----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:18:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] 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 10.579199089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844967169999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275365569999998 Atomic positions (fractional): *1 S 0.72882700682060 0.25000000000000 0.30041442854075 32.065 2 S 0.27117299317940 0.75000000000000 0.69958557145925 32.065 3 S 0.77117299317940 0.75000000000000 0.80041442854075 32.065 4 S 0.22882700682060 0.25000000000000 0.19958557145925 32.065 *5 S 0.37937794866193 0.25000000000000 0.94397638418223 32.065 6 S 0.62062205133807 0.75000000000000 0.05602361581777 32.065 7 S 0.12062205133807 0.75000000000000 0.44397638418223 32.065 8 S 0.87937794866193 0.25000000000000 0.55602361581777 32.065 *9 S 0.04528619943970 0.25000000000000 0.87438933439911 32.065 10 S 0.95471380056030 0.75000000000000 0.12561066560089 32.065 11 S 0.45471380056030 0.75000000000000 0.37438933439911 32.065 12 S 0.54528619943970 0.25000000000000 0.62561066560089 32.065 *13 Tb 0.80677731967644 0.25000000000000 0.99757277013786 158.925 14 Tb 0.19322268032356 0.75000000000000 0.00242722986214 158.925 15 Tb 0.69322268032356 0.75000000000000 0.49757277013786 158.925 16 Tb 0.30677731967644 0.25000000000000 0.50242722986214 158.925 *17 Tb 0.48950175315672 0.25000000000000 0.18663217615698 158.925 18 Tb 0.51049824684328 0.75000000000000 0.81336782384302 158.925 19 Tb 0.01049824684328 0.75000000000000 0.68663217615698 158.925 20 Tb 0.98950175315672 0.25000000000000 0.31336782384302 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.579199089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844967169999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275365569999998 Atomic positions (fractional): *1 S 0.72882700682060 0.25000000000000 0.30041442854075 32.065 > 1 2 S 0.27117299317940 0.75000000000000 0.69958557145925 32.065 > 2 3 S 0.77117299317940 0.75000000000000 0.80041442854075 32.065 > 3 4 S 0.22882700682060 0.25000000000000 0.19958557145925 32.065 > 4 *5 S 0.37937794866193 0.25000000000000 0.94397638418223 32.065 > 5 6 S 0.62062205133807 0.75000000000000 0.05602361581777 32.065 > 6 7 S 0.12062205133807 0.75000000000000 0.44397638418223 32.065 > 7 8 S 0.87937794866193 0.25000000000000 0.55602361581777 32.065 > 8 *9 S 0.04528619943970 0.25000000000000 0.87438933439911 32.065 > 9 10 S 0.95471380056030 0.75000000000000 0.12561066560089 32.065 > 10 11 S 0.45471380056030 0.75000000000000 0.37438933439911 32.065 > 11 12 S 0.54528619943970 0.25000000000000 0.62561066560089 32.065 > 12 *13 Tb 0.80677731967644 0.25000000000000 0.99757277013786 158.925 > 13 14 Tb 0.19322268032356 0.75000000000000 0.00242722986214 158.925 > 14 15 Tb 0.69322268032356 0.75000000000000 0.49757277013786 158.925 > 15 16 Tb 0.30677731967644 0.25000000000000 0.50242722986214 158.925 > 16 *17 Tb 0.48950175315672 0.25000000000000 0.18663217615698 158.925 > 17 18 Tb 0.51049824684328 0.75000000000000 0.81336782384302 158.925 > 18 19 Tb 0.01049824684328 0.75000000000000 0.68663217615698 158.925 > 19 20 Tb 0.98950175315672 0.25000000000000 0.31336782384302 158.925 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.579199089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.534901509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.550731139999996 Atomic positions (fractional): *1 S 0.72882700682060 0.08333333333333 0.15020721427038 32.065 > 1 2 S 0.72882700682060 0.41666666666667 0.15020721427038 32.065 > 1 3 S 0.72882700682060 0.75000000000000 0.15020721427038 32.065 > 1 4 S 0.72882700682060 0.08333333333333 0.65020721427038 32.065 > 1 5 S 0.72882700682060 0.41666666666667 0.65020721427038 32.065 > 1 6 S 0.72882700682060 0.75000000000000 0.65020721427038 32.065 > 1 7 S 0.27117299317940 0.25000000000000 0.34979278572962 32.065 > 2 8 S 0.27117299317940 0.58333333333333 0.34979278572962 32.065 > 2 9 S 0.27117299317940 0.91666666666667 0.34979278572962 32.065 > 2 10 S 0.27117299317940 0.25000000000000 0.84979278572962 32.065 > 2 11 S 0.27117299317940 0.58333333333333 0.84979278572962 32.065 > 2 12 S 0.27117299317940 0.91666666666667 0.84979278572962 32.065 > 2 13 S 0.77117299317940 0.25000000000000 0.40020721427038 32.065 > 3 14 S 0.77117299317940 0.58333333333333 0.40020721427038 32.065 > 3 15 S 0.77117299317940 0.91666666666667 0.40020721427038 32.065 > 3 16 S 0.77117299317940 0.25000000000000 0.90020721427038 32.065 > 3 17 S 0.77117299317940 0.58333333333333 0.90020721427038 32.065 > 3 18 S 0.77117299317940 0.91666666666667 0.90020721427038 32.065 > 3 19 S 0.22882700682060 0.08333333333333 0.09979278572962 32.065 > 4 20 S 0.22882700682060 0.41666666666667 0.09979278572962 32.065 > 4 21 S 0.22882700682060 0.75000000000000 0.09979278572962 32.065 > 4 22 S 0.22882700682060 0.08333333333333 0.59979278572962 32.065 > 4 23 S 0.22882700682060 0.41666666666667 0.59979278572962 32.065 > 4 24 S 0.22882700682060 0.75000000000000 0.59979278572962 32.065 > 4 *25 S 0.37937794866193 0.08333333333333 0.47198819209111 32.065 > 5 26 S 0.37937794866193 0.41666666666667 0.47198819209111 32.065 > 5 27 S 0.37937794866193 0.75000000000000 0.47198819209111 32.065 > 5 28 S 0.37937794866193 0.08333333333333 0.97198819209111 32.065 > 5 29 S 0.37937794866193 0.41666666666667 0.97198819209111 32.065 > 5 30 S 0.37937794866193 0.75000000000000 0.97198819209111 32.065 > 5 31 S 0.62062205133807 0.25000000000000 0.02801180790889 32.065 > 6 32 S 0.62062205133807 0.58333333333333 0.02801180790889 32.065 > 6 33 S 0.62062205133807 0.91666666666667 0.02801180790889 32.065 > 6 34 S 0.62062205133807 0.25000000000000 0.52801180790889 32.065 > 6 35 S 0.62062205133807 0.58333333333333 0.52801180790889 32.065 > 6 36 S 0.62062205133807 0.91666666666667 0.52801180790889 32.065 > 6 37 S 0.12062205133807 0.25000000000000 0.22198819209111 32.065 > 7 38 S 0.12062205133807 0.58333333333333 0.22198819209111 32.065 > 7 39 S 0.12062205133807 0.91666666666667 0.22198819209111 32.065 > 7 40 S 0.12062205133807 0.25000000000000 0.72198819209111 32.065 > 7 41 S 0.12062205133807 0.58333333333333 0.72198819209111 32.065 > 7 42 S 0.12062205133807 0.91666666666667 0.72198819209111 32.065 > 7 43 S 0.87937794866193 0.08333333333333 0.27801180790889 32.065 > 8 44 S 0.87937794866193 0.41666666666667 0.27801180790889 32.065 > 8 45 S 0.87937794866193 0.75000000000000 0.27801180790889 32.065 > 8 46 S 0.87937794866193 0.08333333333333 0.77801180790889 32.065 > 8 47 S 0.87937794866193 0.41666666666667 0.77801180790889 32.065 > 8 48 S 0.87937794866193 0.75000000000000 0.77801180790889 32.065 > 8 *49 S 0.04528619943970 0.08333333333333 0.43719466719956 32.065 > 9 50 S 0.04528619943970 0.41666666666667 0.43719466719956 32.065 > 9 51 S 0.04528619943970 0.75000000000000 0.43719466719956 32.065 > 9 52 S 0.04528619943970 0.08333333333333 0.93719466719956 32.065 > 9 53 S 0.04528619943970 0.41666666666667 0.93719466719956 32.065 > 9 54 S 0.04528619943970 0.75000000000000 0.93719466719956 32.065 > 9 55 S 0.95471380056030 0.25000000000000 0.06280533280044 32.065 > 10 56 S 0.95471380056030 0.58333333333333 0.06280533280044 32.065 > 10 57 S 0.95471380056030 0.91666666666667 0.06280533280044 32.065 > 10 58 S 0.95471380056030 0.25000000000000 0.56280533280044 32.065 > 10 59 S 0.95471380056030 0.58333333333333 0.56280533280044 32.065 > 10 60 S 0.95471380056030 0.91666666666667 0.56280533280044 32.065 > 10 61 S 0.45471380056030 0.25000000000000 0.18719466719956 32.065 > 11 62 S 0.45471380056030 0.58333333333333 0.18719466719956 32.065 > 11 63 S 0.45471380056030 0.91666666666667 0.18719466719956 32.065 > 11 64 S 0.45471380056030 0.25000000000000 0.68719466719956 32.065 > 11 65 S 0.45471380056030 0.58333333333333 0.68719466719956 32.065 > 11 66 S 0.45471380056030 0.91666666666667 0.68719466719956 32.065 > 11 67 S 0.54528619943970 0.08333333333333 0.31280533280044 32.065 > 12 68 S 0.54528619943970 0.41666666666667 0.31280533280044 32.065 > 12 69 S 0.54528619943970 0.75000000000000 0.31280533280044 32.065 > 12 70 S 0.54528619943970 0.08333333333333 0.81280533280044 32.065 > 12 71 S 0.54528619943970 0.41666666666667 0.81280533280044 32.065 > 12 72 S 0.54528619943970 0.75000000000000 0.81280533280044 32.065 > 12 *73 Tb 0.80677731967644 0.08333333333333 0.49878638506893 158.925 > 13 74 Tb 0.80677731967644 0.41666666666667 0.49878638506893 158.925 > 13 75 Tb 0.80677731967644 0.75000000000000 0.49878638506893 158.925 > 13 76 Tb 0.80677731967644 0.08333333333333 0.99878638506893 158.925 > 13 77 Tb 0.80677731967644 0.41666666666667 0.99878638506893 158.925 > 13 78 Tb 0.80677731967644 0.75000000000000 0.99878638506893 158.925 > 13 79 Tb 0.19322268032356 0.25000000000000 0.00121361493107 158.925 > 14 80 Tb 0.19322268032356 0.58333333333333 0.00121361493107 158.925 > 14 81 Tb 0.19322268032356 0.91666666666667 0.00121361493107 158.925 > 14 82 Tb 0.19322268032356 0.25000000000000 0.50121361493107 158.925 > 14 83 Tb 0.19322268032356 0.58333333333333 0.50121361493107 158.925 > 14 84 Tb 0.19322268032356 0.91666666666667 0.50121361493107 158.925 > 14 85 Tb 0.69322268032356 0.25000000000000 0.24878638506893 158.925 > 15 86 Tb 0.69322268032356 0.58333333333333 0.24878638506893 158.925 > 15 87 Tb 0.69322268032356 0.91666666666667 0.24878638506893 158.925 > 15 88 Tb 0.69322268032356 0.25000000000000 0.74878638506893 158.925 > 15 89 Tb 0.69322268032356 0.58333333333333 0.74878638506893 158.925 > 15 90 Tb 0.69322268032356 0.91666666666667 0.74878638506893 158.925 > 15 91 Tb 0.30677731967644 0.08333333333333 0.25121361493107 158.925 > 16 92 Tb 0.30677731967644 0.41666666666667 0.25121361493107 158.925 > 16 93 Tb 0.30677731967644 0.75000000000000 0.25121361493107 158.925 > 16 94 Tb 0.30677731967644 0.08333333333333 0.75121361493107 158.925 > 16 95 Tb 0.30677731967644 0.41666666666667 0.75121361493107 158.925 > 16 96 Tb 0.30677731967644 0.75000000000000 0.75121361493107 158.925 > 16 *97 Tb 0.48950175315672 0.08333333333333 0.09331608807849 158.925 > 17 98 Tb 0.48950175315672 0.41666666666667 0.09331608807849 158.925 > 17 99 Tb 0.48950175315672 0.75000000000000 0.09331608807849 158.925 > 17 100 Tb 0.48950175315672 0.08333333333333 0.59331608807849 158.925 > 17 101 Tb 0.48950175315672 0.41666666666667 0.59331608807849 158.925 > 17 102 Tb 0.48950175315672 0.75000000000000 0.59331608807849 158.925 > 17 103 Tb 0.51049824684328 0.25000000000000 0.40668391192151 158.925 > 18 104 Tb 0.51049824684328 0.58333333333333 0.40668391192151 158.925 > 18 105 Tb 0.51049824684328 0.91666666666667 0.40668391192151 158.925 > 18 106 Tb 0.51049824684328 0.25000000000000 0.90668391192151 158.925 > 18 107 Tb 0.51049824684328 0.58333333333333 0.90668391192151 158.925 > 18 108 Tb 0.51049824684328 0.91666666666667 0.90668391192151 158.925 > 18 109 Tb 0.01049824684328 0.25000000000000 0.34331608807849 158.925 > 19 110 Tb 0.01049824684328 0.58333333333333 0.34331608807849 158.925 > 19 111 Tb 0.01049824684328 0.91666666666667 0.34331608807849 158.925 > 19 112 Tb 0.01049824684328 0.25000000000000 0.84331608807849 158.925 > 19 113 Tb 0.01049824684328 0.58333333333333 0.84331608807849 158.925 > 19 114 Tb 0.01049824684328 0.91666666666667 0.84331608807849 158.925 > 19 115 Tb 0.98950175315672 0.08333333333333 0.15668391192151 158.925 > 20 116 Tb 0.98950175315672 0.41666666666667 0.15668391192151 158.925 > 20 117 Tb 0.98950175315672 0.75000000000000 0.15668391192151 158.925 > 20 118 Tb 0.98950175315672 0.08333333333333 0.65668391192151 158.925 > 20 119 Tb 0.98950175315672 0.41666666666667 0.65668391192151 158.925 > 20 120 Tb 0.98950175315672 0.75000000000000 0.65668391192151 158.925 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0757153 0.0000000 0.0000000 0.0000000 8.9947423 0.0000000 0.0000000 0.0000000 9.2683059 -------------------------- Born effective charges -------------------------- 1 S -3.1529233 0.0000000 -0.0593671 0.0000000 -2.1682891 0.0000000 -0.0445164 0.0000000 -2.8435851 2 S -3.1529233 0.0000000 -0.0593671 0.0000000 -2.1682891 0.0000000 -0.0445164 0.0000000 -2.8435851 3 S -3.1529233 0.0000000 0.0593671 0.0000000 -2.1682891 0.0000000 0.0445164 0.0000000 -2.8435851 4 S -3.1529233 0.0000000 0.0593671 0.0000000 -2.1682891 0.0000000 0.0445164 0.0000000 -2.8435851 5 S -2.4285182 0.0000000 0.4110482 0.0000000 -2.7933091 0.0000000 0.4005756 0.0000000 -2.1654529 6 S -2.4285182 0.0000000 0.4110482 0.0000000 -2.7933091 0.0000000 0.4005756 0.0000000 -2.1654529 7 S -2.4285182 0.0000000 -0.4110482 0.0000000 -2.7933091 0.0000000 -0.4005756 0.0000000 -2.1654529 8 S -2.4285182 0.0000000 -0.4110482 0.0000000 -2.7933091 0.0000000 -0.4005756 0.0000000 -2.1654529 9 S -2.2557286 0.0000000 -0.6407491 0.0000000 -3.0641860 0.0000000 -0.2584609 0.0000000 -2.5908371 10 S -2.2557286 0.0000000 -0.6407491 0.0000000 -3.0641860 0.0000000 -0.2584609 0.0000000 -2.5908371 11 S -2.2557286 0.0000000 0.6407491 0.0000000 -3.0641860 0.0000000 0.2584609 0.0000000 -2.5908371 12 S -2.2557286 0.0000000 0.6407491 0.0000000 -3.0641860 0.0000000 0.2584609 0.0000000 -2.5908371 13 Tb 3.5204042 0.0000000 0.0517562 0.0000000 4.2791423 0.0000000 -0.2179084 0.0000000 3.6425016 14 Tb 3.5204042 0.0000000 0.0517562 0.0000000 4.2791423 0.0000000 -0.2179084 0.0000000 3.6425016 15 Tb 3.5204042 0.0000000 -0.0517562 0.0000000 4.2791423 0.0000000 0.2179084 0.0000000 3.6425016 16 Tb 3.5204042 0.0000000 -0.0517562 0.0000000 4.2791423 0.0000000 0.2179084 0.0000000 3.6425016 17 Tb 4.3167659 0.0000000 -0.3146765 0.0000000 3.7466419 0.0000000 0.4219028 0.0000000 3.9573734 18 Tb 4.3167659 0.0000000 -0.3146765 0.0000000 3.7466419 0.0000000 0.4219028 0.0000000 3.9573734 19 Tb 4.3167659 0.0000000 0.3146765 0.0000000 3.7466419 0.0000000 -0.4219028 0.0000000 3.9573734 20 Tb 4.3167659 0.0000000 0.3146765 0.0000000 3.7466419 0.0000000 -0.4219028 0.0000000 3.9573734 ---------------------------------------------------------------------------- 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: 2.126 Solver_block: 200 / 320 - Time: 2.134 Solver_block: 300 / 320 - Time: 2.134 Solver_block: 320 / 320 - Time: 0.524 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.950 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:18:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:18:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.579199089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844967169999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275365569999998 Atomic positions (fractional): 1 S 0.72882700682060 0.25000000000000 0.30041442854075 32.065 2 S 0.27117299317940 0.75000000000000 0.69958557145925 32.065 3 S 0.77117299317940 0.75000000000000 0.80041442854075 32.065 4 S 0.22882700682060 0.25000000000000 0.19958557145925 32.065 5 S 0.37937794866193 0.25000000000000 0.94397638418223 32.065 6 S 0.62062205133807 0.75000000000000 0.05602361581777 32.065 7 S 0.12062205133807 0.75000000000000 0.44397638418223 32.065 8 S 0.87937794866193 0.25000000000000 0.55602361581777 32.065 9 S 0.04528619943970 0.25000000000000 0.87438933439911 32.065 10 S 0.95471380056030 0.75000000000000 0.12561066560089 32.065 11 S 0.45471380056030 0.75000000000000 0.37438933439911 32.065 12 S 0.54528619943970 0.25000000000000 0.62561066560089 32.065 13 Tb 0.80677731967644 0.25000000000000 0.99757277013786 158.925 14 Tb 0.19322268032356 0.75000000000000 0.00242722986214 158.925 15 Tb 0.69322268032356 0.75000000000000 0.49757277013786 158.925 16 Tb 0.30677731967644 0.25000000000000 0.50242722986214 158.925 17 Tb 0.48950175315672 0.25000000000000 0.18663217615698 158.925 18 Tb 0.51049824684328 0.75000000000000 0.81336782384302 158.925 19 Tb 0.01049824684328 0.75000000000000 0.68663217615698 158.925 20 Tb 0.98950175315672 0.25000000000000 0.31336782384302 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.579199089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.534901509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.550731139999996 Atomic positions (fractional): 1 S 0.72882700682060 0.08333333333333 0.15020721427038 32.065 > 1 2 S 0.72882700682060 0.41666666666667 0.15020721427038 32.065 > 1 3 S 0.72882700682060 0.75000000000000 0.15020721427038 32.065 > 1 4 S 0.72882700682060 0.08333333333333 0.65020721427038 32.065 > 1 5 S 0.72882700682060 0.41666666666667 0.65020721427038 32.065 > 1 6 S 0.72882700682060 0.75000000000000 0.65020721427038 32.065 > 1 7 S 0.27117299317940 0.25000000000000 0.34979278572962 32.065 > 7 8 S 0.27117299317940 0.58333333333333 0.34979278572962 32.065 > 7 9 S 0.27117299317940 0.91666666666667 0.34979278572962 32.065 > 7 10 S 0.27117299317940 0.25000000000000 0.84979278572962 32.065 > 7 11 S 0.27117299317940 0.58333333333333 0.84979278572962 32.065 > 7 12 S 0.27117299317940 0.91666666666667 0.84979278572962 32.065 > 7 13 S 0.77117299317940 0.25000000000000 0.40020721427038 32.065 > 13 14 S 0.77117299317940 0.58333333333333 0.40020721427038 32.065 > 13 15 S 0.77117299317940 0.91666666666667 0.40020721427038 32.065 > 13 16 S 0.77117299317940 0.25000000000000 0.90020721427038 32.065 > 13 17 S 0.77117299317940 0.58333333333333 0.90020721427038 32.065 > 13 18 S 0.77117299317940 0.91666666666667 0.90020721427038 32.065 > 13 19 S 0.22882700682060 0.08333333333333 0.09979278572962 32.065 > 19 20 S 0.22882700682060 0.41666666666667 0.09979278572962 32.065 > 19 21 S 0.22882700682060 0.75000000000000 0.09979278572962 32.065 > 19 22 S 0.22882700682060 0.08333333333333 0.59979278572962 32.065 > 19 23 S 0.22882700682060 0.41666666666667 0.59979278572962 32.065 > 19 24 S 0.22882700682060 0.75000000000000 0.59979278572962 32.065 > 19 25 S 0.37937794866193 0.08333333333333 0.47198819209111 32.065 > 25 26 S 0.37937794866193 0.41666666666667 