----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:24:49]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.373952010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793020800000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.819329620000003 Atomic positions (fractional): *1 Sr 0.56895782570186 0.25000000000000 0.32245215277373 87.620 2 Sr 0.43104217429815 0.75000000000000 0.67754784722627 87.620 3 Sr 0.06895782570186 0.25000000000000 0.17754784722627 87.620 4 Sr 0.93104217429814 0.75000000000000 0.82245215277373 87.620 *5 Zr 0.16960352814931 0.75000000000000 0.44110342550731 91.224 6 Zr 0.66960352814931 0.75000000000000 0.05889657449269 91.224 7 Zr 0.33039647185069 0.25000000000000 0.94110342550731 91.224 8 Zr 0.83039647185069 0.25000000000000 0.55889657449269 91.224 *9 S 0.16181220035092 0.75000000000000 0.01078406536086 32.065 *10 S 0.70523776050834 0.25000000000000 0.71844733846759 32.065 *11 S 0.97653879343590 0.25000000000000 0.39182250980933 32.065 12 S 0.47653879343590 0.25000000000000 0.10817749019067 32.065 13 S 0.83818779964908 0.25000000000000 0.98921593463914 32.065 14 S 0.52346120656410 0.75000000000000 0.89182250980933 32.065 15 S 0.66181220035092 0.75000000000000 0.48921593463914 32.065 16 S 0.20523776050834 0.25000000000000 0.78155266153241 32.065 17 S 0.79476223949166 0.75000000000000 0.21844733846759 32.065 18 S 0.29476223949166 0.75000000000000 0.28155266153241 32.065 19 S 0.33818779964908 0.25000000000000 0.51078406536086 32.065 20 S 0.02346120656410 0.75000000000000 0.60817749019067 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.373952010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793020800000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.819329620000003 Atomic positions (fractional): *1 Sr 0.56895782570186 0.25000000000000 0.32245215277373 87.620 > 1 2 Sr 0.43104217429815 0.75000000000000 0.67754784722627 87.620 > 2 3 Sr 0.06895782570186 0.25000000000000 0.17754784722627 87.620 > 3 4 Sr 0.93104217429814 0.75000000000000 0.82245215277373 87.620 > 4 *5 Zr 0.16960352814931 0.75000000000000 0.44110342550731 91.224 > 5 6 Zr 0.66960352814931 0.75000000000000 0.05889657449269 91.224 > 6 7 Zr 0.33039647185069 0.25000000000000 0.94110342550731 91.224 > 7 8 Zr 0.83039647185069 0.25000000000000 0.55889657449269 91.224 > 8 *9 S 0.16181220035092 0.75000000000000 0.01078406536086 32.065 > 9 *10 S 0.70523776050834 0.25000000000000 0.71844733846759 32.065 > 10 *11 S 0.97653879343590 0.25000000000000 0.39182250980933 32.065 > 11 12 S 0.47653879343590 0.25000000000000 0.10817749019067 32.065 > 12 13 S 0.83818779964908 0.25000000000000 0.98921593463914 32.065 > 13 14 S 0.52346120656410 0.75000000000000 0.89182250980933 32.065 > 14 15 S 0.66181220035092 0.75000000000000 0.48921593463914 32.065 > 15 16 S 0.20523776050834 0.25000000000000 0.78155266153241 32.065 > 16 17 S 0.79476223949166 0.75000000000000 0.21844733846759 32.065 > 17 18 S 0.29476223949166 0.75000000000000 0.28155266153241 32.065 > 18 19 S 0.33818779964908 0.25000000000000 0.51078406536086 32.065 > 19 20 S 0.02346120656410 0.75000000000000 0.60817749019067 32.065 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.747904020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.379062400000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.819329620000003 Atomic positions (fractional): *1 Sr 0.28447891285093 0.08333333333333 0.32245215277373 87.620 > 1 2 Sr 0.78447891285093 0.08333333333333 0.32245215277373 87.620 > 1 3 Sr 0.28447891285093 0.41666666666667 0.32245215277373 87.620 > 1 4 Sr 0.78447891285093 0.41666666666667 0.32245215277373 87.620 > 1 5 Sr 0.28447891285093 0.75000000000000 0.32245215277373 87.620 > 1 6 Sr 0.78447891285093 0.75000000000000 0.32245215277373 87.620 > 1 7 Sr 0.21552108714907 0.25000000000000 0.67754784722627 87.620 > 2 8 Sr 0.71552108714907 0.25000000000000 0.67754784722627 87.620 > 2 9 Sr 0.21552108714907 0.58333333333333 0.67754784722627 87.620 > 2 10 Sr 0.71552108714907 0.58333333333333 0.67754784722627 87.620 > 2 11 Sr 0.21552108714907 0.91666666666667 0.67754784722627 87.620 > 2 12 Sr 0.71552108714907 0.91666666666667 0.67754784722627 87.620 > 2 13 Sr 0.03447891285093 0.08333333333333 0.17754784722627 87.620 > 3 14 Sr 0.53447891285093 0.08333333333333 0.17754784722627 87.620 > 3 15 Sr 0.03447891285093 0.41666666666667 0.17754784722627 87.620 > 3 16 Sr 0.53447891285093 0.41666666666667 0.17754784722627 87.620 > 3 17 Sr 0.03447891285093 0.75000000000000 0.17754784722627 87.620 > 3 18 Sr 0.53447891285093 0.75000000000000 0.17754784722627 87.620 > 3 19 Sr 0.46552108714907 0.25000000000000 0.82245215277373 87.620 > 4 20 Sr 0.96552108714907 0.25000000000000 0.82245215277373 87.620 > 4 21 Sr 0.46552108714907 0.58333333333333 0.82245215277373 87.620 > 4 22 Sr 0.96552108714907 0.58333333333333 0.82245215277373 87.620 > 4 23 Sr 0.46552108714907 0.91666666666667 0.82245215277373 87.620 > 4 24 Sr 0.96552108714907 0.91666666666667 0.82245215277373 87.620 > 4 *25 Zr 0.08480176407465 0.25000000000000 0.44110342550731 91.224 > 5 26 Zr 0.58480176407465 0.25000000000000 0.44110342550731 91.224 > 5 27 Zr 0.08480176407465 0.58333333333333 0.44110342550731 91.224 > 5 28 Zr 0.58480176407465 0.58333333333333 0.44110342550731 91.224 > 5 29 Zr 0.08480176407465 0.91666666666667 0.44110342550731 91.224 > 5 30 Zr 0.58480176407465 0.91666666666667 0.44110342550731 91.224 > 5 31 Zr 0.33480176407465 0.25000000000000 0.05889657449269 91.224 > 6 32 Zr 0.83480176407465 0.25000000000000 0.05889657449269 91.224 > 6 33 Zr 0.33480176407465 0.58333333333333 0.05889657449269 91.224 > 6 34 Zr 0.83480176407465 0.58333333333333 0.05889657449269 91.224 > 6 35 Zr 0.33480176407465 0.91666666666667 0.05889657449269 91.224 > 6 36 Zr 0.83480176407465 0.91666666666667 0.05889657449269 91.224 > 6 37 Zr 0.16519823592535 0.08333333333333 0.94110342550731 91.224 > 7 38 Zr 0.66519823592535 0.08333333333333 0.94110342550731 91.224 > 7 39 Zr 0.16519823592535 0.41666666666667 0.94110342550731 91.224 > 7 40 Zr 0.66519823592535 0.41666666666667 0.94110342550731 91.224 > 7 41 Zr 0.16519823592535 0.75000000000000 0.94110342550731 91.224 > 7 42 Zr 0.66519823592535 0.75000000000000 0.94110342550731 91.224 > 7 43 Zr 0.41519823592535 0.08333333333333 0.55889657449269 91.224 > 8 44 Zr 0.91519823592535 0.08333333333333 0.55889657449269 91.224 > 8 45 Zr 0.41519823592535 0.41666666666667 0.55889657449269 91.224 > 8 46 Zr 0.91519823592535 0.41666666666667 0.55889657449269 91.224 > 8 47 Zr 0.41519823592535 0.75000000000000 0.55889657449269 91.224 > 8 48 Zr 0.91519823592535 0.75000000000000 0.55889657449269 91.224 > 8 *49 S 0.08090610017546 0.25000000000000 0.01078406536086 32.065 > 9 50 S 0.58090610017546 0.25000000000000 0.01078406536086 32.065 > 9 51 S 0.08090610017546 0.58333333333333 0.01078406536086 32.065 > 9 52 S 0.58090610017546 0.58333333333333 0.01078406536086 32.065 > 9 53 S 0.08090610017546 0.91666666666667 0.01078406536086 32.065 > 9 54 S 0.58090610017546 0.91666666666667 0.01078406536086 32.065 > 9 *55 S 0.35261888025417 0.08333333333333 0.71844733846759 32.065 > 10 56 S 0.85261888025417 0.08333333333333 0.71844733846759 32.065 > 10 57 S 0.35261888025417 0.41666666666667 0.71844733846759 32.065 > 10 58 S 0.85261888025417 0.41666666666667 0.71844733846759 32.065 > 10 59 S 0.35261888025417 0.75000000000000 0.71844733846759 32.065 > 10 60 S 0.85261888025417 0.75000000000000 0.71844733846759 32.065 > 10 *61 S 0.48826939671795 0.08333333333333 0.39182250980933 32.065 > 11 62 S 0.98826939671795 0.08333333333333 0.39182250980933 32.065 > 11 63 S 0.48826939671795 0.41666666666667 0.39182250980933 32.065 > 11 64 S 0.98826939671795 0.41666666666667 0.39182250980933 32.065 > 11 65 S 0.48826939671795 0.75000000000000 0.39182250980933 32.065 > 11 66 S 0.98826939671795 0.75000000000000 0.39182250980933 32.065 > 11 67 S 0.23826939671795 0.08333333333333 0.10817749019067 32.065 > 12 68 S 0.73826939671795 0.08333333333333 0.10817749019067 32.065 > 12 69 S 0.23826939671795 0.41666666666667 0.10817749019067 32.065 > 12 70 S 0.73826939671795 0.41666666666667 0.10817749019067 32.065 > 12 71 S 0.23826939671795 0.75000000000000 0.10817749019067 32.065 > 12 72 S 0.73826939671795 0.75000000000000 0.10817749019067 32.065 > 12 73 S 0.41909389982454 0.08333333333333 0.98921593463914 32.065 > 13 74 S 0.91909389982454 0.08333333333333 0.98921593463914 32.065 > 13 75 S 0.41909389982454 0.41666666666667 0.98921593463914 32.065 > 13 76 S 0.91909389982454 0.41666666666667 0.98921593463914 32.065 > 13 77 S 0.41909389982454 0.75000000000000 0.98921593463914 32.065 > 13 78 S 0.91909389982454 0.75000000000000 0.98921593463914 32.065 > 13 79 S 0.26173060328205 0.25000000000000 0.89182250980933 32.065 > 14 80 S 0.76173060328205 0.25000000000000 0.89182250980933 32.065 > 14 81 S 0.26173060328205 0.58333333333333 0.89182250980933 32.065 > 14 82 S 0.76173060328205 0.58333333333333 0.89182250980933 32.065 > 14 83 S 0.26173060328205 0.91666666666667 0.89182250980933 32.065 > 14 84 S 0.76173060328205 0.91666666666667 0.89182250980933 32.065 > 14 85 S 0.33090610017546 0.25000000000000 0.48921593463914 32.065 > 15 86 S 0.83090610017546 0.25000000000000 0.48921593463914 32.065 > 15 87 S 0.33090610017546 0.58333333333333 0.48921593463914 32.065 > 15 88 S 0.83090610017546 0.58333333333333 0.48921593463914 32.065 > 15 89 S 0.33090610017546 0.91666666666667 0.48921593463914 32.065 > 15 90 S 0.83090610017546 0.91666666666667 0.48921593463914 32.065 > 15 91 S 0.10261888025417 0.08333333333333 0.78155266153241 32.065 > 16 92 S 0.60261888025417 0.08333333333333 0.78155266153241 32.065 > 16 93 S 0.10261888025417 0.41666666666667 0.78155266153241 32.065 > 16 94 S 0.60261888025417 0.41666666666667 0.78155266153241 32.065 > 16 95 S 0.10261888025417 0.75000000000000 0.78155266153241 32.065 > 16 96 S 0.60261888025417 0.75000000000000 0.78155266153241 32.065 > 16 97 S 0.39738111974583 0.25000000000000 0.21844733846759 32.065 > 17 98 S 0.89738111974583 0.25000000000000 0.21844733846759 32.065 > 17 99 S 0.39738111974583 0.58333333333333 0.21844733846759 32.065 > 17 100 S 0.89738111974583 0.58333333333333 0.21844733846759 32.065 > 17 101 S 0.39738111974583 0.91666666666667 0.21844733846759 32.065 > 17 102 S 0.89738111974583 0.91666666666667 0.21844733846759 32.065 > 17 103 S 0.14738111974583 0.25000000000000 0.28155266153241 32.065 > 18 104 S 0.64738111974583 0.25000000000000 0.28155266153241 32.065 > 18 105 S 0.14738111974583 0.58333333333333 0.28155266153241 32.065 > 18 106 S 0.64738111974583 0.58333333333333 0.28155266153241 32.065 > 18 107 S 0.14738111974583 0.91666666666667 0.28155266153241 32.065 > 18 108 S 0.64738111974583 0.91666666666667 0.28155266153241 32.065 > 18 109 S 0.16909389982454 0.08333333333333 0.51078406536086 32.065 > 19 110 S 0.66909389982454 0.08333333333333 0.51078406536086 32.065 > 19 111 S 0.16909389982454 0.41666666666667 0.51078406536086 32.065 > 19 112 S 0.66909389982454 0.41666666666667 0.51078406536086 32.065 > 19 113 S 0.16909389982454 0.75000000000000 0.51078406536086 32.065 > 19 114 S 0.66909389982454 0.75000000000000 0.51078406536086 32.065 > 19 115 S 0.01173060328205 0.25000000000000 0.60817749019067 32.065 > 20 116 S 0.51173060328205 0.25000000000000 0.60817749019067 32.065 > 20 117 S 0.01173060328205 0.58333333333333 0.60817749019067 32.065 > 20 118 S 0.51173060328205 0.58333333333333 0.60817749019067 32.065 > 20 119 S 0.01173060328205 0.91666666666667 0.60817749019067 32.065 > 20 120 S 0.51173060328205 0.91666666666667 0.60817749019067 32.065 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6548239 0.0000000 0.0000000 0.0000000 10.2309548 0.0000000 0.0000000 0.0000000 7.5949798 -------------------------- Born effective charges -------------------------- 1 Sr 2.9276274 0.0000000 0.3162021 0.0000000 2.2309624 0.0000000 -0.4188342 0.0000000 2.9723791 2 Sr 2.9276274 0.0000000 0.3162021 0.0000000 2.2309624 0.0000000 -0.4188342 0.0000000 2.9723791 3 Sr 2.9276274 0.0000000 -0.3162021 0.0000000 2.2309624 0.0000000 0.4188342 0.0000000 2.9723791 4 Sr 2.9276274 0.0000000 -0.3162021 0.0000000 2.2309624 0.0000000 0.4188342 0.0000000 2.9723791 5 Zr 4.1046852 0.0000000 -0.9128318 0.0000000 7.6314654 0.0000000 -0.9144083 0.0000000 4.2207644 6 Zr 4.1046852 0.0000000 0.9128318 0.0000000 7.6314654 0.0000000 0.9144083 0.0000000 4.2207644 7 Zr 4.1046852 0.0000000 0.9128318 0.0000000 7.6314654 0.0000000 0.9144083 0.0000000 4.2207644 8 Zr 4.1046852 0.0000000 -0.9128318 0.0000000 7.6314654 0.0000000 -0.9144083 0.0000000 4.2207644 9 S -2.1661786 0.0000000 0.6679213 0.0000000 -4.3863675 0.0000000 0.6328879 0.0000000 -1.9140238 10 S -2.4480985 0.0000000 0.5714257 0.0000000 -1.8177713 0.0000000 0.6082900 0.0000000 -3.1296777 11 S -2.4180354 0.0000000 0.3528586 0.0000000 -3.6582890 0.0000000 0.5239229 0.0000000 -2.1494420 12 S -2.4180354 0.0000000 -0.3528586 0.0000000 -3.6582890 0.0000000 -0.5239229 0.0000000 -2.1494420 13 S -2.1661786 0.0000000 0.6679213 0.0000000 -4.3863675 0.0000000 0.6328879 0.0000000 -1.9140238 14 S -2.4180354 0.0000000 -0.3528586 0.0000000 -3.6582890 0.0000000 -0.5239229 0.0000000 -2.1494420 15 S -2.1661786 0.0000000 -0.6679213 0.0000000 -4.3863675 0.0000000 -0.6328879 0.0000000 -1.9140238 16 S -2.4480985 0.0000000 -0.5714257 0.0000000 -1.8177713 0.0000000 -0.6082900 0.0000000 -3.1296777 17 S -2.4480985 0.0000000 -0.5714257 0.0000000 -1.8177713 0.0000000 -0.6082900 0.0000000 -3.1296777 18 S -2.4480985 0.0000000 0.5714257 0.0000000 -1.8177713 0.0000000 0.6082900 0.0000000 -3.1296777 19 S -2.1661786 0.0000000 -0.6679213 0.0000000 -4.3863675 0.0000000 -0.6328879 0.0000000 -1.9140238 20 S -2.4180354 0.0000000 0.3528586 0.0000000 -3.6582890 0.0000000 0.5239229 0.0000000 -2.1494420 ---------------------------------------------------------------------------- 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: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.130 Solver_block: 200 / 320 - Time: 2.163 Solver_block: 300 / 320 - Time: 2.160 Solver_block: 320 / 320 - Time: 0.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.024 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:25:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:25:11]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.373952010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793020800000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.819329620000003 Atomic positions (fractional): 1 Sr 0.56895782570186 0.25000000000000 0.32245215277373 87.620 2 Sr 0.43104217429815 0.75000000000000 0.67754784722627 87.620 3 Sr 0.06895782570186 0.25000000000000 0.17754784722627 87.620 4 Sr 0.93104217429814 0.75000000000000 0.82245215277373 87.620 5 Zr 0.16960352814931 0.75000000000000 0.44110342550731 91.224 6 Zr 0.66960352814931 0.75000000000000 0.05889657449269 91.224 7 Zr 0.33039647185069 0.25000000000000 0.94110342550731 91.224 8 Zr 0.83039647185069 0.25000000000000 0.55889657449269 91.224 9 S 0.16181220035092 0.75000000000000 0.01078406536086 32.065 10 S 0.70523776050834 0.25000000000000 0.71844733846759 32.065 11 S 0.97653879343590 0.25000000000000 0.39182250980933 32.065 12 S 0.47653879343590 0.25000000000000 0.10817749019067 32.065 13 S 0.83818779964908 0.25000000000000 0.98921593463914 32.065 14 S 0.52346120656410 0.75000000000000 0.89182250980933 32.065 15 S 0.66181220035092 0.75000000000000 0.48921593463914 32.065 16 S 0.20523776050834 0.25000000000000 0.78155266153241 32.065 17 S 0.79476223949166 0.75000000000000 0.21844733846759 32.065 18 S 0.29476223949166 0.75000000000000 0.28155266153241 32.065 19 S 0.33818779964908 0.25000000000000 0.51078406536086 32.065 20 S 0.02346120656410 0.75000000000000 0.60817749019067 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.747904020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.379062400000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.819329620000003 Atomic positions (fractional): 1 Sr 0.28447891285093 0.08333333333333 0.32245215277373 87.620 > 1 2 Sr 0.78447891285093 0.08333333333333 0.32245215277373 87.620 > 1 3 Sr 0.28447891285093 0.41666666666667 0.32245215277373 87.620 > 1 4 Sr 0.78447891285093 0.41666666666667 0.32245215277373 87.620 > 1 5 Sr 0.28447891285093 0.75000000000000 0.32245215277373 87.620 > 1 6 Sr 0.78447891285093 0.75000000000000 0.32245215277373 87.620 > 1 7 Sr 0.21552108714907 0.25000000000000 0.67754784722627 87.620 > 7 8 Sr 0.71552108714907 0.25000000000000 0.67754784722627 87.620 > 7 9 Sr 0.21552108714907 0.58333333333333 0.67754784722627 87.620 > 7 10 Sr 0.71552108714907 0.58333333333333 0.67754784722627 87.620 > 7 11 Sr 0.21552108714907 0.91666666666667 0.67754784722627 87.620 > 7 12 Sr 0.71552108714907 0.91666666666667 0.67754784722627 87.620 > 7 13 Sr 0.03447891285093 0.08333333333333 0.17754784722627 87.620 > 13 14 Sr 0.53447891285093 0.08333333333333 0.17754784722627 87.620 > 13 15 Sr 0.03447891285093 0.41666666666667 0.17754784722627 87.620 > 13 16 Sr 0.53447891285093 0.41666666666667 0.17754784722627 87.620 > 13 17 Sr 0.03447891285093 0.75000000000000 0.17754784722627 87.620 > 13 18 Sr 0.53447891285093 0.75000000000000 0.17754784722627 87.620 > 13 19 Sr 0.46552108714907 0.25000000000000 0.82245215277373 87.620 > 19 20 Sr 0.96552108714907 0.25000000000000 0.82245215277373 87.620 > 19 21 Sr 0.46552108714907 0.58333333333333 0.82245215277373 87.620 > 19 22 Sr 0.96552108714907 0.58333333333333 0.82245215277373 87.620 > 19 23 Sr 0.46552108714907 0.91666666666667 0.82245215277373 87.620 > 19 24 Sr 0.96552108714907 0.91666666666667 0.82245215277373 87.620 > 19 25 Zr 0.08480176407465 0.25000000000000 0.44110342550731 91.224 > 25 26 Zr 0.58480176407465 0.25000000000000 0.44110342550731 91.224 > 25 27 Zr 0.08480176407465 0.58333333333333 0.44110342550731 91.224 > 25 28 Zr 0.58480176407465 0.58333333333333 0.44110342550731 91.224 > 25 29 Zr 0.08480176407465 0.91666666666667 0.44110342550731 91.224 > 25 30 Zr 0.58480176407465 0.91666666666667 0.44110342550731 91.224 > 25 31 Zr 0.33480176407465 0.25000000000000 0.05889657449269 91.224 > 31 32 Zr 0.83480176407465 0.25000000000000 0.05889657449269 91.224 > 31 33 Zr 0.33480176407465 0.58333333333333 0.05889657449269 91.224 > 31 34 Zr 0.83480176407465 0.58333333333333 0.05889657449269 91.224 > 31 35 Zr 0.33480176407465 0.91666666666667 0.05889657449269 91.224 > 31 36 Zr 0.83480176407465 0.91666666666667 0.05889657449269 91.224 > 31 37 Zr 0.16519823592535 0.08333333333333 0.94110342550731 91.224 > 37 38 Zr 0.66519823592535 0.08333333333333 0.94110342550731 91.224 > 37 39 Zr 0.16519823592535 0.41666666666667 0.94110342550731 91.224 > 37 40 Zr 0.66519823592535 0.41666666666667 0.94110342550731 91.224 > 37 41 Zr 0.16519823592535 0.75000000000000 0.94110342550731 91.224 > 37 42 Zr 0.66519823592535 0.75000000000000 0.94110342550731 91.224 > 37 43 Zr 0.41519823592535 0.08333333333333 0.55889657449269 91.224 > 43 44 Zr 0.91519823592535 0.08333333333333 0.55889657449269 91.224 > 43 45 Zr 0.41519823592535 0.41666666666667 0.55889657449269 91.224 > 43 46 Zr 0.91519823592535 0.41666666666667 0.55889657449269 91.224 > 43 47 Zr 0.41519823592535 0.75000000000000 0.55889657449269 91.224 > 43 48 Zr 0.91519823592535 0.75000000000000 0.55889657449269 91.224 > 43 49 S 0.08090610017546 0.25000000000000 0.01078406536086 32.065 > 49 50 S 0.58090610017546 0.25000000000000 0.01078406536086 32.065 > 49 51 S 0.08090610017546 0.58333333333333 0.01078406536086 32.065 > 49 52 S 0.58090610017546 0.58333333333333 0.01078406536086 32.065 > 49 53 S 0.08090610017546 0.91666666666667 0.01078406536086 32.065 > 49 54 S 0.58090610017546 0.91666666666667 0.01078406536086 32.065 > 49 55 S 0.35261888025417 0.08333333333333 0.71844733846759 32.065 > 55 56 S 0.85261888025417 0.08333333333333 0.71844733846759 32.065 > 55 57 S 0.35261888025417 0.41666666666667 0.71844733846759 32.065 > 55 58 S 0.85261888025417 0.41666666666667 0.71844733846759 32.065 > 55 59 S 0.35261888025417 0.75000000000000 0.71844733846759 32.065 > 55 60 S 0.85261888025417 0.75000000000000 0.71844733846759 32.065 > 55 61 S 0.48826939671795 0.08333333333333 0.39182250980933 32.065 > 61 62 S 0.98826939671795 0.08333333333333 0.39182250980933 32.065 > 61 63 S 0.48826939671795 0.41666666666667 0.39182250980933 32.065 > 61 64 S 0.98826939671795 0.41666666666667 0.39182250980933 32.065 > 61 65 S 0.48826939671795 0.75000000000000 0.39182250980933 32.065 > 61 66 S 0.98826939671795 0.75000000000000 0.39182250980933 32.065 > 61 67 S 0.23826939671795 0.08333333333333 0.10817749019067 32.065 > 67 68 S 0.73826939671795 0.08333333333333 0.10817749019067 32.065 > 67 69 S 0.23826939671795 0.41666666666667 0.10817749019067 32.065 > 67 70 S 0.73826939671795 0.41666666666667 0.10817749019067 32.065 > 67 71 S 0.23826939671795 0.75000000000000 0.10817749019067 32.065 > 67 72 S 0.73826939671795 0.75000000000000 0.10817749019067 32.065 > 67 73 S 0.41909389982454 0.08333333333333 0.98921593463914 32.065 > 73 74 S 0.91909389982454 0.08333333333333 0.98921593463914 32.065 > 73 75 S 0.41909389982454 0.41666666666667 0.98921593463914 32.065 > 73 76 S 0.91909389982454 0.41666666666667 0.98921593463914 32.065 > 73 77 S 0.41909389982454 0.75000000000000 0.98921593463914 32.065 > 73 78 S 0.91909389982454 0.75000000000000 0.98921593463914 32.065 > 73 79 S 0.26173060328205 0.25000000000000 0.89182250980933 32.065 > 79 80 S 0.76173060328205 0.25000000000000 0.89182250980933 32.065 > 79 81 S 0.26173060328205 0.58333333333333 0.89182250980933 32.065 > 79 82 S 0.76173060328205 0.58333333333333 0.89182250980933 32.065 > 79 83 S 0.26173060328205 0.91666666666667 0.89182250980933 32.065 > 79 84 S 0.76173060328205 0.91666666666667 0.89182250980933 32.065 > 79 85 S 0.33090610017546 0.25000000000000 0.48921593463914 32.065 > 85 86 S 0.83090610017546 0.25000000000000 0.48921593463914 32.065 > 85 87 S 0.33090610017546 0.58333333333333 0.48921593463914 32.065 > 85 88 S 0.83090610017546 0.58333333333333 0.48921593463914 32.065 > 85 89 S 0.33090610017546 0.91666666666667 0.48921593463914 32.065 > 85 90 S 0.83090610017546 0.91666666666667 0.48921593463914 32.065 > 85 91 S 0.10261888025417 0.08333333333333 0.78155266153241 32.065 > 91 92 S 0.60261888025417 0.08333333333333 0.78155266153241 32.065 > 91 93 S 0.10261888025417 0.41666666666667 0.78155266153241 32.065 > 91 94 S 0.60261888025417 0.41666666666667 0.78155266153241 32.065 > 91 95 S 0.10261888025417 0.75000000000000 0.78155266153241 32.065 > 91 96 S 0.60261888025417 0.75000000000000 0.78155266153241 32.065 > 91 97 S 0.39738111974583 0.25000000000000 0.21844733846759 32.065 > 97 98 S 0.89738111974583 0.25000000000000 0.21844733846759 32.065 > 97 99 S 0.39738111974583 0.58333333333333 0.21844733846759 32.065 > 97 100 S 0.89738111974583 0.58333333333333 0.21844733846759 32.065 > 97 101 S 0.39738111974583 0.91666666666667 0.21844733846759 32.065 > 97 102 S 0.89738111974583 0.91666666666667 0.21844733846759 32.065 > 97 103 S 0.14738111974583 0.25000000000000 0.28155266153241 32.065 > 103 104 S 0.64738111974583 0.25000000000000 0.28155266153241 32.065 > 103 105 S 0.14738111974583 0.58333333333333 0.28155266153241 32.065 > 103 106 S 0.64738111974583 0.58333333333333 0.28155266153241 32.065 > 103 107 S 0.14738111974583 0.91666666666667 0.28155266153241 32.065 > 103 108 S 0.64738111974583 0.91666666666667 0.28155266153241 32.065 > 103 109 S 0.16909389982454 0.08333333333333 0.51078406536086 32.065 > 109 110 S 0.66909389982454 0.08333333333333 0.51078406536086 32.065 > 109 111 S 0.16909389982454 0.41666666666667 0.51078406536086 32.065 > 109 112 S 0.66909389982454 0.41666666666667 0.51078406536086 32.065 > 109 113 S 0.16909389982454 0.75000000000000 0.51078406536086 32.065 > 109 114 S 0.66909389982454 0.75000000000000 0.51078406536086 32.065 > 109 115 S 0.01173060328205 0.25000000000000 0.60817749019067 32.065 > 115 116 S 0.51173060328205 0.25000000000000 0.60817749019067 32.065 > 115 117 S 0.01173060328205 0.58333333333333 0.60817749019067 32.065 > 115 118 S 0.51173060328205 0.58333333333333 0.60817749019067 32.065 > 115 119 S 0.01173060328205 0.91666666666667 0.60817749019067 32.065 > 115 120 S 0.51173060328205 0.91666666666667 0.60817749019067 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6548239 0.0000000 0.0000000 0.0000000 10.2309548 0.0000000 0.0000000 0.0000000 7.5949798 -------------------------- Born effective charges -------------------------- 1 Sr 2.9276274 0.0000000 0.3162021 0.0000000 2.2309624 0.0000000 -0.4188342 0.0000000 2.9723791 2 Sr 2.9276274 0.0000000 0.3162021 0.0000000 2.2309624 0.0000000 -0.4188342 0.0000000 2.9723791 3 Sr 2.9276274 0.0000000 -0.3162021 0.0000000 2.2309624 0.0000000 0.4188342 0.0000000 2.9723791 4 Sr 2.9276274 0.0000000 -0.3162021 0.0000000 2.2309624 0.0000000 0.4188342 0.0000000 2.9723791 5 Zr 4.1046852 0.0000000 -0.9128318 0.0000000 7.6314654 0.0000000 -0.9144083 0.0000000 4.2207644 6 Zr 4.1046852 0.0000000 0.9128318 0.0000000 7.6314654 0.0000000 0.9144083 0.0000000 4.2207644 7 Zr 4.1046852 0.0000000 0.9128318 0.0000000 7.6314654 0.0000000 0.9144083 0.0000000 4.2207644 8 Zr 4.1046852 0.0000000 -0.9128318 0.0000000 7.6314654 0.0000000 -0.9144083 0.0000000 4.2207644 9 S -2.1661786 0.0000000 0.6679213 0.0000000 -4.3863675 0.0000000 0.6328879 0.0000000 -1.9140238 10 S -2.4480985 0.0000000 0.5714257 0.0000000 -1.8177713 0.0000000 0.6082900 0.0000000 -3.1296777 11 S -2.4180354 0.0000000 0.3528586 0.0000000 -3.6582890 0.0000000 0.5239229 0.0000000 -2.1494420 12 S -2.4180354 0.0000000 -0.3528586 0.0000000 -3.6582890 0.0000000 -0.5239229 0.0000000 -2.1494420 13 S -2.1661786 0.0000000 0.6679213 0.0000000 -4.3863675 0.0000000 0.6328879 0.0000000 -1.9140238 14 S -2.4180354 0.0000000 -0.3528586 0.0000000 -3.6582890 0.0000000 -0.5239229 0.0000000 -2.1494420 15 S -2.1661786 0.0000000 -0.6679213 0.0000000 -4.3863675 0.0000000 -0.6328879 0.0000000 -1.9140238 16 S -2.4480985 0.0000000 -0.5714257 0.0000000 -1.8177713 0.0000000 -0.6082900 0.0000000 -3.1296777 17 S -2.4480985 0.0000000 -0.5714257 0.0000000 -1.8177713 0.0000000 -0.6082900 0.0000000 -3.1296777 18 S -2.4480985 0.0000000 0.5714257 0.0000000 -1.8177713 0.0000000 0.6082900 0.0000000 -3.1296777 19 S -2.1661786 0.0000000 -0.6679213 0.0000000 -4.3863675 0.0000000 -0.6328879 0.0000000 -1.9140238 20 S -2.4180354 0.0000000 0.3528586 0.0000000 -3.6582890 0.0000000 0.5239229 0.0000000 -2.1494420 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (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 2026-01-08 14:25:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:25:31]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.373952010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.793020800000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.819329620000003 Atomic positions (fractional): 1 Sr 0.56895782570186 0.25000000000000 0.32245215277373 87.620 2 Sr 0.43104217429815 0.75000000000000 0.67754784722627 87.620 3 Sr 0.06895782570186 0.25000000000000 0.17754784722627 87.620 4 Sr 0.93104217429814 0.75000000000000 0.82245215277373 87.620 5 Zr 0.16960352814931 0.75000000000000 0.44110342550731 91.224 6 Zr 0.66960352814931 0.75000000000000 0.05889657449269 91.224 7 Zr 0.33039647185069 0.25000000000000 0.94110342550731 91.224 8 Zr 0.83039647185069 0.25000000000000 0.55889657449269 91.224 9 S 0.16181220035092 0.75000000000000 0.01078406536086 32.065 10 S 0.70523776050834 0.25000000000000 0.71844733846759 32.065 11 S 0.97653879343590 0.25000000000000 0.39182250980933 32.065 12 S 0.47653879343590 0.25000000000000 0.10817749019067 32.065 13 S 0.83818779964908 0.25000000000000 0.98921593463914 32.065 14 S 0.52346120656410 0.75000000000000 0.89182250980933 32.065 15 S 0.66181220035092 0.75000000000000 0.48921593463914 32.065 16 S 0.20523776050834 0.25000000000000 0.78155266153241 32.065 17 S 0.79476223949166 0.75000000000000 0.21844733846759 32.065 18 S 0.29476223949166 0.75000000000000 0.28155266153241 32.065 19 S 0.33818779964908 0.25000000000000 0.51078406536086 32.065 20 S 0.02346120656410 0.75000000000000 0.60817749019067 