5.714 5.808) 8.497 4.729 ( 2.037 -9.559 -0.269) 9.777 4.928 ( -0.661 -3.097 3.368) 4.623 4.986 ( -0.617 -6.894 2.778) 7.458 5.068 ( 2.157 -1.905 0.419) 2.908 5.251 ( 1.325 -5.499 -1.169) 5.776 5.299 ( 0.385 -4.073 -3.690) 5.509 5.712 ( -0.057 -4.344 -0.385) 4.362 5.909 ( 0.879 2.459 1.040) 2.811 5.937 ( 1.321 2.438 0.137) 2.777 5.964 ( 1.300 -2.554 2.212) 3.620 6.088 ( 0.181 -2.566 1.903) 3.200 6.098 ( 0.531 -1.711 -0.238) 1.807 6.115 ( 0.510 -4.863 0.474) 4.913 6.146 ( 2.138 -0.047 0.319) 2.162 6.210 ( -0.118 -0.289 1.155) 1.196 6.283 ( 0.269 -0.764 -1.014) 1.298 6.311 ( -0.340 -4.372 -2.782) 5.193 6.436 ( 1.557 -0.705 -1.845) 2.516 6.463 ( 1.146 -0.858 -1.808) 2.306 6.512 ( -1.321 -0.905 -0.447) 1.662 6.577 ( -1.141 0.775 1.083) 1.753 6.603 ( -0.520 -3.173 0.462) 3.248 6.639 ( -1.609 -0.464 1.187) 2.052 7.456 ( -0.216 -1.403 -0.030) 1.420 8.154 ( -0.178 -1.042 -0.187) 1.074 8.184 ( -0.386 0.319 -1.175) 1.277 8.263 ( 0.115 -2.262 1.176) 2.553 ======================= Grid point 78 (35/77) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -7.564 12.843 8.042) 16.936 1.276 ( -10.235 7.377 15.220) 19.769 1.430 ( 5.420 -0.391 2.774) 6.102 1.604 ( 5.603 0.476 -2.852) 6.306 1.766 ( 10.551 2.032 -2.680) 11.074 1.850 ( -4.023 5.011 1.951) 6.716 1.878 ( 10.320 1.022 13.177) 16.769 1.983 ( -2.557 5.175 -4.856) 7.543 2.105 ( 8.312 3.696 0.485) 9.110 2.207 ( 6.514 3.818 4.611) 8.847 2.374 ( 3.065 6.419 2.200) 7.446 2.433 ( 0.139 2.888 1.688) 3.348 2.509 ( -5.311 9.164 -4.985) 11.706 2.598 ( -0.223 4.121 -0.181) 4.131 2.686 ( -4.490 6.553 -0.222) 7.947 2.783 ( -16.674 20.777 -0.020) 26.640 2.830 ( -1.656 6.391 -6.610) 9.343 2.870 ( -4.899 8.093 -0.285) 9.464 2.950 ( -1.503 8.200 -1.746) 8.517 3.105 ( -4.959 8.830 1.134) 10.190 3.133 ( -0.791 5.898 -0.178) 5.953 3.154 ( -2.724 2.315 -1.320) 3.811 3.200 ( -1.157 4.461 0.906) 4.697 3.272 ( 2.929 9.306 -0.861) 9.794 3.370 ( -1.723 3.796 -1.671) 4.491 3.558 ( 8.170 18.495 -3.768) 20.567 3.633 ( -3.651 12.711 -6.726) 14.837 3.732 ( 9.428 9.443 -9.294) 16.262 3.823 ( 7.216 12.202 -1.061) 14.215 3.967 ( -2.153 2.394 -3.295) 4.607 4.120 ( -2.201 2.792 6.188) 7.136 4.514 ( -1.561 -6.955 2.308) 7.492 4.701 ( -0.374 -7.866 4.204) 8.927 4.749 ( 0.401 -8.607 1.206) 8.700 4.906 ( -1.211 -3.905 0.807) 4.167 4.996 ( 1.180 -6.136 5.341) 8.220 5.098 ( -0.051 -3.235 1.542) 3.584 5.225 ( -3.299 -4.721 -2.140) 6.144 5.283 ( -1.073 -3.511 -4.111) 5.512 5.694 ( -1.341 -4.285 -0.053) 4.490 5.914 ( -0.655 3.027 0.318) 3.113 5.943 ( -0.608 2.560 0.736) 2.733 5.995 ( 0.279 -2.796 2.786) 3.957 6.055 ( -1.912 -0.481 -0.696) 2.091 6.084 ( -2.002 -4.811 1.038) 5.313 6.154 ( 1.270 -5.815 1.444) 6.125 6.176 ( 0.353 -0.005 1.375) 1.419 6.230 ( 1.323 0.501 1.635) 2.162 6.272 ( -1.528 -2.601 -2.421) 3.868 6.284 ( -0.286 -1.487 -2.800) 3.183 6.415 ( -1.304 -4.371 -3.340) 5.654 6.451 ( -3.653 2.426 -0.365) 4.401 6.500 ( 1.067 0.170 -0.490) 1.186 6.577 ( 0.892 2.592 0.291) 2.757 6.615 ( 2.181 -2.627 1.271) 3.643 6.642 ( 0.640 -3.437 0.776) 3.582 7.460 ( 0.509 -1.538 -0.032) 1.620 8.152 ( 0.121 -0.801 -0.218) 0.839 8.181 ( 0.224 0.273 -1.022) 1.081 8.268 ( 0.072 -2.403 1.054) 2.625 ======================= Grid point 79 (36/77) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -1.686 17.687 12.666) 21.820 1.244 ( 7.126 23.043 17.129) 29.583 1.457 ( 4.046 11.222 -3.759) 12.507 1.760 ( -3.020 9.127 1.039) 9.670 1.826 ( 8.265 3.372 -0.527) 8.942 1.898 ( 0.927 10.412 0.194) 10.455 2.039 ( 11.217 2.590 -6.839) 13.390 2.152 ( -10.019 18.180 -1.012) 20.783 2.251 ( -14.572 20.360 5.060) 25.544 2.268 ( -1.688 8.822 7.992) 12.023 2.274 ( 16.087 -3.573 6.900) 17.866 2.421 ( 0.006 2.968 1.055) 3.150 2.485 ( 1.977 3.118 3.387) 5.011 2.508 ( 4.182 9.610 -2.645) 10.809 2.592 ( -2.493 3.682 2.216) 4.968 2.617 ( -6.336 12.044 0.789) 13.632 2.693 ( -3.989 8.109 -2.739) 9.442 2.834 ( -0.969 0.658 -4.417) 4.570 2.904 ( -1.243 2.571 -3.396) 4.437 2.992 ( -4.883 0.093 0.846) 4.957 3.067 ( -2.751 -0.063 -3.483) 4.439 3.123 ( -1.276 3.691 -1.450) 4.166 3.198 ( 0.386 4.402 -1.010) 4.532 3.238 ( -4.826 6.983 -6.233) 10.531 3.295 ( -5.760 0.975 -1.951) 6.159 3.387 ( -3.700 8.137 -12.406) 15.291 3.810 ( 1.346 4.918 -5.710) 7.655 3.876 ( 6.694 5.908 -2.278) 9.214 3.936 ( 3.293 7.166 1.944) 8.123 4.068 ( 10.804 9.922 1.534) 14.749 4.128 ( 2.023 2.518 4.249) 5.337 4.468 ( -2.718 -4.217 1.935) 5.377 4.645 ( -4.135 -4.006 2.367) 6.225 4.735 ( -1.773 -2.666 -0.165) 3.206 4.888 ( -1.149 -1.804 4.070) 4.598 5.043 ( -0.919 -2.010 0.564) 2.281 5.099 ( 1.257 -4.055 0.744) 4.310 5.136 ( -2.285 -4.247 2.178) 5.292 5.235 ( -2.512 -3.837 -3.399) 5.708 5.659 ( -1.950 -4.941 -0.029) 5.312 5.888 ( -1.671 1.785 0.264) 2.459 5.912 ( -1.951 2.845 -0.258) 3.459 5.982 ( -1.799 -4.923 0.883) 5.316 6.005 ( -1.305 1.112 0.612) 1.820 6.073 ( -0.347 -3.966 2.020) 4.464 6.128 ( -1.557 -4.999 -0.056) 5.236 6.199 ( -0.015 -0.266 -0.385) 0.468 6.219 ( -0.935 -2.572 -0.350) 2.759 6.272 ( 1.378 -1.153 -1.011) 2.062 6.302 ( 1.923 0.013 -0.821) 2.090 6.362 ( -3.403 2.624 -0.078) 4.298 6.406 ( 0.388 -2.946 -1.772) 3.460 6.508 ( 0.093 0.116 -0.003) 0.149 6.631 ( 4.790 -1.204 -0.306) 4.948 6.651 ( 1.974 -1.834 1.306) 2.994 6.734 ( 8.066 0.358 1.485) 8.210 7.472 ( 0.415 -1.553 -0.052) 1.608 8.162 ( 0.695 -0.635 -0.136) 0.951 8.185 ( 0.427 0.226 -0.397) 0.625 8.268 ( -0.228 -2.476 0.578) 2.553 ======================= Grid point 80 (37/77) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 0.422 12.364 16.767) 20.838 1.759 ( -0.242 3.723 9.418) 10.130 1.894 ( 1.308 8.429 4.894) 9.834 1.951 ( -4.152 23.210 1.766) 23.645 2.073 ( 0.808 4.261 -0.225) 4.343 2.193 ( -4.773 11.345 -3.899) 12.911 2.213 ( -1.610 4.074 -6.951) 8.216 2.315 ( 0.170 5.938 -5.383) 8.016 2.326 ( -5.625 -4.386 -4.046) 8.200 2.391 ( -1.054 7.154 1.824) 7.458 2.455 ( -2.359 0.694 -0.455) 2.501 2.504 ( 2.717 0.358 6.968) 7.488 2.602 ( -2.037 -1.088 5.572) 6.032 2.625 ( 3.107 1.786 3.883) 5.284 2.709 ( 2.516 15.005 6.494) 16.542 2.770 ( 8.568 2.500 0.491) 8.938 2.793 ( 1.420 10.496 2.239) 10.826 2.856 ( 0.554 6.397 -0.340) 6.430 2.874 ( 0.787 -6.999 1.178) 7.141 2.989 ( 4.372 1.718 -5.150) 6.970 3.025 ( -0.100 11.879 -3.228) 12.310 3.111 ( -2.160 2.925 -2.717) 4.539 3.235 ( -3.592 6.644 -5.260) 9.204 3.256 ( -0.385 3.325 -1.012) 3.497 3.350 ( -0.146 7.909 -6.106) 9.993 3.536 ( -1.023 16.261 -15.567) 22.535 3.900 ( -0.269 7.537 -3.855) 8.470 3.948 ( 1.063 3.355 -0.276) 3.530 4.098 ( -1.977 1.846 -0.961) 2.871 4.202 ( 0.278 3.499 -0.078) 3.511 4.303 ( 0.278 1.983 2.625) 3.302 4.423 ( 1.994 -0.259 5.343) 5.709 4.707 ( 1.579 6.294 3.674) 7.457 4.754 ( -1.855 4.745 0.326) 5.105 4.944 ( 0.847 4.317 2.390) 5.007 4.995 ( -1.862 0.329 -0.342) 1.922 5.018 ( 0.913 0.082 0.303) 0.965 5.103 ( -2.969 0.238 -1.773) 3.466 5.173 ( 2.627 -0.868 2.409) 3.668 5.539 ( 0.529 -3.115 0.179) 3.165 5.812 ( -0.461 -5.136 -0.871) 5.229 5.873 ( 0.080 -3.225 0.595) 3.281 5.911 ( -0.321 -1.891 -0.169) 1.925 5.951 ( -0.625 -4.639 0.705) 4.734 6.001 ( 0.637 -3.499 2.709) 4.471 6.057 ( 0.258 -0.606 -0.303) 0.725 6.149 ( -0.435 -3.513 -0.776) 3.624 6.166 ( -0.962 -2.458 -1.278) 2.933 6.221 ( 0.493 -2.209 -2.134) 3.111 6.301 ( -0.362 -1.399 -0.229) 1.463 6.351 ( 1.166 -3.625 -2.159) 4.377 6.369 ( 0.105 1.182 -0.195) 1.203 6.525 ( 0.674 -0.387 0.760) 1.087 6.555 ( -0.570 -4.406 -0.961) 4.545 6.627 ( -2.644 -4.726 6.909) 8.778 6.925 ( 2.820 -4.861 -3.003) 6.372 7.444 ( -0.026 -1.464 -0.120) 1.469 8.153 ( -0.130 -0.771 -0.225) 0.813 8.206 ( 0.481 0.102 0.458) 0.672 8.217 ( -0.342 -1.697 -0.146) 1.737 ======================= Grid point 81 (38/77) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 2.073 8.200 17.823) 19.728 1.649 ( -13.243 19.846 4.144) 24.216 1.678 ( -9.335 10.594 9.036) 16.764 1.836 ( -16.677 -3.089 3.069) 17.236 1.968 ( -8.115 13.083 -3.748) 15.845 2.043 ( -8.441 6.441 -1.243) 10.690 2.108 ( 5.595 4.637 4.910) 8.770 2.242 ( -6.534 3.862 -3.046) 8.178 2.257 ( -7.221 7.279 2.770) 10.621 2.347 ( -1.300 6.189 -9.318) 11.262 2.393 ( -5.354 5.297 1.595) 7.699 2.489 ( -1.107 3.314 3.918) 5.250 2.538 ( 0.703 -2.660 -1.170) 2.990 2.618 ( -0.625 1.545 0.798) 1.848 2.845 ( 4.043 6.254 -1.218) 7.546 2.906 ( 2.015 -1.255 -5.691) 6.166 2.928 ( 5.187 3.858 2.659) 6.990 2.967 ( 7.989 -0.861 1.125) 8.114 3.062 ( 5.458 3.504 -3.431) 7.338 3.083 ( 6.591 4.106 -1.567) 7.922 3.107 ( 10.622 5.901 3.986) 12.788 3.192 ( 4.752 12.423 -0.475) 13.310 3.216 ( 7.203 7.607 -2.422) 10.752 3.307 ( 8.427 6.205 1.292) 10.545 3.386 ( 2.580 5.554 -3.820) 7.218 3.562 ( 7.547 19.437 -15.180) 25.792 3.892 ( 0.181 5.230 -3.938) 6.549 3.961 ( -0.989 6.297 0.062) 6.374 4.057 ( -1.866 1.750 -1.114) 2.790 4.182 ( -1.814 4.460 0.435) 4.834 4.301 ( -1.121 -1.644 1.058) 2.253 4.459 ( -0.038 1.926 3.095) 3.646 4.649 ( -6.631 1.854 0.197) 6.888 4.682 ( -3.811 7.298 3.998) 9.153 4.926 ( -3.362 0.824 3.401) 4.852 4.959 ( -3.043 1.688 1.087) 3.646 5.046 ( 1.492 3.895 0.385) 4.189 5.089 ( 2.838 -3.416 -0.650) 4.488 5.213 ( 1.710 -1.646 -0.996) 2.574 5.593 ( 3.374 -3.033 0.181) 4.541 5.814 ( 0.897 -5.027 0.029) 5.107 5.900 ( 1.780 -3.910 -0.416) 4.316 5.925 ( 2.052 -1.263 1.339) 2.757 5.938 ( -0.885 -5.033 0.368) 5.123 6.022 ( 0.585 -3.907 2.434) 4.640 6.079 ( 1.117 -2.292 -0.227) 2.560 6.120 ( -1.149 -1.545 -1.916) 2.716 6.152 ( 0.089 -3.632 0.152) 3.636 6.238 ( 1.003 -1.339 -1.147) 2.029 6.280 ( -1.495 -1.100 -0.249) 1.873 6.367 ( 0.623 -4.765 -3.517) 5.955 6.415 ( 3.464 1.351 0.020) 3.719 6.515 ( -1.839 -2.320 0.156) 2.965 6.540 ( 0.177 -2.440 0.051) 2.447 6.572 ( -1.754 -2.198 4.460) 5.273 6.810 ( -8.733 -0.643 -0.745) 8.789 7.438 ( -0.456 -1.304 -0.096) 1.385 8.144 ( -0.512 -0.720 -0.164) 0.899 8.202 ( -0.602 -0.110 -0.266) 0.667 8.216 ( 0.235 -1.358 0.373) 1.428 ======================= Grid point 82 (39/77) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -5.022 17.023 5.428) 18.560 1.498 ( -7.239 7.911 6.477) 12.528 1.555 ( -6.954 2.511 13.549) 15.435 1.591 ( -0.914 4.897 15.265) 16.058 1.829 ( -2.742 12.558 -5.821) 14.110 1.890 ( -3.784 7.314 -2.642) 8.648 2.067 ( -5.961 2.649 0.571) 6.548 2.121 ( -2.716 9.594 1.274) 10.052 2.239 ( -0.186 4.776 2.677) 5.479 2.277 ( -1.246 10.177 -1.652) 10.385 2.364 ( 0.351 1.520 4.539) 4.799 2.472 ( 3.079 5.276 -2.897) 6.761 2.603 ( -0.178 1.832 -2.656) 3.232 2.646 ( 4.905 -1.519 -0.193) 5.139 2.843 ( -4.439 -0.416 -11.294) 12.142 2.892 ( 1.061 4.086 -5.126) 6.641 2.986 ( 1.304 2.902 1.260) 3.422 3.065 ( 0.408 3.764 2.222) 4.390 3.155 ( 4.689 0.656 -0.855) 4.811 3.194 ( 3.939 0.461 -0.161) 3.970 3.229 ( 1.376 3.320 -3.949) 5.340 3.299 ( -0.345 3.722 -0.398) 3.759 3.336 ( 3.546 1.541 0.027) 3.867 3.422 ( 3.864 8.498 -1.614) 9.474 3.645 ( 17.081 21.885 4.662) 28.151 3.765 ( 10.232 16.561 -8.322) 21.171 3.863 ( -9.831 17.222 -0.769) 19.845 3.900 ( 1.506 5.317 -3.738) 6.672 3.986 ( 0.108 0.400 1.966) 2.009 4.187 ( 0.293 4.263 -0.772) 4.342 4.241 ( -4.676 1.081 -3.282) 5.814 4.402 ( -5.381 2.139 -0.945) 5.867 4.532 ( -2.797 -5.389 1.961) 6.380 4.628 ( -1.518 4.361 5.079) 6.864 4.859 ( -2.484 -2.904 1.764) 4.209 4.902 ( -1.944 1.020 5.486) 5.909 5.081 ( 1.115 2.815 -0.180) 3.033 5.147 ( 1.725 -3.696 -0.923) 4.182 5.241 ( 1.006 -1.149 -2.717) 3.116 5.636 ( 0.370 -2.483 -0.319) 2.531 5.854 ( 2.372 -5.374 2.274) 6.299 5.919 ( -0.667 -4.761 -0.349) 4.820 5.932 ( 1.299 -3.985 -0.644) 4.240 5.982 ( 1.695 -2.948 2.529) 4.238 6.025 ( -0.846 -4.456 0.966) 4.637 6.069 ( -0.056 -2.438 -1.132) 2.689 6.139 ( 0.532 -3.110 -0.079) 3.156 6.170 ( 1.937 -1.734 2.276) 3.455 6.240 ( -0.383 -2.115 -1.410) 2.570 6.254 ( -0.619 -1.454 -0.404) 1.631 6.360 ( -0.518 -4.083 -4.159) 5.851 6.461 ( 0.937 -0.723 0.113) 1.189 6.504 ( 0.234 -1.160 -0.640) 1.345 6.551 ( 0.477 -2.076 0.748) 2.258 6.588 ( 2.481 0.577 2.658) 3.681 6.668 ( -4.873 1.365 -0.737) 5.114 7.430 ( -0.221 -1.117 -0.131) 1.146 8.136 ( -0.208 -0.682 -0.090) 0.718 8.195 ( -0.095 0.615 -0.430) 0.757 8.219 ( 0.018 -1.804 0.380) 1.844 ======================= Grid point 83 (40/77) ======================= q-point: (-0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -2.206 10.916 9.021) 14.332 1.473 ( 6.103 5.614 5.822) 10.133 1.523 ( 3.404 17.979 13.242) 22.587 1.660 ( 6.861 3.667 6.134) 9.907 1.841 ( 4.267 5.359 -4.787) 8.357 1.922 ( 4.913 5.568 6.439) 9.829 2.024 ( 2.178 8.377 0.357) 8.663 2.126 ( 2.767 8.304 -2.166) 9.017 2.227 ( 2.598 7.428 -2.947) 8.403 2.305 ( 2.490 5.824 5.698) 8.520 2.390 ( -0.047 -0.600 9.976) 9.994 2.554 ( 3.536 5.608 -6.974) 9.623 2.596 ( 1.156 1.178 -5.580) 5.819 2.692 ( -5.305 3.435 -5.426) 8.329 2.735 ( 1.267 -1.021 -3.622) 3.971 2.869 ( -2.033 1.317 -5.559) 6.063 2.974 ( -2.497 2.363 0.065) 3.439 3.034 ( -5.047 2.563 1.180) 5.782 3.163 ( -5.906 0.244 -3.775) 7.014 3.188 ( -4.439 1.281 -0.098) 4.622 3.226 ( -0.377 5.783 -0.310) 5.804 3.258 ( 0.079 4.199 -1.851) 4.589 3.334 ( -4.377 4.874 0.575) 6.576 3.450 ( -3.435 8.548 -1.763) 9.380 3.550 ( -11.863 17.059 1.248) 20.815 3.892 ( -1.587 10.840 -2.957) 11.348 3.919 ( 4.227 5.465 -3.038) 7.547 3.952 ( 1.673 14.104 2.040) 14.348 4.040 ( -3.407 8.927 -8.885) 13.047 4.115 ( 8.692 11.181 1.586) 14.251 4.206 ( 0.214 8.910 -0.064) 8.913 4.333 ( -0.520 -9.666 0.527) 9.695 4.525 ( 1.340 -5.236 2.263) 5.859 4.650 ( 2.469 0.516 3.369) 4.209 4.847 ( 0.980 -0.910 1.713) 2.174 4.928 ( 3.557 0.764 5.967) 6.989 5.077 ( -1.471 1.567 -0.280) 2.168 5.139 ( -2.176 -2.934 -0.878) 3.757 5.235 ( -1.125 -0.799 -3.030) 3.329 5.619 ( -1.637 -2.412 -0.132) 2.918 5.885 ( -1.061 -5.669 1.766) 6.032 5.910 ( -0.260 -4.858 0.602) 4.902 5.945 ( 0.333 -3.881 -0.232) 3.902 5.979 ( -1.939 -4.544 0.432) 4.959 6.012 ( -0.675 -3.301 1.804) 3.823 6.069 ( -0.021 -1.604 -0.901) 1.840 6.143 ( 0.548 -3.754 1.560) 4.102 6.198 ( -0.657 -2.718 0.192) 2.802 6.241 ( 0.442 -0.388 -0.647) 0.874 6.256 ( 1.168 -1.512 -0.466) 1.967 6.333 ( -0.718 -3.461 -3.583) 5.033 6.477 ( 0.693 -0.735 -1.208) 1.574 6.499 ( -1.494 -0.419 -0.387) 1.599 6.553 ( -1.018 -1.760 1.330) 2.429 6.592 ( -1.144 -1.589 2.455) 3.140 6.649 ( 3.124 1.905 -0.881) 3.764 7.431 ( 0.357 -1.185 -0.132) 1.245 8.137 ( 0.345 -0.585 -0.095) 0.685 8.194 ( 0.034 0.907 -0.402) 0.993 8.219 ( -0.049 -2.158 0.355) 2.187 ======================= Grid point 84 (41/77) ======================= q-point: (-0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -1.737 12.791 14.102) 19.118 1.631 ( 7.250 4.556 6.452) 10.721 1.766 ( 14.030 23.199 7.671) 28.176 1.894 ( 4.765 5.654 0.182) 7.396 1.926 ( 8.952 4.984 2.523) 10.552 2.071 ( 9.584 0.586 -2.101) 9.829 2.173 ( 6.306 11.183 0.888) 12.869 2.200 ( 8.276 3.599 3.720) 9.761 2.352 ( 2.067 7.104 8.305) 11.123 2.380 ( 6.012 -1.418 -1.255) 6.303 2.427 ( 1.581 3.755 -1.783) 4.447 2.510 ( -1.747 5.772 -5.360) 8.069 2.588 ( -1.475 0.532 -4.903) 5.148 2.635 ( 0.380 1.455 -3.209) 3.544 2.751 ( -3.403 -1.254 -1.764) 4.033 2.775 ( -4.498 -1.038 1.990) 5.027 2.841 ( -8.420 8.232 2.438) 12.025 2.938 ( -3.825 9.559 -1.417) 10.393 2.947 ( -10.099 5.820 0.250) 11.659 3.048 ( -6.795 2.475 -6.352) 9.625 3.121 ( -8.342 9.260 0.527) 12.475 3.221 ( -3.862 4.387 -1.279) 5.983 3.248 ( -1.005 2.188 1.353) 2.762 3.353 ( -5.496 5.723 1.060) 8.005 3.405 ( -3.366 7.505 -5.399) 9.839 3.680 ( -9.785 19.700 -12.294) 25.199 3.923 ( -0.859 6.413 -5.275) 8.348 3.946 ( -0.407 3.701 0.533) 3.761 4.100 ( 2.470 4.360 -2.565) 5.629 4.197 ( 0.648 3.910 -0.333) 3.977 4.271 ( 2.718 6.586 2.999) 7.731 4.366 ( 2.309 -3.256 4.772) 6.221 4.606 ( 5.517 2.248 2.572) 6.489 4.725 ( 3.451 2.280 1.505) 4.401 4.897 ( 2.844 2.761 1.898) 4.395 5.026 ( -0.964 -0.808 0.264) 1.286 5.061 ( 5.085 2.582 3.996) 6.964 5.067 ( -4.020 -1.458 -0.283) 4.286 5.183 ( -2.965 -0.876 -2.658) 4.077 5.572 ( -2.644 -2.770 0.189) 3.834 5.842 ( -2.247 -5.604 -0.326) 6.047 5.891 ( -1.403 -3.960 0.732) 4.265 5.925 ( -1.189 -2.575 -0.475) 2.876 5.968 ( -0.365 -5.466 1.689) 5.733 5.993 ( -0.818 -2.472 1.598) 3.055 6.062 ( -0.360 -0.897 -0.588) 1.131 6.161 ( -0.308 -3.186 0.657) 3.268 6.180 ( -0.222 -2.221 -0.915) 2.412 6.221 ( -0.542 -2.226 -2.078) 3.093 6.291 ( 1.381 -1.763 -0.180) 2.247 6.333 ( 0.896 -2.906 -2.025) 3.653 6.416 ( -3.976 1.493 -0.335) 4.261 6.506 ( 1.180 -1.045 -0.609) 1.690 6.551 ( 0.702 -3.902 -0.092) 3.965 6.608 ( 1.368 -2.761 5.235) 6.075 6.761 ( 8.323 -0.052 -1.516) 8.460 7.441 ( 0.422 -1.407 -0.101) 1.472 8.148 ( 0.587 -0.617 -0.193) 0.873 8.196 ( 0.307 0.602 -0.064) 0.679 8.219 ( -0.026 -2.101 0.201) 2.111 ======================= Grid point 85 (42/77) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -1.276 6.201 11.658) 13.267 1.785 ( 1.489 -0.898 11.146) 11.281 1.931 ( -0.914 -1.838 7.011) 7.305 2.061 ( -8.821 -7.801 2.053) 11.953 2.105 ( -1.986 -4.280 3.510) 5.880 2.258 ( 11.330 -8.143 8.038) 16.102 2.289 ( -0.775 -1.858 -5.512) 5.868 2.340 ( -3.521 4.710 -1.618) 6.099 2.430 ( 0.608 8.908 -5.251) 10.358 2.488 ( -2.680 2.617 -0.176) 3.750 2.532 ( 1.855 11.213 0.338) 11.371 2.588 ( -2.092 7.664 -0.972) 8.004 2.600 ( 2.302 -2.795 0.360) 3.639 2.653 ( -2.449 -4.953 -0.666) 5.565 2.703 ( 3.184 4.638 0.294) 5.633 2.761 ( -0.523 -0.823 3.691) 3.817 2.816 ( -0.446 7.436 -0.070) 7.450 2.911 ( 0.840 -0.298 -9.213) 9.256 3.008 ( 2.774 2.306 0.672) 3.670 3.105 ( -0.919 4.543 -5.940) 7.534 3.110 ( -0.394 -0.696 -6.656) 6.704 3.235 ( 1.430 3.306 0.426) 3.627 3.364 ( 2.406 1.035 3.682) 4.518 3.436 ( -3.885 4.321 -9.613) 11.233 3.592 ( 2.014 27.042 5.348) 27.639 3.961 ( 1.451 17.915 -9.596) 20.375 4.051 ( -2.639 10.225 -1.979) 10.744 4.084 ( -0.203 5.382 -3.775) 6.577 4.110 ( -2.663 0.215 -1.240) 2.945 4.251 ( 1.812 -0.267 -0.850) 2.019 4.343 ( 2.544 4.074 3.765) 6.103 4.417 ( -0.842 0.989 5.550) 5.700 4.808 ( -0.415 3.997 1.896) 4.443 4.900 ( 0.451 8.291 1.033) 8.368 5.033 ( -0.480 5.272 -0.552) 5.322 5.045 ( -0.907 3.995 1.952) 4.538 5.088 ( 0.816 7.059 -0.856) 7.158 5.191 ( -0.182 8.027 1.036) 8.096 5.203 ( 0.683 2.639 2.079) 3.428 5.534 ( 0.167 2.526 0.567) 2.594 5.711 ( -0.003 -4.080 -1.626) 4.392 5.782 ( -0.173 -5.330 -1.272) 5.483 5.827 ( -0.305 -4.691 1.420) 4.911 5.860 ( 0.071 -4.005 1.167) 4.172 5.919 ( 0.487 -4.789 2.096) 5.251 6.026 ( -1.206 -3.677 -2.270) 4.486 6.080 ( -0.011 -2.341 0.084) 2.342 6.099 ( -0.826 -3.346 -0.285) 3.458 6.209 ( 1.575 0.213 -0.583) 1.693 6.227 ( 0.348 -5.085 -2.253) 5.573 6.295 ( -0.172 -2.890 -1.260) 3.158 6.371 ( -0.058 -1.074 0.015) 1.075 6.448 ( -0.790 -5.115 0.005) 5.176 6.497 ( 0.151 -3.088 0.312) 3.107 6.546 ( -1.311 -2.612 5.962) 6.639 6.794 ( 1.652 -7.674 -2.045) 8.112 7.416 ( -0.021 -1.250 -0.149) 1.259 8.137 ( -0.138 -0.772 -0.368) 0.867 8.181 ( 0.061 -1.333 -0.300) 1.367 8.216 ( 0.061 0.351 0.538) 0.645 ======================= Grid point 86 (43/77) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -1.232 4.315 12.960) 13.715 1.726 ( -9.236 -3.434 6.065) 11.571 1.796 ( -4.379 4.579 11.518) 13.146 2.023 ( -4.602 3.678 0.635) 5.926 2.066 ( -1.614 2.167 8.848) 9.251 2.181 ( -5.696 0.383 -3.937) 6.935 2.225 ( -5.151 10.012 2.484) 11.530 2.333 ( -7.964 12.487 -6.560) 16.198 2.398 ( 2.606 1.918 -5.396) 6.292 2.439 ( -5.437 -1.183 4.400) 7.093 2.516 ( 2.220 1.398 -1.142) 2.862 2.547 ( -4.810 9.032 0.789) 10.264 2.634 ( -1.835 9.081 0.698) 9.291 2.677 ( 4.055 2.859 -0.634) 5.002 2.784 ( 8.370 -4.645 4.713) 10.670 2.824 ( 3.723 -4.071 -3.301) 6.429 2.888 ( 4.152 -4.370 -3.692) 7.069 2.960 ( 4.743 -2.504 -4.873) 7.246 3.003 ( 3.216 -3.140 -2.206) 5.008 3.112 ( 2.760 -0.166 -4.595) 5.363 3.154 ( 2.522 0.255 -0.471) 2.578 3.245 ( -0.352 0.239 -0.201) 0.470 3.363 ( -1.236 2.039 -8.260) 8.597 3.438 ( 3.488 0.816 1.244) 3.792 3.756 ( 8.322 18.723 4.248) 20.925 3.941 ( -5.089 2.721 -2.860) 6.441 3.997 ( -1.259 6.447 -5.290) 8.434 4.022 ( 1.787 10.040 -3.884) 10.912 4.167 ( 3.528 6.227 -0.294) 7.163 4.235 ( -3.860 -2.516 0.990) 4.713 4.325 ( 1.513 10.882 -1.476) 11.085 4.509 ( 4.021 5.256 4.668) 8.099 4.742 ( -4.585 7.191 1.683) 8.693 4.891 ( -1.636 10.825 1.245) 11.019 4.982 ( -4.185 4.790 2.640) 6.887 5.038 ( -0.627 5.110 -1.168) 5.279 5.099 ( -0.380 4.908 0.798) 4.986 5.190 ( 0.418 9.429 1.151) 9.508 5.229 ( 1.800 3.202 -0.301) 3.685 5.578 ( 3.150 1.244 0.733) 3.465 5.716 ( 0.613 -4.075 -1.141) 4.276 5.788 ( 0.794 -6.234 -0.732) 6.327 5.816 ( -0.749 -5.504 0.324) 5.564 5.881 ( 1.721 -3.043 1.761) 3.914 5.938 ( 0.454 -4.452 2.038) 4.917 5.994 ( -0.913 -4.999 -2.043) 5.477 6.081 ( -0.502 -3.203 -0.104) 3.244 6.096 ( 1.018 -1.438 1.422) 2.264 6.211 ( -0.645 -3.288 -1.414) 3.637 6.234 ( -0.605 -2.316 -1.715) 2.945 6.285 ( 0.479 -2.963 -2.455) 3.878 6.406 ( 1.418 -2.554 0.606) 2.983 6.439 ( 1.713 -3.415 0.080) 3.821 6.491 ( -0.432 -3.197 0.221) 3.233 6.535 ( -0.255 -1.427 4.372) 4.606 6.748 ( -4.317 -5.319 -1.202) 6.955 7.414 ( -0.126 -1.025 -0.146) 1.043 8.131 ( -0.307 -0.573 -0.224) 0.688 8.180 ( 0.046 -1.174 -0.281) 1.208 8.216 ( -0.074 0.452 0.337) 0.569 ======================= Grid point 87 (44/77) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -2.466 3.074 10.509) 11.224 1.651 ( -0.038 6.210 9.896) 11.683 1.772 ( 1.049 11.604 11.541) 16.400 1.818 ( -10.061 17.757 2.200) 20.527 2.048 ( -1.493 7.333 4.527) 8.746 2.078 ( -6.382 10.215 -0.859) 12.076 2.137 ( -0.312 3.669 -1.763) 4.083 2.257 ( 0.791 4.162 0.937) 4.339 2.370 ( -1.002 4.214 3.592) 5.627 2.404 ( -5.497 7.796 3.960) 10.329 2.485 ( -1.165 7.441 -0.812) 7.576 2.533 ( 3.642 -0.323 -5.653) 6.732 2.597 ( 1.915 -0.598 -1.396) 2.444 2.699 ( -0.204 7.186 -6.062) 9.404 2.807 ( -1.536 -1.692 -12.309) 12.519 2.920 ( 0.382 -0.910 -2.973) 3.132 3.008 ( 0.773 -0.566 -0.443) 1.056 3.041 ( 6.693 -6.370 3.126) 9.754 3.123 ( 5.865 -5.147 -1.230) 7.899 3.163 ( -0.574 -1.545 1.947) 2.551 3.218 ( 1.694 -3.825 -5.030) 6.543 3.258 ( 2.778 -6.685 -0.073) 7.240 3.330 ( 0.160 -0.856 -3.310) 3.423 3.497 ( 2.187 -2.262 0.815) 3.251 3.784 ( -1.113 -7.327 -0.712) 7.445 3.872 ( -1.553 -8.585 -3.349) 9.345 3.943 ( -3.656 -5.525 1.563) 6.807 4.046 ( -2.270 -1.459 -0.970) 2.867 4.213 ( 3.095 15.547 1.417) 15.915 4.244 ( 3.691 17.801 -3.123) 18.446 4.430 ( 7.703 18.790 -2.563) 20.469 4.549 ( -0.482 9.668 1.909) 9.866 4.663 ( -4.033 13.935 0.950) 14.538 4.834 ( -3.678 13.617 1.200) 14.156 4.905 ( -2.670 6.844 2.621) 7.800 4.986 ( -2.058 6.496 2.872) 7.395 5.122 ( 1.490 1.874 0.626) 2.474 5.197 ( -0.288 8.405 -0.580) 8.430 5.263 ( 1.141 3.271 -1.806) 3.906 5.628 ( 0.739 1.683 -0.174) 1.846 5.737 ( 1.752 -5.769 1.151) 6.138 5.792 ( -0.797 -6.300 1.066) 6.439 5.819 ( 1.235 -5.977 -1.619) 6.315 5.916 ( 0.399 -4.858 0.643) 4.917 5.929 ( -0.884 -3.748 0.173) 3.855 6.002 ( 1.361 -4.138 1.040) 4.479 6.073 ( -0.319 -2.472 0.458) 2.534 6.120 ( 0.654 -3.096 2.318) 3.923 6.202 ( -0.688 -4.022 -0.776) 4.153 6.208 ( 0.338 -2.098 -0.853) 2.290 6.292 ( 0.083 -2.459 -3.751) 4.486 6.423 ( 0.867 -2.917 0.782) 3.142 6.462 ( -0.240 -2.599 -0.677) 2.697 6.505 ( 0.846 -2.607 1.041) 2.932 6.579 ( 3.433 -1.871 2.139) 4.457 6.653 ( -4.380 -3.112 -1.171) 5.499 7.411 ( -0.069 -0.701 -0.176) 0.726 8.126 ( -0.091 -0.317 -0.080) 0.340 8.183 ( 0.198 -1.172 -0.237) 1.212 8.215 ( -0.080 0.789 0.144) 0.806 ======================= Grid point 88 (45/77) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.401 6.640 10.962) 12.823 1.632 ( -2.706 8.994 7.632) 12.102 1.733 ( 2.839 4.626 8.914) 10.436 1.929 ( 4.043 16.117 6.365) 17.793 1.989 ( 3.801 9.813 -0.954) 10.566 2.046 ( 1.290 6.316 6.961) 9.487 2.193 ( 5.436 7.839 -3.749) 10.250 2.289 ( 0.118 5.799 5.099) 7.723 2.343 ( 1.626 3.661 0.268) 4.014 2.430 ( 4.655 7.377 3.925) 9.565 2.448 ( -0.759 5.359 0.336) 5.423 2.594 ( 2.784 0.333 -4.174) 5.028 2.657 ( -1.487 2.722 -9.737) 10.220 2.689 ( 4.613 -2.366 -2.675) 5.834 2.752 ( -1.295 4.214 -9.278) 10.272 2.857 ( -6.471 -3.516 -4.506) 8.634 2.968 ( -5.472 -2.333 -1.537) 6.144 2.982 ( -7.611 -4.231 2.883) 9.173 3.120 ( -3.512 -4.417 -2.730) 6.269 3.196 ( 1.965 -4.148 0.522) 4.619 3.227 ( -0.285 -1.244 0.745) 1.478 3.271 ( -0.885 -2.365 0.101) 2.528 3.340 ( -1.916 -2.135 -4.415) 5.265 3.528 ( 0.325 -1.365 0.483) 1.484 3.832 ( 4.832 -9.429 -2.680) 10.928 3.876 ( -1.640 -1.926 -3.994) 4.728 3.943 ( 3.758 -5.264 3.483) 7.346 3.967 ( 0.447 -6.435 0.772) 6.496 4.228 ( -0.477 12.963 0.178) 12.973 4.271 ( -1.809 12.570 -4.637) 13.520 4.486 ( -11.149 20.528 -2.934) 23.544 4.539 ( 0.105 15.512 2.819) 15.767 4.608 ( 5.910 12.783 1.214) 14.135 4.801 ( 1.282 12.316 2.427) 12.618 4.916 ( 2.568 7.275 2.325) 8.058 5.012 ( 3.362 6.414 2.800) 7.764 5.131 ( -1.057 2.616 0.526) 2.871 5.174 ( -1.350 7.715 -0.600) 7.855 5.258 ( -1.259 3.121 -2.006) 3.917 5.612 ( -1.782 1.543 -0.072) 2.358 5.767 ( -1.525 -5.437 0.320) 5.656 5.782 ( 1.319 -5.983 1.895) 6.413 5.837 ( 0.656 -5.740 -1.284) 5.918 5.884 ( -2.282 -4.860 -1.007) 5.463 5.926 ( -0.314 -5.055 1.412) 5.258 6.032 ( 1.018 -2.800 0.753) 3.073 6.070 ( 0.090 -2.684 1.879) 3.277 6.133 ( -0.179 -3.275 1.313) 3.533 6.197 ( 0.734 -4.615 -1.382) 4.873 6.228 ( 0.493 -1.544 -0.531) 1.706 6.270 ( -0.773 -2.695 -3.005) 4.110 6.442 ( 0.729 -2.293 -0.107) 2.409 6.459 ( 0.160 -3.033 -0.808) 3.143 6.516 ( -1.250 -2.267 1.491) 2.987 6.556 ( -3.453 -2.683 1.841) 4.744 6.643 ( 2.485 -2.617 -0.915) 3.723 7.411 ( 0.137 -0.731 -0.175) 0.764 8.128 ( 0.320 -0.303 -0.090) 0.450 8.183 ( -0.171 -1.337 -0.229) 