0.47198819209111 32.065 > 25 27 S 0.37937794866193 0.75000000000000 0.47198819209111 32.065 > 25 28 S 0.37937794866193 0.08333333333333 0.97198819209111 32.065 > 25 29 S 0.37937794866193 0.41666666666667 0.97198819209111 32.065 > 25 30 S 0.37937794866193 0.75000000000000 0.97198819209111 32.065 > 25 31 S 0.62062205133807 0.25000000000000 0.02801180790889 32.065 > 31 32 S 0.62062205133807 0.58333333333333 0.02801180790889 32.065 > 31 33 S 0.62062205133807 0.91666666666667 0.02801180790889 32.065 > 31 34 S 0.62062205133807 0.25000000000000 0.52801180790889 32.065 > 31 35 S 0.62062205133807 0.58333333333333 0.52801180790889 32.065 > 31 36 S 0.62062205133807 0.91666666666667 0.52801180790889 32.065 > 31 37 S 0.12062205133807 0.25000000000000 0.22198819209111 32.065 > 37 38 S 0.12062205133807 0.58333333333333 0.22198819209111 32.065 > 37 39 S 0.12062205133807 0.91666666666667 0.22198819209111 32.065 > 37 40 S 0.12062205133807 0.25000000000000 0.72198819209111 32.065 > 37 41 S 0.12062205133807 0.58333333333333 0.72198819209111 32.065 > 37 42 S 0.12062205133807 0.91666666666667 0.72198819209111 32.065 > 37 43 S 0.87937794866193 0.08333333333333 0.27801180790889 32.065 > 43 44 S 0.87937794866193 0.41666666666667 0.27801180790889 32.065 > 43 45 S 0.87937794866193 0.75000000000000 0.27801180790889 32.065 > 43 46 S 0.87937794866193 0.08333333333333 0.77801180790889 32.065 > 43 47 S 0.87937794866193 0.41666666666667 0.77801180790889 32.065 > 43 48 S 0.87937794866193 0.75000000000000 0.77801180790889 32.065 > 43 49 S 0.04528619943970 0.08333333333333 0.43719466719956 32.065 > 49 50 S 0.04528619943970 0.41666666666667 0.43719466719956 32.065 > 49 51 S 0.04528619943970 0.75000000000000 0.43719466719956 32.065 > 49 52 S 0.04528619943970 0.08333333333333 0.93719466719956 32.065 > 49 53 S 0.04528619943970 0.41666666666667 0.93719466719956 32.065 > 49 54 S 0.04528619943970 0.75000000000000 0.93719466719956 32.065 > 49 55 S 0.95471380056030 0.25000000000000 0.06280533280044 32.065 > 55 56 S 0.95471380056030 0.58333333333333 0.06280533280044 32.065 > 55 57 S 0.95471380056030 0.91666666666667 0.06280533280044 32.065 > 55 58 S 0.95471380056030 0.25000000000000 0.56280533280044 32.065 > 55 59 S 0.95471380056030 0.58333333333333 0.56280533280044 32.065 > 55 60 S 0.95471380056030 0.91666666666667 0.56280533280044 32.065 > 55 61 S 0.45471380056030 0.25000000000000 0.18719466719956 32.065 > 61 62 S 0.45471380056030 0.58333333333333 0.18719466719956 32.065 > 61 63 S 0.45471380056030 0.91666666666667 0.18719466719956 32.065 > 61 64 S 0.45471380056030 0.25000000000000 0.68719466719956 32.065 > 61 65 S 0.45471380056030 0.58333333333333 0.68719466719956 32.065 > 61 66 S 0.45471380056030 0.91666666666667 0.68719466719956 32.065 > 61 67 S 0.54528619943970 0.08333333333333 0.31280533280044 32.065 > 67 68 S 0.54528619943970 0.41666666666667 0.31280533280044 32.065 > 67 69 S 0.54528619943970 0.75000000000000 0.31280533280044 32.065 > 67 70 S 0.54528619943970 0.08333333333333 0.81280533280044 32.065 > 67 71 S 0.54528619943970 0.41666666666667 0.81280533280044 32.065 > 67 72 S 0.54528619943970 0.75000000000000 0.81280533280044 32.065 > 67 73 Tb 0.80677731967644 0.08333333333333 0.49878638506893 158.925 > 73 74 Tb 0.80677731967644 0.41666666666667 0.49878638506893 158.925 > 73 75 Tb 0.80677731967644 0.75000000000000 0.49878638506893 158.925 > 73 76 Tb 0.80677731967644 0.08333333333333 0.99878638506893 158.925 > 73 77 Tb 0.80677731967644 0.41666666666667 0.99878638506893 158.925 > 73 78 Tb 0.80677731967644 0.75000000000000 0.99878638506893 158.925 > 73 79 Tb 0.19322268032356 0.25000000000000 0.00121361493107 158.925 > 79 80 Tb 0.19322268032356 0.58333333333333 0.00121361493107 158.925 > 79 81 Tb 0.19322268032356 0.91666666666667 0.00121361493107 158.925 > 79 82 Tb 0.19322268032356 0.25000000000000 0.50121361493107 158.925 > 79 83 Tb 0.19322268032356 0.58333333333333 0.50121361493107 158.925 > 79 84 Tb 0.19322268032356 0.91666666666667 0.50121361493107 158.925 > 79 85 Tb 0.69322268032356 0.25000000000000 0.24878638506893 158.925 > 85 86 Tb 0.69322268032356 0.58333333333333 0.24878638506893 158.925 > 85 87 Tb 0.69322268032356 0.91666666666667 0.24878638506893 158.925 > 85 88 Tb 0.69322268032356 0.25000000000000 0.74878638506893 158.925 > 85 89 Tb 0.69322268032356 0.58333333333333 0.74878638506893 158.925 > 85 90 Tb 0.69322268032356 0.91666666666667 0.74878638506893 158.925 > 85 91 Tb 0.30677731967644 0.08333333333333 0.25121361493107 158.925 > 91 92 Tb 0.30677731967644 0.41666666666667 0.25121361493107 158.925 > 91 93 Tb 0.30677731967644 0.75000000000000 0.25121361493107 158.925 > 91 94 Tb 0.30677731967644 0.08333333333333 0.75121361493107 158.925 > 91 95 Tb 0.30677731967644 0.41666666666667 0.75121361493107 158.925 > 91 96 Tb 0.30677731967644 0.75000000000000 0.75121361493107 158.925 > 91 97 Tb 0.48950175315672 0.08333333333333 0.09331608807849 158.925 > 97 98 Tb 0.48950175315672 0.41666666666667 0.09331608807849 158.925 > 97 99 Tb 0.48950175315672 0.75000000000000 0.09331608807849 158.925 > 97 100 Tb 0.48950175315672 0.08333333333333 0.59331608807849 158.925 > 97 101 Tb 0.48950175315672 0.41666666666667 0.59331608807849 158.925 > 97 102 Tb 0.48950175315672 0.75000000000000 0.59331608807849 158.925 > 97 103 Tb 0.51049824684328 0.25000000000000 0.40668391192151 158.925 > 103 104 Tb 0.51049824684328 0.58333333333333 0.40668391192151 158.925 > 103 105 Tb 0.51049824684328 0.91666666666667 0.40668391192151 158.925 > 103 106 Tb 0.51049824684328 0.25000000000000 0.90668391192151 158.925 > 103 107 Tb 0.51049824684328 0.58333333333333 0.90668391192151 158.925 > 103 108 Tb 0.51049824684328 0.91666666666667 0.90668391192151 158.925 > 103 109 Tb 0.01049824684328 0.25000000000000 0.34331608807849 158.925 > 109 110 Tb 0.01049824684328 0.58333333333333 0.34331608807849 158.925 > 109 111 Tb 0.01049824684328 0.91666666666667 0.34331608807849 158.925 > 109 112 Tb 0.01049824684328 0.25000000000000 0.84331608807849 158.925 > 109 113 Tb 0.01049824684328 0.58333333333333 0.84331608807849 158.925 > 109 114 Tb 0.01049824684328 0.91666666666667 0.84331608807849 158.925 > 109 115 Tb 0.98950175315672 0.08333333333333 0.15668391192151 158.925 > 115 116 Tb 0.98950175315672 0.41666666666667 0.15668391192151 158.925 > 115 117 Tb 0.98950175315672 0.75000000000000 0.15668391192151 158.925 > 115 118 Tb 0.98950175315672 0.08333333333333 0.65668391192151 158.925 > 115 119 Tb 0.98950175315672 0.41666666666667 0.65668391192151 158.925 > 115 120 Tb 0.98950175315672 0.75000000000000 0.65668391192151 158.925 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0757153 0.0000000 0.0000000 0.0000000 8.9947423 0.0000000 0.0000000 0.0000000 9.2683059 -------------------------- Born effective charges -------------------------- 1 S -3.1529233 0.0000000 -0.0593671 0.0000000 -2.1682891 0.0000000 -0.0445164 0.0000000 -2.8435851 2 S -3.1529233 0.0000000 -0.0593671 0.0000000 -2.1682891 0.0000000 -0.0445164 0.0000000 -2.8435851 3 S -3.1529233 0.0000000 0.0593671 0.0000000 -2.1682891 0.0000000 0.0445164 0.0000000 -2.8435851 4 S -3.1529233 0.0000000 0.0593671 0.0000000 -2.1682891 0.0000000 0.0445164 0.0000000 -2.8435851 5 S -2.4285182 0.0000000 0.4110482 0.0000000 -2.7933091 0.0000000 0.4005756 0.0000000 -2.1654529 6 S -2.4285182 0.0000000 0.4110482 0.0000000 -2.7933091 0.0000000 0.4005756 0.0000000 -2.1654529 7 S -2.4285182 0.0000000 -0.4110482 0.0000000 -2.7933091 0.0000000 -0.4005756 0.0000000 -2.1654529 8 S -2.4285182 0.0000000 -0.4110482 0.0000000 -2.7933091 0.0000000 -0.4005756 0.0000000 -2.1654529 9 S -2.2557286 0.0000000 -0.6407491 0.0000000 -3.0641860 0.0000000 -0.2584609 0.0000000 -2.5908371 10 S -2.2557286 0.0000000 -0.6407491 0.0000000 -3.0641860 0.0000000 -0.2584609 0.0000000 -2.5908371 11 S -2.2557286 0.0000000 0.6407491 0.0000000 -3.0641860 0.0000000 0.2584609 0.0000000 -2.5908371 12 S -2.2557286 0.0000000 0.6407491 0.0000000 -3.0641860 0.0000000 0.2584609 0.0000000 -2.5908371 13 Tb 3.5204042 0.0000000 0.0517562 0.0000000 4.2791423 0.0000000 -0.2179084 0.0000000 3.6425016 14 Tb 3.5204042 0.0000000 0.0517562 0.0000000 4.2791423 0.0000000 -0.2179084 0.0000000 3.6425016 15 Tb 3.5204042 0.0000000 -0.0517562 0.0000000 4.2791423 0.0000000 0.2179084 0.0000000 3.6425016 16 Tb 3.5204042 0.0000000 -0.0517562 0.0000000 4.2791423 0.0000000 0.2179084 0.0000000 3.6425016 17 Tb 4.3167659 0.0000000 -0.3146765 0.0000000 3.7466419 0.0000000 0.4219028 0.0000000 3.9573734 18 Tb 4.3167659 0.0000000 -0.3146765 0.0000000 3.7466419 0.0000000 0.4219028 0.0000000 3.9573734 19 Tb 4.3167659 0.0000000 0.3146765 0.0000000 3.7466419 0.0000000 -0.4219028 0.0000000 3.9573734 20 Tb 4.3167659 0.0000000 0.3146765 0.0000000 3.7466419 0.0000000 -0.4219028 0.0000000 3.9573734 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:18:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:18:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.579199089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.844967169999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275365569999998 Atomic positions (fractional): 1 S 0.72882700682060 0.25000000000000 0.30041442854075 32.065 2 S 0.27117299317940 0.75000000000000 0.69958557145925 32.065 3 S 0.77117299317940 0.75000000000000 0.80041442854075 32.065 4 S 0.22882700682060 0.25000000000000 0.19958557145925 32.065 5 S 0.37937794866193 0.25000000000000 0.94397638418223 32.065 6 S 0.62062205133807 0.75000000000000 0.05602361581777 32.065 7 S 0.12062205133807 0.75000000000000 0.44397638418223 32.065 8 S 0.87937794866193 0.25000000000000 0.55602361581777 32.065 9 S 0.04528619943970 0.25000000000000 0.87438933439911 32.065 10 S 0.95471380056030 0.75000000000000 0.12561066560089 32.065 11 S 0.45471380056030 0.75000000000000 0.37438933439911 32.065 12 S 0.54528619943970 0.25000000000000 0.62561066560089 32.065 13 Tb 0.80677731967644 0.25000000000000 0.99757277013786 158.925 14 Tb 0.19322268032356 0.75000000000000 0.00242722986214 158.925 15 Tb 0.69322268032356 0.75000000000000 0.49757277013786 158.925 16 Tb 0.30677731967644 0.25000000000000 0.50242722986214 158.925 17 Tb 0.48950175315672 0.25000000000000 0.18663217615698 158.925 18 Tb 0.51049824684328 0.75000000000000 0.81336782384302 158.925 19 Tb 0.01049824684328 0.75000000000000 0.68663217615698 158.925 20 Tb 0.98950175315672 0.25000000000000 0.31336782384302 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.579199089999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.534901509999997 0.000000000000000 c 0.000000000000000 0.000000000000000 20.550731139999996 Atomic positions (fractional): 1 S 0.72882700682060 0.08333333333333 0.15020721427038 32.065 > 1 2 S 0.72882700682060 0.41666666666667 0.15020721427038 32.065 > 1 3 S 0.72882700682060 0.75000000000000 0.15020721427038 32.065 > 1 4 S 0.72882700682060 0.08333333333333 0.65020721427038 32.065 > 1 5 S 0.72882700682060 0.41666666666667 0.65020721427038 32.065 > 1 6 S 0.72882700682060 0.75000000000000 0.65020721427038 32.065 > 1 7 S 0.27117299317940 0.25000000000000 0.34979278572962 32.065 > 7 8 S 0.27117299317940 0.58333333333333 0.34979278572962 32.065 > 7 9 S 0.27117299317940 0.91666666666667 0.34979278572962 32.065 > 7 10 S 0.27117299317940 0.25000000000000 0.84979278572962 32.065 > 7 11 S 0.27117299317940 0.58333333333333 0.84979278572962 32.065 > 7 12 S 0.27117299317940 0.91666666666667 0.84979278572962 32.065 > 7 13 S 0.77117299317940 0.25000000000000 0.40020721427038 32.065 > 13 14 S 0.77117299317940 0.58333333333333 0.40020721427038 32.065 > 13 15 S 0.77117299317940 0.91666666666667 0.40020721427038 32.065 > 13 16 S 0.77117299317940 0.25000000000000 0.90020721427038 32.065 > 13 17 S 0.77117299317940 0.58333333333333 0.90020721427038 32.065 > 13 18 S 0.77117299317940 0.91666666666667 0.90020721427038 32.065 > 13 19 S 0.22882700682060 0.08333333333333 0.09979278572962 32.065 > 19 20 S 0.22882700682060 0.41666666666667 0.09979278572962 32.065 > 19 21 S 0.22882700682060 0.75000000000000 0.09979278572962 32.065 > 19 22 S 0.22882700682060 0.08333333333333 0.59979278572962 32.065 > 19 23 S 0.22882700682060 0.41666666666667 0.59979278572962 32.065 > 19 24 S 0.22882700682060 0.75000000000000 0.59979278572962 32.065 > 19 25 S 0.37937794866193 0.08333333333333 0.47198819209111 32.065 > 25 26 S 0.37937794866193 0.41666666666667 0.47198819209111 32.065 > 25 27 S 0.37937794866193 0.75000000000000 0.47198819209111 32.065 > 25 28 S 0.37937794866193 0.08333333333333 0.97198819209111 32.065 > 25 29 S 0.37937794866193 0.41666666666667 0.97198819209111 32.065 > 25 30 S 0.37937794866193 0.75000000000000 0.97198819209111 32.065 > 25 31 S 0.62062205133807 0.25000000000000 0.02801180790889 32.065 > 31 32 S 0.62062205133807 0.58333333333333 0.02801180790889 32.065 > 31 33 S 0.62062205133807 0.91666666666667 0.02801180790889 32.065 > 31 34 S 0.62062205133807 0.25000000000000 0.52801180790889 32.065 > 31 35 S 0.62062205133807 0.58333333333333 0.52801180790889 32.065 > 31 36 S 0.62062205133807 0.91666666666667 0.52801180790889 32.065 > 31 37 S 0.12062205133807 0.25000000000000 0.22198819209111 32.065 > 37 38 S 0.12062205133807 0.58333333333333 0.22198819209111 32.065 > 37 39 S 0.12062205133807 0.91666666666667 0.22198819209111 32.065 > 37 40 S 0.12062205133807 0.25000000000000 0.72198819209111 32.065 > 37 41 S 0.12062205133807 0.58333333333333 0.72198819209111 32.065 > 37 42 S 0.12062205133807 0.91666666666667 0.72198819209111 32.065 > 37 43 S 0.87937794866193 0.08333333333333 0.27801180790889 32.065 > 43 44 S 0.87937794866193 0.41666666666667 0.27801180790889 32.065 > 43 45 S 0.87937794866193 0.75000000000000 0.27801180790889 32.065 > 43 46 S 0.87937794866193 0.08333333333333 0.77801180790889 32.065 > 43 47 S 0.87937794866193 0.41666666666667 0.77801180790889 32.065 > 43 48 S 0.87937794866193 0.75000000000000 0.77801180790889 32.065 > 43 49 S 0.04528619943970 0.08333333333333 0.43719466719956 32.065 > 49 50 S 0.04528619943970 0.41666666666667 0.43719466719956 32.065 > 49 51 S 0.04528619943970 0.75000000000000 0.43719466719956 32.065 > 49 52 S 0.04528619943970 0.08333333333333 0.93719466719956 32.065 > 49 53 S 0.04528619943970 0.41666666666667 0.93719466719956 32.065 > 49 54 S 0.04528619943970 0.75000000000000 0.93719466719956 32.065 > 49 55 S 0.95471380056030 0.25000000000000 0.06280533280044 32.065 > 55 56 S 0.95471380056030 0.58333333333333 0.06280533280044 32.065 > 55 57 S 0.95471380056030 0.91666666666667 0.06280533280044 32.065 > 55 58 S 0.95471380056030 0.25000000000000 0.56280533280044 32.065 > 55 59 S 0.95471380056030 0.58333333333333 0.56280533280044 32.065 > 55 60 S 0.95471380056030 0.91666666666667 0.56280533280044 32.065 > 55 61 S 0.45471380056030 0.25000000000000 0.18719466719956 32.065 > 61 62 S 0.45471380056030 0.58333333333333 0.18719466719956 32.065 > 61 63 S 0.45471380056030 0.91666666666667 0.18719466719956 32.065 > 61 64 S 0.45471380056030 0.25000000000000 0.68719466719956 32.065 > 61 65 S 0.45471380056030 0.58333333333333 0.68719466719956 32.065 > 61 66 S 0.45471380056030 0.91666666666667 0.68719466719956 32.065 > 61 67 S 0.54528619943970 0.08333333333333 0.31280533280044 32.065 > 67 68 S 0.54528619943970 0.41666666666667 0.31280533280044 32.065 > 67 69 S 0.54528619943970 0.75000000000000 0.31280533280044 32.065 > 67 70 S 0.54528619943970 0.08333333333333 0.81280533280044 32.065 > 67 71 S 0.54528619943970 0.41666666666667 0.81280533280044 32.065 > 67 72 S 0.54528619943970 0.75000000000000 0.81280533280044 32.065 > 67 73 Tb 0.80677731967644 0.08333333333333 0.49878638506893 158.925 > 73 74 Tb 0.80677731967644 0.41666666666667 0.49878638506893 158.925 > 73 75 Tb 0.80677731967644 0.75000000000000 0.49878638506893 158.925 > 73 76 Tb 0.80677731967644 0.08333333333333 0.99878638506893 158.925 > 73 77 Tb 0.80677731967644 0.41666666666667 0.99878638506893 158.925 > 73 78 Tb 0.80677731967644 0.75000000000000 0.99878638506893 158.925 > 73 79 Tb 0.19322268032356 0.25000000000000 0.00121361493107 158.925 > 79 80 Tb 0.19322268032356 0.58333333333333 0.00121361493107 158.925 > 79 81 Tb 0.19322268032356 0.91666666666667 0.00121361493107 158.925 > 79 82 Tb 0.19322268032356 0.25000000000000 0.50121361493107 158.925 > 79 83 Tb 0.19322268032356 0.58333333333333 0.50121361493107 158.925 > 79 84 Tb 0.19322268032356 0.91666666666667 0.50121361493107 158.925 > 79 85 Tb 0.69322268032356 0.25000000000000 0.24878638506893 158.925 > 85 86 Tb 0.69322268032356 0.58333333333333 0.24878638506893 158.925 > 85 87 Tb 0.69322268032356 0.91666666666667 0.24878638506893 158.925 > 85 88 Tb 0.69322268032356 0.25000000000000 0.74878638506893 158.925 > 85 89 Tb 0.69322268032356 0.58333333333333 0.74878638506893 158.925 > 85 90 Tb 0.69322268032356 0.91666666666667 0.74878638506893 158.925 > 85 91 Tb 0.30677731967644 0.08333333333333 0.25121361493107 158.925 > 91 92 Tb 0.30677731967644 0.41666666666667 0.25121361493107 158.925 > 91 93 Tb 0.30677731967644 0.75000000000000 0.25121361493107 158.925 > 91 94 Tb 0.30677731967644 0.08333333333333 0.75121361493107 158.925 > 91 95 Tb 0.30677731967644 0.41666666666667 0.75121361493107 158.925 > 91 96 Tb 0.30677731967644 0.75000000000000 0.75121361493107 158.925 > 91 97 Tb 0.48950175315672 0.08333333333333 0.09331608807849 158.925 > 97 98 Tb 0.48950175315672 0.41666666666667 0.09331608807849 158.925 > 97 99 Tb 0.48950175315672 0.75000000000000 0.09331608807849 158.925 > 97 100 Tb 0.48950175315672 0.08333333333333 0.59331608807849 158.925 > 97 101 Tb 0.48950175315672 0.41666666666667 0.59331608807849 158.925 > 97 102 Tb 0.48950175315672 0.75000000000000 0.59331608807849 158.925 > 97 103 Tb 0.51049824684328 0.25000000000000 0.40668391192151 158.925 > 103 104 Tb 0.51049824684328 0.58333333333333 0.40668391192151 