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.747904020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.379062400000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.819329620000003 Atomic positions (fractional): 1 Sr 0.28447891285093 0.08333333333333 0.32245215277373 87.620 > 1 2 Sr 0.78447891285093 0.08333333333333 0.32245215277373 87.620 > 1 3 Sr 0.28447891285093 0.41666666666667 0.32245215277373 87.620 > 1 4 Sr 0.78447891285093 0.41666666666667 0.32245215277373 87.620 > 1 5 Sr 0.28447891285093 0.75000000000000 0.32245215277373 87.620 > 1 6 Sr 0.78447891285093 0.75000000000000 0.32245215277373 87.620 > 1 7 Sr 0.21552108714907 0.25000000000000 0.67754784722627 87.620 > 7 8 Sr 0.71552108714907 0.25000000000000 0.67754784722627 87.620 > 7 9 Sr 0.21552108714907 0.58333333333333 0.67754784722627 87.620 > 7 10 Sr 0.71552108714907 0.58333333333333 0.67754784722627 87.620 > 7 11 Sr 0.21552108714907 0.91666666666667 0.67754784722627 87.620 > 7 12 Sr 0.71552108714907 0.91666666666667 0.67754784722627 87.620 > 7 13 Sr 0.03447891285093 0.08333333333333 0.17754784722627 87.620 > 13 14 Sr 0.53447891285093 0.08333333333333 0.17754784722627 87.620 > 13 15 Sr 0.03447891285093 0.41666666666667 0.17754784722627 87.620 > 13 16 Sr 0.53447891285093 0.41666666666667 0.17754784722627 87.620 > 13 17 Sr 0.03447891285093 0.75000000000000 0.17754784722627 87.620 > 13 18 Sr 0.53447891285093 0.75000000000000 0.17754784722627 87.620 > 13 19 Sr 0.46552108714907 0.25000000000000 0.82245215277373 87.620 > 19 20 Sr 0.96552108714907 0.25000000000000 0.82245215277373 87.620 > 19 21 Sr 0.46552108714907 0.58333333333333 0.82245215277373 87.620 > 19 22 Sr 0.96552108714907 0.58333333333333 0.82245215277373 87.620 > 19 23 Sr 0.46552108714907 0.91666666666667 0.82245215277373 87.620 > 19 24 Sr 0.96552108714907 0.91666666666667 0.82245215277373 87.620 > 19 25 Zr 0.08480176407465 0.25000000000000 0.44110342550731 91.224 > 25 26 Zr 0.58480176407465 0.25000000000000 0.44110342550731 91.224 > 25 27 Zr 0.08480176407465 0.58333333333333 0.44110342550731 91.224 > 25 28 Zr 0.58480176407465 0.58333333333333 0.44110342550731 91.224 > 25 29 Zr 0.08480176407465 0.91666666666667 0.44110342550731 91.224 > 25 30 Zr 0.58480176407465 0.91666666666667 0.44110342550731 91.224 > 25 31 Zr 0.33480176407465 0.25000000000000 0.05889657449269 91.224 > 31 32 Zr 0.83480176407465 0.25000000000000 0.05889657449269 91.224 > 31 33 Zr 0.33480176407465 0.58333333333333 0.05889657449269 91.224 > 31 34 Zr 0.83480176407465 0.58333333333333 0.05889657449269 91.224 > 31 35 Zr 0.33480176407465 0.91666666666667 0.05889657449269 91.224 > 31 36 Zr 0.83480176407465 0.91666666666667 0.05889657449269 91.224 > 31 37 Zr 0.16519823592535 0.08333333333333 0.94110342550731 91.224 > 37 38 Zr 0.66519823592535 0.08333333333333 0.94110342550731 91.224 > 37 39 Zr 0.16519823592535 0.41666666666667 0.94110342550731 91.224 > 37 40 Zr 0.66519823592535 0.41666666666667 0.94110342550731 91.224 > 37 41 Zr 0.16519823592535 0.75000000000000 0.94110342550731 91.224 > 37 42 Zr 0.66519823592535 0.75000000000000 0.94110342550731 91.224 > 37 43 Zr 0.41519823592535 0.08333333333333 0.55889657449269 91.224 > 43 44 Zr 0.91519823592535 0.08333333333333 0.55889657449269 91.224 > 43 45 Zr 0.41519823592535 0.41666666666667 0.55889657449269 91.224 > 43 46 Zr 0.91519823592535 0.41666666666667 0.55889657449269 91.224 > 43 47 Zr 0.41519823592535 0.75000000000000 0.55889657449269 91.224 > 43 48 Zr 0.91519823592535 0.75000000000000 0.55889657449269 91.224 > 43 49 S 0.08090610017546 0.25000000000000 0.01078406536086 32.065 > 49 50 S 0.58090610017546 0.25000000000000 0.01078406536086 32.065 > 49 51 S 0.08090610017546 0.58333333333333 0.01078406536086 32.065 > 49 52 S 0.58090610017546 0.58333333333333 0.01078406536086 32.065 > 49 53 S 0.08090610017546 0.91666666666667 0.01078406536086 32.065 > 49 54 S 0.58090610017546 0.91666666666667 0.01078406536086 32.065 > 49 55 S 0.35261888025417 0.08333333333333 0.71844733846759 32.065 > 55 56 S 0.85261888025417 0.08333333333333 0.71844733846759 32.065 > 55 57 S 0.35261888025417 0.41666666666667 0.71844733846759 32.065 > 55 58 S 0.85261888025417 0.41666666666667 0.71844733846759 32.065 > 55 59 S 0.35261888025417 0.75000000000000 0.71844733846759 32.065 > 55 60 S 0.85261888025417 0.75000000000000 0.71844733846759 32.065 > 55 61 S 0.48826939671795 0.08333333333333 0.39182250980933 32.065 > 61 62 S 0.98826939671795 0.08333333333333 0.39182250980933 32.065 > 61 63 S 0.48826939671795 0.41666666666667 0.39182250980933 32.065 > 61 64 S 0.98826939671795 0.41666666666667 0.39182250980933 32.065 > 61 65 S 0.48826939671795 0.75000000000000 0.39182250980933 32.065 > 61 66 S 0.98826939671795 0.75000000000000 0.39182250980933 32.065 > 61 67 S 0.23826939671795 0.08333333333333 0.10817749019067 32.065 > 67 68 S 0.73826939671795 0.08333333333333 0.10817749019067 32.065 > 67 69 S 0.23826939671795 0.41666666666667 0.10817749019067 32.065 > 67 70 S 0.73826939671795 0.41666666666667 0.10817749019067 32.065 > 67 71 S 0.23826939671795 0.75000000000000 0.10817749019067 32.065 > 67 72 S 0.73826939671795 0.75000000000000 0.10817749019067 32.065 > 67 73 S 0.41909389982454 0.08333333333333 0.98921593463914 32.065 > 73 74 S 0.91909389982454 0.08333333333333 0.98921593463914 32.065 > 73 75 S 0.41909389982454 0.41666666666667 0.98921593463914 32.065 > 73 76 S 0.91909389982454 0.41666666666667 0.98921593463914 32.065 > 73 77 S 0.41909389982454 0.75000000000000 0.98921593463914 32.065 > 73 78 S 0.91909389982454 0.75000000000000 0.98921593463914 32.065 > 73 79 S 0.26173060328205 0.25000000000000 0.89182250980933 32.065 > 79 80 S 0.76173060328205 0.25000000000000 0.89182250980933 32.065 > 79 81 S 0.26173060328205 0.58333333333333 0.89182250980933 32.065 > 79 82 S 0.76173060328205 0.58333333333333 0.89182250980933 32.065 > 79 83 S 0.26173060328205 0.91666666666667 0.89182250980933 32.065 > 79 84 S 0.76173060328205 0.91666666666667 0.89182250980933 32.065 > 79 85 S 0.33090610017546 0.25000000000000 0.48921593463914 32.065 > 85 86 S 0.83090610017546 0.25000000000000 0.48921593463914 32.065 > 85 87 S 0.33090610017546 0.58333333333333 0.48921593463914 32.065 > 85 88 S 0.83090610017546 0.58333333333333 0.48921593463914 32.065 > 85 89 S 0.33090610017546 0.91666666666667 0.48921593463914 32.065 > 85 90 S 0.83090610017546 0.91666666666667 0.48921593463914 32.065 > 85 91 S 0.10261888025417 0.08333333333333 0.78155266153241 32.065 > 91 92 S 0.60261888025417 0.08333333333333 0.78155266153241 32.065 > 91 93 S 0.10261888025417 0.41666666666667 0.78155266153241 32.065 > 91 94 S 0.60261888025417 0.41666666666667 0.78155266153241 32.065 > 91 95 S 0.10261888025417 0.75000000000000 0.78155266153241 32.065 > 91 96 S 0.60261888025417 0.75000000000000 0.78155266153241 32.065 > 91 97 S 0.39738111974583 0.25000000000000 0.21844733846759 32.065 > 97 98 S 0.89738111974583 0.25000000000000 0.21844733846759 32.065 > 97 99 S 0.39738111974583 0.58333333333333 0.21844733846759 32.065 > 97 100 S 0.89738111974583 0.58333333333333 0.21844733846759 32.065 > 97 101 S 0.39738111974583 0.91666666666667 0.21844733846759 32.065 > 97 102 S 0.89738111974583 0.91666666666667 0.21844733846759 32.065 > 97 103 S 0.14738111974583 0.25000000000000 0.28155266153241 32.065 > 103 104 S 0.64738111974583 0.25000000000000 0.28155266153241 32.065 > 103 105 S 0.14738111974583 0.58333333333333 0.28155266153241 32.065 > 103 106 S 0.64738111974583 0.58333333333333 0.28155266153241 32.065 > 103 107 S 0.14738111974583 0.91666666666667 0.28155266153241 32.065 > 103 108 S 0.64738111974583 0.91666666666667 0.28155266153241 32.065 > 103 109 S 0.16909389982454 0.08333333333333 0.51078406536086 32.065 > 109 110 S 0.66909389982454 0.08333333333333 0.51078406536086 32.065 > 109 111 S 0.16909389982454 0.41666666666667 0.51078406536086 32.065 > 109 112 S 0.66909389982454 0.41666666666667 0.51078406536086 32.065 > 109 113 S 0.16909389982454 0.75000000000000 0.51078406536086 32.065 > 109 114 S 0.66909389982454 0.75000000000000 0.51078406536086 32.065 > 109 115 S 0.01173060328205 0.25000000000000 0.60817749019067 32.065 > 115 116 S 0.51173060328205 0.25000000000000 0.60817749019067 32.065 > 115 117 S 0.01173060328205 0.58333333333333 0.60817749019067 32.065 > 115 118 S 0.51173060328205 0.58333333333333 0.60817749019067 32.065 > 115 119 S 0.01173060328205 0.91666666666667 0.60817749019067 32.065 > 115 120 S 0.51173060328205 0.91666666666667 0.60817749019067 32.065 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6548239 0.0000000 0.0000000 0.0000000 10.2309548 0.0000000 0.0000000 0.0000000 7.5949798 -------------------------- Born effective charges -------------------------- 1 Sr 2.9276274 0.0000000 0.3162021 0.0000000 2.2309624 0.0000000 -0.4188342 0.0000000 2.9723791 2 Sr 2.9276274 0.0000000 0.3162021 0.0000000 2.2309624 0.0000000 -0.4188342 0.0000000 2.9723791 3 Sr 2.9276274 0.0000000 -0.3162021 0.0000000 2.2309624 0.0000000 0.4188342 0.0000000 2.9723791 4 Sr 2.9276274 0.0000000 -0.3162021 0.0000000 2.2309624 0.0000000 0.4188342 0.0000000 2.9723791 5 Zr 4.1046852 0.0000000 -0.9128318 0.0000000 7.6314654 0.0000000 -0.9144083 0.0000000 4.2207644 6 Zr 4.1046852 0.0000000 0.9128318 0.0000000 7.6314654 0.0000000 0.9144083 0.0000000 4.2207644 7 Zr 4.1046852 0.0000000 0.9128318 0.0000000 7.6314654 0.0000000 0.9144083 0.0000000 4.2207644 8 Zr 4.1046852 0.0000000 -0.9128318 0.0000000 7.6314654 0.0000000 -0.9144083 0.0000000 4.2207644 9 S -2.1661786 0.0000000 0.6679213 0.0000000 -4.3863675 0.0000000 0.6328879 0.0000000 -1.9140238 10 S -2.4480985 0.0000000 0.5714257 0.0000000 -1.8177713 0.0000000 0.6082900 0.0000000 -3.1296777 11 S -2.4180354 0.0000000 0.3528586 0.0000000 -3.6582890 0.0000000 0.5239229 0.0000000 -2.1494420 12 S -2.4180354 0.0000000 -0.3528586 0.0000000 -3.6582890 0.0000000 -0.5239229 0.0000000 -2.1494420 13 S -2.1661786 0.0000000 0.6679213 0.0000000 -4.3863675 0.0000000 0.6328879 0.0000000 -1.9140238 14 S -2.4180354 0.0000000 -0.3528586 0.0000000 -3.6582890 0.0000000 -0.5239229 0.0000000 -2.1494420 15 S -2.1661786 0.0000000 -0.6679213 0.0000000 -4.3863675 0.0000000 -0.6328879 0.0000000 -1.9140238 16 S -2.4480985 0.0000000 -0.5714257 0.0000000 -1.8177713 0.0000000 -0.6082900 0.0000000 -3.1296777 17 S -2.4480985 0.0000000 -0.5714257 0.0000000 -1.8177713 0.0000000 -0.6082900 0.0000000 -3.1296777 18 S -2.4480985 0.0000000 0.5714257 0.0000000 -1.8177713 0.0000000 0.6082900 0.0000000 -3.1296777 19 S -2.1661786 0.0000000 -0.6679213 0.0000000 -4.3863675 0.0000000 -0.6328879 0.0000000 -1.9140238 20 S -2.4180354 0.0000000 0.3528586 0.0000000 -3.6582890 0.0000000 0.5239229 0.0000000 -2.1494420 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 13 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: 0.55, Number of G-points: 287, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 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 1.543 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 4.968 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 6.115 ( 0.000 0.000 0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.692 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 10.133 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.007 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.17 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 25.472 0.000 0.000) 25.472 0.669 ( 31.997 0.000 0.000) 31.997 0.860 ( 41.866 0.000 0.000) 41.866 1.565 ( -7.142 0.000 0.000) 7.142 1.603 ( 5.427 0.000 0.000) 5.427 1.617 ( -3.383 0.000 0.000) 3.383 2.147 ( -0.678 0.000 0.000) 0.678 2.222 ( 6.701 0.000 0.000) 6.701 2.237 ( 2.462 0.000 0.000) 2.462 2.277 ( -4.237 0.000 0.000) 4.237 2.311 ( -1.650 0.000 0.000) 1.650 2.480 ( -0.825 0.000 0.000) 0.825 2.483 ( 4.917 0.000 0.000) 4.917 2.898 ( -3.132 0.000 0.000) 3.132 2.951 ( -4.718 0.000 0.000) 4.718 3.085 ( -10.569 0.000 0.000) 10.569 3.130 ( 1.863 0.000 0.000) 1.863 3.252 ( 0.112 0.000 0.000) 0.112 3.329 ( 8.122 0.000 0.000) 8.122 3.676 ( 3.069 0.000 0.000) 3.069 3.760 ( 3.689 0.000 0.000) 3.689 3.830 ( 3.161 0.000 0.000) 3.161 3.917 ( 1.083 0.000 0.000) 1.083 4.482 ( -2.108 0.000 0.000) 2.108 4.734 ( -7.512 0.000 0.000) 7.512 4.835 ( 1.014 0.000 0.000) 1.014 4.893 ( -13.258 0.000 0.000) 13.258 4.926 ( -3.081 0.000 0.000) 3.081 5.232 ( 5.395 0.000 0.000) 5.395 5.265 ( 2.811 0.000 0.000) 2.811 5.294 ( 6.415 0.000 0.000) 6.415 5.454 ( -0.607 0.000 0.000) 0.607 5.499 ( 6.915 0.000 0.000) 6.915 5.765 ( 0.725 0.000 0.000) 0.725 5.830 ( 4.460 0.000 0.000) 4.460 6.085 ( -2.000 0.000 0.000) 2.000 6.223 ( 1.538 0.000 0.000) 1.538 6.282 ( -1.668 0.000 0.000) 1.668 6.355 ( -0.944 0.000 0.000) 0.944 6.399 ( -1.314 0.000 0.000) 1.314 7.329 ( -2.481 0.000 0.000) 2.481 7.361 ( -3.409 0.000 0.000) 3.409 7.547 ( 3.632 0.000 0.000) 3.632 7.558 ( 3.974 0.000 0.000) 3.974 7.891 ( -1.630 0.000 0.000) 1.630 7.927 ( -6.108 0.000 0.000) 6.108 8.101 ( 1.472 0.000 0.000) 1.472 8.129 ( 5.505 0.000 0.000) 5.505 8.507 ( -5.826 0.000 0.000) 5.826 8.611 ( -2.406 0.000 0.000) 2.406 9.039 ( 3.145 0.000 0.000) 3.145 9.184 ( 1.433 0.000 0.000) 1.433 9.206 ( -1.696 0.000 0.000) 1.696 9.478 ( 3.483 0.000 0.000) 3.483 9.560 ( -2.578 0.000 0.000) 2.578 9.810 ( -2.369 0.000 0.000) 2.369 10.146 ( 1.394 0.000 0.000) 1.394 10.370 ( -1.939 0.000 0.000) 1.939 10.938 ( -1.931 0.000 0.000) 1.931 11.083 ( -4.392 0.000 0.000) 4.392 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.33 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 18.187 0.000 0.000) 18.187 1.244 ( 25.084 0.000 0.000) 25.084 1.401 ( -6.878 0.000 0.000) 6.878 1.587 ( 2.085 0.000 0.000) 2.085 1.628 ( 29.952 0.000 0.000) 29.952 1.710 ( 3.410 0.000 0.000) 3.410 2.074 ( -4.831 0.000 0.000) 4.831 2.168 ( -5.759 0.000 0.000) 5.759 2.195 ( -4.289 0.000 0.000) 4.289 2.355 ( 5.561 0.000 0.000) 5.561 2.406 ( 8.573 0.000 0.000) 8.573 2.485 ( 1.943 0.000 0.000) 1.943 2.590 ( 5.788 0.000 0.000) 5.788 2.789 ( -8.096 0.000 0.000) 8.096 2.821 ( -15.952 0.000 0.000) 15.952 2.836 ( -6.116 0.000 0.000) 6.116 3.157 ( 2.555 0.000 0.000) 2.555 3.315 ( 3.404 0.000 0.000) 3.404 3.580 ( 13.226 0.000 0.000) 13.226 3.732 ( -1.833 0.000 0.000) 1.833 3.748 ( 1.994 0.000 0.000) 1.994 3.883 ( 1.629 0.000 0.000) 1.629 3.957 ( 3.421 0.000 0.000) 3.421 4.361 ( -10.259 0.000 0.000) 10.259 4.610 ( -5.075 0.000 0.000) 5.075 4.634 ( -11.221 0.000 0.000) 11.221 4.854 ( 0.647 0.000 0.000) 0.647 4.877 ( -1.562 0.000 0.000) 1.562 5.329 ( 3.377 0.000 0.000) 3.377 5.340 ( 4.930 0.000 0.000) 4.930 5.388 ( 2.976 0.000 0.000) 2.976 5.434 ( -1.513 0.000 0.000) 1.513 5.652 ( 7.414 0.000 0.000) 7.414 5.780 ( 0.506 0.000 0.000) 0.506 5.951 ( 6.945 0.000 0.000) 6.945 6.063 ( -0.027 0.000 0.000) 0.027 6.235 ( -0.656 0.000 0.000) 0.656 6.237 ( -2.588 0.000 0.000) 2.588 6.331 ( -1.132 0.000 0.000) 1.132 6.361 ( -2.278 0.000 0.000) 2.278 7.290 ( -1.209 0.000 0.000) 1.209 7.306 ( -1.997 0.000 0.000) 1.997 7.614 ( 2.712 0.000 0.000) 2.712 7.624 ( 2.361 0.000 0.000) 2.361 7.809 ( -4.708 0.000 0.000) 4.708 7.833 ( -3.862 0.000 0.000) 3.862 8.154 ( 3.649 0.000 0.000) 3.649 8.239 ( 4.111 0.000 0.000) 4.111 8.414 ( -2.219 0.000 0.000) 2.219 8.548 ( -3.849 0.000 0.000) 3.849 9.065 ( 0.537 0.000 0.000) 0.537 9.155 ( -3.213 0.000 0.000) 3.213 9.263 ( 5.548 0.000 0.000) 5.548 9.485 ( -4.783 0.000 0.000) 4.783 9.562 ( 4.729 0.000 0.000) 4.729 9.746 ( -3.917 0.000 0.000) 3.917 10.187 ( 2.670 0.000 0.000) 2.670 10.317 ( -3.215 0.000 0.000) 3.215 10.902 ( -1.157 0.000 0.000) 1.157 10.982 ( -4.994 0.000 0.000) 4.994 ======================= Grid point 3 (4/84) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -9.091 0.000 0.000) 9.091 1.245 ( 9.091 0.000 0.000) 9.091 1.633 ( -12.693 0.000 0.000) 12.693 1.633 ( 12.693 0.000 0.000) 12.693 1.728 ( -10.226 0.000 0.000) 10.226 1.728 ( 10.226 0.000 0.000) 10.226 2.121 ( -1.931 0.000 0.000) 1.931 2.121 ( 1.931 0.000 0.000) 1.931 2.319 ( -17.195 0.000 0.000) 17.195 2.319 ( 17.195 0.000 0.000) 17.195 2.531 ( -5.341 0.000 0.000) 5.341 2.531 ( 5.341 0.000 0.000) 5.341 2.599 ( -10.227 0.000 0.000) 10.227 2.599 ( 10.227 0.000 0.000) 10.227 2.712 ( -6.334 0.000 0.000) 6.334 2.712 ( 6.334 0.000 0.000) 6.334 3.267 ( -7.242 0.000 0.000) 7.242 3.267 ( 7.242 0.000 0.000) 7.242 3.698 ( -0.162 0.000 0.000) 0.162 3.698 ( 0.162 0.000 0.000) 0.162 3.864 ( -5.484 0.000 0.000) 5.484 3.864 ( 5.484 0.000 0.000) 5.484 4.114 ( -12.926 0.000 0.000) 12.926 4.114 ( 12.926 0.000 0.000) 12.926 4.529 ( -1.264 0.000 0.000) 1.264 4.529 ( 1.264 0.000 0.000) 1.264 4.861 ( -0.316 0.000 0.000) 0.316 4.861 ( 0.316 0.000 0.000) 0.316 5.391 ( -2.736 0.000 0.000) 2.736 5.391 ( 2.736 0.000 0.000) 2.736 5.406 ( -1.274 0.000 0.000) 1.274 5.406 ( 1.274 0.000 0.000) 1.274 5.761 ( -3.086 0.000 0.000) 3.086 5.761 ( 3.086 0.000 0.000) 3.086 6.057 ( -2.265 0.000 0.000) 2.265 6.057 ( 2.265 0.000 0.000) 2.265 6.208 ( -0.628 0.000 0.000) 0.628 6.208 ( 0.628 0.000 0.000) 0.628 6.325 ( -0.830 0.000 0.000) 0.830 6.325 ( 0.830 0.000 0.000) 0.830 7.282 ( -0.395 0.000 0.000) 0.395 7.282 ( 0.395 0.000 0.000) 0.395 7.645 ( -0.290 0.000 0.000) 0.290 7.645 ( 0.290 0.000 0.000) 0.290 7.772 ( -1.173 0.000 0.000) 1.173 7.772 ( 1.173 0.000 0.000) 1.173 8.231 ( -3.534 0.000 0.000) 3.534 8.231 ( 3.534 0.000 0.000) 3.534 8.459 ( -4.883 0.000 0.000) 4.883 8.459 ( 4.883 0.000 0.000) 4.883 9.093 ( -2.517 0.000 0.000) 2.517 9.093 ( 2.517 0.000 0.000) 2.517 9.378 ( -5.770 0.000 0.000) 5.770 9.378 ( 5.770 0.000 0.000) 5.770 9.658 ( -4.782 0.000 0.000) 4.782 9.658 ( 4.782 0.000 0.000) 4.782 10.249 ( -3.401 0.000 0.000) 3.401 10.249 ( 3.401 0.000 0.000) 3.401 10.909 ( -2.060 0.000 0.000) 2.060 10.909 ( 2.060 0.000 0.000) 2.060 ======================= Grid point 7 (5/84) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 29.522 0.000) 29.522 0.636 ( 0.000 31.294 0.000) 31.294 1.074 ( 0.000 52.458 0.000) 52.458 1.707 ( 0.000 14.003 0.000) 14.003 1.710 ( 0.000 5.902 0.000) 5.902 1.759 ( 0.000 9.762 0.000) 9.762 2.070 ( 0.000 -5.443 0.000) 5.443 2.164 ( 0.000 3.238 0.000) 3.238 2.200 ( 0.000 4.929 0.000) 4.929 2.472 ( 0.000 11.530 0.000) 11.530 2.597 ( 0.000 23.598 0.000) 23.598 2.708 ( 0.000 15.621 0.000) 15.621 2.709 ( 0.000 7.558 0.000) 7.558 2.943 ( 0.000 1.441 0.000) 1.441 3.035 ( 0.000 7.933 0.000) 7.933 3.082 ( 0.000 7.590 0.000) 7.590 3.258 ( 0.000 12.454 0.000) 12.454 3.261 ( 0.000 7.251 0.000) 7.251 3.325 ( 0.000 -1.117 0.000) 1.117 3.584 ( 0.000 3.131 0.000) 3.131 3.709 ( 0.000 0.270 0.000) 0.270 3.798 ( 0.000 0.454 0.000) 0.454 3.948 ( 0.000 4.322 0.000) 4.322 4.420 ( 0.000 -4.067 0.000) 4.067 4.784 ( 0.000 -4.622 0.000) 4.622 4.992 ( 0.000 -8.846 0.000) 8.846 5.089 ( 0.000 -1.355 0.000) 1.355 5.096 ( 0.000 -4.331 0.000) 4.331 5.270 ( 0.000 11.055 0.000) 11.055 5.297 ( 0.000 6.097 0.000) 6.097 5.455 ( 0.000 -1.165 0.000) 1.165 5.709 ( 0.000 1.322 0.000) 1.322 5.713 ( 0.000 5.885 0.000) 5.885 5.787 ( 0.000 1.946 0.000) 1.946 5.808 ( 0.000 38.789 0.000) 38.789 6.066 ( 0.000 -3.418 0.000) 3.418 6.145 ( 0.000 -4.649 0.000) 4.649 6.523 ( 0.000 13.291 0.000) 13.291 6.560 ( 0.000 13.465 0.000) 13.465 7.283 ( 0.000 1.303 0.000) 1.303 7.457 ( 0.000 -3.808 0.000) 3.808 7.458 ( 0.000 3.874 0.000) 3.874 7.475 ( 0.000 -2.743 0.000) 2.743 7.724 ( 0.000 3.010 0.000) 3.010 7.984 ( 0.000 -4.839 0.000) 4.839 8.037 ( 0.000 -5.068 0.000) 5.068 8.048 ( 0.000 1.824 0.000) 1.824 8.089 ( 0.000 0.422 0.000) 0.422 8.517 ( 0.000 -6.355 0.000) 6.355 8.610 ( 0.000 -2.676 0.000) 2.676 8.957 ( 0.000 -2.411 0.000) 2.411 9.169 ( 0.000 -4.836 0.000) 4.836 9.174 ( 0.000 -0.766 0.000) 0.766 9.405 ( 0.000 -3.256 0.000) 3.256 9.718 ( 0.000 -4.057 0.000) 4.057 9.793 ( 0.000 0.117 0.000) 0.117 10.122 ( 0.000 -0.952 0.000) 0.952 10.373 ( 0.000 -1.615 0.000) 1.615 10.909 ( 0.000 -8.823 0.000) 8.823 10.932 ( 0.000 -2.742 0.000) 2.742 ======================= Grid point 8 (6/84) ======================= q-point: ( 0.17 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 15.599 18.440 0.000) 24.153 0.785 ( 15.478 20.826 0.000) 25.948 1.488 ( 29.502 40.141 0.000) 49.817 1.616 ( -6.794 6.918 0.000) 9.697 1.692 ( -4.459 8.976 0.000) 10.022 1.768 ( 4.816 12.889 0.000) 13.759 2.128 ( 2.285 -4.240 0.000) 4.816 2.198 ( 1.441 4.547 0.000) 4.770 2.241 ( 6.356 3.044 0.000) 7.047 2.465 ( -1.010 10.983 0.000) 11.030 2.515 ( -8.548 17.987 0.000) 19.915 2.648 ( -5.000 10.704 0.000) 11.814 2.730 ( 1.910 14.539 0.000) 14.663 2.873 ( -6.245 0.460 0.000) 6.262 3.039 ( -3.770 8.450 0.000) 9.253 3.174 ( 12.603 1.597 0.000) 12.703 3.233 ( -4.843 11.590 0.000) 12.562 3.271 ( 1.819 13.549 0.000) 13.671 3.292 ( 2.903 4.633 0.000) 5.468 3.689 ( 2.808 1.975 0.000) 3.433 3.737 ( 4.444 -1.294 0.000) 4.629 3.828 ( 2.553 -0.082 0.000) 2.554 3.959 ( 0.903 4.268 0.000) 4.362 4.393 ( -3.308 -4.690 0.000) 5.740 4.704 ( -6.169 -2.777 0.000) 6.765 4.846 ( -10.679 -3.934 0.000) 11.380 5.123 ( 2.512 -1.337 0.000) 2.846 5.173 ( 4.123 -8.243 0.000) 9.217 5.219 ( -2.368 10.834 0.000) 11.090 5.359 ( 3.924 6.546 0.000) 7.632 5.451 ( -2.050 5.017 0.000) 5.420 5.571 ( -7.863 12.897 0.000) 15.105 5.755 ( 2.086 -0.511 0.000) 2.147 5.829 ( 3.373 1.052 0.000) 3.533 5.832 ( 1.727 30.013 0.000) 30.063 6.063 ( 0.447 0.770 0.000) 0.890 6.145 ( -0.382 -4.594 0.000) 4.610 6.532 ( 0.842 13.775 0.000) 13.801 6.533 ( -3.122 14.769 0.000) 15.095 7.011 ( -29.722 30.875 0.000) 42.856 7.351 ( -4.800 -1.627 0.000) 5.068 7.365 ( -9.331 3.629 0.000) 10.012 7.523 ( 2.137 -1.972 0.000) 2.908 7.555 ( 3.536 -0.035 0.000) 3.536 7.891 ( -5.517 -3.522 0.000) 6.546 7.956 ( -5.298 3.785 0.000) 6.511 8.084 ( 3.782 -0.507 0.000) 3.816 8.149 ( 6.844 2.138 0.000) 7.171 8.466 ( -4.068 -3.938 0.000) 5.662 8.590 ( -1.878 -2.123 0.000) 2.834 9.007 ( 3.413 -2.913 0.000) 4.487 9.165 ( -1.038 -4.178 0.000) 4.305 9.167 ( 0.466 -1.565 0.000) 1.633 9.441 ( 3.219 -3.430 0.000) 4.704 9.619 ( -6.804 3.463 0.000) 7.634 9.738 ( -2.524 -6.127 0.000) 6.626 10.134 ( 1.214 -1.122 0.000) 1.654 10.343 ( -2.176 -2.200 0.000) 3.094 10.908 ( -2.132 -2.915 0.000) 3.612 10.956 ( 0.152 -9.823 0.000) 9.824 ======================= Grid point 9 (7/84) ======================= q-point: ( 0.33 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 15.763 12.785 0.000) 20.296 1.152 ( 25.560 0.883 0.000) 25.575 1.496 ( -4.745 8.272 0.000) 9.536 1.630 ( -0.152 6.267 0.000) 6.268 1.861 ( 1.533 11.621 0.000) 11.722 1.940 ( 0.510 13.236 0.000) 13.246 2.130 ( 12.767 12.822 0.000) 18.094 2.293 ( -9.337 7.214 0.000) 11.799 2.305 ( 3.349 8.565 0.000) 9.197 2.376 ( 5.016 2.505 0.000) 5.607 2.480 ( 5.239 7.015 0.000) 8.755 2.564 ( -0.630 8.906 0.000) 8.928 2.714 ( -9.702 2.383 0.000) 9.991 2.791 ( 4.053 15.964 0.000) 16.471 2.957 ( -4.307 11.921 0.000) 12.675 3.090 ( -10.021 16.757 0.000) 19.525 3.283 ( 2.575 10.448 0.000) 10.760 3.391 ( 4.189 7.752 0.000) 8.812 3.513 ( 16.497 0.571 0.000) 16.506 3.735 ( 3.587 -0.883 0.000) 3.694 3.766 ( -1.578 3.604 0.000) 3.934 3.868 ( 0.710 -0.935 0.000) 1.174 3.979 ( 0.962 3.172 0.000) 3.314 4.257 ( -10.238 -5.474 0.000) 11.610 4.601 ( -4.104 -0.659 0.000) 4.156 4.630 ( -9.381 0.007 0.000) 9.381 5.162 ( 1.215 10.674 0.000) 10.743 5.209 ( 1.670 0.255 0.000) 1.690 5.233 ( 1.650 -9.112 0.000) 9.260 5.315 ( -7.452 24.085 0.000) 25.211 5.442 ( 4.169 6.061 0.000) 7.357 5.525 ( 0.153 3.850 0.000) 3.853 5.796 ( 2.094 0.341 0.000) 2.121 5.851 ( 0.032 12.635 0.000) 12.635 5.923 ( 5.753 -2.591 0.000) 6.309 6.095 ( 0.522 -2.395 0.000) 2.451 6.129 ( 0.952 8.198 0.000) 8.253 6.404 ( -9.485 21.703 0.000) 23.685 6.550 ( 0.727 14.516 0.000) 14.534 6.633 ( -7.607 19.930 0.000) 21.332 7.275 ( -2.341 -1.714 0.000) 2.902 7.277 ( -2.511 -2.901 0.000) 3.837 7.560 ( 0.793 -4.903 0.000) 4.967 7.577 ( -1.030 -4.698 0.000) 4.809 7.820 ( -1.122 1.221 0.000) 1.659 7.870 ( -3.370 2.913 0.000) 4.455 8.173 ( 4.887 1.881 0.000) 5.236 8.288 ( 5.580 4.299 0.000) 7.044 8.391 ( -2.360 -2.218 0.000) 3.239 8.539 ( -3.306 -0.984 0.000) 3.449 9.043 ( 0.744 -1.939 0.000) 2.077 9.125 ( -2.775 -2.970 0.000) 4.065 9.232 ( 5.612 -3.099 0.000) 6.411 9.491 ( -6.464 -0.132 0.000) 6.466 9.518 ( 4.244 -4.088 0.000) 5.893 9.680 ( -3.378 -5.890 0.000) 6.790 10.170 ( 2.389 -1.571 0.000) 2.859 10.290 ( -3.099 -2.382 0.000) 3.908 10.866 ( -1.551 -3.429 0.000) 3.764 10.912 ( -3.279 -6.297 0.000) 7.100 ======================= Grid point 10 (8/84) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -6.647 10.020 0.000) 12.025 1.346 ( 6.647 10.020 0.000) 12.025 1.645 ( -13.830 1.075 0.000) 13.871 1.645 ( 13.830 1.075 0.000) 13.871 1.768 ( -5.574 5.171 0.000) 7.603 1.768 ( 5.574 5.171 0.000) 7.603 2.251 ( -4.051 9.602 0.000) 10.421 2.251 ( 4.051 9.602 0.000) 10.421 2.409 ( -6.566 5.997 0.000) 8.892 2.409 ( 6.566 5.997 0.000) 8.892 2.533 ( -4.276 2.786 0.000) 5.104 2.533 ( 4.276 2.786 0.000) 5.104 2.803 ( -16.169 18.797 0.000) 24.794 2.803 ( 16.169 18.797 0.000) 24.794 2.882 ( -5.430 14.529 0.000) 15.510 2.882 ( 5.430 14.529 0.000) 15.510 3.367 ( -5.132 9.455 0.000) 10.758 3.367 ( 5.132 9.455 0.000) 10.758 3.733 ( -3.455 3.761 0.000) 5.107 3.733 ( 3.455 3.761 0.000) 5.107 3.841 ( -4.778 -2.091 0.000) 5.216 3.841 ( 4.778 -2.091 0.000) 5.216 4.039 ( -8.688 -2.345 0.000) 8.999 4.039 ( 8.688 -2.345 0.000) 8.999 4.541 ( -0.710 1.239 0.000) 1.427 4.541 ( 0.710 1.239 0.000) 1.427 5.200 ( -3.124 17.277 0.000) 17.557 5.200 ( 3.124 17.277 0.000) 17.557 5.248 ( -1.333 -3.815 0.000) 4.042 5.248 ( 1.333 -3.815 0.000) 4.042 5.509 ( -2.169 5.224 0.000) 5.656 5.509 ( 2.169 5.224 0.000) 5.656 5.835 ( -1.567 3.087 0.000) 3.462 5.835 ( 1.567 3.087 0.000) 3.462 6.033 ( -4.818 -6.144 0.000) 7.808 6.033 ( 4.818 -6.144 0.000) 7.808 6.230 ( -7.273 18.573 0.000) 19.947 6.230 ( 7.273 18.573 0.000) 19.947 6.564 ( -1.204 14.911 0.000) 14.959 6.564 ( 1.204 14.911 0.000) 14.959 7.252 ( -0.001 -2.907 0.000) 2.907 7.252 ( 0.001 -2.907 0.000) 2.907 7.560 ( -0.014 -6.901 0.000) 6.901 7.560 ( 0.014 -6.901 0.000) 6.901 7.826 ( -1.215 3.884 0.000) 4.070 7.826 ( 1.215 3.884 0.000) 4.070 8.269 ( -4.433 2.853 0.000) 5.272 8.269 ( 4.433 2.853 0.000) 5.272 8.454 ( -5.293 -0.249 0.000) 5.298 8.454 ( 5.293 -0.249 0.000) 5.298 9.070 ( -2.255 -2.102 0.000) 3.082 9.070 ( 2.255 -2.102 0.000) 3.082 9.359 ( -6.715 -2.295 0.000) 7.097 9.359 ( 6.715 -2.295 0.000) 7.097 9.604 ( -4.232 -4.952 0.000) 6.514 9.604 ( 4.232 -4.952 0.000) 6.514 10.226 ( -3.164 -2.075 0.000) 3.784 10.226 ( 3.164 -2.075 0.000) 3.784 10.862 ( -1.317 -4.368 0.000) 4.563 10.862 ( 1.317 -4.368 0.000) 4.563 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 28.092 0.000) 28.092 1.246 ( 0.000 27.952 0.000) 27.952 1.870 ( 0.000 9.578 0.000) 9.578 1.998 ( 0.000 12.384 0.000) 12.384 2.014 ( 0.000 13.576 0.000) 13.576 2.069 ( 0.000 5.538 0.000) 5.538 2.099 ( 0.000 44.588 0.000) 44.588 2.295 ( 0.000 9.413 0.000) 9.413 2.354 ( 0.000 13.425 0.000) 13.425 2.689 ( 0.000 7.105 0.000) 7.105 2.894 ( 0.000 9.801 0.000) 9.801 2.901 ( 0.000 6.442 0.000) 6.442 2.981 ( 0.000 2.025 0.000) 2.025 3.025 ( 0.000 8.376 0.000) 8.376 3.284 ( 0.000 11.610 0.000) 11.610 3.396 ( 0.000 15.042 0.000) 15.042 3.396 ( 0.000 24.630 0.000) 24.630 3.417 ( 0.000 7.111 0.000) 7.111 3.614 ( 0.000 21.619 0.000) 21.619 3.745 ( 0.000 12.479 0.000) 12.479 3.755 ( 0.000 5.419 0.000) 5.419 3.813 ( 0.000 0.930 0.000) 0.930 4.072 ( 0.000 7.329 0.000) 7.329 4.360 ( 0.000 -1.703 0.000) 1.703 4.662 ( 0.000 -6.980 0.000) 6.980 4.846 ( 0.000 -4.770 0.000) 4.770 4.983 ( 0.000 -6.148 0.000) 6.148 5.030 ( 0.000 -2.995 0.000) 2.995 5.417 ( 0.000 -2.332 0.000) 2.332 5.454 ( 0.000 8.541 0.000) 8.541 5.487 ( 0.000 10.888 0.000) 10.888 5.677 ( 0.000 -3.346 0.000) 3.346 5.813 ( 0.000 3.733 0.000) 3.733 5.905 ( 0.000 8.000 0.000) 8.000 6.000 ( 0.000 -2.823 0.000) 2.823 6.017 ( 0.000 -6.774 0.000) 6.774 6.644 ( 0.000 35.280 0.000) 35.280 6.823 ( 0.000 14.703 0.000) 14.703 6.880 ( 0.000 16.011 0.000) 16.011 7.305 ( 0.000 0.483 0.000) 0.483 7.352 ( 0.000 -6.233 0.000) 6.233 7.378 ( 0.000 -6.645 0.000) 6.645 7.566 ( 0.000 6.975 0.000) 6.975 7.794 ( 0.000 3.040 0.000) 3.040 7.845 ( 0.000 -8.453 0.000) 8.453 7.890 ( 0.000 -9.193 0.000) 9.193 8.093 ( 0.000 1.049 0.000) 1.049 8.126 ( 0.000 3.925 0.000) 3.925 8.365 ( 0.000 -6.249 0.000) 6.249 8.528 ( 0.000 -5.404 0.000) 5.404 8.901 ( 0.000 -2.676 0.000) 2.676 9.051 ( 0.000 -6.113 0.000) 6.113 9.155 ( 0.000 -0.897 0.000) 0.897 9.315 ( 0.000 -5.342 0.000) 