1.367 8.214 ( -0.095 0.945 0.145) 0.960 ======================= Grid point 89 (46/77) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -0.730 7.135 10.190) 12.461 1.685 ( 4.242 1.725 9.974) 10.976 1.881 ( 5.820 -2.968 6.714) 9.368 1.957 ( 5.325 2.616 5.297) 7.953 2.056 ( 2.319 -1.055 5.156) 5.752 2.268 ( 9.942 14.240 2.251) 17.512 2.303 ( 1.988 0.625 1.233) 2.421 2.318 ( 3.160 2.010 0.650) 3.801 2.385 ( -2.195 4.058 -3.215) 5.623 2.443 ( 2.811 3.769 0.392) 4.718 2.531 ( 0.320 4.367 -2.230) 4.914 2.591 ( -0.258 1.818 -5.252) 5.564 2.613 ( -4.664 -1.065 -3.436) 5.890 2.662 ( 0.097 1.040 -0.074) 1.047 2.701 ( -1.475 8.000 -4.264) 9.185 2.780 ( 0.307 -0.175 5.709) 5.720 2.888 ( 0.091 0.569 -1.742) 1.835 2.903 ( -0.624 -0.276 -4.914) 4.961 2.987 ( -7.573 -5.182 -1.317) 9.270 3.135 ( -2.790 2.495 -3.406) 5.061 3.231 ( -0.536 1.453 0.239) 1.567 3.232 ( -5.798 -3.174 -7.951) 10.340 3.309 ( 2.362 -1.222 3.130) 4.107 3.512 ( -1.626 2.996 -3.863) 5.152 3.689 ( -9.967 21.721 2.110) 23.992 3.931 ( 3.918 -1.959 -3.552) 5.639 4.035 ( 3.175 1.038 -3.535) 4.864 4.114 ( 5.034 0.389 -0.324) 5.060 4.190 ( -3.125 13.157 -2.923) 13.835 4.228 ( -0.068 0.103 0.556) 0.570 4.266 ( -4.946 10.337 -2.752) 11.785 4.489 ( -4.440 9.941 6.056) 12.458 4.736 ( 5.421 8.013 1.961) 9.871 4.867 ( 2.885 10.347 1.163) 10.804 4.990 ( 3.495 6.021 2.468) 7.386 5.066 ( -0.507 5.826 -1.769) 6.110 5.101 ( -0.719 4.283 1.412) 4.567 5.168 ( 1.215 6.474 2.019) 6.890 5.212 ( -2.056 4.213 -1.027) 4.799 5.565 ( -2.455 1.934 0.493) 3.164 5.729 ( -1.459 -4.679 -1.286) 5.067 5.795 ( -0.436 -4.846 0.735) 4.921 5.834 ( -0.890 -5.125 -0.970) 5.291 5.855 ( 0.262 -5.178 1.039) 5.288 5.917 ( -0.665 -4.956 1.854) 5.334 6.042 ( 0.012 -1.830 -0.720) 1.967 6.086 ( 0.224 -3.714 1.658) 4.073 6.116 ( -0.980 -3.456 -0.486) 3.625 6.198 ( -0.967 -1.014 -2.402) 2.780 6.218 ( 0.894 -4.179 -1.455) 4.514 6.283 ( 1.344 -3.105 -0.804) 3.478 6.417 ( -3.735 -1.427 -0.365) 4.015 6.452 ( 0.308 -3.367 -0.687) 3.450 6.486 ( 0.531 -3.169 0.233) 3.221 6.548 ( -0.224 -2.790 5.834) 6.470 6.711 ( 4.655 -4.595 -1.919) 6.817 7.415 ( 0.159 -1.077 -0.145) 1.098 8.136 ( 0.319 -0.599 -0.257) 0.726 8.179 ( -0.003 -1.345 -0.274) 1.373 8.213 ( 0.036 0.650 0.362) 0.745 ======================= Grid point 90 (47/77) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -1.578 0.280 8.186) 8.342 1.724 ( 0.059 -4.069 5.968) 7.224 1.856 ( -7.446 -6.782 3.830) 10.776 1.890 ( 2.627 -3.459 9.657) 10.589 2.056 ( 1.841 -4.390 3.685) 6.021 2.095 ( 4.538 -3.659 14.342) 15.481 2.224 ( -1.563 -1.528 -2.342) 3.203 2.343 ( -0.271 -2.389 -0.565) 2.470 2.440 ( -4.075 -5.109 2.546) 7.013 2.490 ( 1.529 -0.275 -1.323) 2.041 2.572 ( 0.763 2.565 -7.496) 7.959 2.628 ( 1.289 0.719 -3.285) 3.601 2.677 ( 0.114 -2.875 -0.129) 2.880 2.760 ( 3.792 6.836 -0.179) 7.819 2.808 ( 0.000 3.489 -4.784) 5.921 2.859 ( -3.627 6.366 -1.559) 7.491 2.933 ( -1.206 3.846 1.481) 4.294 2.959 ( 0.950 8.267 -2.854) 8.797 2.994 ( -2.421 -1.393 -9.070) 9.490 3.147 ( 1.959 3.010 -4.404) 5.682 3.210 ( -0.579 3.357 -0.280) 3.418 3.293 ( 2.983 4.112 0.784) 5.140 3.309 ( 0.740 -3.019 3.550) 4.719 3.465 ( -3.366 -0.488 -9.186) 9.795 3.971 ( 0.978 -5.482 -0.878) 5.637 4.036 ( 4.390 1.764 1.161) 4.871 4.106 ( -4.810 -0.034 -0.405) 4.827 4.135 ( -2.848 3.124 -0.925) 4.328 4.233 ( 7.922 6.920 1.410) 10.613 4.436 ( -6.207 15.568 -5.123) 17.526 4.466 ( 7.263 7.965 3.850) 11.446 4.545 ( -4.437 8.345 0.422) 9.460 4.879 ( 0.194 3.018 1.740) 3.489 5.067 ( 0.309 3.725 2.056) 4.266 5.097 ( -0.770 3.673 2.764) 4.661 5.198 ( -0.626 8.474 -1.480) 8.625 5.238 ( -1.224 3.285 -1.085) 3.669 5.279 ( 1.125 8.952 -1.210) 9.103 5.398 ( 1.095 10.823 2.519) 11.166 5.547 ( -0.307 -4.044 -0.051) 4.056 5.641 ( 0.062 -5.669 -3.071) 6.448 5.713 ( -0.566 1.400 -0.581) 1.618 5.760 ( -0.346 -0.867 1.090) 1.436 5.796 ( 1.620 -5.024 2.241) 5.734 5.815 ( 0.170 -2.105 1.939) 2.867 5.926 ( -1.497 -4.499 -3.028) 5.625 6.028 ( -0.295 -2.462 1.335) 2.816 6.060 ( 0.196 -0.649 0.424) 0.800 6.124 ( -0.378 -4.330 -0.461) 4.371 6.193 ( -0.375 -4.820 -0.557) 4.867 6.218 ( 1.820 -0.979 -0.436) 2.112 6.322 ( -0.731 -3.882 0.412) 3.971 6.371 ( -0.782 -1.666 -0.054) 1.841 6.427 ( 0.232 -2.969 -0.715) 3.063 6.513 ( -0.270 -0.876 3.297) 3.422 6.627 ( 0.828 -7.714 -1.204) 7.851 7.395 ( 0.012 -0.746 -0.120) 0.756 8.123 ( -0.029 -0.540 -0.446) 0.701 8.160 ( 0.066 -0.662 -0.343) 0.748 8.222 ( -0.035 0.175 0.545) 0.573 ======================= Grid point 91 (48/77) ======================= q-point: ( 0.20 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -1.920 0.201 8.422) 8.640 1.721 ( 1.413 2.283 6.570) 7.097 1.860 ( 2.824 1.336 8.678) 9.223 1.995 ( 4.939 -1.869 11.433) 12.593 2.078 ( 0.297 -1.497 3.521) 3.838 2.175 ( 1.649 1.648 -2.501) 3.419 2.339 ( 4.165 -2.337 -1.030) 4.885 2.344 ( 4.293 -6.312 6.909) 10.296 2.397 ( 2.321 -1.468 1.364) 3.066 2.550 ( 0.122 3.266 -5.151) 6.100 2.597 ( 3.243 -4.869 -1.172) 5.967 2.631 ( 0.658 1.662 -1.519) 2.346 2.645 ( -11.473 12.413 -0.681) 16.917 2.702 ( 1.121 -1.774 -5.283) 5.685 2.773 ( 0.231 1.798 2.648) 3.209 2.866 ( 3.344 1.200 -2.896) 4.584 2.906 ( 0.757 2.922 -3.035) 4.280 2.958 ( -3.722 6.850 -0.001) 7.796 2.963 ( 1.710 -2.065 -7.110) 7.599 3.121 ( -2.914 3.382 -4.681) 6.468 3.189 ( -0.905 3.314 -0.090) 3.436 3.247 ( -4.165 -0.229 0.134) 4.174 3.339 ( -3.534 -2.980 -8.447) 9.629 3.394 ( 0.904 -3.483 2.520) 4.394 3.829 ( -11.611 -8.785 -2.031) 14.701 3.847 ( -12.249 -2.732 -1.994) 12.707 3.986 ( -9.609 -5.009 0.536) 10.849 4.077 ( -6.478 -5.108 1.844) 8.453 4.417 ( 8.736 15.811 1.230) 18.106 4.453 ( 6.804 15.259 -3.358) 17.042 4.603 ( 8.561 11.560 -2.132) 14.542 4.669 ( 8.716 9.103 3.375) 13.047 4.888 ( 0.421 5.574 1.895) 5.902 5.078 ( -1.344 6.787 2.191) 7.258 5.089 ( 0.816 5.116 1.507) 5.395 5.196 ( 0.693 9.201 -0.646) 9.250 5.210 ( -1.328 2.587 -0.065) 2.909 5.315 ( 2.305 6.708 -0.938) 7.155 5.419 ( 0.441 11.332 0.950) 11.381 5.559 ( 1.549 -5.295 0.364) 5.529 5.642 ( 0.288 -5.234 -3.072) 6.076 5.700 ( -0.838 -0.985 0.389) 1.351 5.751 ( -0.146 0.738 0.455) 0.879 5.828 ( 0.965 -2.081 2.645) 3.501 5.838 ( 0.745 -5.550 0.570) 5.628 5.898 ( 0.031 -2.484 -1.681) 2.999 6.023 ( -0.128 -1.983 0.725) 2.116 6.068 ( 0.145 -1.259 1.709) 2.128 6.107 ( -0.871 -5.221 -0.972) 5.382 6.161 ( -2.049 -5.028 -0.559) 5.458 6.252 ( 1.109 -0.617 -1.836) 2.231 6.327 ( 0.887 -4.103 0.426) 4.220 6.385 ( 2.369 -2.018 0.248) 3.122 6.424 ( -0.277 -2.749 -0.632) 2.834 6.508 ( -0.597 -1.163 2.898) 3.179 6.609 ( -2.076 -7.241 -0.810) 7.576 7.397 ( 0.196 -0.576 -0.138) 0.624 8.122 ( 0.003 -0.334 -0.380) 0.506 8.161 ( 0.168 -0.600 -0.366) 0.723 8.224 ( 0.175 0.272 0.495) 0.592 ======================= Grid point 92 (49/77) ======================= q-point: ( 0.40 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.740 3.220 10.384) 10.897 1.762 ( -0.589 4.303 9.126) 10.107 1.999 ( 8.693 6.952 6.272) 12.776 2.062 ( -3.017 3.503 4.605) 6.525 2.140 ( 7.002 4.786 11.907) 14.619 2.243 ( 0.219 7.916 -2.595) 8.333 2.299 ( -8.924 12.005 1.133) 15.001 2.365 ( -1.028 5.260 -2.374) 5.862 2.429 ( 0.841 1.867 0.595) 2.132 2.466 ( 4.661 -1.820 -4.542) 6.758 2.556 ( -1.088 0.805 -1.181) 1.796 2.586 ( -2.355 3.343 3.515) 5.392 2.655 ( -5.693 4.582 -2.039) 7.587 2.806 ( 3.812 0.731 -8.372) 9.228 2.839 ( 5.554 -7.277 1.444) 9.267 2.869 ( 0.443 3.738 -2.961) 4.790 2.903 ( 2.801 -0.208 -0.087) 2.810 2.959 ( 1.527 -2.893 -3.834) 5.040 3.007 ( 2.953 -4.526 -3.179) 6.270 3.083 ( -2.055 -5.410 0.545) 5.813 3.135 ( -2.662 -3.232 -9.768) 10.628 3.149 ( -1.370 -0.827 2.448) 2.924 3.294 ( 2.091 -3.430 1.594) 4.321 3.388 ( -1.840 -5.827 -0.481) 6.130 3.572 ( -9.416 -14.634 -1.200) 17.443 3.625 ( -7.781 -9.597 -5.510) 13.528 3.777 ( -6.932 -6.882 -1.084) 9.827 3.962 ( -3.929 -4.908 2.089) 6.625 4.552 ( 3.351 13.103 -0.985) 13.561 4.588 ( 4.859 13.555 -2.167) 14.562 4.762 ( 3.570 10.380 1.073) 11.029 4.824 ( 5.692 14.167 0.940) 15.297 4.908 ( 1.221 9.239 2.111) 9.555 5.049 ( -1.190 7.814 2.674) 8.344 5.114 ( 1.136 9.168 0.777) 9.271 5.158 ( -3.662 9.055 0.201) 9.770 5.223 ( 1.654 8.057 1.225) 8.316 5.355 ( 1.289 4.915 -1.521) 5.304 5.412 ( -1.193 11.516 -1.347) 11.656 5.610 ( 2.394 -6.581 0.442) 7.017 5.630 ( -0.499 -4.683 -1.094) 4.835 5.688 ( -0.113 -3.092 1.039) 3.264 5.760 ( 0.590 1.768 0.162) 1.871 5.812 ( -1.519 -5.818 -1.295) 6.151 5.859 ( 0.081 -2.222 0.551) 2.291 5.922 ( 1.667 -2.114 0.893) 2.836 6.032 ( 0.419 -1.649 1.499) 2.268 6.060 ( -0.468 -3.222 1.656) 3.652 6.097 ( -0.736 -4.820 -0.938) 4.966 6.129 ( -0.090 -4.986 0.697) 5.035 6.257 ( -0.052 -1.047 -3.070) 3.244 6.355 ( 1.549 -3.143 0.318) 3.518 6.410 ( -0.403 -2.170 -0.512) 2.266 6.444 ( 1.892 -3.105 -0.096) 3.637 6.514 ( 0.655 -4.141 1.801) 4.563 6.551 ( -2.903 -5.489 -0.063) 6.210 7.400 ( 0.107 -0.344 -0.181) 0.403 8.121 ( 0.061 -0.131 -0.307) 0.339 8.165 ( 0.175 -0.550 -0.404) 0.705 8.229 ( 0.140 0.500 0.470) 0.701 ======================= Grid point 93 (50/77) ======================= q-point: (-0.40 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.271 2.988 11.099) 11.497 1.750 ( -1.780 3.215 10.438) 11.066 1.920 ( -9.906 11.777 1.867) 15.502 2.050 ( -5.260 0.856 11.750) 12.902 2.134 ( -3.349 6.766 1.506) 7.699 2.260 ( 2.861 2.406 -1.596) 4.064 2.334 ( 1.866 5.247 1.545) 5.779 2.404 ( -4.758 5.303 4.175) 8.258 2.437 ( 3.032 2.381 -2.104) 4.392 2.473 ( 2.320 4.563 3.266) 6.072 2.573 ( 4.804 -1.825 -5.104) 7.243 2.625 ( 4.928 4.705 -2.094) 7.128 2.659 ( 4.133 3.722 0.213) 5.566 2.718 ( -4.290 -0.415 -0.454) 4.334 2.745 ( -8.404 -1.682 -5.156) 10.002 2.864 ( -0.433 3.992 -4.806) 6.262 2.933 ( -3.944 0.532 -4.151) 5.750 2.948 ( -4.040 -2.175 -1.824) 4.937 3.004 ( -0.149 0.089 -3.236) 3.240 3.085 ( 5.266 -5.712 -1.900) 7.998 3.140 ( 3.239 -6.066 0.154) 6.878 3.241 ( 1.213 -0.458 2.914) 3.190 3.298 ( -3.502 -2.013 -3.970) 5.664 3.414 ( 5.019 -8.139 0.944) 9.609 3.576 ( 12.225 -16.486 -1.450) 20.575 3.616 ( 8.852 -11.327 -7.238) 16.095 3.747 ( 4.313 -7.405 -1.057) 8.634 3.930 ( 0.675 -3.704 2.713) 4.640 4.542 ( -5.140 13.523 -0.775) 14.488 4.578 ( -4.189 13.213 -2.103) 14.019 4.781 ( -1.306 8.647 0.884) 8.790 4.860 ( -5.450 11.935 1.674) 13.227 4.885 ( -2.370 11.954 0.966) 12.225 5.050 ( 0.199 9.839 2.887) 10.256 5.105 ( 0.689 10.564 0.633) 10.605 5.156 ( 1.815 5.882 0.994) 6.235 5.259 ( 1.015 9.357 1.520) 9.534 5.358 ( -0.346 6.138 -0.712) 6.189 5.364 ( -2.728 9.960 -2.930) 10.734 5.591 ( -1.584 -5.317 -0.141) 5.550 5.671 ( 1.130 -5.119 -0.013) 5.242 5.705 ( 1.814 -3.289 1.249) 3.958 5.755 ( -0.918 -1.056 -1.724) 2.221 5.784 ( -1.322 -2.555 -0.313) 2.893 5.841 ( -0.982 -1.761 0.931) 2.220 5.952 ( 0.669 -4.133 1.405) 4.416 6.032 ( 0.076 -1.813 0.855) 2.006 6.061 ( -1.381 -4.255 0.061) 4.474 6.091 ( 1.691 -3.693 0.853) 4.150 6.151 ( 1.278 -5.078 1.007) 5.332 6.236 ( -1.310 -0.795 -3.249) 3.592 6.387 ( 1.382 -2.593 -0.633) 3.006 6.401 ( -0.500 -2.547 -0.047) 2.596 6.453 ( -3.260 -4.199 -0.745) 5.368 6.482 ( 0.243 -3.167 2.056) 3.783 6.554 ( 1.417 -5.081 0.427) 5.293 7.400 ( -0.088 -0.369 -0.181) 0.420 8.123 ( 0.112 -0.229 -0.314) 0.404 8.164 ( -0.161 -0.495 -0.395) 0.653 8.229 ( -0.241 0.536 0.468) 0.751 ======================= Grid point 94 (51/77) ======================= q-point: (-0.20 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -1.943 1.261 7.281) 7.641 1.713 ( -2.776 2.576 8.468) 9.276 1.829 ( 0.811 -0.911 8.701) 8.787 1.994 ( -2.067 -0.306 11.087) 11.283 2.068 ( -1.693 2.231 2.202) 3.563 2.138 ( -14.806 -10.694 2.072) 18.381 2.280 ( -2.781 -2.319 -1.901) 4.090 2.331 ( 1.282 -0.973 5.067) 5.317 2.513 ( -4.164 -1.744 -2.985) 5.412 2.522 ( 3.930 3.970 -7.796) 9.591 2.581 ( -4.302 0.309 1.432) 4.545 2.625 ( -2.189 -1.056 0.140) 2.434 2.666 ( 4.157 2.828 -4.091) 6.482 2.696 ( 0.134 2.921 0.433) 2.956 2.804 ( 4.250 2.810 1.135) 5.220 2.854 ( 0.224 -1.422 -1.390) 2.001 2.876 ( 1.775 7.218 -0.786) 7.474 2.945 ( 5.027 8.630 -5.934) 11.617 3.078 ( 4.747 9.255 -2.114) 10.614 3.087 ( -4.124 -5.663 -8.649) 11.130 3.194 ( 2.711 -4.221 1.277) 5.176 3.226 ( 0.525 3.291 -3.588) 4.897 3.283 ( 1.387 -0.110 3.302) 3.583 3.501 ( 1.791 -2.795 -5.160) 6.136 3.829 ( 11.106 -6.119 -2.112) 12.855 3.855 ( 9.827 -6.420 -3.398) 12.220 3.941 ( 12.422 -9.180 2.375) 15.627 4.037 ( 9.574 -0.958 1.629) 9.759 4.345 ( -11.140 14.085 -0.434) 17.964 4.476 ( -5.211 11.298 -1.072) 12.488 4.645 ( -10.928 15.360 -1.868) 18.943 4.693 ( -7.621 9.192 2.652) 12.231 4.872 ( -0.150 4.998 1.767) 5.303 5.064 ( 0.119 6.826 2.393) 7.234 5.108 ( -0.833 3.414 1.769) 3.935 5.200 ( 1.507 6.332 0.552) 6.533 5.257 ( -0.822 10.017 -1.502) 10.162 5.298 ( -2.492 6.969 -2.357) 7.767 5.367 ( 1.093 9.945 2.321) 10.271 5.563 ( -1.078 -4.394 0.274) 4.532 5.661 ( -1.137 -5.430 -2.949) 6.283 5.734 ( -1.162 1.187 -0.284) 1.685 5.748 ( 1.291 -2.972 -0.042) 3.240 5.764 ( 0.642 -3.667 1.403) 3.979 5.825 ( -1.180 -1.615 2.418) 3.138 5.955 ( -0.505 -6.034 -1.457) 6.228 6.029 ( -0.409 -2.409 1.562) 2.900 6.054 ( 0.456 -1.927 0.029) 1.981 6.122 ( 0.711 -3.207 0.890) 3.403 6.179 ( 1.156 -4.249 -0.248) 4.410 6.204 ( -0.373 -1.695 -2.264) 2.852 6.361 ( -2.795 -4.066 -0.459) 4.956 6.394 ( -1.203 -1.664 0.312) 2.077 6.416 ( 0.840 -2.994 -0.536) 3.155 6.503 ( 0.506 -1.484 3.392) 3.737 6.591 ( 2.199 -6.201 -1.096) 6.670 7.397 ( -0.151 -0.627 -0.138) 0.659 8.124 ( 0.038 -0.512 -0.393) 0.647 8.160 ( -0.062 -0.519 -0.357) 0.633 8.224 ( -0.287 0.354 0.499) 0.676 ======================= Grid point 95 (52/77) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -3.497 0.004 5.916) 6.872 1.674 ( 0.317 0.004 4.728) 4.739 1.773 ( -1.498 0.007 5.468) 5.669 1.867 ( 3.150 -0.000 11.569) 11.991 1.984 ( -0.522 0.003 4.302) 4.334 2.068 ( 1.548 0.003 10.345) 10.460 2.242 ( 0.494 0.001 0.642) 0.810 2.291 ( -2.415 0.003 2.279) 3.320 2.376 ( -1.511 0.002 1.670) 2.253 2.514 ( -1.177 0.002 0.404) 1.245 2.584 ( -3.081 0.000 -4.490) 5.445 2.619 ( 3.583 0.001 -2.486) 4.361 2.654 ( 2.011 0.000 -8.632) 8.863 2.823 ( -1.500 0.026 -9.856) 9.970 2.825 ( 3.047 -0.025 -1.156) 3.259 2.912 ( 3.790 -0.001 1.110) 3.949 2.945 ( -0.451 0.003 -5.736) 5.754 3.062 ( -5.049 0.000 0.812) 5.114 3.075 ( -2.679 0.001 -1.129) 2.907 3.177 ( 2.716 -0.003 3.021) 4.062 3.191 ( 2.955 0.004 -1.735) 3.427 3.293 ( -1.421 0.001 -0.019) 1.421 3.368 ( 0.614 0.001 0.106) 0.623 3.463 ( -2.923 0.001 -10.424) 10.826 3.890 ( 0.134 0.003 -1.136) 1.144 4.022 ( 6.151 -0.012 1.413) 6.311 4.030 ( 1.023 0.015 -0.159) 1.036 4.141 ( -7.327 0.000 -1.416) 7.463 4.435 ( 8.422 0.005 2.692) 8.842 4.539 ( 1.921 0.001 1.335) 2.339 4.591 ( -4.955 0.009 -2.828) 5.705 4.676 ( -1.790 0.005 0.167) 1.797 4.965 ( 0.230 0.012 6.479) 6.483 4.973 ( -0.234 -0.003 1.852) 1.867 5.202 ( 0.057 0.004 1.268) 1.269 5.267 ( -1.200 0.002 -5.578) 5.706 5.360 ( 0.284 0.010 1.751) 1.774 5.400 ( -3.004 0.002 -4.454) 5.373 5.476 ( 0.694 0.007 -3.533) 3.601 5.500 ( 0.059 -0.010 -0.078) 0.098 5.610 ( 2.619 0.016 2.801) 3.834 5.643 ( 0.206 -0.006 2.888) 2.895 5.718 ( 0.315 0.000 -0.676) 0.746 5.763 ( -0.624 0.001 -1.259) 1.405 5.829 ( -0.096 0.008 0.704) 0.710 5.887 ( -0.126 -0.006 1.525) 1.530 6.007 ( 0.312 -0.000 2.753) 2.770 6.063 ( -0.033 -0.001 0.712) 0.713 6.068 ( -1.611 0.002 0.350) 1.649 6.115 ( -0.121 0.002 -0.913) 0.921 6.213 ( 1.909 0.003 -0.304) 1.933 6.267 ( -0.784 0.003 -0.002) 0.784 6.357 ( -0.620 0.001 -0.466) 0.775 6.394 ( 0.493 0.001 -2.238) 2.292 6.514 ( 0.014 0.007 -0.492) 0.493 6.524 ( 0.090 -0.006 2.587) 2.589 7.387 ( 0.031 0.001 -0.088) 0.093 8.117 ( 0.042 0.000 -0.460) 0.462 8.153 ( 0.036 0.000 -0.366) 0.368 8.223 ( -0.065 0.000 0.549) 0.553 ======================= Grid point 97 (53/77) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.875 0.014 7.374) 7.426 1.749 ( 4.153 0.012 6.388) 7.619 1.854 ( 6.731 0.001 5.390) 8.623 2.019 ( 9.371 -0.002 10.808) 14.305 2.041 ( 4.741 -0.001 -0.384) 4.756 2.167 ( 4.377 0.003 17.521) 18.060 2.273 ( 2.925 0.007 -1.535) 3.303 2.286 ( 3.107 -0.002 1.849) 3.615 2.410 ( 3.820 -0.000 -0.408) 3.841 2.517 ( 1.118 0.004 -2.465) 2.707 2.555 ( 2.100 -0.000 -3.785) 4.328 2.650 ( -1.339 0.001 -6.343) 6.483 2.694 ( 4.431 0.002 -1.177) 4.584 2.802 ( 1.852 0.003 -5.987) 6.267 2.830 ( -4.123 -0.002 1.777) 4.489 2.874 ( -8.863 -0.015 -6.458) 10.966 2.885 ( -4.168 0.018 -3.462) 5.419 2.981 ( -0.707 0.002 -6.576) 6.614 3.014 ( -0.195 -0.001 4.469) 4.474 3.211 ( -4.253 0.001 -4.210) 5.984 3.224 ( -0.234 -0.002 -0.168) 0.288 3.259 ( 1.330 0.001 4.678) 4.864 3.310 ( -7.353 0.000 -7.968) 10.843 3.331 ( -5.032 0.002 -0.488) 5.056 3.705 ( -15.392 0.002 -1.885) 15.507 3.827 ( -15.602 0.001 -3.540) 15.999 3.886 ( -11.064 0.002 0.667) 11.084 4.020 ( -6.542 -0.000 3.070) 7.227 4.604 ( 4.736 0.017 -1.253) 4.899 4.618 ( 6.564 0.004 -2.604) 7.061 4.701 ( 11.400 -0.003 0.980) 11.442 4.824 ( 9.851 0.004 1.714) 9.999 4.995 ( 1.819 0.015 2.174) 2.834 5.030 ( 4.502 -0.006 6.484) 7.894 5.209 ( 0.358 0.007 0.919) 0.986 5.234 ( -0.816 0.004 -4.493) 4.566 5.353 ( -0.402 0.015 -1.320) 1.380 5.394 ( 2.726 -0.011 1.468) 3.097 5.487 ( 0.671 0.020 -3.861) 3.919 5.513 ( 1.144 -0.017 -0.312) 1.186 5.644 ( -0.729 0.001 1.046) 1.275 5.650 ( 0.597 0.011 0.691) 0.913 5.711 ( -0.749 -0.003 -1.428) 1.613 5.757 ( 0.216 0.002 0.073) 0.228 5.857 ( 2.366 0.023 0.602) 2.442 5.880 ( -0.535 -0.022 2.099) 2.166 6.014 ( -0.221 0.006 1.853) 1.866 6.030 ( -1.620 -0.004 1.414) 2.150 6.056 ( -0.870 0.001 0.479) 0.993 6.095 ( -1.289 0.001 -0.805) 1.520 6.245 ( 0.908 0.003 -1.591) 1.831 6.273 ( 1.309 0.002 -0.327) 1.349 6.363 ( 1.425 0.003 0.334) 1.464 6.396 ( 0.039 0.001 -1.766) 1.767 6.491 ( -1.917 -0.001 -0.427) 1.964 6.518 ( -1.127 0.001 2.475) 2.719 7.391 ( 0.329 0.001 -0.121) 0.351 8.118 ( 0.150 0.000 -0.466) 0.490 8.155 ( 0.215 0.000 -0.367) 0.425 8.227 ( 0.284 0.000 0.552) 0.621 ======================= Grid point 99 (54/77) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.000 0.014 10.574) 10.622 1.811 ( -0.387 0.017 8.861) 8.870 2.027 ( 7.659 0.008 6.827) 10.260 2.077 ( -1.675 0.001 6.820) 7.022 2.277 ( 10.458 0.000 2.977) 10.874 2.351 ( 7.730 -0.003 -0.901) 7.783 2.366 ( 5.624 0.004 -5.924) 8.168 2.428 ( 7.412 0.002 9.472) 12.027 2.485 ( 4.268 -0.000 -2.038) 4.730 2.510 ( -2.594 -0.001 0.781) 2.710 2.574 ( -5.146 0.008 0.197) 5.149 2.581 ( -9.234 0.004 -4.671) 10.349 2.627 ( -10.583 -0.001 1.674) 10.714 2.744 ( 10.938 -0.003 1.470) 11.036 2.821 ( 4.673 0.005 -4.602) 6.559 2.843 ( 2.962 0.002 -2.346) 3.778 2.893 ( 4.842 0.000 -2.957) 5.674 2.984 ( -4.248 0.001 0.909) 4.345 3.001 ( 1.844 -0.000 -0.309) 1.870 3.069 ( -10.524 0.005 -6.279) 12.255 3.105 ( -3.132 0.002 -3.722) 4.864 3.207 ( 0.857 -0.003 -2.523) 2.664 3.243 ( -4.337 0.084 -1.548) 4.605 3.245 ( -4.040 -0.078 -2.002) 4.510 3.361 ( -12.470 -0.001 -0.084) 12.470 3.532 ( -9.475 -0.000 -6.097) 11.267 3.691 ( -5.705 0.003 -0.669) 5.744 3.906 ( -3.659 0.001 2.071) 4.205 4.688 ( 2.534 0.008 -1.704) 3.054 4.737 ( 3.576 0.008 -1.738) 3.976 4.863 ( 3.723 0.003 0.833) 3.815 4.979 ( 3.750 0.002 2.214) 4.355 5.042 ( 1.538 0.021 2.464) 2.905 5.160 ( 4.860 -0.005 4.672) 6.742 5.205 ( -1.144 -0.005 -1.141) 1.615 5.221 ( 0.707 0.021 0.913) 1.156 5.372 ( 1.351 0.008 1.366) 1.921 5.466 ( 0.415 0.005 -2.036) 2.077 5.483 ( 2.546 0.001 -0.856) 2.686 5.535 ( 0.841 -0.009 -1.163) 1.435 5.614 ( -1.945 0.003 -1.723) 2.598 5.653 ( -0.287 0.002 0.492) 0.570 5.674 ( -1.747 0.002 -3.693) 4.085 5.772 ( 0.935 0.002 1.875) 2.095 5.877 ( -0.590 0.014 2.391) 2.463 5.916 ( 2.824 -0.011 0.267) 2.836 5.984 ( -2.874 -0.004 0.045) 2.874 6.012 ( 0.286 0.008 0.187) 0.342 6.062 ( 0.919 0.005 3.507) 3.625 6.065 ( -1.524 -0.006 -0.171) 1.534 6.249 ( 0.148 0.003 -2.741) 2.745 6.313 ( 2.274 -0.000 -0.678) 2.373 6.385 ( -0.844 -0.001 -1.445) 1.674 6.405 ( 2.024 0.007 0.445) 2.072 6.442 ( -2.331 -0.001 -0.247) 2.344 6.497 ( -1.069 0.002 2.592) 2.803 7.397 ( 0.179 0.001 -0.179) 0.253 8.120 ( 0.114 0.000 -0.491) 0.504 8.160 ( 0.203 0.001 -0.356) 0.409 8.235 ( 0.213 0.000 0.575) 0.613 ======================= Grid point 101 (55/77) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -0.739 0.005 11.642) 11.666 1.786 ( -3.036 0.006 8.584) 9.105 2.023 ( -4.097 -0.001 10.386) 11.165 2.167 ( -1.432 0.018 5.021) 5.221 2.208 ( -17.019 0.021 0.431) 17.025 2.269 ( -11.038 -0.026 5.695) 12.421 2.305 ( -3.868 0.009 -4.282) 5.771 2.343 ( -5.140 -0.002 -2.000) 5.515 2.491 ( 6.084 -0.001 -5.474) 8.184 2.542 ( 3.867 0.002 -2.129) 4.415 2.637 ( 7.742 0.045 -2.882) 8.261 2.644 ( 0.957 -0.041 4.111) 4.222 2.713 ( -0.548 0.005 5.718) 5.744 2.725 ( -8.694 -0.026 -1.367) 8.801 2.730 ( -3.070 0.024 -0.064) 3.071 2.875 ( -5.513 0.000 -2.196) 5.934 2.940 ( 2.934 -0.000 -2.237) 3.689 2.994 ( 4.885 0.001 -2.306) 5.402 3.015 ( 8.505 -0.000 1.158) 8.584 3.080 ( 0.263 0.013 -3.995) 4.004 3.133 ( 8.168 0.004 -2.272) 8.478 3.143 ( -1.588 -0.007 -8.576) 8.722 3.248 ( 1.191 -0.002 -0.745) 1.405 3.338 ( 5.774 0.006 3.689) 6.852 3.346 ( 17.028 0.000 -0.606) 17.039 3.471 ( 8.666 -0.001 -11.300) 14.240 3.661 ( 2.609 0.001 -0.406) 2.641 3.886 ( 1.676 0.001 2.367) 2.900 4.685 ( -2.533 0.009 -1.674) 3.037 4.725 ( -4.640 0.001 -1.351) 4.833 4.872 ( -2.761 0.003 0.629) 2.831 4.974 ( -4.252 0.004 2.301) 4.835 5.055 ( -1.194 0.006 2.320) 2.609 5.112 ( -5.526 0.001 2.147) 5.928 5.228 ( -0.993 0.015 0.635) 1.179 5.273 ( 2.853 0.011 2.368) 3.708 5.405 ( 2.176 -0.012 3.088) 3.778 5.413 ( -2.911 0.013 -2.479) 3.823 5.539 ( -1.106 -0.089 -2.412) 2.655 5.544 ( 0.135 0.096 -3.092) 3.096 5.585 ( 1.866 0.154 -0.651) 1.982 5.593 ( -3.345 -0.149 -1.092) 3.522 5.683 ( 1.167 -0.002 -1.435) 1.850 5.803 ( 1.310 0.005 1.203) 1.778 5.853 ( -1.725 0.008 2.920) 3.391 5.915 ( -3.143 -0.009 0.213) 3.150 5.977 ( 2.560 -0.001 0.282) 2.575 6.026 ( -1.137 -0.001 0.867) 1.430 6.048 ( 1.944 -0.003 -0.869) 2.130 6.092 ( 0.971 0.005 3.773) 3.896 6.233 ( -1.375 -0.001 -3.337) 3.610 6.349 ( -1.333 0.004 0.397) 1.391 6.359 ( 1.153 -0.000 -2.578) 2.824 6.401 ( -1.439 0.004 0.347) 1.480 6.448 ( 2.145 0.003 -0.178) 2.153 6.492 ( 0.103 -0.002 2.673) 2.675 7.396 ( -0.186 0.001 -0.180) 0.259 8.120 ( -0.018 -0.000 -0.489) 0.490 8.160 ( -0.124 0.001 -0.356) 0.377 8.235 ( -0.304 0.000 0.573) 0.649 ======================= Grid point 103 (56/77) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -3.252 0.001 6.053) 6.871 1.756 ( -2.574 0.011 11.321) 11.610 1.891 ( -10.734 0.033 3.456) 11.276 1.906 ( -10.413 -0.028 2.070) 10.617 2.002 ( -3.959 0.002 16.757) 17.218 2.118 ( -6.646 0.003 -0.874) 6.704 2.248 ( -1.234 -0.000 -0.035) 1.235 2.330 ( -0.905 0.004 4.186) 4.283 2.473 ( -7.840 -0.000 1.708) 8.024 2.560 ( 0.449 0.001 -4.170) 4.195 2.579 ( -4.134 0.003 0.579) 4.175 2.596 ( 3.187 -0.001 -4.042) 5.147 2.701 ( -4.951 -0.001 -8.320) 9.681 2.715 ( 6.085 0.004 1.974) 6.398 2.796 ( 6.390 -0.000 0.651) 6.423 2.882 ( -0.894 0.001 -10.876) 10.913 2.989 ( -1.864 -0.000 -6.015) 6.297 3.000 ( 5.509 0.000 3.809) 6.698 3.085 ( 4.726 -0.000 -6.891) 8.356 3.171 ( 1.383 -0.136 -0.485) 1.472 3.172 ( -2.281 0.139 4.083) 4.679 3.275 ( 7.847 0.001 -0.470) 7.861 3.281 ( 1.846 0.001 1.613) 2.452 3.462 ( 5.350 0.001 -8.313) 9.886 3.737 ( 14.255 0.004 -3.865) 14.770 3.762 ( 15.637 -0.004 -1.942) 15.757 3.815 ( 13.264 0.005 2.853) 13.567 4.015 ( 10.233 0.001 2.233) 10.473 4.548 ( -10.919 0.006 -1.250) 10.990 4.588 ( -5.431 -0.000 -1.138) 5.549 4.758 ( -7.888 0.005 0.009) 7.888 4.835 ( -9.024 0.003 1.927) 9.228 5.000 ( -4.688 -0.031 4.937) 6.808 5.003 ( -2.977 0.042 1.433) 3.304 5.203 ( -0.652 0.009 0.994) 1.188 5.298 ( -0.410 0.002 -3.107) 3.134 5.365 ( -1.068 0.002 0.910) 1.403 5.460 ( 0.180 0.019 -0.184) 0.258 5.490 ( -1.512 0.005 -3.694) 3.992 5.511 ( -1.396 -0.013 -3.350) 3.629 5.557 ( 0.551 0.009 2.433) 2.494 5.627 ( 1.063 -0.003 1.651) 1.964 5.703 ( 1.052 -0.000 -0.796) 1.319 5.789 ( -1.603 0.005 -0.837) 1.809 5.856 ( -2.309 0.024 0.529) 2.369 5.868 ( 1.469 -0.027 2.865) 3.220 6.003 ( -0.695 -0.000 1.741) 1.874 6.031 ( 2.281 -0.000 0.547) 2.346 6.096 ( 2.043 -0.006 -0.796) 2.193 6.105 ( -0.968 0.009 2.545) 2.723 6.195 ( -0.530 0.001 -2.740) 2.791 6.302 ( -2.226 0.004 -0.082) 2.227 6.377 ( -1.090 0.002 0.160) 1.102 6.384 ( 1.006 0.000 -2.150) 2.373 6.492 ( 1.892 0.007 -0.408) 1.935 6.508 ( 0.700 -0.006 2.675) 2.766 7.390 ( -0.283 0.001 -0.121) 0.308 8.118 ( -0.051 -0.000 -0.464) 0.467 8.155 ( -0.149 0.000 -0.367) 0.396 8.228 ( -0.407 0.000 0.551) 0.685 ======================= Grid point 130 (57/77) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.001 0.000 -0.005) 0.005 0.845 ( -0.000 0.000 -0.002) 0.002 0.890 ( -0.000 0.000 0.002) 0.002 0.906 ( 0.001 0.000 0.006) 0.006 1.443 ( 0.000 0.000 -0.000) 0.000 1.505 ( 0.000 0.000 0.001) 0.001 1.656 ( -0.000 0.000 0.000) 0.000 1.706 ( -0.000 0.000 -0.004) 0.004 1.891 ( 0.000 0.000 0.000) 0.000 2.000 ( -0.000 0.000 0.003) 0.003 2.246 ( -0.000 0.000 0.000) 0.000 2.330 ( -0.000 0.000 0.002) 0.002 2.396 ( -0.000 0.000 0.000) 0.000 2.473 ( -0.000 0.000 0.001) 0.001 2.499 ( -0.001 0.000 0.000) 0.001 2.523 ( -0.001 0.000 -0.000) 0.001 2.528 ( 0.001 0.000 0.002) 0.003 2.610 ( 0.000 0.000 0.000) 0.000 2.800 ( -0.000 0.000 0.001) 0.001 2.856 ( 0.000 0.000 -0.001) 0.001 3.042 ( -0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 -0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.159 ( -0.000 0.000 0.000) 0.001 3.190 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.694 ( -0.000 0.000 -0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 4.059 ( -0.000 0.000 0.000) 0.000 4.132 ( -0.000 0.000 0.000) 0.000 4.330 ( -0.002 0.000 -0.002) 0.003 4.360 ( 0.002 0.000 0.002) 0.003 4.584 ( -0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 -0.000) 0.000 4.987 ( -0.000 0.000 -0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.102 ( -0.000 0.000 0.000) 0.000 5.281 ( -0.000 0.000 0.000) 0.000 5.421 ( -0.000 0.000 0.000) 0.000 5.772 ( -0.000 0.000 0.000) 0.000 5.774 ( -0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.181 ( -0.000 0.000 0.000) 0.000 6.203 ( -0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.219 ( -0.000 0.000 0.000) 0.000 6.312 ( -0.000 0.000 0.001) 0.001 6.360 ( 0.000 0.000 0.000) 0.000 6.416 ( -0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.727 ( -0.000 0.000 0.000) 0.000 6.804 ( -0.001 0.000 0.000) 0.001 6.942 ( 0.001 0.000 0.000) 0.001 7.502 ( 0.000 0.000 0.000) 0.000 8.187 ( -0.000 0.000 0.000) 0.000 8.209 ( 0.000 0.000 -0.000) 0.000 8.324 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 132 (58/77) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 17.281 0.000 -11.254) 20.623 0.966 ( 13.794 0.000 -6.665) 15.320 1.126 ( 17.890 0.000 7.054) 19.231 1.167 ( 18.203 0.000 11.858) 21.725 1.541 ( 7.421 0.000 7.541) 10.580 1.701 ( 13.266 0.000 -6.047) 14.579 1.758 ( 8.895 0.000 -1.460) 9.014 1.856 ( 15.032 0.000 -16.316) 22.185 1.927 ( 2.991 0.000 -0.085) 2.992 2.060 ( 2.112 0.000 0.799) 2.258 2.133 ( -10.254 0.000 -0.154) 10.255 2.228 ( -1.384 0.000 7.725) 7.848 2.409 ( -6.721 0.000 -2.659) 7.228 2.438 ( 2.855 0.000 1.755) 3.351 2.459 ( -2.709 0.000 2.980) 4.027 2.525 ( 0.617 0.000 8.778) 8.799 2.565 ( -4.225 0.000 -0.293) 4.235 2.595 ( 2.909 0.000 2.370) 3.752 2.754 ( -3.438 0.000 -0.946) 3.566 2.854 ( -0.676 0.000 -1.838) 1.958 2.970 ( -9.096 0.000 1.209) 9.175 3.037 ( -0.625 0.000 -0.013) 0.625 3.060 ( -0.688 0.000 -0.088) 0.694 3.154 ( 0.954 0.000 0.401) 1.035 3.199 ( 0.802 0.000 0.037) 0.803 3.437 ( -0.901 0.000 0.016) 0.901 3.491 ( -17.784 0.000 6.371) 18.891 3.701 ( -18.443 0.000 1.076) 18.475 3.757 ( -17.290 0.000 -7.945) 19.029 4.004 ( -4.527 0.000 -8.593) 9.712 4.201 ( -3.545 0.000 -1.793) 3.972 4.538 ( 6.502 0.000 0.956) 6.572 4.735 ( 10.818 0.000 5.020) 11.926 4.815 ( 10.483 0.000 1.003) 10.530 5.065 ( 3.165 0.000 3.683) 4.856 5.097 ( -0.247 0.000 3.253) 3.262 5.130 ( 5.830 0.000 -1.785) 6.098 5.334 ( 3.245 0.000 0.395) 3.269 5.372 ( -1.818 0.000 -4.570) 4.919 5.782 ( 0.722 0.000 0.388) 0.820 5.793 ( 0.808 0.000 -0.442) 0.921 5.795 ( 1.485 0.000 -0.714) 1.648 5.940 ( 1.037 0.000 0.104) 1.042 6.052 ( -0.389 0.000 -0.041) 0.391 6.161 ( 3.078 0.000 0.947) 3.220 6.184 ( 0.121 0.000 0.050) 0.131 6.199 ( -0.268 0.000 -0.024) 0.270 6.233 ( 1.200 0.000 -0.033) 1.201 6.244 ( 1.616 0.000 -0.165) 1.624 6.274 ( 0.665 0.000 2.914) 2.989 6.405 ( 2.674 0.000 -3.269) 4.223 6.407 ( -0.754 0.000 0.000) 0.754 6.540 ( 1.172 0.000 -0.186) 1.187 6.604 ( -3.898 0.000 -4.883) 6.248 6.724 ( -0.390 0.000 0.758) 0.852 6.831 ( -8.462 0.000 1.838) 8.659 7.505 ( -0.265 0.000 0.526) 0.589 8.173 ( -1.444 0.000 -0.731) 1.619 8.190 ( -0.280 0.000 0.040) 0.283 8.341 ( 0.542 0.000 0.392) 0.669 ======================= Grid point 133 (59/77) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 12.688 0.000 -7.777) 14.881 1.372 ( 20.597 0.000 -4.075) 20.996 1.498 ( 8.674 0.000 14.847) 17.195 1.572 ( 15.368 0.000 5.146) 16.207 1.653 ( 4.081 0.000 1.747) 4.439 1.824 ( -15.662 0.000 -0.555) 15.672 1.920 ( -0.452 0.000 -6.204) 6.221 1.924 ( -0.269 0.000 -0.331) 0.427 2.030 ( 8.316 0.000 1.000) 8.376 2.066 ( 11.486 0.000 -4.866) 12.475 2.164 ( 11.587 0.000 -9.710) 15.118 2.224 ( -8.894 0.000 -2.413) 9.216 2.385 ( 9.109 0.000 -7.662) 11.903 2.402 ( -2.226 0.000 1.245) 2.550 2.449 ( -5.329 0.000 -0.211) 5.333 2.489 ( -2.960 0.000 7.531) 8.092 2.562 ( 0.630 0.000 1.781) 1.889 2.662 ( 5.333 0.000 12.654) 13.732 2.687 ( -2.563 0.000 3.697) 4.498 2.777 ( -6.516 0.000 0.927) 6.581 2.868 ( -0.522 0.000 2.329) 2.387 3.023 ( -0.425 0.000 0.024) 0.426 3.044 ( -11.970 0.000 7.434) 14.091 3.047 ( -0.434 0.000 -0.046) 0.436 3.181 ( -14.206 0.000 -11.295) 18.149 3.216 ( 0.558 0.000 0.013) 0.558 3.279 ( -5.611 0.000 1.663) 5.852 3.421 ( -0.493 0.000 0.012) 0.493 3.501 ( -7.540 0.000 -6.125) 9.714 3.958 ( -0.024 0.000 -1.500) 1.500 4.151 ( -0.838 0.000 -0.972) 1.284 4.698 ( 5.497 0.000 -0.656) 5.536 4.898 ( 2.954 0.000 2.383) 3.796 4.965 ( 2.849 0.000 1.408) 3.178 5.061 ( -1.232 0.000 -1.593) 2.014 5.165 ( 4.421 0.000 4.414) 6.247 5.257 ( 4.271 0.000 2.491) 4.945 5.334 ( -0.479 0.000 -3.653) 3.684 5.375 ( -0.461 0.000 -1.974) 2.027 5.796 ( 0.406 0.000 0.282) 0.494 5.808 ( 0.507 0.000 -0.322) 0.600 5.817 ( 0.644 0.000 -0.430) 0.775 5.964 ( 0.921 0.000 0.091) 0.925 6.042 ( -0.467 0.000 -0.046) 0.469 6.184 ( -0.058 0.000 0.036) 0.068 6.195 ( -0.114 0.000 -0.022) 0.116 6.214 ( 0.435 0.000 -1.380) 1.447 6.261 ( 1.013 0.000 -0.021) 1.013 6.265 ( 2.712 0.000 3.415) 4.361 6.360 ( 1.809 0.000 1.735) 2.507 6.389 ( -0.689 0.000 0.002) 0.689 6.444 ( 3.158 0.000 -0.578) 3.211 6.529 ( -2.512 0.000 -3.762) 4.524 6.577 ( 0.581 0.000 -1.320) 1.442 6.720 ( -0.470 0.000 1.434) 1.509 6.752 ( -0.480 0.000 0.183) 0.514 7.500 ( -0.203 0.000 0.290) 0.354 8.154 ( -0.223 0.000 -0.440) 0.493 8.183 ( -0.418 0.000 0.145) 0.443 8.347 ( 0.082 0.000 0.207) 0.223 ======================= Grid point 136 (60/77) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.013 19.946 -0.016) 19.946 1.048 ( -0.013 16.531 0.016) 16.531 1.121 ( -0.010 22.668 -0.012) 22.668 1.136 ( 0.009 16.369 0.012) 16.369 1.542 ( 0.001 9.138 -0.000) 9.138 1.616 ( -0.000 10.161 0.001) 10.161 1.872 ( -0.001 19.101 -0.001) 19.101 1.887 ( 0.000 17.535 -0.004) 17.535 2.064 ( -0.001 14.379 -0.014) 14.379 2.076 ( 0.001 7.911 0.017) 7.911 2.262 ( -0.002 -0.396 0.001) 0.396 2.304 ( 0.002 -5.525 0.001) 5.525 2.323 ( 0.000 1.592 0.001) 1.592 2.452 ( -0.001 -0.586 0.001) 0.586 2.523 ( 0.000 0.836 -0.002) 0.836 2.527 ( -0.000 2.193 0.003) 2.193 2.666 ( -0.004 8.551 0.003) 8.551 2.670 ( 0.004 3.678 -0.002) 3.678 2.809 ( -0.000 1.472 0.000) 1.472 2.877 ( 0.000 2.532 -0.000) 2.532 3.019 ( 0.000 -3.588 0.000) 3.588 3.050 ( -0.000 -0.525 0.000) 0.525 3.096 ( -0.000 -3.718 0.000) 3.718 3.150 ( 0.000 3.805 0.000) 3.805 3.193 ( 0.000 -0.123 0.000) 0.123 3.360 ( -0.000 -7.784 0.000) 7.784 3.701 ( -0.000 0.912 -0.000) 0.912 3.858 ( 0.000 0.373 0.000) 0.373 4.076 ( -0.000 1.680 0.000) 1.680 4.148 ( 0.000 -0.022 0.000) 0.022 4.305 ( -0.002 -1.850 -0.001) 1.850 4.366 ( 0.001 1.525 0.001) 1.525 4.590 ( 0.000 1.064 0.000) 1.064 4.698 ( 0.000 -1.811 -0.000) 1.811 4.975 ( -0.000 -0.796 -0.000) 0.796 5.014 ( 0.000 -2.793 0.000) 2.793 5.079 ( -0.000 -1.985 0.000) 1.985 5.240 ( -0.000 -3.823 0.000) 3.823 5.368 ( -0.000 -4.323 0.000) 4.323 5.725 ( -0.000 -3.622 0.000) 3.622 5.813 ( -0.000 3.202 0.000) 3.202 5.827 ( 0.000 2.934 0.000) 2.934 5.943 ( 0.000 0.979 0.000) 0.979 6.083 ( 0.000 -2.899 0.000) 2.899 6.097 ( 0.000 1.961 0.000) 1.961 6.151 ( -0.000 -2.660 0.000) 2.660 6.231 ( 0.001 1.974 -0.001) 1.974 6.234 ( -0.001 0.637 0.001) 0.637 6.253 ( 0.000 2.803 0.000) 2.803 6.281 ( -0.000 -2.509 0.000) 2.509 6.335 ( 0.000 -1.999 0.000) 1.999 6.446 ( -0.000 1.272 0.000) 1.272 6.515 ( 0.000 -0.620 0.000) 0.620 6.698 ( -0.000 -2.690 0.000) 2.690 6.849 ( -0.003 3.687 0.001) 3.687 6.904 ( 0.003 -3.397 -0.001) 3.397 7.494 ( 0.000 -0.734 0.000) 0.734 8.181 ( -0.000 -0.546 0.000) 0.546 8.207 ( 0.000 -0.069 0.000) 0.069 8.305 ( 0.000 -1.746 0.000) 1.746 ======================= Grid point 138 (61/77) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 3.703 11.389 -13.788) 18.263 1.017 ( 6.872 5.415 13.156) 15.800 1.293 ( 13.143 16.875 -9.335) 23.338 1.443 ( 12.900 13.605 10.586) 21.530 1.613 ( 5.935 7.482 8.959) 13.094 1.667 ( 6.230 3.563 -0.293) 7.182 1.932 ( 3.808 9.566 -17.534) 20.333 2.042 ( 3.897 9.605 -7.686) 12.904 2.070 ( -4.514 4.239 -0.053) 6.192 2.121 ( 7.465 12.380 -5.230) 15.374 2.183 ( 1.615 12.065 4.324) 12.918 2.265 ( -0.210 3.733 12.296) 12.852 2.398 ( -2.963 3.183 -2.001) 4.787 2.414 ( 1.966 -1.944 8.306) 8.754 2.504 ( 0.839 4.331 -0.018) 4.412 2.574 ( -0.470 0.834 0.535) 1.097 2.609 ( -0.128 2.229 3.035) 3.768 2.653 ( -1.194 6.211 1.504) 6.501 2.766 ( -2.825 1.161 -1.991) 3.646 2.890 ( 0.486 4.274 0.675) 4.355 2.964 ( -4.519 0.071 -0.588) 4.557 3.050 ( 0.208 0.582 0.104) 0.626 3.074 ( -0.851 1.062 0.851) 1.605 3.158 ( 0.952 0.900 0.379) 1.364 3.208 ( 1.316 1.088 -0.706) 1.848 3.341 ( -1.967 -5.485 -0.704) 5.869 3.562 ( -13.632 6.281 5.364) 15.939 3.753 ( -8.192 2.914 -0.504) 8.710 3.881 ( -18.315 10.585 -3.495) 21.440 4.008 ( -4.619 0.712 -9.549) 10.632 4.187 ( -1.718 -1.243 -1.112) 2.394 4.527 ( 5.755 -1.184 1.312) 6.020 4.714 ( 8.488 -1.635 4.776) 9.875 4.772 ( 8.389 -3.865 0.386) 9.244 5.043 ( 3.454 -1.845 2.787) 4.807 5.072 ( -1.105 -2.598 -1.453) 3.176 5.089 ( 5.852 -3.026 3.289) 7.363 5.287 ( 3.198 -4.203 0.026) 5.281 5.327 ( -1.951 -3.935 -4.219) 6.090 5.755 ( 1.960 -3.257 -0.789) 3.882 5.827 ( 1.106 3.682 0.657) 3.901 5.835 ( 0.776 3.185 -0.605) 3.333 5.959 ( 1.426 1.385 0.530) 2.058 6.082 ( -0.846 1.482 -0.771) 1.872 6.124 ( 3.127 -2.408 1.124) 4.104 6.177 ( 1.928 -2.322 1.418) 3.335 6.224 ( -2.027 -1.620 -0.285) 2.610 6.227 ( -1.543 1.689 1.576) 2.778 6.246 ( 0.734 0.672 0.006) 0.995 6.278 ( 2.753 1.591 0.520) 3.222 6.365 ( 2.015 -2.518 -2.674) 4.190 6.444 ( -0.329 1.071 -0.859) 1.412 6.529 ( 1.193 -1.063 -0.509) 1.677 6.607 ( -5.856 1.034 -3.208) 6.756 6.696 ( -0.527 -2.480 0.709) 2.632 6.805 ( -8.998 -2.090 1.070) 9.299 7.495 ( -0.386 -0.987 0.419) 1.140 8.172 ( -1.051 -0.248 -0.413) 1.157 8.185 ( -0.706 -0.313 -0.205) 0.799 8.320 ( 0.585 -1.868 0.400) 1.998 ======================= Grid point 139 (62/77) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 14.432 0.048 -10.022) 17.571 1.338 ( 17.847 -6.412 11.110) 21.979 1.474 ( 1.534 3.171 1.222) 3.729 1.600 ( 4.090 3.818 -2.388) 6.083 1.711 ( -7.955 -1.745 -6.184) 10.225 1.786 ( -7.538 -2.303 2.794) 8.363 1.873 ( 8.113 -3.019 3.077) 9.187 1.953 ( 4.660 7.190 5.146) 9.994 2.096 ( -5.943 4.973 1.423) 7.878 2.138 ( -6.818 0.232 1.907) 7.084 2.206 ( 0.126 1.249 -2.576) 2.866 2.301 ( -0.014 8.201 -7.003) 10.784 2.401 ( 10.635 10.234 -8.399) 16.982 2.510 ( 2.735 7.163 0.250) 7.672 2.569 ( 3.909 7.416 4.605) 9.565 2.602 ( 0.449 7.800 -3.260) 8.466 2.630 ( 0.141 6.628 -1.736) 6.853 2.718 ( 1.810 3.689 -0.144) 4.112 2.759 ( 6.356 6.575 6.621) 11.290 2.869 ( -1.236 8.945 1.655) 9.181 2.940 ( 3.003 8.725 7.586) 11.945 3.047 ( -1.988 2.757 4.241) 5.435 3.069 ( 0.683 4.355 0.571) 4.446 3.140 ( -5.553 4.560 3.665) 8.066 3.210 ( -4.820 3.045 -6.238) 8.450 3.245 ( -3.545 4.021 -1.830) 5.664 3.301 ( -5.413 3.785 1.969) 6.893 3.527 ( -10.687 8.795 -5.766) 14.994 3.583 ( -5.290 8.065 -1.494) 9.760 3.958 ( -0.267 0.197 -1.583) 1.617 4.162 ( -0.340 1.014 -0.988) 1.456 4.655 ( 4.347 -4.103 -0.379) 5.990 4.859 ( 3.315 -3.826 2.562) 5.673 4.903 ( 3.047 -6.012 0.925) 6.803 5.026 ( -1.862 -3.227 -1.548) 4.035 5.133 ( 3.180 -2.910 3.120) 5.322 5.205 ( 3.848 -4.577 3.100) 6.736 5.291 ( -0.563 -3.604 -3.864) 5.314 5.326 ( 0.006 -4.280 -1.432) 4.513 5.782 ( 0.662 -3.064 -0.454) 3.167 5.847 ( 0.497 3.383 0.120) 3.422 5.853 ( 0.651 4.589 -0.054) 4.635 5.995 ( 1.408 2.364 0.454) 2.789 6.063 ( -0.713 1.433 -0.372) 1.643 6.173 ( 0.599 -2.633 -1.314) 3.004 6.204 ( 0.194 1.190 0.610) 1.351 6.214 ( 0.448 0.152 1.198) 1.288 6.238 ( 2.353 -1.836 2.860) 4.134 6.262 ( 0.501 -0.648 -0.067) 0.822 6.329 ( 0.384 -2.978 -1.009) 3.168 6.412 ( 2.501 1.242 -0.065) 2.793 6.432 ( 0.789 -0.518 -0.053) 0.945 6.520 ( -3.400 -0.635 -3.566) 4.968 6.552 ( 0.754 -1.435 -0.184) 1.632 6.695 ( -0.134 -2.319 1.573) 2.806 6.711 ( -1.015 -3.482 -0.127) 3.629 7.487 ( -0.263 -1.180 0.238) 1.232 8.156 ( -0.139 0.201 -0.445) 0.508 8.174 ( -0.491 -0.757 0.183) 0.921 8.327 ( 0.090 -1.838 0.189) 1.850 ======================= Grid point 142 (63/77) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 67 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.000 18.108 -0.002) 18.108 1.507 ( 0.085 20.516 -0.051) 20.516 1.507 ( -0.086 23.638 0.051) 23.638 1.578 ( 0.000 19.170 0.001) 19.170 1.780 ( 0.001 12.807 -0.001) 12.807 1.880 ( -0.001 13.846 0.001) 13.846 2.195 ( -0.010 -3.768 -0.001) 3.768 2.202 ( 0.009 0.388 -0.001) 0.388 2.288 ( 0.000 1.489 0.001) 1.489 2.300 ( 0.000 16.510 -0.001) 16.510 2.353 ( -0.000 12.353 -0.001) 12.353 2.379 ( 0.001 24.288 0.003) 24.288 2.489 ( 0.001 10.826 -0.001) 10.826 2.507 ( -0.001 18.031 0.003) 18.031 2.579 ( 0.007 4.422 -0.015) 4.422 2.583 ( -0.007 5.002 0.016) 5.002 2.707 ( -0.000 0.016 0.001) 0.016 2.793 ( 0.000 3.725 -0.000) 3.725 2.868 ( -0.001 3.070 -0.001) 3.070 2.914 ( 0.001 -4.513 0.000) 4.513 2.971 ( -0.000 -4.194 0.001) 4.194 2.993 ( 0.000 5.430 0.001) 5.430 3.073 ( 0.000 -1.255 0.000) 1.255 3.172 ( 0.000 -8.713 0.000) 8.713 3.200 ( -0.000 1.519 0.000) 1.519 3.244 ( 0.000 4.874 0.001) 4.874 3.740 ( -0.000 3.242 -0.000) 3.242 3.891 ( -0.000 2.601 0.000) 2.601 4.106 ( 0.000 -2.715 0.000) 2.715 4.126 ( -0.000 3.066 0.000) 3.066 4.286 ( -0.001 0.685 -0.000) 0.685 4.432 ( 0.000 3.751 0.000) 3.751 4.642 ( 0.000 4.114 0.000) 4.114 4.697 ( -0.000 1.886 -0.000) 1.886 4.967 ( -0.000 0.223 -0.001) 0.223 4.973 ( 0.000 -0.819 0.000) 0.819 5.037 ( 0.000 -1.440 0.001) 1.440 5.137 ( -0.000 -5.797 0.000) 5.797 5.270 ( -0.000 -4.624 0.000) 4.624 5.631 ( -0.000 -5.146 0.000) 5.146 5.874 ( 0.000 1.489 0.000) 1.489 5.884 ( 0.000 1.832 0.000) 1.832 5.929 ( -0.000 -2.472 0.000) 2.472 6.049 ( 0.000 0.219 0.000) 0.219 6.062 ( -0.000 -4.479 0.000) 4.479 6.116 ( 0.000 -1.607 0.000) 1.607 6.186 ( -0.000 -4.366 0.001) 4.366 6.225 ( 0.000 -2.626 0.001) 2.626 6.233 ( -0.000 -2.366 -0.001) 2.366 6.307 ( 0.000 1.468 0.000) 1.468 6.325 ( -0.000 1.722 0.000) 1.722 6.423 ( 0.000 -3.580 0.000) 3.580 6.522 ( 0.000 1.404 0.001) 1.404 6.625 ( -0.000 -4.135 0.000) 4.135 6.818 ( -0.001 -4.659 0.001) 4.660 6.905 ( 0.001 0.885 -0.000) 0.885 7.472 ( 0.000 -1.306 0.000) 1.306 8.167 ( -0.000 -0.778 0.000) 0.778 8.208 ( 0.000 0.171 0.000) 0.171 8.260 ( 0.000 -2.392 0.000) 2.392 ======================= Grid point 144 (64/77) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -5.927 19.301 8.977) 22.097 1.348 ( -4.656 19.599 -12.242) 23.572 1.617 ( 2.537 14.345 -7.554) 16.410 1.695 ( 0.339 11.662 9.005) 14.738 1.795 ( 2.567 10.911 6.183) 12.801 1.845 ( -1.698 7.786 -2.348) 8.308 1.969 ( -10.499 0.461 -0.251) 10.512 2.108 ( -8.500 1.721 0.273) 8.677 2.257 ( -0.801 6.195 0.138) 6.248 2.345 ( -5.159 4.417 5.554) 8.773 2.357 ( -5.667 1.057 3.724) 6.863 2.491 ( 8.024 17.357 -6.215) 20.106 2.538 ( 0.794 7.497 -3.771) 8.429 2.561 ( 0.859 1.715 -0.983) 2.156 2.592 ( -1.106 6.717 -0.438) 6.822 2.648 ( 8.247 12.337 0.581) 14.851 2.705 ( 8.522 11.437 -4.110) 14.843 2.764 ( -2.640 2.890 7.067) 8.079 2.820 ( 6.617 10.612 -2.110) 12.683 2.981 ( 3.929 1.731 -2.618) 5.029 3.026 ( 4.873 1.155 -0.188) 5.012 3.057 ( 5.605 7.087 3.264) 9.607 3.116 ( 2.081 3.297 0.808) 3.982 3.181 ( 0.024 0.809 0.389) 0.898 3.261 ( 1.368 4.099 1.134) 4.467 3.284 ( 5.535 0.255 -0.498) 5.564 3.717 ( -3.625 7.317 1.769) 8.355 3.837 ( -6.116 5.810 1.379) 8.547 4.023 ( -3.394 2.036 -3.150) 5.058 4.130 ( -11.528 11.325 -5.605) 17.104 4.160 ( 0.991 -0.945 0.321) 1.407 4.484 ( 3.074 -2.850 0.806) 4.269 4.676 ( 2.575 -3.651 1.156) 4.615 4.703 ( 1.199 0.278 1.800) 2.180 4.976 ( 0.218 -4.437 -3.458) 5.629 5.019 ( 3.198 -0.942 1.170) 3.533 5.050 ( 0.749 -0.880 5.698) 5.814 5.176 ( 2.928 -6.167 -0.382) 6.837 5.237 ( -1.545 -4.212 -3.445) 5.656 5.668 ( 2.470 -4.784 -0.922) 5.462 5.896 ( 1.032 1.944 -0.036) 2.201 5.901 ( 2.266 2.177 0.358) 3.163 5.957 ( 2.381 -2.368 1.694) 3.761 6.060 ( 0.716 -0.832 -2.862) 3.065 6.085 ( 1.855 -4.958 1.171) 5.422 6.120 ( 0.855 -1.174 1.275) 1.932 6.158 ( -1.814 -3.594 1.364) 4.250 6.234 ( 0.642 -2.594 0.443) 2.709 6.248 ( 0.970 -1.420 -0.488) 1.788 6.294 ( -1.339 0.599 0.071) 1.469 6.365 ( 3.253 2.567 -0.269) 4.153 6.413 ( -0.735 -3.833 -1.893) 4.337 6.515 ( -0.574 0.111 -0.674) 0.892 6.610 ( -1.919 -2.940 0.699) 3.580 6.659 ( -4.421 0.022 0.808) 4.494 6.776 ( -9.649 -0.169 -1.562) 9.776 7.468 ( -0.551 -1.460 0.217) 1.575 8.159 ( -0.553 -0.798 0.057) 0.972 8.186 ( -1.160 0.434 -0.473) 1.326 8.271 ( 0.527 -2.646 0.337) 2.720 ======================= Grid point 145 (65/77) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 4.025 11.039 -9.724) 15.251 1.338 ( 8.146 6.435 9.773) 14.257 1.546 ( -5.920 4.628 1.799) 7.727 1.641 ( -12.691 -0.875 -6.326) 14.208 1.743 ( 1.754 8.744 -4.674) 10.068 1.771 ( -6.714 0.786 2.757) 7.300 1.902 ( 6.021 6.341 0.465) 8.756 2.061 ( -1.113 1.060 8.973) 9.103 2.093 ( -9.752 1.460 1.781) 10.020 2.247 ( -2.886 5.597 3.448) 7.180 2.290 ( -0.556 6.702 2.871) 7.312 2.435 ( -3.067 3.806 -7.506) 8.957 2.597 ( 1.362 2.433 -3.413) 4.407 2.632 ( 2.196 1.705 -0.830) 2.901 2.647 ( 4.135 8.006 1.855) 9.200 2.712 ( -2.008 1.052 1.467) 2.700 2.826 ( 6.071 9.317 0.494) 11.132 2.874 ( 4.811 10.767 -4.245) 12.534 2.992 ( 6.957 17.151 -6.543) 19.631 3.106 ( 4.394 3.973 1.281) 6.061 3.115 ( 3.633 10.150 0.868) 10.816 3.147 ( 1.355 5.199 -1.219) 5.510 3.191 ( 2.118 4.112 2.925) 5.473 3.240 ( 2.638 9.326 2.931) 10.125 3.305 ( 5.875 10.099 2.253) 11.899 3.408 ( 8.907 12.694 2.153) 15.656 3.516 ( -12.849 15.755 4.215) 20.763 3.721 ( -6.203 8.856 -3.242) 11.288 3.830 ( -12.366 15.484 -3.266) 20.083 3.981 ( -0.602 2.454 -1.432) 2.904 4.181 ( 0.623 0.156 -0.759) 0.994 4.536 ( 1.459 -7.238 -0.045) 7.384 4.730 ( 1.727 -10.006 0.110) 10.155 4.753 ( 2.130 -5.663 2.400) 6.509 4.940 ( -2.166 -4.797 -1.784) 5.557 5.058 ( 0.492 -3.822 1.373) 4.091 5.106 ( 2.457 -3.916 2.645) 5.326 5.211 ( 0.303 -4.100 -2.688) 4.912 5.227 ( 0.713 -4.189 -0.574) 4.287 5.702 ( 0.792 -4.354 -0.570) 4.462 5.916 ( 0.644 2.445 -0.118) 2.531 5.946 ( 1.296 3.357 0.491) 3.632 6.018 ( 2.368 -2.395 2.484) 4.185 6.055 ( -0.679 -1.419 -2.711) 3.134 6.113 ( 0.313 -3.502 -0.833) 3.614 6.148 ( 1.992 -6.392 1.846) 6.945 6.181 ( 1.999 -0.682 2.727) 3.449 6.243 ( -0.489 -0.201 1.081) 1.203 6.249 ( 0.029 -2.972 -1.611) 3.381 6.262 ( -1.375 -0.102 -1.418) 1.978 6.386 ( -0.556 -3.836 -1.339) 4.101 6.448 ( 3.500 1.736 -0.084) 3.908 6.500 ( -1.038 -0.721 -0.433) 1.336 6.574 ( -1.663 2.301 -0.112) 2.841 6.622 ( -0.918 -3.077 0.497) 3.249 6.658 ( -1.192 -1.633 0.064) 2.023 7.458 ( -0.347 -1.542 0.129) 1.586 8.151 ( -0.116 -0.878 -0.097) 0.891 8.169 ( -0.464 0.681 -0.067) 0.827 8.278 ( 0.104 -2.715 0.131) 2.720 ======================= Grid point 148 (66/77) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -0.001 8.948 -0.002) 8.948 1.872 ( 0.001 11.301 0.001) 11.301 1.935 ( -0.010 17.521 -0.006) 17.521 1.948 ( 0.010 12.983 0.005) 12.983 2.046 ( -0.001 10.252 0.001) 10.252 2.105 ( 0.002 9.005 0.003) 9.005 2.125 ( -0.001 3.169 -0.000) 3.169 2.215 ( -0.001 -2.237 0.001) 2.237 2.322 ( 0.001 6.019 0.000) 6.019 2.379 ( 0.000 -3.105 0.001) 3.105 2.479 ( -0.000 4.252 0.000) 4.252 2.610 ( 0.000 3.524 0.000) 3.524 2.686 ( 0.000 -1.400 0.002) 1.400 2.759 ( -0.001 2.645 0.000) 2.645 2.763 ( 0.001 -2.493 0.000) 2.493 2.783 ( -0.002 2.173 0.001) 2.173 2.831 ( -0.001 0.756 -0.001) 0.756 2.844 ( 0.002 -3.820 0.001) 3.820 2.880 ( 0.000 7.416 -0.002) 7.416 2.912 ( -0.000 7.051 0.001) 7.051 2.976 ( -0.001 5.670 -0.001) 5.670 3.085 ( 0.003 13.040 0.001) 13.040 3.107 ( -0.003 10.603 -0.000) 10.603 3.228 ( 0.000 17.609 0.001) 17.609 3.281 ( -0.000 9.841 0.001) 9.841 3.338 ( 0.001 3.877 0.002) 3.877 3.861 ( -0.000 8.861 -0.000) 8.861 3.944 ( 0.000 2.758 0.000) 2.758 4.088 ( -0.000 0.818 0.000) 0.818 4.198 ( 0.000 3.608 0.000) 3.608 4.328 ( -0.000 2.528 0.000) 2.528 4.481 ( -0.000 0.693 0.000) 0.693 4.758 ( 0.033 3.512 0.011) 3.513 4.759 ( -0.033 7.047 -0.011) 7.048 4.985 ( -0.015 2.123 -0.007) 2.123 4.986 ( 0.015 1.181 0.007) 1.181 5.035 ( -0.000 -2.579 -0.001) 2.579 5.058 ( 0.001 4.167 0.002) 4.167 5.205 ( -0.000 -0.971 0.001) 0.971 5.540 ( -0.000 -2.835 0.001) 2.835 5.805 ( 0.000 -5.588 0.000) 5.588 5.870 ( 0.001 -3.582 0.000) 3.582 5.919 ( -0.000 -0.635 0.000) 0.635 5.960 ( -0.000 -5.283 0.000) 5.283 6.053 ( -0.004 -1.821 0.007) 1.821 6.055 ( 0.004 -3.645 -0.004) 3.645 6.095 ( -0.000 -2.878 -0.002) 2.878 6.165 ( -0.000 -3.099 0.000) 3.099 6.197 ( 0.000 -0.591 -0.000) 0.591 6.308 ( -0.000 -0.755 0.001) 0.755 6.325 ( 0.000 -5.390 -0.001) 5.390 6.368 ( 0.000 1.415 0.000) 1.415 6.535 ( 0.005 -4.475 0.004) 4.475 6.539 ( -0.005 -0.332 -0.003) 0.332 6.720 ( -0.000 -4.695 0.001) 4.695 6.874 ( 0.000 -3.815 -0.000) 3.815 7.443 ( 0.000 -1.489 0.000) 1.489 8.150 ( -0.000 -0.845 0.000) 0.845 8.213 ( 0.001 -2.077 0.000) 2.077 8.214 ( -0.001 0.400 -0.000) 0.400 ======================= Grid point 150 (67/77) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -5.140 10.534 -8.135) 14.268 1.714 ( -7.553 18.672 0.472) 20.147 1.832 ( -11.308 3.106 1.457) 11.817 1.913 ( -7.913 6.833 6.622) 12.375 1.953 ( -3.605 9.155 0.224) 9.841 2.024 ( -10.606 7.799 -1.128) 13.213 2.059 ( 1.955 11.451 1.707) 11.742 2.221 ( -3.793 8.847 3.193) 10.141 2.319 ( 0.634 -0.303 5.914) 5.956 2.353 ( -9.580 2.695 2.326) 10.220 2.440 ( -3.145 4.128 2.665) 5.834 2.509 ( 3.122 -1.534 0.432) 3.505 2.567 ( -5.682 -0.599 -3.080) 6.491 2.634 ( -4.642 -2.119 -7.652) 9.198 2.765 ( -3.237 -0.192 5.979) 6.802 2.770 ( 2.797 6.025 -3.740) 7.623 2.915 ( 5.149 1.554 -3.725) 6.543 2.938 ( 4.813 8.764 -6.524) 11.939 2.979 ( 7.764 -1.600 -3.101) 8.512 3.043 ( 8.386 6.338 -3.383) 11.042 3.113 ( 9.146 -0.402 1.051) 9.215 3.180 ( 8.124 6.784 2.657) 10.913 3.288 ( 3.686 7.478 -1.317) 8.440 3.294 ( 5.495 9.077 0.670) 10.632 3.370 ( 6.694 10.828 -0.875) 12.760 3.433 ( 15.112 22.290 9.839) 28.671 3.858 ( -0.098 7.232 0.721) 7.269 3.961 ( 0.822 5.325 -0.730) 5.437 4.062 ( -2.340 0.677 1.684) 2.961 4.181 ( -2.239 4.112 0.166) 4.685 4.299 ( -2.840 1.414 -0.784) 3.268 4.459 ( -2.430 2.548 -2.857) 4.534 4.647 ( -6.213 2.458 -0.753) 6.724 4.743 ( -2.893 3.328 0.787) 4.479 4.931 ( -3.368 1.143 -1.295) 3.785 5.023 ( 1.242 0.442 0.999) 1.654 5.069 ( 0.795 1.804 1.505) 2.480 5.070 ( 1.707 -0.688 1.195) 2.194 5.177 ( -0.408 -0.982 -2.426) 2.649 5.584 ( 2.940 -2.668 -0.832) 4.056 5.834 ( 2.636 -6.075 1.105) 6.713 5.879 ( 1.074 -3.521 -0.276) 3.691 5.939 ( 0.325 -2.393 -0.291) 2.432 5.973 ( 2.102 -4.546 1.749) 5.305 6.038 ( -1.284 -4.717 -3.059) 5.767 6.057 ( 0.388 -1.338 0.323) 1.430 6.117 ( 1.719 -1.637 2.405) 3.379 6.172 ( 1.036 -2.447 1.440) 3.022 6.208 ( 0.360 -1.814 -1.400) 2.320 6.296 ( -1.295 -0.741 1.192) 1.910 6.315 ( -0.786 -5.086 -1.546) 5.374 6.413 ( 3.536 1.455 -0.033) 3.824 6.502 ( -1.904 -2.370 -0.413) 3.068 6.546 ( -0.079 -2.362 0.311) 2.384 6.647 ( -3.078 -1.235 1.891) 3.818 6.772 ( -7.238 -1.345 -2.504) 7.776 7.438 ( -0.468 -1.399 0.088) 1.478 8.144 ( -0.513 -0.676 0.127) 0.858 8.197 ( -0.656 0.329 -0.183) 0.756 8.221 ( 0.186 -1.874 0.067) 1.885 ======================= Grid point 151 (68/77) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -3.362 11.230 2.632) 12.014 1.580 ( -5.760 11.049 -3.386) 12.912 1.663 ( -4.256 7.472 0.085) 8.599 1.718 ( -5.401 8.326 -2.199) 10.165 1.846 ( -5.000 7.925 1.226) 9.450 1.952 ( 0.877 10.030 -1.496) 10.179 2.073 ( -0.251 6.835 4.280) 8.068 2.115 ( -4.154 5.781 -0.011) 7.119 2.166 ( -5.487 7.619 2.845) 9.811 2.348 ( 0.038 3.709 2.425) 4.431 2.416 ( 0.557 5.054 3.099) 5.954 2.466 ( -2.613 1.274 -6.277) 6.918 2.594 ( 0.377 -2.187 1.905) 2.925 2.617 ( 4.773 -1.667 -5.498) 7.469 2.696 ( -3.795 -1.246 4.810) 6.253 2.809 ( 0.877 4.551 -1.506) 4.873 2.987 ( 2.145 3.210 -0.723) 3.928 3.032 ( 3.056 6.062 -2.893) 7.380 3.112 ( 4.269 -1.620 -0.701) 4.619 3.182 ( 4.955 0.325 0.097) 4.967 3.208 ( 0.723 2.267 1.308) 2.715 3.282 ( -1.873 3.599 -2.210) 4.620 3.340 ( 3.959 3.398 0.263) 5.224 3.418 ( 5.159 10.151 1.008) 11.431 3.600 ( 13.148 18.486 -4.086) 23.050 3.794 ( 11.620 19.926 6.171) 23.878 3.871 ( -5.354 8.604 1.253) 10.210 3.886 ( 0.339 15.118 2.791) 15.377 4.036 ( -0.460 3.258 -0.086) 3.291 4.135 ( -1.160 -3.166 -1.587) 3.726 4.183 ( -8.267 12.984 -0.996) 15.425 4.367 ( -3.634 -5.631 -2.269) 7.075 4.560 ( -1.632 -4.305 -0.142) 4.606 4.690 ( -1.594 1.451 0.402) 2.193 4.867 ( -1.855 -0.648 -0.454) 2.017 5.004 ( -1.966 -0.976 1.318) 2.560 5.076 ( 1.178 1.695 -0.178) 2.072 5.130 ( 1.661 -2.500 -0.303) 3.017 5.190 ( 0.825 0.147 -0.569) 1.013 5.625 ( 0.965 -2.464 -0.577) 2.709 5.900 ( 1.897 -5.881 -0.439) 6.194 5.910 ( 1.922 -4.384 1.866) 5.138 5.936 ( -0.136 -5.228 0.319) 5.239 6.002 ( -1.257 -5.101 -2.043) 5.636 6.029 ( 1.823 -3.589 1.105) 4.174 6.062 ( -0.108 -0.981 -0.295) 1.030 6.159 ( 1.445 -2.383 2.257) 3.586 6.189 ( -0.924 -2.748 -2.551) 3.862 6.219 ( 2.046 -0.608 1.684) 2.719 6.269 ( -1.245 -0.448 1.003) 1.660 6.293 ( -0.819 -4.588 -1.767) 4.984 6.460 ( -0.002 -0.706 0.232) 0.743 6.495 ( 1.329 -0.622 -0.085) 1.470 6.556 ( 1.544 -1.724 0.163) 2.320 6.633 ( 0.056 0.468 1.054) 1.154 6.642 ( -3.938 0.221 -1.690) 4.291 7.429 ( -0.305 -1.198 0.047) 1.237 8.135 ( -0.246 -0.596 0.040) 0.646 