158.925 > 103 105 Tb 0.51049824684328 0.91666666666667 0.40668391192151 158.925 > 103 106 Tb 0.51049824684328 0.25000000000000 0.90668391192151 158.925 > 103 107 Tb 0.51049824684328 0.58333333333333 0.90668391192151 158.925 > 103 108 Tb 0.51049824684328 0.91666666666667 0.90668391192151 158.925 > 103 109 Tb 0.01049824684328 0.25000000000000 0.34331608807849 158.925 > 109 110 Tb 0.01049824684328 0.58333333333333 0.34331608807849 158.925 > 109 111 Tb 0.01049824684328 0.91666666666667 0.34331608807849 158.925 > 109 112 Tb 0.01049824684328 0.25000000000000 0.84331608807849 158.925 > 109 113 Tb 0.01049824684328 0.58333333333333 0.84331608807849 158.925 > 109 114 Tb 0.01049824684328 0.91666666666667 0.84331608807849 158.925 > 109 115 Tb 0.98950175315672 0.08333333333333 0.15668391192151 158.925 > 115 116 Tb 0.98950175315672 0.41666666666667 0.15668391192151 158.925 > 115 117 Tb 0.98950175315672 0.75000000000000 0.15668391192151 158.925 > 115 118 Tb 0.98950175315672 0.08333333333333 0.65668391192151 158.925 > 115 119 Tb 0.98950175315672 0.41666666666667 0.65668391192151 158.925 > 115 120 Tb 0.98950175315672 0.75000000000000 0.65668391192151 158.925 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.0757153 0.0000000 0.0000000 0.0000000 8.9947423 0.0000000 0.0000000 0.0000000 9.2683059 -------------------------- Born effective charges -------------------------- 1 S -3.1529233 0.0000000 -0.0593671 0.0000000 -2.1682891 0.0000000 -0.0445164 0.0000000 -2.8435851 2 S -3.1529233 0.0000000 -0.0593671 0.0000000 -2.1682891 0.0000000 -0.0445164 0.0000000 -2.8435851 3 S -3.1529233 0.0000000 0.0593671 0.0000000 -2.1682891 0.0000000 0.0445164 0.0000000 -2.8435851 4 S -3.1529233 0.0000000 0.0593671 0.0000000 -2.1682891 0.0000000 0.0445164 0.0000000 -2.8435851 5 S -2.4285182 0.0000000 0.4110482 0.0000000 -2.7933091 0.0000000 0.4005756 0.0000000 -2.1654529 6 S -2.4285182 0.0000000 0.4110482 0.0000000 -2.7933091 0.0000000 0.4005756 0.0000000 -2.1654529 7 S -2.4285182 0.0000000 -0.4110482 0.0000000 -2.7933091 0.0000000 -0.4005756 0.0000000 -2.1654529 8 S -2.4285182 0.0000000 -0.4110482 0.0000000 -2.7933091 0.0000000 -0.4005756 0.0000000 -2.1654529 9 S -2.2557286 0.0000000 -0.6407491 0.0000000 -3.0641860 0.0000000 -0.2584609 0.0000000 -2.5908371 10 S -2.2557286 0.0000000 -0.6407491 0.0000000 -3.0641860 0.0000000 -0.2584609 0.0000000 -2.5908371 11 S -2.2557286 0.0000000 0.6407491 0.0000000 -3.0641860 0.0000000 0.2584609 0.0000000 -2.5908371 12 S -2.2557286 0.0000000 0.6407491 0.0000000 -3.0641860 0.0000000 0.2584609 0.0000000 -2.5908371 13 Tb 3.5204042 0.0000000 0.0517562 0.0000000 4.2791423 0.0000000 -0.2179084 0.0000000 3.6425016 14 Tb 3.5204042 0.0000000 0.0517562 0.0000000 4.2791423 0.0000000 -0.2179084 0.0000000 3.6425016 15 Tb 3.5204042 0.0000000 -0.0517562 0.0000000 4.2791423 0.0000000 0.2179084 0.0000000 3.6425016 16 Tb 3.5204042 0.0000000 -0.0517562 0.0000000 4.2791423 0.0000000 0.2179084 0.0000000 3.6425016 17 Tb 4.3167659 0.0000000 -0.3146765 0.0000000 3.7466419 0.0000000 0.4219028 0.0000000 3.9573734 18 Tb 4.3167659 0.0000000 -0.3146765 0.0000000 3.7466419 0.0000000 0.4219028 0.0000000 3.9573734 19 Tb 4.3167659 0.0000000 0.3146765 0.0000000 3.7466419 0.0000000 -0.4219028 0.0000000 3.9573734 20 Tb 4.3167659 0.0000000 0.3146765 0.0000000 3.7466419 0.0000000 -0.4219028 0.0000000 3.9573734 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) 0.00000000 (zzx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 5 ] 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: 0.56, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 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 1.659 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 0.000) 0.000 7.575 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.291 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.758 ( 0.000 0.000 0.000) 0.000 9.266 ( 0.000 0.000 0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 9.718 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 10.098 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 25.654 0.000 0.000) 25.654 0.513 ( 26.740 0.000 0.000) 26.740 0.955 ( 49.419 0.000 0.000) 49.419 1.736 ( 7.940 0.000 0.000) 7.940 1.743 ( -18.219 0.000 0.000) 18.219 1.819 ( -16.507 0.000 0.000) 16.507 2.156 ( 1.712 0.000 0.000) 1.712 2.321 ( -3.097 0.000 0.000) 3.097 2.378 ( -4.485 0.000 0.000) 4.485 2.412 ( -4.046 0.000 0.000) 4.046 2.482 ( -2.728 0.000 0.000) 2.728 2.496 ( 2.545 0.000 0.000) 2.545 2.545 ( 9.106 0.000 0.000) 9.106 2.626 ( 9.300 0.000 0.000) 9.300 2.669 ( -2.178 0.000 0.000) 2.178 2.852 ( -1.553 0.000 0.000) 1.553 3.269 ( -27.646 0.000 0.000) 27.646 3.368 ( 12.880 0.000 0.000) 12.880 3.550 ( -4.818 0.000 0.000) 4.818 3.829 ( 3.146 0.000 0.000) 3.146 3.842 ( 3.077 0.000 0.000) 3.077 3.992 ( -2.340 0.000 0.000) 2.340 4.250 ( 7.195 0.000 0.000) 7.195 4.737 ( -4.838 0.000 0.000) 4.838 4.886 ( 1.111 0.000 0.000) 1.111 4.977 ( -1.084 0.000 0.000) 1.084 5.228 ( 0.901 0.000 0.000) 0.901 5.298 ( -0.790 0.000 0.000) 0.790 5.458 ( -0.562 0.000 0.000) 0.562 5.614 ( 7.142 0.000 0.000) 7.142 5.625 ( -2.810 0.000 0.000) 2.810 6.112 ( -10.676 0.000 0.000) 10.676 6.407 ( 2.745 0.000 0.000) 2.745 6.524 ( 4.051 0.000 0.000) 4.051 6.877 ( -1.141 0.000 0.000) 1.141 6.928 ( -0.817 0.000 0.000) 0.817 7.064 ( 1.033 0.000 0.000) 1.033 7.115 ( 0.288 0.000 0.000) 0.288 7.212 ( -1.679 0.000 0.000) 1.679 7.288 ( 0.318 0.000 0.000) 0.318 7.344 ( 2.031 0.000 0.000) 2.031 7.377 ( -1.541 0.000 0.000) 1.541 7.423 ( -2.610 0.000 0.000) 2.610 7.535 ( 0.566 0.000 0.000) 0.566 7.573 ( -0.254 0.000 0.000) 0.254 7.613 ( 11.173 0.000 0.000) 11.173 7.793 ( -8.996 0.000 0.000) 8.996 7.898 ( 0.795 0.000 0.000) 0.795 7.932 ( -0.118 0.000 0.000) 0.118 8.140 ( -6.896 0.000 0.000) 6.896 8.266 ( 0.681 0.000 0.000) 0.681 8.298 ( 0.222 0.000 0.000) 0.222 8.607 ( 8.452 0.000 0.000) 8.452 8.764 ( 0.531 0.000 0.000) 0.531 9.255 ( 3.062 0.000 0.000) 3.062 9.287 ( 2.142 0.000 0.000) 2.142 9.551 ( -5.420 0.000 0.000) 5.420 9.665 ( -5.406 0.000 0.000) 5.406 9.871 ( 5.353 0.000 0.000) 5.353 10.086 ( -1.341 0.000 0.000) 1.341 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 23.389 0.000 0.000) 23.389 1.004 ( 24.985 0.000 0.000) 24.985 1.376 ( -20.453 0.000 0.000) 20.453 1.450 ( -21.941 0.000 0.000) 21.941 1.850 ( 44.040 0.000 0.000) 44.040 1.943 ( 13.372 0.000 0.000) 13.372 2.201 ( 2.888 0.000 0.000) 2.888 2.231 ( -14.751 0.000 0.000) 14.751 2.260 ( -3.289 0.000 0.000) 3.289 2.308 ( -1.984 0.000 0.000) 1.984 2.331 ( -3.460 0.000 0.000) 3.460 2.552 ( 3.316 0.000 0.000) 3.316 2.616 ( -3.265 0.000 0.000) 3.265 2.647 ( -37.377 0.000 0.000) 37.377 2.699 ( 6.885 0.000 0.000) 6.885 2.801 ( -3.937 0.000 0.000) 3.937 2.997 ( 21.179 0.000 0.000) 21.179 3.354 ( -15.474 0.000 0.000) 15.474 3.621 ( 13.070 0.000 0.000) 13.070 3.843 ( -9.118 0.000 0.000) 9.118 3.900 ( 2.276 0.000 0.000) 2.276 3.907 ( 1.041 0.000 0.000) 1.041 4.425 ( 10.023 0.000 0.000) 10.023 4.607 ( -8.681 0.000 0.000) 8.681 4.914 ( 1.781 0.000 0.000) 1.781 4.949 ( -1.763 0.000 0.000) 1.763 5.251 ( 1.400 0.000 0.000) 1.400 5.278 ( -1.332 0.000 0.000) 1.332 5.480 ( 2.738 0.000 0.000) 2.738 5.552 ( -4.434 0.000 0.000) 4.434 5.763 ( 8.298 0.000 0.000) 8.298 5.925 ( -9.006 0.000 0.000) 9.006 6.475 ( 4.081 0.000 0.000) 4.081 6.539 ( -2.011 0.000 0.000) 2.011 6.862 ( 0.014 0.000 0.000) 0.014 6.889 ( -2.611 0.000 0.000) 2.611 7.089 ( 1.478 0.000 0.000) 1.478 7.112 ( -0.766 0.000 0.000) 0.766 7.245 ( 4.505 0.000 0.000) 4.505 7.310 ( 2.089 0.000 0.000) 2.089 7.329 ( -3.603 0.000 0.000) 3.603 7.363 ( -3.327 0.000 0.000) 3.327 7.435 ( 7.006 0.000 0.000) 7.006 7.549 ( 0.824 0.000 0.000) 0.824 7.564 ( -0.683 0.000 0.000) 0.683 7.602 ( -10.189 0.000 0.000) 10.189 7.818 ( 10.254 0.000 0.000) 10.254 7.914 ( 0.849 0.000 0.000) 0.849 7.927 ( -0.453 0.000 0.000) 0.453 7.995 ( -8.460 0.000 0.000) 8.460 8.282 ( 0.908 0.000 0.000) 0.908 8.296 ( -0.463 0.000 0.000) 0.463 8.732 ( 4.120 0.000 0.000) 4.120 8.769 ( -0.330 0.000 0.000) 0.330 9.344 ( 3.636 0.000 0.000) 3.636 9.349 ( 5.992 0.000 0.000) 5.992 9.454 ( -3.796 0.000 0.000) 3.796 9.530 ( -8.208 0.000 0.000) 8.208 9.970 ( 4.771 0.000 0.000) 4.771 10.045 ( -3.072 0.000 0.000) 3.072 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.000 26.935 0.000) 26.935 0.570 ( 0.000 28.293 0.000) 28.293 0.977 ( 0.000 48.282 0.000) 48.282 1.675 ( 0.000 1.977 0.000) 1.977 1.927 ( 0.000 -3.493 0.000) 3.493 2.066 ( 0.000 5.698 0.000) 5.698 2.268 ( 0.000 0.870 0.000) 0.870 2.336 ( 0.000 15.356 0.000) 15.356 2.363 ( 0.000 -0.146 0.000) 0.146 2.435 ( 0.000 3.460 0.000) 3.460 2.470 ( 0.000 5.948 0.000) 5.948 2.478 ( 0.000 0.267 0.000) 0.267 2.627 ( 0.000 11.175 0.000) 11.175 2.709 ( 0.000 0.367 0.000) 0.367 2.767 ( 0.000 7.082 0.000) 7.082 2.915 ( 0.000 4.602 0.000) 4.602 3.228 ( 0.000 2.039 0.000) 2.039 3.618 ( 0.000 4.286 0.000) 4.286 3.648 ( 0.000 4.403 0.000) 4.403 3.758 ( 0.000 -4.358 0.000) 4.358 3.775 ( 0.000 -1.812 0.000) 1.812 3.958 ( 0.000 2.096 0.000) 2.096 4.155 ( 0.000 -4.224 0.000) 4.224 4.720 ( 0.000 -6.375 0.000) 6.375 4.946 ( 0.000 6.730 0.000) 6.730 5.017 ( 0.000 2.990 0.000) 2.990 5.340 ( 0.000 3.226 0.000) 3.226 5.447 ( 0.000 5.234 0.000) 5.234 5.505 ( 0.000 -0.586 0.000) 0.586 5.667 ( 0.000 1.565 0.000) 1.565 5.845 ( 0.000 1.644 0.000) 1.644 6.280 ( 0.000 1.373 0.000) 1.373 6.353 ( 0.000 -7.663 0.000) 7.663 6.394 ( 0.000 1.496 0.000) 1.496 6.547 ( 0.000 1.025 0.000) 1.025 6.915 ( 0.000 -1.425 0.000) 1.425 6.995 ( 0.000 -2.258 0.000) 2.258 7.031 ( 0.000 -2.007 0.000) 2.007 7.158 ( 0.000 -5.775 0.000) 5.775 7.177 ( 0.000 4.162 0.000) 4.162 7.296 ( 0.000 -3.185 0.000) 3.185 7.361 ( 0.000 -4.558 0.000) 4.558 7.382 ( 0.000 -0.824 0.000) 0.824 7.549 ( 0.000 1.012 0.000) 1.012 7.666 ( 0.000 12.194 0.000) 12.194 7.701 ( 0.000 10.086 0.000) 10.086 7.882 ( 0.000 -0.697 0.000) 0.697 7.900 ( 0.000 -2.034 0.000) 2.034 7.927 ( 0.000 3.152 0.000) 3.152 8.291 ( 0.000 -0.598 0.000) 0.598 8.315 ( 0.000 5.234 0.000) 5.234 8.466 ( 0.000 -2.518 0.000) 2.518 8.503 ( 0.000 6.402 0.000) 6.402 8.739 ( 0.000 -1.670 0.000) 1.670 9.226 ( 0.000 -3.854 0.000) 3.854 9.361 ( 0.000 -0.897 0.000) 0.897 9.477 ( 0.000 -3.961 0.000) 3.961 9.682 ( 0.000 -3.461 0.000) 3.461 9.778 ( 0.000 -2.374 0.000) 2.374 10.079 ( 0.000 -1.901 0.000) 1.901 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 15.706 20.463 0.000) 25.796 0.762 ( 18.353 20.092 0.000) 27.213 1.345 ( 33.351 33.189 0.000) 47.051 1.732 ( -14.902 0.305 0.000) 14.905 1.733 ( 4.343 1.040 0.000) 4.466 1.908 ( -12.288 7.534 0.000) 14.414 2.285 ( -1.233 7.997 0.000) 8.091 2.334 ( -4.251 0.854 0.000) 4.336 2.403 ( 1.226 3.942 0.000) 4.129 2.423 ( -2.926 3.084 0.000) 4.251 2.478 ( 1.351 2.130 0.000) 2.523 2.577 ( 3.505 6.749 0.000) 7.605 2.616 ( 0.252 0.566 0.000) 0.620 2.643 ( 4.178 9.242 0.000) 10.142 2.779 ( 2.775 8.210 0.000) 8.666 2.898 ( -1.458 4.421 0.000) 4.655 3.350 ( -25.171 7.793 0.000) 26.349 3.372 ( 12.015 0.699 0.000) 12.035 3.566 ( -6.679 1.025 0.000) 6.757 3.807 ( 4.762 -1.737 0.000) 5.069 3.814 ( 3.439 -2.280 0.000) 4.126 3.972 ( -4.215 -1.964 0.000) 4.650 4.221 ( 7.489 -2.595 0.000) 7.926 4.674 ( -4.673 -6.189 0.000) 7.755 4.955 ( 0.966 6.578 0.000) 6.649 5.015 ( -0.328 3.553 0.000) 3.568 5.336 ( -0.448 3.473 0.000) 3.501 5.373 ( -4.285 6.270 0.000) 7.594 5.525 ( -2.146 3.559 0.000) 4.156 5.639 ( -2.956 1.414 0.000) 3.277 5.689 ( 0.760 8.114 0.000) 8.150 6.106 ( -10.237 -0.805 0.000) 10.269 6.414 ( 2.301 0.894 0.000) 2.468 6.480 ( 5.236 -3.994 0.000) 6.586 6.775 ( 6.754 -7.294 0.000) 9.940 6.897 ( -1.823 -2.432 0.000) 3.039 7.039 ( 1.027 -2.145 0.000) 2.378 7.062 ( 5.046 -4.797 0.000) 6.962 7.158 ( -0.232 -4.309 0.000) 4.316 7.216 ( 4.514 2.180 0.000) 5.013 7.288 ( 3.313 -2.343 0.000) 4.058 7.328 ( -4.499 -3.798 0.000) 5.888 7.438 ( 2.850 -1.587 0.000) 3.262 7.584 ( 2.551 2.771 0.000) 3.766 7.676 ( 2.780 7.097 0.000) 7.622 7.706 ( 0.145 10.472 0.000) 10.473 7.767 ( -7.064 -1.148 0.000) 7.157 7.928 ( 0.048 2.545 0.000) 2.545 7.931 ( -0.444 1.838 0.000) 1.891 8.220 ( -12.462 2.081 0.000) 12.635 8.288 ( -0.039 -0.884 0.000) 0.884 8.311 ( -0.315 3.990 0.000) 4.002 8.709 ( 8.759 5.310 0.000) 10.243 8.758 ( 1.878 -0.335 0.000) 1.908 9.247 ( 2.207 -3.764 0.000) 4.363 9.266 ( -2.014 0.321 0.000) 2.039 9.498 ( -2.708 -4.163 0.000) 4.966 9.632 ( -5.159 -3.182 0.000) 6.061 9.827 ( 5.087 -3.508 0.000) 6.180 10.063 ( -1.673 -2.220 0.000) 2.780 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 18.738 11.350 0.000) 21.907 1.146 ( 21.208 13.227 0.000) 24.994 1.424 ( -17.272 5.082 0.000) 18.004 1.536 ( -19.343 8.383 0.000) 21.081 1.954 ( 11.446 1.171 0.000) 11.506 2.050 ( 37.149 18.518 0.000) 41.509 2.180 ( -10.496 -0.854 0.000) 10.531 2.280 ( -0.910 2.373 0.000) 2.542 2.336 ( -4.994 2.849 0.000) 5.750 2.404 ( -1.322 8.115 0.000) 8.222 2.406 ( 0.812 13.631 0.000) 13.655 2.610 ( 1.914 5.894 0.000) 6.197 2.651 ( -1.652 2.936 0.000) 3.369 2.742 ( -7.047 7.613 0.000) 10.374 2.801 ( -20.600 11.348 0.000) 23.519 2.852 ( -3.348 4.999 0.000) 6.016 3.019 ( 18.738 2.193 0.000) 18.866 3.355 ( -15.262 0.029 0.000) 15.262 3.609 ( 12.286 -1.084 0.000) 12.334 3.823 ( -10.065 -2.253 0.000) 10.314 3.879 ( 2.650 -1.907 0.000) 3.265 3.887 ( 2.201 -1.286 0.000) 2.549 4.383 ( 9.071 -4.087 0.000) 9.950 4.550 ( -8.140 -5.539 0.000) 9.846 4.979 ( 1.391 6.038 0.000) 6.196 5.002 ( -1.000 4.914 0.000) 5.014 5.326 ( -0.457 4.258 0.000) 4.282 5.326 ( -0.819 5.693 0.000) 5.752 5.509 ( 1.354 2.880 0.000) 3.182 5.566 ( -4.133 1.521 0.000) 4.404 5.792 ( 7.158 3.083 0.000) 7.794 5.935 ( -8.035 0.963 0.000) 8.093 6.470 ( 3.258 -0.319 0.000) 3.274 6.516 ( -0.933 -2.095 0.000) 2.294 6.823 ( 0.963 -3.402 0.000) 3.536 6.853 ( -2.358 -2.899 0.000) 3.737 7.073 ( 2.222 -1.707 0.000) 2.802 7.102 ( -0.348 -1.275 0.000) 1.321 7.178 ( 2.499 -4.889 0.000) 5.491 7.243 ( -4.136 -6.051 0.000) 7.329 7.318 ( 5.143 1.498 0.000) 5.357 7.384 ( 1.798 0.725 0.000) 1.938 7.441 ( 2.715 1.511 0.000) 3.107 7.576 ( -6.350 -1.331 0.000) 6.488 7.672 ( -0.200 8.079 0.000) 8.082 7.693 ( -1.135 10.072 0.000) 10.136 7.804 ( 9.137 -0.459 0.000) 9.148 7.917 ( -0.651 0.864 0.000) 1.082 7.928 ( 0.008 1.569 0.000) 1.569 8.005 ( -10.270 0.416 0.000) 10.278 8.294 ( 0.495 -0.538 0.000) 0.731 8.304 ( -0.471 1.475 0.000) 1.549 8.797 ( 1.811 2.473 0.000) 3.065 8.806 ( 1.632 5.385 0.000) 5.626 9.305 ( 3.547 -3.626 0.000) 5.072 9.313 ( 4.911 -3.014 0.000) 5.762 9.425 ( -2.918 -2.551 0.000) 3.876 9.502 ( -7.884 -2.564 0.000) 8.290 9.930 ( 5.208 -3.662 0.000) 6.366 10.014 ( -3.536 -2.948 0.000) 4.604 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.000 25.271 0.000) 25.271 1.123 ( 0.000 26.657 0.000) 26.657 1.750 ( 0.000 5.431 0.000) 5.431 1.895 ( 0.000 0.621 0.000) 0.621 1.915 ( 0.000 44.530 0.000) 44.530 2.219 ( 0.000 9.155 0.000) 9.155 2.302 ( 0.000 2.956 0.000) 2.956 2.419 ( 0.000 5.588 0.000) 5.588 2.469 ( 0.000 -1.501 0.000) 1.501 2.515 ( 0.000 4.239 0.000) 4.239 2.616 ( 0.000 7.947 0.000) 7.947 2.637 ( 0.000 11.661 0.000) 11.661 2.741 ( 0.000 3.286 0.000) 3.286 2.886 ( 0.000 14.132 0.000) 14.132 2.957 ( 0.000 11.206 0.000) 11.206 3.031 ( 0.000 6.496 0.000) 6.496 3.327 ( 0.000 9.586 0.000) 9.586 3.630 ( 0.000 -7.878 0.000) 7.878 3.719 ( 0.000 -3.847 0.000) 3.847 3.738 ( 0.000 7.406 0.000) 7.406 3.761 ( 0.000 5.945 0.000) 5.945 4.027 ( 0.000 4.457 0.000) 4.457 4.054 ( 0.000 -4.792 0.000) 4.792 4.533 ( 0.000 -12.129 0.000) 12.129 5.107 ( 0.000 5.996 0.000) 5.996 5.122 ( 0.000 10.222 0.000) 10.222 5.423 ( 0.000 4.759 0.000) 4.759 5.501 ( 0.000 0.488 0.000) 0.488 5.587 ( 0.000 8.274 0.000) 8.274 5.711 ( 0.000 2.611 0.000) 2.611 5.882 ( 0.000 1.938 0.000) 1.938 6.154 ( 0.000 -11.320 0.000) 11.320 6.320 ( 0.000 2.605 0.000) 2.605 6.443 ( 0.000 3.355 0.000) 3.355 6.570 ( 0.000 0.932 0.000) 0.932 6.881 ( 0.000 -2.122 0.000) 2.122 6.956 ( 0.000 -0.950 0.000) 0.950 6.998 ( 0.000 -0.668 0.000) 0.668 7.053 ( 0.000 -4.320 0.000) 4.320 7.258 ( 0.000 -5.301 0.000) 5.301 7.274 ( 0.000 0.186 0.000) 0.186 7.282 ( 0.000 5.575 0.000) 5.575 7.360 ( 0.000 -1.029 0.000) 1.029 7.523 ( 0.000 -4.086 0.000) 4.086 7.862 ( 0.000 -1.391 0.000) 1.391 7.892 ( 0.000 9.905 0.000) 9.905 7.902 ( 0.000 7.213 0.000) 7.213 7.904 ( 0.000 2.777 0.000) 2.777 8.002 ( 0.000 5.729 0.000) 5.729 8.261 ( 0.000 -2.403 0.000) 2.403 8.394 ( 0.000 -4.547 0.000) 4.547 8.447 ( 0.000 7.318 0.000) 7.318 8.657 ( 0.000 8.036 0.000) 8.036 8.707 ( 0.000 -0.970 0.000) 0.970 9.124 ( 0.000 -5.913 0.000) 5.913 9.329 ( 0.000 -2.556 0.000) 2.556 9.379 ( 0.000 -5.108 0.000) 5.108 9.590 ( 0.000 -5.360 0.000) 5.360 9.718 ( 0.000 -3.322 0.000) 3.322 10.026 ( 0.000 -3.192 0.000) 3.192 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 7.473 23.712 0.000) 24.861 1.204 ( 12.537 22.883 0.000) 26.092 1.775 ( -9.561 4.449 0.000) 10.545 1.795 ( 4.280 5.068 0.000) 6.633 2.096 ( -10.928 10.808 0.000) 15.370 2.097 ( 17.640 38.476 0.000) 42.327 2.335 ( -4.160 0.818 0.000) 4.240 2.388 ( -2.991 4.874 0.000) 5.719 2.469 ( 1.460 0.909 0.000) 1.720 2.501 ( 2.197 5.324 0.000) 5.759 2.606 ( 0.687 3.633 0.000) 3.697 2.732 ( 6.636 7.966 0.000) 10.368 2.741 ( 0.538 12.728 0.000) 12.739 2.884 ( 0.290 13.882 0.000) 13.885 2.955 ( 1.057 8.198 0.000) 8.266 3.028 ( -0.399 9.399 0.000) 9.407 3.425 ( 8.471 5.925 0.000) 10.337 3.542 ( -10.868 -0.086 0.000) 10.868 3.564 ( -15.198 8.800 0.000) 17.562 3.753 ( 3.513 -3.847 0.000) 5.209 3.803 ( 4.364 2.273 0.000) 4.920 3.917 ( -6.444 -3.126 0.000) 7.162 4.168 ( 5.690 -2.161 0.000) 6.087 4.494 ( -3.971 -11.621 0.000) 12.280 5.115 ( 0.776 6.432 0.000) 6.479 5.126 ( 0.416 9.883 0.000) 9.892 5.422 ( -0.145 4.739 0.000) 4.741 5.465 ( -2.650 3.455 0.000) 4.354 5.592 ( -0.472 4.388 0.000) 4.414 5.680 ( -3.040 2.595 0.000) 3.997 5.850 ( -0.665 6.766 0.000) 6.798 6.061 ( -6.261 -4.216 0.000) 7.548 6.404 ( 