5.342 9.617 ( 0.000 -5.208 0.000) 5.208 9.783 ( 0.000 -1.375 0.000) 1.375 10.102 ( 0.000 -0.744 0.000) 0.744 10.327 ( 0.000 -2.708 0.000) 2.708 10.695 ( 0.000 -11.290 0.000) 11.290 10.853 ( 0.000 -4.923 0.000) 4.923 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.17 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.093 27.339 0.000) 27.339 1.271 ( 7.701 25.485 0.000) 26.623 1.816 ( -4.207 11.786 0.000) 12.514 1.930 ( -5.853 12.545 0.000) 13.843 2.045 ( 3.637 12.964 0.000) 13.465 2.126 ( 4.385 4.896 0.000) 6.573 2.227 ( 3.927 19.002 0.000) 19.404 2.356 ( 4.681 7.831 0.000) 9.123 2.437 ( 12.926 30.113 0.000) 32.769 2.650 ( -2.902 6.735 0.000) 7.333 2.707 ( -17.940 0.905 0.000) 17.962 2.847 ( -3.592 8.960 0.000) 9.653 2.979 ( 6.365 9.621 0.000) 11.536 3.023 ( -6.331 9.634 0.000) 11.528 3.263 ( 0.187 12.139 0.000) 12.140 3.416 ( 1.989 20.256 0.000) 20.354 3.470 ( 4.215 10.189 0.000) 11.026 3.491 ( 4.815 15.604 0.000) 16.330 3.648 ( 3.456 21.639 0.000) 21.913 3.728 ( -0.982 2.223 0.000) 2.430 3.819 ( 5.224 11.392 0.000) 12.533 3.829 ( 1.261 0.475 0.000) 1.347 4.084 ( 1.012 7.763 0.000) 7.828 4.334 ( -3.138 -0.592 0.000) 3.193 4.629 ( -2.610 -4.456 0.000) 5.165 4.776 ( -5.912 -1.918 0.000) 6.215 5.011 ( 2.167 -7.340 0.000) 7.654 5.033 ( 0.289 -4.289 0.000) 4.299 5.448 ( 3.004 -2.176 0.000) 3.709 5.454 ( 0.426 10.717 0.000) 10.725 5.517 ( 2.626 8.734 0.000) 9.120 5.703 ( 2.456 -3.474 0.000) 4.254 5.761 ( -4.534 5.997 0.000) 7.518 5.916 ( 0.685 6.642 0.000) 6.677 5.960 ( -3.271 -3.416 0.000) 4.730 6.007 ( -1.394 -5.899 0.000) 6.061 6.662 ( 1.741 34.305 0.000) 34.349 6.829 ( 0.509 13.991 0.000) 14.000 6.858 ( -1.931 15.023 0.000) 15.147 7.250 ( -3.982 0.446 0.000) 4.007 7.281 ( -5.122 -4.951 0.000) 7.124 7.395 ( -2.153 -3.019 0.000) 3.708 7.543 ( -15.386 3.371 0.000) 15.751 7.559 ( -3.756 0.126 0.000) 3.758 7.806 ( 0.510 -3.465 0.000) 3.502 7.955 ( 0.296 -1.943 0.000) 1.966 8.141 ( 3.056 5.185 0.000) 6.018 8.198 ( 7.385 0.489 0.000) 7.401 8.370 ( 0.432 -3.678 0.000) 3.704 8.525 ( -0.378 -4.243 0.000) 4.260 8.941 ( 3.552 -2.837 0.000) 4.546 9.055 ( 0.019 -5.959 0.000) 5.959 9.129 ( -1.601 -1.930 0.000) 2.507 9.350 ( 2.873 -5.257 0.000) 5.991 9.594 ( -3.348 -7.024 0.000) 7.781 9.657 ( -8.905 0.032 0.000) 8.905 10.110 ( 0.769 -1.010 0.000) 1.270 10.288 ( -2.822 -3.165 0.000) 4.241 10.742 ( 2.530 -10.570 0.000) 10.868 10.825 ( -2.469 -5.023 0.000) 5.597 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.33 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 14.177 16.261 0.000) 21.573 1.465 ( 10.514 20.273 0.000) 22.837 1.734 ( -3.830 13.838 0.000) 14.358 1.840 ( -2.017 12.903 0.000) 13.060 2.069 ( -6.889 7.290 0.000) 10.030 2.097 ( -7.871 8.724 0.000) 11.750 2.315 ( 7.555 5.452 0.000) 9.317 2.387 ( -5.163 4.077 0.000) 6.578 2.465 ( 2.630 6.114 0.000) 6.656 2.579 ( -1.155 3.630 0.000) 3.809 2.672 ( -3.539 16.605 0.000) 16.978 2.836 ( -11.130 6.869 0.000) 13.079 2.908 ( 17.249 25.846 0.000) 31.073 3.119 ( 6.773 13.288 0.000) 14.914 3.268 ( -0.557 16.436 0.000) 16.446 3.446 ( -5.137 17.175 0.000) 17.927 3.477 ( 4.138 11.415 0.000) 12.142 3.610 ( 3.158 10.441 0.000) 10.908 3.715 ( 1.048 -1.095 0.000) 1.516 3.750 ( 6.265 16.495 0.000) 17.645 3.845 ( 0.161 1.498 0.000) 1.507 3.912 ( 3.023 12.758 0.000) 13.111 4.101 ( 0.390 9.099 0.000) 9.108 4.223 ( -7.394 3.681 0.000) 8.260 4.588 ( -1.245 -0.505 0.000) 1.343 4.651 ( -5.642 2.522 0.000) 6.180 5.044 ( 0.881 -6.440 0.000) 6.500 5.051 ( 1.479 -8.303 0.000) 8.433 5.479 ( 2.285 12.013 0.000) 12.229 5.524 ( 4.163 -0.857 0.000) 4.250 5.577 ( 2.804 6.399 0.000) 6.986 5.656 ( -5.530 9.268 0.000) 10.792 5.761 ( 2.940 -3.785 0.000) 4.793 5.886 ( -3.883 -3.580 0.000) 5.281 5.926 ( 0.421 3.775 0.000) 3.798 5.969 ( -2.084 -5.158 0.000) 5.563 6.713 ( 3.677 31.497 0.000) 31.711 6.822 ( -1.108 13.888 0.000) 13.932 6.837 ( 0.058 13.697 0.000) 13.698 7.087 ( -14.915 21.181 0.000) 25.906 7.197 ( -2.738 -4.204 0.000) 5.017 7.220 ( -4.309 -2.881 0.000) 5.183 7.430 ( -2.302 -7.653 0.000) 7.992 7.443 ( -5.420 -7.863 0.000) 9.550 7.867 ( 3.654 3.711 0.000) 5.208 7.938 ( -0.875 4.113 0.000) 4.205 8.228 ( 4.581 3.296 0.000) 5.643 8.313 ( 2.627 -4.117 0.000) 4.884 8.393 ( 2.746 3.623 0.000) 4.546 8.509 ( -1.375 -1.758 0.000) 2.231 9.001 ( 1.451 -1.778 0.000) 2.295 9.043 ( -1.146 -4.649 0.000) 4.788 9.145 ( 4.137 -4.820 0.000) 6.351 9.415 ( 3.632 -5.518 0.000) 6.607 9.430 ( -9.245 -6.870 0.000) 11.518 9.568 ( -3.269 -3.442 0.000) 4.747 10.134 ( 1.656 -1.746 0.000) 2.406 10.231 ( -2.915 -3.262 0.000) 4.375 10.759 ( -0.519 -8.177 0.000) 8.194 10.773 ( -2.281 -5.421 0.000) 5.882 ======================= Grid point 17 (12/84) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -1.286 15.623 0.000) 15.676 1.619 ( 1.286 15.623 0.000) 15.676 1.733 ( -14.737 7.069 0.000) 16.344 1.733 ( 14.737 7.069 0.000) 16.344 1.922 ( -6.664 10.787 0.000) 12.680 1.922 ( 6.664 10.787 0.000) 12.680 2.416 ( -1.179 5.488 0.000) 5.613 2.416 ( 1.179 5.488 0.000) 5.613 2.538 ( -4.138 6.630 0.000) 7.815 2.538 ( 4.138 6.630 0.000) 7.815 2.635 ( -6.541 7.346 0.000) 9.836 2.635 ( 6.541 7.346 0.000) 9.836 3.219 ( -5.512 17.157 0.000) 18.020 3.219 ( 5.512 17.157 0.000) 18.020 3.262 ( -12.623 23.170 0.000) 26.386 3.262 ( 12.623 23.170 0.000) 26.386 3.570 ( -4.689 6.951 0.000) 8.385 3.570 ( 4.689 6.951 0.000) 8.385 3.784 ( -3.333 -3.332 0.000) 4.713 3.784 ( 3.333 -3.332 0.000) 4.713 3.905 ( -4.555 15.527 0.000) 16.182 3.905 ( 4.555 15.527 0.000) 16.182 4.110 ( -2.071 9.752 0.000) 9.970 4.110 ( 2.071 9.752 0.000) 9.970 4.583 ( -1.140 3.024 0.000) 3.232 4.583 ( 1.140 3.024 0.000) 3.232 5.061 ( -0.456 -8.098 0.000) 8.111 5.061 ( 0.456 -8.098 0.000) 8.111 5.545 ( -3.968 11.581 0.000) 12.242 5.545 ( 3.968 11.581 0.000) 12.242 5.598 ( -1.024 2.423 0.000) 2.631 5.598 ( 1.024 2.423 0.000) 2.631 5.816 ( -2.933 -3.547 0.000) 4.602 5.816 ( 2.933 -3.547 0.000) 4.602 5.938 ( -0.927 -1.558 0.000) 1.813 5.938 ( 0.927 -1.558 0.000) 1.813 6.823 ( -0.267 19.698 0.000) 19.699 6.823 ( 0.267 19.698 0.000) 19.699 6.835 ( -8.469 21.605 0.000) 23.205 6.835 ( 8.469 21.605 0.000) 23.205 7.178 ( -0.655 -3.469 0.000) 3.530 7.178 ( 0.655 -3.469 0.000) 3.530 7.393 ( -0.404 -9.180 0.000) 9.189 7.393 ( 0.404 -9.180 0.000) 9.189 7.919 ( -1.504 5.615 0.000) 5.813 7.919 ( 1.504 5.615 0.000) 5.813 8.302 ( -2.605 -0.119 0.000) 2.608 8.302 ( 2.605 -0.119 0.000) 2.608 8.464 ( -3.234 1.260 0.000) 3.471 8.464 ( 3.234 1.260 0.000) 3.471 9.018 ( -1.033 -2.728 0.000) 2.917 9.018 ( 1.033 -2.728 0.000) 2.917 9.267 ( -7.293 -6.739 0.000) 9.930 9.267 ( 7.293 -6.739 0.000) 9.930 9.493 ( -4.063 -4.946 0.000) 6.401 9.493 ( 4.063 -4.946 0.000) 6.401 10.175 ( -2.526 -2.658 0.000) 3.666 10.175 ( 2.526 -2.658 0.000) 3.666 10.749 ( -0.099 -6.329 0.000) 6.330 10.749 ( 0.099 -6.329 0.000) 6.330 ======================= Grid point 21 (13/84) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.000 24.831 0.000) 24.831 1.734 ( 0.000 19.749 0.000) 19.749 2.075 ( 0.000 10.317 0.000) 10.317 2.166 ( 0.000 4.249 0.000) 4.249 2.248 ( 0.000 8.345 0.000) 8.345 2.288 ( 0.000 15.441 0.000) 15.441 2.458 ( 0.000 7.812 0.000) 7.812 2.508 ( 0.000 10.438 0.000) 10.438 2.753 ( 0.000 0.815 0.000) 0.815 2.986 ( 0.000 -5.966 0.000) 5.966 3.008 ( 0.000 0.127 0.000) 0.127 3.012 ( 0.000 2.800 0.000) 2.800 3.078 ( 0.000 8.922 0.000) 8.922 3.137 ( 0.000 44.524 0.000) 44.524 3.486 ( 0.000 7.980 0.000) 7.980 3.529 ( 0.000 3.801 0.000) 3.801 3.731 ( 0.000 8.729 0.000) 8.729 3.806 ( 0.000 -3.143 0.000) 3.143 3.909 ( 0.000 24.450 0.000) 24.450 4.001 ( 0.000 7.969 0.000) 7.969 4.048 ( 0.000 24.465 0.000) 24.465 4.085 ( 0.000 23.352 0.000) 23.352 4.217 ( 0.000 6.737 0.000) 6.737 4.394 ( 0.000 8.247 0.000) 8.247 4.530 ( 0.000 -4.824 0.000) 4.824 4.808 ( 0.000 1.096 0.000) 1.096 4.897 ( 0.000 -0.931 0.000) 0.931 5.003 ( 0.000 0.652 0.000) 0.652 5.367 ( 0.000 -2.469 0.000) 2.469 5.593 ( 0.000 -4.802 0.000) 4.802 5.605 ( 0.000 5.365 0.000) 5.365 5.706 ( 0.000 9.903 0.000) 9.903 5.867 ( 0.000 1.822 0.000) 1.822 5.882 ( 0.000 -5.791 0.000) 5.791 5.974 ( 0.000 0.990 0.000) 0.990 6.068 ( 0.000 7.450 0.000) 7.450 7.073 ( 0.000 9.284 0.000) 9.284 7.097 ( 0.000 9.654 0.000) 9.654 7.128 ( 0.000 4.188 0.000) 4.188 7.221 ( 0.000 -5.939 0.000) 5.939 7.247 ( 0.000 -2.094 0.000) 2.094 7.292 ( 0.000 -1.899 0.000) 1.899 7.664 ( 0.000 -8.077 0.000) 8.077 7.685 ( 0.000 -10.289 0.000) 10.289 7.759 ( 0.000 10.454 0.000) 10.454 7.823 ( 0.000 0.118 0.000) 0.118 7.986 ( 0.000 -10.031 0.000) 10.031 8.262 ( 0.000 9.040 0.000) 9.040 8.393 ( 0.000 -7.787 0.000) 7.787 8.394 ( 0.000 7.707 0.000) 7.707 8.869 ( 0.000 -0.024 0.000) 0.024 8.945 ( 0.000 -3.907 0.000) 3.907 9.143 ( 0.000 -0.189 0.000) 0.189 9.200 ( 0.000 -5.618 0.000) 5.618 9.530 ( 0.000 -3.022 0.000) 3.022 9.729 ( 0.000 -4.027 0.000) 4.027 10.099 ( 0.000 0.579 0.000) 0.579 10.268 ( 0.000 -3.020 0.000) 3.020 10.480 ( 0.000 -9.484 0.000) 9.484 10.736 ( 0.000 -6.465 0.000) 6.465 ======================= Grid point 22 (14/84) ======================= q-point: ( 0.17 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -2.184 20.634 0.000) 20.749 1.776 ( 4.270 23.431 0.000) 23.817 2.054 ( -1.984 10.957 0.000) 11.135 2.131 ( -3.020 6.475 0.000) 7.145 2.253 ( 0.213 6.738 0.000) 6.741 2.330 ( 3.943 15.039 0.000) 15.547 2.434 ( -2.431 7.689 0.000) 8.064 2.529 ( 1.126 8.254 0.000) 8.330 2.702 ( -4.029 1.820 0.000) 4.421 2.703 ( -14.298 0.215 0.000) 14.300 2.979 ( -3.145 4.034 0.000) 5.115 3.115 ( -2.660 0.720 0.000) 2.756 3.142 ( 5.588 6.635 0.000) 8.675 3.253 ( 10.497 39.164 0.000) 40.546 3.472 ( 2.788 7.545 0.000) 8.044 3.595 ( 3.958 2.816 0.000) 4.857 3.737 ( -0.140 5.048 0.000) 5.050 3.762 ( -3.585 -3.104 0.000) 4.743 3.871 ( -7.114 9.434 0.000) 11.816 3.880 ( -2.597 20.229 0.000) 20.395 4.124 ( 3.659 20.684 0.000) 21.005 4.191 ( 8.077 23.612 0.000) 24.955 4.276 ( 4.785 12.368 0.000) 13.261 4.415 ( 1.660 10.122 0.000) 10.257 4.540 ( 1.110 -3.421 0.000) 3.597 4.792 ( -1.681 3.464 0.000) 3.851 4.898 ( 0.274 -2.884 0.000) 2.897 4.985 ( -1.613 -0.202 0.000) 1.625 5.393 ( 2.517 -3.036 0.000) 3.944 5.615 ( 2.071 -4.893 0.000) 5.313 5.617 ( 1.081 4.300 0.000) 4.434 5.707 ( 0.022 9.223 0.000) 9.223 5.852 ( -1.503 3.216 0.000) 3.550 5.854 ( -2.620 -5.335 0.000) 5.944 5.960 ( -1.176 1.418 0.000) 1.842 6.063 ( -0.632 7.053 0.000) 7.081 7.028 ( -4.618 4.627 0.000) 6.537 7.038 ( -6.765 -0.506 0.000) 6.783 7.105 ( 0.796 6.543 0.000) 6.591 7.199 ( -0.488 -0.461 0.000) 0.671 7.231 ( -0.949 2.186 0.000) 2.383 7.322 ( 0.302 -3.925 0.000) 3.937 7.529 ( -10.116 -4.150 0.000) 10.934 7.541 ( -10.333 -1.970 0.000) 10.519 7.842 ( 7.835 7.759 0.000) 11.027 7.933 ( 6.162 -0.592 0.000) 6.191 8.082 ( 6.915 -9.506 0.000) 11.755 8.261 ( 0.360 4.826 0.000) 4.840 8.392 ( -0.011 3.653 0.000) 3.653 8.439 ( 3.831 -2.461 0.000) 4.554 8.925 ( 4.706 1.706 0.000) 5.006 8.952 ( 0.589 -3.685 0.000) 3.731 9.100 ( -2.650 -0.723 0.000) 2.747 9.241 ( 2.847 -5.065 0.000) 5.810 9.469 ( -7.285 -4.996 0.000) 8.833 9.636 ( -6.603 -1.972 0.000) 6.891 10.101 ( 0.166 0.253 0.000) 0.302 10.220 ( -3.147 -3.452 0.000) 4.671 10.545 ( 4.078 -8.685 0.000) 9.594 10.710 ( -2.433 -6.268 0.000) 6.724 ======================= Grid point 23 (15/84) ======================= q-point: ( 0.33 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 4.109 17.391 0.000) 17.870 1.879 ( 5.147 18.967 0.000) 19.653 2.005 ( -2.729 12.039 0.000) 12.344 2.089 ( -0.439 10.480 0.000) 10.489 2.160 ( -11.234 2.985 0.000) 11.623 2.329 ( -6.189 12.215 0.000) 13.694 2.452 ( 5.540 9.643 0.000) 11.121 2.476 ( -0.785 3.978 0.000) 4.055 2.619 ( 2.650 8.670 0.000) 9.066 2.638 ( -1.535 2.523 0.000) 2.953 2.887 ( -5.726 6.383 0.000) 8.575 2.962 ( -10.011 5.910 0.000) 11.626 3.286 ( 8.592 4.693 0.000) 9.790 3.489 ( 11.750 28.014 0.000) 30.379 3.568 ( 4.449 12.091 0.000) 12.883 3.640 ( -1.372 -4.068 0.000) 4.293 3.688 ( -3.177 -0.644 0.000) 3.242 3.698 ( -2.275 -4.201 0.000) 4.777 3.771 ( -2.542 12.001 0.000) 12.268 3.812 ( -4.199 13.537 0.000) 14.173 4.216 ( 5.355 20.412 0.000) 21.103 4.324 ( 4.429 24.310 0.000) 24.710 4.367 ( 3.745 17.624 0.000) 18.018 4.427 ( -0.987 14.910 0.000) 14.943 4.586 ( 3.638 0.634 0.000) 3.693 4.743 ( -3.123 6.589 0.000) 7.291 4.909 ( 0.711 -5.343 0.000) 5.390 4.949 ( -1.681 -2.556 0.000) 3.059 5.464 ( 4.463 -4.116 0.000) 6.071 5.627 ( -1.086 -0.572 0.000) 1.227 5.667 ( 2.912 -4.955 0.000) 5.747 5.709 ( 0.732 8.401 0.000) 8.433 5.791 ( -3.349 -4.094 0.000) 5.290 5.809 ( -2.757 5.999 0.000) 6.602 5.949 ( 0.710 3.439 0.000) 3.512 6.039 ( -1.879 6.204 0.000) 6.483 6.919 ( -4.370 -3.794 0.000) 5.787 6.928 ( -4.352 -1.401 0.000) 4.572 7.128 ( 1.407 1.350 0.000) 1.950 7.205 ( -1.879 2.267 0.000) 2.945 7.216 ( 1.615 2.779 0.000) 3.214 7.268 ( -4.588 -6.737 0.000) 8.151 7.346 ( -7.748 4.903 0.000) 9.169 7.372 ( -5.030 5.858 0.000) 7.721 7.986 ( 5.407 7.169 0.000) 8.979 8.025 ( 2.905 3.055 0.000) 4.216 8.221 ( 6.343 -3.199 0.000) 7.104 8.279 ( 1.079 0.074 0.000) 1.081 8.406 ( 2.119 -2.762 0.000) 3.481 8.510 ( 2.213 3.810 0.000) 4.406 8.964 ( 0.549 -2.600 0.000) 2.657 8.990 ( 0.439 0.807 0.000) 0.918 9.077 ( 0.965 -1.361 0.000) 1.669 9.263 ( -10.649 -8.028 0.000) 13.335 9.314 ( 4.817 -3.806 0.000) 6.139 9.531 ( -4.738 -0.837 0.000) 4.811 10.108 ( 0.580 -0.680 0.000) 0.894 10.165 ( -2.346 -3.067 0.000) 3.861 10.599 ( 1.399 -7.365 0.000) 7.497 10.656 ( -2.569 -6.011 0.000) 6.537 ======================= Grid point 24 (16/84) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -12.513 8.903 0.000) 15.356 1.879 ( 12.513 8.903 0.000) 15.356 1.952 ( -2.615 13.770 0.000) 14.016 1.952 ( 2.615 13.770 0.000) 14.016 2.183 ( -7.222 13.362 0.000) 15.189 2.183 ( 7.222 13.362 0.000) 15.189 2.506 ( -1.044 4.037 0.000) 4.170 2.506 ( 1.044 4.037 0.000) 4.170 2.660 ( -1.031 6.525 0.000) 6.606 2.660 ( 1.031 6.525 0.000) 6.606 2.810 ( -1.582 8.800 0.000) 8.942 2.810 ( 1.582 8.800 0.000) 8.942 3.469 ( -9.292 4.043 0.000) 10.133 3.469 ( 9.292 4.043 0.000) 10.133 3.659 ( -2.031 9.652 0.000) 9.863 3.659 ( 2.031 9.652 0.000) 9.863 3.685 ( -1.331 -0.475 0.000) 1.414 3.685 ( 1.331 -0.475 0.000) 1.414 3.724 ( -2.387 12.537 0.000) 12.762 3.724 ( 2.387 12.537 0.000) 12.762 4.321 ( -4.366 21.212 0.000) 21.657 4.321 ( 4.366 21.212 0.000) 21.657 4.410 ( -0.583 18.852 0.000) 18.861 4.410 ( 0.583 18.852 0.000) 18.861 4.669 ( -4.212 5.951 0.000) 7.291 4.669 ( 4.212 5.951 0.000) 7.291 4.924 ( -0.882 -5.053 0.000) 5.130 4.924 ( 0.882 -5.053 0.000) 5.130 5.560 ( -4.835 -4.295 0.000) 6.467 5.560 ( 4.835 -4.295 0.000) 6.467 5.726 ( -2.915 -4.862 0.000) 5.669 5.726 ( 2.915 -4.862 0.000) 5.669 5.750 ( -2.723 8.479 0.000) 8.906 5.750 ( 2.723 8.479 0.000) 8.906 5.989 ( -2.810 5.258 0.000) 5.962 5.989 ( 2.810 5.258 0.000) 5.962 6.879 ( -0.344 -4.163 0.000) 4.177 6.879 ( 0.344 -4.163 0.000) 4.177 7.158 ( -1.903 -2.166 0.000) 2.884 7.158 ( 1.903 -2.166 0.000) 2.884 7.225 ( -0.196 -2.678 0.000) 2.686 7.225 ( 0.196 -2.678 0.000) 2.686 7.298 ( -2.478 12.312 0.000) 12.559 7.298 ( 2.478 12.312 0.000) 12.559 8.046 ( -0.833 5.003 0.000) 5.072 8.046 ( 0.833 5.003 0.000) 5.072 8.289 ( -0.613 -0.351 0.000) 0.707 8.289 ( 0.613 -0.351 0.000) 0.707 8.487 ( -4.375 1.573 0.000) 4.649 8.487 ( 4.375 1.573 0.000) 4.649 8.977 ( -0.842 -0.892 0.000) 1.226 8.977 ( 0.842 -0.892 0.000) 1.226 9.118 ( -3.684 -7.023 0.000) 7.931 9.118 ( 3.684 -7.023 0.000) 7.931 9.426 ( -5.833 -1.452 0.000) 6.011 9.426 ( 5.833 -1.452 0.000) 6.011 10.127 ( -1.426 -1.970 0.000) 2.432 10.127 ( 1.426 -1.970 0.000) 2.432 10.619 ( -1.118 -6.278 0.000) 6.377 10.619 ( 1.118 -6.278 0.000) 6.377 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.000 12.112 0.000) 12.112 2.168 ( 0.000 16.309 0.000) 16.309 2.187 ( 0.000 -1.589 0.000) 1.589 2.274 ( 0.000 8.982 0.000) 8.982 2.336 ( 0.000 1.742 0.000) 1.742 2.582 ( 0.000 4.158 0.000) 4.158 2.641 ( 0.000 16.361 0.000) 16.361 2.690 ( 0.000 7.031 0.000) 7.031 2.768 ( 0.000 2.099 0.000) 2.099 2.865 ( 0.000 -5.753 0.000) 5.753 2.959 ( 0.000 -5.529 0.000) 5.529 2.983 ( 0.000 -4.784 0.000) 4.784 3.216 ( 0.000 4.557 0.000) 4.557 3.586 ( 0.000 2.516 0.000) 2.516 3.589 ( 0.000 2.416 0.000) 2.416 3.618 ( 0.000 -12.190 0.000) 12.190 3.830 ( 0.000 2.734 0.000) 2.734 3.982 ( 0.000 33.711 0.000) 33.711 4.000 ( 0.000 -4.412 0.000) 4.412 4.353 ( 0.000 18.716 0.000) 18.716 4.387 ( 0.000 11.949 0.000) 11.949 4.416 ( 0.000 4.128 0.000) 4.128 4.490 ( 0.000 14.594 0.000) 14.594 4.632 ( 0.000 20.331 0.000) 20.331 4.716 ( 0.000 19.115 0.000) 19.115 4.905 ( 0.000 9.122 0.000) 9.122 4.949 ( 0.000 4.694 0.000) 4.694 5.030 ( 0.000 0.836 0.000) 0.836 5.320 ( 0.000 -2.047 0.000) 2.047 5.484 ( 0.000 -5.770 0.000) 5.770 5.662 ( 0.000 1.104 0.000) 1.104 5.741 ( 0.000 -3.724 0.000) 3.724 5.900 ( 0.000 1.724 0.000) 1.724 5.935 ( 0.000 8.629 0.000) 8.629 6.044 ( 0.000 5.023 0.000) 5.023 6.185 ( 0.000 3.620 0.000) 3.620 7.036 ( 0.000 -6.078 0.000) 6.078 7.083 ( 0.000 -4.876 0.000) 4.876 7.147 ( 0.000 -2.122 0.000) 2.122 7.230 ( 0.000 -4.069 0.000) 4.069 7.252 ( 0.000 6.240 0.000) 6.240 7.327 ( 0.000 3.721 0.000) 3.721 7.500 ( 0.000 -7.410 0.000) 7.410 7.532 ( 0.000 -4.455 0.000) 4.455 7.788 ( 0.000 -8.326 0.000) 8.326 7.827 ( 0.000 0.662 0.000) 0.662 7.905 ( 0.000 2.516 0.000) 2.516 8.222 ( 0.000 -8.756 0.000) 8.756 8.461 ( 0.000 10.158 0.000) 10.158 8.577 ( 0.000 9.233 0.000) 9.233 8.904 ( 0.000 0.051 0.000) 0.051 8.906 ( 0.000 3.392 0.000) 3.392 9.101 ( 0.000 -3.923 0.000) 3.923 9.149 ( 0.000 0.650 0.000) 0.650 9.489 ( 0.000 -1.653 0.000) 1.653 9.619 ( 0.000 -6.833 0.000) 6.833 10.124 ( 0.000 1.661 0.000) 1.661 10.210 ( 0.000 -2.648 0.000) 2.648 10.317 ( 0.000 -6.527 0.000) 6.527 10.595 ( 0.000 -7.418 0.000) 7.418 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.17 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -1.722 12.452 0.000) 12.570 2.154 ( -0.896 6.658 0.000) 6.718 2.220 ( 2.665 7.638 0.000) 8.089 2.253 ( -1.875 8.697 0.000) 8.897 2.316 ( -2.495 1.412 0.000) 2.867 2.557 ( -2.368 4.221 0.000) 4.840 2.626 ( -7.091 1.110 0.000) 7.177 2.677 ( 3.273 14.259 0.000) 14.630 2.737 ( -2.866 4.289 0.000) 5.159 2.765 ( -1.162 5.357 0.000) 5.482 2.975 ( -0.801 -3.397 0.000) 3.491 3.071 ( 3.598 -6.014 0.000) 7.008 3.256 ( 3.967 4.173 0.000) 5.758 3.550 ( -0.813 1.822 0.000) 1.995 3.571 ( -4.140 -12.717 0.000) 13.373 3.624 ( 0.267 0.550 0.000) 0.611 3.820 ( -0.433 3.873 0.000) 3.897 3.951 ( -2.830 -0.094 0.000) 2.832 3.974 ( -0.159 29.158 0.000) 29.159 4.257 ( -6.299 15.776 0.000) 16.987 4.470 ( 5.488 16.814 0.000) 17.687 4.487 ( 5.651 1.227 0.000) 5.783 4.583 ( 7.440 12.392 0.000) 14.454 4.689 ( 5.025 20.877 0.000) 21.473 4.731 ( 1.300 17.812 0.000) 17.860 4.886 ( -1.891 6.425 0.000) 6.698 4.946 ( -0.153 7.400 0.000) 7.401 5.005 ( -2.266 1.494 0.000) 2.714 5.335 ( 1.597 -2.334 0.000) 2.828 5.510 ( 2.409 -5.210 0.000) 5.740 5.644 ( -1.958 -0.233 0.000) 1.971 5.725 ( -1.464 -3.459 0.000) 3.756 5.907 ( 0.591 2.581 0.000) 2.647 5.924 ( -1.042 8.454 0.000) 8.518 6.040 ( -0.163 5.268 0.000) 5.270 6.176 ( -0.902 3.703 0.000) 3.812 6.935 ( -7.939 -5.960 0.000) 9.927 6.990 ( -7.375 -4.225 0.000) 8.499 7.118 ( -3.152 -3.724 0.000) 4.879 7.208 ( -3.684 -5.854 0.000) 6.917 7.253 ( 0.490 4.604 0.000) 4.630 7.320 ( -0.988 2.839 0.000) 3.006 7.432 ( -3.540 -4.517 0.000) 5.739 7.496 ( -3.303 -2.077 0.000) 3.902 7.893 ( 7.572 -7.997 0.000) 11.013 7.925 ( 7.234 0.042 0.000) 7.234 7.985 ( 8.931 2.860 0.000) 9.378 8.227 ( 0.191 -5.728 0.000) 5.731 8.487 ( -6.739 6.320 0.000) 9.239 8.517 ( 5.367 7.468 0.000) 9.196 8.915 ( 0.881 0.119 0.000) 0.889 8.989 ( 4.827 3.388 0.000) 5.897 9.088 ( -1.031 -1.173 0.000) 1.562 9.173 ( 3.173 -0.553 0.000) 3.221 9.388 ( -10.046 -3.538 0.000) 10.651 9.582 ( -2.717 -3.268 0.000) 4.250 10.119 ( -0.475 1.381 0.000) 1.460 10.156 ( -2.944 -2.550 0.000) 3.894 10.391 ( 4.570 -6.577 0.000) 8.009 10.575 ( -1.845 -6.993 0.000) 7.233 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.33 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -0.339 11.580 0.000) 11.585 2.134 ( -1.698 4.849 0.000) 5.137 2.201 ( -6.052 2.148 0.000) 6.422 2.208 ( -2.388 8.080 0.000) 8.425 2.303 ( 4.114 9.679 0.000) 10.517 2.491 ( -4.150 4.566 0.000) 6.170 2.542 ( -0.294 3.133 0.000) 3.147 2.660 ( -4.085 3.100 0.000) 5.128 2.763 ( 4.381 13.231 0.000) 13.937 2.783 ( 1.819 6.505 0.000) 6.755 2.954 ( -0.885 1.610 0.000) 1.837 3.063 ( -3.497 1.977 0.000) 4.017 3.363 ( 6.195 3.794 0.000) 7.265 3.492 ( -2.684 -13.331 0.000) 13.598 3.508 ( -3.675 -6.026 0.000) 7.059 3.617 ( -1.832 -1.480 0.000) 2.355 3.825 ( 2.427 9.430 0.000) 9.738 3.953 ( 2.527 5.424 0.000) 5.984 3.979 ( 0.096 19.217 0.000) 19.217 4.119 ( -7.272 14.559 0.000) 16.274 4.579 ( 5.017 15.284 0.000) 16.087 4.597 ( 4.741 2.225 0.000) 5.237 4.727 ( 5.643 12.824 0.000) 14.011 4.756 ( 1.077 15.413 0.000) 15.450 4.788 ( 3.672 16.096 0.000) 16.510 4.841 ( -2.021 2.217 0.000) 3.000 4.941 ( -0.414 11.670 0.000) 11.677 4.959 ( -1.847 5.788 0.000) 6.076 5.386 ( 3.578 -2.800 0.000) 4.543 5.570 ( 3.330 -4.310 0.000) 5.447 5.578 ( -4.638 -2.422 0.000) 5.232 5.689 ( -2.191 -3.321 0.000) 3.979 5.902 ( -0.780 7.892 0.000) 7.931 5.914 ( -0.168 4.614 0.000) 4.617 6.050 ( 1.412 5.170 0.000) 5.360 6.146 ( -2.187 3.848 0.000) 4.426 6.794 ( -5.005 -6.372 0.000) 8.103 6.845 ( -6.339 -4.613 0.000) 7.840 7.046 ( -3.318 -6.463 0.000) 7.265 7.093 ( -6.081 -7.736 0.000) 9.840 7.265 ( 0.630 3.613 0.000) 3.667 7.298 ( -1.007 2.856 0.000) 3.028 7.401 ( -0.289 -1.360 0.000) 1.390 7.436 ( -2.258 0.981 0.000) 2.462 8.003 ( 4.275 -4.150 0.000) 5.958 8.048 ( 4.290 0.315 0.000) 4.302 8.225 ( 0.028 -3.837 0.000) 3.837 8.256 ( 15.287 -1.373 0.000) 15.348 8.362 ( -4.666 4.966 0.000) 6.814 8.640 ( 5.055 6.507 0.000) 8.240 8.927 ( -0.148 -1.845 0.000) 1.851 9.011 ( -2.136 -0.745 0.000) 2.262 9.065 ( -1.330 1.053 0.000) 1.696 9.148 ( -11.261 -2.391 0.000) 11.512 9.291 ( 7.420 1.379 0.000) 7.547 9.520 ( -3.739 -0.623 0.000) 3.791 10.107 ( -0.590 0.594 0.000) 0.838 10.114 ( -1.353 -1.730 0.000) 2.197 10.460 ( 2.351 -6.395 0.000) 6.813 10.532 ( -2.160 -6.211 0.000) 6.576 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -4.459 7.173 0.000) 8.446 2.043 ( 4.459 7.173 0.000) 8.446 2.169 ( -1.250 7.178 0.000) 7.286 2.169 ( 1.250 7.178 0.000) 7.286 2.398 ( -4.986 6.797 0.000) 8.429 2.398 ( 4.986 6.797 0.000) 8.429 2.581 ( -3.475 3.542 0.000) 4.962 2.581 ( 3.475 3.542 0.000) 4.962 2.812 ( -0.218 6.221 0.000) 6.225 2.812 ( 0.218 6.221 0.000) 6.225 2.978 ( -3.758 7.898 0.000) 8.746 2.978 ( 3.758 7.898 0.000) 8.746 3.447 ( -2.113 -6.272 0.000) 6.618 3.447 ( 2.113 -6.272 0.000) 6.618 3.526 ( -5.833 -4.143 0.000) 7.155 3.526 ( 5.833 -4.143 0.000) 7.155 3.929 ( -6.024 11.625 0.000) 13.093 3.929 ( 6.024 11.625 0.000) 13.093 4.007 ( -2.992 11.511 0.000) 11.893 4.007 ( 2.992 11.511 0.000) 11.893 4.645 ( -0.682 8.543 0.000) 8.570 4.645 ( 0.682 8.543 0.000) 8.570 4.767 ( -0.231 15.501 0.000) 15.503 4.767 ( 0.231 15.501 0.000) 15.503 4.828 ( -0.579 2.507 0.000) 2.573 4.828 ( 0.579 2.507 0.000) 2.573 4.939 ( -0.416 13.821 0.000) 13.827 4.939 ( 0.416 13.821 0.000) 13.827 5.475 ( -5.163 -3.089 0.000) 6.017 5.475 ( 5.163 -3.089 0.000) 6.017 5.635 ( -3.119 -3.698 0.000) 4.838 5.635 ( 3.120 -3.698 0.000) 4.838 5.902 ( -0.662 6.608 0.000) 6.641 5.902 ( 0.662 6.608 0.000) 6.641 6.094 ( -2.716 4.291 0.000) 5.079 6.094 ( 2.716 4.291 0.000) 5.079 6.760 ( -1.652 -5.812 0.000) 6.042 6.760 ( 1.652 -5.812 0.000) 6.042 7.017 ( -1.030 -7.588 0.000) 7.657 7.017 ( 1.030 -7.588 0.000) 7.657 7.279 ( -0.866 3.234 0.000) 3.348 7.279 ( 0.866 3.234 0.000) 3.348 7.407 ( -0.800 0.580 0.000) 0.988 7.407 ( 0.800 0.580 0.000) 0.988 8.069 ( -1.930 -1.091 0.000) 2.217 8.069 ( 1.930 -1.091 0.000) 2.217 8.260 ( -3.569 -2.967 0.000) 4.641 8.260 ( 3.569 -2.967 0.000) 4.641 8.574 ( -12.619 5.720 0.000) 13.855 8.574 ( 12.619 5.720 0.000) 13.855 8.942 ( -3.499 -5.061 0.000) 6.152 8.942 ( 3.499 -5.061 0.000) 6.152 9.046 ( -0.188 2.441 0.000) 2.449 9.046 ( 0.188 2.441 0.000) 2.449 9.426 ( -5.800 0.831 0.000) 5.859 9.426 ( 5.800 0.831 0.000) 5.859 10.101 ( -0.070 -0.544 0.000) 0.548 10.101 ( 0.070 -0.544 0.000) 0.548 10.495 ( -1.535 -5.970 0.000) 6.164 10.495 ( 1.535 -5.970 0.000) 6.164 ======================= Grid point 35 (21/84) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.000 -2.856 0.000) 2.856 2.231 ( 0.000 -4.067 0.000) 4.067 2.240 ( 0.000 6.675 0.000) 6.675 2.431 ( 0.000 6.412 0.000) 6.412 2.460 ( 0.000 3.086 0.000) 3.086 2.613 ( 0.000 -1.553 0.000) 1.553 2.703 ( 0.000 -9.612 0.000) 9.612 2.733 ( 0.000 -3.023 0.000) 3.023 2.773 ( 0.000 -0.838 0.000) 0.838 2.792 ( 0.000 -3.645 0.000) 3.645 2.860 ( 0.000 0.655 0.000) 0.655 3.091 ( 0.000 15.940 0.000) 15.940 3.125 ( 0.000 -14.036 0.000) 14.036 3.474 ( 0.000 1.046 0.000) 1.046 3.634 ( 0.000 3.067 0.000) 3.067 3.649 ( 0.000 3.563 0.000) 3.563 3.867 ( 0.000 1.065 0.000) 1.065 3.919 ( 0.000 -2.776 0.000) 2.776 4.417 ( 0.000 11.418 0.000) 11.418 4.479 ( 0.000 3.828 0.000) 3.828 4.653 ( 0.000 10.906 0.000) 10.906 4.659 ( 0.000 3.610 0.000) 3.610 4.779 ( 0.000 22.197 0.000) 22.197 4.931 ( 0.000 -4.302 0.000) 4.302 5.025 ( 0.000 2.011 0.000) 2.011 5.033 ( 0.000 16.511 0.000) 16.511 5.111 ( 0.000 11.890 0.000) 11.890 5.143 ( 0.000 11.256 0.000) 11.256 5.295 ( 0.000 0.130 0.000) 0.130 5.378 ( 0.000 -3.932 0.000) 3.932 5.682 ( 0.000 1.241 0.000) 1.241 5.704 ( 0.000 0.124 0.000) 0.124 5.948 ( 0.000 3.229 0.000) 3.229 6.091 ( 0.000 6.333 0.000) 6.333 6.140 ( 0.000 3.955 0.000) 3.955 6.208 ( 0.000 -1.235 0.000) 1.235 6.952 ( 0.000 -1.937 0.000) 1.937 7.002 ( 0.000 -2.878 0.000) 2.878 7.073 ( 0.000 -4.270 0.000) 4.270 7.135 ( 0.000 -5.094 0.000) 5.094 7.366 ( 0.000 0.498 0.000) 0.498 7.370 ( 0.000 5.483 0.000) 5.483 7.393 ( 0.000 -3.211 0.000) 3.211 7.483 ( 0.000 -0.691 0.000) 0.691 7.667 ( 0.000 -3.551 0.000) 3.551 7.848 ( 0.000 1.259 0.000) 1.259 7.872 ( 0.000 -4.839 0.000) 4.839 8.054 ( 0.000 -7.390 0.000) 7.390 8.674 ( 0.000 10.883 0.000) 10.883 8.749 ( 0.000 7.589 0.000) 7.589 8.946 ( 0.000 3.795 0.000) 3.795 8.976 ( 0.000 2.264 0.000) 2.264 9.052 ( 0.000 -0.298 0.000) 0.298 9.161 ( 0.000 0.302 0.000) 0.302 9.438 ( 0.000 -3.776 0.000) 3.776 9.458 ( 0.000 -8.656 0.000) 8.656 10.161 ( 0.000 2.008 0.000) 2.008 10.165 ( 0.000 -1.668 0.000) 1.668 10.214 ( 0.000 -3.733 0.000) 3.733 10.442 ( 0.000 -7.405 0.000) 7.405 ======================= Grid point 36 (22/84) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 1.439 -1.750 0.000) 2.266 2.222 ( -1.731 6.613 0.000) 6.836 2.231 ( -0.198 -3.603 0.000) 3.608 2.405 ( -2.507 6.172 0.000) 6.662 2.418 ( -3.324 0.527 0.000) 3.365 2.589 ( -2.346 -1.349 0.000) 2.707 2.649 ( -2.000 1.579 0.000) 2.548 2.721 ( -1.212 -2.834 0.000) 3.082 2.799 ( 0.724 -3.323 0.000) 3.401 2.851 ( 2.338 0.945 0.000) 2.522 2.869 ( 2.572 -9.241 0.000) 9.593 3.072 ( -1.026 2.217 0.000) 2.443 3.181 ( 4.382 -1.717 0.000) 4.707 3.459 ( -0.936 2.925 0.000) 3.071 3.612 ( -2.710 4.233 0.000) 5.027 3.657 ( -0.059 3.150 0.000) 3.151 3.881 ( 2.746 1.895 0.000) 3.336 3.930 ( 1.395 -1.116 0.000) 1.786 4.370 ( -4.340 11.544 0.000) 12.332 4.531 ( 4.827 3.268 0.000) 5.829 4.557 ( -7.654 11.526 0.000) 13.836 4.709 ( 4.090 3.713 0.000) 5.524 4.817 ( 1.819 14.392 0.000) 14.507 4.903 ( -2.382 -3.355 0.000) 4.115 5.028 ( 0.137 5.855 0.000) 5.856 5.054 ( 1.379 14.741 0.000) 14.806 5.135 ( 0.108 8.208 0.000) 8.209 5.138 ( 2.773 11.928 0.000) 12.246 5.320 ( 2.493 1.751 0.000) 3.046 5.425 ( 3.960 -2.315 0.000) 4.587 5.649 ( -3.189 1.041 0.000) 3.354 5.691 ( -1.369 0.005 0.000) 1.369 5.968 ( 1.784 3.579 0.000) 4.000 6.074 ( -1.576 6.076 0.000) 6.277 6.135 ( -0.421 3.652 0.000) 3.676 6.206 ( -0.373 -0.758 0.000) 0.845 6.851 ( -8.293 -1.943 0.000) 8.517 6.921 ( -6.816 -2.282 0.000) 7.188 7.022 ( -4.755 -4.921 0.000) 6.843 7.078 ( -6.126 -6.694 0.000) 9.074 7.345 ( -1.595 -0.333 0.000) 1.630 7.347 ( -1.189 4.444 0.000) 4.600 7.366 ( -0.962 -1.736 0.000) 1.985 7.468 ( -1.721 -0.711 0.000) 1.862 7.775 ( 8.454 -3.392 0.000) 9.109 7.938 ( 6.998 1.076 0.000) 7.080 7.952 ( 7.916 -4.767 0.000) 9.241 8.108 ( 4.075 -5.478 0.000) 6.828 8.640 ( -7.540 8.090 0.000) 11.059 8.674 ( 0.583 8.021 0.000) 8.042 8.956 ( 0.272 3.422 0.000) 3.433 8.997 ( -1.073 -2.741 0.000) 2.943 9.099 ( 3.633 2.914 0.000) 4.657 9.198 ( 4.574 1.604 0.000) 4.847 9.307 ( -8.777 -4.333 0.000) 9.788 9.500 ( 0.673 -4.992 0.000) 5.037 10.124 ( -1.969 -0.559 0.000) 2.047 10.152 ( -0.837 1.944 0.000) 2.117 10.274 ( 3.681 -5.007 0.000) 6.214 10.430 ( -1.093 -7.059 0.000) 7.143 ======================= Grid point 37 (23/84) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.488 1.290 0.000) 1.379 2.182 ( -1.843 6.371 0.000) 6.633 2.217 ( 0.046 -0.237 0.000) 0.241 2.340 ( -3.729 5.137 0.000) 6.348 2.386 ( 0.909 -1.295 0.000) 1.582 2.524 ( -4.036 -1.384 0.000) 4.267 2.636 ( 0.420 4.444 0.000) 4.464 2.690 ( -1.757 -0.779 0.000) 1.921 2.819 ( 1.184 -3.177 0.000) 3.391 2.855 ( -0.352 0.064 0.000) 0.358 2.943 ( 3.327 -10.837 0.000) 11.336 3.047 ( -1.738 -4.733 0.000) 5.042 3.278 ( 4.993 3.116 0.000) 5.885 3.471 ( 2.677 5.179 0.000) 5.830 3.511 ( -6.504 5.491 0.000) 8.512 3.637 ( -2.572 3.073 0.000) 4.008 3.974 ( 6.154 5.178 0.000) 8.042 4.011 ( 7.006 1.315 0.000) 7.128 4.259 ( -6.517 9.585 0.000) 11.591 4.380 ( -9.808 9.578 0.000) 13.709 4.646 ( 5.904 2.660 0.000) 6.476 4.763 ( 0.240 3.417 0.000) 3.425 4.848 ( 1.491 5.245 0.000) 5.453 4.857 ( -1.715 -1.416 0.000) 2.224 5.033 ( 0.772 10.285 0.000) 10.314 5.070 ( 0.091 12.530 0.000) 12.530 5.163 ( 2.409 6.706 0.000) 7.126 5.201 ( 2.532 11.082 0.000) 11.367 5.385 ( 3.821 3.595 0.000) 5.247 5.510 ( 4.308 -0.983 0.000) 4.419 5.564 ( -5.001 1.275 0.000) 5.161 5.651 ( -2.614 -0.429 0.000) 2.649 6.005 ( 1.516 4.479 0.000) 4.729 6.040 ( -1.512 5.611 0.000) 5.811 6.131 ( 0.263 2.604 0.000) 2.617 6.187 ( -1.611 0.260 0.000) 1.632 6.701 ( -5.103 -2.344 0.000) 5.615 6.776 ( -6.838 -1.882 0.000) 7.093 6.920 ( -4.611 -5.797 0.000) 7.407 6.937 ( -6.298 -7.601 0.000) 9.871 7.326 ( -0.436 0.134 0.000) 0.456 7.330 ( -0.612 2.703 0.000) 2.771 7.364 ( 0.643 -1.724 0.000) 1.840 7.427 ( -2.103 -1.003 0.000) 2.330 7.934 ( 7.246 -1.726 0.000) 7.449 8.068 ( 5.000 1.546 0.000) 5.233 8.147 ( 8.910 -6.392 0.000) 10.966 8.157 ( 0.533 -2.549 0.000) 2.605 8.530 ( -1.402 8.552 0.000) 8.666 8.723 ( 4.494 1.933 0.000) 4.892 8.893 ( -8.400 -1.237 0.000) 8.490 8.942 ( -4.119 -4.613 0.000) 6.185 9.139 ( 0.879 4.896 0.000) 4.974 9.164 ( -3.485 3.327 0.000) 4.818 9.323 ( 6.495 0.897 0.000) 6.557 9.488 ( -1.772 -2.876 0.000) 3.378 10.102 ( -0.313 0.582 0.000) 0.661 10.131 ( -1.252 1.752 0.000) 2.154 10.336 ( 2.391 -5.934 0.000) 6.397 10.403 ( -1.501 -6.405 0.000) 6.578 ======================= Grid point 38 (24/84) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -0.266 4.909 0.000) 4.916 2.164 ( 0.266 4.909 0.000) 4.916 2.265 ( -3.552 3.113 0.000) 4.723 2.265 ( 3.552 3.113 0.000) 4.723 2.440 ( -3.943 -1.816 0.000) 4.341 2.440 ( 3.943 -1.816 0.000) 4.341 2.656 ( -1.463 2.395 0.000) 2.807 2.656 ( 1.463 2.395 0.000) 2.807 2.841 ( -0.970 -2.259 0.000) 2.458 2.841 ( 0.970 -2.259 0.000) 2.458 3.002 ( -2.662 -8.522 0.000) 8.928 3.002 ( 2.662 -8.522 0.000) 8.928 3.383 ( -5.886 6.009 0.000) 8.411 3.383 ( 5.886 6.009 0.000) 8.411 3.556 ( -5.011 3.950 0.000) 6.380 3.556 ( 5.011 3.950 0.000) 6.380 4.117 ( -7.580 6.782 0.000) 10.171 4.117 ( 7.580 6.782 0.000) 10.171 4.181 ( -9.682 6.021 0.000) 11.402 4.181 ( 9.682 6.021 0.000) 11.402 4.735 ( -2.742 2.676 0.000) 3.831 4.735 ( 2.742 2.676 0.000) 3.831 4.851 ( -0.806 1.092 0.000) 1.357 4.851 ( 0.806 1.092 0.000) 1.357 5.058 ( -1.242 11.672 0.000) 11.738 5.058 ( 1.242 11.672 0.000) 11.738 5.211 ( -1.595 8.590 0.000) 8.737 5.211 ( 1.595 8.590 0.000) 8.737 5.467 ( -4.470 2.786 0.000) 5.267 5.467 ( 4.470 2.786 0.000) 5.267 5.589 ( -3.559 -0.660 0.000) 3.620 5.589 ( 3.559 -0.660 0.000) 3.620 6.022 ( -0.461 5.208 0.000) 5.229 6.022 ( 0.461 5.208 0.000) 5.229 6.150 ( -1.640 1.250 0.000) 2.062 6.150 ( 1.640 1.250 0.000) 2.062 6.677 ( -2.469 -2.125 0.000) 3.257 6.677 ( 2.469 -2.125 0.000) 3.257 6.869 ( -0.168 -6.989 0.000) 6.991 6.869 ( 0.168 -6.989 0.000) 6.991 7.323 ( -0.084 1.158 0.000) 1.161 7.323 ( 0.084 1.158 0.000) 1.161 7.388 ( -1.716 -1.512 0.000) 2.287 7.388 ( 1.716 -1.512 0.000) 2.287 8.060 ( -4.926 0.609 0.000) 4.963 8.060 ( 4.926 0.609 0.000) 4.963 8.198 ( -2.651 -2.775 0.000) 3.838 8.198 ( 2.651 -2.775 0.000) 3.838 8.656 ( -12.024 2.318 0.000) 12.246 8.656 ( 12.024 2.318 0.000) 12.246 8.840 ( -5.784 -3.986 0.000) 7.025 8.840 ( 5.784 -3.986 0.000) 7.025 9.145 ( -0.075 6.080 0.000) 6.080 9.145 ( 0.076 6.080 0.000) 6.080 9.430 ( -4.099 -0.956 0.000) 4.209 9.430 ( 4.099 -0.956 0.000) 4.209 10.108 ( -0.863 1.352 0.000) 1.604 10.108 ( 0.863 1.352 0.000) 1.604 10.373 ( -1.558 -6.091 0.000) 6.287 10.373 ( 1.558 -6.091 0.000) 6.287 ======================= Grid point 42 (25/84) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.000 0.276 0.000) 0.276 2.146 ( 0.000 -3.646 0.000) 3.646 2.350 ( 0.000 5.463 0.000) 5.463 2.412 ( 0.000 -2.286 0.000) 2.286 2.479 ( 0.000 -8.841 0.000) 8.841 2.497 ( 0.000 -7.477 0.000) 7.477 2.540 ( 0.000 3.069 0.000) 3.069 2.620 ( 0.000 -4.796 0.000) 4.796 2.799 ( 0.000 2.202 0.000) 2.202 2.838 ( 0.000 4.002 0.000) 4.002 2.882 ( 0.000 -0.206 0.000) 0.206 2.884 ( 0.000 -7.279 0.000) 7.279 3.373 ( 0.000 10.497 0.000) 10.497 3.494 ( 0.000 -1.545 0.000) 1.545 3.701 ( 0.000 2.453 0.000) 2.453 3.709 ( 0.000 1.695 0.000) 1.695 3.880 ( 0.000 0.392 0.000) 0.392 3.888 ( 0.000 -0.632 0.000) 0.632 4.587 ( 0.000 7.097 0.000) 7.097 4.589 ( 0.000 6.274 0.000) 6.274 4.674 ( 0.000 -1.925 0.000) 1.925 4.764 ( 0.000 -9.725 0.000) 9.725 4.820 ( 0.000 6.538 0.000) 6.538 4.937 ( 0.000 -4.293 0.000) 4.293 5.171 ( 0.000 9.112 0.000) 9.112 5.244 ( 0.000 0.051 0.000) 0.051 5.269 ( 0.000 6.459 0.000) 6.459 5.291 ( 0.000 4.272 0.000) 4.272 5.349 ( 0.000 1.010 0.000) 1.010 5.354 ( 0.000 2.792 0.000) 2.792 5.709 ( 0.000 1.127 0.000) 1.127 5.717 ( 0.000 0.434 0.000) 0.434 6.035 ( 0.000 5.233 0.000) 5.233 6.143 ( 0.000 -4.820 0.000) 4.820 6.183 ( 0.000 2.546 0.000) 2.546 6.194 ( 0.000 1.226 0.000) 1.226 6.958 ( 0.000 2.318 0.000) 2.318 6.970 ( 0.000 -0.149 0.000) 0.149 6.997 ( 0.000 -2.782 0.000) 2.782 7.033 ( 0.000 -4.711 0.000) 4.711 7.360 ( 0.000 -0.448 0.000) 0.448 7.363 ( 0.000 -0.455 0.000) 0.455 7.463 ( 0.000 2.969 0.000) 2.969 7.484 ( 0.000 0.231 0.000) 0.231 7.649 ( 0.000 2.189 0.000) 2.189 7.748 ( 0.000 -6.493 0.000) 6.493 7.877 ( 0.000 1.802 0.000) 1.802 7.935 ( 0.000 -4.221 0.000) 4.221 8.881 ( 0.000 5.383 0.000) 5.383 8.894 ( 0.000 10.165 0.000) 10.165 8.964 ( 0.000 -2.677 0.000) 2.677 9.015 ( 0.000 0.388 0.000) 0.388 9.096 ( 0.000 3.253 0.000) 3.253 9.149 ( 0.000 -1.650 0.000) 1.650 9.305 ( 0.000 -4.268 0.000) 4.268 9.339 ( 0.000 -5.239 0.000) 5.239 10.146 ( 0.000 -0.141 0.000) 0.141 10.161 ( 0.000 -1.637 0.000) 1.637 10.212 ( 0.000 3.335 0.000) 3.335 10.305 ( 0.000 -5.832 0.000) 5.832 ======================= Grid point 43 (26/84) ======================= q-point: ( 0.17 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 2.759 0.273 0.000) 2.772 2.162 ( 1.575 -2.754 0.000) 3.172 2.334 ( -1.408 5.916 0.000) 6.081 2.386 ( -1.659 0.378 0.000) 1.701 2.491 ( -0.791 -7.883 0.000) 7.922 2.505 ( 1.699 -10.703 0.000) 10.837 2.508 ( -3.044 3.880 0.000) 4.931 2.598 ( -2.027 -5.671 0.000) 6.023 2.806 ( 0.528 2.180 0.000) 2.243 2.835 ( -0.231 3.496 0.000) 3.504 2.878 ( -0.329 -0.444 0.000) 0.553 2.885 ( 0.065 -6.791 0.000) 6.792 3.394 ( 2.090 9.529 0.000) 9.755 3.499 ( 0.738 -0.850 0.000) 1.126 3.694 ( -1.457 3.142 0.000) 3.464 3.716 ( -0.092 1.366 0.000) 1.369 3.904 ( 3.688 0.833 0.000) 3.781 3.918 ( 3.271 -0.392 0.000) 3.294 4.542 ( -4.682 6.221 0.000) 7.786 4.623 ( 3.408 5.944 0.000) 6.851 4.628 ( -5.213 -2.023 0.000) 5.592 4.770 ( 0.619 -7.989 0.000) 8.013 4.831 ( 1.311 6.697 0.000) 6.824 4.930 ( -1.065 -2.119 0.000) 2.371 5.153 ( -0.361 5.071 0.000) 5.084 5.201 ( -2.198 -0.148 0.000) 2.203 5.272 ( 0.024 6.377 0.000) 6.377 5.304 ( 1.192 3.378 0.000) 3.582 5.398 ( 4.491 3.980 0.000) 6.001 5.430 ( 4.883 1.091 0.000) 5.004 5.680 ( -2.684 1.637 0.000) 3.144 5.699 ( -1.860 0.016 0.000) 1.860 6.055 ( 1.870 4.952 0.000) 5.293 6.153 ( 0.810 -4.135 0.000) 4.213 6.164 ( -1.727 2.650 0.000) 3.163 6.181 ( -1.211 0.823 0.000) 1.464 6.860 ( -8.379 2.678 0.000) 8.797 6.901 ( -6.020 0.366 0.000) 6.031 6.937 ( -5.380 -3.173 0.000) 6.246 6.948 ( -7.662 -5.737 0.000) 9.572 7.334 ( -1.328 -0.016 0.000) 1.328 7.345 ( -1.108 -0.861 0.000) 1.404 7.424 ( -2.553 2.873 0.000) 3.844 7.458 ( -2.390 -0.665 0.000) 2.481 7.759 ( 8.772 1.766 0.000) 8.948 7.838 ( 8.124 -5.542 0.000) 9.835 7.965 ( 7.059 1.760 0.000) 7.275 8.016 ( 6.489 -3.452 0.000) 7.350 8.796 ( -6.060 7.030 0.000) 9.281 8.845 ( -4.090 8.531 0.000) 9.460 8.918 ( -3.892 -4.927 0.000) 6.279 8.982 ( -4.230 -3.224 0.000) 5.318 9.165 ( 4.580 3.068 0.000) 5.513 9.208 ( 4.972 -0.885 0.000) 5.050 9.267 ( -1.154 2.467 0.000) 2.724 9.379 ( 1.864 -6.688 0.000) 6.943 10.135 ( -0.280 1.628 0.000) 1.652 10.188 ( 1.801 -3.510 0.000) 3.945 10.204 ( -0.779 3.423 0.000) 3.510 10.298 ( -0.711 -5.765 0.000) 5.809 ======================= Grid point 44 (27/84) ======================= q-point: ( 0.33 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 3.895 0.849 0.000) 3.986 2.210 ( 3.870 -0.120 0.000) 3.872 2.301 ( -1.779 6.623 0.000) 6.858 2.366 ( -0.074 2.404 0.000) 2.405 2.423 ( -5.033 1.667 0.000) 5.302 2.460 ( -2.861 -3.137 0.000) 4.246 2.531 ( 0.907 -12.126 0.000) 12.160 2.558 ( -1.419 -9.279 0.000) 9.387 2.816 ( 0.460 2.061 0.000) 2.112 2.830 ( -0.258 2.349 0.000) 2.364 2.871 ( -0.234 -1.246 0.000) 1.268 2.882 ( -0.387 -5.305 0.000) 5.319 3.453 ( 3.708 7.748 0.000) 8.590 3.534 ( 2.867 -0.011 0.000) 2.867 3.631 ( -4.409 4.995 0.000) 6.662 3.684 ( -3.056 0.167 0.000) 3.061 4.031 ( 8.299 1.412 0.000) 8.418 4.042 ( 9.148 0.907 0.000) 9.193 4.407 ( -8.554 5.367 0.000) 10.099 4.471 ( -10.044 -0.217 0.000) 10.046 4.709 ( 4.775 3.687 0.000) 6.033 4.793 ( 1.872 -4.214 0.000) 4.611 4.842 ( -1.183 4.262 0.000) 4.423 4.898 ( -1.870 -0.524 0.000) 1.942 5.170 ( 2.072 3.535 0.000) 4.097 5.207 ( 2.786 -0.491 0.000) 2.829 5.263 ( -1.064 6.323 0.000) 6.412 5.320 ( -0.228 0.994 0.000) 1.020 5.487 ( 4.013 4.258 0.000) 5.851 5.522 ( 4.133 0.646 0.000) 4.183 5.615 ( -3.457 2.871 0.000) 4.494 5.650 ( -2.771 -0.433 0.000) 2.805 6.094 ( 1.504 4.128 0.000) 4.394 6.126 ( -1.608 2.871 0.000) 3.290 6.156 ( -0.999 -0.101 0.000) 1.004 6.163 ( -0.139 -2.464 0.000) 2.468 6.703 ( -5.541 2.439 0.000) 6.054 6.769 ( -6.427 1.082 0.000) 6.517 6.793 ( -6.172 -6.166 0.000) 8.725 6.819 ( -5.630 -3.858 0.000) 6.825 7.324 ( 0.194 0.120 0.000) 0.228 7.336 ( 0.384 -1.034 0.000) 1.103 7.375 ( -2.256 1.835 0.000) 2.908 7.406 ( -2.628 -1.198 0.000) 2.888 7.942 ( 8.991 2.426 0.000) 9.312 8.024 ( 9.161 -5.377 0.000) 10.622 8.097 ( 5.180 1.233 0.000) 5.324 8.121 ( 2.710 -1.262 0.000) 2.989 8.695 ( -3.239 7.634 0.000) 8.292 8.769 ( -2.658 3.375 0.000) 4.296 8.835 ( -4.093 -6.067 0.000) 7.319 8.848 ( -8.148 -3.569 0.000) 8.896 9.239 ( 2.740 4.564 0.000) 5.323 9.269 ( 0.645 6.472 0.000) 6.504 9.311 ( 4.605 -2.226 0.000) 5.115 9.399 ( 0.072 -5.781 0.000) 5.782 10.139 ( 0.650 3.081 0.000) 3.149 10.183 ( -1.245 3.607 0.000) 3.816 10.223 ( 1.657 -5.036 0.000) 5.302 10.279 ( -1.163 -5.653 0.000) 5.771 ======================= Grid point 45 (28/84) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -2.320 4.995 0.000) 5.508 2.263 ( 2.320 4.995 0.000) 5.508 2.315 ( -5.638 1.264 0.000) 5.778 2.315 ( 5.638 1.264 0.000) 5.778 2.394 ( -2.887 -0.116 0.000) 2.889 2.394 ( 2.887 -0.116 0.000) 2.889 2.543 ( -0.409 -11.808 0.000) 11.815 2.543 ( 0.409 -11.808 0.000) 11.815 2.824 ( -0.357 1.861 0.000) 1.895 2.824 ( 0.357 1.861 0.000) 1.895 2.873 ( -0.393 -3.095 0.000) 3.120 2.873 ( 0.393 -3.095 0.000) 3.120 3.537 ( -4.666 6.480 0.000) 7.985 3.537 ( 4.666 6.480 0.000) 7.985 3.608 ( -4.197 -0.104 0.000) 4.198 3.608 ( 4.197 -0.104 0.000) 4.198 4.218 ( -9.977 3.521 0.000) 10.580 4.218 ( 9.977 3.521 0.000) 10.580 4.252 ( -11.351 0.699 0.000) 11.373 4.252 ( 11.351 0.699 0.000) 11.373 4.792 ( -3.367 3.080 0.000) 4.564 4.792 ( 3.367 3.080 0.000) 4.564 4.847 ( -3.200 -1.745 0.000) 3.645 4.847 ( 3.200 -1.745 0.000) 3.645 5.225 ( -2.722 5.098 0.000) 5.779 5.225 ( 2.722 5.098 0.000) 5.779 5.279 ( -3.603 -0.326 0.000) 3.618 5.279 ( 3.603 -0.326 0.000) 3.618 5.553 ( -2.888 3.937 0.000) 4.883 5.553 ( 2.888 3.937 0.000) 4.883 5.593 ( -3.077 -0.048 0.000) 3.077 5.593 ( 3.077 -0.048 0.000) 3.077 6.109 ( -0.341 3.222 0.000) 3.240 6.109 ( 0.341 3.222 0.000) 3.240 6.151 ( -0.519 -1.029 0.000) 1.152 6.151 ( 0.519 -1.029 0.000) 1.152 6.674 ( -2.378 1.696 0.000) 2.921 6.674 ( 2.378 1.696 0.000) 2.921 6.743 ( -1.219 -5.079 0.000) 5.223 6.743 ( 1.219 -5.079 0.000) 5.223 7.339 ( -1.311 0.772 0.000) 1.521 7.339 ( 1.311 0.772 0.000) 1.521 7.360 ( -1.853 -1.253 0.000) 2.237 7.360 ( 1.853 -1.253 0.000) 2.237 8.091 ( -5.168 2.252 0.000) 5.638 8.091 ( 5.168 2.252 0.000) 5.638 8.144 ( -1.755 -2.707 0.000) 3.227 8.144 ( 1.755 -2.707 0.000) 3.227 8.701 ( -4.270 2.875 0.000) 5.148 8.701 ( 4.270 2.875 0.000) 5.148 8.770 ( -1.835 -3.455 0.000) 3.912 8.770 ( 1.835 -3.455 0.000) 3.912 9.272 ( -0.605 6.101 0.000) 6.131 9.272 ( 0.605 6.101 0.000) 6.131 9.379 ( -2.171 -4.101 0.000) 4.640 9.379 ( 2.171 -4.101 0.000) 4.640 10.158 ( -1.201 3.631 0.000) 3.825 10.158 ( 1.201 3.631 0.000) 3.825 10.253 ( -1.388 -5.545 0.000) 5.717 10.253 ( 1.388 -5.545 0.000) 5.717 ======================= Grid point 91 (29/84) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 0.000 26.146) 26.146 0.535 ( 0.000 0.000 28.604) 28.604 0.867 ( 0.000 0.000 45.799) 45.799 1.337 ( 0.000 0.000 -18.299) 18.299 1.387 ( 0.000 0.000 -15.830) 15.830 1.948 ( 0.000 0.000 15.942) 15.942 2.154 ( 0.000 0.000 -0.786) 0.786 2.165 ( 0.000 0.000 1.637) 1.637 2.218 ( 0.000 0.000 -16.477) 16.477 2.245 ( 0.000 0.000 3.825) 3.825 2.319 ( 0.000 0.000 -0.262) 0.262 2.370 ( 0.000 0.000 0.480) 0.480 2.401 ( 0.000 0.000 -0.813) 0.813 2.724 ( 0.000 0.000 -28.738) 28.738 2.938 ( 0.000 0.000 1.095) 1.095 2.955 ( 0.000 0.000 -0.490) 0.490 2.990 ( 0.000 0.000 -1.126) 1.126 3.212 ( 0.000 0.000 -11.040) 11.040 3.331 ( 0.000 0.000 12.438) 12.438 3.735 ( 0.000 0.000 -7.798) 7.798 3.839 ( 0.000 0.000 16.345) 16.345 3.967 ( 0.000 0.000 6.665) 6.665 4.174 ( 0.000 0.000 6.806) 6.806 4.444 ( 0.000 0.000 -5.543) 5.543 4.844 ( 0.000 0.000 2.200) 2.200 4.947 ( 0.000 0.000 -2.198) 2.198 5.102 ( 0.000 0.000 -1.352) 1.352 5.109 ( 0.000 0.000 -1.380) 1.380 5.139 ( 0.000 0.000 -0.191) 0.191 5.152 ( 0.000 0.000 -0.827) 0.827 5.240 ( 0.000 0.000 0.975) 0.975 5.336 ( 0.000 0.000 -4.714) 4.714 5.560 ( 0.000 0.000 6.236) 6.236 5.663 ( 0.000 0.000 3.139) 3.139 5.732 ( 0.000 0.000 -2.708) 2.708 5.771 ( 0.000 0.000 -1.643) 1.643 6.119 ( 0.000 0.000 0.511) 0.511 6.176 ( 0.000 0.000 -2.049) 2.049 6.372 ( 0.000 0.000 0.769) 0.769 6.405 ( 0.000 0.000 -0.679) 0.679 7.372 ( 0.000 0.000 0.783) 0.783 7.409 ( 0.000 0.000 -0.791) 0.791 7.497 ( 0.000 0.000 0.051) 0.051 7.499 ( 0.000 0.000 -0.016) 0.016 7.753 ( 0.000 0.000 6.376) 6.376 8.029 ( 0.000 0.000 0.445) 0.445 8.053 ( 0.000 0.000 -7.018) 7.018 8.078 ( 0.000 0.000 -1.394) 1.394 8.169 ( 0.000 0.000 7.843) 7.843 8.560 ( 0.000 0.000 -9.491) 9.491 8.812 ( 0.000 0.000 1.821) 1.821 8.953 ( 0.000 0.000 -3.173) 3.173 9.297 ( 0.000 0.000 5.892) 5.892 9.428 ( 0.000 0.000 -1.333) 1.333 9.774 ( 0.000 0.000 1.150) 1.150 9.803 ( 0.000 0.000 -0.135) 0.135 10.449 ( 0.000 0.000 6.399) 6.399 10.802 ( 0.000 0.000 -10.696) 10.696 11.121 ( 0.000 0.000 6.121) 6.121 11.262 ( 0.000 0.000 -1.872) 1.872 ======================= Grid point 92 (30/84) ======================= q-point: ( 0.17 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 14.912 0.000 14.091) 20.517 0.841 ( 23.924 0.000 16.539) 29.084 1.204 ( 18.588 0.000 14.602) 23.637 1.355 ( 9.842 0.000 -0.065) 9.843 1.475 ( 8.056 0.000 -13.027) 15.317 1.818 ( -10.403 0.000 12.922) 16.589 2.121 ( -5.151 0.000 -7.111) 8.781 2.229 ( 6.212 0.000 1.658) 6.430 2.237 ( -2.031 0.000 0.473) 2.085 2.273 ( -4.004 0.000 -0.741) 4.072 2.342 ( 8.049 0.000 -8.238) 11.518 2.359 ( 1.852 0.000 4.225) 4.613 2.471 ( 4.665 0.000 -1.403) 4.872 2.709 ( -1.174 0.000 -30.274) 30.297 2.905 ( -3.365 0.000 0.772) 3.453 2.943 ( -4.501 0.000 -0.856) 4.582 3.150 ( 11.443 0.000 -3.715) 12.031 3.264 ( 4.683 0.000 -2.521) 5.318 3.305 ( -0.208 0.000 9.031) 9.034 3.683 ( -2.259 0.000 -4.535) 5.066 3.876 ( 1.356 0.000 7.864) 7.980 3.943 ( -1.897 0.000 6.151) 6.437 4.082 ( -3.232 0.000 15.511) 15.845 4.438 ( -1.209 0.000 -4.909) 5.056 4.790 ( -12.455 0.000 4.266) 13.165 4.850 ( 0.497 0.000 1.504) 1.584 4.883 ( -13.296 0.000 -1.121) 13.343 4.914 ( -2.437 0.000 -1.265) 2.746 5.245 ( 4.570 0.000 1.062) 4.692 5.274 ( 2.884 0.000 1.065) 3.075 5.282 ( 5.816 0.000 -1.121) 5.923 5.375 ( 2.819 0.000 -4.663) 5.449 5.587 ( 3.056 0.000 5.619) 6.396 5.742 ( 0.994 0.000 -2.446) 2.640 5.827 ( 5.744 0.000 0.052) 5.744 6.027 ( 7.801 0.000 -12.290) 14.557 6.124 ( 2.712 0.000 -0.390) 2.740 6.217 ( 2.625 0.000 -2.919) 3.926 6.362 ( -0.997 0.000 0.728) 1.235 6.393 ( -1.258 0.000 -0.625) 1.404 7.334 ( -2.618 0.000 0.523) 2.670 7.357 ( -3.276 0.000 -0.463) 3.308 7.548 ( 3.679 0.000 0.147) 3.682 7.556 ( 3.922 0.000 -0.191) 3.926 7.869 ( 3.207 0.000 -0.827) 3.312 7.934 ( -6.168 0.000 -0.525) 6.191 8.066 ( 3.435 0.000 -2.509) 4.254 8.091 ( 1.961 0.000 -1.849) 2.695 8.359 ( 7.240 0.000 -5.331) 8.991 8.544 ( -0.661 0.000 -8.154) 8.181 8.854 ( 4.958 0.000 -1.416) 5.156 9.014 ( 4.501 0.000 -6.370) 7.799 9.289 ( -0.658 0.000 5.443) 5.483 9.407 ( -1.736 0.000 -1.597) 2.359 9.751 ( -1.631 0.000 3.567) 3.922 9.807 ( -0.491 0.000 -0.334) 0.593 10.426 ( -2.287 0.000 6.696) 7.076 10.629 ( -17.196 0.000 14.440) 22.455 10.904 ( -7.005 0.000 3.435) 7.802 11.106 ( -7.458 0.000 0.292) 7.464 ======================= Grid point 93 (31/84) ======================= q-point: ( 0.33 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 17.077 0.000 1.883) 17.181 1.318 ( 21.970 0.000 7.660) 23.267 1.342 ( 5.259 0.000 -8.959) 10.389 1.568 ( -8.989 0.000 1.686) 9.146 1.649 ( 7.371 0.000 -6.631) 9.915 1.829 ( 11.005 0.000 13.470) 17.394 1.976 ( 0.653 0.000 -5.734) 5.771 2.149 ( -5.668 0.000 -0.880) 5.736 2.182 ( -4.972 0.000 -1.376) 5.159 2.390 ( -1.097 0.000 -5.378) 5.489 2.401 ( 9.387 0.000 4.599) 10.453 2.453 ( 6.884 0.000 4.063) 7.993 2.573 ( 5.463 0.000 -1.867) 5.773 2.797 ( -7.451 0.000 0.853) 7.499 2.829 ( 10.588 0.000 -13.267) 16.974 2.830 ( -6.180 0.000 -0.625) 6.212 3.086 ( -8.689 0.000 6.552) 10.883 3.328 ( -0.608 0.000 -1.239) 1.380 3.543 ( 15.251 0.000 -1.730) 15.349 3.700 ( 4.312 0.000 -5.260) 6.802 3.841 ( -4.164 0.000 7.191) 8.310 3.913 ( -1.092 0.000 2.283) 2.531 4.048 ( -0.512 0.000 9.646) 9.660 4.341 ( -9.619 0.000 -2.959) 10.064 4.610 ( -6.209 0.000 0.277) 6.215 4.634 ( -9.743 0.000 -0.169) 9.744 4.859 ( 0.376 0.000 0.569) 0.682 4.876 ( -1.196 0.000 -0.158) 1.206 5.332 ( 3.792 0.000 -0.628) 3.844 5.336 ( 3.002 0.000 0.836) 3.116 5.364 ( 2.544 0.000 -2.130) 3.318 5.406 ( 0.082 0.000 -2.517) 2.518 5.680 ( 5.528 0.000 2.643) 6.128 5.767 ( 1.175 0.000 -1.434) 1.853 5.965 ( 7.332 0.000 1.764) 7.541 6.075 ( 1.390 0.000 0.093) 1.393 6.170 ( 0.519 0.000 -3.410) 3.449 6.233 ( -1.243 0.000 -2.089) 2.431 6.336 ( -1.330 0.000 0.479) 1.414 6.357 ( -2.137 0.000 -0.422) 2.178 7.293 ( -1.322 0.000 0.269) 1.349 7.304 ( -1.879 0.000 -0.213) 1.891 7.615 ( 2.657 0.000 0.128) 2.660 7.622 ( 2.409 0.000 -0.180) 2.415 7.824 ( -3.961 0.000 1.494) 4.233 7.848 ( -3.379 0.000 1.227) 3.595 8.135 ( 3.157 0.000 -1.818) 3.643 8.169 ( 3.975 0.000 -5.671) 6.925 8.408 ( 1.160 0.000 0.313) 1.201 8.524 ( -2.043 0.000 -3.581) 4.123 8.966 ( 4.913 0.000 -4.644) 6.761 9.075 ( 0.730 0.000 -6.932) 6.970 9.286 ( 0.942 0.000 2.332) 2.515 9.371 ( -1.870 0.000 -3.392) 3.873 9.722 ( -0.906 0.000 5.588) 5.661 9.774 ( -2.494 0.000 1.681) 3.008 10.364 ( -2.948 0.000 10.983) 11.371 10.410 ( -4.957 0.000 12.078) 13.055 10.843 ( -1.005 0.000 -4.682) 4.789 10.956 ( -6.803 0.000 -3.660) 7.726 ======================= Grid point 94 (32/84) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -12.501 0.000 2.607) 12.770 1.254 ( 12.501 0.000 2.607) 12.770 1.632 ( -13.230 0.000 -10.993) 17.201 1.632 ( 13.230 0.000 -10.993) 17.201 1.651 ( -9.488 0.000 1.699) 9.639 1.651 ( 9.488 0.000 1.699) 9.639 2.096 ( -2.070 0.000 -2.174) 3.002 2.096 ( 2.070 0.000 -2.174) 3.002 2.255 ( -10.921 0.000 -1.377) 11.007 2.255 ( 10.921 0.000 -1.377) 11.007 2.609 ( -7.433 0.000 0.811) 7.477 2.609 ( 7.433 0.000 0.811) 7.477 2.708 ( -17.449 0.000 13.685) 22.175 2.708 ( 17.449 0.000 13.685) 22.175 2.710 ( -4.850 0.000 -0.152) 4.853 2.710 ( 4.850 0.000 -0.152) 4.853 3.188 ( -12.472 0.000 -8.454) 15.067 3.188 ( 12.472 0.000 -8.454) 15.067 3.722 ( -3.925 0.000 1.793) 4.315 3.722 ( 3.925 0.000 1.793) 4.315 3.884 ( -5.831 0.000 2.208) 6.235 3.884 ( 5.831 0.000 2.208) 6.235 4.105 ( -10.516 0.000 -1.003) 10.564 4.105 ( 10.516 0.000 -1.003) 10.564 4.541 ( -1.153 0.000 1.091) 1.587 4.541 ( 1.153 0.000 1.091) 1.587 4.864 ( -0.221 0.000 0.261) 0.342 4.864 ( 0.221 0.000 0.261) 0.342 5.381 ( -0.888 0.000 -2.175) 2.350 5.381 ( 0.888 0.000 -2.175) 2.350 5.386 ( -1.899 0.000 -0.483) 1.959 5.386 ( 1.899 0.000 -0.483) 1.959 5.764 ( -2.145 0.000 0.249) 2.159 5.764 ( 2.145 0.000 0.249) 2.159 6.077 ( -2.848 0.000 2.114) 3.547 6.077 ( 2.848 0.000 2.114) 3.547 6.185 ( -2.458 0.000 -2.333) 3.388 6.185 ( 2.458 0.000 -2.333) 3.388 6.325 ( -0.588 0.000 -0.009) 0.588 6.325 ( 0.588 0.000 -0.009) 0.588 7.283 ( -0.280 0.000 0.031) 0.282 7.283 ( 0.280 0.000 0.031) 0.282 7.645 ( -0.205 0.000 -0.030) 0.208 7.645 ( 0.205 0.000 -0.030) 0.208 7.794 ( -1.100 0.000 2.070) 2.344 7.794 ( 1.100 0.000 2.070) 2.344 8.189 ( -1.671 0.000 -3.833) 4.182 8.189 ( 1.671 0.000 -3.833) 4.182 8.463 ( -3.752 0.000 0.285) 3.762 8.463 ( 3.752 0.000 0.285) 3.762 9.044 ( -3.120 0.000 -4.103) 5.154 9.044 ( 3.120 0.000 -4.103) 5.154 9.327 ( -2.540 0.000 -2.799) 3.780 9.327 ( 2.540 0.000 -2.799) 3.780 9.728 ( -1.620 0.000 4.229) 4.529 9.728 ( 1.620 0.000 4.229) 4.529 10.351 ( -1.431 0.000 9.695) 9.800 10.351 ( 1.431 0.000 9.695) 9.800 10.858 ( -2.797 0.000 -5.130) 5.843 10.858 ( 2.797 0.000 -5.130) 5.843 ======================= Grid point 98 (33/84) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 20.411 16.941) 26.526 0.796 ( 0.000 24.672 15.519) 29.147 1.384 ( 0.000 35.839 19.564) 40.831 1.464 ( 0.000 15.463 -7.860) 17.346 1.513 ( 0.000 10.206 -17.965) 20.661 2.000 ( 0.000 5.747 15.159) 16.212 2.124 ( 0.000 1.534 0.489) 1.610 2.179 ( 0.000 3.664 1.441) 3.937 2.201 ( 0.000 4.790 0.105) 4.791 2.413 ( 0.000 9.372 -4.521) 10.405 2.552 ( 0.000 14.303 -5.546) 15.341 2.672 ( 0.000 17.738 -1.534) 17.804 2.674 ( 0.000 19.804 -1.259) 19.844 2.841 ( 0.000 12.145 -28.846) 31.298 2.995 ( 0.000 5.890 3.234) 6.719 3.035 ( 0.000 8.620 -0.929) 8.670 3.081 ( 0.000 7.818 -0.640) 7.844 3.218 ( 0.000 1.558 -9.716) 9.840 3.356 ( 0.000 2.960 8.601) 9.096 3.635 ( 0.000 -4.254 -4.490) 6.185 3.837 ( 0.000 2.110 14.240) 14.395 3.922 ( 0.000 0.278 6.990) 6.996 4.009 ( 0.000 2.343 7.070) 7.448 4.348 ( 0.000 -4.122 -7.500) 8.558 4.821 ( 0.000 -4.609 3.605) 5.852 4.964 ( 0.000 -6.793 -2.852) 7.368 5.088 ( 0.000 -2.716 -0.192) 2.723 5.093 ( 0.000 -4.203 -0.359) 4.219 5.281 ( 0.000 9.956 1.051) 10.011 5.298 ( 0.000 6.294 0.069) 6.294 5.478 ( 0.000 1.183 2.787) 3.027 5.665 ( 0.000 1.470 -4.615) 4.844 5.725 ( 0.000 4.859 1.312) 5.033 5.779 ( 0.000 2.184 -0.957) 2.384 5.903 ( 0.000 42.623 10.920) 44.000 6.076 ( 0.000 -3.073 0.965) 3.221 6.132 ( 0.000 -3.376 -1.171) 3.573 6.528 ( 0.000 13.322 0.554) 13.333 6.555 ( 0.000 13.446 -0.544) 13.457 7.034 ( 0.000 37.014 -42.656) 56.476 7.435 ( 0.000 -0.627 -2.218) 2.305 7.443 ( 0.000 2.709 -1.300) 3.005 7.481 ( 0.000 -1.481 0.566) 1.586 7.628 ( 0.000 25.310 -25.665) 36.045 7.781 ( 0.000 2.462 5.891) 6.385 7.985 ( 0.000 -4.354 0.609) 4.397 8.027 ( 0.000 -4.217 -1.899) 4.625 8.089 ( 0.000 2.356 -10.366) 10.630 8.164 ( 0.000 -0.064 7.602) 7.603 8.542 ( 0.000 -1.592 -8.745) 8.889 8.840 ( 0.000 3.491 -3.182) 4.723 8.930 ( 0.000 -2.081 -2.818) 3.503 9.259 ( 0.000 -3.711 6.019) 7.071 9.393 ( 0.000 -3.306 -1.379) 3.582 9.730 ( 0.000 -3.989 1.222) 4.172 9.766 ( 0.000 -3.144 -0.479) 3.180 10.422 ( 0.000 -2.800 6.232) 6.832 10.759 ( 0.000 -4.432 -10.045) 10.980 10.778 ( 0.000 -25.368 25.641) 36.069 11.018 ( 0.000 -8.734 3.002) 9.236 ======================= Grid point 99 (34/84) ======================= q-point: ( 0.17 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 7.677 19.113 13.156) 24.440 0.918 ( 15.667 13.045 14.718) 25.145 1.419 ( -0.776 11.541 -14.661) 18.674 1.591 ( 7.627 9.883 -15.162) 19.640 1.696 ( 20.552 30.767 17.088) 40.755 1.870 ( -8.470 7.366 13.936) 17.894 2.135 ( -3.808 3.967 -3.235) 6.380 2.229 ( 4.838 2.945 3.501) 6.659 2.241 ( 4.980 3.883 -0.038) 6.315 2.387 ( -3.875 6.294 -4.491) 8.649 2.538 ( -0.371 13.417 -3.275) 13.815 2.597 ( -5.654 16.235 1.277) 17.238 2.685 ( 0.773 16.518 -4.078) 17.031 2.877 ( 3.592 16.024 -22.326) 27.715 2.951 ( -2.975 4.603 1.097) 5.590 3.033 ( -3.738 8.823 -0.950) 9.629 3.166 ( 11.574 5.162 0.106) 12.674 3.306 ( 5.902 4.447 -3.937) 8.373 3.340 ( -0.947 4.687 7.310) 8.735 3.617 ( -0.435 -2.424 -5.037) 5.607 3.884 ( 2.422 1.627 9.459) 9.899 3.933 ( 0.742 0.537 6.456) 6.521 4.019 ( 0.547 1.569 7.320) 7.507 4.332 ( -2.057 -4.690 -6.352) 8.160 4.731 ( -7.106 -2.790 2.682) 8.091 4.831 ( -10.098 -3.457 -1.675) 10.804 5.124 ( 2.627 -3.344 0.147) 4.255 5.161 ( 3.829 -7.048 -1.299) 8.126 5.240 ( -2.346 11.638 2.201) 12.075 5.332 ( 1.251 8.415 -2.238) 8.797 5.478 ( -0.455 4.719 2.437) 5.331 5.573 ( -6.860 12.533 -0.434) 14.294 5.732 ( 1.811 1.043 -1.189) 2.404 5.790 ( 0.975 6.845 -2.314) 7.291 5.923 ( 1.611 20.929 7.356) 22.243 6.081 ( 0.262 1.401 1.208) 1.868 6.139 ( 0.642 0.658 0.420) 1.011 6.510 ( -5.246 18.121 -3.873) 19.259 6.539 ( 0.891 14.063 0.751) 14.111 6.778 ( -15.504 39.182 -21.984) 47.528 7.348 ( -4.400 -0.235 0.117) 4.408 7.367 ( -6.791 1.956 -0.246) 7.071 7.528 ( 2.398 -1.782 0.472) 3.024 7.550 ( 2.970 -0.350 -0.461) 3.026 7.891 ( -3.694 -2.106 -0.030) 4.252 7.944 ( -2.813 3.506 -2.791) 5.291 8.064 ( 6.010 0.290 -2.747) 6.614 8.084 ( 4.518 0.567 -3.254) 5.596 8.333 ( 5.838 -2.773 -4.596) 7.931 8.531 ( -0.729 -1.383 -7.369) 7.533 8.885 ( 4.332 2.583 -3.855) 6.348 8.998 ( 5.263 -1.223 -6.484) 8.441 9.248 ( -0.930 -3.915 5.688) 6.967 9.377 ( -1.373 -2.783 -2.092) 3.743 9.714 ( -1.406 -3.379 2.661) 4.525 9.757 ( -1.190 -4.491 0.505) 4.673 10.400 ( -2.144 -2.584 6.011) 6.885 10.503 ( -12.959 -10.111 19.241) 25.306 10.827 ( -0.612 -5.735 -2.901) 6.456 10.987 ( -3.884 -9.132 -0.137) 9.925 ======================= Grid point 100 (35/84) ======================= q-point: ( 0.33 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 15.151 11.714 2.424) 19.304 1.277 ( 16.822 4.115 8.210) 19.165 1.472 ( 8.093 8.314 -6.567) 13.332 1.640 ( -9.198 7.254 5.445) 12.918 1.755 ( 5.004 6.961 -11.207) 14.110 1.951 ( -6.984 9.177 -2.535) 11.808 2.129 ( 6.623 14.849 2.353) 16.428 2.209 ( -6.377 2.902 -6.400) 9.489 2.293 ( 0.464 6.467 1.347) 6.623 2.431 ( 2.906 4.162 0.514) 5.103 2.533 ( 9.871 15.237 4.218) 18.639 2.556 ( 2.439 10.100 6.749) 12.390 2.742 ( 3.446 13.603 -4.154) 14.635 2.826 ( -5.834 5.543 6.132) 10.117 2.944 ( -4.491 11.669 -1.850) 12.640 3.054 ( 8.916 17.374 -13.588) 23.791 3.194 ( -7.361 10.135 4.460) 13.297 3.396 ( 0.495 6.879 -1.446) 7.047 3.505 ( 15.325 -0.494 0.448) 15.339 3.668 ( 6.318 -1.651 -5.776) 8.718 3.878 ( -2.669 3.777 7.683) 8.968 3.924 ( -1.822 1.185 3.623) 4.225 4.018 ( -0.858 0.423 4.957) 5.048 4.232 ( -8.618 -5.295 -3.033) 10.560 4.605 ( -4.884 -0.285 0.540) 4.922 4.630 ( -8.278 -0.004 -0.174) 8.280 5.170 ( 1.810 1.662 0.456) 2.499 5.209 ( -0.168 5.806 0.576) 5.837 5.219 ( 1.761 -4.567 -1.377) 5.085 5.291 ( -4.654 21.179 -2.189) 21.795 5.466 ( 1.064 8.124 1.989) 8.432 5.515 ( -0.561 5.063 -0.901) 5.173 5.789 ( 3.382 0.878 -0.373) 3.514 5.830 ( 2.722 7.509 -1.881) 8.205 5.957 ( 2.009 -0.408 3.223) 3.820 6.078 ( -1.349 -4.891 -2.172) 5.519 6.160 ( 2.164 14.149 3.632) 14.767 6.362 ( -7.657 22.430 -4.652) 24.153 6.554 ( 0.459 14.956 0.531) 14.972 6.606 ( -3.975 18.439 -2.323) 19.005 7.277 ( -2.545 -1.911 0.156) 3.186 7.278 ( -2.577 -2.467 0.120) 3.570 7.565 ( 0.844 -4.677 0.482) 4.777 7.577 ( -0.409 -4.569 -0.057) 4.588 7.832 ( -0.949 1.024 1.417) 1.989 7.879 ( -2.839 2.565 0.585) 3.871 8.153 ( 4.037 1.637 -1.938) 4.768 8.207 ( 4.445 3.425 -7.094) 9.045 8.385 ( 1.892 -2.141 0.790) 2.964 8.509 ( -1.831 -1.521 -3.773) 4.461 8.975 ( 4.072 0.530 -3.091) 5.139 9.075 ( 1.139 -0.095 -5.998) 6.106 9.242 ( 1.149 -4.245 2.309) 4.967 9.345 ( -1.898 -2.326 -4.343) 5.279 9.684 ( -1.292 -3.576 4.996) 6.278 9.718 ( -2.408 -5.410 2.707) 6.511 10.329 ( -3.332 -3.515 11.986) 12.928 10.359 ( -3.028 -4.084 8.185) 9.635 10.805 ( -0.865 -3.574 -4.814) 6.058 10.888 ( -5.061 -6.071 -3.618) 8.692 ======================= Grid point 101 (36/84) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -9.749 8.946 1.517) 13.319 1.341 ( 9.749 8.946 1.517) 13.319 1.635 ( -9.688 3.859 -6.756) 12.426 1.635 ( 9.688 3.859 -6.756) 12.426 1.769 ( -14.489 6.579 4.351) 16.497 1.769 ( 14.489 6.579 4.351) 16.497 2.138 ( -5.609 5.705 -9.523) 12.438 2.138 ( 5.609 5.705 -9.523) 12.438 2.368 ( -5.188 6.349 0.139) 8.200 2.368 ( 5.188 6.349 0.139) 8.200 2.661 ( -7.102 5.530 6.413) 11.052 2.661 ( 7.102 5.530 6.413) 11.052 2.844 ( -6.083 15.193 -0.368) 16.369 2.844 ( 6.083 15.193 -0.368) 16.369 2.904 ( -16.247 15.458 7.706) 23.713 2.904 ( 16.247 15.458 7.706) 23.713 3.295 ( -9.611 10.154 -7.727) 15.974 3.295 ( 9.611 10.154 -7.727) 15.975 3.738 ( -4.950 0.993 0.058) 5.049 3.738 ( 4.950 0.993 0.058) 5.049 3.878 ( -3.874 0.362 3.844) 5.469 3.878 ( 3.874 0.362 3.844) 5.469 4.034 ( -7.573 -2.006 -0.672) 7.863 4.034 ( 7.573 -2.006 -0.672) 7.863 4.549 ( -0.712 1.111 0.802) 1.544 4.549 ( 0.712 1.111 0.802) 1.544 5.202 ( -1.776 10.697 0.170) 10.845 5.202 ( 1.776 10.697 0.170) 10.845 5.235 ( -0.547 2.971 -1.169) 3.239 5.235 ( 0.547 2.971 -1.169) 3.239 5.497 ( -1.414 5.292 -0.961) 5.561 5.497 ( 1.414 5.292 -0.961) 5.561 5.847 ( -1.652 3.793 1.026) 4.263 5.847 ( 1.652 3.793 1.026) 4.263 6.019 ( -3.900 -6.515 -1.257) 7.697 6.019 ( 3.900 -6.515 -1.257) 7.697 6.235 ( -5.108 18.265 0.355) 18.969 6.235 ( 5.108 18.265 0.355) 18.969 6.562 ( -0.841 15.147 -0.146) 15.171 6.562 ( 0.841 15.147 -0.146) 15.171 7.252 ( -0.056 -2.926 0.029) 2.927 7.252 ( 0.056 -2.926 0.029) 2.927 7.567 ( -0.047 -6.604 0.616) 6.633 7.567 ( 0.047 -6.604 0.616) 6.633 7.840 ( -1.240 3.610 1.426) 4.074 7.840 ( 1.240 3.610 1.426) 4.074 8.221 ( -2.261 2.497 -4.440) 5.573 8.221 ( 2.261 2.497 -4.440) 5.573 8.451 ( -3.853 -1.101 -0.196) 4.011 8.451 ( 3.853 -1.101 -0.196) 4.011 9.045 ( -3.034 -0.020 -2.136) 3.710 9.045 ( 3.034 -0.020 -2.136) 3.710 9.294 ( -3.185 -3.044 -3.741) 5.780 9.294 ( 3.185 -3.044 -3.741) 5.780 9.679 ( -1.057 -4.679 4.618) 6.659 9.679 ( 1.057 -4.679 4.618) 6.659 10.315 ( -1.237 -3.325 8.446) 9.161 10.315 ( 1.237 -3.325 8.446) 9.161 10.814 ( -2.069 -4.126 -4.829) 6.680 10.814 ( 2.069 -4.126 -4.829) 6.680 ======================= Grid point 105 (37/84) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 25.383 5.761) 26.029 1.326 ( 0.000 25.524 8.372) 26.862 1.734 ( 0.000 15.196 -10.921) 18.713 1.744 ( 0.000 12.892 -17.604) 21.820 2.154 ( 0.000 10.103 10.454) 14.538 2.216 ( 0.000 26.096 8.699) 27.508 2.224 ( 0.000 5.620 6.822) 8.839 2.338 ( 0.000 11.021 4.861) 12.045 2.407 ( 0.000 25.650 8.285) 26.955 2.569 ( 0.000 5.478 -9.959) 11.367 2.753 ( 0.000 6.913 -10.028) 12.180 2.937 ( 0.000 9.620 4.128) 10.468 3.088 ( 0.000 3.025 8.270) 8.806 3.100 ( 0.000 12.195 2.120) 12.378 3.202 ( 0.000 22.144 -21.055) 30.556 3.276 ( 0.000 10.489 -1.026) 10.539 3.370 ( 0.000 18.122 -2.125) 18.247 3.417 ( 0.000 19.003 -1.580) 19.068 3.474 ( 0.000 15.180 -1.260) 15.232 3.588 ( 0.000 1.055 -7.976) 8.045 3.950 ( 0.000 8.271 9.866) 12.874 3.970 ( 0.000 3.647 6.991) 7.885 4.101 ( 0.000 6.285 3.850) 7.371 4.306 ( 0.000 0.028 -5.317) 5.318 4.702 ( 0.000 -6.564 3.895) 7.633 4.833 ( 0.000 -5.145 -1.691) 5.416 4.985 ( 0.000 -5.687 0.267) 5.693 5.015 ( 0.000 -3.458 -1.309) 3.697 5.446 ( 0.000 -0.808 2.391) 2.524 5.456 ( 0.000 8.380 0.278) 8.385 5.492 ( 0.000 9.085 1.137) 9.156 5.643 ( 0.000 -2.515 -3.645) 4.428 5.817 ( 0.000 3.750 0.575) 3.794 5.876 ( 0.000 6.078 -2.336) 6.512 6.018 ( 0.000 -2.106 1.189) 2.419 6.024 ( 0.000 -5.503 0.559) 5.531 6.757 ( 0.000 32.134 12.169) 34.361 6.832 ( 0.000 14.912 0.871) 14.937 6.873 ( 0.000 16.035 -0.663) 16.049 7.252 ( 0.000 1.379 -6.065) 6.220 7.368 ( 0.000 -4.360 1.222) 4.528 7.385 ( 0.000 -6.066 0.599) 6.095 7.563 ( 0.000 7.508 0.599) 7.532 7.829 ( 0.000 -0.110 3.190) 3.192 7.861 ( 0.000 -5.312 2.282) 5.781 7.869 ( 0.000 -7.479 -3.220) 8.142 8.041 ( 0.000 6.814 -7.259) 9.956 8.093 ( 0.000 -0.276 -21.784) 21.786 8.190 ( 0.000 2.998 6.675) 7.317 8.491 ( 0.000 -3.771 -5.096) 6.339 8.885 ( 0.000 -1.864 -1.519) 2.404 8.946 ( 0.000 5.145 -10.264) 11.481 9.155 ( 0.000 -5.871 5.792) 8.247 9.301 ( 0.000 -5.522 -1.624) 5.756 9.633 ( 0.000 -5.003 1.536) 5.233 9.706 ( 0.000 -2.280 -3.129) 3.872 10.323 ( 0.000 -6.653 8.884) 11.099 10.462 ( 0.000 -7.738 16.983) 18.663 10.619 ( 0.000 -8.919 -7.217) 11.473 10.838 ( 0.000 -7.958 -2.601) 8.373 ======================= Grid point 106 (38/84) ======================= q-point: ( 0.17 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.278 23.939 8.427) 25.481 1.319 ( 5.230 23.618 6.325) 25.003 1.706 ( -1.688 15.726 -9.776) 18.594 1.805 ( 5.709 11.980 -16.755) 21.374 2.027 ( -9.056 9.812 8.061) 15.597 2.252 ( -0.885 11.592 1.163) 11.684 2.282 ( 3.283 6.927 6.476) 10.034 2.374 ( 2.698 9.760 4.225) 10.972 2.469 ( -8.071 3.297 -10.231) 13.442 2.536 ( 11.508 31.651 7.979) 34.610 2.764 ( 0.645 9.703 -3.287) 10.265 2.873 ( -8.600 9.269 6.524) 14.229 2.981 ( 1.911 8.639 2.392) 9.166 3.096 ( -6.219 9.109 3.984) 11.727 3.267 ( 2.651 14.973 -5.561) 16.191 3.286 ( 4.027 20.127 -10.483) 23.048 3.431 ( 4.959 11.747 -3.915) 13.338 3.480 ( 5.330 17.017 -3.751) 18.222 3.513 ( 3.162 14.811 -0.072) 15.145 3.608 ( 1.667 3.061 -6.283) 7.185 3.961 ( 0.461 4.969 8.441) 9.806 3.989 ( 1.819 6.235 7.297) 9.769 4.108 ( 0.471 6.709 3.355) 7.516 4.290 ( -2.052 0.910 -4.389) 4.930 4.661 ( -3.340 -3.863 3.211) 6.032 4.767 ( -5.657 -2.095 -1.289) 6.169 5.008 ( 1.557 -6.998 -0.314) 7.176 5.021 ( 0.544 -4.844 -1.062) 4.989 5.450 ( 1.032 5.408 0.790) 5.562 5.496 ( 2.077 3.234 3.764) 5.380 5.502 ( 2.136 8.034 -1.451) 8.439 5.668 ( 2.204 -1.528 -3.809) 4.659 5.776 ( -3.286 4.722 1.913) 6.062 5.884 ( 0.332 4.880 -2.935) 5.705 5.978 ( -3.065 -3.257 1.585) 4.745 6.013 ( -1.535 -4.028 0.174) 4.315 6.744 ( -0.752 30.103 7.776) 31.100 6.850 ( 1.306 16.127 3.197) 16.493 6.851 ( -1.926 15.207 -0.701) 15.345 7.195 ( -4.562 3.734 -5.763) 8.244 7.305 ( -4.769 -3.441 1.969) 6.202 7.392 ( -3.097 -2.130 -0.799) 3.843 7.540 ( -11.749 3.585 -0.673) 12.302 7.548 ( -6.401 0.098 -0.758) 6.447 7.815 ( 0.544 -3.389 1.143) 3.618 7.958 ( -0.148 -0.689 -0.887) 1.133 8.110 ( 4.218 1.832 -3.229) 5.619 8.162 ( 7.203 6.189 -12.035) 15.330 8.256 ( 4.163 -3.093 1.873) 5.514 8.484 ( -0.668 -3.269 -4.964) 5.981 8.916 ( 2.916 -0.111 -1.702) 3.378 8.988 ( 3.700 0.473 -8.077) 8.897 9.145 ( -1.028 -5.568 5.943) 8.208 9.302 ( -0.065 -4.471 -2.919) 5.340 9.618 ( -1.470 -5.866 1.845) 6.323 9.665 ( -3.728 -3.512 -0.055) 5.122 10.296 ( -2.990 -7.047 11.058) 13.449 10.350 ( -5.872 -4.481 8.271) 11.090 10.687 ( 2.770 -8.126 -4.002) 9.472 10.808 ( -2.719 -7.681 -2.880) 8.642 ======================= Grid point 107 (39/84) ======================= q-point: ( 0.33 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 9.865 17.752 5.175) 20.958 1.503 ( 10.572 16.883 4.718) 20.472 1.719 ( 4.191 14.969 -4.760) 16.257 1.840 ( -8.544 10.973 3.210) 14.273 1.918 ( 1.458 10.772 -11.143) 15.567 2.177 ( -3.455 11.545 -0.739) 12.074 2.219 ( -12.659 0.879 -4.408) 13.434 2.366 ( 3.901 6.409 -0.823) 7.548 2.429 ( 0.082 7.711 -0.386) 7.721 2.575 ( -6.570 7.099 -3.733) 10.368 2.757 ( -1.590 8.773 8.888) 12.590 2.942 ( -5.746 9.130 8.068) 13.471 2.979 ( 15.505 24.777 6.579) 29.960 3.072 ( 6.197 13.432 -2.696) 15.036 3.263 ( -2.633 17.094 -2.269) 17.444 3.407 ( 5.969 14.774 -7.498) 17.611 3.472 ( -1.957 16.208 1.602) 16.404 3.577 ( 2.235 6.072 -5.453) 8.462 3.605 ( 6.224 9.608 -1.367) 11.529 3.677 ( 5.891 5.335 -5.546) 9.692 3.957 ( -0.590 5.645 7.369) 9.301 4.016 ( 0.275 9.491 5.790) 11.121 4.107 ( -0.721 8.358 1.276) 8.486 4.208 ( -5.949 4.406 -1.697) 7.595 4.604 ( -1.932 0.264 1.566) 2.501 4.650 ( -5.088 2.341 -0.328) 5.610 5.027 ( 0.767 -7.054 -1.153) 7.188 5.040 ( 0.860 -7.833 -1.251) 7.979 5.488 ( 2.765 9.288 0.761) 9.720 5.530 ( 2.286 5.172 -0.301) 5.663 5.568 ( 2.691 3.147 0.572) 4.180 5.658 ( -4.264 7.480 -0.947) 8.662 5.765 ( 3.173 -1.972 1.382) 3.984 5.877 ( -1.318 -0.002 -2.319) 2.667 5.923 ( -1.609 -1.276 1.130) 2.344 5.970 ( -2.506 -3.511 -0.286) 4.322 6.749 ( 1.791 27.619 3.261) 27.868 6.817 ( -0.921 14.607 -0.599) 14.649 6.862 ( -0.583 17.107 2.945) 17.368 7.049 ( -11.504 21.921 -3.997) 25.077 7.209 ( -4.458 -2.874 0.930) 5.385 7.221 ( -4.629 -2.772 0.101) 5.396 7.436 ( -2.371 -7.836 0.555) 8.206 7.444 ( -4.422 -7.951 0.091) 9.098 7.876 ( 3.835 3.646 1.310) 5.451 7.949 ( -0.259 4.872 0.588) 4.914 8.199 ( 4.105 2.823 -2.604) 5.622 8.262 ( 2.073 -0.199 -9.354) 9.583 8.340 ( 4.601 -0.942 1.191) 4.845 8.464 ( -1.413 -2.706 -4.366) 5.327 8.980 ( 3.095 0.166 -0.305) 3.114 9.067 ( 2.206 -0.801 -3.793) 4.460 9.128 ( 1.143 -6.238 3.800) 7.394 9.286 ( -1.977 -3.399 -5.009) 6.368 9.571 ( -2.695 -8.410 4.880) 10.090 9.595 ( -2.710 -4.535 2.384) 5.796 10.235 ( -1.711 -4.810 9.040) 10.382 10.275 ( -2.699 -4.223 4.410) 6.676 10.706 ( -0.180 -6.066 -4.128) 7.340 10.748 ( -2.864 -6.814 -3.459) 8.161 ======================= Grid point 108 (40/84) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -6.666 14.719 0.261) 16.160 1.594 ( 6.666 14.719 0.261) 16.160 1.793 ( -8.186 9.505 -1.367) 12.618 1.793 ( 8.186 9.505 -1.367) 12.618 1.907 ( -13.878 9.716 3.914) 17.388 1.907 ( 13.878 9.716 3.914) 17.388 2.309 ( -9.662 9.550 -11.586) 17.855 2.309 ( 9.662 9.550 -11.586) 17.855 2.459 ( -3.995 3.491 -0.312) 5.314 2.459 ( 3.995 3.491 -0.312) 5.314 2.808 ( -5.547 7.852 10.282) 14.077 2.808 ( 5.547 7.852 10.282) 14.077 3.176 ( -5.145 15.610 -4.254) 16.978 3.176 ( 5.145 15.610 -4.254) 16.978 3.305 ( -12.071 21.102 4.511) 24.726 3.305 ( 12.071 21.102 4.511) 24.726 3.543 ( -4.593 11.462 -3.340) 12.792 3.543 ( 4.593 11.462 -3.340) 12.792 3.725 ( -3.117 -1.975 -3.531) 5.108 3.725 ( 3.117 -1.975 -3.531) 5.108 3.983 ( -3.444 12.024 5.614) 13.710 3.983 ( 3.444 12.024 5.614) 13.710 4.107 ( -2.404 9.434 -0.476) 9.747 4.107 ( 2.404 9.434 -0.476) 9.747 4.590 ( -0.834 3.043 0.693) 3.230 4.590 ( 0.834 3.043 0.693) 3.230 5.043 ( -0.538 -8.090 -1.596) 8.263 5.043 ( 0.538 -8.090 -1.596) 8.263 5.555 ( -3.049 11.796 0.879) 12.216 5.555 ( 3.049 11.796 0.879) 12.216 5.584 ( -0.722 2.095 -1.142) 2.493 5.584 ( 0.722 2.095 -1.142) 2.493 5.833 ( -2.990 -3.315 1.578) 4.735 5.833 ( 2.990 -3.315 1.578) 4.735 5.925 ( -1.615 -1.555 -1.251) 2.567 5.925 ( 1.615 -1.555 -1.251) 2.567 6.828 ( -2.168 17.157 0.506) 17.301 6.828 ( 2.168 17.157 0.506) 17.301 6.840 ( -7.501 24.725 0.342) 25.840 6.840 ( 7.501 24.725 0.342) 25.840 7.178 ( -0.501 -3.465 -0.041) 3.501 7.178 ( 0.501 -3.465 -0.041) 3.501 7.402 ( -0.417 -9.229 0.866) 9.279 7.402 ( 0.417 -9.229 0.866) 9.279 7.934 ( -1.723 6.024 1.584) 6.463 7.934 ( 1.723 6.024 1.584) 6.463 8.260 ( -1.796 0.938 -4.781) 5.193 8.260 ( 1.796 0.938 -4.781) 5.193 8.420 ( -3.135 -1.877 -2.736) 4.565 8.420 ( 3.135 -1.877 -2.736) 4.565 9.039 ( -2.823 -0.615 1.798) 3.403 9.039 ( 2.823 -0.615 1.798) 3.403 9.214 ( -4.945 -4.509 -3.792) 7.692 9.214 ( 4.945 -4.509 -3.792) 7.692 9.554 ( -1.053 -6.960 4.196) 8.195 9.554 ( 1.053 -6.960 4.196) 8.195 10.234 ( -1.277 -4.213 5.559) 7.091 10.234 ( 1.277 -4.213 5.559) 7.091 10.709 ( -0.947 -5.808 -3.903) 7.061 10.709 ( 0.947 -5.808 -3.903) 7.061 ======================= Grid point 112 (41/84) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 23.152 0.925) 23.170 1.774 ( 0.000 18.028 3.861) 18.437 2.032 ( 0.000 14.014 -4.699) 14.781 2.051 ( 0.000 16.388 -10.757) 19.603 2.304 ( 0.000 4.600 5.462) 7.142 2.307 ( 0.000 2.882 3.568) 4.587 2.458 ( 0.000 7.795 0.131) 7.796 2.548 ( 0.000 8.369 2.021) 8.610 2.672 ( 0.000 5.742 -6.197) 8.448 2.831 ( 0.000 2.034 -10.252) 10.452 3.066 ( 0.000 1.842 8.053) 8.261 3.128 ( 0.000 1.272 8.103) 8.202 3.205 ( 0.000 2.523 6.313) 6.799 3.226 ( 0.000 39.967 8.770) 40.918 3.470 ( 0.000 8.032 -2.374) 8.376 3.501 ( 0.000 5.051 -3.239) 6.001 3.550 ( 0.000 2.810 -10.495) 10.865 3.779 ( 0.000 25.833 -11.200) 28.156 3.892 ( 0.000 12.761 3.546) 13.244 3.985 ( 0.000 18.871 -1.753) 18.952 4.088 ( 0.000 13.826 2.541) 14.058 4.117 ( 0.000 10.530 1.237) 10.602 4.249 ( 0.000 8.569 4.158) 9.525 4.386 ( 0.000 9.624 -1.108) 9.687 4.582 ( 0.000 -4.178 5.022) 6.533 4.773 ( 0.000 -0.413 -3.708) 3.731 4.910 ( 0.000 -0.454 1.394) 1.466 4.983 ( 0.000 0.787 -1.925) 2.079 5.398 ( 0.000 -2.675 3.185) 4.159 5.543 ( 0.000 -2.486 -3.626) 4.397 5.638 ( 0.000 3.727 1.846) 4.159 5.695 ( 0.000 8.623 -1.142) 8.699 5.864 ( 0.000 0.502 1.138) 1.244 5.932 ( 0.000 -1.969 3.711) 4.201 5.951 ( 0.000 1.810 -2.275) 2.907 6.051 ( 0.000 5.213 -1.961) 5.569 7.086 ( 0.000 9.398 1.278) 9.485 7.118 ( 0.000 5.374 2.040) 5.748 7.128 ( 0.000 5.817 -0.179) 5.820 7.200 ( 0.000 -5.126 -1.922) 5.474 7.269 ( 0.000 -1.892 2.240) 2.932 7.304 ( 0.000 -2.096 0.858) 2.265 7.659 ( 0.000 -6.610 -0.416) 6.623 7.679 ( 0.000 -9.795 -0.632) 9.816 7.729 ( 0.000 2.559 0.339) 2.581 7.925 ( 0.000 6.368 7.906) 10.152 7.926 ( 0.000 -8.714 -6.285) 10.744 8.268 ( 0.000 7.300 -9.907) 12.306 8.290 ( 0.000 6.831 2.890) 7.418 8.402 ( 0.000 -2.550 -1.273) 2.850 8.873 ( 0.000 1.028 0.742) 1.268 8.986 ( 0.000 -1.950 0.467) 2.005 9.076 ( 0.000 -0.277 -2.744) 2.758 9.183 ( 0.000 -5.733 -1.996) 6.071 9.550 ( 0.000 -2.892 2.043) 3.541 9.666 ( 0.000 -2.254 -4.413) 4.956 10.206 ( 0.000 -4.273 7.271) 8.434 10.357 ( 0.000 -4.008 9.855) 10.639 10.434 ( 0.000 -8.551 -4.732) 9.773 10.692 ( 0.000 -6.893 -5.014) 8.524 ======================= Grid point 113 (42/84) ======================= q-point: ( 0.17 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -1.021 19.525 3.974) 19.952 1.778 ( 3.392 20.852 1.423) 21.174 2.018 ( -0.859 14.654 -4.294) 15.294 2.081 ( 2.177 13.301 -8.610) 15.993 2.211 ( -4.577 8.909 1.721) 10.163 2.354 ( -0.014 0.931 1.295) 1.595 2.434 ( -2.097 7.469 0.459) 7.771 2.524 ( -4.658 5.385 -3.701) 8.024 2.617 ( -0.923 10.431 1.266) 10.548 2.791 ( -5.538 0.466 -0.640) 5.595 3.012 ( -5.422 5.330 3.022) 8.182 3.099 ( 3.094 3.039 5.350) 6.886 3.212 ( -4.433 2.869 1.629) 5.526 3.321 ( 8.398 33.323 6.315) 34.940 3.468 ( 3.501 5.071 -3.305) 6.993 3.548 ( 3.012 6.946 -1.966) 7.823 3.603 ( 3.289 2.677 -6.049) 7.387 3.791 ( -0.074 20.067 -5.397) 20.780 3.845 ( -2.421 9.623 -0.268) 9.926 3.869 ( -7.291 11.333 -0.491) 13.485 4.162 ( 4.024 17.380 3.630) 18.205 4.215 ( 7.167 17.150 0.676) 18.599 4.287 ( 3.643 11.926 2.377) 12.694 4.403 ( 1.426 10.717 -1.490) 10.914 4.590 ( 0.804 -2.370 4.783) 5.398 4.765 ( -0.919 1.831 -3.079) 3.698 4.905 ( -0.412 -1.952 0.898) 2.187 4.968 ( -1.422 -0.028 -1.733) 2.241 5.419 ( 2.069 -3.066 2.786) 4.631 5.559 ( 1.401 -2.656 -3.833) 4.869 5.652 ( 1.280 3.617 1.792) 4.235 5.705 ( 1.045 7.021 -0.519) 7.118 5.841 ( -2.226 0.588 0.897) 2.471 5.897 ( -2.917 -0.462 1.579) 3.349 5.949 ( -0.405 1.745 -0.027) 1.792 6.044 ( -0.742 5.404 -2.077) 5.837 7.032 ( -5.178 3.465 0.373) 6.242 7.041 ( -6.548 0.415 0.207) 6.564 7.125 ( 0.636 4.641 1.824) 5.027 7.185 ( -0.151 0.952 -1.205) 1.543 7.262 ( -0.634 0.652 2.994) 3.129 7.327 ( 0.088 -3.676 0.231) 3.684 7.524 ( -9.843 -3.000 -0.138) 10.291 7.543 ( -10.192 -2.975 -0.142) 10.618 7.830 ( 7.640 3.677 0.274) 8.483 7.977 ( 6.167 0.976 -0.274) 6.249 8.047 ( 6.441 -4.363 0.409) 7.790 8.285 ( -0.015 2.804 2.331) 3.647 8.302 ( 2.332 7.792 -7.942) 11.368 8.413 ( 0.957 -2.297 -3.045) 3.933 8.918 ( 3.996 0.977 -0.094) 4.115 8.989 ( 0.167 -0.625 -0.864) 1.079 9.062 ( -0.688 -1.822 0.730) 2.080 9.204 ( 1.440 -4.883 -3.052) 5.936 9.510 ( -4.272 -4.272 3.297) 6.883 9.613 ( -4.400 -2.116 -2.141) 5.331 10.187 ( -1.678 -3.606 6.764) 7.847 10.262 ( -4.791 -4.217 4.141) 7.608 10.523 ( 4.232 -7.476 -1.368) 8.699 10.669 ( -2.078 -6.495 -4.444) 8.139 ======================= Grid point 114 (43/84) ======================= q-point: ( 0.33 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 3.333 16.348 4.313) 17.232 1.867 ( 4.302 16.719 -0.797) 17.282 2.019 ( -2.000 11.599 1.556) 11.873 2.060 ( 0.258 12.594 -3.108) 12.974 2.147 ( -7.522 7.021 -1.947) 10.472 2.297 ( -0.739 10.748 -7.510) 13.133 2.385 ( -1.875 8.613 1.492) 8.940 2.480 ( 1.325 4.895 -0.142) 5.073 2.588 ( -3.551 7.071 0.013) 7.913 2.679 ( -5.625 4.420 -1.982) 7.423 2.915 ( -2.442 7.099 5.913) 9.557 3.069 ( -5.953 4.545 8.344) 11.212 3.239 ( 7.631 4.791 -4.539) 10.089 3.486 ( 3.953 12.505 -5.516) 14.227 3.523 ( 3.142 8.787 -2.181) 9.584 3.609 ( 0.213 1.997 -1.711) 2.638 3.656 ( 3.233 7.579 2.508) 8.613 3.729 ( -2.739 7.288 1.206) 7.879 3.769 ( -2.627 9.562 0.035) 9.916 3.835 ( -0.479 12.804 -0.624) 12.828 4.245 ( 4.624 18.281 3.124) 19.114 4.341 ( 5.006 20.475 -0.462) 21.083 4.359 ( 2.344 17.470 1.138) 17.663 4.421 ( -0.133 15.175 -0.880) 15.201 4.620 ( 2.407 1.687 3.371) 4.472 4.734 ( -2.193 5.858 -1.320) 6.393 4.900 ( 0.025 -4.588 -0.521) 4.617 4.935 ( -1.669 -2.366 -1.483) 3.253 5.477 ( 3.555 -3.855 1.477) 5.448 5.582 ( 0.316 -3.014 -3.732) 4.807 5.682 ( 1.468 1.852 1.692) 2.906 5.733 ( 1.397 2.124 0.559) 2.603 5.785 ( -2.810 1.737 1.102) 3.482 5.836 ( -2.728 2.567 1.266) 3.954 5.944 ( 0.349 3.560 0.049) 3.578 6.019 ( -1.812 5.483 -2.086) 6.139 6.922 ( -4.343 -3.506 0.326) 5.592 6.929 ( -4.359 -1.820 0.057) 4.724 7.143 ( 1.145 1.551 1.516) 2.452 7.194 ( 0.429 4.013 -0.821) 4.118 7.244 ( -1.586 -3.388 2.195) 4.338 7.271 ( -4.624 -5.881 0.284) 7.486 7.346 ( -6.904 6.740 0.283) 9.652 7.377 ( -4.899 6.521 0.170) 8.158 7.977 ( 6.321 4.154 0.692) 7.595 8.087 ( 2.478 8.034 5.045) 9.805 8.167 ( 6.689 -4.760 -5.517) 9.891 8.288 ( 0.398 1.216 0.343) 1.325 8.344 ( 1.685 1.170 -4.444) 4.895 8.426 ( -0.283 1.353 -7.778) 7.900 8.990 ( 1.761 0.629 0.118) 1.874 9.013 ( 3.489 -3.347 1.746) 5.141 9.058 ( 0.086 -0.977 1.523) 1.812 9.208 ( -2.178 -4.030 -3.248) 5.616 9.414 ( -2.789 -5.991 6.113) 9.002 9.526 ( -4.337 -2.023 -0.740) 4.842 10.157 ( -0.861 -2.712 4.553) 5.369 10.192 ( -2.495 -3.757 2.562) 5.187 10.574 ( 1.211 -6.428 -2.112) 6.873 10.623 ( -2.212 -5.808 -3.344) 7.058 ======================= Grid point 115 (44/84) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -7.729 11.891 0.640) 14.197 1.878 ( 7.729 11.891 0.640) 14.197 1.971 ( -5.415 8.864 0.407) 10.395 1.971 ( 5.415 8.864 0.407) 10.395 2.185 ( -8.221 15.285 1.312) 17.405 2.185 ( 8.221 15.285 1.312) 17.405 2.496 ( -7.650 7.939 -4.192) 11.795 2.496 ( 7.650 7.939 -4.192) 11.795 2.534 ( -3.893 5.090 -4.941) 8.092 2.534 ( 3.893 5.090 -4.941) 8.092 2.955 ( -4.953 6.613 10.199) 13.125 2.955 ( 4.953 6.613 10.199) 13.125 3.405 ( -8.040 5.537 -6.914) 11.962 3.405 ( 8.040 5.537 -6.914) 11.962 3.590 ( -1.109 -1.885 -2.498) 3.320 3.590 ( 1.109 -1.885 -2.498) 3.320 3.704 ( -2.881 11.644 0.787) 12.021 3.704 ( 2.881 11.644 0.787) 12.021 3.791 ( -3.934 11.599 3.748) 12.809 3.791 ( 3.934 11.599 3.748) 12.809 4.338 ( -4.020 18.587 1.344) 19.064 4.338 ( 4.020 18.587 1.344) 19.064 4.406 ( -1.540 19.702 -0.183) 19.763 4.406 ( 1.540 19.702 -0.183) 19.763 4.679 ( -3.134 6.078 0.887) 6.896 4.679 ( 3.134 6.078 0.887) 6.896 4.909 ( -0.898 -4.724 -1.419) 5.014 4.909 ( 0.898 -4.724 -1.419) 5.014 5.550 ( -3.331 -4.133 -0.899) 5.384 5.550 ( 3.331 -4.133 -0.899) 5.384 5.715 ( -2.217 -0.764 -0.176) 2.351 5.715 ( 2.217 -0.764 -0.176) 2.351 5.789 ( -2.244 4.405 2.732) 5.648 5.789 ( 2.244 4.405 2.732) 5.648 5.974 ( -2.391 5.112 -1.465) 5.831 5.974 ( 2.391 5.112 -1.465) 5.831 6.881 ( -0.242 -4.338 0.213) 4.350 6.881 ( 0.242 -4.338 0.213) 4.350 7.170 ( -1.841 -1.130 1.200) 2.471 7.170 ( 1.841 -1.130 1.200) 2.471 7.218 ( -0.992 -3.022 -0.792) 3.278 7.218 ( 0.992 -3.022 -0.792) 3.278 7.311 ( -2.009 11.474 1.257) 11.717 7.311 ( 2.009 11.474 1.257) 11.717 8.072 ( -3.119 4.762 3.017) 6.443 8.072 ( 3.119 4.762 3.017) 6.443 8.275 ( -2.743 1.213 -2.562) 3.945 8.275 ( 2.743 1.213 -2.562) 3.945 8.388 ( -2.965 0.681 -7.368) 7.971 8.388 ( 2.965 0.681 -7.368) 7.971 9.026 ( -1.733 -0.618 3.591) 4.035 9.026 ( 1.733 -0.618 3.591) 4.035 9.117 ( -5.320 -5.025 -0.201) 7.320 9.117 ( 5.320 -5.025 -0.201) 7.320 9.440 ( -3.903 -3.300 1.228) 5.256 9.440 ( 3.903 -3.300 1.228) 5.256 10.158 ( -0.915 -3.045 2.900) 4.304 10.158 ( 0.915 -3.045 2.900) 4.304 10.591 ( -0.962 -5.660 -2.625) 6.313 10.591 ( 0.962 -5.660 -2.625) 6.313 ======================= Grid point 119 (45/84) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 11.569 1.639) 11.685 2.125 ( 0.000 14.721 -2.667) 14.961 2.214 ( 0.000 -1.191 2.645) 2.901 2.304 ( 0.000 10.755 -1.077) 10.809 2.329 ( 0.000 0.857 1.949) 2.129 2.489 ( 0.000 14.741 -9.679) 17.634 2.578 ( 0.000 3.743 -0.094) 3.744 2.657 ( 0.000 2.656 -3.641) 4.507 2.796 ( 0.000 4.704 0.061) 4.704 2.832 ( 0.000 -2.014 -2.637) 3.318 3.021 ( 0.000 -5.895 8.468) 10.318 3.117 ( 0.000 -1.270 9.691) 9.774 3.241 ( 0.000 0.018 1.145) 1.146 3.474 ( 0.000 -5.284 -11.282) 12.459 3.563 ( 0.000 2.945 -2.306) 3.740 3.570 ( 0.000 2.912 -1.571) 3.309 3.905 ( 0.000 -2.157 4.428) 4.925 3.990 ( 0.000 -3.961 -1.080) 4.105 4.047 ( 0.000 31.697 6.719) 32.401 4.308 ( 0.000 21.171 -4.793) 21.706 4.401 ( 0.000 10.080 2.293) 10.338 4.473 ( 0.000 8.852 4.978) 10.155 4.481 ( 0.000 13.919 -1.061) 13.960 4.662 ( 0.000 17.327 3.278) 17.635 4.676 ( 0.000 16.967 -4.251) 17.492 4.849 ( 0.000 8.762 -5.226) 10.202 4.966 ( 0.000 4.698 1.756) 5.016 5.029 ( 0.000 2.910 -0.625) 2.976 5.345 ( 0.000 -2.444 2.544) 3.528 5.459 ( 0.000 -4.860 -2.564) 5.495 5.678 ( 0.000 0.402 1.597) 1.647 5.735 ( 0.000 -2.536 -0.757) 2.646 5.935 ( 0.000 3.398 2.899) 4.466 5.957 ( 0.000 5.944 3.184) 6.743 6.027 ( 0.000 5.179 -1.828) 5.492 6.144 ( 0.000 3.210 -4.188) 5.277 7.036 ( 0.000 -6.026 0.155) 6.028 7.070 ( 0.000 -5.379 -1.218) 5.515 7.168 ( 0.000 -2.147 1.914) 2.876 7.213 ( 0.000 -1.119 -0.732) 1.338 7.289 ( 0.000 3.521 2.542) 4.342 7.331 ( 0.000 3.596 0.224) 3.603 7.505 ( 0.000 -6.842 0.478) 6.859 7.527 ( 0.000 -4.749 -0.474) 4.772 7.759 ( 0.000 0.683 -3.665) 3.728 7.762 ( 0.000 -6.743 -2.379) 7.150 8.005 ( 0.000 0.016 7.264) 7.264 8.204 ( 0.000 -7.711 -2.297) 8.046 8.465 ( 0.000 10.023 0.531) 10.037 8.539 ( 0.000 10.064 -3.346) 10.606 8.925 ( 0.000 3.626 2.062) 4.171 8.943 ( 0.000 -0.824 3.406) 3.504 9.084 ( 0.000 -3.695 -1.763) 4.094 9.100 ( 0.000 1.547 -4.524) 4.781 9.506 ( 0.000 -2.024 1.808) 2.714 9.594 ( 0.000 -5.088 -2.296) 5.582 10.152 ( 0.000 -1.208 2.884) 3.127 10.285 ( 0.000 -3.114 7.365) 7.996 10.288 ( 0.000 -5.793 -3.063) 6.553 10.551 ( 0.000 -6.989 -4.692) 8.418 ======================= Grid point 120 (46/84) ======================= q-point: ( 0.17 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -1.482 11.766 2.011) 12.028 2.130 ( 0.165 12.034 -2.520) 12.296 2.203 ( -1.065 1.080 1.226) 1.950 2.292 ( -2.173 3.229 -2.401) 4.573 2.315 ( -0.425 8.551 3.427) 9.222 2.514 ( 2.229 12.933 -9.459) 16.178 2.554 ( -1.824 5.073 -0.355) 5.402 2.615 ( -3.729 2.930 -2.023) 5.156 2.772 ( -4.574 -1.697 2.481) 5.474 2.793 ( 0.019 5.204 0.518) 5.229 3.062 ( 0.939 -2.630 1.161) 3.025 3.107 ( 1.089 0.053 10.525) 10.581 3.245 ( -0.106 -0.034 -3.047) 3.049 3.450 ( -1.448 -4.836 -7.764) 9.261 3.558 ( 1.499 1.944 -0.655) 2.541 3.613 ( 0.139 -0.449 -1.646) 1.712 3.864 ( -2.395 1.191 3.347) 4.285 3.942 ( -2.797 0.083 -0.982) 2.966 4.041 ( -0.422 26.845 6.364) 27.592 4.247 ( -5.119 17.817 -2.017) 18.647 4.466 ( 5.031 10.810 1.153) 11.979 4.529 ( 5.254 9.621 2.954) 11.353 4.572 ( 6.587 9.720 -0.926) 11.778 4.693 ( 2.218 17.889 -3.150) 18.299 4.715 ( 4.201 17.116 1.967) 17.733 4.848 ( -0.188 8.163 -3.774) 8.995 4.956 ( -0.798 5.916 1.355) 6.121 5.008 ( -2.006 3.527 -0.333) 4.071 5.359 ( 1.435 -2.552 2.466) 3.828 5.478 ( 1.726 -4.321 -3.018) 5.546 5.666 ( -1.301 -0.817 1.911) 2.452 5.721 ( -1.378 -2.814 -0.575) 3.185 5.931 ( -0.539 5.773 1.764) 6.060 5.948 ( -0.806 4.765 2.941) 5.657 6.027 ( 0.247 5.161 -1.045) 5.271 6.140 ( -0.553 3.375 -3.791) 5.106 6.941 ( -7.635 -5.938 0.664) 9.695 6.980 ( -7.295 -4.742 -1.008) 8.759 7.138 ( -3.193 -3.844 1.882) 5.339 7.196 ( -2.926 -4.211 -1.002) 5.225 7.276 ( -0.841 3.129 1.932) 3.773 7.320 ( -1.286 2.662 -0.146) 2.960 7.441 ( -3.294 -3.999 0.950) 5.267 7.487 ( -3.146 -2.303 -0.970) 4.017 7.857 ( 6.827 -1.784 -2.650) 7.537 7.875 ( 9.662 -4.463 -2.785) 11.002 8.079 ( 6.783 0.316 6.762) 9.583 8.227 ( 1.570 -5.784 -0.454) 6.010 8.466 ( -5.471 7.490 -1.587) 9.411 8.493 ( 2.766 8.656 -2.413) 9.402 8.939 ( 1.116 0.814 2.187) 2.587 9.003 ( 3.904 2.409 1.546) 4.841 9.056 ( -1.911 -0.003 -3.067) 3.614 9.126 ( 2.016 -1.828 -3.504) 4.437 9.442 ( -5.912 -2.967 4.380) 7.934 9.564 ( -2.528 -2.930 -1.936) 4.327 10.142 ( -0.903 -1.084 2.380) 2.767 10.189 ( -3.882 -2.668 2.326) 5.253 10.389 ( 4.323 -5.758 0.657) 7.230 10.537 ( -1.317 -6.564 -3.972) 7.784 ======================= Grid point 121 (47/84) ======================= q-point: ( 0.33 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.356 10.785 2.353) 11.045 2.122 ( -0.996 6.944 -1.746) 7.229 2.169 ( -2.611 6.352 -1.148) 6.963 2.201 ( -5.238 1.831 -1.048) 5.647 2.347 ( 3.346 11.322 3.458) 12.303 2.504 ( -2.517 4.150 0.965) 4.949 2.555 ( -0.991 2.850 0.809) 3.124 2.596 ( 4.607 12.690 -9.429) 16.467 2.672 ( -4.955 2.120 1.341) 5.554 2.784 ( -2.130 3.933 -3.162) 5.477 3.045 ( -0.230 4.625 4.707) 6.603 3.122 ( -1.557 0.151 7.203) 7.371 3.298 ( 6.222 0.695 -6.347) 8.915 3.432 ( -0.127 -6.012 -3.155) 6.791 3.546 ( -4.739 -4.956 0.611) 6.884 3.565 ( -3.324 0.045 -3.748) 5.010 3.861 ( 2.725 7.499 3.156) 8.580 3.941 ( 2.120 5.958 -1.017) 6.405 4.033 ( -0.379 17.644 4.681) 18.259 4.131 ( -6.077 13.935 0.610) 15.214 4.567 ( 4.782 10.697 -0.102) 11.718 4.627 ( 3.605 8.347 2.000) 9.309 4.680 ( 3.385 9.054 -3.583) 10.309 4.756 ( 2.850 9.903 -2.705) 10.654 4.790 ( 2.439 16.282 2.561) 16.662 4.850 ( 1.251 8.976 0.184) 9.064 4.946 ( -0.168 10.591 0.572) 10.608 4.964 ( -1.947 7.302 0.187) 7.560 5.402 ( 2.870 -2.776 1.684) 4.334 5.508 ( 0.371 -3.218 -3.681) 4.903 5.631 ( -1.490 -3.181 2.737) 4.454 5.685 ( -2.118 -3.268 -0.418) 3.917 5.917 ( -0.483 7.372 1.496) 7.538 5.935 ( -0.526 4.780 1.835) 5.147 6.042 ( 1.264 4.973 -0.534) 5.159 6.118 ( -1.650 3.739 -2.810) 4.959 6.802 ( -5.127 -6.211 0.831) 8.096 6.838 ( -6.049 -4.936 -0.740) 7.842 7.059 ( -3.869 -6.904 1.226) 8.009 7.091 ( -5.797 -7.760 -0.241) 9.689 7.272 ( 0.282 3.682 0.728) 3.764 7.296 ( -0.912 3.036 -0.278) 3.183 7.410 ( -0.431 -1.078 0.868) 1.449 7.435 ( -1.792 0.422 -0.133) 1.846 7.984 ( 5.781 -2.300 -0.690) 6.260 8.050 ( 6.226 -3.369 -1.710) 7.283 8.206 ( 1.288 -1.975 0.787) 2.486 8.278 ( 5.057 -3.957 0.075) 6.422 8.370 ( -0.574 8.654 1.869) 8.872 8.572 ( 3.353 8.096 -6.642) 10.995 8.948 ( -0.897 -3.075 1.627) 3.592 9.012 ( -2.675 -2.453 -2.480) 4.396 9.041 ( 1.019 2.617 2.448) 3.725 9.152 ( -1.682 -0.669 -1.267) 2.209 9.354 ( 0.126 -0.364 5.627) 5.641 9.503 ( -3.626 -0.803 -1.926) 4.184 10.123 ( -0.856 -1.026 1.586) 2.074 10.134 ( -1.724 -1.530 1.638) 2.828 10.451 ( 1.965 -5.784 -0.634) 6.141 10.506 ( -1.588 -5.774 -2.561) 6.513 ======================= Grid point 122 (48/84) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -3.646 6.648 1.545) 7.738 2.060 ( 3.646 6.648 1.545) 7.738 2.146 ( -1.109 7.517 -1.967) 7.849 2.146 ( 1.109 7.517 -1.967) 7.849 2.430 ( -4.394 6.890 2.994) 8.702 2.430 ( 4.394 6.890 2.994) 8.702 2.584 ( -3.271 3.556 0.325) 4.842 2.584 ( 3.271 3.556 0.325) 4.842 2.702 ( -5.343 7.770 -7.989) 12.359 2.702 ( 5.343 7.770 -7.989) 12.359 3.075 ( -2.593 4.122 6.741) 8.316 3.075 ( 2.593 4.122 6.741) 8.316 3.438 ( -5.328 -5.170 -2.407) 7.805 3.438 ( 5.328 -5.170 -2.407) 7.805 3.468 ( -2.522 -1.064 -3.417) 4.378 3.468 ( 2.522 -1.064 -3.417) 4.378 3.945 ( -3.601 10.942 0.905) 11.555 3.945 ( 3.601 10.942 0.905) 11.555 4.038 ( -2.107 10.375 2.862) 10.967 4.038 ( 2.107 10.375 2.862) 10.967 4.641 ( -2.091 9.562 -0.528) 9.802 4.641 ( 2.091 9.562 -0.528) 9.802 4.736 ( -2.622 7.740 -1.844) 8.377 4.736 ( 2.622 7.740 -1.844) 8.377 4.854 ( -2.128 9.112 1.566) 9.488 4.854 ( 2.128 9.112 1.566) 9.488 4.945 ( -0.246 14.008 0.518) 14.020 4.945 ( 0.246 14.008 0.518) 14.020 5.469 ( -3.518 -2.933 -0.570) 4.616 5.469 ( 3.518 -2.933 -0.570) 4.616 5.641 ( -2.060 -3.652 0.484) 4.221 5.641 ( 2.060 -3.652 0.484) 4.221 