8.190 ( -0.118 1.171 -0.032) 1.177 8.223 ( 0.047 -2.424 -0.002) 2.424 ======================= Grid point 154 (69/77) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 67 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -0.003 1.311 -0.001) 1.311 1.925 ( 0.001 -6.225 -0.002) 6.225 2.045 ( -0.015 -5.841 -0.005) 5.841 2.057 ( 0.017 1.258 0.007) 1.259 2.122 ( -0.000 4.994 -0.000) 4.994 2.193 ( 0.001 3.200 0.002) 3.200 2.259 ( -0.001 -2.359 0.001) 2.359 2.320 ( 0.001 0.376 0.001) 0.376 2.435 ( 0.001 10.951 -0.000) 10.951 2.507 ( -0.001 17.279 -0.000) 17.279 2.577 ( 0.000 0.956 0.001) 0.956 2.613 ( -0.001 -1.891 -0.000) 1.891 2.633 ( 0.001 -8.372 0.000) 8.372 2.691 ( 0.024 0.480 0.118) 0.495 2.692 ( -0.022 -4.368 -0.116) 4.370 2.749 ( -0.002 -2.068 0.004) 2.068 2.785 ( 0.002 -1.935 -0.000) 1.935 2.828 ( -0.002 8.347 -0.002) 8.347 2.938 ( 0.001 0.630 0.007) 0.630 2.951 ( -0.000 -0.265 -0.007) 0.265 3.106 ( -0.001 5.549 -0.000) 5.549 3.247 ( -0.000 3.380 0.000) 3.380 3.301 ( 0.000 3.861 0.001) 3.861 3.408 ( 0.000 2.445 0.000) 2.445 3.735 ( -0.002 26.216 -0.010) 26.216 3.759 ( 0.002 27.131 0.012) 27.131 4.033 ( -0.006 3.418 0.001) 3.418 4.046 ( 0.005 5.889 -0.001) 5.889 4.105 ( -0.000 3.061 0.000) 3.061 4.242 ( 0.000 -0.458 0.000) 0.458 4.382 ( 0.001 4.322 0.000) 4.322 4.473 ( -0.001 -0.335 -0.000) 0.335 4.832 ( 0.000 3.583 0.000) 3.583 4.917 ( -0.001 7.845 0.000) 7.845 5.022 ( -0.001 5.025 0.001) 5.025 5.067 ( -0.001 3.611 0.000) 3.611 5.078 ( 0.003 7.022 0.001) 7.022 5.204 ( 0.000 9.618 0.000) 9.618 5.231 ( -0.000 2.328 0.002) 2.328 5.543 ( -0.000 2.940 0.001) 2.940 5.693 ( 0.000 -4.947 0.000) 4.947 5.759 ( 0.001 -6.152 0.000) 6.152 5.848 ( 0.000 -5.179 0.000) 5.179 5.882 ( 0.000 -2.267 0.000) 2.267 5.960 ( 0.007 -5.551 0.020) 5.551 5.970 ( -0.008 -4.929 -0.019) 4.929 6.078 ( 0.001 -0.614 0.001) 0.614 6.096 ( -0.001 -3.311 -0.000) 3.311 6.202 ( 0.000 0.297 -0.000) 0.297 6.218 ( 0.000 -4.560 0.002) 4.560 6.273 ( 0.000 -3.039 -0.001) 3.039 6.370 ( -0.000 -1.111 0.000) 1.111 6.443 ( 0.000 -4.351 0.001) 4.351 6.501 ( 0.001 -3.235 0.002) 3.235 6.631 ( -0.000 -3.794 0.001) 3.794 6.756 ( 0.000 -7.327 0.000) 7.327 7.414 ( 0.000 -1.253 0.000) 1.253 8.132 ( -0.000 -0.843 0.000) 0.843 8.177 ( 0.000 -1.379 0.000) 1.379 8.223 ( -0.000 0.366 0.000) 0.366 ======================= Grid point 156 (70/77) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -2.655 2.087 -3.665) 4.984 1.817 ( -6.548 -2.385 2.605) 7.440 1.944 ( -2.578 2.990 -3.534) 5.299 2.060 ( -9.162 9.375 3.931) 13.685 2.101 ( -3.052 3.334 -0.845) 4.598 2.206 ( 0.529 7.206 4.167) 8.341 2.263 ( 2.128 -2.261 1.923) 3.653 2.326 ( 1.468 -2.662 7.048) 7.675 2.341 ( -6.635 12.136 2.221) 14.009 2.449 ( -3.605 7.655 -6.226) 10.505 2.536 ( -2.583 4.588 0.336) 5.276 2.555 ( -4.314 1.611 -3.697) 5.906 2.590 ( -4.196 3.767 -2.065) 6.005 2.639 ( -1.336 5.958 0.789) 6.157 2.741 ( 4.231 -4.189 -4.127) 7.244 2.803 ( -0.541 2.742 -0.895) 2.934 2.858 ( 2.670 -1.926 -1.127) 3.480 2.919 ( 5.334 -2.940 -4.304) 7.458 2.988 ( 8.309 -5.563 7.864) 12.721 3.041 ( 6.922 -6.656 -1.450) 9.711 3.084 ( 2.393 2.121 0.128) 3.200 3.232 ( 0.365 2.457 0.157) 2.489 3.338 ( -0.636 -1.113 1.277) 1.810 3.452 ( 3.712 2.974 0.900) 4.841 3.784 ( 5.874 19.544 -6.536) 21.429 3.859 ( 1.477 7.413 3.421) 8.297 3.977 ( -0.472 7.262 2.191) 7.600 4.030 ( -2.957 0.023 3.170) 4.335 4.177 ( 6.067 11.485 0.583) 13.002 4.245 ( -2.827 0.461 0.084) 2.866 4.274 ( -2.071 5.511 -3.038) 6.625 4.554 ( 3.608 6.669 -0.335) 7.590 4.762 ( -5.137 7.330 -0.170) 8.952 4.896 ( -2.264 10.742 -0.957) 11.020 5.013 ( -3.273 6.026 0.318) 6.865 5.035 ( 0.654 3.427 0.754) 3.569 5.115 ( 1.196 4.393 0.530) 4.584 5.199 ( -0.627 8.791 -0.027) 8.814 5.210 ( -0.271 3.958 -1.572) 4.267 5.579 ( 2.621 2.080 -0.642) 3.407 5.711 ( 1.740 -5.518 0.496) 5.807 5.776 ( 1.397 -5.807 0.672) 6.011 5.834 ( -1.174 -5.490 0.433) 5.631 5.894 ( 0.665 -4.002 -1.546) 4.342 5.941 ( -0.495 -4.672 -0.969) 4.797 6.004 ( 1.690 -4.291 3.025) 5.515 6.077 ( 0.426 -1.942 0.079) 1.990 6.122 ( 1.665 -2.619 0.475) 3.139 6.189 ( -0.695 -0.771 -0.952) 1.408 6.214 ( -0.439 -4.179 -0.472) 4.229 6.260 ( -1.044 -3.019 0.527) 3.237 6.411 ( 2.746 -1.807 0.191) 3.293 6.439 ( 0.147 -2.969 0.245) 2.983 6.492 ( -0.554 -3.349 -0.200) 3.400 6.610 ( -0.870 -2.312 1.534) 2.908 6.703 ( -3.926 -5.294 -2.278) 6.973 7.413 ( -0.156 -1.064 0.037) 1.076 8.130 ( -0.225 -0.643 0.174) 0.703 8.176 ( 0.051 -1.363 -0.022) 1.364 8.219 ( -0.199 0.647 -0.115) 0.687 ======================= Grid point 157 (71/77) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -1.240 5.460 1.338) 5.757 1.754 ( -0.632 8.339 -2.399) 8.701 1.859 ( -5.811 9.406 -0.679) 11.077 1.929 ( 0.278 11.224 -1.824) 11.374 2.095 ( 1.188 4.760 1.622) 5.167 2.115 ( -6.530 15.408 5.098) 17.494 2.214 ( -4.683 8.111 4.184) 10.257 2.266 ( -0.732 7.550 -0.876) 7.636 2.357 ( 1.570 5.176 -6.131) 8.176 2.429 ( -3.916 7.601 2.802) 8.998 2.490 ( -0.710 3.115 -3.332) 4.616 2.504 ( 1.605 -1.242 2.490) 3.213 2.535 ( 0.123 -1.502 0.024) 1.507 2.616 ( 0.128 4.324 -1.772) 4.675 2.671 ( -5.210 -1.157 4.087) 6.722 2.839 ( 1.043 -0.926 -3.970) 4.207 2.963 ( 5.856 -4.365 -2.789) 7.818 3.047 ( 3.054 -3.125 -0.430) 4.391 3.058 ( 3.780 -4.502 -3.452) 6.817 3.180 ( 3.128 -4.307 5.338) 7.539 3.218 ( 2.408 1.405 1.277) 3.067 3.250 ( -0.569 -5.573 -1.254) 5.740 3.315 ( 2.530 -3.305 -0.065) 4.162 3.519 ( 2.021 -0.839 1.116) 2.457 3.793 ( -3.601 -10.209 1.186) 10.890 3.833 ( -1.750 -7.160 -0.013) 7.371 3.979 ( -4.496 -12.198 0.996) 13.038 4.001 ( 3.642 2.917 -2.545) 5.315 4.206 ( 1.945 17.112 -0.147) 17.222 4.225 ( -0.910 14.346 0.305) 14.378 4.426 ( 11.549 22.204 2.239) 25.128 4.575 ( -1.424 10.365 -0.086) 10.463 4.645 ( -6.521 15.184 -2.056) 16.653 4.841 ( -1.348 12.068 -0.798) 12.169 4.940 ( -2.869 6.789 0.262) 7.374 5.038 ( -0.789 4.405 1.152) 4.621 5.132 ( 1.047 3.226 -0.049) 3.392 5.185 ( -0.459 7.950 -0.581) 7.984 5.228 ( 0.957 3.600 -0.407) 3.748 5.618 ( 0.970 1.612 -0.593) 1.973 5.765 ( 2.731 -6.143 0.730) 6.762 5.804 ( 0.434 -5.853 0.087) 5.869 5.810 ( -1.015 -5.713 0.901) 5.872 5.891 ( -0.059 -5.457 -1.854) 5.763 5.938 ( -0.145 -5.030 0.203) 5.036 6.031 ( 0.451 -2.639 0.904) 2.826 6.106 ( 1.426 -2.529 2.549) 3.864 6.127 ( -0.541 -3.143 -2.410) 3.997 6.194 ( -0.650 -3.999 0.138) 4.054 6.207 ( 1.538 -2.024 0.747) 2.650 6.242 ( -0.806 -2.284 -0.532) 2.480 6.432 ( 0.124 -1.844 0.481) 1.910 6.452 ( -0.207 -3.210 -0.146) 3.220 6.516 ( 2.822 -2.710 0.356) 3.929 6.612 ( -1.325 -2.446 -2.005) 3.429 6.624 ( -1.225 -2.685 0.882) 3.080 7.409 ( -0.121 -0.728 0.011) 0.738 8.126 ( -0.162 -0.357 0.087) 0.401 8.180 ( 0.204 -1.503 -0.002) 1.517 8.216 ( -0.050 1.123 -0.064) 1.126 ======================= Grid point 160 (72/77) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.091 -5.568 -0.004) 5.568 1.792 ( -0.094 -4.077 0.003) 4.078 1.945 ( 0.009 -2.201 -0.012) 2.201 1.960 ( -0.003 -6.384 0.013) 6.384 2.117 ( 0.000 -5.112 0.000) 5.112 2.230 ( 0.002 3.048 0.001) 3.048 2.278 ( -0.000 3.675 0.001) 3.675 2.386 ( -0.000 -1.267 0.000) 1.267 2.457 ( 0.002 1.242 -0.002) 1.242 2.476 ( -0.001 -4.874 0.002) 4.874 2.507 ( 0.000 -5.093 0.003) 5.093 2.578 ( 0.000 -2.625 0.001) 2.625 2.641 ( -0.002 -4.331 0.002) 4.331 2.697 ( 0.001 -0.074 -0.001) 0.074 2.770 ( -0.003 6.583 0.000) 6.583 2.788 ( 0.003 2.667 0.001) 2.667 2.881 ( -0.000 2.275 0.000) 2.275 2.938 ( -0.002 11.924 0.002) 11.924 2.987 ( 0.001 4.514 0.003) 4.514 3.050 ( 0.001 6.982 -0.004) 6.982 3.222 ( -0.001 3.542 -0.000) 3.542 3.302 ( -0.003 3.968 -0.002) 3.968 3.305 ( 0.003 -1.585 0.004) 1.585 3.387 ( 0.000 -3.480 0.000) 3.480 3.961 ( 0.001 -5.996 0.000) 5.996 4.045 ( -0.005 -2.630 -0.001) 2.630 4.111 ( 0.003 3.895 0.001) 3.895 4.127 ( -0.002 -1.491 0.000) 1.491 4.258 ( -0.003 14.098 -0.002) 14.098 4.363 ( 0.004 17.592 0.003) 17.592 4.516 ( 0.015 5.859 0.005) 5.859 4.540 ( -0.014 7.481 -0.004) 7.481 4.905 ( 0.000 3.736 0.000) 3.736 5.085 ( 0.000 8.068 0.004) 8.068 5.138 ( 0.000 3.969 0.002) 3.969 5.190 ( 0.001 8.789 0.008) 8.789 5.206 ( -0.001 -2.232 -0.006) 2.232 5.275 ( -0.002 7.380 0.001) 7.380 5.424 ( -0.000 10.620 -0.000) 10.620 5.547 ( -0.001 -5.986 0.001) 5.986 5.605 ( 0.001 -3.829 -0.000) 3.829 5.706 ( 0.001 1.753 0.001) 1.753 5.772 ( -0.000 -0.894 0.000) 0.894 5.828 ( 0.005 -7.088 0.004) 7.088 5.854 ( -0.003 -5.472 0.010) 5.472 5.867 ( -0.003 1.261 -0.014) 1.262 6.046 ( 0.000 -1.085 -0.000) 1.085 6.061 ( -0.000 -0.668 0.000) 0.668 6.132 ( 0.000 -3.265 0.002) 3.265 6.178 ( 0.000 -5.724 -0.000) 5.724 6.210 ( 0.000 -0.008 -0.000) 0.008 6.323 ( 0.000 -3.794 -0.000) 3.794 6.369 ( 0.001 -2.094 0.001) 2.094 6.423 ( 0.001 -3.803 0.003) 3.803 6.571 ( -0.001 -1.907 0.003) 1.907 6.595 ( 0.001 -7.409 -0.001) 7.409 7.393 ( 0.000 -0.715 0.000) 0.715 8.117 ( -0.000 -0.560 0.000) 0.560 8.156 ( -0.000 -0.690 0.000) 0.690 8.228 ( -0.000 0.181 0.000) 0.181 ======================= Grid point 162 (73/77) ======================= q-point: ( 0.20 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.378 -1.427 2.310) 2.742 1.827 ( 2.997 1.896 -1.077) 3.706 1.983 ( 2.660 1.201 0.675) 2.995 2.075 ( 3.678 -4.683 -1.588) 6.163 2.131 ( 6.276 -5.791 -2.866) 9.007 2.230 ( -1.541 6.313 3.084) 7.193 2.265 ( 1.797 2.238 1.656) 3.313 2.416 ( -1.507 4.321 0.831) 4.651 2.431 ( 1.735 -1.603 -9.082) 9.384 2.515 ( 0.345 0.726 3.485) 3.576 2.550 ( 0.612 -2.504 -1.255) 2.867 2.567 ( 3.367 -5.616 -0.866) 6.605 2.637 ( -5.162 7.336 -0.503) 8.984 2.740 ( 3.487 -0.622 -6.171) 7.115 2.748 ( 4.680 -4.125 11.319) 12.924 2.824 ( -1.070 5.801 0.103) 5.900 2.868 ( -0.228 -3.736 0.773) 3.822 2.894 ( -0.935 -0.274 2.348) 2.542 2.952 ( -2.421 8.471 -2.633) 9.195 3.036 ( -4.089 8.626 0.125) 9.547 3.149 ( -5.125 4.789 -0.210) 7.017 3.239 ( -2.021 -1.898 -0.683) 2.856 3.301 ( -0.552 -1.622 1.336) 2.173 3.425 ( 0.489 -3.792 1.230) 4.016 3.806 ( -10.885 -7.460 0.045) 13.196 3.831 ( -13.327 -5.229 -0.053) 14.316 3.979 ( -11.488 -7.552 -1.139) 13.795 4.070 ( -7.189 -1.183 -1.750) 7.493 4.357 ( 10.537 14.645 -2.053) 18.158 4.473 ( 3.524 11.704 0.202) 12.224 4.595 ( 12.099 16.579 1.965) 20.618 4.713 ( 7.752 7.930 0.676) 11.109 4.907 ( 0.355 5.856 -0.697) 5.908 5.093 ( 0.367 8.448 -0.083) 8.456 5.124 ( -0.758 4.284 0.642) 4.398 5.205 ( -0.487 8.858 1.500) 8.998 5.209 ( 1.270 3.596 0.076) 3.815 5.293 ( 1.818 4.783 -0.969) 5.207 5.411 ( -1.114 11.092 -1.571) 11.258 5.571 ( 1.768 -5.738 -0.011) 6.005 5.610 ( 0.763 -5.109 0.916) 5.246 5.715 ( 0.499 -0.373 1.009) 1.186 5.755 ( -0.863 0.407 -0.211) 0.977 5.808 ( -1.506 -6.412 -2.517) 7.051 5.867 ( 0.785 0.004 -1.197) 1.431 5.897 ( 2.151 -4.937 3.149) 6.238 6.044 ( -0.003 -0.906 0.666) 1.125 6.072 ( 0.753 -2.133 -1.234) 2.577 6.120 ( -1.197 -3.834 1.102) 4.165 6.161 ( -1.137 -3.813 1.567) 4.276 6.202 ( -0.206 -1.149 -2.586) 2.838 6.341 ( 1.287 -4.353 0.954) 4.639 6.392 ( 1.847 -1.683 0.311) 2.519 6.417 ( -0.395 -3.373 -0.201) 3.402 6.560 ( -0.950 -2.980 1.904) 3.662 6.572 ( -1.590 -5.728 -2.714) 6.535 7.395 ( 0.152 -0.586 -0.006) 0.606 8.118 ( 0.027 -0.502 0.083) 0.509 8.156 ( 0.099 -0.578 -0.041) 0.588 8.230 ( 0.199 0.374 -0.013) 0.423 ======================= Grid point 163 (74/77) ======================= q-point: ( 0.40 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 2.243 3.431 1.842) 4.493 1.914 ( 4.088 6.505 2.312) 8.023 2.007 ( 0.078 4.706 -7.538) 8.887 2.134 ( 3.365 8.090 -0.862) 8.804 2.200 ( -0.680 7.398 2.204) 7.749 2.303 ( 5.714 -4.299 1.910) 7.402 2.329 ( 1.067 0.461 -1.716) 2.073 2.374 ( 0.008 2.670 1.838) 3.241 2.456 ( -4.590 7.297 3.432) 9.278 2.459 ( 1.511 3.790 -5.893) 7.167 2.523 ( 0.883 2.840 3.380) 4.502 2.582 ( 0.268 1.863 6.836) 7.091 2.647 ( -2.307 6.364 0.820) 6.819 2.693 ( -6.144 6.784 -4.532) 10.213 2.757 ( -4.205 8.457 -3.637) 10.120 2.822 ( 0.618 0.139 -7.437) 7.463 2.866 ( 4.681 -3.906 0.856) 6.156 2.933 ( 2.335 -2.917 0.160) 3.740 2.985 ( 0.759 -4.278 -2.178) 4.860 3.035 ( 5.929 -8.252 7.388) 12.563 3.093 ( -1.426 -7.443 0.699) 7.610 3.198 ( 2.298 -1.228 2.196) 3.407 3.311 ( -0.310 1.264 -1.175) 1.753 3.392 ( -1.978 -10.626 1.810) 10.959 3.551 ( -11.710 -15.774 0.094) 19.646 3.568 ( -10.300 -10.944 -1.061) 15.066 3.750 ( -6.470 -7.578 -1.108) 10.026 3.967 ( -2.123 -4.089 -1.030) 4.721 4.534 ( 3.419 12.375 -0.294) 12.842 4.559 ( 5.207 14.137 -0.367) 15.070 4.784 ( 2.068 9.400 0.692) 9.649 4.855 ( 7.011 15.549 1.543) 17.126 4.918 ( 0.684 9.931 -1.247) 10.032 5.085 ( -0.321 9.193 0.149) 9.200 5.121 ( -1.056 9.806 -0.489) 9.875 5.166 ( -1.711 6.821 0.368) 7.042 5.256 ( 1.863 9.025 1.656) 9.363 5.330 ( 1.632 5.448 -0.217) 5.692 5.372 ( -2.052 