5.191 -2.405 0.000) 5.721 6.447 ( 0.794 2.291 0.000) 2.424 6.671 ( 6.534 -3.262 0.000) 7.303 6.851 ( -2.686 -2.171 0.000) 3.454 6.997 ( 0.205 -1.690 0.000) 1.702 6.999 ( 4.331 -1.545 0.000) 4.599 7.074 ( 1.355 -3.654 0.000) 3.897 7.248 ( -8.098 -3.769 0.000) 8.932 7.256 ( 4.045 -1.524 0.000) 4.323 7.308 ( 2.711 5.335 0.000) 5.984 7.383 ( 6.583 -2.729 0.000) 7.127 7.582 ( 1.943 -2.503 0.000) 3.169 7.793 ( -1.937 2.692 0.000) 3.316 7.842 ( -2.827 7.713 0.000) 8.215 7.923 ( 0.184 9.402 0.000) 9.404 7.971 ( 2.400 2.152 0.000) 3.224 7.990 ( -1.005 4.687 0.000) 4.793 8.220 ( -8.498 -1.668 0.000) 8.660 8.268 ( -3.719 -1.268 0.000) 3.930 8.397 ( -4.090 4.096 0.000) 5.789 8.763 ( 4.592 0.963 0.000) 4.692 8.789 ( 8.476 3.151 0.000) 9.043 9.150 ( 2.678 -5.475 0.000) 6.095 9.255 ( -3.094 -1.288 0.000) 3.351 9.411 ( -0.649 -4.223 0.000) 4.272 9.549 ( -4.253 -4.744 0.000) 6.371 9.746 ( 3.455 -4.304 0.000) 5.519 10.003 ( -2.463 -3.635 0.000) 4.390 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 10.636 17.200 0.000) 20.222 1.481 ( 15.569 18.990 0.000) 24.557 1.582 ( -10.489 10.422 0.000) 14.786 1.765 ( -12.407 13.763 0.000) 18.530 2.000 ( 6.252 3.766 0.000) 7.299 2.175 ( -10.015 0.837 0.000) 10.050 2.357 ( 0.159 5.210 0.000) 5.212 2.401 ( -4.015 4.179 0.000) 5.796 2.499 ( 16.821 21.471 0.000) 27.275 2.559 ( 2.908 6.222 0.000) 6.868 2.695 ( 6.337 7.961 0.000) 10.175 2.788 ( 5.459 17.184 0.000) 18.031 2.790 ( -0.624 10.742 0.000) 10.760 2.924 ( 3.593 10.724 0.000) 11.310 2.989 ( -1.815 7.531 0.000) 7.746 3.089 ( 11.784 5.716 0.000) 13.098 3.131 ( -24.761 19.962 0.000) 31.805 3.352 ( -13.384 -0.050 0.000) 13.384 3.593 ( 8.715 0.186 0.000) 8.717 3.751 ( -7.980 -4.301 0.000) 9.065 3.836 ( 4.437 -2.045 0.000) 4.886 3.883 ( 0.217 1.092 0.000) 1.113 4.270 ( 5.831 -6.908 0.000) 9.040 4.392 ( -6.461 -10.075 0.000) 11.968 5.130 ( 0.600 7.580 0.000) 7.603 5.134 ( 0.212 8.922 0.000) 8.924 5.420 ( 0.002 4.613 0.000) 4.613 5.428 ( -1.093 4.429 0.000) 4.562 5.581 ( 0.196 3.850 0.000) 3.855 5.614 ( -3.193 3.153 0.000) 4.487 5.884 ( 3.468 5.615 0.000) 6.600 5.960 ( -4.477 1.352 0.000) 4.677 6.466 ( 0.969 -0.068 0.000) 0.972 6.467 ( 1.364 -2.422 0.000) 2.779 6.752 ( 2.610 -3.181 0.000) 4.115 6.797 ( -2.622 -2.311 0.000) 3.495 7.022 ( 2.737 -3.312 0.000) 4.297 7.076 ( 1.727 -1.077 0.000) 2.035 7.096 ( 0.783 -2.841 0.000) 2.946 7.113 ( -5.089 -6.129 0.000) 7.967 7.374 ( 6.184 -1.368 0.000) 6.333 7.378 ( 3.966 3.139 0.000) 5.058 7.467 ( 1.790 0.123 0.000) 1.794 7.541 ( -5.102 -1.566 0.000) 5.337 7.819 ( 3.079 5.566 0.000) 6.361 7.831 ( 2.278 3.570 0.000) 4.234 7.908 ( -0.854 10.021 0.000) 10.057 7.972 ( -2.352 3.743 0.000) 4.421 7.977 ( -0.122 3.240 0.000) 3.242 8.021 ( -8.647 1.820 0.000) 8.837 8.270 ( 1.911 -1.793 0.000) 2.621 8.323 ( -3.510 0.423 0.000) 3.535 8.845 ( 3.630 1.698 0.000) 4.007 8.880 ( 0.741 1.393 0.000) 1.578 9.219 ( 4.144 -4.332 0.000) 5.995 9.257 ( 1.748 -2.093 0.000) 2.727 9.369 ( -1.346 -2.621 0.000) 2.947 9.441 ( -6.506 -3.120 0.000) 7.216 9.838 ( 5.515 -5.238 0.000) 7.606 9.936 ( -4.535 -4.621 0.000) 6.474 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 22.135 0.000) 22.135 1.622 ( 0.000 22.845 0.000) 22.845 1.880 ( 0.000 7.168 0.000) 7.168 1.952 ( 0.000 4.787 0.000) 4.787 2.343 ( 0.000 3.805 0.000) 3.805 2.415 ( 0.000 10.059 0.000) 10.059 2.419 ( 0.000 -3.143 0.000) 3.143 2.566 ( 0.000 8.226 0.000) 8.226 2.602 ( 0.000 4.413 0.000) 4.413 2.694 ( 0.000 19.218 0.000) 19.218 2.771 ( 0.000 3.119 0.000) 3.119 2.774 ( 0.000 7.862 0.000) 7.862 2.929 ( 0.000 26.086 0.000) 26.086 3.127 ( 0.000 4.479 0.000) 4.479 3.131 ( 0.000 6.638 0.000) 6.638 3.157 ( 0.000 5.731 0.000) 5.731 3.505 ( 0.000 -0.805 0.000) 0.805 3.622 ( 0.000 -1.333 0.000) 1.333 3.668 ( 0.000 18.916 0.000) 18.916 3.806 ( 0.000 -2.872 0.000) 2.872 3.896 ( 0.000 7.972 0.000) 7.972 4.041 ( 0.000 4.723 0.000) 4.723 4.124 ( 0.000 4.979 0.000) 4.979 4.248 ( 0.000 -15.909 0.000) 15.909 5.253 ( 0.000 8.344 0.000) 8.344 5.328 ( 0.000 9.728 0.000) 9.728 5.519 ( 0.000 4.572 0.000) 4.572 5.529 ( 0.000 2.288 0.000) 2.288 5.759 ( 0.000 8.548 0.000) 8.548 5.763 ( 0.000 2.358 0.000) 2.358 5.921 ( 0.000 1.918 0.000) 1.918 5.934 ( 0.000 -9.936 0.000) 9.936 6.383 ( 0.000 3.592 0.000) 3.592 6.521 ( 0.000 4.270 0.000) 4.270 6.570 ( 0.000 -1.058 0.000) 1.058 6.828 ( 0.000 -2.995 0.000) 2.995 6.978 ( 0.000 3.335 0.000) 3.335 6.989 ( 0.000 -2.163 0.000) 2.163 7.008 ( 0.000 1.328 0.000) 1.328 7.165 ( 0.000 -3.631 0.000) 3.631 7.282 ( 0.000 0.331 0.000) 0.331 7.296 ( 0.000 -2.852 0.000) 2.852 7.408 ( 0.000 -6.634 0.000) 6.634 7.429 ( 0.000 6.289 0.000) 6.289 7.825 ( 0.000 -2.314 0.000) 2.314 7.927 ( 0.000 -2.272 0.000) 2.272 7.983 ( 0.000 4.196 0.000) 4.196 8.049 ( 0.000 5.491 0.000) 5.491 8.191 ( 0.000 10.716 0.000) 10.716 8.198 ( 0.000 -3.732 0.000) 3.732 8.292 ( 0.000 -5.344 0.000) 5.344 8.580 ( 0.000 5.384 0.000) 5.384 8.710 ( 0.000 1.201 0.000) 1.201 8.785 ( 0.000 3.962 0.000) 3.962 9.008 ( 0.000 -5.289 0.000) 5.289 9.255 ( 0.000 -4.808 0.000) 4.808 9.309 ( 0.000 -1.053 0.000) 1.053 9.488 ( 0.000 -4.238 0.000) 4.238 9.657 ( 0.000 -2.620 0.000) 2.620 9.955 ( 0.000 -3.838 0.000) 3.838 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 9.783 20.957 0.000) 23.128 1.653 ( 3.070 20.992 0.000) 21.216 1.896 ( -4.490 7.259 0.000) 8.536 1.921 ( 4.229 7.128 0.000) 8.288 2.326 ( -8.692 11.843 0.000) 14.691 2.346 ( -4.849 1.140 0.000) 4.982 2.473 ( 7.335 0.254 0.000) 7.339 2.519 ( -2.528 7.586 0.000) 7.996 2.612 ( 1.397 5.748 0.000) 5.915 2.676 ( -4.084 3.723 0.000) 5.527 2.768 ( 5.305 17.565 0.000) 18.349 2.875 ( 7.119 6.006 0.000) 9.315 3.001 ( 5.742 17.397 0.000) 18.320 3.083 ( 0.035 9.549 0.000) 9.550 3.116 ( -1.566 5.408 0.000) 5.630 3.239 ( 3.750 8.930 0.000) 9.686 3.487 ( -2.219 1.468 0.000) 2.661 3.659 ( 1.079 1.854 0.000) 2.145 3.680 ( 4.360 12.194 0.000) 12.950 3.748 ( -5.894 0.500 0.000) 5.915 3.872 ( -8.478 8.250 0.000) 11.829 3.939 ( -1.778 6.929 0.000) 7.154 4.141 ( -0.522 -0.695 0.000) 0.869 4.226 ( -2.265 -14.458 0.000) 14.634 5.266 ( 1.310 8.430 0.000) 8.532 5.326 ( -0.210 9.520 0.000) 9.522 5.513 ( -0.497 4.237 0.000) 4.266 5.526 ( -0.344 3.108 0.000) 3.127 5.702 ( -3.908 6.113 0.000) 7.256 5.735 ( -2.645 2.631 0.000) 3.731 5.946 ( 1.208 -6.394 0.000) 6.507 5.959 ( 2.422 4.292 0.000) 4.928 6.402 ( 1.781 1.840 0.000) 2.561 6.494 ( -1.645 1.914 0.000) 2.524 6.629 ( 4.387 -0.989 0.000) 4.497 6.808 ( -1.940 -2.089 0.000) 2.851 6.973 ( -2.344 -0.890 0.000) 2.507 7.002 ( 2.082 1.773 0.000) 2.734 7.017 ( 2.356 -2.038 0.000) 3.115 7.174 ( -8.450 -3.390 0.000) 9.104 7.221 ( 5.669 -1.613 0.000) 5.894 7.347 ( 5.474 -1.012 0.000) 5.566 7.388 ( 0.784 0.757 0.000) 1.089 7.542 ( 3.695 0.274 0.000) 3.705 7.814 ( 1.171 -1.061 0.000) 1.580 7.913 ( -1.068 -0.581 0.000) 1.216 8.032 ( 2.945 3.914 0.000) 4.899 8.040 ( -1.010 4.466 0.000) 4.579 8.166 ( -2.567 9.959 0.000) 10.284 8.169 ( -3.400 -3.144 0.000) 4.631 8.226 ( -4.249 -2.946 0.000) 5.170 8.470 ( -7.760 3.318 0.000) 8.439 8.788 ( 4.565 1.054 0.000) 4.685 8.831 ( 3.300 0.678 0.000) 3.369 9.051 ( 4.333 -3.988 0.000) 5.889 9.230 ( -0.659 -1.066 0.000) 1.253 9.338 ( 0.880 -2.663 0.000) 2.804 9.460 ( -2.811 -3.556 0.000) 4.533 9.667 ( 1.658 -3.390 0.000) 3.774 9.924 ( -3.254 -4.161 0.000) 5.283 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.205 16.521 0.000) 17.048 1.804 ( -3.448 11.957 0.000) 12.444 1.877 ( 11.618 18.883 0.000) 22.171 2.021 ( 3.852 9.462 0.000) 10.216 2.145 ( -7.710 12.524 0.000) 14.707 2.215 ( -8.024 3.216 0.000) 8.644 2.480 ( -1.157 6.725 0.000) 6.824 2.495 ( -2.568 4.917 0.000) 5.548 2.659 ( 2.944 4.091 0.000) 5.040 2.685 ( 1.285 2.602 0.000) 2.902 2.903 ( 7.294 7.747 0.000) 10.640 2.969 ( 1.375 6.590 0.000) 6.732 3.057 ( 1.815 -0.162 0.000) 1.822 3.083 ( -1.368 1.492 0.000) 2.024 3.240 ( 14.497 25.738 0.000) 29.540 3.290 ( 3.471 11.139 0.000) 11.667 3.399 ( -7.095 6.069 0.000) 9.336 3.555 ( -15.951 20.209 0.000) 25.746 3.661 ( 0.283 6.910 0.000) 6.916 3.695 ( -4.512 0.815 0.000) 4.585 3.820 ( 8.298 1.719 0.000) 8.474 3.936 ( -2.563 4.452 0.000) 5.137 4.122 ( 0.311 -7.255 0.000) 7.262 4.168 ( -3.475 -11.078 0.000) 11.611 5.295 ( 1.525 8.677 0.000) 8.810 5.317 ( -0.760 9.076 0.000) 9.107 5.507 ( -0.032 4.221 0.000) 4.221 5.515 ( -0.749 4.416 0.000) 4.480 5.658 ( -0.405 3.974 0.000) 3.995 5.682 ( -2.489 3.300 0.000) 4.134 5.973 ( 1.369 -0.424 0.000) 1.433 5.986 ( 0.297 3.831 0.000) 3.842 6.438 ( 1.795 -0.054 0.000) 1.795 6.467 ( -1.314 0.152 0.000) 1.323 6.705 ( 3.439 -1.458 0.000) 3.735 6.762 ( -2.739 -1.387 0.000) 3.070 6.954 ( 0.737 -2.985 0.000) 3.074 7.002 ( -3.430 -4.270 0.000) 5.477 7.060 ( 1.794 -1.209 0.000) 2.163 7.077 ( -0.744 0.638 0.000) 0.980 7.343 ( 5.692 -1.369 0.000) 5.854 7.397 ( -0.445 -1.361 0.000) 1.432 7.449 ( 5.009 -1.517 0.000) 5.234 7.535 ( -3.403 0.740 0.000) 3.483 7.881 ( 3.932 1.116 0.000) 4.088 7.906 ( 0.398 2.676 0.000) 2.706 8.015 ( -1.206 1.830 0.000) 2.191 8.032 ( -2.623 1.868 0.000) 3.220 8.086 ( -2.338 3.625 0.000) 4.313 8.106 ( -3.216 7.808 0.000) 8.444 8.233 ( 3.965 -1.317 0.000) 4.178 8.334 ( -6.395 1.196 0.000) 6.506 8.850 ( 2.060 -1.117 0.000) 2.344 8.867 ( 0.325 -1.993 0.000) 2.020 9.153 ( 5.768 -2.112 0.000) 6.142 9.231 ( -1.179 -0.984 0.000) 1.536 9.334 ( 0.581 -0.599 0.000) 0.834 9.391 ( -4.156 -1.615 0.000) 4.459 9.734 ( 5.137 -4.871 0.000) 7.080 9.839 ( -5.428 -4.839 0.000) 7.272 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 17.078 0.000) 17.078 2.021 ( 0.000 6.698 0.000) 6.698 2.026 ( 0.000 17.325 0.000) 17.325 2.069 ( 0.000 6.714 0.000) 6.714 2.343 ( 0.000 -3.511 0.000) 3.511 2.426 ( 0.000 3.880 0.000) 3.880 2.603 ( 0.000 8.114 0.000) 8.114 2.691 ( 0.000 4.559 0.000) 4.559 2.702 ( 0.000 4.022 0.000) 4.022 2.811 ( 0.000 1.712 0.000) 1.712 2.851 ( 0.000 4.261 0.000) 4.261 2.940 ( 0.000 8.787 0.000) 8.787 3.075 ( 0.000 -7.341 0.000) 7.341 3.143 ( 0.000 -2.374 0.000) 2.374 3.246 ( 0.000 2.835 0.000) 2.835 3.549 ( 0.000 -2.750 0.000) 2.750 3.619 ( 0.000 33.972 0.000) 33.972 3.681 ( 0.000 14.174 0.000) 14.174 3.707 ( 0.000 -5.782 0.000) 5.782 3.919 ( 0.000 -16.166 0.000) 16.166 4.044 ( 0.000 6.651 0.000) 6.651 4.123 ( 0.000 21.935 0.000) 21.935 4.170 ( 0.000 6.561 0.000) 6.561 4.217 ( 0.000 4.161 0.000) 4.161 5.428 ( 0.000 8.858 0.000) 8.858 5.493 ( 0.000 6.526 0.000) 6.526 5.592 ( 0.000 3.906 0.000) 3.906 5.600 ( 0.000 3.377 0.000) 3.377 5.777 ( 0.000 -5.514 0.000) 5.514 5.793 ( 0.000 0.449 0.000) 0.449 5.915 ( 0.000 6.645 0.000) 6.645 5.956 ( 0.000 1.479 0.000) 1.479 6.461 ( 0.000 4.090 0.000) 4.090 6.537 ( 0.000 -1.613 0.000) 1.613 6.605 ( 0.000 3.985 0.000) 3.985 6.770 ( 0.000 -2.668 0.000) 2.668 6.964 ( 0.000 -0.321 0.000) 0.321 7.037 ( 0.000 1.249 0.000) 1.249 7.083 ( 0.000 6.722 0.000) 6.722 7.122 ( 0.000 -0.593 0.000) 0.593 7.222 ( 0.000 -4.412 0.000) 4.412 7.277 ( 0.000 -6.103 0.000) 6.103 7.281 ( 0.000 -0.553 0.000) 0.553 7.547 ( 0.000 5.138 0.000) 5.138 7.766 ( 0.000 -3.738 0.000) 3.738 7.863 ( 0.000 -3.415 0.000) 3.415 8.020 ( 0.000 -2.317 0.000) 2.317 8.102 ( 0.000 -0.298 0.000) 0.298 8.142 ( 0.000 -0.254 0.000) 0.254 8.195 ( 0.000 -3.977 0.000) 3.977 8.390 ( 0.000 8.888 0.000) 8.888 8.653 ( 0.000 2.174 0.000) 2.174 8.745 ( 0.000 1.911 0.000) 1.911 8.813 ( 0.000 -0.364 0.000) 0.364 8.921 ( 0.000 -3.545 0.000) 3.545 9.142 ( 0.000 -6.180 0.000) 6.180 9.344 ( 0.000 3.862 0.000) 3.862 9.443 ( 0.000 0.054 0.000) 0.054 9.614 ( 0.000 -1.750 0.000) 1.750 9.874 ( 0.000 -4.229 0.000) 4.229 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.572 11.052 0.000) 11.067 2.027 ( 8.195 16.546 0.000) 18.464 2.043 ( -1.799 7.023 0.000) 7.250 2.093 ( 4.651 11.611 0.000) 12.508 2.358 ( -1.171 -0.085 0.000) 1.174 2.496 ( 7.818 2.341 0.000) 8.161 2.554 ( -4.990 10.558 0.000) 11.678 2.654 ( -0.331 5.084 0.000) 5.094 2.724 ( -1.520 4.248 0.000) 4.512 2.748 ( -4.082 3.417 0.000) 5.323 2.899 ( 3.343 2.681 0.000) 4.286 2.963 ( 2.341 2.847 0.000) 3.686 3.067 ( -4.096 -1.413 0.000) 4.333 3.081 ( 0.765 -3.778 0.000) 3.854 3.353 ( 6.604 4.414 0.000) 7.943 3.537 ( 0.625 -0.748 0.000) 0.974 3.582 ( -7.057 0.214 0.000) 7.060 3.697 ( 7.069 26.578 0.000) 27.502 3.748 ( 1.053 6.153 0.000) 6.243 3.883 ( -3.163 -10.749 0.000) 11.205 4.053 ( 0.647 8.609 0.000) 8.634 4.132 ( -5.169 1.133 0.000) 5.292 4.140 ( 1.197 17.521 0.000) 17.562 4.145 ( -5.700 10.118 0.000) 11.613 5.441 ( 1.237 8.742 0.000) 8.829 5.492 ( -0.152 6.809 0.000) 6.810 5.589 ( -0.538 3.385 0.000) 3.427 5.598 ( 0.623 4.130 0.000) 4.177 5.774 ( -1.427 1.020 0.000) 1.755 5.820 ( -5.627 5.350 0.000) 7.764 5.834 ( 4.795 -4.351 0.000) 6.475 6.020 ( 2.362 1.640 0.000) 2.876 6.459 ( 0.031 3.466 0.000) 3.466 6.510 ( -1.918 0.108 0.000) 1.921 6.639 ( 2.665 1.853 0.000) 3.246 6.766 ( -0.822 -2.258 0.000) 2.403 6.959 ( -2.556 -0.397 0.000) 2.587 6.994 ( 0.316 -0.168 0.000) 0.358 7.041 ( -5.488 0.424 0.000) 5.505 7.136 ( -2.767 0.710 0.000) 2.857 7.205 ( 6.686 0.023 0.000) 6.686 7.331 ( 4.228 -0.779 0.000) 4.300 7.335 ( 2.048 -4.254 0.000) 4.721 7.594 ( 1.429 3.091 0.000) 3.406 7.763 ( 2.665 -3.463 0.000) 4.370 7.868 ( 0.891 -3.064 0.000) 3.191 8.077 ( 3.741 -3.574 0.000) 5.174 8.082 ( -2.163 -0.684 0.000) 2.269 8.114 ( -2.662 0.615 0.000) 2.732 8.174 ( -0.396 -0.938 0.000) 1.018 8.347 ( -4.457 7.919 0.000) 9.087 8.533 ( -8.406 2.863 0.000) 8.880 8.797 ( 2.324 0.117 0.000) 2.327 8.822 ( 0.676 -0.939 0.000) 1.157 8.993 ( 6.441 -2.154 0.000) 6.792 9.171 ( 2.340 -5.075 0.000) 5.588 9.346 ( 0.172 3.238 0.000) 3.243 9.425 ( -1.740 0.306 0.000) 1.766 9.613 ( 0.369 -2.065 0.000) 2.098 9.839 ( -3.637 -4.301 0.000) 5.633 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.636 9.891 0.000) 9.912 2.014 ( -1.207 8.591 0.000) 8.675 2.192 ( 5.488 9.082 0.000) 10.611 2.222 ( 10.052 13.958 0.000) 17.201 2.305 ( -2.853 6.367 0.000) 6.977 2.436 ( -8.269 14.517 0.000) 16.707 2.591 ( 0.312 4.718 0.000) 4.728 2.608 ( -3.028 5.495 0.000) 6.275 2.722 ( 1.315 1.993 0.000) 2.388 2.723 ( 1.466 1.548 0.000) 2.132 2.989 ( 6.421 1.950 0.000) 6.711 2.998 ( 1.019 -3.587 0.000) 3.728 3.017 ( -1.151 -2.937 0.000) 3.154 3.088 ( -1.616 2.161 0.000) 2.698 3.400 ( -0.256 2.298 0.000) 2.312 3.444 ( -6.017 -2.433 0.000) 6.490 3.659 ( 10.866 2.867 0.000) 11.238 3.756 ( 0.202 5.580 0.000) 5.583 3.819 ( -0.495 3.391 0.000) 3.427 3.861 ( 7.395 11.415 0.000) 13.601 3.935 ( -12.020 3.618 0.000) 12.552 4.008 ( -6.618 10.444 0.000) 12.364 4.122 ( 1.701 10.919 0.000) 11.051 4.149 ( -0.578 13.366 0.000) 13.379 5.468 ( 1.321 8.301 0.000) 8.406 5.486 ( -0.570 7.539 0.000) 7.560 5.593 ( 0.888 4.398 0.000) 4.487 5.607 ( -0.089 4.802 0.000) 4.803 5.740 ( -2.232 4.076 0.000) 4.647 5.741 ( -1.638 2.545 0.000) 3.027 5.937 ( 5.471 -2.961 0.000) 6.221 6.018 ( -2.536 -0.713 0.000) 2.634 6.467 ( 0.753 2.608 0.000) 2.715 6.483 ( -0.952 1.675 0.000) 1.926 6.689 ( 2.429 -0.375 0.000) 2.458 6.733 ( -2.319 -1.675 0.000) 2.860 6.915 ( -0.881 -0.724 0.000) 1.141 6.939 ( -3.674 -1.955 0.000) 4.162 7.037 ( 3.152 -1.142 0.000) 3.353 7.095 ( -2.632 0.695 0.000) 2.722 7.331 ( 4.685 0.293 0.000) 4.694 7.357 ( 0.538 -1.685 0.000) 1.769 7.415 ( 5.465 -1.737 0.000) 5.734 7.539 ( -5.975 -0.691 0.000) 6.015 7.880 ( 7.069 -1.267 0.000) 7.182 7.910 ( 3.415 -2.065 0.000) 3.991 8.018 ( -4.396 -1.819 0.000) 4.757 8.024 ( -5.109 -3.082 0.000) 5.967 8.136 ( 3.376 2.060 0.000) 3.955 8.236 ( -6.502 5.526 0.000) 8.533 8.247 ( 6.517 2.428 0.000) 6.954 8.381 ( -7.524 3.171 0.000) 8.164 8.826 ( 0.871 -0.612 0.000) 1.065 8.831 ( 0.204 -1.030 0.000) 1.050 9.117 ( 5.830 -2.094 0.000) 6.195 9.190 ( -1.330 -3.459 0.000) 3.706 9.354 ( 0.984 2.513 0.000) 2.699 9.386 ( -2.146 1.229 0.000) 2.473 9.651 ( 3.906 -3.382 0.000) 5.167 9.747 ( -5.592 -4.261 0.000) 7.030 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 4.175 0.000) 4.175 2.148 ( 0.000 6.091 0.000) 6.091 2.277 ( 0.000 -2.878 0.000) 2.878 2.281 ( 0.000 12.570 0.000) 12.570 2.307 ( 0.000 10.382 0.000) 10.382 2.500 ( 0.000 3.126 0.000) 3.126 2.683 ( 0.000 -5.159 0.000) 5.159 2.700 ( 0.000 1.535 0.000) 1.535 2.801 ( 0.000 6.040 0.000) 6.040 2.852 ( 0.000 2.370 0.000) 2.370 2.912 ( 0.000 1.879 0.000) 1.879 2.966 ( 0.000 -1.749 0.000) 1.749 3.074 ( 0.000 -3.217 0.000) 3.217 3.136 ( 0.000 9.387 0.000) 9.387 3.255 ( 0.000 -2.451 0.000) 2.451 3.510 ( 0.000 -1.444 0.000) 1.444 3.588 ( 0.000 -6.112 0.000) 6.112 3.636 ( 0.000 -10.926 0.000) 10.926 3.961 ( 0.000 12.711 0.000) 12.711 4.159 ( 0.000 4.790 0.000) 4.790 4.211 ( 0.000 24.371 0.000) 24.371 4.275 ( 0.000 3.611 0.000) 3.611 4.284 ( 0.000 2.433 0.000) 2.433 4.494 ( 0.000 14.240 0.000) 14.240 5.588 ( 0.000 3.293 0.000) 3.293 5.596 ( 0.000 7.603 0.000) 7.603 5.652 ( 0.000 1.841 0.000) 1.841 5.678 ( 0.000 4.429 0.000) 4.429 5.714 ( 0.000 -1.130 0.000) 1.130 5.779 ( 0.000 -1.799 0.000) 1.799 5.975 ( 0.000 0.291 0.000) 0.291 6.006 ( 0.000 2.017 0.000) 2.017 6.533 ( 0.000 1.693 0.000) 1.693 6.541 ( 0.000 3.832 0.000) 3.832 6.672 ( 0.000 2.363 0.000) 2.363 6.721 ( 0.000 -2.353 0.000) 2.353 6.975 ( 0.000 1.304 0.000) 1.304 7.051 ( 0.000 0.096 0.000) 0.096 7.128 ( 0.000 -4.539 0.000) 4.539 7.136 ( 0.000 1.781 0.000) 1.781 7.163 ( 0.000 -4.201 0.000) 4.201 7.239 ( 0.000 7.502 0.000) 7.502 7.260 ( 0.000 -1.446 0.000) 1.446 7.631 ( 0.000 3.382 0.000) 3.382 7.674 ( 0.000 -5.452 0.000) 5.452 7.815 ( 0.000 -0.905 0.000) 0.905 7.916 ( 0.000 -6.517 0.000) 6.517 8.045 ( 0.000 -4.889 0.000) 4.889 8.145 ( 0.000 -0.890 0.000) 0.890 8.164 ( 0.000 1.085 0.000) 1.085 8.542 ( 0.000 6.197 0.000) 6.197 8.681 ( 0.000 0.742 0.000) 0.742 8.778 ( 0.000 1.301 0.000) 1.301 8.806 ( 0.000 0.235 0.000) 0.235 8.860 ( 0.000 -2.593 0.000) 2.593 9.018 ( 0.000 -6.072 0.000) 6.072 9.430 ( 0.000 4.167 0.000) 4.167 9.487 ( 0.000 3.891 0.000) 3.891 9.582 ( 0.000 -1.534 0.000) 1.534 9.786 ( 0.000 -4.686 0.000) 4.686 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.286 6.020 0.000) 