5.921 ( -0.754 6.206 1.808) 6.508 5.921 ( 0.754 6.206 1.808) 6.508 6.078 ( -2.181 4.313 -1.600) 5.091 6.078 ( 2.181 4.313 -1.600) 5.091 6.762 ( -1.181 -5.761 0.131) 5.882 6.762 ( 1.181 -5.761 0.131) 5.882 7.021 ( -0.703 -7.960 0.284) 7.996 7.021 ( 0.703 -7.960 0.284) 7.996 7.281 ( -0.621 3.439 0.182) 3.500 7.281 ( 0.621 3.439 0.182) 3.500 7.412 ( -0.629 0.317 0.506) 0.867 7.412 ( 0.629 0.317 0.506) 0.867 8.079 ( -3.070 -1.530 1.010) 3.576 8.079 ( 3.070 -1.530 1.010) 3.576 8.238 ( -3.598 -3.593 -2.216) 5.547 8.238 ( 3.598 -3.593 -2.216) 5.547 8.531 ( -8.202 9.240 -3.176) 12.757 8.531 ( 8.202 9.240 -3.176) 12.757 8.950 ( -2.480 -6.853 0.429) 7.301 8.950 ( 2.480 -6.853 0.429) 7.301 9.086 ( -3.297 2.550 3.399) 5.379 9.086 ( 3.297 2.550 3.399) 5.379 9.421 ( -4.469 0.501 -0.496) 4.525 9.421 ( 4.469 0.501 -0.496) 4.525 10.115 ( -0.213 -1.091 1.358) 1.755 10.115 ( 0.213 -1.091 1.358) 1.755 10.479 ( -1.175 -5.475 -1.502) 5.798 10.479 ( 1.175 -5.475 -1.502) 5.798 ======================= Grid point 126 (49/84) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.000 -3.143 1.730) 3.587 2.218 ( 0.000 -3.751 -1.302) 3.971 2.257 ( 0.000 6.430 1.785) 6.673 2.368 ( 0.000 5.773 -4.012) 7.030 2.519 ( 0.000 3.268 3.754) 4.977 2.604 ( 0.000 -0.215 -0.719) 0.750 2.643 ( 0.000 -4.432 -3.486) 5.639 2.703 ( 0.000 1.216 -6.164) 6.282 2.770 ( 0.000 -1.502 0.002) 1.502 2.805 ( 0.000 0.478 -1.564) 1.635 2.847 ( 0.000 -8.411 5.198) 9.887 3.077 ( 0.000 -14.188 -5.107) 15.079 3.209 ( 0.000 10.165 9.218) 13.722 3.448 ( 0.000 3.254 -2.898) 4.357 3.623 ( 0.000 3.674 -0.775) 3.755 3.639 ( 0.000 3.803 -0.926) 3.914 3.887 ( 0.000 0.139 1.658) 1.664 3.918 ( 0.000 -2.242 -0.153) 2.247 4.456 ( 0.000 9.847 4.030) 10.640 4.507 ( 0.000 4.217 2.870) 5.101 4.626 ( 0.000 8.018 -3.193) 8.630 4.632 ( 0.000 5.259 -2.666) 5.896 4.816 ( 0.000 19.990 3.640) 20.318 4.924 ( 0.000 0.319 -0.828) 0.887 5.004 ( 0.000 8.170 -0.921) 8.222 5.052 ( 0.000 12.034 -4.062) 12.701 5.073 ( 0.000 9.936 2.977) 10.372 5.159 ( 0.000 10.730 -0.221) 10.733 5.313 ( 0.000 -0.026 1.761) 1.761 5.370 ( 0.000 -2.998 -0.841) 3.113 5.690 ( 0.000 1.051 0.732) 1.281 5.708 ( 0.000 0.170 0.203) 0.264 5.980 ( 0.000 2.373 3.383) 4.133 6.095 ( 0.000 5.783 0.592) 5.813 6.123 ( 0.000 3.608 -2.006) 4.128 6.172 ( 0.000 -0.235 -3.445) 3.453 6.945 ( 0.000 -2.597 -0.309) 2.616 6.982 ( 0.000 -3.201 -1.810) 3.677 7.097 ( 0.000 -3.982 2.062) 4.484 7.138 ( 0.000 -4.548 0.074) 4.549 7.372 ( 0.000 0.721 0.660) 0.977 7.377 ( 0.000 2.850 0.643) 2.921 7.415 ( 0.000 -1.227 1.893) 2.256 7.473 ( 0.000 -0.872 -1.017) 1.339 7.666 ( 0.000 -2.629 0.307) 2.646 7.767 ( 0.000 -0.191 -4.785) 4.789 7.950 ( 0.000 -4.221 4.408) 6.104 8.047 ( 0.000 -7.143 -0.897) 7.199 8.678 ( 0.000 10.807 0.586) 10.823 8.731 ( 0.000 8.705 -1.739) 8.877 8.965 ( 0.000 2.775 1.844) 3.332 8.996 ( 0.000 2.306 2.124) 3.135 9.039 ( 0.000 -0.259 -1.387) 1.411 9.123 ( 0.000 0.497 -3.663) 3.696 9.445 ( 0.000 -4.309 0.702) 4.366 9.462 ( 0.000 -7.599 0.165) 7.601 10.143 ( 0.000 0.006 0.297) 0.297 10.199 ( 0.000 -3.080 -1.569) 3.457 10.234 ( 0.000 -1.648 5.048) 5.310 10.412 ( 0.000 -6.597 -3.251) 7.354 ======================= Grid point 127 (50/84) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 1.018 -1.914 1.298) 2.527 2.213 ( -0.749 -0.850 -0.930) 1.466 2.245 ( -0.964 3.974 1.484) 4.350 2.339 ( -2.477 5.095 -3.672) 6.752 2.485 ( -2.813 1.270 4.018) 5.066 2.587 ( -1.886 -0.346 -0.275) 1.937 2.633 ( -0.681 0.174 -1.449) 1.610 2.709 ( 0.283 -0.112 -4.150) 4.161 2.749 ( -0.721 0.546 -1.566) 1.809 2.803 ( -0.246 0.368 -2.558) 2.596 2.888 ( 2.818 -10.674 2.480) 11.315 3.061 ( -1.442 -13.058 -4.440) 13.868 3.242 ( 3.152 9.372 7.324) 12.305 3.447 ( 0.174 4.166 -1.787) 4.537 3.617 ( -0.939 4.134 0.347) 4.254 3.647 ( -0.595 3.709 -0.841) 3.850 3.894 ( 2.126 1.246 1.191) 2.737 3.927 ( 1.419 -0.683 -0.331) 1.609 4.409 ( -4.485 10.341 3.933) 11.938 4.537 ( -3.757 8.046 -0.425) 8.890 4.562 ( 1.077 5.409 1.093) 5.623 4.679 ( 3.904 3.152 -3.171) 5.936 4.825 ( 0.032 12.538 1.336) 12.609 4.901 ( -2.256 1.409 -0.785) 2.773 5.029 ( 2.234 8.540 -0.198) 8.830 5.047 ( -0.162 10.183 -0.775) 10.214 5.113 ( 3.484 11.124 0.696) 11.677 5.166 ( 1.125 10.524 0.263) 10.588 5.339 ( 2.392 1.434 1.914) 3.382 5.412 ( 3.472 -1.260 -1.361) 3.937 5.662 ( -2.722 0.689 1.180) 3.045 5.691 ( -1.650 -0.029 -0.136) 1.656 5.994 ( 1.300 2.843 2.852) 4.232 6.077 ( -1.596 5.474 0.331) 5.712 6.121 ( -0.174 3.597 -1.351) 3.846 6.172 ( -0.113 -0.129 -3.327) 3.332 6.853 ( -7.730 -2.399 0.384) 8.102 6.902 ( -6.737 -2.658 -1.772) 7.456 7.039 ( -5.249 -4.948 1.653) 7.401 7.080 ( -6.038 -6.055 -0.025) 8.551 7.348 ( -1.596 2.006 0.385) 2.592 7.350 ( -1.497 0.763 0.354) 1.717 7.387 ( -1.192 -0.636 1.902) 2.333 7.456 ( -1.644 -0.797 -1.280) 2.231 7.776 ( 8.437 -2.545 0.328) 8.818 7.860 ( 7.726 -0.599 -4.249) 8.838 8.028 ( 6.948 -3.841 4.071) 8.922 8.106 ( 4.660 -5.605 -0.361) 7.298 8.638 ( -6.461 8.619 -0.071) 10.772 8.664 ( -0.917 8.357 -0.997) 8.466 8.973 ( -0.537 2.265 1.641) 2.848 9.002 ( -1.366 -2.659 0.517) 3.034 9.087 ( 3.431 3.539 -1.141) 5.059 9.135 ( 2.116 1.523 -4.295) 5.024 9.371 ( -3.993 -4.053 4.628) 7.334 9.486 ( 0.195 -4.865 -1.551) 5.110 10.129 ( -1.163 -0.258 0.828) 1.451 10.164 ( -1.706 0.123 0.378) 1.752 10.286 ( 3.055 -4.410 1.742) 5.640 10.404 ( -0.693 -6.382 -2.739) 6.980 ======================= Grid point 128 (51/84) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.267 1.480 0.282) 1.530 2.186 ( -1.515 4.561 0.256) 4.813 2.227 ( -0.144 1.581 1.090) 1.926 2.297 ( -1.511 4.522 -2.819) 5.539 2.436 ( -1.386 -1.259 3.636) 4.090 2.524 ( -3.961 -2.249 -0.286) 4.564 2.637 ( 0.957 4.096 0.361) 4.222 2.695 ( -1.444 -0.238 0.328) 1.500 2.758 ( 1.179 1.701 -5.511) 5.887 2.797 ( -0.465 0.075 -3.947) 3.975 2.939 ( 2.279 -12.219 0.008) 12.429 3.025 ( -2.076 -12.307 -3.489) 12.959 3.324 ( 4.818 8.279 5.102) 10.853 3.469 ( 2.176 5.641 -0.698) 6.086 3.547 ( -5.261 4.941 2.799) 7.741 3.617 ( -2.699 4.471 -1.791) 5.521 3.985 ( 6.520 4.342 0.990) 7.896 4.010 ( 6.947 1.698 -0.174) 7.154 4.292 ( -6.918 8.631 3.144) 11.500 4.376 ( -9.397 8.857 -0.625) 12.929 4.656 ( 5.162 2.701 1.155) 5.939 4.747 ( 1.941 1.896 -2.346) 3.587 4.811 ( -0.922 4.751 -1.336) 5.020 4.849 ( -2.494 2.484 -1.677) 3.899 5.057 ( 1.539 9.854 1.998) 10.172 5.079 ( 2.122 10.571 0.889) 10.819 5.180 ( 2.625 8.952 1.368) 9.428 5.205 ( 2.258 10.712 0.261) 10.950 5.398 ( 3.246 3.239 1.343) 4.778 5.479 ( 2.378 0.901 -2.538) 3.593 5.594 ( -3.171 -0.180 2.276) 3.907 5.647 ( -2.633 -0.529 -0.510) 2.733 6.020 ( 0.959 3.860 1.554) 4.270 6.044 ( -1.348 5.046 0.487) 5.246 6.121 ( 0.284 2.590 -0.918) 2.762 6.162 ( -1.031 0.596 -2.467) 2.739 6.710 ( -5.055 -2.457 0.986) 5.706 6.764 ( -6.191 -2.142 -1.294) 6.677 6.924 ( -5.300 -6.201 0.567) 8.177 6.940 ( -6.379 -6.991 0.145) 9.464 7.329 ( -0.403 0.917 0.320) 1.051 7.332 ( -0.437 1.632 0.214) 1.703 7.376 ( 0.065 -1.447 1.237) 1.905 7.420 ( -1.727 -1.152 -0.744) 2.206 7.938 ( 7.513 -1.221 0.564) 7.633 8.024 ( 7.531 -0.254 -3.699) 8.394 8.152 ( 1.427 -2.572 1.198) 3.176 8.182 ( 3.658 -4.473 0.867) 5.843 8.549 ( -0.190 8.008 2.150) 8.294 8.687 ( 3.501 3.570 -3.729) 6.238 8.892 ( -7.558 -2.062 0.497) 7.850 8.939 ( -5.126 -4.067 -0.842) 6.597 9.129 ( 2.102 5.369 0.573) 5.795 9.179 ( 0.548 2.883 -0.075) 2.936 9.355 ( 2.660 -0.350 3.277) 4.235 9.471 ( -1.646 -2.728 -1.888) 3.703 10.112 ( -0.395 0.425 1.009) 1.164 10.135 ( -1.273 1.129 0.255) 1.721 10.336 ( 1.902 -5.547 0.251) 5.869 10.387 ( -1.028 -5.968 -1.687) 6.286 ======================= Grid point 129 (52/84) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.260 4.745 0.509) 4.780 2.170 ( 0.261 4.745 0.509) 4.780 2.259 ( -2.378 3.699 -0.451) 4.421 2.259 ( 2.378 3.699 -0.451) 4.421 2.451 ( -2.772 -2.980 0.997) 4.190 2.451 ( 2.772 -2.980 0.997) 4.190 2.663 ( -1.580 2.538 0.817) 3.100 2.663 ( 1.580 2.538 0.817) 3.100 2.782 ( -1.068 0.555 -5.167) 5.305 2.782 ( 1.068 0.555 -5.167) 5.305 2.982 ( -2.151 -12.309 -1.798) 12.624 2.982 ( 2.151 -12.309 -1.798) 12.624 3.428 ( -5.516 6.792 4.003) 9.623 3.428 ( 5.516 6.792 4.003) 9.623 3.543 ( -4.061 5.421 -1.392) 6.916 3.543 ( 4.061 5.421 -1.392) 6.916 4.129 ( -5.326 6.847 0.824) 8.714 4.129 ( 5.326 6.847 0.824) 8.714 4.191 ( -6.774 5.014 0.981) 8.485 4.191 ( 6.774 5.014 0.981) 8.485 4.737 ( -2.560 2.280 0.284) 3.440 4.737 ( 2.560 2.280 0.284) 3.440 4.812 ( -1.079 2.427 -3.180) 4.144 4.812 ( 1.079 2.427 -3.180) 4.144 5.091 ( -1.086 11.061 2.577) 11.409 5.091 ( 1.086 11.061 2.577) 11.409 5.220 ( -1.075 8.945 0.772) 9.042 5.220 ( 1.075 8.945 0.772) 9.042 5.462 ( -3.113 2.803 -0.444) 4.212 5.462 ( 3.113 2.803 -0.444) 4.212 5.593 ( -2.443 -0.874 0.338) 2.617 5.593 ( 2.443 -0.874 0.338) 2.617 6.030 ( -0.282 4.567 0.826) 4.649 6.030 ( 0.282 4.567 0.826) 4.649 6.136 ( -1.232 1.436 -1.363) 2.331 6.136 ( 1.232 1.436 -1.363) 2.331 6.680 ( -1.828 -2.087 0.244) 2.785 6.680 ( 1.828 -2.087 0.244) 2.785 6.868 ( -0.382 -7.064 -0.118) 7.075 6.868 ( 0.382 -7.064 -0.118) 7.075 7.327 ( -0.103 1.205 0.384) 1.269 7.327 ( 0.103 1.205 0.384) 1.269 7.390 ( -1.228 -1.633 0.161) 2.049 7.390 ( 1.228 -1.633 0.161) 2.049 8.068 ( -4.796 0.642 0.825) 4.909 8.068 ( 4.796 0.642 0.825) 4.909 8.174 ( -3.722 -2.502 -2.200) 4.995 8.174 ( 3.722 -2.502 -2.200) 4.995 8.666 ( -9.323 3.799 0.910) 10.108 8.666 ( 9.323 3.799 0.910) 10.108 8.825 ( -5.312 -4.556 -1.305) 7.119 8.825 ( 5.312 -4.556 -1.305) 7.119 9.168 ( -1.427 4.968 1.920) 5.514 9.168 ( 1.427 4.968 1.920) 5.514 9.423 ( -3.173 -0.917 -0.708) 3.378 9.423 ( 3.173 -0.917 -0.708) 3.378 10.115 ( -0.665 1.058 0.604) 1.389 10.115 ( 0.665 1.058 0.604) 1.389 10.365 ( -1.160 -5.754 -0.728) 5.915 10.365 ( 1.160 -5.754 -0.728) 5.915 ======================= Grid point 133 (53/84) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 -0.189 0.958) 0.976 2.143 ( 0.000 -2.974 -0.388) 2.999 2.356 ( 0.000 4.244 0.692) 4.300 2.399 ( 0.000 -1.410 -1.236) 1.875 2.483 ( 0.000 -7.465 0.336) 7.472 2.498 ( 0.000 -4.687 -0.280) 4.695 2.549 ( 0.000 -0.671 1.172) 1.350 2.607 ( 0.000 -4.816 -1.283) 4.984 2.794 ( 0.000 0.998 -0.252) 1.029 2.820 ( 0.000 3.450 -1.374) 3.714 2.850 ( 0.000 0.866 -2.657) 2.794 2.856 ( 0.000 -5.919 -2.648) 6.485 3.416 ( 0.000 8.187 3.929) 9.082 3.499 ( 0.000 0.045 0.187) 0.192 3.694 ( 0.000 2.429 -0.552) 2.491 3.702 ( 0.000 1.707 -0.670) 1.834 3.894 ( 0.000 0.333 1.171) 1.217 3.897 ( 0.000 -0.213 0.832) 0.859 4.582 ( 0.000 5.329 0.618) 5.365 4.616 ( 0.000 4.938 1.880) 5.284 4.653 ( 0.000 -0.864 -2.090) 2.262 4.711 ( 0.000 -2.784 -3.531) 4.496 4.876 ( 0.000 0.474 3.692) 3.722 4.941 ( 0.000 -3.574 0.114) 3.576 5.175 ( 0.000 7.596 0.513) 7.614 5.216 ( 0.000 2.553 -1.780) 3.112 5.278 ( 0.000 6.396 0.992) 6.473 5.312 ( 0.000 3.183 0.579) 3.235 5.360 ( 0.000 2.924 0.720) 3.011 5.361 ( 0.000 1.587 0.934) 1.841 5.715 ( 0.000 1.059 0.516) 1.178 5.721 ( 0.000 0.470 0.325) 0.571 6.041 ( 0.000 3.706 0.856) 3.803 6.118 ( 0.000 -3.329 -2.431) 4.122 6.178 ( 0.000 2.233 -0.395) 2.268 6.187 ( 0.000 1.118 -0.728) 1.334 6.926 ( 0.000 0.324 -1.721) 1.751 6.940 ( 0.000 -1.068 -2.159) 2.409 7.034 ( 0.000 -1.484 2.338) 2.770 7.054 ( 0.000 -3.166 1.300) 3.422 7.374 ( 0.000 -0.360 1.356) 1.403 7.374 ( 0.000 -0.214 1.147) 1.166 7.458 ( 0.000 1.943 -0.620) 2.040 7.472 ( 0.000 0.160 -1.236) 1.247 7.659 ( 0.000 1.997 1.151) 2.305 7.729 ( 0.000 -3.693 -1.870) 4.139 7.892 ( 0.000 -0.403 1.398) 1.455 7.931 ( 0.000 -3.982 -0.434) 4.006 8.883 ( 0.000 6.064 0.177) 6.067 8.891 ( 0.000 9.321 -0.268) 9.325 8.978 ( 0.000 -2.636 1.402) 2.986 9.015 ( 0.000 -0.456 -0.068) 0.461 9.089 ( 0.000 3.218 -0.605) 3.274 9.120 ( 0.000 -0.154 -2.505) 2.510 9.319 ( 0.000 -4.714 1.168) 4.857 9.340 ( 0.000 -5.181 -0.006) 5.181 10.145 ( 0.000 0.170 0.038) 0.174 10.157 ( 0.000 -1.186 -0.383) 1.246 10.229 ( 0.000 1.431 1.683) 2.209 10.294 ( 0.000 -4.745 -1.205) 4.895 ======================= Grid point 134 (54/84) ======================= q-point: ( 0.17 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 2.550 -0.049 0.735) 2.654 2.160 ( 1.742 -2.224 -0.210) 2.833 2.342 ( -1.322 5.079 0.773) 5.305 2.379 ( -1.458 1.015 -0.801) 1.949 2.491 ( -0.396 -7.743 -0.030) 7.753 2.494 ( -0.829 -1.738 -0.467) 1.981 2.526 ( -1.107 -5.117 1.350) 5.407 2.586 ( -1.912 -5.926 -1.300) 6.361 2.790 ( -0.315 1.818 -0.976) 2.087 2.818 ( -0.281 2.368 -1.443) 2.788 2.844 ( -0.432 -0.222 -2.670) 2.714 2.853 ( -0.362 -4.622 -3.102) 5.579 3.438 ( 2.078 7.554 3.886) 8.745 3.510 ( 1.184 0.472 0.665) 1.438 3.698 ( -0.346 3.046 0.336) 3.084 3.715 ( 0.271 1.723 -0.183) 1.754 3.911 ( 3.100 0.729 0.718) 3.265 3.922 ( 2.877 -0.181 0.312) 2.899 4.549 ( -4.239 4.646 0.916) 6.356 4.610 ( -4.546 -0.740 -1.567) 4.866 4.638 ( 2.571 4.294 1.326) 5.178 4.724 ( 1.548 -1.955 -3.238) 4.087 4.877 ( -0.125 1.737 3.209) 3.652 4.933 ( -1.298 -1.610 0.115) 2.071 5.150 ( -0.404 3.883 -0.172) 3.908 5.173 ( -2.056 1.620 -1.770) 3.160 5.293 ( 1.229 5.602 1.333) 5.888 5.316 ( 0.716 3.446 0.790) 3.608 5.414 ( 4.520 4.029 1.554) 6.251 5.438 ( 4.943 1.847 0.620) 5.313 5.686 ( -2.768 1.266 0.517) 3.087 5.699 ( -2.166 0.140 -0.037) 2.171 6.060 ( 1.687 3.627 0.674) 4.057 6.129 ( 0.863 -2.488 -2.256) 3.467 6.160 ( -1.530 1.907 -0.328) 2.467 6.172 ( -1.328 0.774 -0.850) 1.757 6.843 ( -7.303 1.089 -1.020) 7.454 6.869 ( -6.256 -1.039 -2.269) 6.735 6.960 ( -6.447 -2.291 1.841) 7.085 6.974 ( -7.192 -3.697 1.417) 8.210 7.347 ( -1.472 0.056 1.220) 1.913 7.354 ( -1.310 -0.552 0.951) 1.710 7.421 ( -2.396 1.997 -0.344) 3.138 7.445 ( -2.247 -0.562 -1.262) 2.638 7.766 ( 8.576 1.487 0.860) 8.746 7.821 ( 8.004 -3.174 -1.611) 8.760 7.979 ( 7.115 -0.204 1.281) 7.232 8.014 ( 6.645 -3.310 -0.343) 7.432 8.800 ( -6.034 7.203 0.513) 9.410 8.835 ( -4.750 8.017 -0.966) 9.369 8.927 ( -3.730 -4.569 0.959) 5.976 8.973 ( -4.380 -3.792 -0.989) 5.877 9.163 ( 4.784 3.532 -0.109) 5.948 9.183 ( 4.785 2.769 -1.602) 5.756 9.301 ( -0.153 -1.499 2.538) 2.952 9.370 ( 1.509 -6.190 -1.010) 6.450 10.139 ( -0.095 1.340 0.505) 1.435 10.171 ( 0.778 -0.660 -1.108) 1.506 10.227 ( -0.108 -0.050 1.764) 1.768 10.287 ( -0.621 -4.865 -1.105) 5.027 ======================= Grid point 135 (55/84) ======================= q-point: ( 0.33 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 4.078 0.798 0.278) 4.165 2.212 ( 3.678 -0.018 0.201) 3.684 2.310 ( -1.686 6.183 0.944) 6.478 2.356 ( -0.680 3.425 -1.053) 3.647 2.428 ( -4.438 0.611 0.559) 4.514 2.457 ( -3.181 -2.878 -0.403) 4.308 2.535 ( 0.794 -11.662 0.374) 11.695 2.555 ( -0.735 -10.550 -0.332) 10.581 2.786 ( 0.045 2.185 -2.103) 3.033 2.808 ( -0.686 1.527 -2.031) 2.632 2.835 ( -0.483 -0.727 -3.049) 3.172 2.841 ( -0.770 -3.870 -3.724) 5.426 3.495 ( 3.510 6.448 3.640) 8.195 3.551 ( 2.893 1.124 1.173) 3.318 3.655 ( -3.609 4.302 2.132) 6.006 3.690 ( -2.701 1.330 0.376) 3.034 4.033 ( 8.437 1.159 0.245) 8.520 4.040 ( 9.051 0.859 -0.109) 9.092 4.419 ( -8.547 4.265 1.169) 9.623 4.464 ( -9.612 0.330 -0.763) 9.648 4.712 ( 4.172 2.872 0.418) 5.082 4.764 ( 2.340 -1.467 -2.285) 3.584 4.853 ( -2.414 2.358 0.721) 3.451 4.887 ( -2.906 -0.029 -1.075) 3.099 5.180 ( 3.092 2.660 0.836) 4.163 5.195 ( 3.948 1.222 -0.297) 4.144 5.305 ( -0.528 4.373 2.839) 5.240 5.332 ( 0.156 2.140 0.926) 2.337 5.497 ( 3.424 4.260 1.077) 5.571 5.525 ( 3.542 1.617 0.215) 3.900 5.616 ( -3.672 1.916 0.203) 4.147 5.645 ( -2.928 -0.441 -0.659) 3.033 6.093 ( 1.202 3.316 0.128) 3.529 6.121 ( -1.363 2.489 -0.574) 2.895 6.146 ( -0.814 -0.548 -0.957) 1.371 6.149 ( -0.044 -1.272 -1.257) 1.789 6.704 ( -5.012 1.587 0.200) 5.261 6.742 ( -5.180 -0.844 -1.827) 5.558 6.815 ( -7.050 -3.533 1.327) 7.997 6.828 ( -6.451 -3.706 0.612) 7.465 7.333 ( -0.025 0.139 0.824) 0.836 7.342 ( 0.112 -0.643 0.476) 0.808 7.376 ( -1.971 1.129 0.125) 2.275 7.399 ( -2.261 -1.035 -0.720) 2.589 7.946 ( 8.866 1.922 0.514) 9.087 7.999 ( 8.806 -2.556 -2.104) 9.408 8.112 ( 4.723 -0.665 1.021) 4.878 8.124 ( 3.025 -1.514 0.211) 3.389 8.699 ( -3.061 6.753 0.586) 7.438 8.752 ( -2.440 3.119 -1.681) 4.302 8.837 ( -5.724 -3.883 0.528) 6.937 8.853 ( -6.323 -4.027 0.184) 7.499 9.241 ( 2.920 4.839 0.282) 5.659 9.261 ( 2.266 5.019 -0.649) 5.545 9.327 ( 2.564 -2.195 1.571) 3.723 9.388 ( 0.208 -5.276 -1.166) 5.407 10.145 ( 0.572 2.763 0.595) 2.884 10.175 ( -0.441 2.506 -0.792) 2.665 10.232 ( 0.690 -4.081 0.929) 4.242 10.271 ( -0.979 -5.149 -0.803) 5.302 ======================= Grid point 136 (56/84) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -2.336 4.940 0.784) 5.521 2.271 ( 2.336 4.940 0.784) 5.521 2.310 ( -4.786 1.427 -0.428) 5.012 2.310 ( 4.786 1.427 -0.428) 5.012 2.392 ( -2.196 -0.324 -0.240) 2.232 2.392 ( 2.196 -0.324 -0.240) 2.233 2.547 ( -0.402 -12.388 0.381) 12.400 2.547 ( 0.402 -12.388 0.381) 12.400 2.794 ( -0.672 1.722 -2.528) 3.132 2.794 ( 0.672 1.722 -2.528) 3.132 2.830 ( -0.150 -2.278 -3.652) 4.307 2.830 ( 0.150 -2.278 -3.652) 4.307 3.572 ( -4.044 5.618 2.971) 7.533 3.572 ( 4.044 5.618 2.971) 7.533 3.622 ( -3.616 1.059 1.068) 3.916 3.622 ( 3.616 1.059 1.068) 3.916 4.225 ( -9.611 3.002 0.684) 10.092 4.225 ( 9.611 3.002 0.684) 10.092 4.251 ( -10.596 0.779 -0.144) 10.625 4.251 ( 10.596 0.779 -0.144) 10.625 4.786 ( -2.742 2.583 -0.521) 3.803 4.786 ( 2.742 2.583 -0.521) 3.803 4.827 ( -2.567 -0.982 -1.630) 3.196 4.827 ( 2.567 -0.982 -1.630) 3.196 5.251 ( -2.426 4.759 2.219) 5.785 5.251 ( 2.426 4.759 2.219) 5.785 5.297 ( -2.958 0.130 1.505) 3.321 5.297 ( 2.958 0.130 1.505) 3.321 5.549 ( -2.043 3.963 -0.367) 4.474 5.549 ( 2.043 3.963 -0.367) 4.474 5.591 ( -2.322 -0.280 -0.193) 2.347 5.591 ( 2.322 -0.280 -0.193) 2.347 6.105 ( -0.361 2.793 -0.267) 2.829 6.105 ( 0.361 2.793 -0.267) 2.829 6.141 ( -0.377 -0.775 -0.877) 1.229 6.141 ( 0.377 -0.775 -0.877) 1.229 6.676 ( -1.807 1.599 0.190) 2.420 6.676 ( 1.807 1.599 0.190) 2.420 6.743 ( -1.019 -4.952 -0.039) 5.056 6.743 ( 1.020 -4.952 -0.039) 5.056 7.343 ( -0.927 0.663 0.336) 1.188 7.343 ( 0.927 0.663 0.336) 1.188 7.361 ( -1.330 -1.175 0.111) 1.778 7.361 ( 1.331 -1.175 0.111) 1.779 8.094 ( -5.142 1.728 0.394) 5.439 8.094 ( 5.142 1.728 0.394) 5.439 8.132 ( -3.352 -1.891 -1.111) 4.006 8.132 ( 3.352 -1.891 -1.111) 4.006 8.713 ( -4.543 2.018 1.216) 5.118 8.713 ( 4.543 2.018 1.216) 5.118 8.762 ( -3.058 -2.487 -0.880) 4.039 8.762 ( 3.058 -2.487 -0.880) 4.039 9.276 ( -0.548 5.460 0.380) 5.500 9.276 ( 0.548 5.460 0.380) 5.500 9.374 ( -1.651 -3.834 -0.418) 4.195 9.374 ( 1.651 -3.834 -0.418) 4.195 10.160 ( -0.891 3.422 0.160) 3.540 10.160 ( 0.891 3.422 0.160) 3.540 10.250 ( -1.024 -5.314 -0.221) 5.417 10.250 ( 1.024 -5.314 -0.221) 5.417 ======================= Grid point 182 (57/84) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 0.000 -22.880) 22.880 0.933 ( 0.000 0.000 22.880) 22.880 1.017 ( 0.000 0.000 -24.145) 24.145 1.017 ( 0.000 0.000 24.145) 24.145 1.678 ( 0.000 0.000 -38.657) 38.657 1.678 ( 0.000 0.000 38.657) 38.657 2.169 ( 0.000 0.000 -1.970) 1.970 2.169 ( 0.000 0.000 1.970) 1.970 2.281 ( 0.000 0.000 -18.326) 18.326 2.281 ( 0.000 0.000 18.326) 18.326 2.301 ( 0.000 0.000 -2.038) 2.038 2.301 ( 0.000 0.000 2.038) 2.038 2.383 ( 0.000 0.000 -0.947) 0.947 2.383 ( 0.000 0.000 0.947) 0.947 2.964 ( 0.000 0.000 -1.600) 1.600 2.964 ( 0.000 0.000 1.600) 1.600 3.027 ( 0.000 0.000 -7.942) 7.942 3.027 ( 0.000 0.000 7.942) 7.942 3.555 ( 0.000 0.000 -11.615) 11.615 3.555 ( 0.000 0.000 11.615) 11.615 4.021 ( 0.000 0.000 -2.984) 2.984 4.021 ( 0.000 0.000 2.984) 2.984 4.313 ( 0.000 0.000 -8.198) 8.198 4.313 ( 0.000 0.000 8.198) 8.198 4.896 ( 0.000 0.000 -3.199) 3.199 4.896 ( 0.000 0.000 3.199) 3.199 5.089 ( 0.000 0.000 -0.319) 0.319 5.089 ( 0.000 0.000 0.319) 0.319 5.140 ( 0.000 0.000 -0.387) 0.387 5.140 ( 0.000 0.000 0.387) 0.387 5.270 ( 0.000 0.000 -2.530) 2.530 5.270 ( 0.000 0.000 2.530) 2.530 5.662 ( 0.000 0.000 -4.914) 4.914 5.662 ( 0.000 0.000 4.914) 4.914 5.725 ( 0.000 0.000 -3.273) 3.273 5.725 ( 0.000 0.000 3.273) 3.273 6.139 ( 0.000 0.000 -1.747) 1.747 6.139 ( 0.000 0.000 1.747) 1.747 6.389 ( 0.000 0.000 -1.017) 1.017 6.389 ( 0.000 0.000 1.017) 1.017 7.390 ( 0.000 0.000 -1.108) 1.108 7.390 ( 0.000 0.000 1.108) 1.108 7.498 ( 0.000 0.000 -0.053) 0.053 7.498 ( 0.000 0.000 0.053) 0.053 7.899 ( 0.000 0.000 -9.082) 9.082 7.899 ( 0.000 0.000 9.082) 9.082 8.050 ( 0.000 0.000 -1.626) 1.626 8.050 ( 0.000 0.000 1.626) 1.626 8.352 ( 0.000 0.000 -11.773) 11.773 8.352 ( 0.000 0.000 11.773) 11.773 8.880 ( 0.000 0.000 -4.528) 4.528 8.880 ( 0.000 0.000 4.528) 4.528 9.385 ( 0.000 0.000 -3.551) 3.551 9.385 ( 0.000 0.000 3.551) 3.551 9.794 ( 0.000 0.000 -0.915) 0.915 9.794 ( 0.000 0.000 0.915) 0.915 10.606 ( 0.000 0.000 -10.410) 10.410 10.606 ( 0.000 0.000 10.410) 10.410 11.211 ( 0.000 0.000 -3.855) 3.855 11.211 ( 0.000 0.000 3.855) 3.855 ======================= Grid point 184 (58/84) ======================= q-point: ( 0.17 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 3.662 0.000 -20.043) 20.375 0.952 ( 3.662 0.000 20.043) 20.375 1.177 ( 14.167 0.000 -18.824) 23.559 1.177 ( 14.167 0.000 18.824) 23.559 1.815 ( 6.645 0.000 -24.706) 25.584 1.815 ( 6.645 0.000 24.706) 25.584 2.138 ( -0.428 0.000 -22.386) 22.390 2.138 ( -0.428 0.000 22.386) 22.390 2.254 ( -3.946 0.000 -1.175) 4.117 2.254 ( -3.946 0.000 1.175) 4.117 2.291 ( 4.007 0.000 -5.712) 6.977 2.291 ( 4.007 0.000 5.712) 6.977 2.430 ( 3.834 0.000 -3.178) 4.979 2.430 ( 3.834 0.000 3.178) 4.979 2.924 ( -3.944 0.000 -1.171) 4.114 2.924 ( -3.944 0.000 1.171) 4.114 3.163 ( 10.609 0.000 -4.649) 11.583 3.163 ( 10.609 0.000 4.649) 11.583 3.523 ( -2.333 0.000 -11.556) 11.790 3.523 ( -2.333 0.000 11.556) 11.790 3.988 ( -2.558 0.000 -2.197) 3.372 3.988 ( -2.558 0.000 2.197) 3.372 4.308 ( -1.371 0.000 -9.509) 9.607 4.308 ( -1.371 0.000 9.509) 9.607 4.851 ( -13.623 0.000 -2.517) 13.853 4.851 ( -13.623 0.000 2.517) 13.853 4.883 ( -0.900 0.000 -2.008) 2.200 4.883 ( -0.900 0.000 2.008) 2.200 5.262 ( 4.724 0.000 -0.920) 4.813 5.262 ( 4.724 0.000 0.920) 4.813 5.307 ( 3.058 0.000 -2.735) 4.103 5.307 ( 3.058 0.000 2.735) 4.103 5.679 ( 1.767 0.000 -4.429) 4.769 5.679 ( 1.767 0.000 4.429) 4.769 5.862 ( 9.463 0.000 -4.781) 10.602 5.862 ( 9.463 0.000 4.781) 10.602 6.161 ( 1.808 0.000 -3.008) 3.509 6.161 ( 1.808 0.000 3.008) 3.509 6.378 ( -1.126 0.000 -0.950) 1.474 6.378 ( -1.126 0.000 0.950) 1.474 7.346 ( -2.950 0.000 -0.699) 3.031 7.346 ( -2.950 0.000 0.699) 3.031 7.552 ( 3.798 0.000 -0.239) 3.805 7.552 ( 3.798 0.000 0.239) 3.805 7.896 ( -1.062 0.000 -3.010) 3.192 7.896 ( -1.062 0.000 3.010) 3.192 8.060 ( 1.580 0.000 -1.153) 1.957 8.060 ( 1.580 0.000 1.153) 1.957 8.391 ( 3.051 0.000 -6.927) 7.569 8.391 ( 3.051 0.000 6.927) 7.569 8.910 ( 2.767 0.000 -5.113) 5.813 8.910 ( 2.767 0.000 5.113) 5.813 9.366 ( -1.726 0.000 -3.100) 3.548 9.366 ( -1.726 0.000 3.100) 3.548 9.792 ( -0.329 0.000 -1.442) 1.479 9.792 ( -0.329 0.000 1.442) 1.479 10.578 ( -2.733 0.000 -9.082) 9.484 10.578 ( -2.733 0.000 9.082) 9.484 11.055 ( -12.184 0.000 -6.448) 13.785 11.055 ( -12.184 0.000 6.448) 13.785 ======================= Grid point 186 (59/84) ======================= q-point: ( 0.33 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 11.789 0.000 -13.375) 17.829 1.111 ( 11.789 0.000 13.375) 17.829 1.489 ( 15.010 0.000 -10.183) 18.138 1.489 ( 15.010 0.000 10.183) 18.138 1.695 ( -13.671 0.000 -11.431) 17.820 1.695 ( -13.671 0.000 11.431) 17.820 2.154 ( -5.810 0.000 -1.275) 5.948 2.154 ( -5.810 0.000 1.275) 5.948 2.231 ( 3.360 0.000 -15.502) 15.862 2.231 ( 3.360 0.000 15.502) 15.862 2.524 ( 5.508 0.000 -3.465) 6.507 2.524 ( 5.508 0.000 3.465) 6.507 2.539 ( 20.857 0.000 -12.190) 24.158 2.539 ( 20.857 0.000 12.190) 24.158 2.815 ( -6.558 0.000 -0.995) 6.633 2.815 ( -6.558 0.000 0.995) 6.633 3.248 ( -6.245 0.000 -7.538) 9.789 3.248 ( -6.245 0.000 7.538) 9.789 3.582 ( 10.487 0.000 -5.939) 12.052 3.582 ( 10.487 0.000 5.939) 12.052 3.925 ( -3.307 0.000 -1.689) 3.713 3.925 ( -3.307 0.000 1.689) 3.713 4.233 ( -6.846 0.000 -8.949) 11.267 4.233 ( -6.846 0.000 8.949) 11.267 4.623 ( -7.851 0.000 -0.967) 7.910 4.623 ( -7.851 0.000 0.967) 7.910 4.870 ( -0.362 0.000 -0.516) 0.630 4.870 ( -0.362 0.000 0.516) 0.630 5.332 ( 2.380 0.000 -0.955) 2.564 5.332 ( 2.380 0.000 0.955) 2.564 5.362 ( 1.930 0.000 -2.054) 2.818 5.362 ( 1.930 0.000 2.054) 2.818 5.730 ( 2.965 0.000 -2.566) 3.921 5.730 ( 2.965 0.000 2.566) 3.921 6.020 ( 6.514 0.000 -4.231) 7.767 6.020 ( 6.514 0.000 4.231) 7.767 6.181 ( -0.531 0.000 -3.054) 3.100 6.181 ( -0.531 0.000 3.054) 3.100 6.347 ( -1.761 0.000 -0.636) 1.872 6.347 ( -1.761 0.000 0.636) 1.872 7.299 ( -1.599 0.000 -0.342) 1.635 7.299 ( -1.599 0.000 0.342) 1.635 7.618 ( 2.530 0.000 -0.218) 2.539 7.618 ( 2.530 0.000 0.218) 2.539 7.852 ( -2.650 0.000 -1.084) 2.863 7.852 ( -2.650 0.000 1.084) 2.863 8.111 ( 2.741 0.000 -0.241) 2.752 8.111 ( 2.741 0.000 0.241) 2.752 8.444 ( 2.023 0.000 -3.815) 4.318 8.444 ( 2.023 0.000 3.815) 4.318 8.970 ( 2.715 0.000 -3.996) 4.831 8.970 ( 2.715 0.000 3.996) 4.831 9.326 ( -1.993 0.000 -2.118) 2.908 9.326 ( -1.993 0.000 2.118) 2.908 9.778 ( -0.951 0.000 -1.289) 1.602 9.778 ( -0.951 0.000 1.289) 1.602 10.514 ( -3.015 0.000 -4.765) 5.639 10.514 ( -3.015 0.000 4.765) 5.639 10.850 ( -7.065 0.000 -6.489) 9.593 10.850 ( -7.065 0.000 6.489) 9.593 ======================= Grid point 188 (60/84) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.430 ( -0.000 0.000 -0.000) 0.000 1.430 ( 0.000 0.000 -0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.672 ( -0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 -0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 0.000) 0.000 2.618 ( -0.000 0.000 -0.000) 0.000 2.618 ( -0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 -0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.919 ( -0.000 0.000 -0.000) 0.000 2.919 ( -0.000 0.000 0.000) 0.000 3.023 ( -0.000 0.000 -0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 -0.000) 0.000 3.917 ( -0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 -0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 -0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 -0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 -0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 -0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.283 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 -0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.465 ( -0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 -0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 9.303 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 -0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 -0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 196 (61/84) ======================= 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 16.660 -16.911) 23.739 1.119 ( 0.000 16.660 16.911) 23.739 1.131 ( 0.000 10.811 -21.207) 23.803 1.131 ( 0.000 10.811 21.207) 23.803 1.914 ( 0.000 20.822 -23.447) 31.358 1.914 ( 0.000 20.822 23.447) 31.358 2.199 ( 0.000 4.460 -0.533) 4.492 2.199 ( 0.000 4.460 0.533) 4.492 2.326 ( 0.000 6.999 -21.595) 22.701 2.326 ( 0.000 6.999 21.595) 22.701 2.443 ( 0.000 9.734 -3.966) 10.511 2.443 ( 0.000 9.734 3.966) 10.511 2.667 ( 0.000 22.125 -0.234) 22.126 2.667 ( 0.000 22.125 0.234) 22.126 3.054 ( 0.000 7.602 -2.157) 7.902 3.054 ( 0.000 7.602 2.157) 7.902 3.066 ( 0.000 5.517 -5.604) 7.864 3.066 ( 0.000 5.517 5.604) 7.864 3.519 ( 0.000 -2.211 -8.337) 8.626 3.519 ( 0.000 -2.211 8.337) 8.626 3.983 ( 0.000 -0.214 -1.657) 1.671 3.983 ( 0.000 -0.214 1.657) 1.671 4.177 ( 0.000 -2.177 -10.452) 10.676 4.177 ( 0.000 -2.177 10.452) 10.676 4.897 ( 0.000 -4.962 -4.341) 6.593 4.897 ( 0.000 -4.962 4.341) 6.593 5.087 ( 0.000 -3.770 -0.196) 3.775 5.087 ( 0.000 -3.770 0.196) 3.775 5.296 ( 0.000 7.338 -0.429) 7.350 5.296 ( 0.000 7.338 0.429) 7.350 5.561 ( 0.000 2.683 -6.010) 6.582 5.561 ( 0.000 2.683 6.010) 6.582 5.754 ( 0.000 3.160 -1.653) 3.566 5.754 ( 0.000 3.160 1.653) 3.566 6.095 ( 0.000 -1.572 -0.575) 1.674 6.095 ( 0.000 -1.572 0.575) 1.674 6.265 ( 0.000 56.248 -29.312) 63.427 6.265 ( 0.000 56.248 29.312) 63.427 6.542 ( 0.000 13.461 -0.764) 13.482 6.542 ( 0.000 13.461 0.764) 13.482 7.423 ( 0.000 2.032 -0.690) 2.146 7.423 ( 0.000 2.032 0.690) 2.146 7.497 ( 0.000 1.181 -1.486) 1.898 7.497 ( 0.000 1.181 1.486) 1.898 7.916 ( 0.000 1.155 -8.387) 8.466 7.916 ( 0.000 1.155 8.387) 8.466 8.008 ( 0.000 -4.032 -1.788) 4.411 8.008 ( 0.000 -4.032 1.788) 4.411 