9.375 -2.048) 9.813 5.596 ( 0.700 -5.368 -0.720) 5.461 5.650 ( 1.935 -6.689 1.818) 7.197 5.709 ( -0.668 -3.926 0.885) 4.080 5.752 ( -0.966 -0.628 -1.278) 1.721 5.783 ( 0.809 -2.416 -0.504) 2.598 5.861 ( -0.889 -0.759 -0.582) 1.305 5.951 ( 1.783 -4.288 1.500) 4.880 6.053 ( 0.914 -2.720 -0.496) 2.912 6.071 ( -0.324 -2.441 -1.394) 2.829 6.088 ( -1.940 -5.325 1.374) 5.832 6.167 ( 0.929 -1.928 2.770) 3.501 6.194 ( -0.162 -1.842 -2.691) 3.265 6.366 ( 0.604 -3.786 0.851) 3.928 6.405 ( -0.316 -1.813 -0.138) 1.846 6.444 ( 2.567 -3.666 0.179) 4.479 6.515 ( -2.675 -5.912 -1.169) 6.593 6.561 ( 0.175 -3.009 0.257) 3.025 7.398 ( 0.078 -0.356 -0.011) 0.365 8.118 ( -0.005 -0.348 0.048) 0.351 8.160 ( 0.156 -0.514 -0.029) 0.538 8.235 ( 0.189 0.641 -0.001) 0.668 ======================= Grid point 166 (75/77) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.078 0.005 -0.022) 0.081 1.734 ( -0.074 0.004 0.024) 0.079 1.885 ( 0.002 0.006 -0.008) 0.011 1.920 ( 0.003 0.005 0.009) 0.011 2.075 ( -0.003 -0.001 -0.000) 0.003 2.251 ( 0.001 0.002 0.004) 0.005 2.330 ( 0.001 0.004 -0.001) 0.004 2.345 ( -0.001 0.002 0.001) 0.003 2.430 ( 0.001 0.003 -0.002) 0.004 2.435 ( -0.000 -0.000 0.002) 0.002 2.504 ( 0.000 0.004 -0.000) 0.004 2.548 ( -0.000 -0.000 0.000) 0.000 2.586 ( -0.001 0.002 0.003) 0.004 2.704 ( -0.000 0.001 0.003) 0.003 2.772 ( -0.001 -0.000 0.004) 0.004 2.834 ( 0.002 0.001 -0.001) 0.003 2.924 ( -0.000 0.001 0.001) 0.001 3.056 ( -0.001 0.001 -0.000) 0.001 3.078 ( 0.001 -0.000 -0.000) 0.001 3.174 ( -0.001 -0.001 0.001) 0.002 3.213 ( -0.001 0.002 -0.001) 0.003 3.292 ( 0.002 -0.005 0.001) 0.006 3.330 ( -0.002 0.006 0.000) 0.006 3.373 ( 0.000 0.001 0.000) 0.001 3.876 ( 0.004 0.003 0.001) 0.005 4.028 ( -0.006 -0.014 0.000) 0.015 4.037 ( -0.005 0.017 -0.001) 0.018 4.127 ( -0.002 0.002 0.002) 0.003 4.474 ( 0.024 0.024 0.011) 0.035 4.548 ( -0.016 0.010 -0.006) 0.020 4.556 ( 0.006 -0.009 0.005) 0.012 4.675 ( -0.005 0.007 -0.000) 0.009 5.002 ( 0.000 0.031 0.006) 0.032 5.081 ( 0.001 -0.026 0.015) 0.030 5.161 ( -0.002 0.002 -0.012) 0.012 5.218 ( -0.001 0.003 -0.000) 0.003 5.344 ( 0.001 0.011 -0.000) 0.011 5.405 ( -0.001 -0.005 0.013) 0.014 5.414 ( 0.000 0.004 -0.012) 0.013 5.500 ( 0.001 -0.002 0.001) 0.002 5.642 ( 0.001 0.016 -0.001) 0.016 5.673 ( 0.001 -0.009 0.001) 0.010 5.708 ( -0.000 0.002 0.001) 0.002 5.749 ( -0.002 0.001 -0.000) 0.003 5.838 ( -0.001 0.001 0.000) 0.001 5.905 ( 0.002 0.003 0.001) 0.004 6.061 ( 0.001 0.005 0.003) 0.006 6.065 ( 0.001 0.001 0.000) 0.002 6.082 ( -0.000 -0.003 0.001) 0.003 6.083 ( -0.000 0.002 -0.001) 0.003 6.208 ( -0.000 0.002 -0.001) 0.002 6.265 ( 0.003 0.002 -0.001) 0.004 6.351 ( 0.002 0.002 0.001) 0.003 6.374 ( -0.000 -0.001 0.002) 0.002 6.507 ( 0.000 0.001 0.003) 0.003 6.552 ( -0.000 0.002 0.002) 0.003 7.386 ( 0.000 0.001 0.000) 0.001 8.111 ( 0.000 0.000 0.000) 0.000 8.149 ( -0.000 0.000 0.000) 0.001 8.230 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 170 (76/77) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.005 -0.000 1.285) 4.206 1.868 ( 8.324 0.010 2.448) 8.677 1.952 ( 5.914 0.001 0.427) 5.929 2.029 ( 9.027 0.005 2.975) 9.505 2.069 ( 1.905 0.001 -10.161) 10.338 2.289 ( 1.585 0.003 0.022) 1.585 2.329 ( 2.419 0.002 -2.670) 3.603 2.419 ( 5.097 0.002 -6.033) 7.898 2.429 ( -0.962 0.010 4.237) 4.345 2.471 ( -2.834 -0.006 0.097) 2.836 2.497 ( 6.425 0.002 1.215) 6.539 2.573 ( 3.164 0.004 3.220) 4.515 2.658 ( 5.835 -0.001 3.822) 6.975 2.733 ( 2.893 0.003 0.917) 3.035 2.752 ( -1.854 -0.002 -0.417) 1.901 2.811 ( -0.415 0.052 -3.866) 3.889 2.812 ( -8.209 -0.049 -1.281) 8.308 2.973 ( -7.849 0.000 5.130) 9.377 3.099 ( 1.083 -0.000 0.947) 1.438 3.110 ( -6.507 0.001 -2.146) 6.852 3.225 ( 2.705 0.000 -0.083) 2.706 3.243 ( -7.350 0.004 2.340) 7.713 3.308 ( -1.042 -0.000 0.164) 1.055 3.329 ( -5.834 0.002 0.646) 5.869 3.691 ( -14.879 0.001 0.668) 14.894 3.777 ( -16.576 -0.001 -1.850) 16.679 3.867 ( -12.329 0.007 -2.112) 12.508 4.041 ( -8.398 0.001 -0.459) 8.410 4.556 ( 9.140 0.008 -2.086) 9.375 4.581 ( 4.461 0.000 -0.554) 4.495 4.740 ( 9.550 0.008 1.761) 9.711 4.851 ( 10.010 0.007 0.536) 10.024 5.023 ( 2.150 0.025 -0.066) 2.151 5.110 ( 3.088 -0.006 -4.553) 5.502 5.189 ( 2.117 0.002 5.707) 6.087 5.219 ( 0.266 -0.004 -0.183) 0.323 5.378 ( 2.448 0.023 3.938) 4.637 5.413 ( 0.319 0.001 -3.237) 3.252 5.432 ( 2.005 -0.014 2.196) 2.974 5.507 ( 0.352 0.000 -0.415) 0.545 5.622 ( -1.181 0.013 -3.216) 3.426 5.646 ( -2.195 -0.008 -0.427) 2.236 5.693 ( -1.326 0.001 0.066) 1.327 5.772 ( 1.671 0.004 0.919) 1.907 5.863 ( 2.151 -0.004 -0.089) 2.153 5.902 ( -0.181 0.005 -0.262) 0.319 6.038 ( -2.159 -0.001 -0.176) 2.166 6.047 ( -0.915 0.002 -0.802) 1.217 6.071 ( -1.252 0.001 0.358) 1.302 6.105 ( 1.698 -0.001 3.061) 3.500 6.193 ( -0.789 0.004 -2.918) 3.023 6.281 ( 1.318 -0.000 1.147) 1.747 6.374 ( 1.639 0.089 0.455) 1.704 6.374 ( -0.066 -0.086 -0.535) 0.546 6.486 ( -1.829 0.002 0.079) 1.831 6.541 ( -0.851 0.001 -0.317) 0.908 7.389 ( 0.273 0.001 -0.030) 0.275 8.112 ( 0.090 -0.000 0.002) 0.090 8.150 ( 0.184 0.001 0.004) 0.184 8.234 ( 0.351 0.000 0.016) 0.352 ======================= Grid point 172 (77/77) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 3.559 0.000 1.266) 3.778 1.979 ( 1.089 0.008 0.186) 1.105 2.098 ( 6.258 0.008 1.590) 6.457 2.178 ( 8.179 -0.005 -3.890) 9.057 2.247 ( 8.741 0.002 4.294) 9.739 2.295 ( 0.178 0.005 -2.372) 2.379 2.373 ( -2.277 0.001 -7.487) 7.825 2.386 ( -2.122 0.021 3.955) 4.489 2.404 ( -1.141 -0.020 -0.917) 1.464 2.518 ( 5.203 0.004 -10.684) 11.883 2.591 ( -7.777 0.011 2.103) 8.056 2.662 ( 5.676 0.008 7.385) 9.314 2.716 ( -1.055 -0.001 -1.220) 1.613 2.773 ( 10.780 0.020 0.698) 10.803 2.798 ( 0.626 -0.016 10.315) 10.334 2.848 ( 4.019 -0.015 -6.171) 7.365 2.850 ( 8.314 0.019 -0.299) 8.319 2.868 ( 4.100 -0.004 6.364) 7.570 2.945 ( -6.104 0.000 -3.109) 6.850 3.077 ( -6.849 0.039 2.900) 7.438 3.081 ( -5.770 -0.026 -0.032) 5.770 3.115 ( -12.383 -0.010 -4.266) 13.097 3.211 ( -7.521 -0.003 0.325) 7.528 3.274 ( 1.813 0.005 4.669) 5.009 3.355 ( -12.109 0.003 -0.671) 12.128 3.438 ( -12.649 -0.002 -3.823) 13.215 3.671 ( -4.290 0.001 -1.039) 4.414 3.916 ( -2.675 0.001 -0.643) 2.751 4.667 ( 2.479 0.009 -0.117) 2.481 4.713 ( 4.495 0.001 -0.282) 4.504 4.876 ( 3.095 0.003 0.275) 3.107 5.005 ( 4.079 0.003 -0.132) 4.081 5.077 ( 1.772 0.013 0.445) 1.827 5.162 ( 1.720 0.003 -2.372) 2.929 5.234 ( 0.996 0.027 0.096) 1.001 5.268 ( 3.235 -0.008 4.105) 5.226 5.402 ( -0.692 -0.001 -2.532) 2.625 5.437 ( 1.842 0.026 4.698) 5.046 5.488 ( -1.750 -0.072 -3.441) 3.861 5.496 ( 3.328 0.059 1.366) 3.598 5.585 ( -3.254 0.039 -0.674) 3.323 5.608 ( 0.521 -0.040 -2.047) 2.113 5.664 ( -1.174 -0.001 0.593) 1.316 5.805 ( 0.879 0.005 0.931) 1.281 5.901 ( 0.292 0.016 -0.750) 0.805 5.918 ( 2.894 -0.012 -0.042) 2.895 5.982 ( -2.876 -0.008 -0.198) 2.882 6.024 ( -1.176 0.002 1.143) 1.640 6.048 ( -0.396 0.000 -1.254) 1.315 6.146 ( 0.479 0.002 3.489) 3.522 6.180 ( 0.687 0.002 -3.087) 3.163 6.317 ( 1.472 -0.001 1.163) 1.876 6.363 ( -0.753 0.003 -0.806) 1.103 6.407 ( 1.354 0.002 -0.172) 1.365 6.443 ( -1.945 0.004 0.244) 1.960 6.524 ( -0.497 0.000 -0.154) 0.520 7.394 ( 0.159 0.001 -0.022) 0.161 8.114 ( 0.054 -0.000 -0.001) 0.054 8.155 ( 0.170 0.001 0.005) 0.171 8.242 ( 0.270 0.000 0.011) 0.270 =================== 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 3/14400 10.0 941.329 1071.848 1046.997 0.000 199.112 0.000 3/14400 20.0 182.073 229.016 145.352 0.000 25.566 0.000 3/14400 30.0 73.807 96.673 56.043 0.000 9.357 0.000 3/14400 40.0 42.387 56.431 31.802 0.000 5.107 0.000 3/14400 50.0 28.686 38.530 21.419 0.000 3.364 0.000 3/14400 60.0 21.378 28.910 15.908 0.000 2.468 0.000 3/14400 70.0 16.958 23.066 12.582 0.000 1.940 0.000 3/14400 80.0 14.038 19.192 10.391 0.000 1.596 0.000 3/14400 90.0 11.982 16.450 8.851 0.000 1.357 0.000 3/14400 100.0 10.459 14.413 7.714 0.000 1.181 0.000 3/14400 110.0 9.289 12.839 6.841 0.000 1.046 0.000 3/14400 120.0 8.361 11.586 6.150 0.000 0.940 0.000 3/14400 130.0 7.607 10.564 5.590 0.000 0.854 0.000 3/14400 140.0 6.981 9.714 5.127 0.000 0.783 0.000 3/14400 150.0 6.454 8.994 4.736 0.000 0.724 0.000 3/14400 160.0 6.004 8.378 4.403 0.000 0.673 0.000 3/14400 170.0 5.614 7.843 4.115 0.000 0.629 0.000 3/14400 180.0 5.273 7.374 3.864 0.000 0.590 0.000 3/14400 190.0 4.972 6.959 3.642 0.000 0.556 0.000 3/14400 200.0 4.705 6.590 3.445 0.000 0.526 0.000 3/14400 210.0 4.466 6.259 3.269 0.000 0.499 0.000 3/14400 220.0 4.250 5.960 3.110 0.000 0.475 0.000 3/14400 230.0 4.055 5.690 2.967 0.000 0.453 0.000 3/14400 240.0 3.877 5.443 2.836 0.000 0.433 0.000 3/14400 250.0 3.715 5.217 2.717 0.000 0.415 0.000 3/14400 260.0 3.565 5.009 2.607 0.000 0.398 0.000 3/14400 270.0 3.428 4.818 2.507 0.000 0.383 0.000 3/14400 280.0 3.301 4.641 2.413 0.000 0.368 0.000 3/14400 290.0 3.183 4.476 2.327 0.000 0.355 0.000 3/14400 300.0 3.074 4.323 2.247 0.000 0.343 0.000 3/14400 310.0 2.971 4.181 2.172 0.000 0.332 0.000 3/14400 320.0 2.876 4.047 2.102 0.000 0.321 0.000 3/14400 330.0 2.786 3.922 2.036 0.000 0.311 0.000 3/14400 340.0 2.702 3.805 1.975 0.000 0.301 0.000 3/14400 350.0 2.623 3.694 1.917 0.000 0.293 0.000 3/14400 360.0 2.549 3.590 1.862 0.000 0.284 0.000 3/14400 370.0 2.479 3.491 1.811 0.000 0.276 0.000 3/14400 380.0 2.412 3.398 1.762 0.000 0.269 0.000 3/14400 390.0 2.349 3.310 1.716 0.000 0.262 0.000 3/14400 400.0 2.289 3.226 1.672 0.000 0.255 0.000 3/14400 410.0 2.233 3.146 1.631 0.000 0.249 0.000 3/14400 420.0 2.179 3.071 1.591 0.000 0.243 0.000 3/14400 430.0 2.127 2.998 1.554 0.000 0.237 0.000 3/14400 440.0 2.078 2.930 1.518 0.000 0.232 0.000 3/14400 450.0 2.031 2.864 1.484 0.000 0.226 0.000 3/14400 460.0 1.987 2.801 1.451 0.000 0.221 0.000 3/14400 470.0 1.944 2.741 1.420 0.000 0.217 0.000 3/14400 480.0 1.903 2.683 1.390 0.000 0.212 0.000 3/14400 490.0 1.864 2.628 1.361 0.000 0.208 0.000 3/14400 500.0 1.826 2.575 1.333 0.000 0.204 0.000 3/14400 510.0 1.790 2.524 1.307 0.000 0.200 0.000 3/14400 520.0 1.755 2.475 1.282 0.000 0.196 0.000 3/14400 530.0 1.722 2.428 1.257 0.000 0.192 0.000 3/14400 540.0 1.690 2.383 1.234 0.000 0.188 0.000 3/14400 550.0 1.659 2.340 1.211 0.000 0.185 0.000 3/14400 560.0 1.629 2.298 1.189 0.000 0.182 0.000 3/14400 570.0 1.600 2.257 1.168 0.000 0.178 0.000 3/14400 580.0 1.572 2.218 1.148 0.000 0.175 0.000 3/14400 590.0 1.545 2.180 1.128 0.000 0.172 0.000 3/14400 600.0 1.519 2.144 1.109 0.000 0.169 0.000 3/14400 610.0 1.494 2.108 1.091 0.000 0.167 0.000 3/14400 620.0 1.470 2.074 1.073 0.000 0.164 0.000 3/14400 630.0 1.447 2.041 1.056 0.000 0.161 0.000 3/14400 640.0 1.424 2.009 1.040 0.000 0.159 0.000 3/14400 650.0 1.402 1.978 1.023 0.000 0.156 0.000 3/14400 660.0 1.380 1.948 1.008 0.000 0.154 0.000 3/14400 670.0 1.360 1.919 0.993 0.000 0.152 0.000 3/14400 680.0 1.340 1.891 0.978 0.000 0.149 0.000 3/14400 690.0 1.320 1.863 0.964 0.000 0.147 0.000 3/14400 700.0 1.301 1.837 0.950 0.000 0.145 0.000 3/14400 710.0 1.283 1.811 0.936 0.000 0.143 0.000 3/14400 720.0 1.265 1.785 0.923 0.000 0.141 0.000 3/14400 730.0 1.247 1.761 0.911 0.000 0.139 0.000 3/14400 740.0 1.231 1.737 0.898 0.000 0.137 0.000 3/14400 750.0 1.214 1.714 0.886 0.000 0.135 0.000 3/14400 760.0 1.198 1.691 0.875 0.000 0.133 0.000 3/14400 770.0 1.182 1.669 0.863 0.000 0.132 0.000 3/14400 780.0 1.167 1.648 0.852 0.000 0.130 0.000 3/14400 790.0 1.152 1.627 0.841 0.000 0.128 0.000 3/14400 800.0 1.138 1.606 0.831 0.000 0.127 0.000 3/14400 810.0 1.124 1.587 0.820 0.000 0.125 0.000 3/14400 820.0 1.110 1.567 0.810 0.000 0.124 0.000 3/14400 830.0 1.097 1.548 0.801 0.000 0.122 0.000 3/14400 840.0 1.084 1.530 0.791 0.000 0.121 0.000 3/14400 850.0 1.071 1.512 0.782 0.000 0.119 0.000 3/14400 860.0 1.058 1.494 0.773 0.000 0.118 0.000 3/14400 870.0 1.046 1.477 0.764 0.000 0.117 0.000 3/14400 880.0 1.034 1.460 0.755 0.000 0.115 0.000 3/14400 890.0 1.023 1.444 0.746 0.000 0.114 0.000 3/14400 900.0 1.011 1.428 0.738 0.000 0.113 0.000 3/14400 910.0 1.000 1.412 0.730 0.000 0.111 0.000 3/14400 920.0 0.989 1.397 0.722 0.000 0.110 0.000 3/14400 930.0 0.978 1.382 0.714 0.000 0.109 0.000 3/14400 940.0 0.968 1.367 0.707 0.000 0.108 0.000 3/14400 950.0 0.958 1.352 0.699 0.000 0.107 0.000 3/14400 960.0 0.948 1.338 0.692 0.000 0.106 0.000 3/14400 970.0 0.938 1.325 0.685 0.000 0.105 0.000 3/14400 980.0 0.928 1.311 0.678 0.000 0.103 0.000 3/14400 990.0 0.919 1.298 0.671 0.000 0.102 0.000 3/14400 1000.0 0.910 1.285 0.664 0.000 0.101 0.000 3/14400 Thermal conductivity related properties were written into "kappa-m5124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:33:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|