6.027 2.155 ( 0.152 4.251 0.000) 4.254 2.271 ( 3.324 4.246 0.000) 5.392 2.324 ( 1.528 8.860 0.000) 8.991 2.385 ( 6.274 6.137 0.000) 8.777 2.554 ( 5.957 2.783 0.000) 6.575 2.677 ( -0.488 -3.626 0.000) 3.659 2.715 ( 1.249 1.525 0.000) 1.972 2.767 ( -2.815 6.393 0.000) 6.986 2.816 ( -3.073 3.351 0.000) 4.547 2.935 ( 1.952 0.813 0.000) 2.114 3.012 ( 2.554 0.885 0.000) 2.703 3.025 ( -3.346 -1.520 0.000) 3.675 3.096 ( -2.607 5.716 0.000) 6.283 3.359 ( 8.377 -6.914 0.000) 10.862 3.465 ( -2.722 -0.009 0.000) 2.722 3.503 ( -8.011 -5.576 0.000) 9.761 3.674 ( 3.166 -7.627 0.000) 8.258 3.918 ( -3.965 7.821 0.000) 8.769 4.123 ( -9.591 -0.661 0.000) 9.614 4.232 ( 2.030 22.734 0.000) 22.824 4.235 ( 4.870 8.929 0.000) 10.171 4.339 ( 1.426 7.531 0.000) 7.664 4.483 ( -1.245 13.803 0.000) 13.859 5.597 ( 0.937 3.976 0.000) 4.085 5.606 ( 0.900 7.483 0.000) 7.537 5.652 ( 0.517 2.937 0.000) 2.983 5.687 ( 0.884 4.499 0.000) 4.585 5.759 ( 3.635 -2.092 0.000) 4.194 5.787 ( 1.146 -1.034 0.000) 1.543 5.904 ( -5.053 2.824 0.000) 5.789 6.019 ( -0.743 -1.647 0.000) 1.807 6.529 ( -0.823 3.369 0.000) 3.468 6.529 ( -0.155 2.338 0.000) 2.343 6.680 ( 0.533 1.587 0.000) 1.674 6.714 ( -0.887 -2.889 0.000) 3.022 6.965 ( -1.511 1.065 0.000) 1.849 7.007 ( -1.707 1.082 0.000) 2.021 7.017 ( -6.978 -1.413 0.000) 7.120 7.151 ( -2.547 -2.372 0.000) 3.480 7.216 ( 6.638 0.935 0.000) 6.703 7.297 ( 3.714 2.587 0.000) 4.526 7.312 ( 4.214 -1.179 0.000) 4.376 7.612 ( -4.256 -2.473 0.000) 4.922 7.710 ( 6.176 -0.491 0.000) 6.196 7.817 ( 0.549 -1.468 0.000) 1.568 7.959 ( 1.942 -6.674 0.000) 6.951 8.020 ( -2.709 -5.033 0.000) 5.716 8.131 ( 0.008 1.113 0.000) 1.113 8.190 ( 3.042 1.069 0.000) 3.225 8.479 ( -6.096 5.303 0.000) 8.080 8.580 ( -7.422 1.650 0.000) 7.603 8.808 ( 2.070 1.180 0.000) 2.383 8.817 ( 1.033 0.745 0.000) 1.274 8.948 ( 6.605 -2.490 0.000) 7.059 9.055 ( 3.209 -6.056 0.000) 6.854 9.424 ( -0.507 3.949 0.000) 3.981 9.469 ( -1.671 3.704 0.000) 4.063 9.578 ( -0.186 -1.646 0.000) 1.657 9.751 ( -3.487 -4.526 0.000) 5.713 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.107 5.654 0.000) 5.655 2.147 ( -0.498 5.200 0.000) 5.224 2.344 ( 2.364 1.011 0.000) 2.571 2.351 ( 0.981 4.924 0.000) 5.021 2.510 ( 7.725 10.243 0.000) 12.829 2.646 ( -4.697 1.190 0.000) 4.845 2.684 ( 5.003 3.917 0.000) 6.354 2.710 ( -0.907 9.928 0.000) 9.969 2.744 ( 0.742 0.938 0.000) 1.196 2.759 ( -2.184 2.966 0.000) 3.683 2.969 ( -0.520 -1.384 0.000) 1.479 2.983 ( -2.573 3.061 0.000) 3.999 3.010 ( 5.002 0.485 0.000) 5.026 3.103 ( -0.833 -1.081 0.000) 1.365 3.348 ( -5.455 -6.362 0.000) 8.381 3.356 ( -3.945 -7.331 0.000) 8.325 3.616 ( 13.994 -1.120 0.000) 14.038 3.743 ( 4.193 -2.709 0.000) 4.992 3.828 ( -5.214 2.016 0.000) 5.591 3.893 ( -13.852 -1.550 0.000) 13.938 4.278 ( 2.555 18.617 0.000) 18.792 4.310 ( 0.346 13.300 0.000) 13.305 4.369 ( 3.636 11.323 0.000) 11.892 4.442 ( -3.165 12.748 0.000) 13.135 5.616 ( 0.761 5.522 0.000) 5.574 5.620 ( 0.369 6.841 0.000) 6.851 5.680 ( 2.233 4.204 0.000) 4.760 5.703 ( 0.345 4.648 0.000) 4.661 5.781 ( 0.135 1.373 0.000) 1.380 5.813 ( -3.877 2.988 0.000) 4.895 5.868 ( 5.716 -3.745 0.000) 6.833 5.968 ( -4.417 -3.813 0.000) 5.835 6.525 ( 0.365 2.808 0.000) 2.832 6.530 ( 0.036 2.811 0.000) 2.812 6.682 ( -0.256 -0.651 0.000) 0.700 6.690 ( -1.266 -2.678 0.000) 2.962 6.926 ( -2.154 0.667 0.000) 2.254 6.926 ( -1.602 1.647 0.000) 2.298 7.018 ( 2.321 -0.652 0.000) 2.411 7.082 ( -4.076 -2.130 0.000) 4.599 7.350 ( 5.040 1.265 0.000) 5.196 7.354 ( 2.126 1.494 0.000) 2.598 7.383 ( 4.557 -1.302 0.000) 4.740 7.512 ( -6.493 -1.840 0.000) 6.749 7.835 ( 6.342 -2.792 0.000) 6.929 7.851 ( 3.201 -3.097 0.000) 4.454 7.930 ( -4.037 -5.395 0.000) 6.738 7.946 ( -4.961 -4.869 0.000) 6.951 8.192 ( 6.240 3.352 0.000) 7.083 8.291 ( 7.157 1.434 0.000) 7.299 8.336 ( -8.290 4.495 0.000) 9.430 8.436 ( -7.758 1.877 0.000) 7.982 8.838 ( 0.860 1.693 0.000) 1.899 8.838 ( 0.891 1.907 0.000) 2.105 9.059 ( 4.475 -3.657 0.000) 5.779 9.099 ( 0.475 -5.288 0.000) 5.310 9.418 ( 0.147 3.525 0.000) 3.528 9.435 ( -1.571 3.402 0.000) 3.747 9.594 ( 2.389 -2.489 0.000) 3.450 9.667 ( -4.806 -3.834 0.000) 6.148 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.000 1.805 0.000) 1.805 2.231 ( 0.000 -1.822 0.000) 1.822 2.272 ( 0.000 6.422 0.000) 6.422 2.387 ( 0.000 -3.315 0.000) 3.315 2.476 ( 0.000 6.366 0.000) 6.366 2.535 ( 0.000 -0.021 0.000) 0.021 2.627 ( 0.000 1.916 0.000) 1.916 2.688 ( 0.000 -2.449 0.000) 2.449 2.897 ( 0.000 1.963 0.000) 1.963 2.901 ( 0.000 3.656 0.000) 3.656 2.925 ( 0.000 -0.544 0.000) 0.544 2.947 ( 0.000 -1.183 0.000) 1.183 3.057 ( 0.000 2.144 0.000) 2.144 3.152 ( 0.000 -6.456 0.000) 6.456 3.313 ( 0.000 8.108 0.000) 8.108 3.460 ( 0.000 -6.761 0.000) 6.761 3.489 ( 0.000 -0.488 0.000) 0.488 3.505 ( 0.000 -2.716 0.000) 2.716 4.164 ( 0.000 7.098 0.000) 7.098 4.225 ( 0.000 1.014 0.000) 1.014 4.310 ( 0.000 0.268 0.000) 0.268 4.311 ( 0.000 0.312 0.000) 0.312 4.574 ( 0.000 11.506 0.000) 11.506 4.665 ( 0.000 2.322 0.000) 2.322 5.643 ( 0.000 2.449 0.000) 2.449 5.672 ( 0.000 -0.010 0.000) 0.010 5.709 ( 0.000 0.307 0.000) 0.307 5.720 ( 0.000 4.327 0.000) 4.327 5.733 ( 0.000 -2.255 0.000) 2.255 5.748 ( 0.000 1.683 0.000) 1.683 5.976 ( 0.000 0.325 0.000) 0.325 6.001 ( 0.000 -1.712 0.000) 1.712 6.603 ( 0.000 4.674 0.000) 4.674 6.612 ( 0.000 3.253 0.000) 3.253 6.671 ( 0.000 -2.674 0.000) 2.674 6.680 ( 0.000 -2.015 0.000) 2.015 7.008 ( 0.000 1.814 0.000) 1.814 7.040 ( 0.000 -1.168 0.000) 1.168 7.066 ( 0.000 -1.057 0.000) 1.057 7.088 ( 0.000 -2.803 0.000) 2.803 7.181 ( 0.000 2.393 0.000) 2.393 7.225 ( 0.000 -1.989 0.000) 1.989 7.398 ( 0.000 7.905 0.000) 7.905 7.548 ( 0.000 -6.985 0.000) 6.985 7.697 ( 0.000 3.686 0.000) 3.686 7.790 ( 0.000 -5.639 0.000) 5.639 7.837 ( 0.000 3.160 0.000) 3.160 7.932 ( 0.000 -5.810 0.000) 5.810 8.151 ( 0.000 1.005 0.000) 1.005 8.169 ( 0.000 -0.524 0.000) 0.524 8.638 ( 0.000 3.460 0.000) 3.460 8.681 ( 0.000 -0.901 0.000) 0.901 8.798 ( 0.000 0.820 0.000) 0.820 8.819 ( 0.000 -1.471 0.000) 1.471 8.833 ( 0.000 2.560 0.000) 2.560 8.908 ( 0.000 -4.748 0.000) 4.748 9.501 ( 0.000 2.915 0.000) 2.915 9.549 ( 0.000 -1.927 0.000) 1.927 9.581 ( 0.000 5.230 0.000) 5.230 9.687 ( 0.000 -5.173 0.000) 5.173 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 1.580 2.574 0.000) 3.020 2.262 ( -0.855 6.038 0.000) 6.098 2.265 ( 2.880 -1.896 0.000) 3.449 2.375 ( -1.231 -3.878 0.000) 4.069 2.533 ( 6.053 5.585 0.000) 8.236 2.586 ( 5.479 -0.033 0.000) 5.480 2.644 ( 1.702 2.467 0.000) 2.997 2.704 ( 1.594 -2.282 0.000) 2.784 2.877 ( -1.774 2.629 0.000) 3.171 2.900 ( 0.308 5.708 0.000) 5.717 2.921 ( -0.406 -1.781 0.000) 1.827 2.987 ( 3.357 -2.952 0.000) 4.470 3.049 ( -0.514 3.988 0.000) 4.021 3.178 ( 1.447 -8.665 0.000) 8.785 3.242 ( -6.998 7.532 0.000) 10.281 3.382 ( -7.700 -6.470 0.000) 10.058 3.501 ( 3.347 2.560 0.000) 4.214 3.565 ( 5.015 -3.980 0.000) 6.402 4.038 ( -8.892 4.290 0.000) 9.872 4.098 ( -10.705 -1.938 0.000) 10.879 4.385 ( 7.265 5.323 0.000) 9.006 4.429 ( 5.742 1.168 0.000) 5.859 4.570 ( -0.433 10.686 0.000) 10.694 4.652 ( -1.456 2.498 0.000) 2.891 5.664 ( 2.063 2.838 0.000) 3.509 5.701 ( 2.671 0.921 0.000) 2.825 5.723 ( 1.848 -0.596 0.000) 1.942 5.730 ( 0.876 4.480 0.000) 4.565 5.756 ( 2.005 -2.009 0.000) 2.838 5.759 ( 1.033 1.800 0.000) 2.076 5.935 ( -3.840 0.811 0.000) 3.925 5.969 ( -3.323 -2.711 0.000) 4.289 6.593 ( -1.518 3.056 0.000) 3.413 6.602 ( -0.252 4.440 0.000) 4.448 6.654 ( -1.561 -3.073 0.000) 3.446 6.677 ( -0.578 -2.262 0.000) 2.335 6.995 ( -1.219 1.668 0.000) 2.066 7.014 ( -3.873 1.438 0.000) 4.132 7.018 ( -1.450 -0.309 0.000) 1.483 7.072 ( -2.170 -4.018 0.000) 4.566 7.243 ( 5.759 1.824 0.000) 6.041 7.282 ( 4.932 -1.820 0.000) 5.257 7.396 ( 0.259 5.975 0.000) 5.980 7.517 ( -2.288 -5.889 0.000) 6.317 7.742 ( 3.496 3.209 0.000) 4.745 7.825 ( -1.044 2.408 0.000) 2.625 7.832 ( 2.297 -5.655 0.000) 6.104 7.908 ( -2.372 -5.447 0.000) 5.941 8.164 ( 2.223 1.884 0.000) 2.914 8.193 ( 3.060 -0.792 0.000) 3.161 8.560 ( -6.791 2.801 0.000) 7.346 8.592 ( -6.942 -0.465 0.000) 6.957 8.844 ( 3.514 2.322 0.000) 4.212 8.856 ( 2.123 3.184 0.000) 3.826 8.895 ( 5.309 -2.714 0.000) 5.962 8.941 ( 2.978 -5.147 0.000) 5.946 9.493 ( -0.666 2.923 0.000) 2.998 9.542 ( -0.484 -2.017 0.000) 2.074 9.558 ( -2.239 4.895 0.000) 5.382 9.657 ( -2.944 -4.869 0.000) 5.690 ======================= Grid point 32 (21/63) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.447 4.104 0.000) 4.128 2.247 ( -0.638 5.176 0.000) 5.215 2.314 ( 2.060 -3.235 0.000) 3.835 2.347 ( -1.598 -4.172 0.000) 4.468 2.662 ( 5.129 4.922 0.000) 7.109 2.681 ( 1.694 3.222 0.000) 3.640 2.715 ( 5.441 -0.572 0.000) 5.471 2.737 ( 1.382 -1.733 0.000) 2.217 2.858 ( 1.124 5.433 0.000) 5.548 2.903 ( -0.924 8.324 0.000) 8.375 2.939 ( 3.845 -2.518 0.000) 4.596 3.040 ( -0.183 -5.185 0.000) 5.188 3.044 ( 0.382 3.957 0.000) 3.976 3.085 ( -7.099 6.197 0.000) 9.424 3.176 ( -1.206 -8.780 0.000) 8.862 3.214 ( -7.692 -6.655 0.000) 10.171 3.638 ( 10.619 2.326 0.000) 10.871 3.691 ( 8.201 -2.708 0.000) 8.636 3.856 ( -10.475 1.097 0.000) 10.532 3.875 ( -11.954 -0.723 0.000) 11.976 4.503 ( 4.304 5.615 0.000) 7.075 4.524 ( 4.917 3.598 0.000) 6.093 4.553 ( -1.526 8.429 0.000) 8.566 4.607 ( -3.399 3.075 0.000) 4.583 5.711 ( 2.491 4.194 0.000) 4.878 5.739 ( -0.296 4.884 0.000) 4.893 5.753 ( 2.799 2.748 0.000) 3.922 5.777 ( 0.484 1.897 0.000) 1.958 5.788 ( 3.763 -1.546 0.000) 4.068 5.795 ( 2.701 -2.715 0.000) 3.830 5.850 ( -4.545 0.785 0.000) 4.612 5.886 ( -5.067 -3.729 0.000) 6.291 6.577 ( 0.135 2.545 0.000) 2.548 6.591 ( -0.913 3.214 0.000) 3.341 6.632 ( -0.254 -2.940 0.000) 2.951 6.651 ( -1.883 -2.486 0.000) 3.119 6.963 ( -1.040 2.756 0.000) 2.945 6.969 ( -1.241 2.252 0.000) 2.571 7.004 ( 0.070 -1.098 0.000) 1.100 7.025 ( -2.147 -3.221 0.000) 3.871 7.366 ( 6.513 0.302 0.000) 6.520 7.371 ( 3.642 -0.023 0.000) 3.642 7.404 ( -0.047 3.106 0.000) 3.106 7.466 ( -3.712 -2.799 0.000) 4.649 7.797 ( 2.502 -0.234 0.000) 2.513 7.813 ( 0.172 -0.172 0.000) 0.243 7.834 ( -1.513 -3.724 0.000) 4.019 7.852 ( -3.232 -3.840 0.000) 5.019 8.257 ( 7.291 2.833 0.000) 7.822 8.296 ( 7.425 -0.948 0.000) 7.486 8.412 ( -8.467 2.902 0.000) 8.950 8.448 ( -8.132 -0.659 0.000) 8.159 8.896 ( 1.497 3.986 0.000) 4.257 8.896 ( 1.575 3.673 0.000) 3.996 8.978 ( 2.854 -4.263 0.000) 5.130 8.990 ( 1.469 -5.301 0.000) 5.501 9.487 ( 0.272 3.179 0.000) 3.190 9.511 ( -2.248 4.005 0.000) 4.593 9.544 ( 1.128 -2.617 0.000) 2.850 9.591 ( -3.505 -3.890 0.000) 5.236 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 0.000 28.157) 28.157 0.559 ( 0.000 0.000 28.252) 28.252 0.814 ( 0.000 0.000 41.120) 41.120 1.720 ( 0.000 0.000 6.329) 6.329 1.932 ( 0.000 0.000 -14.384) 14.384 2.036 ( 0.000 0.000 3.542) 3.542 2.076 ( 0.000 0.000 3.137) 3.137 2.094 ( 0.000 0.000 -22.440) 22.440 2.226 ( 0.000 0.000 -4.495) 4.495 2.380 ( 0.000 0.000 -1.165) 1.165 2.444 ( 0.000 0.000 2.231) 2.231 2.447 ( 0.000 0.000 -1.527) 1.527 2.478 ( 0.000 0.000 -2.265) 2.265 2.718 ( 0.000 0.000 2.557) 2.557 2.855 ( 0.000 0.000 -1.034) 1.034 2.923 ( 0.000 0.000 13.308) 13.308 2.950 ( 0.000 0.000 -22.376) 22.376 3.465 ( 0.000 0.000 -7.388) 7.388 3.623 ( 0.000 0.000 1.220) 1.220 3.791 ( 0.000 0.000 -5.253) 5.253 3.982 ( 0.000 0.000 3.076) 3.076 4.024 ( 0.000 0.000 16.770) 16.770 4.197 ( 0.000 0.000 -0.610) 0.610 4.749 ( 0.000 0.000 -4.102) 4.102 4.911 ( 0.000 0.000 3.537) 3.537 5.015 ( 0.000 0.000 2.753) 2.753 5.191 ( 0.000 0.000 -2.868) 2.868 5.270 ( 0.000 0.000 -3.494) 3.494 5.417 ( 0.000 0.000 2.165) 2.165 5.508 ( 0.000 0.000 -0.500) 0.500 6.119 ( 0.000 0.000 1.692) 1.692 6.453 ( 0.000 0.000 -0.048) 0.048 6.458 ( 0.000 0.000 7.029) 7.029 6.550 ( 0.000 0.000 2.452) 2.452 6.858 ( 0.000 0.000 -6.490) 6.490 6.960 ( 0.000 0.000 -1.149) 1.149 6.992 ( 0.000 0.000 -0.565) 0.565 7.062 ( 0.000 0.000 0.826) 0.826 7.108 ( 0.000 0.000 -0.272) 0.272 7.229 ( 0.000 0.000 -9.433) 9.433 7.302 ( 0.000 0.000 1.438) 1.438 7.429 ( 0.000 0.000 -1.847) 1.847 7.466 ( 0.000 0.000 2.347) 2.347 7.477 ( 0.000 0.000 -0.675) 0.675 7.538 ( 0.000 0.000 0.730) 0.730 7.573 ( 0.000 0.000 -0.184) 0.184 7.878 ( 0.000 0.000 2.690) 2.690 7.889 ( 0.000 0.000 0.037) 0.037 7.926 ( 0.000 0.000 -0.692) 0.692 8.065 ( 0.000 0.000 5.967) 5.967 8.162 ( 0.000 0.000 -4.802) 4.802 8.271 ( 0.000 0.000 -3.522) 3.522 8.505 ( 0.000 0.000 1.296) 1.296 8.510 ( 0.000 0.000 4.566) 4.566 9.279 ( 0.000 0.000 1.326) 1.326 9.319 ( 0.000 0.000 0.260) 0.260 9.525 ( 0.000 0.000 0.948) 0.948 9.768 ( 0.000 0.000 -3.573) 3.573 9.770 ( 0.000 0.000 4.830) 4.830 10.069 ( 0.000 0.000 -2.889) 2.889 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 15.782 0.000 17.057) 23.238 0.753 ( 17.625 0.000 20.373) 26.939 1.255 ( 33.180 0.000 24.706) 41.367 1.718 ( -7.989 0.000 2.175) 8.280 1.832 ( -1.958 0.000 4.791) 5.176 1.871 ( -14.152 0.000 4.289) 14.787 1.983 ( 1.529 0.000 -13.825) 13.909 2.046 ( -5.706 0.000 -21.232) 21.986 2.302 ( -6.115 0.000 -3.853) 7.227 2.428 ( -2.251 0.000 -0.072) 2.252 2.506 ( 15.590 0.000 -1.623) 15.674 2.517 ( 4.597 0.000 1.655) 4.886 2.549 ( 8.064 0.000 0.435) 8.075 2.702 ( -1.566 0.000 2.906) 3.301 2.752 ( -8.947 0.000 4.952) 10.226 2.842 ( -1.496 0.000 -0.999) 1.799 3.132 ( 11.179 0.000 -14.911) 18.636 3.385 ( -17.175 0.000 2.319) 17.331 3.424 ( -9.029 0.000 -4.855) 10.252 3.855 ( 5.781 0.000 -1.691) 6.023 3.916 ( -3.840 0.000 3.243) 5.027 4.087 ( 0.110 0.000 11.973) 11.973 4.241 ( 6.296 0.000 -1.429) 6.456 4.705 ( -4.567 0.000 -3.677) 5.863 4.921 ( 1.043 0.000 3.469) 3.622 5.005 ( -1.004 0.000 2.826) 2.998 5.200 ( 0.851 0.000 -2.900) 3.022 5.264 ( -0.698 0.000 -3.413) 3.484 5.455 ( 2.623 0.000 1.590) 3.067 5.564 ( 5.668 0.000 -0.916) 5.742 5.888 ( -14.382 0.000 11.518) 18.426 6.215 ( -15.649 0.000 7.783) 17.478 6.450 ( 1.947 0.000 3.283) 3.817 6.551 ( 3.547 0.000 2.669) 4.439 6.775 ( -3.617 0.000 -7.532) 8.355 6.873 ( -4.118 0.000 -5.312) 6.721 7.072 ( 0.948 0.000 0.751) 1.209 7.113 ( 0.347 0.000 -0.239) 0.422 7.223 ( 5.757 0.000 0.028) 5.757 7.263 ( 5.401 0.000 -1.969) 5.749 7.301 ( 0.099 0.000 1.249) 1.253 7.408 ( -2.144 0.000 -1.435) 2.580 7.487 ( 0.210 0.000 4.164) 4.169 7.541 ( 0.351 0.000 0.568) 0.668 7.571 ( -0.254 0.000 -0.189) 0.317 7.585 ( 8.038 0.000 -2.688) 8.475 7.871 ( -6.579 0.000 5.895) 8.833 7.896 ( 0.702 0.000 -0.066) 0.705 7.925 ( -0.067 0.000 -0.637) 0.640 8.072 ( -1.134 0.000 -4.575) 4.713 8.163 ( 1.054 0.000 -6.447) 6.532 8.259 ( -1.039 0.000 -4.637) 4.752 8.556 ( 7.748 0.000 -0.432) 7.760 8.675 ( 7.976 0.000 -2.618) 8.395 9.238 ( -1.331 0.000 0.472) 1.412 9.354 ( 0.921 0.000 -1.217) 1.526 9.490 ( -1.692 0.000 3.077) 3.512 9.735 ( -2.708 0.000 2.000) 3.367 9.860 ( 5.519 0.000 -0.294) 5.526 10.060 ( -1.001 0.000 -2.589) 2.776 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 20.958 0.000 7.058) 22.114 1.134 ( 21.395 0.000 12.407) 24.732 1.404 ( -17.954 0.000 3.057) 18.212 1.532 ( -20.113 0.000 8.000) 21.645 1.777 ( 12.350 0.000 -5.133) 13.375 1.927 ( -6.240 0.000 -18.492) 19.516 2.062 ( 5.583 0.000 -12.142) 13.364 2.081 ( 25.964 0.000 11.450) 28.377 2.179 ( -6.594 0.000 -8.081) 10.430 2.415 ( -1.310 0.000 7.577) 7.689 2.483 ( -4.694 0.000 8.892) 10.055 2.593 ( 3.587 0.000 3.067) 4.719 2.649 ( -1.662 0.000 2.360) 2.887 2.702 ( 5.345 0.000 0.523) 5.370 2.787 ( -16.145 0.000 6.641) 17.458 2.794 ( -3.697 0.000 -0.742) 3.770 2.999 ( 4.948 0.000 3.852) 6.270 3.246 ( -12.213 0.000 -9.584) 15.524 3.423 ( 15.322 0.000 -15.725) 21.955 3.718 ( -14.574 0.000 -8.576) 16.910 3.994 ( 6.646 0.000 7.316) 9.884 4.081 ( -1.985 0.000 11.660) 11.827 4.398 ( 9.760 0.000 -3.097) 10.239 4.579 ( -8.567 0.000 -3.142) 9.125 4.947 ( 1.659 0.000 3.279) 3.674 4.979 ( -1.632 0.000 3.028) 3.440 5.221 ( 1.294 0.000 -3.021) 3.286 5.245 ( -1.201 0.000 -3.220) 3.437 5.515 ( 4.136 0.000 3.449) 5.385 5.607 ( -4.264 0.000 3.903) 5.780 5.795 ( 6.031 0.000 3.623) 7.036 5.971 ( -11.103 0.000 3.684) 11.698 6.508 ( 3.770 0.000 2.535) 4.543 6.569 ( -1.781 0.000 2.629) 3.175 6.734 ( 0.116 0.000 -9.544) 9.545 6.782 ( -4.441 0.000 -8.592) 9.671 7.094 ( 1.288 0.000 0.500) 1.382 7.113 ( -0.520 0.000 0.062) 0.523 7.315 ( 1.559 0.000 0.518) 1.643 7.345 ( 5.259 0.000 7.126) 8.857 7.358 ( -2.769 0.000 -0.529) 2.819 7.362 ( 4.259 0.000 2.687) 5.035 7.485 ( 1.678 0.000 3.286) 3.689 7.551 ( 0.630 0.000 0.229) 0.671 7.563 ( -0.572 0.000 -0.063) 0.576 7.611 ( -7.802 0.000 0.638) 7.828 7.837 ( 6.623 0.000 2.339) 7.024 7.911 ( 0.737 0.000 -0.282) 0.789 7.922 ( -0.363 0.000 -0.489) 0.609 7.981 ( -7.124 0.000 -0.769) 7.165 8.197 ( 2.027 0.000 -7.307) 7.583 8.233 ( -1.696 0.000 -6.105) 6.336 8.694 ( 5.672 0.000 -1.975) 6.006 8.750 ( 0.123 0.000 -2.190) 2.193 9.250 ( 2.476 0.000 -2.860) 3.783 9.317 ( -3.865 0.000 -5.145) 6.435 9.529 ( 5.214 0.000 7.782) 9.367 9.645 ( -6.226 0.000 5.850) 8.543 9.957 ( 4.571 0.000 -1.099) 4.701 10.027 ( -2.686 0.000 -1.815) 3.242 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 0.000 18.070 14.802) 23.359 0.765 ( 0.000 18.292 19.264) 26.565 1.330 ( 0.000 36.684 27.703) 45.969 1.736 ( 0.000 2.056 5.514) 5.884 1.854 ( 0.000 -3.763 -8.998) 9.753 2.102 ( 0.000 1.438 -19.828) 19.880 2.114 ( 0.000 5.406 4.674) 7.146 2.228 ( 0.000 11.857 -3.287) 12.304 2.233 ( 0.000 1.010 -4.200) 4.320 2.451 ( 0.000 6.255 -0.526) 6.277 2.497 ( 0.000 2.451 -2.545) 3.534 2.528 ( 0.000 8.381 3.819) 9.211 2.551 ( 0.000 8.982 -2.089) 9.222 2.777 ( 0.000 5.628 1.188) 5.752 2.870 ( 0.000 0.630 3.011) 3.077 2.948 ( 0.000 3.399 8.065) 8.752 3.016 ( 0.000 6.374 -18.866) 19.913 3.476 ( 0.000 1.283 -8.604) 8.699 3.663 ( 0.000 3.892 0.996) 4.017 3.747 ( 0.000 -3.939 -2.481) 4.655 3.982 ( 0.000 1.219 2.828) 3.079 4.011 ( 0.000 -1.372 15.972) 16.030 4.153 ( 0.000 -4.021 -0.375) 4.038 4.685 ( 0.000 -6.341 -3.984) 7.489 4.974 ( 0.000 5.949 2.979) 6.653 5.059 ( 0.000 4.309 3.971) 5.860 5.292 ( 0.000 4.088 -4.826) 6.325 5.408 ( 0.000 12.374 -9.047) 15.328 5.461 ( 0.000 4.328 1.262) 4.508 5.510 ( 0.000 0.546 -0.033) 0.547 6.045 ( 0.000 -6.796 5.952) 9.034 6.395 ( 0.000 -8.164 4.000) 9.092 6.453 ( 0.000 -0.317 5.917) 5.926 6.501 ( 0.000 -14.055 12.807) 19.015 6.507 ( 0.000 -1.069 -4.852) 4.969 6.843 ( 0.000 -1.072 -5.459) 5.563 6.946 ( 0.000 -2.366 -0.445) 2.408 7.091 ( 0.000 0.999 2.193) 2.410 7.151 ( 0.000 -3.396 -1.530) 3.724 7.194 ( 0.000 1.784 -2.353) 2.953 7.231 ( 0.000 -1.943 -2.242) 2.967 7.333 ( 0.000 -3.631 1.535) 3.942 7.473 ( 0.000 -2.216 3.421) 4.076 7.543 ( 0.000 1.086 0.071) 1.089 7.661 ( 0.000 10.982 -0.790) 11.010 7.694 ( 0.000 9.883 -0.980) 9.932 7.896 ( 0.000 -1.762 -0.136) 1.768 7.916 ( 0.000 2.390 -0.172) 2.396 7.964 ( 0.000 -0.617 6.334) 6.364 8.238 ( 0.000 4.886 -3.693) 6.125 8.279 ( 0.000 2.035 -3.102) 3.710 8.368 ( 0.000 6.482 -10.786) 12.584 8.552 ( 0.000 4.158 3.052) 5.158 8.591 ( 0.000 9.563 -4.270) 10.474 9.239 ( 0.000 -3.886 1.235) 4.078 9.301 ( 0.000 -1.351 -2.324) 2.688 9.484 ( 0.000 -3.830 1.123) 3.992 9.733 ( 0.000 -2.895 -3.836) 4.806 9.738 ( 0.000 -3.103 5.130) 5.996 10.049 ( 0.000 -1.940 -2.941) 3.523 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 14.459 15.596 9.786) 23.411 0.935 ( 15.089 15.570 15.595) 26.707 1.557 ( 17.926 23.929 16.315) 34.061 1.714 ( -7.485 1.442 -0.736) 7.658 1.821 ( 5.005 3.136 7.700) 9.704 1.956 ( -10.940 6.713 3.174) 13.222 2.066 ( -7.273 3.742 -14.012) 16.225 2.134 ( 2.042 9.614 -14.340) 17.385 2.399 ( -5.523 8.795 -3.688) 11.021 2.433 ( -1.798 1.056 -0.386) 2.121 2.476 ( 9.513 -0.294 -0.923) 9.562 2.589 ( 4.178 5.967 1.264) 7.393 2.620 ( 4.799 6.754 3.273) 8.909 2.763 ( 0.826 5.152 0.864) 5.289 2.820 ( -3.810 6.161 6.003) 9.408 2.886 ( -2.077 4.446 -1.178) 5.047 3.168 ( 10.314 3.564 -14.141) 17.861 3.413 ( -8.601 1.741 -7.813) 11.749 3.466 ( -16.272 5.460 4.110) 17.649 3.819 ( 6.546 -3.429 0.293) 7.395 3.907 ( -4.657 -0.658 2.535) 5.343 4.059 ( -0.265 -2.817 10.496) 10.870 4.210 ( 6.307 -2.612 -0.929) 6.889 4.642 ( -4.406 -6.157 -3.594) 8.380 4.984 ( 1.035 5.949 3.016) 6.749 5.054 ( -0.579 4.623 3.730) 5.968 5.287 ( -0.364 4.597 -4.457) 6.413 5.343 ( -3.073 7.703 -3.268) 8.914 5.497 ( 1.141 3.887 -0.076) 4.052 5.585 ( 6.420 2.711 -1.287) 7.087 5.866 ( -11.071 -1.489 9.540) 14.690 6.184 ( -13.159 -3.116 5.703) 14.676 6.443 ( 1.987 -0.429 2.073) 2.904 6.518 ( 3.918 -2.974 3.561) 6.072 6.680 ( 1.783 -7.176 -7.360) 10.432 6.835 ( -3.318 -2.228 -5.458) 6.765 7.036 ( 7.589 -5.275 1.680) 9.394 7.100 ( 1.244 0.663 1.431) 2.009 7.190 ( 3.838 -0.920 -2.144) 4.491 7.218 ( 0.694 -3.460 4.564) 5.769 7.251 ( 4.826 -0.472 -0.681) 4.896 7.390 ( 3.016 -1.597 -2.182) 4.051 7.438 ( -2.140 -3.331 4.525) 6.013 7.574 ( 1.866 1.969 -0.794) 2.827 7.666 ( 1.562 7.103 -1.247) 7.379 7.694 ( -0.257 9.750 -1.287) 9.838 7.813 ( -6.112 -3.225 3.321) 7.667 7.914 ( -0.321 1.739 -0.718) 1.908 7.965 ( -0.875 3.235 3.411) 4.781 8.179 ( -8.533 4.021 -2.837) 9.851 8.234 ( -1.333 2.134 -3.930) 4.666 8.289 ( -2.079 4.168 -4.487) 6.468 8.661 ( 5.955 7.546 -3.899) 10.374 8.704 ( 8.538 3.072 -1.550) 9.205 9.199 ( -1.999 -3.648 -0.569) 4.198 9.320 ( 0.178 -2.836 -2.138) 3.556 9.458 ( -0.976 -2.926 3.288) 4.508 9.706 ( -2.811 -2.766 3.077) 5.002 9.811 ( 5.542 -4.219 -0.574) 6.989 10.036 ( -1.419 -2.318 -2.707) 3.836 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 18.031 10.058 5.746) 21.431 1.263 ( 18.545 11.851 10.829) 24.528 1.454 ( -15.100 5.096 3.119) 16.239 1.613 ( -17.323 7.842 7.346) 20.385 1.835 ( 6.243 4.990 -6.112) 10.061 1.941 ( -5.346 2.499 -15.710) 16.782 2.165 ( 9.543 10.214 -4.945) 14.827 2.253 ( 15.019 12.921 0.306) 19.814 2.285 ( -3.146 9.893 -5.607) 11.799 2.421 ( 3.086 1.202 8.235) 8.876 2.486 ( -1.847 2.219 6.579) 7.185 2.673 ( 3.346 6.742 4.483) 8.761 2.694 ( 2.018 3.946 0.989) 4.541 2.773 ( -0.758 7.662 2.794) 8.191 2.830 ( -4.354 4.974 -0.883) 6.669 2.877 ( -9.122 6.764 1.825) 11.502 3.044 ( -0.988 4.869 6.401) 8.103 3.255 ( -11.189 0.731 -8.681) 14.180 3.444 ( 13.392 2.358 -13.486) 19.152 3.713 ( -13.703 -0.363 -7.338) 15.548 3.962 ( 6.899 -3.097 6.959) 10.276 4.053 ( -2.140 -2.694 10.800) 11.335 4.354 ( 8.911 -4.224 -3.123) 10.344 4.522 ( -8.094 -5.565 -3.100) 10.300 5.010 ( 1.523 5.812 3.101) 6.761 5.037 ( -1.230 5.314 3.316) 6.383 5.287 ( 0.415 5.041 -3.411) 6.101 5.303 ( -1.353 5.542 -2.756) 6.336 5.536 ( 3.336 2.172 2.923) 4.939 5.619 ( -4.321 1.268 3.895) 5.954 5.809 ( 6.016 1.673 2.197) 6.620 5.969 ( -9.880 -0.134 2.622) 10.223 6.493 ( 3.036 -1.262 1.644) 3.676 6.541 ( -1.366 -2.625 2.183) 3.677 6.698 ( 1.706 -2.667 -8.881) 9.429 6.755 ( -4.100 -1.975 -7.540) 8.807 7.108 ( 1.682 0.383 2.143) 2.751 7.126 ( 0.113 0.544 1.643) 1.735 7.258 ( 3.076 -6.364 6.360) 9.509 7.288 ( 3.568 -4.190 1.527) 5.711 7.314 ( 1.720 -0.404 2.165) 2.794 7.386 ( -2.872 1.852 -2.126) 4.024 7.454 ( 5.169 -1.440 2.999) 6.147 7.577 ( -4.194 -0.586 -0.199) 4.240 7.665 ( -1.250 5.706 -0.583) 5.871 7.679 ( -1.205 8.608 -1.455) 8.813 7.799 ( 6.218 -2.061 -0.830) 6.603 7.898 ( -2.029 -0.847 -1.920) 2.919 7.951 ( 0.075 3.544 2.702) 4.457 8.012 ( -7.487 2.384 1.029) 7.925 8.235 ( 0.847 2.338 -4.895) 5.491 8.258 ( -1.479 2.340 -4.780) 5.524 8.763 ( 4.258 5.323 -1.758) 7.040 8.799 ( 1.190 4.508 -1.454) 4.884 9.202 ( 2.488 -4.459 -3.567) 6.229 9.274 ( -4.209 -3.894 -5.633) 8.038 9.504 ( 5.225 -2.262 7.849) 9.697 9.618 ( -6.024 -2.512 6.288) 9.063 9.915 ( 5.030 -3.950 -1.381) 6.543 9.993 ( -3.184 -3.166 -2.059) 4.939 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.000 25.296 2.613) 25.430 1.181 ( 0.000 21.897 10.803) 24.417 1.816 ( 0.000 5.509 1.454) 5.698 1.821 ( 0.000 1.095 -3.355) 3.529 2.072 ( 0.000 27.782 6.299) 28.487 2.188 ( 0.000 13.167 -6.984) 14.904 2.252 ( 0.000 8.050 3.227) 8.673 2.276 ( 0.000 4.674 -2.628) 5.363 2.431 ( 0.000 7.928 -2.489) 8.309 2.555 ( 0.000 4.909 -0.542) 4.939 2.621 ( 0.000 8.754 0.601) 8.775 2.739 ( 0.000 9.489 5.220) 10.829 2.749 ( 0.000 8.545 0.825) 8.585 2.887 ( 0.000 2.591 -0.046) 2.591 2.938 ( 0.000 10.232 -1.632) 10.361 3.064 ( 0.000 7.752 3.753) 8.612 3.206 ( 0.000 13.308 -11.265) 17.436 3.520 ( 0.000 2.895 -10.337) 10.735 3.650 ( 0.000 -5.225 1.821) 5.533 3.767 ( 0.000 6.055 0.300) 6.062 3.967 ( 0.000 -3.022 11.744) 12.127 4.033 ( 0.000 3.509 0.689) 3.576 4.064 ( 0.000 -3.701 1.548) 4.012 4.503 ( 0.000 -11.545 -3.240) 11.991 5.124 ( 0.000 8.387 2.420) 8.729 5.184 ( 0.000 8.067 5.393) 9.703 5.388 ( 0.000 5.386 -3.433) 6.387 5.510 ( 0.000 0.925 0.639) 1.124 5.581 ( 0.000 7.311 -0.505) 7.328 5.637 ( 0.000 8.833 -6.058) 10.711 5.929 ( 0.000 -3.667 4.361) 5.698 6.169 ( 0.000 -12.446 1.093) 12.494 6.394 ( 0.000 -0.608 6.018) 6.048 6.461 ( 0.000 1.097 1.649) 1.980 6.512 ( 0.000 0.619 -5.326) 5.362 6.827 ( 0.000 -0.794 -3.584) 3.671 6.919 ( 0.000 -0.089 -0.816) 0.820 7.070 ( 0.000 -3.238 0.780) 3.331 7.092 ( 0.000 -0.509 3.274) 3.313 7.155 ( 0.000 -3.320 -5.932) 6.798 7.276 ( 0.000 -2.368 1.773) 2.958 7.306 ( 0.000 5.831 2.036) 6.176 7.426 ( 0.000 -2.491 3.529) 4.319 7.561 ( 0.000 0.091 2.823) 2.824 7.847 ( 0.000 5.992 -3.878) 7.137 7.887 ( 0.000 7.100 -1.523) 7.262 7.889 ( 0.000 2.344 -1.246) 2.655 7.929 ( 0.000 -1.545 6.328) 6.513 7.973 ( 0.000 3.335 -2.569) 4.210 8.258 ( 0.000 -0.354 -0.378) 0.518 8.378 ( 0.000 -1.533 -1.330) 2.030 8.405 ( 0.000 7.408 -3.585) 8.230 8.668 ( 0.000 6.847 0.815) 6.895 8.708 ( 0.000 2.219 -0.125) 2.222 9.135 ( 0.000 -6.081 0.859) 6.142 9.270 ( 0.000 -1.991 -4.860) 5.252 9.392 ( 0.000 -4.751 1.795) 5.079 9.656 ( 0.000 -4.784 5.905) 7.600 9.667 ( 0.000 -3.384 -4.475) 5.610 9.996 ( 0.000 -3.226 -3.048) 4.438 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 8.231 22.377 2.768) 24.003 1.303 ( 11.591 19.979 9.325) 24.909 1.746 ( -6.189 4.428 -3.833) 8.521 1.836 ( 1.919 5.963 4.528) 7.729 2.105 ( -7.950 8.252 -6.073) 12.969 2.175 ( -7.628 7.659 -2.666) 11.134 2.217 ( 9.215 18.704 1.704) 20.921 2.329 ( 9.006 18.176 2.351) 20.420 2.461 ( 2.007 2.087 -1.038) 3.075 2.526 ( -0.351 5.993 0.075) 6.003 2.607 ( -4.871 8.789 -0.980) 10.097 2.711 ( 2.781 6.962 1.399) 7.626 2.829 ( 3.067 11.313 3.935) 12.364 2.881 ( 2.778 4.944 -0.179) 5.674 2.969 ( 1.987 10.069 -0.741) 10.290 3.032 ( -2.302 10.048 2.599) 10.631 3.278 ( 5.283 8.031 -10.730) 14.406 3.467 ( -4.664 4.047 -8.319) 10.361 3.633 ( -13.377 10.114 4.619) 17.395 3.734 ( 6.166 -4.102 1.349) 7.528 3.892 ( -6.426 -0.779 3.130) 7.190 3.979 ( 0.050 -4.740 6.831) 8.315 4.157 ( 4.071 -2.249 -0.555) 4.684 4.466 ( -3.813 -11.155 -3.017) 12.169 5.134 ( 1.023 8.405 2.507) 8.831 5.183 ( -0.206 8.048 4.866) 9.407 5.388 ( -0.020 5.399 -3.227) 6.290 5.467 ( -3.113 4.418 -0.426) 5.421 5.576 ( 0.166 4.317 -0.622) 4.364 5.687 ( 2.468 5.945 -1.306) 6.568 5.858 ( -4.308 1.154 2.787) 5.259 6.087 ( -6.696 -6.491 1.527) 9.450 6.435 ( 2.948 -0.961 1.876) 3.624 6.460 ( 0.891 -1.053 2.065) 2.484 6.588 ( 4.521 -1.943 -6.317) 8.007 6.797 ( -3.567 -1.605 -4.745) 6.149 6.973 ( 6.330 -1.108 1.138) 6.527 7.092 ( 1.186 -2.134 1.904) 3.097 7.112 ( 1.444 -2.998 4.724) 5.778 7.186 ( 2.791 -1.834 -1.015) 3.491 7.291 ( 3.202 1.105 -2.125) 3.999 7.356 ( -0.116 -1.503 0.889) 1.750 7.390 ( 1.663 0.244 5.401) 5.656 7.584 ( 0.021 -1.493 0.480) 1.568 7.796 ( -3.191 1.422 -0.994) 3.632 7.809 ( -3.478 5.685 -2.745) 7.208 7.890 ( -0.566 8.409 -2.877) 8.906 7.959 ( -1.234 3.219 -2.289) 4.138 8.005 ( 2.889 1.347 3.383) 4.648 8.210 ( -7.012 -0.342 -0.955) 7.085 8.279 ( -3.249 2.421 1.029) 4.180 8.377 ( -3.356 4.779 -1.963) 6.160 8.760 ( 4.762 1.831 -0.203) 5.106 8.783 ( 8.140 4.779 -0.682) 9.464 9.103 ( -2.384 -5.728 -2.113) 6.554 9.266 ( -1.421 -2.249 -4.571) 5.289 9.389 ( 0.761 -3.503 3.951) 5.334 9.632 ( -2.623 -4.338 5.434) 7.432 9.715 ( 4.539 -4.910 -2.431) 7.115 9.974 ( -2.329 -3.701 -2.916) 5.256 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 11.204 16.066 3.164) 19.840 1.557 ( 11.559 15.849 6.026) 20.522 1.609 ( -5.909 10.686 3.073) 12.592 1.822 ( -9.408 12.092 4.665) 16.015 1.956 ( -0.552 7.162 -2.946) 7.764 2.031 ( -6.050 6.244 -9.053) 12.552 2.349 ( 4.041 5.446 -8.035) 10.514 2.402 ( -2.931 4.332 -1.827) 5.541 2.492 ( -0.796 6.905 1.525) 7.116 2.524 ( -0.766 8.356 -2.346) 8.713 2.726 ( 19.267 20.634 8.738) 29.552 2.780 ( 5.252 5.289 -0.902) 7.508 2.858 ( 0.472 10.384 1.420) 10.492 2.959 ( 1.921 8.519 0.216) 8.736 2.988 ( -1.531 10.483 2.863) 10.975 3.046 ( 4.129 11.248 -1.680) 12.099 3.223 ( -14.468 11.973 6.184) 19.772 3.291 ( -10.138 5.131 -3.908) 12.016 3.525 ( 6.963 5.859 -6.570) 11.224 3.708 ( -10.659 -0.009 -3.565) 11.239 3.884 ( 7.343 -4.162 5.271) 9.951 3.985 ( -2.231 -3.703 7.625) 8.765 4.239 ( 5.780 -6.909 -3.126) 9.534 4.365 ( -6.567 -9.848 -2.810) 12.165 5.157 ( 1.195 8.312 2.823) 8.860 5.175 ( -0.683 8.098 3.683) 8.922 5.393 ( 0.767 5.341 -2.429) 5.917 5.419 ( -1.939 5.262 -1.423) 5.785 5.596 ( 2.149 3.484 1.980) 4.547 5.658 ( -4.032 2.560 3.670) 6.023 5.868 ( 4.268 3.972 -1.314) 5.976 5.966 ( -5.831 -0.259 0.038) 5.836 6.469 ( 1.199 -0.876 -0.002) 1.485 6.481 ( 0.260 -2.716 1.077) 2.934 6.658 ( 3.256 -1.269 -6.311) 7.214 6.723 ( -3.775 -1.135 -5.590) 6.840 7.092 ( 4.430 -1.580 2.924) 5.539 7.116 ( 0.934 -2.031 2.461) 3.325 7.133 ( 1.558 -5.417 6.792) 8.826 7.190 ( -2.782 -4.095 5.850) 7.663 7.350 ( 3.658 1.964 -0.948) 4.258 7.408 ( 2.972 -0.453 -5.148) 5.961 7.434 ( 2.586 -0.128 3.997) 4.763 7.538 ( -4.199 -2.516 -0.376) 4.910 7.757 ( 0.308 2.310 -3.792) 4.451 7.789 ( -0.681 1.889 -5.424) 5.784 7.875 ( 0.347 8.576 -2.911) 9.063 7.921 ( -2.997 4.517 -3.682) 6.553 8.028 ( 0.404 3.705 4.062) 5.513 8.070 ( -5.204 3.191 3.321) 6.949 8.272 ( 1.309 1.557 0.182) 2.043 8.313 ( -2.921 2.769 -0.907) 4.126 8.848 ( 4.004 2.006 0.319) 4.490 8.886 ( 1.210 3.052 0.425) 3.311 9.099 ( 3.156 -4.890 -6.048) 8.394 9.194 ( -5.453 -2.957 -6.946) 9.313 9.450 ( 5.155 -2.788 7.656) 9.641 9.555 ( -5.292 -3.515 6.920) 9.394 9.816 ( 5.536 -5.572 -2.133) 8.139 9.910 ( -4.309 -4.804 -2.523) 6.929 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 20.295 6.141) 21.204 1.615 ( 0.000 22.792 -0.064) 22.792 1.888 ( 0.000 5.707 -3.581) 6.737 1.953 ( 0.000 7.265 4.130) 8.357 2.238 ( 0.000 4.371 -11.099) 11.929 2.325 ( 0.000 3.212 -4.021) 5.146 2.421 ( 0.000 8.481 0.415) 8.491 2.569 ( 0.000 6.383 0.403) 6.396 2.612 ( 0.000 7.015 -0.730) 7.052 2.780 ( 0.000 3.273 3.701) 4.941 2.795 ( 0.000 9.841 5.863) 11.455 2.851 ( 0.000 2.621 4.447) 5.162 2.956 ( 0.000 21.352 -0.665) 21.362 3.013 ( 0.000 14.542 -1.459) 14.615 3.110 ( 0.000 5.724 -1.408) 5.894 3.242 ( 0.000 9.100 3.714) 9.829 3.538 ( 0.000 9.039 -7.404) 11.685 3.560 ( 0.000 7.130 -7.529) 10.370 3.574 ( 0.000 -0.902 5.931) 5.999 3.884 ( 0.000 5.167 -2.042) 5.555 3.919 ( 0.000 1.222 7.431) 7.531 4.060 ( 0.000 3.797 2.188) 4.382 4.107 ( 0.000 2.659 -1.458) 3.032 4.247 ( 0.000 -12.294 -0.473) 12.304 5.300 ( 0.000 9.224 3.900) 10.015 5.358 ( 0.000 8.525 3.756) 9.315 5.496 ( 0.000 5.024 -2.192) 5.481 5.541 ( 0.000 2.401 1.204) 2.686 5.735 ( 0.000 7.614 -2.206) 7.927 5.773 ( 0.000 4.365 -0.268) 4.374 5.897 ( 0.000 0.256 -1.648) 1.668 5.938 ( 0.000 -10.098 0.093) 10.099 6.410 ( 0.000 1.826 3.066) 3.568 6.500 ( 0.000 2.749 -1.738) 3.253 6.519 ( 0.000 0.082 -3.966) 3.967 6.792 ( 0.000 -2.755 -4.060) 4.907 6.957 ( 0.000 3.793 -0.328) 3.807 7.033 ( 0.000 -0.523 3.666) 3.704 7.087 ( 0.000 0.331 4.163) 4.176 7.095 ( 0.000 -2.464 -4.364) 5.012 7.234 ( 0.000 -1.819 0.186) 1.828 7.360 ( 0.000 -2.756 3.718) 4.628 7.432 ( 0.000 4.968 0.433) 4.986 7.528 ( 0.000 -3.400 7.843) 8.549 7.861 ( 0.000 -3.753 2.351) 4.429 7.897 ( 0.000 1.248 -9.147) 9.232 7.935 ( 0.000 -1.478 1.871) 2.384 7.979 ( 0.000 3.722 -2.919) 4.730 8.092 ( 0.000 5.205 -6.696) 8.481 8.246 ( 0.000 -0.747 1.650) 1.811 8.364 ( 0.000 1.285 4.211) 4.403 8.535 ( 0.000 5.255 -3.799) 6.485 8.732 ( 0.000 1.044 2.099) 2.344 8.790 ( 0.000 4.404 0.663) 4.454 9.015 ( 0.000 -5.434 0.329) 5.444 9.211 ( 0.000 -4.034 -4.285) 5.886 9.325 ( 0.000 -1.291 2.305) 2.641 9.564 ( 0.000 -3.896 6.625) 7.686 9.610 ( 0.000 -2.173 -4.370) 4.881 9.925 ( 0.000 -3.806 -3.077) 4.894 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 3.720 20.968 0.507) 21.301 1.700 ( 8.874 19.040 4.975) 21.588 1.867 ( -2.017 7.534 -2.796) 8.285 1.972 ( 2.598 7.264 4.821) 9.097 2.239 ( -4.200 5.226 -8.969) 11.198 2.347 ( 4.453 5.501 -6.232) 9.430 2.371 ( -6.503 9.356 2.486) 11.662 2.517 ( -0.647 3.759 -2.235) 4.421 2.613 ( -0.788 6.568 -1.357) 6.753 2.722 ( -5.540 4.847 3.874) 8.319 2.816 ( 0.687 5.937 0.554) 6.003 2.897 ( 5.984 3.412 1.812) 7.123 2.982 ( 2.740 12.015 -1.497) 12.414 3.060 ( 5.391 18.485 5.195) 19.944 3.187 ( 4.826 11.581 0.531) 12.557 3.234 ( -0.084 8.325 1.723) 8.502 3.485 ( -3.837 7.620 -2.971) 9.034 3.580 ( 1.657 7.856 -5.125) 9.525 3.650 ( 6.149 -1.129 1.162) 6.358 3.861 ( -4.716 7.548 5.374) 10.396 3.915 ( -2.654 2.601 3.199) 4.903 3.920 ( -6.718 5.781 -0.399) 8.871 4.120 ( -1.166 -2.205 -1.702) 3.020 4.222 ( -2.607 -11.421 -0.747) 11.739 5.309 ( 0.831 8.984 3.519) 9.684 5.354 ( -0.456 8.347 3.265) 8.974 5.494 ( -0.153 4.965 -1.860) 5.304 5.537 ( -0.597 3.285 0.960) 3.474 5.683 ( -2.673 5.967 -1.197) 6.647 5.769 ( -2.134 2.145 2.325) 3.815 5.908 ( 1.604 1.774 -3.387) 4.146 5.952 ( 0.867 -4.797 -0.949) 4.966 6.425 ( 1.399 0.679 2.557) 2.993 6.476 ( -0.857 1.601 -1.459) 2.330 6.575 ( 3.792 0.270 -4.102) 5.593 6.763 ( -2.774 -1.977 -4.526) 5.664 6.981 ( 2.743 1.481 1.230) 3.351 7.037 ( -0.115 -2.098 3.451) 4.040 7.080 ( 0.175 -0.901 4.102) 4.204 7.157 ( 3.558 -0.896 -0.723) 3.740 7.255 ( 1.971 -2.883 -1.110) 3.664 7.327 ( -0.595 -1.378 3.985) 4.259 7.449 ( 1.126 2.603 3.241) 4.307 7.536 ( -0.118 -1.892 0.264) 1.914 7.800 ( -3.490 -2.323 -2.510) 4.887 7.869 ( -2.444 1.075 -7.818) 8.262 7.983 ( 2.766 1.313 1.581) 3.446 8.033 ( 4.252 2.716 -0.301) 5.054 8.071 ( -1.762 4.585 -5.439) 7.328 8.212 ( -3.246 1.171 1.494) 3.761 8.319 ( -3.246 2.004 5.466) 6.666 8.466 ( -6.126 3.748 -0.685) 7.214 8.761 ( 3.613 -0.558 -0.687) 3.719 8.876 ( 5.201 3.271 2.554) 6.654 8.992 ( -0.866 -4.404 -3.880) 5.933 9.221 ( -0.227 -2.732 -4.364) 5.154 9.340 ( 1.891 -0.980 3.762) 4.323 9.545 ( -1.993 -3.901 6.703) 8.007 9.631 ( 2.489 -3.239 -3.450) 5.347 9.894 ( -3.157 -4.123 -2.974) 5.985 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 4.624 16.239 1.405) 16.943 1.812 ( -3.028 11.474 0.792) 11.893 1.906 ( 11.020 15.512 1.540) 19.090 2.047 ( 3.492 10.223 3.279) 11.290 2.120 ( -6.264 8.037 -4.981) 11.342 2.204 ( -8.386 11.877 2.982) 14.842 2.435 ( 2.665 4.315 -5.294) 7.332 2.484 ( -2.924 4.111 -1.584) 5.288 2.614 ( 1.369 5.359 -2.705) 6.157 2.656 ( -2.312 4.995 -2.481) 6.037 2.864 ( 4.817 2.085 -4.565) 6.956 2.942 ( -1.805 3.313 -2.536) 4.546 3.067 ( 5.245 4.768 2.991) 7.694 3.136 ( -1.080 6.459 4.145) 7.751 3.288 ( 5.827 9.611 0.715) 11.263 3.310 ( 11.618 24.275 5.136) 27.398 3.396 ( -5.308 8.661 -1.063) 10.213 3.571 ( -8.268 15.869 1.312) 17.941 3.691 ( -5.182 10.293 2.232) 11.738 3.720 ( -2.749 1.697 2.345) 3.992 3.836 ( 5.661 1.623 1.968) 6.209 3.939 ( -2.129 0.416 0.656) 2.266 4.093 ( 0.597 -7.020 -2.803) 7.583 4.154 ( -4.238 -9.664 -1.643) 10.679 5.327 ( 0.933 8.487 2.697) 8.953 5.342 ( -0.717 8.216 2.511) 8.621 5.496 ( 0.531 4.953 -1.005) 5.082 5.515 ( -1.381 4.702 -0.145) 4.903 5.669 ( 1.121 3.772 1.489) 4.207 5.713 ( -3.130 2.610 2.847) 4.972 5.941 ( 1.497 1.507 -3.307) 3.930 5.959 ( -0.280 0.587 -2.580) 2.661 6.452 ( 1.202 -0.003 1.223) 1.715 6.467 ( -0.390 0.788 -0.016) 0.880 6.644 ( 3.392 -0.196 -4.407) 5.565 6.705 ( -3.158 -0.842 -4.360) 5.449 7.025 ( 1.397 -4.139 5.550) 7.063 7.049 ( 0.079 -3.073 2.967) 4.272 7.084 ( 1.644 -1.217 3.375) 3.946 7.139 ( -3.056 -1.315 5.591) 6.506 7.364 ( 4.995 -0.334 1.313) 5.175 7.374 ( 6.957 -2.296 -4.265) 8.478 7.428 ( -2.836 -0.973 0.866) 3.121 7.510 ( -4.408 -0.454 -2.206) 4.951 7.762 ( 1.004 -1.056 -7.032) 7.181 7.819 ( -3.394 0.871 -8.560) 9.250 8.032 ( 1.832 6.741 -0.771) 7.028 8.042 ( -0.442 5.529 -2.918) 6.267 8.095 ( 1.908 2.728 4.122) 5.299 8.147 ( -3.316 4.992 3.140) 6.766 8.289 ( 0.947 -0.389 4.548) 4.662 8.352 ( -5.181 0.951 1.619) 5.511 8.833 ( 3.511 -2.134 -0.635) 4.157 8.889 ( -2.356 -2.552 1.366) 3.733 9.058 ( 6.293 0.953 -6.021) 8.762 9.170 ( -4.868 -0.208 -5.770) 7.552 9.404 ( 4.441 -1.627 6.362) 7.928 9.487 ( -4.018 -2.983 6.708) 8.369 9.708 ( 5.297 -4.863 -2.605) 7.647 9.812 ( -5.293 -4.805 -2.713) 7.646 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.000 14.623 2.507) 14.837 2.019 ( 0.000 17.224 -0.606) 17.234 2.038 ( 0.000 9.775 0.374) 9.782 2.085 ( 0.000 5.641 3.154) 6.463 2.291 ( 0.000 0.554 -4.752) 4.785 2.393 ( 0.000 3.925 -3.341) 5.155 2.578 ( 0.000 6.854 -1.760) 7.077 2.695 ( 0.000 6.157 1.829) 6.423 2.731 ( 0.000 3.739 1.796) 4.148 2.778 ( 0.000 -0.377 -5.389) 5.402 2.879 ( 0.000 0.930 3.795) 3.907 2.955 ( 0.000 6.220 -1.385) 6.373 3.044 ( 0.000 1.662 1.458) 2.211 3.160 ( 0.000 -0.867 2.206) 2.370 3.355 ( 0.000 2.270 7.860) 8.181 3.482 ( 0.000 -4.071 -5.579) 6.907 3.586 ( 0.000 15.936 -3.995) 16.429 3.679 ( 0.000 16.882 1.575) 16.956 3.691 ( 0.000 -1.248 -2.109) 2.450 3.969 ( 0.000 -7.376 4.156) 8.467 3.988 ( 0.000 6.291 -4.923) 7.988 4.124 ( 0.000 10.865 0.010) 10.865 4.209 ( 0.000 13.754 2.817) 14.040 4.237 ( 0.000 5.948 1.726) 6.193 5.482 ( 0.000 8.475 4.692) 9.687 5.502 ( 0.000 5.540 1.384) 5.710 5.574 ( 0.000 2.983 -1.239) 3.230 5.616 ( 0.000 4.671 1.193) 4.821 5.782 ( 0.000 -4.919 0.511) 4.946 5.800 ( 0.000 -1.039 0.422) 1.121 5.875 ( 0.000 5.987 -3.668) 7.021 5.935 ( 0.000 2.780 -2.559) 3.779 6.459 ( 0.000 2.951 0.421) 2.981 6.520 ( 0.000 0.283 -1.180) 1.214 6.565 ( 0.000 3.559 -2.793) 4.524 6.730 ( 0.000 -3.011 -4.445) 5.369 7.036 ( 0.000 2.470 0.144) 2.474 7.040 ( 0.000 0.897 6.143) 6.209 7.063 ( 0.000 -0.731 -3.046) 3.133 7.122 ( 0.000 4.073 3.590) 5.429 7.204 ( 0.000 -1.079 -0.658) 1.263 7.291 ( 0.000 -3.809 3.850) 5.416 7.438 ( 0.000 -5.224 8.666) 10.119 7.523 ( 0.000 3.920 -2.006) 4.403 7.775 ( 0.000 -4.780 0.023) 4.780 7.882 ( 0.000 -3.503 2.370) 4.229 7.895 ( 0.000 -1.542 -12.793) 12.885 8.009 ( 0.000 -1.140 -1.040) 1.543 8.136 ( 0.000 0.431 -3.989) 4.013 8.236 ( 0.000 0.023 1.623) 1.623 8.446 ( 0.000 5.863 3.992) 7.094 8.610 ( 0.000 2.356 -3.403) 4.138 8.759 ( 0.000 1.532 1.552) 2.181 8.831 ( 0.000 0.114 1.800) 1.804 8.931 ( 0.000 -2.955 0.436) 2.987 9.113 ( 0.000 -5.515 -2.970) 6.264 9.347 ( 0.000 3.079 1.393) 3.380 9.516 ( 0.000 -0.684 6.085) 6.123 9.580 ( 0.000 -0.970 -3.291) 3.431 9.846 ( 0.000 -4.077 -2.884) 4.994 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.253 11.269 0.724) 11.295 2.041 ( 1.697 11.740 -0.364) 11.868 2.046 ( 3.158 13.317 1.360) 13.754 2.125 ( 5.248 9.188 3.765) 11.231 2.309 ( -0.512 1.933 -4.652) 5.064 2.439 ( 5.422 4.415 -4.613) 8.377 2.568 ( -2.619 8.747 0.322) 9.136 2.612 ( -3.243 5.795 -1.008) 6.717 2.738 ( -2.295 5.073 -0.560) 5.596 2.793 ( 0.914 -1.706 -1.917) 2.725 2.824 ( -3.851 3.270 -0.346) 5.063 2.979 ( 2.422 3.989 -0.416) 4.685 3.068 ( 1.596 1.606 5.203) 5.675 3.189 ( 1.896 -2.544 4.653) 5.632 3.355 ( -0.408 4.075 -0.275) 4.105 3.492 ( 2.286 -4.557 -1.088) 5.213 3.601 ( 0.453 7.499 -0.826) 7.558 3.671 ( 0.977 6.383 -3.060) 7.145 3.738 ( 3.775 12.256 0.676) 12.842 3.904 ( -4.735 -4.756 1.341) 6.844 4.026 ( 2.105 8.121 -2.007) 8.626 4.098 ( -3.430 6.308 -1.181) 7.276 4.177 ( -5.111 10.964 2.746) 12.405 4.196 ( -1.454 12.797 2.841) 13.189 5.483 ( 0.090 7.794 3.629) 8.598 5.498 ( -0.274 6.019 0.735) 6.070 5.576 ( 0.319 3.458 -0.602) 3.525 5.622 ( 0.399 5.153 1.773) 5.464 5.784 ( -1.033 -0.275 0.833) 1.356 5.799 ( -4.336 4.895 -1.764) 6.773 5.829 ( 3.620 -3.602 -0.589) 5.141 5.985 ( 2.023 2.136 -3.636) 4.677 6.459 ( 0.331 2.515 0.761) 2.648 6.509 ( -0.695 1.557 -0.042) 1.706 6.598 ( 2.683 1.937 -3.243) 4.633 6.719 ( -1.269 -2.218 -4.502) 5.177 6.992 ( -2.310 -0.435 2.831) 3.680 7.023 ( -0.578 0.294 3.065) 3.133 7.088 ( -3.467 1.167 3.221) 4.874 7.148 ( 4.467 0.159 -1.015) 4.583 7.201 ( 0.221 -2.260 1.323) 2.628 7.309 ( 3.101 -0.122 2.893) 4.243 7.419 ( -1.084 -3.762 3.935) 5.551 7.562 ( 1.418 2.630 -2.771) 4.075 7.722 ( -3.405 -4.669 -3.918) 6.982 7.865 ( -1.679 -1.426 -9.638) 9.887 7.950 ( 5.548 -3.704 3.795) 7.675 8.079 ( 5.201 0.427 -0.358) 5.231 8.130 ( 0.513 2.028 -3.151) 3.782 8.222 ( -1.484 -0.531 2.356) 2.834 8.389 ( -5.488 4.902 3.653) 8.215 8.528 ( -7.536 2.579 -0.608) 7.989 8.760 ( 2.178 0.603 -0.833) 2.409 8.879 ( -0.954 -1.562 3.185) 3.673 8.959 ( 5.843 -0.246 -2.800) 6.484 9.147 ( 2.242 -4.638 -2.774) 5.851 9.357 ( 1.135 2.480 2.128) 3.459 9.495 ( -1.991 -0.807 5.634) 6.030 9.586 ( 0.848 -1.469 -2.626) 3.126 9.812 ( -3.512 -4.135 -2.759) 6.086 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.761 10.001 1.109) 10.091 2.025 ( -1.018 9.160 1.137) 9.287 2.159 ( 5.711 10.397 -2.199) 12.065 2.250 ( -1.707 6.521 -1.531) 6.912 2.290 ( 7.702 11.972 1.949) 14.369 2.463 ( -7.471 12.146 1.884) 14.383 2.529 ( 2.479 5.261 -3.795) 6.944 2.571 ( -2.518 4.795 -2.852) 6.121 2.711 ( 0.523 4.054 -1.412) 4.325 2.747 ( -3.048 4.470 0.606) 5.444 2.864 ( 6.385 -0.932 -5.865) 8.720 2.979 ( -3.843 0.543 -2.916) 4.855 3.112 ( 3.489 0.204 6.654) 7.515 3.181 ( -3.028 -0.910 6.640) 7.354 3.381 ( 4.365 0.126 -0.615) 4.410 3.486 ( -5.064 0.641 1.884) 5.441 3.676 ( 9.004 1.249 1.289) 9.181 3.715 ( 3.454 0.427 -4.277) 5.514 3.794 ( -2.538 1.272 -1.670) 3.293 3.827 ( -1.590 4.686 -0.646) 4.991 3.986 ( -4.809 8.666 2.391) 10.195 4.022 ( -3.903 14.343 1.188) 14.912 4.126 ( 1.339 12.371 0.874) 12.474 4.166 ( -1.986 13.553 1.306) 13.760 5.487 ( 0.389 7.267 1.642) 7.460 5.494 ( -0.249 6.939 0.736) 6.982 5.590 ( 1.233 4.467 -0.045) 4.634 5.617 ( -1.180 5.419 0.635) 5.582 5.745 ( -0.816 3.732 0.990) 3.946 5.757 ( -1.483 1.836 1.612) 2.858 5.914 ( 4.614 -2.378 -2.259) 5.661 5.983 ( -2.206 -0.073 -3.474) 4.116 6.478 ( 1.375 2.260 1.352) 2.971 6.498 ( -0.650 2.145 1.122) 2.506 6.648 ( 2.353 0.515 -3.379) 4.150 6.687 ( -1.917 -0.921 -3.788) 4.344 6.962 ( -0.433 -2.072 4.341) 4.829 6.990 ( -3.244 -2.665 3.873) 5.712 7.064 ( 2.433 -0.908 2.454) 3.573 7.128 ( -3.556 -0.249 3.377) 4.911 7.310 ( 7.764 -2.943 -4.095) 9.258 7.373 ( 2.210 0.525 2.761) 3.575 7.410 ( 0.273 -0.672 0.050) 0.727 7.492 ( -7.256 -1.444 -4.297) 8.555 7.737 ( 3.900 -1.207 -7.389) 8.441 7.814 ( -3.696 -1.260 -9.230) 10.022 8.074 ( 6.338 -2.285 7.416) 10.019 8.138 ( 3.202 2.943 0.195) 4.354 8.161 ( -1.984 3.626 1.864) 4.534 8.237 ( 6.055 -1.851 0.636) 6.363 8.260 ( -7.321 3.811 3.013) 8.786 8.377 ( -7.925 2.093 -0.115) 8.198 8.808 ( 2.377 0.069 -0.584) 2.449 8.846 ( -1.793 -0.928 0.553) 2.093 9.076 ( 5.550 -0.178 -2.982) 6.303 9.152 ( -2.084 -2.077 -3.410) 4.504 9.394 ( 2.690 0.778 3.846) 4.758 9.448 ( -2.855 -0.605 5.008) 5.796 9.629 ( 3.964 -3.026 -2.190) 5.447 9.723 ( -5.404 -4.035 -2.425) 7.167 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.000 5.369 1.343) 5.534 2.180 ( 0.000 4.786 2.682) 5.487 2.273 ( 0.000 -0.646 -0.581) 0.868 2.285 ( 0.000 11.728 0.745) 11.752 2.292 ( 0.000 8.451 -1.380) 8.563 2.476 ( 0.000 3.971 -2.418) 4.650 2.678 ( 0.000 -4.232 -0.609) 4.276 2.682 ( 0.000 3.297 -1.242) 3.523 2.808 ( 0.000 4.995 0.670) 5.040 2.856 ( 0.000 4.123 -2.746) 4.954 2.906 ( 0.000 1.861 3.843) 4.270 3.002 ( 0.000 -0.175 0.062) 0.186 3.096 ( 0.000 -4.215 2.905) 5.119 3.123 ( 0.000 4.503 1.537) 4.758 3.344 ( 0.000 -3.384 6.266) 7.122 3.418 ( 0.000 -2.565 -6.507) 6.994 3.566 ( 0.000 -5.062 -5.258) 7.299 3.634 ( 0.000 -3.482 2.016) 4.024 4.021 ( 0.000 9.064 4.238) 10.006 4.075 ( 0.000 12.237 -6.738) 13.969 4.105 ( 0.000 5.042 -5.375) 7.369 4.247 ( 0.000 3.554 -2.037) 4.096 4.417 ( 0.000 12.517 7.209) 14.445 4.529 ( 0.000 13.869 2.482) 14.089 5.576 ( 0.000 2.407 -0.179) 2.413 5.619 ( 0.000 4.346 1.266) 4.526 5.625 ( 0.000 2.055 -1.714) 2.676 5.703 ( 0.000 2.905 1.003) 3.074 5.748 ( 0.000 1.593 3.402) 3.756 5.765 ( 0.000 -1.164 -0.573) 1.297 5.967 ( 0.000 2.841 -3.630) 4.610 5.979 ( 0.000 1.296 -0.196) 1.311 6.524 ( 0.000 3.367 -1.383) 3.640 6.539 ( 0.000 1.809 0.644) 1.920 6.629 ( 0.000 2.373 -2.830) 3.693 6.681 ( 0.000 -1.936 -3.793) 4.258 7.047 ( 0.000 -0.451 0.182) 0.487 7.060 ( 0.000 0.393 5.258) 5.272 7.062 ( 0.000 0.832 -0.431) 0.937 7.172 ( 0.000 -1.203 0.946) 1.530 7.220 ( 0.000 -2.616 3.639) 4.481 7.256 ( 0.000 7.086 1.655) 7.276 7.334 ( 0.000 -4.752 6.344) 7.926 7.597 ( 0.000 3.759 -2.990) 4.804 7.670 ( 0.000 -5.588 -0.991) 5.675 7.810 ( 0.000 -3.273 0.071) 3.274 7.841 ( 0.000 -3.593 -10.399) 11.003 7.939 ( 0.000 -5.166 -2.434) 5.710 8.152 ( 0.000 1.525 0.889) 1.765 8.242 ( 0.000 0.093 2.595) 2.596 8.558 ( 0.000 4.856 1.301) 5.027 8.642 ( 0.000 1.128 -2.839) 3.055 8.788 ( 0.000 1.209 1.192) 1.698 8.819 ( 0.000 -0.824 1.632) 1.828 8.889 ( 0.000 -1.355 1.694) 2.169 9.002 ( 0.000 -5.258 -1.596) 5.495 9.425 ( 0.000 4.209 0.379) 4.226 9.533 ( 0.000 2.023 3.767) 4.276 9.564 ( 0.000 -0.810 -1.847) 2.016 9.762 ( 0.000 -4.340 -2.353) 4.937 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.239 5.991 1.357) 6.147 2.172 ( -0.635 4.702 2.136) 5.204 2.281 ( 2.728 3.143 0.746) 4.228 2.301 ( 1.399 7.397 -2.196) 7.841 2.381 ( 6.449 8.172 -0.130) 10.411 2.520 ( 4.502 3.332 -2.945) 6.328 2.676 ( -0.236 -0.373 -1.040) 1.130 2.691 ( 1.445 1.195 -0.638) 1.981 2.770 ( -2.632 6.586 0.395) 7.103 2.850 ( -1.232 3.970 -0.258) 4.165 2.905 ( -0.312 3.161 1.221) 3.402 3.022 ( -0.703 0.305 -0.360) 0.847 3.086 ( 1.714 -2.738 4.611) 5.631 3.126 ( -0.917 1.220 3.741) 4.041 3.346 ( -3.169 -6.961 -4.480) 8.864 3.412 ( 4.708 -1.553 1.380) 5.146 3.563 ( -4.598 -5.230 0.628) 6.992 3.623 ( 2.871 -2.328 -2.454) 4.437 3.923 ( -6.626 4.635 -0.711) 8.117 4.015 ( -6.272 4.487 -6.735) 10.239 4.212 ( 6.965 9.383 -0.856) 11.717 4.261 ( 1.807 10.864 -0.352) 11.019 4.406 ( -1.080 12.802 5.869) 14.124 4.512 ( -1.776 13.582 2.129) 13.863 5.584 ( 1.074 3.487 -0.419) 3.673 5.610 ( 0.198 4.017 -0.570) 4.062 5.653 ( 1.371 4.185 0.909) 4.497 5.724 ( 1.524 4.163 2.379) 5.031 5.760 ( 1.281 -0.946 0.247) 1.611 5.779 ( 1.908 -1.021 -0.101) 2.167 5.894 ( -4.687 3.552 -1.265) 6.015 5.999 ( -0.579 -0.683 -1.919) 2.118 6.518 ( -0.063 3.122 -0.269) 3.134 6.544 ( 0.173 2.211 0.828) 2.368 6.634 ( 0.763 1.023 -3.212) 3.456 6.682 ( -0.227 -1.407 -3.196) 3.499 6.993 ( -3.108 0.613 1.623) 3.560 7.030 ( -2.287 0.270 3.901) 4.530 7.080 ( -4.957 -1.216 3.513) 6.196 7.143 ( 1.546 -2.187 -1.883) 3.274 7.193 ( 0.447 1.814 1.215) 2.228 7.324 ( 3.112 0.162 2.779) 4.176 7.354 ( 3.035 -0.831 2.422) 3.971 7.579 ( -5.787 -2.674 -3.502) 7.273 7.665 ( 3.203 1.199 -3.970) 5.240 7.821 ( -0.805 -2.675 -7.672) 8.164 7.860 ( 4.466 -4.751 1.604) 6.715 8.025 ( 6.414 -5.651 -0.043) 8.548 8.159 ( 0.932 1.894 1.343) 2.502 8.233 ( -0.418 1.022 2.669) 2.889 8.483 ( -6.596 4.092 0.467) 7.776 8.568 ( -7.076 1.326 -1.156) 7.292 8.786 ( 2.492 2.034 0.149) 3.220 8.863 ( -0.388 0.071 2.384) 2.417 8.939 ( 6.142 -1.679 -0.789) 6.416 9.044 ( 3.259 -5.309 -1.187) 6.342 9.423 ( -0.013 3.788 0.679) 3.848 9.509 ( -2.157 1.852 3.105) 4.210 9.563 ( 0.030 -0.972 -1.315) 1.635 9.729 ( -3.348 -4.188 -2.222) 5.804 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -0.083 6.005 1.697) 6.240 2.162 ( -0.307 5.166 1.739) 5.459 2.326 ( 1.109 2.920 -2.313) 3.887 2.328 ( 1.114 3.596 -1.731) 4.143 2.514 ( 7.022 9.386 0.270) 11.725 2.589 ( 0.394 3.354 -3.313) 4.731 2.673 ( 0.911 5.946 -0.696) 6.055 2.722 ( -2.447 10.069 0.975) 10.408 2.757 ( 3.949 0.532 1.188) 4.158 2.817 ( -2.763 2.406 3.211) 4.871 2.896 ( 1.868 4.697 -4.704) 6.905 2.974 ( -3.910 -0.301 -0.820) 4.007 3.096 ( 0.649 -1.209 5.704) 5.867 3.132 ( -1.215 -3.494 3.268) 4.936 3.308 ( 2.336 -6.490 -0.934) 6.960 3.419 ( -7.342 -8.799 2.221) 11.673 3.597 ( 11.124 -0.801 -1.637) 11.272 3.706 ( 5.492 -1.213 -2.821) 6.292 3.792 ( -7.766 0.654 -3.891) 8.711 3.849 ( -10.030 -0.462 -3.062) 10.497 4.301 ( 2.820 14.958 1.461) 15.292 4.327 ( 2.294 13.968 0.848) 14.181 4.392 ( 1.273 12.331 2.873) 12.725 4.460 ( -3.738 12.728 1.418) 13.341 5.612 ( 1.327 5.341 -0.195) 5.507 5.622 ( 0.488 5.689 -0.142) 5.711 5.678 ( 1.891 4.256 0.302) 4.667 5.724 ( -1.807 5.013 1.232) 5.469 5.782 ( 0.969 0.575 0.082) 1.130 5.810 ( -2.267 2.220 0.207) 3.180 5.861 ( 4.714 -2.581 -0.783) 5.431 5.952 ( -4.126 -2.696 -1.610) 5.185 6.529 ( 1.154 2.618 0.805) 2.973 6.545 ( -0.232 2.459 1.213) 2.752 6.651 ( 0.842 -0.667 -2.438) 2.664 6.669 ( -1.005 -0.865 -2.162) 2.536 6.945 ( -1.479 0.310 2.260) 2.718 6.958 ( -3.138 -0.060 2.825) 4.222 7.048 ( 1.404 -0.692 2.449) 2.906 7.104 ( -3.930 -2.475 2.095) 5.095 7.276 ( 6.508 -0.161 -5.020) 8.221 7.368 ( -0.367 -1.039 -0.139) 1.111 7.411 ( 2.179 0.599 1.387) 2.652 7.455 ( -5.168 -2.280 -4.802) 7.413 7.730 ( 3.144 0.941 -4.661) 5.701 7.785 ( -2.580 -0.925 -6.169) 6.751 7.978 ( 6.752 -6.146 6.336) 11.114 8.079 ( -2.589 -7.412 5.145) 9.387 8.209 ( 5.225 3.539 1.392) 6.463 8.275 ( 4.936 2.859 -1.257) 5.841 8.345 ( -6.786 3.653 0.792) 7.747 8.421 ( -7.941 1.785 -1.170) 8.223 8.834 ( 1.953 2.363 0.346) 3.085 8.855 ( -0.452 1.641 1.008) 1.978 9.043 ( 4.259 -2.873 -1.344) 5.311 9.084 ( 0.192 -4.445 -1.513) 4.700 9.431 ( 1.053 2.710 1.544) 3.292 9.464 ( -2.287 1.911 2.472) 3.872 9.580 ( 2.249 -2.062 -1.351) 3.337 9.649 ( -4.543 -3.498 -1.823) 6.017 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 0.000 1.758 1.323) 2.200 2.242 ( 0.000 -1.574 1.075) 1.906 2.291 ( 0.000 5.269 1.532) 5.487 2.368 ( 0.000 -1.362 -1.896) 2.334 2.461 ( 0.000 5.564 -0.942) 5.644 2.516 ( 0.000 -0.491 -1.264) 1.356 2.660 ( 0.000 2.752 2.528) 3.737 2.708 ( 0.000 -0.773 1.477) 1.667 2.886 ( 0.000 2.532 -0.164) 2.538 2.906 ( 0.000 0.672 -0.876) 1.104 2.943 ( 0.000 1.795 3.132) 3.610 2.982 ( 0.000 -1.718 2.056) 2.680 3.053 ( 0.000 0.986 -0.200) 1.006 3.124 ( 0.000 -4.571 -1.945) 4.967 3.309 ( 0.000 1.971 -1.091) 2.253 3.366 ( 0.000 -2.856 -5.257) 5.983 3.529 ( 0.000 0.666 2.554) 2.640 3.568 ( 0.000 -2.906 3.733) 4.731 4.172 ( 0.000 4.192 -1.543) 4.467 4.180 ( 0.000 2.209 -5.331) 5.770 4.212 ( 0.000 4.194 -4.966) 6.500 4.273 ( 0.000 -1.033 -1.677) 1.970 4.653 ( 0.000 8.426 5.441) 10.030 4.707 ( 0.000 3.338 3.091) 4.549 5.622 ( 0.000 2.519 -1.803) 3.098 5.653 ( 0.000 0.781 -1.638) 1.815 5.659 ( 0.000 0.483 -1.614) 1.685 5.680 ( 0.000 -2.908 -2.891) 4.101 5.804 ( 0.000 2.368 3.458) 4.192 5.804 ( 0.000 2.352 4.953) 5.483 5.988 ( 0.000 -0.077 0.636) 0.641 5.989 ( 0.000 -0.085 -1.312) 1.314 6.588 ( 0.000 2.908 -2.178) 3.634 6.592 ( 0.000 2.985 -0.838) 3.100 6.645 ( 0.000 -1.901 -2.468) 3.115 6.645 ( 0.000 -0.919 -2.424) 2.592 7.038 ( 0.000 -0.202 0.390) 0.439 7.047 ( 0.000 -1.056 1.587) 1.906 7.091 ( 0.000 1.844 3.873) 4.290 7.134 ( 0.000 -2.284 3.171) 3.908 7.210 ( 0.000 1.397 2.574) 2.928 7.256 ( 0.000 -3.031 3.335) 4.507 7.405 ( 0.000 7.371 0.567) 7.392 7.545 ( 0.000 -6.616 -0.713) 6.654 7.686 ( 0.000 4.686 -1.157) 4.827 7.767 ( 0.000 -3.510 -4.061) 5.368 7.771 ( 0.000 -0.073 -5.034) 5.034 7.828 ( 0.000 -5.316 -5.937) 7.969 8.192 ( 0.000 2.193 3.169) 3.853 8.230 ( 0.000 -1.345 3.528) 3.776 8.632 ( 0.000 2.453 -0.741) 2.563 8.656 ( 0.000 -0.011 -2.220) 2.220 8.804 ( 0.000 0.401 1.073) 1.146 8.808 ( 0.000 -0.233 0.927) 0.956 8.878 ( 0.000 0.402 2.085) 2.124 8.914 ( 0.000 -3.271 0.254) 3.281 9.500 ( 0.000 2.992 0.001) 2.992 9.543 ( 0.000 -1.451 -0.620) 1.578 9.590 ( 0.000 3.657 0.817) 3.747 9.673 ( 0.000 -4.452 -1.294) 4.637 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 1.297 2.446 0.952) 2.928 2.271 ( 2.358 -1.654 0.488) 2.921 2.284 ( -0.686 5.243 1.919) 5.626 2.366 ( -0.554 -1.892 -0.922) 2.176 2.521 ( 6.413 4.485 -0.812) 7.868 2.557 ( 4.670 0.388 -1.774) 5.011 2.679 ( 2.043 2.649 2.433) 4.137 2.721 ( 1.162 -0.384 1.159) 1.686 2.884 ( -0.134 3.447 0.531) 3.490 2.911 ( 0.378 1.573 0.345) 1.654 2.935 ( -0.711 1.421 2.241) 2.747 3.008 ( 2.323 -3.897 1.792) 4.878 3.042 ( -0.622 3.042 -0.590) 3.161 3.141 ( 0.714 -4.989 -2.265) 5.525 3.249 ( -5.830 2.298 -0.504) 6.287 3.338 ( -3.698 -4.942 -3.307) 7.002 3.537 ( 1.114 1.196 2.424) 2.924 3.575 ( 2.519 -2.364 1.316) 3.697 4.003 ( -9.742 2.969 -3.524) 10.777 4.039 ( -10.351 -0.600 -5.298) 11.643 4.363 ( 8.666 4.972 -1.173) 10.060 4.393 ( 7.206 2.234 -2.028) 7.812 4.638 ( -1.644 8.101 4.742) 9.530 4.687 ( -2.057 3.360 2.700) 4.776 5.647 ( 2.574 2.928 -1.472) 4.167 5.668 ( 1.752 2.133 -2.027) 3.424 5.690 ( 2.967 -0.697 -1.261) 3.299 5.711 ( 2.923 -2.369 -2.202) 4.360 5.799 ( -0.416 2.414 2.947) 3.832 5.810 ( 0.187 2.002 3.893) 4.382 5.939 ( -4.050 1.258 -0.212) 4.247 5.968 ( -2.923 -1.918 -0.114) 3.498 6.578 ( -0.576 2.751 -1.107) 3.021 6.600 ( 0.105 3.176 -0.337) 3.195 6.624 ( -0.698 -1.726 -2.417) 3.051 6.655 ( -0.001 -1.924 -1.860) 2.676 7.013 ( -2.143 1.218 0.939) 2.637 7.030 ( -1.965 -0.298 2.340) 3.070 7.068 ( -2.682 0.114 3.230) 4.200 7.092 ( -3.301 -2.346 2.237) 4.627 7.233 ( 2.398 2.228 -0.281) 3.285 7.281 ( 2.943 -2.523 0.271) 3.886 7.412 ( 0.684 4.145 0.729) 4.264 7.497 ( -4.253 -4.354 -2.654) 6.640 7.727 ( 2.548 2.968 -3.190) 5.048 7.770 ( 2.832 -2.530 -0.460) 3.825 7.800 ( 1.700 0.982 -4.080) 4.527 7.895 ( 4.711 -6.570 -0.795) 8.123 8.204 ( 1.579 2.212 3.120) 4.137 8.236 ( 1.214 -0.833 3.179) 3.503 8.548 ( -6.840 2.364 -1.060) 7.314 8.577 ( -6.827 -0.515 -1.459) 7.000 8.838 ( 3.712 2.953 0.443) 4.764 8.877 ( 2.265 0.711 1.359) 2.735 8.902 ( 3.932 -1.270 0.405) 4.152 8.946 ( 2.715 -4.209 0.276) 5.016 9.493 ( -0.542 2.881 0.086) 2.933 9.535 ( -0.656 -1.227 -0.639) 1.531 9.567 ( -2.170 3.127 0.766) 3.882 9.644 ( -2.862 -4.198 -1.222) 5.226 ======================= Grid point 97 (42/63) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.857 3.731 1.059) 3.972 2.266 ( -1.060 4.662 1.744) 5.089 2.312 ( 1.886 -2.371 -0.264) 3.041 2.344 ( -1.559 -2.582 -0.295) 3.030 2.651 ( 4.921 4.380 -0.742) 6.630 2.670 ( 4.483 3.945 -0.656) 6.008 2.727 ( 2.841 -0.289 0.742) 2.950 2.752 ( 1.963 -1.221 1.299) 2.652 2.883 ( 0.497 