8.342 ( 0.000 -0.531 -11.469) 11.481 8.342 ( 0.000 -0.531 11.469) 11.481 8.867 ( 0.000 -0.908 -3.579) 3.693 8.867 ( 0.000 -0.908 3.579) 3.693 9.349 ( 0.000 -3.461 -3.646) 5.027 9.349 ( 0.000 -3.461 3.646) 5.027 9.753 ( 0.000 -3.758 -1.055) 3.903 9.753 ( 0.000 -3.758 1.055) 3.903 10.573 ( 0.000 -3.350 -9.950) 10.499 10.573 ( 0.000 -3.350 9.950) 10.499 11.013 ( 0.000 -15.449 -4.453) 16.078 11.013 ( 0.000 -15.449 4.453) 16.078 ======================= Grid point 198 (62/84) ======================= q-point: ( 0.17 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.572 15.193 -17.159) 22.972 1.115 ( 1.572 15.193 17.159) 22.972 1.255 ( 11.580 7.905 -19.603) 24.101 1.255 ( 11.580 7.905 19.603) 24.101 1.965 ( -2.014 11.911 -11.724) 16.834 1.965 ( -2.014 11.911 11.724) 16.834 2.218 ( -0.982 7.892 -8.943) 11.968 2.218 ( -0.982 7.892 8.943) 11.968 2.291 ( 5.332 6.737 -10.757) 13.767 2.291 ( 5.332 6.737 10.757) 13.767 2.486 ( 3.569 14.101 -3.217) 14.897 2.486 ( 3.569 14.101 3.217) 14.897 2.653 ( -0.268 19.382 -2.989) 19.613 2.653 ( -0.268 19.382 2.989) 19.613 3.004 ( -4.039 7.529 -2.306) 8.849 3.004 ( -4.039 7.529 2.306) 8.849 3.206 ( 10.932 5.011 -4.539) 12.854 3.206 ( 10.932 5.011 4.539) 12.854 3.499 ( -1.680 -0.755 -8.279) 8.481 3.499 ( -1.680 -0.755 8.279) 8.481 3.985 ( -0.244 1.082 -1.547) 1.903 3.985 ( -0.244 1.082 1.547) 1.903 4.184 ( 0.059 -3.112 -9.351) 9.856 4.184 ( 0.059 -3.112 9.351) 9.856 4.787 ( -8.749 -2.902 -3.033) 9.704 4.787 ( -8.749 -2.902 3.033) 9.704 5.135 ( 3.073 -5.374 -1.208) 6.307 5.135 ( 3.073 -5.374 1.208) 6.307 5.288 ( -1.261 10.520 -2.689) 10.931 5.288 ( -1.261 10.520 2.689) 10.931 5.534 ( -2.386 8.231 -3.415) 9.225 5.534 ( -2.386 8.231 3.415) 9.225 5.744 ( 0.434 3.890 -2.280) 4.530 5.744 ( 0.434 3.890 2.280) 4.530 6.050 ( -2.339 3.797 -4.654) 6.446 6.050 ( -2.339 3.797 4.654) 6.446 6.274 ( -0.199 32.161 -15.844) 35.852 6.274 ( -0.199 32.161 15.844) 35.852 6.565 ( 1.278 16.281 -2.707) 16.554 6.565 ( 1.278 16.281 2.707) 16.554 7.356 ( -4.650 0.683 -0.695) 4.751 7.356 ( -4.650 0.683 0.695) 4.751 7.539 ( 2.684 -1.125 -0.710) 2.995 7.539 ( 2.684 -1.125 0.710) 2.995 7.898 ( -1.708 -0.576 -1.287) 2.215 7.898 ( -1.708 -0.576 1.287) 2.215 8.051 ( 3.813 -0.253 -0.952) 3.938 8.051 ( 3.813 -0.253 0.952) 3.938 8.379 ( 2.836 -1.000 -7.406) 7.993 8.379 ( 2.836 -1.000 7.406) 7.993 8.906 ( 3.540 -0.210 -3.942) 5.302 8.906 ( 3.540 -0.210 3.942) 5.302 9.331 ( -1.746 -3.372 -3.375) 5.080 9.331 ( -1.746 -3.372 3.375) 5.080 9.749 ( -0.470 -3.998 -1.289) 4.227 9.749 ( -0.470 -3.998 1.289) 4.227 10.536 ( -3.372 -4.050 -7.675) 9.310 10.536 ( -3.372 -4.050 7.675) 9.310 10.922 ( -7.356 -10.749 -7.277) 14.920 10.922 ( -7.356 -10.749 7.277) 14.920 ======================= Grid point 200 (63/84) ======================= q-point: ( 0.33 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 9.223 11.179 -11.708) 18.631 1.225 ( 9.223 11.179 11.708) 18.631 1.520 ( 11.293 4.039 -12.441) 17.281 1.520 ( 11.293 4.039 12.441) 17.281 1.805 ( -8.310 8.993 -10.846) 16.358 1.805 ( -8.310 8.993 10.846) 16.358 2.159 ( -6.064 4.508 -0.601) 7.580 2.159 ( -6.064 4.508 0.601) 7.580 2.373 ( 0.437 6.546 -5.544) 8.589 2.373 ( 0.437 6.546 5.544) 8.589 2.647 ( 6.403 13.205 -5.723) 15.752 2.647 ( 6.403 13.205 5.723) 15.752 2.753 ( 14.963 17.824 -14.838) 27.600 2.753 ( 14.963 17.824 14.838) 27.600 2.909 ( -4.754 9.457 -3.403) 11.118 2.909 ( -4.754 9.457 3.403) 11.118 3.320 ( -4.458 7.336 -6.575) 10.813 3.320 ( -4.458 7.336 6.575) 10.813 3.560 ( 11.063 -0.843 -5.355) 12.320 3.560 ( 11.063 -0.843 5.355) 12.320 3.953 ( -2.769 2.890 -0.896) 4.101 3.953 ( -2.769 2.890 0.896) 4.101 4.142 ( -5.244 -3.573 -6.840) 9.330 4.142 ( -5.244 -3.573 6.840) 9.330 4.620 ( -6.428 0.017 -0.900) 6.490 4.620 ( -6.428 0.017 0.900) 6.490 5.184 ( 1.777 -6.500 -1.475) 6.898 5.184 ( 1.777 -6.500 1.475) 6.898 5.247 ( -2.197 18.190 -2.538) 18.497 5.247 ( -2.197 18.190 2.538) 18.497 5.496 ( -1.081 7.685 -1.260) 7.862 5.496 ( -1.081 7.685 1.260) 7.862 5.797 ( 4.277 2.905 -1.385) 5.353 5.797 ( 4.277 2.905 1.385) 5.353 6.022 ( -0.997 -2.268 -3.655) 4.416 6.022 ( -0.997 -2.268 3.655) 4.416 6.254 ( -1.333 19.992 -6.320) 21.009 6.254 ( -1.333 19.992 6.320) 21.009 6.571 ( -0.548 16.129 -1.396) 16.198 6.571 ( -0.548 16.129 1.396) 16.198 7.279 ( -2.696 -2.068 -0.056) 3.398 7.279 ( -2.696 -2.068 0.056) 3.398 7.574 ( 0.560 -4.428 -0.324) 4.475 7.574 ( 0.560 -4.428 0.324) 4.475 7.867 ( -0.971 1.441 -1.979) 2.633 7.867 ( -0.971 1.441 1.979) 2.633 8.130 ( 3.379 1.670 -0.665) 3.827 8.130 ( 3.379 1.670 0.665) 3.827 8.429 ( 1.918 -1.501 -3.945) 4.636 8.429 ( 1.918 -1.501 3.945) 4.636 8.983 ( 3.466 1.041 -3.392) 4.961 8.983 ( 3.466 1.041 3.392) 4.961 9.288 ( -2.217 -3.444 -2.652) 4.879 9.288 ( -2.217 -3.444 2.652) 4.879 9.733 ( -0.972 -4.320 -0.985) 4.536 9.733 ( -0.972 -4.320 0.985) 4.536 10.462 ( -3.298 -4.836 -2.976) 6.566 10.462 ( -3.298 -4.836 2.976) 6.566 10.791 ( -4.789 -5.066 -4.984) 8.569 10.791 ( -4.789 -5.066 4.984) 8.569 ======================= Grid point 202 (64/84) ======================= q-point: (-0.50 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 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 7.387 0.000) 7.387 1.423 ( 0.000 7.387 0.000) 7.387 1.479 ( -0.000 6.483 -0.000) 6.483 1.479 ( 0.000 6.483 -0.000) 6.483 1.849 ( 0.000 13.776 0.000) 13.776 1.849 ( 0.000 13.776 0.000) 13.776 2.021 ( 0.000 -2.188 0.000) 2.188 2.021 ( 0.000 -2.188 0.000) 2.188 2.377 ( 0.000 6.288 0.000) 6.288 2.377 ( 0.000 6.288 0.000) 6.288 2.719 ( -0.000 8.992 -0.000) 8.992 2.719 ( -0.000 8.992 0.000) 8.992 2.823 ( 0.000 12.215 -0.000) 12.215 2.823 ( 0.000 12.215 0.000) 12.215 3.093 ( -0.000 15.679 -0.000) 15.679 3.093 ( -0.000 15.679 0.000) 15.679 3.122 ( 0.000 9.519 -0.000) 9.519 3.122 ( 0.000 9.519 0.000) 9.519 3.736 ( 0.000 -0.793 0.000) 0.793 3.736 ( 0.000 -0.793 0.000) 0.793 3.931 ( 0.000 2.034 -0.000) 2.034 3.931 ( -0.000 2.034 0.000) 2.034 4.020 ( 0.000 -1.925 -0.000) 1.925 4.020 ( 0.000 -1.925 0.000) 1.925 4.559 ( 0.000 0.969 0.000) 0.969 4.559 ( 0.000 0.969 0.000) 0.969 5.204 ( 0.000 -9.075 -0.000) 9.075 5.204 ( 0.000 -9.075 0.000) 9.075 5.221 ( 0.000 22.985 0.000) 22.985 5.221 ( 0.000 22.985 0.000) 22.985 5.486 ( 0.000 5.338 0.000) 5.338 5.486 ( 0.000 5.338 0.000) 5.338 5.859 ( 0.000 4.811 0.000) 4.811 5.859 ( 0.000 4.811 0.000) 4.811 6.004 ( 0.000 -7.301 0.000) 7.301 6.004 ( 0.000 -7.301 0.000) 7.301 6.239 ( 0.000 18.047 0.000) 18.047 6.239 ( 0.000 18.047 0.000) 18.047 6.561 ( 0.000 15.371 0.000) 15.371 6.561 ( 0.000 15.371 0.000) 15.371 7.253 ( 0.000 -2.944 0.000) 2.944 7.253 ( 0.000 -2.944 0.000) 2.944 7.574 ( 0.000 -6.248 0.000) 6.248 7.574 ( 0.000 -6.248 0.000) 6.248 7.860 ( 0.000 3.331 0.000) 3.331 7.860 ( 0.000 3.331 0.000) 3.331 8.166 ( 0.000 1.854 0.000) 1.854 8.166 ( 0.000 1.854 0.000) 1.854 8.449 ( 0.000 -1.647 0.000) 1.647 8.449 ( 0.000 -1.647 0.000) 1.647 9.022 ( 0.000 1.899 -0.000) 1.899 9.022 ( 0.000 1.899 0.000) 1.899 9.261 ( 0.000 -3.780 0.000) 3.780 9.261 ( 0.000 -3.780 0.000) 3.780 9.721 ( 0.000 -4.391 0.000) 4.391 9.721 ( 0.000 -4.391 0.000) 4.391 10.427 ( 0.000 -4.919 -0.000) 4.919 10.427 ( 0.000 -4.919 0.000) 4.919 10.743 ( 0.000 -3.471 -0.000) 3.471 10.743 ( 0.000 -3.471 0.000) 3.471 ======================= Grid point 210 (65/84) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 0.000 17.609 -14.980) 23.119 1.426 ( 0.000 17.609 14.980) 23.119 1.523 ( 0.000 21.079 -11.295) 23.915 1.523 ( 0.000 21.079 11.295) 23.915 2.276 ( 0.000 9.581 -0.402) 9.589 2.276 ( 0.000 9.581 0.402) 9.589 2.348 ( 0.000 9.626 -9.112) 13.255 2.348 ( 0.000 9.626 9.112) 13.255 2.507 ( 0.000 7.670 -6.555) 10.089 2.507 ( 0.000 7.670 6.555) 10.089 2.785 ( 0.000 28.251 -20.466) 34.885 2.785 ( 0.000 28.251 20.466) 34.885 3.046 ( 0.000 12.337 -6.114) 13.769 3.046 ( 0.000 12.337 6.114) 13.769 3.220 ( 0.000 7.429 -5.628) 9.320 3.220 ( 0.000 7.429 5.628) 9.320 3.374 ( 0.000 22.241 -2.414) 22.371 3.374 ( 0.000 22.241 2.414) 22.371 3.498 ( 0.000 3.525 -2.817) 4.512 3.498 ( 0.000 3.525 2.817) 4.512 4.035 ( 0.000 4.100 -0.213) 4.106 4.035 ( 0.000 4.100 0.213) 4.106 4.199 ( 0.000 3.966 -5.998) 7.191 4.199 ( 0.000 3.966 5.998) 7.191 4.780 ( 0.000 -5.835 -4.086) 7.124 4.780 ( 0.000 -5.835 4.086) 7.124 4.994 ( 0.000 -4.576 -0.838) 4.652 4.994 ( 0.000 -4.576 0.838) 4.652 5.462 ( 0.000 7.258 -0.173) 7.260 5.462 ( 0.000 7.258 0.173) 7.260 5.557 ( 0.000 0.020 -5.140) 5.140 5.557 ( 0.000 0.020 5.140) 5.140 5.838 ( 0.000 4.419 -1.702) 4.735 5.838 ( 0.000 4.419 1.702) 4.735 6.030 ( 0.000 -3.295 -0.099) 3.296 6.030 ( 0.000 -3.295 0.099) 3.296 6.851 ( 0.000 15.433 -1.172) 15.478 6.851 ( 0.000 15.433 1.172) 15.478 7.047 ( 0.000 17.674 -16.556) 24.217 7.047 ( 0.000 17.674 16.556) 24.217 7.387 ( 0.000 -4.431 -0.643) 4.478 7.387 ( 0.000 -4.431 0.643) 4.478 7.653 ( 0.000 11.731 -11.879) 16.695 7.653 ( 0.000 11.731 11.879) 16.695 7.876 ( 0.000 -6.575 -2.613) 7.075 7.876 ( 0.000 -6.575 2.613) 7.075 7.946 ( 0.000 0.735 -6.130) 6.174 7.946 ( 0.000 0.735 6.130) 6.174 8.345 ( 0.000 0.575 -9.610) 9.627 8.345 ( 0.000 0.575 9.610) 9.627 8.864 ( 0.000 1.062 -0.133) 1.071 8.864 ( 0.000 1.062 0.133) 1.071 9.251 ( 0.000 -5.966 -4.071) 7.223 9.251 ( 0.000 -5.966 4.071) 7.223 9.665 ( 0.000 -4.212 -1.937) 4.636 9.665 ( 0.000 -4.212 1.937) 4.636 10.470 ( 0.000 -6.649 -8.534) 10.818 10.470 ( 0.000 -6.649 8.534) 10.818 10.728 ( 0.000 -11.196 -10.290) 15.207 10.728 ( 0.000 -11.196 10.290) 15.207 ======================= Grid point 212 (66/84) ======================= q-point: ( 0.17 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 1.709 17.164 -2.697) 17.459 1.475 ( 1.709 17.164 2.697) 17.459 1.526 ( 4.733 19.513 -3.591) 20.398 1.526 ( 4.733 19.513 3.591) 20.398 2.186 ( -9.079 9.025 -8.485) 15.358 2.186 ( -9.079 9.025 8.485) 15.358 2.339 ( -0.296 5.558 -3.219) 6.430 2.339 ( -0.296 5.558 3.219) 6.430 2.522 ( 1.041 10.555 -8.559) 13.629 2.522 ( 1.041 10.555 8.559) 13.629 2.894 ( 7.494 25.274 -13.114) 29.444 2.894 ( 7.494 25.274 13.114) 29.444 3.005 ( -1.939 13.087 -3.053) 13.578 3.005 ( -1.939 13.087 3.053) 13.578 3.202 ( -0.944 8.994 -6.593) 11.192 3.202 ( -0.944 8.994 6.593) 11.192 3.421 ( 5.099 15.280 -2.616) 16.319 3.421 ( 5.099 15.280 2.616) 16.319 3.541 ( 2.793 7.977 -2.265) 8.750 3.541 ( 2.793 7.977 2.265) 8.750 4.044 ( 0.587 4.369 -0.784) 4.478 4.044 ( 0.587 4.369 0.784) 4.478 4.198 ( -0.440 4.279 -5.390) 6.896 4.198 ( -0.440 4.279 5.390) 6.896 4.725 ( -4.660 -2.776 -3.255) 6.326 4.725 ( -4.660 -2.776 3.255) 6.326 5.006 ( 0.847 -6.023 -0.341) 6.092 5.006 ( 0.847 -6.023 0.341) 6.092 5.473 ( 1.078 7.174 -1.591) 7.427 5.473 ( 1.078 7.174 1.591) 7.427 5.581 ( 2.164 0.763 -5.258) 5.737 5.581 ( 2.164 0.763 5.258) 5.737 5.825 ( -1.088 4.079 -3.233) 5.317 5.825 ( -1.088 4.079 3.233) 5.317 6.005 ( -2.254 -3.128 -1.116) 4.014 6.005 ( -2.254 -3.128 1.116) 4.014 6.829 ( -2.017 16.294 -1.889) 16.526 6.829 ( -2.017 16.294 1.889) 16.526 7.020 ( -2.260 19.157 -12.940) 23.228 7.020 ( -2.260 19.157 12.940) 23.228 7.352 ( -5.035 -1.373 -3.093) 6.067 7.352 ( -5.035 -1.373 3.093) 6.067 7.534 ( -7.180 1.474 -0.523) 7.348 7.534 ( -7.180 1.474 0.523) 7.348 7.865 ( 1.695 -1.081 -5.357) 5.722 7.865 ( 1.695 -1.081 5.357) 5.722 8.066 ( 6.597 1.577 -1.737) 7.002 8.066 ( 6.597 1.577 1.737) 7.002 8.359 ( 1.262 -0.843 -7.519) 7.670 8.359 ( 1.262 -0.843 7.519) 7.670 8.908 ( 3.997 0.552 -1.463) 4.292 8.908 ( 3.997 0.552 1.463) 4.292 9.241 ( -1.057 -5.172 -4.231) 6.766 9.241 ( -1.057 -5.172 4.231) 6.766 9.650 ( -1.426 -5.044 -1.472) 5.445 9.650 ( -1.426 -5.044 1.472) 5.445 10.420 ( -4.218 -6.941 -4.218) 9.152 10.420 ( -4.218 -6.941 4.218) 9.152 10.712 ( -1.499 -8.804 -6.657) 11.139 10.712 ( -1.499 -8.804 6.657) 11.139 ======================= Grid point 214 (67/84) ======================= q-point: ( 0.33 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 4.895 16.342 -7.432) 18.609 1.522 ( 4.895 16.342 7.432) 18.608 1.700 ( 8.954 13.886 -9.200) 18.911 1.700 ( 8.954 13.886 9.200) 18.911 1.990 ( -7.634 8.723 -10.751) 15.810 1.990 ( -7.634 8.723 10.751) 15.810 2.302 ( -5.666 8.080 -5.179) 11.145 2.302 ( -5.666 8.080 5.179) 11.145 2.488 ( -3.208 5.657 -5.106) 8.269 2.488 ( -3.208 5.657 5.106) 8.269 2.910 ( 0.179 10.353 -7.301) 12.670 2.910 ( 0.179 10.353 7.301) 12.670 3.122 ( 2.427 14.845 -2.177) 15.198 3.122 ( 2.427 14.845 2.177) 15.198 3.224 ( 8.034 20.549 -6.905) 23.119 3.224 ( 8.034 20.549 6.905) 23.119 3.517 ( 0.901 9.323 -2.747) 9.761 3.517 ( 0.901 9.323 2.747) 9.761 3.607 ( 5.775 7.397 -1.981) 9.591 3.607 ( 5.775 7.397 1.981) 9.591 4.045 ( -0.405 6.919 -2.026) 7.221 4.045 ( -0.405 6.919 2.026) 7.221 4.162 ( -3.505 6.439 -3.458) 8.106 4.162 ( -3.505 6.439 3.458) 8.106 4.634 ( -3.574 1.615 -1.453) 4.183 4.634 ( -3.574 1.615 1.453) 4.183 5.019 ( 0.459 -7.540 -0.520) 7.572 5.019 ( 0.459 -7.540 0.520) 7.572 5.507 ( 2.471 7.265 -1.412) 7.802 5.507 ( 2.471 7.265 1.412) 7.802 5.613 ( -0.175 4.066 -3.293) 5.235 5.613 ( -0.175 4.066 3.293) 5.235 5.817 ( 1.130 0.804 -3.685) 3.938 5.817 ( 1.130 0.804 3.685) 3.938 5.953 ( -2.790 -2.847 -1.595) 4.294 5.953 ( -2.790 -2.847 1.595) 4.294 6.797 ( -0.323 17.986 -1.735) 18.072 6.797 ( -0.323 17.986 1.735) 18.072 6.951 ( -5.213 23.756 -6.225) 25.106 6.951 ( -5.213 23.756 6.225) 25.106 7.221 ( -5.104 -2.543 -0.268) 5.709 7.221 ( -5.104 -2.543 0.268) 5.709 7.444 ( -2.863 -8.019 -0.221) 8.518 7.444 ( -2.863 -8.019 0.221) 8.518 7.922 ( 3.112 4.679 -3.382) 6.558 7.922 ( 3.112 4.679 3.382) 6.558 8.163 ( 3.040 1.184 -0.244) 3.271 8.163 ( 3.040 1.184 0.245) 3.271 8.385 ( 1.154 -2.677 -3.632) 4.657 8.385 ( 1.154 -2.677 3.632) 4.657 9.000 ( 4.689 0.417 -2.548) 5.353 9.000 ( 4.689 0.417 2.548) 5.353 9.208 ( -2.197 -3.902 -4.205) 6.143 9.208 ( -2.197 -3.902 4.205) 6.143 9.615 ( -1.774 -6.734 -0.622) 6.991 9.615 ( -1.774 -6.734 0.622) 6.991 10.339 ( -3.196 -6.596 -0.239) 7.333 10.339 ( -3.196 -6.596 0.239) 7.333 10.676 ( -1.798 -5.814 -2.429) 6.553 10.676 ( -1.798 -5.814 2.429) 6.553 ======================= Grid point 216 (68/84) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.000 12.610 0.000) 12.610 1.636 ( 0.000 12.610 0.000) 12.610 1.707 ( 0.000 14.397 -0.000) 14.397 1.707 ( 0.000 14.397 0.000) 14.397 2.033 ( 0.000 4.152 -0.000) 4.152 2.033 ( 0.000 4.152 0.000) 4.152 2.135 ( 0.000 13.728 0.000) 13.728 2.135 ( -0.000 13.728 0.000) 13.728 2.462 ( 0.000 3.045 0.000) 3.045 2.462 ( 0.000 3.045 0.000) 3.045 2.925 ( -0.000 9.848 -0.000) 9.848 2.925 ( 0.000 9.848 0.000) 9.848 3.114 ( 0.000 13.286 -0.000) 13.286 3.114 ( 0.000 13.286 0.000) 13.286 3.380 ( -0.000 14.649 -0.000) 14.649 3.380 ( -0.000 14.649 0.000) 14.649 3.478 ( 0.000 19.802 -0.000) 19.802 3.478 ( 0.000 19.802 0.000) 19.802 3.693 ( 0.000 -3.086 0.000) 3.086 3.693 ( 0.000 -3.086 0.000) 3.086 4.050 ( -0.000 11.397 -0.000) 11.397 4.050 ( -0.000 11.397 0.000) 11.397 4.094 ( 0.000 8.959 -0.000) 8.959 4.094 ( 0.000 8.959 0.000) 8.959 4.599 ( 0.000 3.071 0.000) 3.071 4.599 ( 0.000 3.071 0.000) 3.071 5.024 ( 0.000 -8.112 0.000) 8.112 5.024 ( 0.000 -8.112 0.000) 8.112 5.565 ( -0.000 12.019 0.000) 12.019 5.565 ( 0.000 12.019 0.000) 12.019 5.571 ( -0.000 1.851 0.000) 1.851 5.571 ( 0.000 1.851 0.000) 1.851 5.855 ( -0.000 -3.301 -0.000) 3.301 5.855 ( 0.000 -3.301 0.000) 3.301 5.907 ( 0.000 -1.414 0.000) 1.414 5.907 ( 0.000 -1.414 0.000) 1.414 6.836 ( -0.000 9.924 -0.000) 9.924 6.836 ( 0.000 9.924 0.000) 9.924 6.843 ( 0.000 32.538 -0.000) 32.538 6.843 ( 0.000 32.538 0.000) 32.538 7.177 ( 0.000 -3.473 0.000) 3.473 7.177 ( 0.000 -3.473 0.000) 3.473 7.413 ( 0.000 -9.215 -0.000) 9.215 7.413 ( 0.000 -9.215 0.000) 9.215 7.958 ( 0.000 7.029 0.000) 7.029 7.958 ( 0.000 7.029 0.000) 7.029 8.192 ( 0.000 0.120 -0.000) 0.120 8.192 ( 0.000 0.120 0.000) 0.120 8.398 ( 0.000 -3.295 0.000) 3.295 8.398 ( 0.000 -3.295 0.000) 3.295 9.061 ( 0.000 1.615 -0.000) 1.615 9.061 ( 0.000 1.615 0.000) 1.615 9.173 ( 0.000 -4.236 0.000) 4.236 9.173 ( 0.000 -4.236 0.000) 4.236 9.595 ( 0.000 -7.585 0.000) 7.585 9.595 ( 0.000 -7.585 0.000) 7.585 10.306 ( 0.000 -6.286 0.000) 6.286 10.306 ( 0.000 -6.286 0.000) 6.286 10.656 ( 0.000 -4.807 -0.000) 4.807 10.656 ( 0.000 -4.807 0.000) 4.807 ======================= Grid point 224 (69/84) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 17.345 -4.812) 18.000 1.793 ( 0.000 17.345 4.812) 18.000 1.941 ( 0.000 19.902 -2.835) 20.103 1.941 ( 0.000 19.902 2.835) 20.103 2.367 ( 0.000 0.010 -0.940) 0.940 2.367 ( 0.000 0.010 0.940) 0.940 2.497 ( 0.000 6.061 -5.388) 8.109 2.497 ( 0.000 6.061 5.388) 8.109 2.672 ( 0.000 8.510 -6.181) 10.518 2.672 ( 0.000 8.510 6.181) 10.518 3.220 ( 0.000 5.835 -5.471) 7.999 3.220 ( 0.000 5.835 5.471) 7.999 3.282 ( 0.000 -0.695 -9.601) 9.626 3.282 ( 0.000 -0.695 9.601) 9.626 3.406 ( 0.000 17.659 -6.658) 18.872 3.406 ( 0.000 17.659 6.658) 18.872 3.577 ( 0.000 20.981 -9.239) 22.925 3.577 ( 0.000 20.981 9.239) 22.925 3.944 ( 0.000 18.846 -2.616) 19.026 3.944 ( 0.000 18.846 2.616) 19.026 4.116 ( 0.000 7.799 -0.915) 7.852 4.116 ( 0.000 7.799 0.915) 7.852 4.339 ( 0.000 9.762 -4.344) 10.685 4.339 ( 0.000 9.762 4.344) 10.685 4.685 ( 0.000 -2.711 -5.701) 6.312 4.685 ( 0.000 -2.711 5.701) 6.312 4.944 ( 0.000 0.451 -2.194) 2.240 4.944 ( 0.000 0.451 2.194) 2.240 5.469 ( 0.000 -2.953 -4.312) 5.226 5.469 ( 0.000 -2.953 4.312) 5.226 5.669 ( 0.000 6.206 -1.617) 6.413 5.669 ( 0.000 6.206 1.617) 6.413 5.903 ( 0.000 1.991 -2.740) 3.387 5.903 ( 0.000 1.991 2.740) 3.387 6.000 ( 0.000 1.251 -3.530) 3.745 6.000 ( 0.000 1.251 3.530) 3.745 7.113 ( 0.000 9.112 -1.403) 9.219 7.113 ( 0.000 9.112 1.403) 9.219 7.160 ( 0.000 -2.402 -2.350) 3.360 7.160 ( 0.000 -2.402 2.350) 3.360 7.306 ( 0.000 -2.079 -1.079) 2.343 7.306 ( 0.000 -2.079 1.079) 2.343 7.664 ( 0.000 -8.031 -0.873) 8.078 7.664 ( 0.000 -8.031 0.873) 8.078 7.794 ( 0.000 -2.912 -6.619) 7.232 7.794 ( 0.000 -2.912 6.619) 7.232 8.084 ( 0.000 9.554 -9.671) 13.595 8.084 ( 0.000 9.554 9.671) 13.595 8.355 ( 0.000 1.460 -3.684) 3.963 8.355 ( 0.000 1.460 3.684) 3.963 8.912 ( 0.000 3.206 -3.991) 5.119 8.912 ( 0.000 3.206 3.991) 5.119 9.127 ( 0.000 -5.617 -4.090) 6.949 9.127 ( 0.000 -5.617 4.090) 6.949 9.598 ( 0.000 -2.454 -3.178) 4.015 9.598 ( 0.000 -2.454 3.178) 4.015 10.327 ( 0.000 -6.636 -6.561) 9.331 10.327 ( 0.000 -6.636 6.561) 9.331 10.554 ( 0.000 -6.729 -10.039) 12.086 10.554 ( 0.000 -6.729 10.039) 12.086 ======================= Grid point 226 (70/84) ======================= q-point: ( 0.17 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 1.168 15.798 -1.655) 15.928 1.812 ( 1.168 15.798 1.655) 15.928 1.949 ( 2.050 20.510 -0.951) 20.634 1.949 ( 2.050 20.510 0.951) 20.634 2.298 ( -6.844 2.051 -5.899) 9.265 2.298 ( -6.844 2.051 5.899) 9.265 2.468 ( -1.134 6.672 -2.310) 7.151 2.468 ( -1.134 6.672 2.310) 7.151 2.699 ( 0.264 7.278 -6.535) 9.785 2.699 ( 0.264 7.278 6.535) 9.785 3.118 ( -6.682 3.273 -5.890) 9.490 3.118 ( -6.682 3.273 5.890) 9.490 3.288 ( 0.805 3.280 -9.034) 9.645 3.288 ( 0.805 3.280 9.034) 9.645 3.480 ( 5.150 14.935 -7.235) 17.375 3.480 ( 5.150 14.935 7.235) 17.375 3.645 ( 5.493 18.975 -8.316) 21.433 3.645 ( 5.493 18.975 8.316) 21.433 3.856 ( -5.870 10.776 -0.800) 12.298 3.856 ( -5.870 10.776 0.800) 12.298 4.207 ( 6.042 14.693 -1.278) 15.938 4.207 ( 6.042 14.693 1.278) 15.938 4.355 ( 1.649 10.966 -3.860) 11.742 4.355 ( 1.649 10.966 3.860) 11.742 4.686 ( 0.107 -0.703 -5.270) 5.318 4.686 ( 0.107 -0.703 5.270) 5.318 4.932 ( -1.095 -0.414 -1.976) 2.297 4.932 ( -1.095 -0.414 1.976) 2.297 5.485 ( 1.401 -3.058 -4.137) 5.332 5.485 ( 1.401 -3.058 4.137) 5.332 5.684 ( 1.453 5.250 -1.667) 5.697 5.684 ( 1.453 5.250 1.667) 5.697 5.876 ( -2.491 1.559 -2.448) 3.825 5.876 ( -2.491 1.559 2.448) 3.825 5.992 ( -0.732 2.455 -3.367) 4.231 5.992 ( -0.732 2.455 3.367) 4.231 7.040 ( -6.075 1.756 -0.329) 6.332 7.040 ( -6.075 1.756 0.329) 6.332 7.158 ( 0.412 2.501 -1.714) 3.060 7.158 ( 0.412 2.501 1.714) 3.060 7.314 ( -0.251 -2.420 -1.971) 3.131 7.314 ( -0.251 -2.420 1.971) 3.131 7.532 ( -9.905 -2.873 -0.868) 10.349 7.532 ( -9.905 -2.873 0.868) 10.349 7.882 ( 7.036 -0.270 -5.564) 8.974 7.882 ( 7.036 -0.270 5.564) 8.974 8.153 ( 4.991 7.251 -7.858) 11.800 8.153 ( 4.991 7.251 7.858) 11.800 8.343 ( -1.068 -0.006 -3.961) 4.102 8.343 ( -1.068 -0.006 3.961) 4.102 8.934 ( 2.260 2.003 -2.224) 3.750 8.934 ( 2.260 2.003 2.224) 3.750 9.136 ( 0.677 -4.734 -4.507) 6.571 9.136 ( 0.677 -4.734 4.507) 6.571 9.567 ( -2.993 -3.037 -2.879) 5.145 9.567 ( -2.993 -3.037 2.879) 5.145 10.283 ( -3.543 -5.966 -3.188) 7.636 10.283 ( -3.543 -5.966 3.188) 7.636 10.564 ( 0.488 -6.256 -5.969) 8.661 10.564 ( 0.488 -6.256 5.969) 8.661 ======================= Grid point 228 (71/84) ======================= q-point: ( 0.33 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 2.092 14.073 -3.818) 14.731 1.835 ( 2.092 14.073 3.818) 14.731 2.026 ( 1.976 14.494 -1.330) 14.689 2.026 ( 1.976 14.494 1.330) 14.689 2.159 ( -3.010 9.667 -5.331) 11.442 2.159 ( -3.010 9.667 5.331) 11.442 2.454 ( -1.092 6.415 -3.354) 7.321 2.454 ( -1.092 6.415 3.354) 7.321 2.614 ( -7.851 6.522 -3.188) 10.693 2.614 ( -7.851 6.522 3.188) 10.693 3.061 ( 0.921 5.155 -8.367) 9.870 3.061 ( 0.921 5.155 8.367) 9.870 3.300 ( 0.199 3.628 -10.663) 11.265 3.300 ( 0.199 3.628 10.663) 11.265 3.562 ( 2.183 5.104 -3.110) 6.363 3.562 ( 2.183 5.104 3.110) 6.363 3.723 ( -0.245 14.537 -2.662) 14.780 3.723 ( -0.245 14.537 2.662) 14.780 3.789 ( 1.693 10.801 -2.807) 11.287 3.789 ( 1.693 10.801 2.807) 11.287 4.305 ( 3.774 16.739 -2.852) 17.394 4.305 ( 3.774 16.739 2.852) 17.394 4.395 ( 1.705 16.381 -1.890) 16.578 4.395 ( 1.705 16.381 1.890) 16.578 4.688 ( 0.120 3.619 -3.567) 5.083 4.688 ( 0.120 3.619 3.567) 5.083 4.906 ( -1.271 -2.754 -1.269) 3.287 4.906 ( -1.271 -2.754 1.269) 3.287 5.518 ( 1.740 -3.392 -3.064) 4.891 5.518 ( 1.740 -3.392 3.064) 4.891 5.716 ( 1.035 1.732 -1.792) 2.699 5.716 ( 1.035 1.732 1.792) 2.699 5.825 ( -1.686 2.817 -2.201) 3.952 5.825 ( -1.686 2.817 2.201) 3.952 5.972 ( -1.233 4.139 -2.715) 5.102 5.972 ( -1.233 4.139 2.715) 5.102 6.928 ( -4.331 -2.728 -0.198) 5.122 6.928 ( -4.331 -2.728 0.198) 5.122 7.173 ( 0.914 2.775 -1.522) 3.294 7.173 ( 0.914 2.775 1.522) 3.294 7.271 ( -4.418 -7.013 -0.617) 8.312 7.271 ( -4.418 -7.013 0.617) 8.312 7.365 ( -4.878 8.483 -1.459) 9.893 7.365 ( -4.878 8.483 1.459) 9.893 8.035 ( 7.599 2.178 -5.843) 9.829 8.035 ( 7.599 2.178 5.843) 9.829 8.219 ( 0.339 7.968 -7.491) 10.941 8.219 ( 0.339 7.968 7.491) 10.941 8.325 ( -0.104 -3.154 -2.147) 3.817 8.325 ( -0.104 -3.154 2.147) 3.817 8.999 ( 4.055 -0.333 -0.977) 4.184 8.999 ( 4.055 -0.333 0.977) 4.184 9.139 ( -0.735 -3.028 -4.621) 5.573 9.139 ( -0.735 -3.028 4.621) 5.573 9.495 ( -3.573 -4.267 -2.888) 6.270 9.495 ( -3.573 -4.267 2.888) 6.270 10.219 ( -2.424 -4.877 -0.948) 5.529 10.219 ( -2.424 -4.877 0.948) 5.529 10.564 ( -0.405 -5.266 -1.883) 5.607 10.564 ( -0.405 -5.266 1.883) 5.607 ======================= Grid point 230 (72/84) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.000 12.488 0.000) 12.488 1.898 ( 0.000 12.488 0.000) 12.488 1.955 ( 0.000 8.417 -0.000) 8.417 1.955 ( 0.000 8.417 -0.000) 8.417 2.226 ( 0.000 14.366 -0.000) 14.366 2.226 ( 0.000 14.366 -0.000) 14.366 2.397 ( -0.000 11.824 0.000) 11.824 2.397 ( 0.000 11.824 0.000) 11.824 2.523 ( 0.000 3.104 0.000) 3.104 2.523 ( 0.000 3.104 0.000) 3.104 3.085 ( 0.000 5.793 -0.000) 5.793 3.085 ( 0.000 5.793 0.000) 5.793 3.300 ( 0.000 5.188 -0.000) 5.188 3.300 ( 0.000 5.188 0.000) 5.188 3.572 ( 0.000 -3.023 0.000) 3.023 3.572 ( 0.000 -3.023 0.000) 3.023 3.712 ( 0.000 11.310 0.000) 11.310 3.712 ( 0.000 11.310 0.000) 11.310 3.826 ( 0.000 14.514 0.000) 14.514 3.826 ( 0.000 14.514 0.000) 14.514 4.351 ( 0.000 15.135 -0.000) 15.135 4.351 ( -0.000 15.135 0.000) 15.135 4.407 ( 0.000 21.448 -0.000) 21.448 4.407 ( 0.000 21.448 0.000) 21.448 4.690 ( 0.000 6.173 -0.000) 6.173 4.690 ( 0.000 6.173 0.000) 6.173 4.892 ( 0.000 -4.428 0.000) 4.428 4.892 ( 0.000 -4.428 0.000) 4.428 5.540 ( 0.000 -3.935 0.000) 3.935 5.540 ( 0.000 -3.935 0.000) 3.935 5.716 ( 0.000 -0.527 -0.000) 0.527 5.716 ( 0.000 -0.527 0.000) 0.527 5.820 ( 0.000 4.209 0.000) 4.209 5.820 ( 0.000 4.209 0.000) 4.209 5.955 ( 0.000 4.916 0.000) 4.916 5.955 ( 0.000 4.916 0.000) 4.916 6.884 ( 0.000 -4.514 -0.000) 4.514 6.884 ( 0.000 -4.514 0.000) 4.514 7.190 ( 0.000 4.629 -0.000) 4.629 7.190 ( 0.000 4.629 0.000) 4.629 7.202 ( -0.000 -7.987 0.000) 7.987 7.202 ( 0.000 -7.987 0.000) 7.987 7.327 ( 0.000 10.490 0.000) 10.490 7.327 ( 0.000 10.490 0.000) 10.490 8.159 ( -0.000 -3.108 -0.000) 3.108 8.159 ( -0.000 -3.108 0.000) 3.108 8.168 ( 0.000 11.866 -0.000) 11.866 8.168 ( 0.000 11.866 0.000) 11.866 8.332 ( 0.000 -1.488 0.000) 1.488 8.332 ( 0.000 -1.488 0.000) 1.488 9.063 ( 0.000 -2.383 -0.000) 2.383 9.063 ( 0.000 -2.383 0.000) 2.383 9.113 ( 0.000 -1.298 0.000) 1.298 9.113 ( 0.000 -1.298 0.000) 1.298 9.454 ( 0.000 -4.930 0.000) 4.930 9.454 ( 0.000 -4.930 0.000) 4.930 10.195 ( 0.000 -4.429 0.000) 4.429 10.195 ( 0.000 -4.429 0.000) 4.429 10.558 ( 0.000 -4.775 0.000) 4.775 10.558 ( 0.000 -4.775 0.000) 4.775 ======================= Grid point 238 (73/84) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.000 12.082 -1.037) 12.126 2.096 ( 0.000 12.082 1.037) 12.126 2.263 ( 0.000 3.464 -2.480) 4.260 2.263 ( 0.000 3.464 2.480) 4.260 2.373 ( 0.000 9.355 -3.069) 9.845 2.373 ( 0.000 9.355 3.069) 9.845 2.596 ( 0.000 3.013 -2.386) 3.843 2.596 ( 0.000 3.013 2.386) 3.843 2.799 ( 0.000 2.697 -0.787) 2.809 2.799 ( 0.000 2.697 0.787) 2.809 3.186 ( 0.000 -7.759 -7.876) 11.056 3.186 ( 0.000 -7.759 7.876) 11.056 3.285 ( 0.000 1.360 -9.005) 9.107 3.285 ( 0.000 1.360 9.005) 9.107 3.544 ( 0.000 3.692 -0.632) 3.745 3.544 ( 0.000 3.692 0.632) 3.745 3.961 ( 0.000 -3.083 -2.119) 3.741 3.961 ( 0.000 -3.083 2.119) 3.741 4.189 ( 0.000 26.369 -7.938) 27.538 4.189 ( 0.000 26.369 7.938) 27.538 4.450 ( 0.000 11.830 -2.403) 12.072 4.450 ( 0.000 11.830 2.403) 12.072 4.577 ( 0.000 13.256 -6.116) 14.598 4.577 ( 0.000 13.256 6.116) 14.598 4.746 ( 0.000 11.542 -5.607) 12.832 4.746 ( 0.000 11.542 5.607) 12.832 5.003 ( 0.000 4.435 -2.036) 4.880 5.003 ( 0.000 4.435 2.036) 4.880 5.402 ( 0.000 -3.465 -3.457) 4.895 5.402 ( 0.000 -3.465 3.457) 4.895 5.711 ( 0.000 -0.795 -1.809) 1.976 5.711 ( 0.000 -0.795 1.809) 1.976 5.984 ( 0.000 5.551 -2.686) 6.167 5.984 ( 0.000 5.551 2.686) 6.167 6.049 ( 0.000 2.732 -5.854) 6.460 6.049 ( 0.000 2.732 5.854) 6.460 7.047 ( 0.000 -5.886 -1.115) 5.990 7.047 ( 0.000 -5.886 1.115) 5.990 7.199 ( 0.000 -1.716 -1.199) 2.093 7.199 ( 0.000 -1.716 1.199) 2.093 7.325 ( 0.000 3.659 -1.171) 3.842 7.325 ( 0.000 3.659 1.171) 3.842 7.516 ( 0.000 -5.631 -0.683) 5.673 7.516 ( 0.000 -5.631 0.683) 5.673 7.729 ( 0.000 -2.747 -0.509) 2.793 7.729 ( 0.000 -2.747 0.509) 2.793 8.129 ( 0.000 -3.991 -5.875) 7.102 8.129 ( 0.000 -3.991 5.875) 7.102 8.486 ( 0.000 10.197 -2.017) 10.394 8.486 ( 0.000 10.197 2.017) 10.394 8.973 ( 0.000 2.266 -2.044) 3.052 8.973 ( 0.000 2.266 2.044) 3.052 9.048 ( 0.000 -1.639 -0.984) 1.912 9.048 ( 0.000 -1.639 0.984) 1.912 9.548 ( 0.000 -3.099 -2.620) 4.058 9.548 ( 0.000 -3.099 2.620) 4.058 10.219 ( 0.000 -3.932 -4.139) 5.709 10.219 ( 0.000 -3.932 4.139) 5.709 10.433 ( 0.000 -5.456 -8.020) 9.700 10.433 ( 0.000 -5.456 8.020) 9.700 ======================= Grid point 240 (74/84) ======================= q-point: ( 0.17 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -0.572 11.216 -1.950) 11.399 2.091 ( -0.572 11.216 1.950) 11.399 2.242 ( -2.227 1.823 -2.716) 3.957 2.242 ( -2.227 1.823 2.716) 3.957 2.379 ( 1.061 12.376 -4.773) 13.307 2.379 ( 1.061 12.376 4.773) 13.307 2.576 ( -1.598 3.448 -2.169) 4.376 2.576 ( -1.598 3.448 2.169) 4.376 2.794 ( -1.385 1.171 -0.419) 1.862 2.794 ( -1.385 1.171 0.419) 1.862 3.138 ( -2.620 -2.360 -6.684) 7.557 3.138 ( -2.620 -2.360 6.684) 7.557 3.297 ( 0.767 -0.313 -9.505) 9.541 3.297 ( 0.767 -0.313 9.505) 9.541 3.575 ( 1.432 1.336 -2.123) 2.888 3.575 ( 1.432 1.336 2.123) 2.888 3.914 ( -2.772 0.257 -2.107) 3.492 3.914 ( -2.772 0.257 2.107) 3.492 4.166 ( -2.184 22.740 -6.515) 23.756 4.166 ( -2.184 22.740 6.515) 23.756 4.514 ( 4.730 9.782 -3.224) 11.334 4.514 ( 4.730 9.782 3.224) 11.334 4.616 ( 3.799 12.741 -4.470) 14.027 4.616 ( 3.799 12.741 4.470) 14.027 4.774 ( 2.631 12.715 -4.010) 13.589 4.774 ( 2.631 12.715 4.010) 13.589 4.987 ( -1.455 5.085 -1.741) 5.568 4.987 ( -1.455 5.085 1.741) 5.568 5.416 ( 1.300 -3.233 -3.577) 4.994 5.416 ( 1.300 -3.233 3.577) 4.994 5.700 ( -1.098 -1.658 -1.665) 2.594 5.700 ( -1.098 -1.658 1.665) 2.594 5.966 ( -1.389 5.964 -1.733) 6.364 5.966 ( -1.389 5.964 1.733) 6.364 6.056 ( 0.492 3.113 -4.643) 5.612 6.056 ( 0.492 3.113 4.643) 5.612 6.958 ( -7.274 -5.568 -1.196) 9.238 6.958 ( -7.274 -5.568 1.196) 9.238 7.173 ( -3.084 -3.930 -1.675) 5.269 7.173 ( -3.084 -3.930 1.675) 5.269 7.308 ( -1.517 2.705 -1.322) 3.372 7.308 ( -1.517 2.705 1.322) 3.372 7.464 ( -2.994 -3.018 -1.449) 4.492 7.464 ( -2.994 -3.018 1.449) 4.492 7.838 ( 8.344 -2.710 -0.781) 8.808 7.838 ( 8.344 -2.710 0.781) 8.808 8.187 ( 4.910 -3.837 -4.426) 7.643 8.187 ( 4.910 -3.837 4.426) 7.643 8.455 ( -2.480 9.504 -0.907) 9.864 8.455 ( -2.480 9.504 0.907) 9.864 8.983 ( 0.500 2.470 -2.826) 3.787 8.983 ( 0.500 2.470 2.826) 3.787 9.065 ( 1.677 -1.886 -3.242) 4.108 9.065 ( 1.677 -1.886 3.242) 4.108 9.515 ( -3.030 -2.638 -3.454) 5.299 9.515 ( -3.030 -2.638 3.454) 5.299 10.190 ( -2.320 -3.170 -2.156) 4.481 10.190 ( -2.320 -3.170 2.156) 4.481 10.447 ( 0.967 -5.462 -5.206) 7.607 10.447 ( 0.967 -5.462 5.206) 7.607 ======================= Grid point 242 (75/84) ======================= q-point: ( 0.33 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.421 9.245 -2.772) 9.660 2.077 ( -0.421 9.245 2.772) 9.660 2.176 ( -3.947 3.641 -1.344) 5.536 2.176 ( -3.947 3.641 1.344) 5.536 2.428 ( 3.555 11.916 -6.037) 13.823 2.428 ( 3.555 11.916 6.037) 13.823 2.553 ( -0.246 3.766 -1.371) 4.015 2.553 ( -0.246 3.766 1.371) 4.015 2.717 ( -5.883 2.726 -3.510) 7.373 2.717 ( -5.883 2.726 3.510) 7.373 3.131 ( 1.429 -0.040 -5.624) 5.803 3.131 ( 1.429 -0.040 5.624) 5.803 3.323 ( 2.283 0.611 -8.111) 8.449 3.323 ( 2.283 0.611 8.111) 8.449 3.542 ( -4.650 -1.820 -0.495) 5.018 3.542 ( -4.650 -1.820 0.495) 5.018 3.912 ( 2.371 6.299 -2.243) 7.094 3.912 ( 2.371 6.299 2.243) 7.094 4.112 ( -2.949 15.329 -3.108) 15.917 4.112 ( -2.949 15.329 3.108) 15.917 4.595 ( 3.224 10.016 -3.128) 10.978 4.595 ( 3.224 10.016 3.128) 10.978 4.696 ( 2.995 7.368 -3.450) 8.670 4.696 ( 2.995 7.368 3.450) 8.670 4.835 ( 2.955 13.799 -1.863) 14.234 4.835 ( 2.955 13.799 1.863) 14.234 4.959 ( -1.015 9.079 -0.657) 9.159 4.959 ( -1.015 9.079 0.657) 9.159 5.446 ( 1.428 -2.877 -3.065) 4.440 5.446 ( 1.428 -2.877 3.065) 4.440 5.669 ( -1.810 -3.150 -1.487) 3.926 5.669 ( -1.810 -3.150 1.487) 3.926 5.946 ( -0.408 6.217 -1.101) 6.327 5.946 ( -0.408 6.217 1.101) 6.327 6.060 ( -0.149 3.893 -2.858) 4.832 6.060 ( -0.149 3.893 2.858) 4.832 6.820 ( -5.503 -5.658 -1.113) 7.970 6.820 ( -5.503 -5.658 1.113) 7.970 7.081 ( -4.976 -7.559 -0.963) 9.101 7.081 ( -4.976 -7.559 0.963) 9.101 7.287 ( -0.443 3.483 -0.757) 3.592 7.287 ( -0.443 3.483 0.757) 3.592 7.427 ( -0.938 -0.494 -0.826) 1.344 7.427 ( -0.938 -0.494 0.826) 1.344 8.000 ( 7.256 -2.832 -2.447) 8.165 8.000 ( 7.256 -2.832 2.447) 8.165 8.249 ( -0.777 -3.675 -2.733) 4.645 8.249 ( -0.777 -3.675 2.733) 4.645 8.446 ( 2.920 10.362 -6.193) 12.420 8.446 ( 2.920 10.362 6.193) 12.420 8.975 ( -1.322 -2.629 -1.568) 3.334 8.975 ( -1.322 -2.629 1.568) 3.334 9.104 ( 1.832 0.657 -3.604) 4.096 9.104 ( 1.832 0.657 3.604) 4.096 9.448 ( -3.050 -1.069 -4.200) 5.300 9.448 ( -3.050 -1.069 4.200) 5.300 10.148 ( -1.582 -2.122 -0.545) 2.703 10.148 ( -1.582 -2.122 0.545) 2.703 10.459 ( 0.255 -5.135 -1.886) 5.476 10.459 ( 0.255 -5.135 1.886) 5.476 ======================= Grid point 244 (76/84) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.000 4.982 0.000) 4.982 2.082 ( -0.000 4.982 0.000) 4.982 2.121 ( 0.000 9.076 -0.000) 9.076 2.121 ( 0.000 9.076 0.000) 9.076 2.475 ( 0.000 5.907 -0.000) 5.907 2.475 ( 0.000 5.907 0.000) 5.907 2.594 ( -0.000 7.180 -0.000) 7.180 2.594 ( -0.000 7.180 0.000) 7.180 2.601 ( 0.000 5.725 -0.000) 5.725 2.601 ( 0.000 5.725 0.000) 5.725 3.152 ( 0.000 -1.036 0.000) 1.036 3.152 ( 0.000 -1.036 0.000) 1.036 3.378 ( 0.000 4.402 -0.000) 4.402 3.378 ( 0.000 4.402 0.000) 4.402 3.455 ( -0.000 -4.843 -0.000) 4.843 3.455 ( 0.000 -4.843 0.000) 4.843 3.953 ( 0.000 10.815 0.000) 10.815 3.953 ( 0.000 10.815 0.000) 10.815 4.072 ( 0.000 9.437 0.000) 9.437 4.072 ( 0.000 9.437 0.000) 9.437 4.632 ( 0.000 10.669 0.000) 10.669 4.632 ( 0.000 10.669 0.000) 10.669 4.720 ( 0.000 3.832 0.000) 3.832 4.720 ( 0.000 3.832 0.000) 3.832 4.868 ( 0.000 11.788 -0.000) 11.788 4.868 ( 0.000 11.788 0.000) 11.788 4.951 ( -0.000 14.183 0.000) 14.183 4.951 ( -0.000 14.183 0.000) 14.183 5.462 ( 0.000 -2.792 -0.000) 2.792 5.462 ( 0.000 -2.792 0.000) 2.792 5.646 ( 0.000 -3.626 -0.000) 3.626 5.646 ( 0.000 -3.626 0.000) 3.626 5.945 ( 0.000 5.822 -0.000) 5.822 5.945 ( 0.000 5.822 0.000) 5.822 6.056 ( 0.000 4.347 -0.000) 4.347 6.056 ( 0.000 4.347 0.000) 4.347 6.763 ( 0.000 -5.709 -0.000) 5.709 6.763 ( 0.000 -5.709 0.000) 5.709 7.024 ( 0.000 -8.332 -0.000) 8.332 7.024 ( 0.000 -8.332 0.000) 8.332 7.284 ( 0.000 3.648 0.000) 3.648 7.284 ( 0.000 3.648 0.000) 3.648 7.418 ( 0.000 0.025 0.000) 0.025 7.418 ( 0.000 0.025 0.000) 0.025 8.095 ( 0.000 -2.385 0.000) 2.385 8.095 ( 0.000 -2.385 0.000) 2.385 8.207 ( 0.000 -3.312 -0.000) 3.312 8.207 ( 0.000 -3.312 0.000) 3.312 8.500 ( 0.000 11.658 0.000) 11.658 8.500 ( 0.000 11.658 0.000) 11.658 8.953 ( 0.000 -7.474 -0.000) 7.474 8.953 ( 0.000 -7.474 0.000) 7.474 9.124 ( 0.000 2.199 0.000) 2.199 9.124 ( 0.000 2.199 0.000) 2.199 9.415 ( 0.000 0.109 0.000) 0.109 9.415 ( 0.000 0.109 0.000) 0.109 10.132 ( 0.000 -1.747 0.000) 1.747 10.132 ( 0.000 -1.747 0.000) 1.747 10.461 ( 0.000 -4.882 0.000) 4.882 10.461 ( 0.000 -4.882 0.000) 4.882 ======================= Grid point 252 (77/84) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 -3.492 -2.055) 4.051 2.187 ( 0.000 -3.492 2.055) 4.051 2.302 ( 0.000 6.027 -3.154) 6.803 2.302 ( 0.000 6.027 3.154) 6.803 2.589 ( 0.000 -1.668 -3.681) 4.042 2.589 ( 0.000 -1.668 3.681) 4.042 2.607 ( 0.000 4.727 -2.203) 5.216 2.607 ( 0.000 4.727 2.203) 5.216 2.780 ( 0.000 -1.891 -1.089) 2.182 2.780 ( 0.000 -1.891 1.089) 2.182 2.962 ( 0.000 -12.222 -6.864) 14.017 2.962 ( 0.000 -12.222 6.864) 14.017 3.361 ( 0.000 6.224 -6.917) 9.305 3.361 ( 0.000 6.224 6.917) 9.305 3.622 ( 0.000 4.142 -0.681) 4.198 3.622 ( 0.000 4.142 0.681) 4.198 3.911 ( 0.000 -1.094 -0.834) 1.376 3.911 ( 0.000 -1.094 0.834) 1.376 4.545 ( 0.000 7.396 -5.237) 9.063 4.545 ( 0.000 7.396 5.237) 9.063 4.571 ( 0.000 5.092 -3.814) 6.362 4.571 ( 0.000 5.092 3.814) 6.362 4.888 ( 0.000 12.359 -3.501) 12.845 4.888 ( 0.000 12.359 3.501) 12.845 5.001 ( 0.000 9.128 -1.021) 9.185 5.001 ( 0.000 9.128 1.021) 9.185 5.129 ( 0.000 9.912 -2.805) 10.301 5.129 ( 0.000 9.912 2.805) 10.301 5.347 ( 0.000 -1.169 -1.714) 2.074 5.347 ( 0.000 -1.169 1.714) 2.074 5.704 ( 0.000 0.579 -0.663) 0.880 5.704 ( 0.000 0.579 0.663) 0.880 6.059 ( 0.000 1.464 -4.782) 5.001 6.059 ( 0.000 1.464 4.782) 5.001 6.118 ( 0.000 3.906 -2.038) 4.406 6.118 ( 0.000 3.906 2.038) 4.406 6.952 ( 0.000 -3.246 -1.149) 3.443 6.952 ( 0.000 -3.246 1.149) 3.443 7.129 ( 0.000 -4.032 -1.199) 4.207 7.129 ( 0.000 -4.032 1.199) 4.207 7.383 ( 0.000 1.436 -0.252) 1.458 7.383 ( 0.000 1.436 0.252) 1.458 7.448 ( 0.000 -1.062 -1.668) 1.977 7.448 ( 0.000 -1.062 1.668) 1.977 7.694 ( 0.000 -0.764 -2.967) 3.063 7.694 ( 0.000 -0.764 2.967) 3.063 8.015 ( 0.000 -6.065 -2.715) 6.645 8.015 ( 0.000 -6.065 2.715) 6.645 8.698 ( 0.000 10.224 -1.596) 10.348 8.698 ( 0.000 10.224 1.596) 10.348 9.004 ( 0.000 1.492 -2.142) 2.611 9.004 ( 0.000 1.492 2.142) 2.611 9.052 ( 0.000 0.890 -3.707) 3.812 9.052 ( 0.000 0.890 3.707) 3.812 9.458 ( 0.000 -5.742 -0.592) 5.772 9.458 ( 0.000 -5.742 0.592) 5.772 10.165 ( 0.000 -1.518 -1.846) 2.390 10.165 ( 0.000 -1.518 1.846) 2.390 10.332 ( 0.000 -4.389 -5.284) 6.869 10.332 ( 0.000 -4.389 5.284) 6.869 ======================= Grid point 254 (78/84) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 0.188 -2.121 -1.636) 2.685 2.189 ( 0.188 -2.121 1.636) 2.685 2.282 ( -1.734 5.415 -2.619) 6.260 2.282 ( -1.734 5.415 2.619) 6.260 2.556 ( -2.597 -0.620 -3.549) 4.441 2.556 ( -2.597 -0.620 3.549) 4.441 2.630 ( 1.543 3.528 -2.270) 4.470 2.630 ( 1.543 3.528 2.270) 4.470 2.765 ( -1.356 -1.491 -1.863) 2.745 2.765 ( -1.356 -1.491 1.863) 2.745 2.960 ( -0.153 -12.223 -5.385) 13.357 2.960 ( -0.153 -12.223 5.385) 13.357 3.375 ( 1.493 6.851 -6.206) 9.364 3.375 ( 1.493 6.851 6.206) 9.364 3.629 ( -0.208 4.180 -1.026) 4.309 3.629 ( -0.208 4.180 1.026) 4.309 3.915 ( 1.538 0.211 -0.992) 1.842 3.915 ( 1.538 0.211 0.992) 1.842 4.489 ( -5.468 8.989 -4.207) 11.331 4.489 ( -5.468 8.989 4.207) 11.331 4.611 ( 3.726 3.189 -3.755) 6.177 4.611 ( 3.726 3.189 3.755) 6.177 4.866 ( -1.993 8.429 -2.698) 9.072 4.866 ( -1.993 8.429 2.698) 9.072 5.032 ( 2.417 8.968 -0.678) 9.313 5.032 ( 2.417 8.968 0.678) 9.313 5.146 ( 2.077 10.721 -2.096) 11.120 5.146 ( 2.077 10.721 2.096) 11.120 5.379 ( 2.710 0.505 -2.215) 3.537 5.379 ( 2.710 0.505 2.215) 3.537 5.682 ( -2.114 0.190 -0.897) 2.304 5.682 ( -2.114 0.190 0.897) 2.304 6.058 ( -0.269 2.662 -3.361) 4.296 6.058 ( -0.269 2.662 3.361) 4.296 6.116 ( -0.024 2.833 -1.861) 3.390 6.116 ( -0.024 2.833 1.861) 3.390 6.870 ( -6.970 -2.876 -1.517) 7.691 6.870 ( -6.970 -2.876 1.517) 7.691 7.069 ( -5.801 -5.278 -1.258) 7.943 7.069 ( -5.801 -5.278 1.258) 7.943 7.354 ( -1.725 1.299 -0.067) 2.160 7.354 ( -1.725 1.299 0.067) 2.160 7.424 ( -1.456 -0.803 -2.027) 2.622 7.424 ( -1.456 -0.803 2.027) 2.622 7.799 ( 8.150 -1.058 -2.367) 8.552 7.799 ( 8.150 -1.058 2.367) 8.552 8.085 ( 5.903 -5.248 -2.141) 8.183 8.085 ( 5.903 -5.248 2.141) 8.183 8.645 ( -3.928 8.941 -0.901) 9.807 8.645 ( -3.928 8.941 0.901) 9.807 9.002 ( -2.300 -0.900 -1.042) 2.681 9.002 ( -2.300 -0.900 1.042) 2.681 9.081 ( 3.753 3.234 -1.307) 5.124 9.081 ( 3.753 3.234 1.307) 5.124 9.443 ( -1.240 -4.521 -3.219) 5.687 9.443 ( -1.240 -4.521 3.219) 5.687 10.152 ( -1.124 -0.738 -1.386) 1.931 10.152 ( -1.124 -0.738 1.386) 1.931 10.341 ( 0.730 -4.848 -3.833) 6.223 10.341 ( 0.730 -4.848 3.833) 6.223 ======================= Grid point 256 (79/84) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -0.652 2.284 -0.192) 2.383 2.187 ( -0.652 2.284 0.192) 2.383 2.254 ( -0.495 3.958 -1.908) 4.422 2.254 ( -0.495 3.958 1.908) 4.422 2.497 ( -2.886 -2.598 -2.784) 4.778 2.497 ( -2.886 -2.598 2.784) 4.778 2.661 ( 1.547 3.639 -2.644) 4.757 2.661 ( 1.547 3.639 2.644) 4.757 2.735 ( -1.521 0.575 -2.487) 2.971 2.735 ( -1.521 0.575 2.487) 2.971 2.959 ( 0.082 -13.597 -2.621) 13.847 2.959 ( 0.082 -13.597 2.621) 13.847 3.421 ( 3.166 7.528 -4.611) 9.378 3.421 ( 3.166 7.528 4.611) 9.378 3.587 ( -3.766 5.372 -1.626) 6.759 3.587 ( -3.766 5.372 1.626) 6.759 4.002 ( 6.878 2.802 -0.771) 7.466 4.002 ( 6.878 2.802 0.771) 7.466 4.349 ( -8.177 7.903 -2.508) 11.645 4.349 ( -8.177 7.903 2.508) 11.645 4.692 ( 3.803 2.361 -2.830) 5.296 4.692 ( 3.803 2.361 2.830) 5.296 4.816 ( -2.720 4.251 -1.429) 5.245 4.816 ( -2.720 4.251 1.429) 5.245 5.084 ( 2.712 9.614 -0.674) 10.012 5.084 ( 2.712 9.614 0.674) 10.012 5.201 ( 2.638 10.466 -0.772) 10.821 5.201 ( 2.638 10.466 0.772) 10.821 5.432 ( 2.258 2.402 -2.414) 4.086 5.432 ( 2.258 2.402 2.414) 4.086 5.630 ( -2.731 -0.670 -1.484) 3.180 5.630 ( -2.731 -0.670 1.484) 3.180 6.047 ( -0.591 3.797 -0.782) 3.921 6.047 ( -0.591 3.797 0.782) 3.921 6.119 ( 0.114 1.810 -1.429) 2.309 6.119 ( 0.114 1.810 1.429) 2.309 6.735 ( -5.292 -2.487 -1.669) 6.081 6.735 ( -5.292 -2.487 1.669) 6.081 6.937 ( -6.207 -6.494 -0.571) 9.001 6.937 ( -6.207 -6.494 0.571) 9.001 7.334 ( -0.379 1.242 -0.088) 1.301 7.334 ( -0.379 1.242 0.088) 1.301 7.401 ( -0.865 -1.352 -1.333) 2.086 7.401 ( -0.865 -1.352 1.333) 2.086 7.964 ( 7.933 -0.621 -2.495) 8.339 7.964 ( 7.933 -0.621 2.495) 8.339 8.177 ( 1.337 -3.288 -1.175) 3.739 8.177 ( 1.337 -3.288 1.175) 3.739 8.609 ( 1.796 6.192 -4.287) 7.743 8.609 ( 1.796 6.192 4.287) 7.743 8.914 ( -6.153 -2.936 -1.587) 7.000 8.914 ( -6.153 -2.936 1.587) 7.000 9.157 ( 3.101 3.930 -1.917) 5.361 9.157 ( 3.101 3.930 1.917) 5.361 9.421 ( -0.785 -2.040 -3.474) 4.104 9.421 ( -0.785 -2.040 3.474) 4.104 10.131 ( -0.836 0.341 -0.815) 1.216 10.131 ( -0.836 0.341 0.815) 1.216 10.353 ( 0.380 -5.300 -1.647) 5.563 10.353 ( 0.380 -5.300 1.647) 5.563 ======================= Grid point 258 (80/84) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.000 4.610 0.000) 4.610 2.175 ( 0.000 4.610 0.000) 4.610 2.255 ( 0.000 4.196 -0.000) 4.196 2.255 ( 0.000 4.196 0.000) 4.196 2.464 ( 0.000 -4.327 -0.000) 4.327 2.464 ( 0.000 -4.327 0.000) 4.327 2.684 ( 0.000 1.406 -0.000) 1.406 2.684 ( 0.000 1.406 0.000) 1.406 2.712 ( -0.000 3.929 -0.000) 3.929 2.712 ( 0.000 3.929 0.000) 3.929 2.961 ( 0.000 -14.716 0.000) 14.716 2.961 ( 0.000 -14.716 0.000) 14.716 3.488 ( -0.000 6.134 0.000) 6.134 3.488 ( 0.000 6.134 0.000) 6.134 3.512 ( 0.000 7.819 -0.000) 7.819 3.512 ( 0.000 7.819 -0.000) 7.819 4.137 ( -0.000 7.100 -0.000) 7.100 4.137 ( 0.000 7.100 0.000) 7.100 4.204 ( 0.000 3.880 -0.000) 3.880 4.204 ( 0.000 3.880 0.000) 3.880 4.744 ( 0.000 1.173 -0.000) 1.173 4.744 ( 0.000 1.173 0.000) 1.173 4.774 ( 0.000 3.995 0.000) 3.995 4.774 ( 0.000 3.995 0.000) 3.995 5.119 ( 0.000 11.002 0.000) 11.002 5.119 ( 0.000 11.002 0.000) 11.002 5.229 ( -0.000 9.283 0.000) 9.283 5.229 ( 0.000 9.283 0.000) 9.283 5.457 ( 0.000 2.812 -0.000) 2.812 5.457 ( 0.000 2.812 0.000) 2.812 5.597 ( 0.000 -1.098 -0.000) 1.098 5.597 ( 0.000 -1.098 0.000) 1.098 6.042 ( 0.000 3.788 -0.000) 3.788 6.042 ( 0.000 3.788 0.000) 3.788 6.118 ( 0.000 1.751 -0.000) 1.751 6.118 ( 0.000 1.751 0.000) 1.751 6.683 ( 0.000 -2.047 -0.000) 2.047 6.683 ( 0.000 -2.047 0.000) 2.047 6.867 ( 0.000 -7.141 -0.000) 7.141 6.867 ( 0.000 -7.141 0.000) 7.141 7.331 ( 0.000 1.261 0.000) 1.261 7.331 ( 0.000 1.261 0.000) 1.261 7.392 ( 0.000 -1.766 -0.000) 1.766 7.392 ( 0.000 -1.766 0.000) 1.766 8.081 ( 0.000 0.833 -0.000) 0.833 8.081 ( -0.000 0.833 0.000) 0.833 8.145 ( 0.000 -2.367 -0.000) 2.367 8.145 ( 0.000 -2.367 0.000) 2.367 8.677 ( 0.000 5.680 0.000) 5.680 8.677 ( 0.000 5.680 0.000) 5.680 8.810 ( -0.000 -5.711 -0.000) 5.711 8.810 ( 0.000 -5.711 0.000) 5.711 9.190 ( 0.000 4.015 0.000) 4.015 9.190 ( 0.000 4.015 0.000) 4.015 9.414 ( 0.000 -0.866 -0.000) 0.866 9.414 ( 0.000 -0.866 0.000) 0.866 10.122 ( 0.000 0.731 0.000) 0.731 10.122 ( 0.000 0.731 0.000) 0.731 10.356 ( 0.000 -5.385 0.000) 5.385 10.356 ( 0.000 -5.385 0.000) 5.385 ======================= Grid point 266 (81/84) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 -1.471 -0.994) 1.775 2.130 ( 0.000 -1.471 0.994) 1.775 2.375 ( 0.000 1.357 -1.292) 1.874 2.375 ( 0.000 1.357 1.292) 1.874 2.489 ( 0.000 -4.605 -0.424) 4.625 2.489 ( 0.000 -4.605 0.424) 4.625 2.578 ( 0.000 -4.050 -1.780) 4.424 2.578 ( 0.000 -4.050 1.780) 4.424 2.804 ( 0.000 0.268 -1.071) 1.104 2.804 ( 0.000 0.268 1.071) 1.104 2.818 ( 0.000 -0.458 -0.007) 0.458 2.818 ( 0.000 -0.458 0.007) 0.458 3.481 ( 0.000 3.966 -2.534) 4.706 3.481 ( 0.000 3.966 2.534) 4.706 3.691 ( 0.000 1.975 -0.330) 2.003 3.691 ( 0.000 1.975 0.330) 2.003 3.907 ( 0.000 0.280 -0.038) 0.282 3.907 ( 0.000 0.280 0.038) 0.282 4.610 ( 0.000 2.041 -2.305) 3.078 4.610 ( 0.000 2.041 2.305) 3.078 4.656 ( 0.000 1.272 -2.561) 2.859 4.656 ( 0.000 1.272 2.561) 2.859 4.928 ( 0.000 -1.770 -1.790) 2.517 4.928 ( 0.000 -1.770 1.790) 2.517 5.190 ( 0.000 5.107 -1.113) 5.227 5.190 ( 0.000 5.107 1.113) 5.227 5.301 ( 0.000 4.794 -1.304) 4.968 5.301 ( 0.000 4.794 1.304) 4.968 5.370 ( 0.000 2.475 -0.094) 2.476 5.370 ( 0.000 2.475 0.094) 2.476 5.723 ( 0.000 0.771 -0.241) 0.808 5.723 ( 0.000 0.771 0.241) 0.808 6.071 ( 0.000 0.103 -2.398) 2.400 6.071 ( 0.000 0.103 2.398) 2.400 6.176 ( 0.000 1.500 -0.311) 1.532 6.176 ( 0.000 1.500 0.311) 1.532 6.914 ( 0.000 -0.721 -0.457) 0.854 6.914 ( 0.000 -0.721 0.457) 0.854 7.062 ( 0.000 -2.018 -0.554) 2.092 7.062 ( 0.000 -2.018 0.554) 2.092 7.391 ( 0.000 0.001 -0.088) 0.088 7.391 ( 0.000 0.001 0.088) 0.088 7.451 ( 0.000 0.445 -0.466) 0.644 7.451 ( 0.000 0.445 0.466) 0.644 7.690 ( 0.000 0.117 -2.130) 2.134 7.690 ( 0.000 0.117 2.130) 2.134 7.917 ( 0.000 -2.893 -1.153) 3.115 7.917 ( 0.000 -2.893 1.153) 3.115 8.887 ( 0.000 7.739 -0.192) 7.742 8.887 ( 0.000 7.739 0.192) 7.742 9.005 ( 0.000 -2.543 -1.205) 2.814 9.005 ( 0.000 -2.543 1.205) 2.814 9.087 ( 0.000 2.662 -0.742) 2.764 9.087 ( 0.000 2.662 0.742) 2.764 9.336 ( 0.000 -5.075 -0.526) 5.103 9.336 ( 0.000 -5.075 0.526) 5.103 10.149 ( 0.000 -0.254 -0.390) 0.465 10.149 ( 0.000 -0.254 0.390) 0.465 10.264 ( 0.000 -1.939 -1.943) 2.745 10.264 ( 0.000 -1.939 1.943) 2.745 ======================= Grid point 268 (82/84) ======================= q-point: ( 0.17 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 2.125 -1.023 -0.741) 2.472 2.152 ( 2.125 -1.023 0.741) 2.472 2.360 ( -1.271 3.057 -1.158) 3.507 2.360 ( -1.271 3.057 1.158) 3.507 2.490 ( -0.474 -4.465 -0.079) 4.491 2.490 ( -0.474 -4.465 0.079) 4.491 2.555 ( -1.683 -5.880 -1.811) 6.378 2.555 ( -1.683 -5.880 1.811) 6.378 2.795 ( -0.788 0.971 -1.552) 1.993 2.795 ( -0.788 0.971 1.552) 1.993 2.812 ( -0.553 -1.099 -0.286) 1.263 2.812 ( -0.553 -1.099 0.286) 1.263 3.499 ( 1.782 3.899 -2.230) 4.832 3.499 ( 1.782 3.899 2.230) 4.832 3.707 ( 0.706 2.420 -0.601) 2.591 3.707 ( 0.706 2.420 0.601) 2.591 3.923 ( 2.512 0.366 -0.351) 2.563 3.923 ( 2.512 0.366 0.351) 2.563 4.576 ( -4.185 1.369 -1.944) 4.814 4.576 ( -4.185 1.369 1.944) 4.814 4.672 ( 2.143 1.855 -2.398) 3.712 4.672 ( 2.143 1.855 2.398) 3.712 4.922 ( -1.262 -0.217 -1.556) 2.016 4.922 ( -1.262 -0.217 1.556) 2.016 5.153 ( -1.138 2.635 -0.566) 2.925 5.153 ( -1.138 2.635 0.566) 2.925 5.314 ( 1.287 4.570 -0.901) 4.833 5.314 ( 1.287 4.570 0.901) 4.833 5.439 ( 4.851 3.369 -0.763) 5.955 5.439 ( 4.851 3.369 0.763) 5.955 5.695 ( -2.708 0.579 -0.395) 2.798 5.695 ( -2.708 0.579 0.395) 2.798 6.086 ( 1.286 0.487 -2.167) 2.566 6.086 ( 1.286 0.487 2.167) 2.566 6.159 ( -1.463 1.154 -0.376) 1.901 6.159 ( -1.463 1.154 0.376) 1.901 6.839 ( -6.494 -0.427 -0.752) 6.551 6.839 ( -6.494 -0.427 0.752) 6.551 6.983 ( -6.982 -2.579 -0.464) 7.458 6.983 ( -6.982 -2.579 0.464) 7.458 7.365 ( -1.661 0.148 -0.316) 1.697 7.365 ( -1.661 0.148 0.316) 1.697 7.422 ( -2.064 0.139 -0.883) 2.249 7.422 ( -2.064 0.139 0.883) 2.249 7.790 ( 8.145 -0.042 -1.681) 8.317 7.790 ( 8.145 -0.042 1.681) 8.317 8.002 ( 6.961 -2.433 -1.019) 7.444 8.002 ( 6.961 -2.433 1.019) 7.444 8.815 ( -5.670 7.531 -1.066) 9.487 8.815 ( -5.670 7.531 1.066) 9.487 8.950 ( -4.036 -4.327 -1.397) 6.080 8.950 ( -4.036 -4.327 1.397) 6.080 9.165 ( 5.053 4.164 -0.421) 6.561 9.165 ( 5.053 4.164 0.421) 6.561 9.343 ( 0.689 -4.583 -1.968) 5.035 9.343 ( 0.689 -4.583 1.968) 5.035 10.153 ( 0.297 0.507 -0.907) 1.081 10.153 ( 0.297 0.507 0.907) 1.081 10.260 ( -0.358 -2.629 -1.777) 3.193 10.260 ( -0.358 -2.629 1.777) 3.193 ======================= Grid point 270 (83/84) ======================= q-point: ( 0.33 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 3.882 0.426 -0.166) 3.909 2.213 ( 3.882 0.426 0.166) 3.909 2.333 ( -1.365 5.056 -1.401) 5.421 2.333 ( -1.365 5.056 1.401) 5.421 2.443 ( -3.796 -1.465 -1.005) 4.191 2.443 ( -3.796 -1.465 1.005) 4.191 2.545 ( 0.431 -11.527 -0.691) 11.556 2.545 ( 0.431 -11.527 0.691) 11.556 2.777 ( -0.906 1.489 -1.327) 2.191 2.777 ( -0.906 1.489 1.327) 2.191 2.797 ( -0.807 -1.424 -0.363) 1.677 2.797 ( -0.807 -1.424 0.363) 1.677 3.549 ( 3.104 3.835 -1.731) 5.228 3.549 ( 3.104 3.835 1.731) 5.228 3.686 ( -2.612 3.021 -0.967) 4.109 3.686 ( -2.612 3.021 0.967) 4.109 4.038 ( 8.760 0.864 -0.210) 8.805 4.038 ( 8.760 0.864 0.210) 8.805 4.443 ( -8.846 1.989 -1.394) 9.174 4.443 ( -8.846 1.989 1.394) 9.174 4.728 ( 3.134 1.038 -1.488) 3.622 4.728 ( 3.134 1.038 1.488) 3.622 4.867 ( -3.625 1.083 -0.985) 3.909 4.867 ( -3.625 1.083 0.985) 3.909 5.193 ( 4.524 1.744 -0.397) 4.865 5.193 ( 4.524 1.744 0.397) 4.865 5.337 ( 0.350 3.426 -0.648) 3.504 5.337 ( 0.350 3.426 0.648) 3.504 5.519 ( 2.756 3.803 -1.027) 4.808 5.519 ( 2.756 3.803 1.027) 4.808 5.627 ( -3.466 -0.032 -1.033) 3.617 5.627 ( -3.466 -0.032 1.033) 3.617 6.105 ( 0.145 1.941 -1.100) 2.235 6.105 ( 0.145 1.941 1.100) 2.235 6.134 ( -0.541 -0.191 -0.123) 0.587 6.134 ( -0.541 -0.191 0.123) 0.587 6.715 ( -4.579 0.058 -1.107) 4.711 6.715 ( -4.579 0.058 1.107) 4.711 6.831 ( -7.229 -3.302 -0.361) 7.956 6.831 ( -7.229 -3.302 0.361) 7.956 7.345 ( -0.316 0.116 -0.318) 0.463 7.345 ( -0.316 0.116 0.318) 0.463 7.383 ( -1.672 -0.388 -0.764) 1.879 7.383 ( -1.672 -0.388 0.764) 1.879 7.964 ( 8.691 0.294 -1.540) 8.831 7.964 ( 8.691 0.294 1.540) 8.831 8.124 ( 3.698 -1.611 -0.316) 4.046 8.124 ( 3.698 -1.611 0.316) 4.046 8.720 ( -2.653 4.681 -1.655) 5.630 8.720 ( -2.653 4.681 1.655) 5.630 8.849 ( -5.825 -3.418 -0.579) 6.778 8.849 ( -5.825 -3.418 0.579) 6.778 9.249 ( 3.091 4.691 -0.591) 5.649 9.249 ( 3.091 4.691 0.591) 5.649 9.359 ( 0.840 -3.811 -1.841) 4.315 9.359 ( 0.840 -3.811 1.841) 4.315 10.159 ( 0.278 2.216 -0.918) 2.415 10.159 ( 0.278 2.216 0.918) 2.415 10.252 ( -0.385 -4.176 -1.163) 4.352 10.252 ( -0.385 -4.176 1.163) 4.352 ======================= Grid point 272 (84/84) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.000 5.298 0.000) 5.298 2.281 ( 0.000 5.298 0.000) 5.298 2.304 ( -0.000 1.150 -0.000) 1.150 2.304 ( 0.000 1.150 -0.000) 1.150 2.388 ( 0.000 -0.535 -0.000) 0.535 2.388 ( 0.000 -0.535 0.000) 0.535 2.552 ( 0.000 -13.131 -0.000) 13.131 2.552 ( 0.000 -13.131 0.000) 13.131 2.766 ( 0.000 1.616 -0.000) 1.616 2.766 ( 0.000 1.616 0.000) 1.616 2.788 ( 0.000 -1.367 -0.000) 1.367 2.788 ( 0.000 -1.367 0.000) 1.367 3.608 ( -0.000 4.384 0.000) 4.384 3.608 ( 0.000 4.384 0.000) 4.384 3.630 ( -0.000 2.665 -0.000) 2.665 3.630 ( 0.000 2.665 -0.000) 2.665 4.234 ( -0.000 2.517 0.000) 2.517 4.234 ( 0.000 2.517 0.000) 2.517 4.248 ( -0.000 0.807 -0.000) 0.807 4.248 ( 0.000 0.807 -0.000) 0.807 4.780 ( 0.000 2.052 0.000) 2.052 4.780 ( 0.000 2.052 -0.000) 2.052 4.809 ( -0.000 -0.254 0.000) 0.254 4.809 ( 0.000 -0.254 0.000) 0.254 5.277 ( 0.000 4.520 -0.000) 4.520 5.277 ( 0.000 4.520 -0.000) 4.520 5.314 ( -0.000 0.621 0.000) 0.621 5.314 ( 0.000 0.621 0.000) 0.621 5.545 ( -0.000 3.990 -0.000) 3.990 5.545 ( 0.000 3.990 0.000) 3.990 5.588 ( 0.000 -0.562 -0.000) 0.562 5.588 ( 0.000 -0.562 0.000) 0.562 6.103 ( 0.000 2.263 0.000) 2.263 6.103 ( 0.000 2.263 0.000) 2.263 6.131 ( 0.000 -0.425 -0.000) 0.425 6.131 ( 0.000 -0.425 0.000) 0.425 6.678 ( 0.000 1.497 -0.000) 1.497 6.678 ( 0.000 1.497 0.000) 1.497 6.742 ( 0.000 -4.822 -0.000) 4.822 6.742 ( 0.000 -4.822 0.000) 4.822 7.347 ( -0.000 0.545 0.000) 0.545 7.347 ( 0.000 0.545 0.000) 0.545 7.362 ( 0.000 -1.088 -0.000) 1.088 7.362 ( 0.000 -1.088 0.000) 1.088 8.103 ( -0.000 0.829 -0.000) 0.829 8.103 ( -0.000 0.829 0.000) 0.829 8.115 ( 0.000 -0.711 -0.000) 0.711 8.115 ( 0.000 -0.711 0.000) 0.711 8.737 ( 0.000 0.684 -0.000) 0.684 8.737 ( 0.000 0.684 0.000) 0.684 8.742 ( -0.000 -1.029 -0.000) 1.029 8.742 ( -0.000 -1.029 0.000) 1.029 9.281 ( -0.000 4.777 0.000) 4.777 9.281 ( 0.000 4.777 0.000) 4.777 9.369 ( 0.000 -3.526 0.000) 3.526 9.369 ( 0.000 -3.526 0.000) 3.526 10.162 ( 0.000 3.201 0.000) 3.201 10.162 ( 0.000 3.201 0.000) 3.201 10.248 ( 0.000 -5.071 0.000) 5.071 10.248 ( 0.000 -5.071 0.000) 5.071 =================== 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 3/18720 10.0 373.505 515.002 549.602 0.000 0.000 0.000 3/18720 20.0 87.899 157.441 85.321 0.000 0.000 0.000 3/18720 30.0 33.903 69.819 31.781 0.000 0.000 0.000 3/18720 40.0 18.541 41.267 17.482 0.000 0.000 0.000 3/18720 50.0 12.143 28.484 11.572 0.000 0.000 0.000 3/18720 60.0 8.836 21.506 8.488 0.000 0.000 0.000 3/18720 70.0 6.882 17.197 6.642 0.000 0.000 0.000 3/18720 80.0 5.615 14.305 5.434 0.000 0.000 0.000 3/18720 90.0 4.739 12.243 4.592 0.000 0.000 0.000 3/18720 100.0 4.100 10.706 3.975 0.000 0.000 0.000 3/18720 110.0 3.616 9.518 3.506 0.000 0.000 0.000 3/18720 120.0 3.237 8.573 3.138 0.000 0.000 0.000 3/18720 130.0 2.932 7.804 2.842 0.000 0.000 0.000 3/18720 140.0 2.681 7.165 2.599 0.000 0.000 0.000 3/18720 150.0 2.472 6.626 2.395 0.000 0.000 0.000 3/18720 160.0 2.294 6.166 2.223 0.000 0.000 0.000 3/18720 170.0 2.141 5.767 2.074 0.000 0.000 0.000 3/18720 180.0 2.008 5.418 1.945 0.000 0.000 0.000 3/18720 190.0 1.892 5.110 1.831 0.000 0.000 0.000 3/18720 200.0 1.788 4.836 1.731 0.000 0.000 0.000 3/18720 210.0 1.696 4.591 1.641 0.000 0.000 0.000 3/18720 220.0 1.612 4.370 1.561 0.000 0.000 0.000 3/18720 230.0 1.537 4.170 1.488 0.000 0.000 0.000 3/18720 240.0 1.469 3.988 1.422 0.000 0.000 0.000 3/18720 250.0 1.407 3.822 1.362 0.000 0.000 0.000 3/18720 260.0 1.350 3.669 1.307 0.000 0.000 0.000 3/18720 270.0 1.298 3.528 1.256 0.000 0.000 0.000 3/18720 280.0 1.249 3.398 1.209 0.000 0.000 0.000 3/18720 290.0 1.204 3.277 1.165 0.000 0.000 0.000 3/18720 300.0 1.163 3.164 1.125 0.000 0.000 0.000 3/18720 310.0 1.124 3.060 1.087 0.000 0.000 0.000 3/18720 320.0 1.087 2.962 1.052 0.000 0.000 0.000 3/18720 330.0 1.053 2.870 1.019 0.000 0.000 0.000 3/18720 340.0 1.022 2.784 0.988 0.000 0.000 0.000 3/18720 350.0 0.992 2.702 0.959 0.000 0.000 0.000 3/18720 360.0 0.963 2.626 0.932 0.000 0.000 0.000 3/18720 370.0 0.937 2.554 0.906 0.000 0.000 0.000 3/18720 380.0 0.911 2.486 0.882 0.000 0.000 0.000 3/18720 390.0 0.888 2.421 0.859 0.000 0.000 0.000 3/18720 400.0 0.865 2.359 0.837 0.000 0.000 0.000 3/18720 410.0 0.843 2.301 0.816 0.000 0.000 0.000 3/18720 420.0 0.823 2.246 0.796 0.000 0.000 0.000 3/18720 430.0 0.803 2.193 0.777 0.000 0.000 0.000 3/18720 440.0 0.785 2.142 0.759 0.000 0.000 0.000 3/18720 450.0 0.767 2.094 0.742 0.000 0.000 0.000 3/18720 460.0 0.750 2.048 0.726 0.000 0.000 0.000 3/18720 470.0 0.734 2.004 0.710 0.000 0.000 0.000 3/18720 480.0 0.719 1.962 0.695 0.000 0.000 0.000 3/18720 490.0 0.704 1.922 0.681 0.000 0.000 0.000 3/18720 500.0 0.690 1.883 0.667 0.000 0.000 0.000 3/18720 510.0 0.676 1.846 0.654 0.000 0.000 0.000 3/18720 520.0 0.663 1.810 0.641 0.000 0.000 0.000 3/18720 530.0 0.650 1.776 0.629 0.000 0.000 0.000 3/18720 540.0 0.638 1.743 0.617 0.000 0.000 0.000 3/18720 550.0 0.626 1.711 0.606 0.000 0.000 0.000 3/18720 560.0 0.615 1.680 0.595 0.000 0.000 0.000 3/18720 570.0 0.604 1.650 0.584 0.000 0.000 0.000 3/18720 580.0 0.594 1.622 0.574 0.000 0.000 0.000 3/18720 590.0 0.583 1.594 0.564 0.000 0.000 0.000 3/18720 600.0 0.574 1.567 0.555 0.000 0.000 0.000 3/18720 610.0 0.564 1.542 0.546 0.000 0.000 0.000 3/18720 620.0 0.555 1.517 0.537 0.000 0.000 0.000 3/18720 630.0 0.546 1.492 0.528 0.000 0.000 0.000 3/18720 640.0 0.538 1.469 0.520 0.000 0.000 0.000 3/18720 650.0 0.529 1.446 0.512 0.000 0.000 0.000 3/18720 660.0 0.521 1.424 0.504 0.000 0.000 0.000 3/18720 670.0 0.513 1.403 0.497 0.000 0.000 0.000 3/18720 680.0 0.506 1.382 0.489 0.000 0.000 0.000 3/18720 690.0 0.498 1.362 0.482 0.000 0.000 0.000 3/18720 700.0 0.491 1.343 0.475 0.000 0.000 0.000 3/18720 710.0 0.484 1.324 0.469 0.000 0.000 0.000 3/18720 720.0 0.478 1.305 0.462 0.000 0.000 0.000 3/18720 730.0 0.471 1.287 0.456 0.000 0.000 0.000 3/18720 740.0 0.465 1.270 0.449 0.000 0.000 0.000 3/18720 750.0 0.458 1.253 0.443 0.000 0.000 0.000 3/18720 760.0 0.452 1.236 0.438 0.000 0.000 0.000 3/18720 770.0 0.446 1.220 0.432 0.000 0.000 0.000 3/18720 780.0 0.441 1.205 0.426 0.000 0.000 0.000 3/18720 790.0 0.435 1.189 0.421 0.000 0.000 0.000 3/18720 800.0 0.430 1.175 0.416 0.000 0.000 0.000 3/18720 810.0 0.424 1.160 0.410 0.000 0.000 0.000 3/18720 820.0 0.419 1.146 0.405 0.000 0.000 0.000 3/18720 830.0 0.414 1.132 0.401 0.000 0.000 0.000 3/18720 840.0 0.409 1.119 0.396 0.000 0.000 0.000 3/18720 850.0 0.404 1.105 0.391 0.000 0.000 0.000 3/18720 860.0 0.400 1.092 0.387 0.000 0.000 0.000 3/18720 870.0 0.395 1.080 0.382 0.000 0.000 0.000 3/18720 880.0 0.390 1.068 0.378 0.000 0.000 0.000 3/18720 890.0 0.386 1.056 0.373 0.000 0.000 0.000 3/18720 900.0 0.382 1.044 0.369 0.000 0.000 0.000 3/18720 910.0 0.378 1.032 0.365 0.000 0.000 0.000 3/18720 920.0 0.373 1.021 0.361 0.000 0.000 0.000 3/18720 930.0 0.369 1.010 0.357 0.000 0.000 0.000 3/18720 940.0 0.365 0.999 0.354 0.000 0.000 0.000 3/18720 950.0 0.362 0.989 0.350 0.000 0.000 0.000 3/18720 960.0 0.358 0.979 0.346 0.000 0.000 0.000 3/18720 970.0 0.354 0.968 0.343 0.000 0.000 0.000 3/18720 980.0 0.350 0.959 0.339 0.000 0.000 0.000 3/18720 990.0 0.347 0.949 0.336 0.000 0.000 0.000 3/18720 1000.0 0.343 0.939 0.332 0.000 0.000 0.000 3/18720 Thermal conductivity related properties were written into "kappa-m6134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:27:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|