4.740 1.955) 5.152 2.909 ( -1.348 7.563 0.879) 7.732 2.944 ( 3.123 -0.673 0.454) 3.226 3.028 ( -2.158 3.794 -1.676) 4.675 3.046 ( 0.892 -4.037 0.941) 4.240 3.099 ( -5.041 2.730 1.450) 5.913 3.160 ( -0.281 -7.204 -1.005) 7.279 3.229 ( -6.305 -8.534 0.387) 10.617 3.624 ( 8.295 2.264 -1.110) 8.670 3.671 ( 7.201 -2.213 -1.695) 7.722 3.813 ( -10.501 1.331 -3.932) 11.292 3.837 ( -10.239 -0.911 -3.366) 10.817 4.503 ( 5.711 5.622 0.307) 8.019 4.520 ( 6.236 4.219 -0.070) 7.529 4.591 ( -3.228 6.792 2.854) 8.043 4.627 ( -4.337 3.449 1.630) 5.776 5.703 ( 2.783 3.848 -0.671) 4.796 5.720 ( 2.795 3.964 -1.430) 5.057 5.748 ( 2.315 1.524 -0.284) 2.786 5.774 ( 2.681 -1.391 -1.281) 3.281 5.798 ( 2.007 -1.128 0.635) 2.388 5.801 ( -1.268 1.903 1.779) 2.897 5.852 ( -4.403 0.778 -0.015) 4.471 5.890 ( -4.928 -3.063 0.150) 5.805 6.578 ( 0.743 2.242 0.147) 2.367 6.594 ( -0.584 2.335 0.264) 2.421 6.622 ( 0.406 -1.860 -0.803) 2.066 6.642 ( -1.324 -1.971 -0.783) 2.501 6.974 ( -1.160 2.513 1.156) 2.999 6.985 ( -2.066 2.161 1.483) 3.337 7.027 ( -0.748 -1.633 1.913) 2.624 7.040 ( -2.020 -3.433 1.286) 4.186 7.301 ( 4.544 2.360 -4.180) 6.610 7.347 ( 2.893 -1.418 -1.880) 3.730 7.404 ( -3.181 -1.082 -4.084) 5.288 7.413 ( -2.641 -1.268 -2.441) 3.813 7.771 ( 2.677 2.968 -1.009) 4.122 7.813 ( -0.939 4.177 0.456) 4.306 7.857 ( 5.049 -5.506 3.574) 8.282 7.930 ( -1.647 -6.992 3.381) 7.939 8.272 ( 5.769 2.503 1.347) 6.431 8.301 ( 5.744 -0.243 0.522) 5.772 8.406 ( -7.696 2.409 -0.512) 8.080 8.436 ( -7.697 -0.433 -1.130) 7.792 8.897 ( 1.962 3.774 0.371) 4.269 8.905 ( 0.921 3.234 0.666) 3.428 8.974 ( 2.654 -3.694 -0.283) 4.558 8.989 ( 1.156 -4.734 -0.226) 4.879 9.489 ( 0.409 2.757 0.288) 2.802 9.514 ( -1.982 2.778 0.238) 3.421 9.540 ( 0.614 -1.947 -0.389) 2.078 9.581 ( -3.303 -3.358 -0.962) 4.807 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 0.000 26.117) 26.117 1.093 ( 0.000 0.000 27.480) 27.480 1.560 ( 0.000 0.000 20.074) 20.074 1.564 ( 0.000 0.000 -22.165) 22.165 1.636 ( 0.000 0.000 -9.787) 9.787 1.894 ( 0.000 0.000 10.690) 10.690 2.066 ( 0.000 0.000 -6.250) 6.250 2.096 ( 0.000 0.000 -8.993) 8.993 2.185 ( 0.000 0.000 6.687) 6.687 2.310 ( 0.000 0.000 -5.680) 5.680 2.406 ( 0.000 0.000 -4.152) 4.152 2.442 ( 0.000 0.000 0.766) 0.766 2.457 ( 0.000 0.000 -0.448) 0.448 2.483 ( 0.000 0.000 -19.414) 19.414 2.775 ( 0.000 0.000 2.962) 2.962 2.825 ( 0.000 0.000 -2.077) 2.077 3.145 ( 0.000 0.000 9.594) 9.594 3.313 ( 0.000 0.000 -8.096) 8.096 3.644 ( 0.000 0.000 1.358) 1.358 3.692 ( 0.000 0.000 -3.932) 3.932 4.070 ( 0.000 0.000 5.261) 5.261 4.159 ( 0.000 0.000 -3.375) 3.375 4.349 ( 0.000 0.000 15.540) 15.540 4.607 ( 0.000 0.000 -10.542) 10.542 5.003 ( 0.000 0.000 5.598) 5.598 5.088 ( 0.000 0.000 4.527) 4.527 5.112 ( 0.000 0.000 -5.135) 5.135 5.183 ( 0.000 0.000 -5.034) 5.034 5.462 ( 0.000 0.000 2.121) 2.121 5.493 ( 0.000 0.000 -1.105) 1.105 6.200 ( 0.000 0.000 6.788) 6.788 6.360 ( 0.000 0.000 -8.353) 8.353 6.598 ( 0.000 0.000 5.695) 5.695 6.627 ( 0.000 0.000 2.908) 2.908 6.812 ( 0.000 0.000 3.097) 3.097 6.909 ( 0.000 0.000 -4.358) 4.358 6.990 ( 0.000 0.000 0.456) 0.456 7.057 ( 0.000 0.000 -7.192) 7.192 7.082 ( 0.000 0.000 1.046) 1.046 7.099 ( 0.000 0.000 -0.695) 0.695 7.339 ( 0.000 0.000 2.291) 2.291 7.386 ( 0.000 0.000 -2.434) 2.434 7.439 ( 0.000 0.000 -1.121) 1.121 7.457 ( 0.000 0.000 -2.167) 2.167 7.553 ( 0.000 0.000 0.746) 0.746 7.566 ( 0.000 0.000 -0.547) 0.547 7.894 ( 0.000 0.000 0.534) 0.534 7.909 ( 0.000 0.000 -0.922) 0.922 7.983 ( 0.000 0.000 6.522) 6.522 8.093 ( 0.000 0.000 -4.013) 4.013 8.158 ( 0.000 0.000 3.180) 3.180 8.200 ( 0.000 0.000 -2.465) 2.465 8.536 ( 0.000 0.000 1.700) 1.700 8.557 ( 0.000 0.000 0.173) 0.173 9.309 ( 0.000 0.000 1.291) 1.291 9.322 ( 0.000 0.000 -0.107) 0.107 9.572 ( 0.000 0.000 4.100) 4.100 9.674 ( 0.000 0.000 -5.644) 5.644 9.881 ( 0.000 0.000 6.025) 6.025 9.991 ( 0.000 0.000 -5.016) 5.016 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 2.637 0.000 24.160) 24.304 1.190 ( 9.981 0.000 23.157) 25.217 1.540 ( -3.649 0.000 -19.608) 19.945 1.621 ( 5.915 0.000 -20.554) 21.388 1.711 ( 1.295 0.000 10.014) 10.098 1.827 ( -12.216 0.000 -1.011) 12.257 2.005 ( 15.749 0.000 20.370) 25.748 2.020 ( -13.502 0.000 8.212) 15.804 2.181 ( -10.039 0.000 -7.836) 12.735 2.410 ( 13.893 0.000 -5.925) 15.104 2.458 ( 10.946 0.000 -1.881) 11.106 2.542 ( 6.654 0.000 0.962) 6.723 2.554 ( 6.830 0.000 -0.139) 6.832 2.557 ( 6.142 0.000 -18.436) 19.432 2.763 ( -1.289 0.000 3.004) 3.269 2.813 ( -1.370 0.000 -2.042) 2.459 3.042 ( -6.697 0.000 5.455) 8.637 3.202 ( -9.305 0.000 -10.145) 13.766 3.584 ( -10.690 0.000 9.547) 14.332 3.746 ( -1.078 0.000 -7.234) 7.314 4.027 ( 0.489 0.000 6.594) 6.612 4.147 ( 2.540 0.000 -5.062) 5.663 4.368 ( 0.027 0.000 12.528) 12.528 4.582 ( -3.076 0.000 -8.937) 9.452 5.011 ( 0.839 0.000 5.466) 5.530 5.078 ( -0.875 0.000 4.127) 4.219 5.121 ( 0.883 0.000 -4.606) 4.690 5.178 ( -0.568 0.000 -5.000) 5.032 5.500 ( 3.746 0.000 2.520) 4.515 5.541 ( 4.959 0.000 -1.606) 5.213 6.080 ( -10.698 0.000 9.640) 14.401 6.252 ( -12.026 0.000 -5.935) 13.411 6.525 ( -3.134 0.000 5.979) 6.751 6.603 ( -0.913 0.000 0.585) 1.084 6.692 ( -5.144 0.000 -0.406) 5.160 6.748 ( -7.519 0.000 -6.265) 9.787 7.089 ( 0.749 0.000 0.948) 1.208 7.105 ( 0.523 0.000 -0.613) 0.806 7.224 ( 12.590 0.000 1.278) 12.655 7.255 ( 12.119 0.000 -0.768) 12.143 7.333 ( -0.518 0.000 1.938) 2.006 7.373 ( -1.326 0.000 -2.029) 2.424 7.503 ( 4.145 0.000 -1.097) 4.287 7.518 ( 5.745 0.000 -2.934) 6.451 7.554 ( 0.089 0.000 0.642) 0.649 7.565 ( -0.135 0.000 -0.458) 0.478 7.898 ( 0.428 0.000 0.360) 0.559 7.910 ( 0.117 0.000 -0.789) 0.797 7.976 ( -1.293 0.000 4.794) 4.966 8.038 ( -4.536 0.000 -0.667) 4.585 8.112 ( -3.547 0.000 0.457) 3.576 8.161 ( -3.434 0.000 -4.406) 5.586 8.586 ( 4.994 0.000 2.306) 5.501 8.632 ( 5.359 0.000 -2.273) 5.821 9.261 ( -2.919 0.000 1.719) 3.387 9.303 ( -2.740 0.000 -2.549) 3.742 9.598 ( 2.677 0.000 6.090) 6.653 9.705 ( 1.928 0.000 -4.417) 4.820 9.902 ( 1.940 0.000 4.239) 4.662 9.991 ( -0.091 0.000 -4.345) 4.346 ======================= Grid point 132 (45/63) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 12.882 0.000 13.946) 18.986 1.436 ( 15.134 0.000 17.378) 23.045 1.486 ( -8.166 0.000 1.256) 8.262 1.580 ( -3.663 0.000 -12.237) 12.774 1.658 ( -6.838 0.000 -7.424) 10.093 1.735 ( -15.795 0.000 12.099) 19.896 1.775 ( 9.665 0.000 -16.658) 19.259 1.977 ( -11.165 0.000 -12.040) 16.420 2.356 ( 15.112 0.000 15.383) 21.564 2.546 ( -3.032 0.000 1.602) 3.429 2.644 ( 4.185 0.000 1.975) 4.628 2.668 ( 12.635 0.000 8.278) 15.105 2.668 ( 3.864 0.000 -0.445) 3.890 2.733 ( -1.104 0.000 2.246) 2.503 2.738 ( 9.752 0.000 -5.027) 10.971 2.771 ( -2.970 0.000 -1.606) 3.377 3.033 ( -5.709 0.000 -6.724) 8.821 3.112 ( 14.485 0.000 -13.135) 19.554 3.252 ( -18.811 0.000 13.877) 23.376 3.516 ( -19.746 0.000 -12.147) 23.183 4.152 ( 9.381 0.000 8.209) 12.466 4.283 ( 5.051 0.000 1.145) 5.180 4.320 ( -0.768 0.000 2.743) 2.849 4.478 ( -7.897 0.000 -7.150) 10.653 5.032 ( 1.306 0.000 5.087) 5.252 5.058 ( -1.277 0.000 4.542) 4.718 5.141 ( 1.155 0.000 -4.702) 4.841 5.162 ( -1.012 0.000 -4.888) 4.992 5.592 ( 5.519 0.000 3.832) 6.719 5.641 ( 3.018 0.000 -0.718) 3.102 5.910 ( -3.716 0.000 7.238) 8.136 6.009 ( -11.386 0.000 -1.369) 11.468 6.527 ( 2.271 0.000 -0.088) 2.272 6.586 ( -2.594 0.000 -5.598) 6.170 6.618 ( -0.987 0.000 1.780) 2.035 6.648 ( -3.288 0.000 -2.909) 4.390 7.105 ( 0.781 0.000 0.546) 0.953 7.113 ( 0.095 0.000 -0.167) 0.192 7.328 ( 0.196 0.000 0.776) 0.800 7.344 ( -1.420 0.000 -0.850) 1.655 7.424 ( 7.603 0.000 3.510) 8.374 7.453 ( 9.491 0.000 2.342) 9.775 7.524 ( -1.729 0.000 1.915) 2.580 7.557 ( 0.212 0.000 0.297) 0.365 7.561 ( -0.234 0.000 -0.148) 0.277 7.588 ( -1.513 0.000 -3.275) 3.608 7.907 ( 0.388 0.000 -0.033) 0.389 7.911 ( -0.063 0.000 -0.455) 0.460 7.926 ( 0.093 0.000 6.350) 6.351 7.995 ( -4.120 0.000 2.575) 4.859 8.053 ( 0.476 0.000 -6.513) 6.530 8.098 ( -3.089 0.000 -6.962) 7.617 8.679 ( 3.798 0.000 0.375) 3.816 8.704 ( 1.488 0.000 -2.045) 2.529 9.226 ( -0.491 0.000 0.016) 0.491 9.247 ( -2.486 0.000 -2.171) 3.301 9.659 ( 3.362 0.000 5.114) 6.120 9.710 ( -1.567 0.000 0.365) 1.609 9.945 ( 2.352 0.000 0.494) 2.403 9.981 ( -1.186 0.000 -2.596) 2.855 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 3.286 23.951) 24.175 1.196 ( 0.000 9.825 23.584) 25.549 1.524 ( 0.000 -1.270 -20.863) 20.902 1.658 ( 0.000 5.538 -21.596) 22.294 1.912 ( 0.000 25.259 26.099) 36.321 1.917 ( 0.000 2.010 10.069) 10.268 2.112 ( 0.000 2.263 -7.901) 8.218 2.223 ( 0.000 10.137 3.115) 10.605 2.246 ( 0.000 7.574 4.036) 8.582 2.376 ( 0.000 4.783 -6.578) 8.133 2.444 ( 0.000 5.096 -2.855) 5.842 2.538 ( 0.000 8.653 0.849) 8.695 2.542 ( 0.000 9.355 -5.863) 11.041 2.598 ( 0.000 10.661 -16.456) 19.608 2.816 ( 0.000 3.944 2.276) 4.553 2.858 ( 0.000 2.924 -1.798) 3.433 3.139 ( 0.000 -0.198 9.273) 9.275 3.310 ( 0.000 -0.109 -8.538) 8.539 3.673 ( 0.000 2.794 0.368) 2.818 3.693 ( 0.000 0.063 -2.024) 2.025 4.057 ( 0.000 -0.891 4.258) 4.350 4.127 ( 0.000 -2.979 -2.549) 3.921 4.314 ( 0.000 -3.386 14.414) 14.807 4.552 ( 0.000 -5.385 -9.683) 11.079 5.059 ( 0.000 5.284 5.514) 7.637 5.157 ( 0.000 6.419 5.777) 8.636 5.177 ( 0.000 5.236 -6.353) 8.233 5.274 ( 0.000 8.663 -6.108) 10.600 5.488 ( 0.000 2.734 1.362) 3.055 5.507 ( 0.000 1.491 -0.523) 1.580 6.169 ( 0.000 -3.825 7.881) 8.760 6.350 ( 0.000 -2.689 -9.974) 10.330 6.488 ( 0.000 -9.956 4.721) 11.019 6.538 ( 0.000 -6.787 0.826) 6.838 6.678 ( 0.000 -9.998 7.329) 12.397 6.783 ( 0.000 -1.922 -2.593) 3.228 6.944 ( 0.000 -2.133 1.201) 2.448 7.032 ( 0.000 -1.833 -7.127) 7.359 7.124 ( 0.000 0.798 1.563) 1.755 7.154 ( 0.000 0.004 -1.357) 1.357 7.272 ( 0.000 1.191 2.645) 2.901 7.319 ( 0.000 -0.415 -2.115) 2.155 7.525 ( 0.000 -0.984 2.279) 2.483 7.553 ( 0.000 0.494 -0.034) 0.495 7.641 ( 0.000 9.863 -0.469) 9.874 7.661 ( 0.000 9.739 -2.004) 9.943 7.900 ( 0.000 -0.762 0.383) 0.853 7.907 ( 0.000 1.181 -0.413) 1.251 8.096 ( 0.000 1.925 5.999) 6.300 8.179 ( 0.000 6.111 -2.762) 6.707 8.217 ( 0.000 8.863 -3.353) 9.476 8.217 ( 0.000 2.596 -2.582) 3.662 8.574 ( 0.000 4.379 0.551) 4.413 8.583 ( 0.000 2.930 0.165) 2.935 9.264 ( 0.000 -4.269 1.080) 4.404 9.279 ( 0.000 -3.932 -0.576) 3.974 9.536 ( 0.000 -3.297 4.324) 5.438 9.639 ( 0.000 -3.149 -5.580) 6.407 9.855 ( 0.000 -2.544 6.296) 6.790 9.969 ( 0.000 -2.135 -5.181) 5.604 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 6.162 6.066 19.763) 21.572 1.301 ( 9.586 9.520 20.535) 24.581 1.507 ( -0.538 0.084 -17.868) 17.876 1.699 ( 2.910 5.894 -18.522) 19.654 1.825 ( -5.426 7.890 6.984) 11.852 1.940 ( -8.759 8.110 -4.780) 12.859 2.092 ( -8.975 8.469 9.956) 15.855 2.154 ( 11.142 14.314 16.920) 24.805 2.283 ( -6.231 9.460 -4.099) 12.046 2.431 ( 5.813 1.290 0.281) 5.961 2.448 ( 10.482 0.932 -1.827) 10.681 2.576 ( 5.511 8.504 -8.950) 13.521 2.663 ( 7.661 8.560 0.803) 11.516 2.706 ( 6.304 10.096 -8.226) 14.468 2.805 ( 0.527 4.613 -0.429) 4.663 2.840 ( -1.863 2.395 -2.363) 3.846 3.068 ( -4.335 2.727 5.282) 7.357 3.218 ( -7.652 1.888 -9.440) 12.297 3.612 ( -10.269 3.008 7.898) 13.299 3.747 ( -0.375 0.065 -5.856) 5.868 4.004 ( -0.763 -2.074 6.175) 6.558 4.114 ( 2.339 -3.097 -4.416) 5.880 4.328 ( -0.339 -3.828 11.412) 12.041 4.526 ( -3.110 -5.473 -8.325) 10.437 5.068 ( 0.948 5.367 5.356) 7.641 5.144 ( -1.141 6.031 4.459) 7.587 5.186 ( 0.739 5.402 -4.861) 7.305 5.257 ( -1.506 7.405 -5.251) 9.202 5.523 ( 3.312 2.313 1.987) 4.502 5.560 ( 5.154 1.994 -1.591) 5.751 6.047 ( -10.062 -3.270 9.428) 14.171 6.209 ( -12.135 -4.615 -5.156) 13.969 6.482 ( 0.364 -3.259 3.330) 4.674 6.554 ( 0.833 -4.377 -2.539) 5.128 6.623 ( -2.580 -4.562 3.625) 6.373 6.719 ( -5.179 -1.669 -5.825) 7.971 7.090 ( 9.551 -3.781 3.706) 10.920 7.125 ( 1.694 1.981 0.990) 2.788 7.161 ( 5.233 -1.754 -0.606) 5.552 7.210 ( 8.358 -3.368 -4.096) 9.898 7.295 ( 2.474 -0.665 3.013) 3.955 7.338 ( 1.407 -0.712 -1.975) 2.528 7.517 ( -0.578 -1.388 3.066) 3.415 7.562 ( 0.548 0.634 -1.049) 1.343 7.635 ( -0.173 7.651 -0.807) 7.695 7.657 ( -0.342 8.539 -2.201) 8.825 7.865 ( -3.724 -3.003 2.059) 5.208 7.896 ( -1.374 -0.137 -1.197) 1.828 8.065 ( -2.638 3.506 6.008) 7.439 8.144 ( -5.379 4.602 -0.562) 7.101 8.163 ( -2.491 5.611 -2.551) 6.648 8.179 ( -1.840 5.693 -5.656) 8.233 8.642 ( 6.109 5.254 0.953) 8.113 8.672 ( 6.468 3.820 -1.773) 7.718 9.213 ( -3.342 -4.575 1.628) 5.895 9.257 ( -3.018 -4.255 -2.927) 5.982 9.568 ( 3.204 -2.753 6.199) 7.501 9.678 ( 2.642 -2.531 -4.670) 5.933 9.865 ( 1.049 -3.524 5.002) 6.208 9.963 ( -0.671 -2.670 -4.653) 5.406 ======================= Grid point 137 (48/63) ======================= q-point: ( 0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 12.559 6.830 11.493) 18.343 1.491 ( 0.599 4.274 4.196) 6.019 1.532 ( 8.139 5.588 5.685) 11.393 1.640 ( -6.040 5.970 -7.481) 11.318 1.729 ( -3.759 7.760 -1.456) 8.744 1.839 ( -13.738 9.235 10.247) 19.469 1.909 ( 6.043 10.788 -15.041) 19.471 2.073 ( -9.935 8.574 -12.184) 17.908 2.442 ( 8.982 6.191 11.110) 15.571 2.583 ( -3.467 0.986 7.259) 8.105 2.629 ( 6.651 2.478 -2.434) 7.504 2.642 ( 10.125 3.767 -0.001) 10.803 2.765 ( 7.109 6.940 4.416) 10.872 2.797 ( -1.006 3.186 -1.295) 3.583 2.823 ( 3.057 8.368 0.258) 8.913 2.847 ( 1.722 7.712 0.053) 7.902 3.082 ( -3.652 4.751 -4.907) 7.745 3.170 ( 16.332 5.280 -12.501) 21.234 3.290 ( -20.398 4.464 13.457) 24.841 3.535 ( -18.508 2.049 -11.027) 21.641 4.113 ( 8.964 -3.700 7.980) 12.559 4.241 ( 4.604 -4.195 1.270) 6.357 4.278 ( -0.921 -4.105 2.154) 4.726 4.425 ( -7.526 -5.171 -6.800) 11.385 5.091 ( 1.406 5.496 4.938) 7.521 5.119 ( -1.442 5.667 4.519) 7.390 5.203 ( 1.094 5.499 -4.605) 7.255 5.227 ( -1.453 6.028 -4.684) 7.771 5.607 ( 5.094 1.505 3.659) 6.450 5.655 ( 2.530 1.499 -0.741) 3.033 5.895 ( -2.980 -1.282 6.100) 6.909 5.987 ( -10.113 -1.998 -1.932) 10.488 6.503 ( 1.791 -2.118 -0.150) 2.778 6.543 ( -2.035 -3.533 -3.727) 5.524 6.604 ( 0.758 -0.898 1.005) 1.547 6.640 ( -3.005 -0.578 -3.168) 4.404 7.149 ( 1.183 3.046 1.899) 3.780 7.159 ( 0.494 3.581 1.235) 3.820 7.277 ( 3.774 -4.017 0.118) 5.513 7.317 ( -0.236 -2.151 -3.431) 4.057 7.382 ( 5.228 -3.844 3.928) 7.585 7.391 ( 5.172 -3.888 3.328) 7.276 7.510 ( 0.462 -0.380 1.967) 2.056 7.558 ( -1.767 -0.141 -2.034) 2.698 7.640 ( 0.498 5.091 -0.757) 5.171 7.658 ( -0.134 6.786 -1.252) 6.902 7.792 ( -1.279 -6.563 1.227) 6.798 7.845 ( -4.123 -4.372 -3.309) 6.860 8.029 ( -0.615 5.069 4.701) 6.941 8.051 ( -3.243 3.809 2.764) 5.715 8.137 ( -0.197 6.594 -4.435) 7.949 8.150 ( -1.325 5.472 -5.390) 7.794 8.747 ( 3.962 5.830 0.098) 7.049 8.765 ( 2.395 5.422 -1.596) 6.138 9.169 ( -0.708 -5.369 -0.087) 5.416 9.193 ( -2.923 -5.008 -2.570) 6.342 9.638 ( 3.734 -1.939 5.428) 6.867 9.692 ( -1.454 -1.627 0.590) 2.260 9.898 ( 2.391 -4.479 0.529) 5.105 9.940 ( -1.770 -3.800 -3.046) 5.182 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 16.149 12.589) 20.476 1.453 ( 0.000 14.850 14.902) 21.038 1.578 ( 0.000 6.987 -13.592) 15.282 1.807 ( 0.000 9.194 -17.935) 20.154 1.980 ( 0.000 4.307 9.319) 10.266 2.149 ( 0.000 3.451 -7.291) 8.067 2.339 ( 0.000 5.439 5.573) 7.787 2.430 ( 0.000 9.411 1.820) 9.586 2.470 ( 0.000 9.997 5.229) 11.282 2.534 ( 0.000 22.436 5.546) 23.111 2.619 ( 0.000 12.512 2.111) 12.689 2.747 ( 0.000 11.455 1.089) 11.507 2.778 ( 0.000 9.620 -1.240) 9.700 2.898 ( 0.000 14.442 -8.502) 16.759 2.910 ( 0.000 1.460 1.545) 2.125 2.944 ( 0.000 14.418 -8.685) 16.832 3.169 ( 0.000 4.262 6.896) 8.107 3.328 ( 0.000 2.494 -9.223) 9.554 3.694 ( 0.000 0.080 2.642) 2.643 3.746 ( 0.000 3.995 -2.276) 4.597 4.051 ( 0.000 0.526 0.924) 1.063 4.058 ( 0.000 -3.247 0.377) 3.268 4.220 ( 0.000 -5.613 10.895) 12.256 4.400 ( 0.000 -9.385 -7.330) 11.908 5.198 ( 0.000 8.176 4.904) 9.534 5.300 ( 0.000 6.859 -5.267) 8.648 5.315 ( 0.000 8.634 7.633) 11.524 5.463 ( 0.000 8.115 -6.774) 10.571 5.563 ( 0.000 4.916 -0.115) 4.917 5.571 ( 0.000 5.377 -0.496) 5.400 6.039 ( 0.000 -7.839 6.588) 10.240 6.154 ( 0.000 -12.731 -3.835) 13.296 6.427 ( 0.000 0.912 -1.630) 1.868 6.437 ( 0.000 -1.389 -1.079) 1.759 6.572 ( 0.000 -3.271 8.862) 9.446 6.736 ( 0.000 -2.956 -6.884) 7.492 6.926 ( 0.000 0.642 2.249) 2.338 7.005 ( 0.000 -0.349 -5.357) 5.368 7.115 ( 0.000 -0.569 0.514) 0.767 7.121 ( 0.000 -1.833 0.176) 1.841 7.343 ( 0.000 0.775 3.263) 3.354 7.354 ( 0.000 4.855 2.064) 5.276 7.485 ( 0.000 -2.479 3.235) 4.075 7.564 ( 0.000 0.975 -3.497) 3.630 7.802 ( 0.000 5.647 0.434) 5.664 7.840 ( 0.000 7.680 -2.798) 8.174 7.876 ( 0.000 -1.281 0.548) 1.394 7.916 ( 0.000 -0.965 -2.924) 3.079 8.083 ( 0.000 -1.333 8.306) 8.412 8.218 ( 0.000 0.261 -4.749) 4.757 8.350 ( 0.000 7.057 -1.096) 7.141 8.354 ( 0.000 4.173 -0.977) 4.286 8.683 ( 0.000 6.576 0.744) 6.618 8.698 ( 0.000 6.221 -0.772) 6.269 9.152 ( 0.000 -6.438 1.023) 6.519 9.188 ( 0.000 -4.551 -2.987) 5.444 9.459 ( 0.000 -3.919 4.877) 6.257 9.566 ( 0.000 -3.705 -5.682) 6.783 9.787 ( 0.000 -3.976 6.959) 8.015 9.911 ( 0.000 -3.443 -5.559) 6.538 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 6.491 15.481 10.557) 19.830 1.538 ( 7.845 13.129 10.597) 18.607 1.589 ( 1.685 8.449 -8.141) 11.853 1.848 ( 1.952 8.896 -15.083) 17.620 1.965 ( -1.944 6.616 7.106) 9.901 2.094 ( -2.711 7.063 -6.050) 9.687 2.278 ( -10.232 9.166 6.639) 15.257 2.388 ( -3.650 5.470 -3.939) 7.666 2.481 ( 4.268 4.342 0.920) 6.158 2.531 ( -3.421 8.296 -4.662) 10.112 2.656 ( 10.806 25.025 14.883) 31.057 2.778 ( 0.199 7.275 3.748) 8.186 2.863 ( 3.678 8.008 0.078) 8.812 2.887 ( -0.327 5.894 0.353) 5.913 2.915 ( 2.932 10.764 -2.901) 11.527 3.011 ( 6.690 16.587 -12.230) 21.667 3.159 ( -0.196 6.405 5.065) 8.168 3.296 ( -2.781 6.147 -8.318) 10.710 3.707 ( -7.176 6.259 3.029) 9.993 3.747 ( 2.018 -0.144 -0.801) 2.176 3.961 ( -5.007 -1.692 4.355) 6.848 4.037 ( 0.617 -4.187 -2.330) 4.831 4.224 ( -1.127 -6.102 7.745) 9.924 4.373 ( -3.086 -9.448 -6.527) 11.891 5.207 ( 0.909 8.017 4.655) 9.314 5.287 ( -1.387 7.439 1.503) 7.715 5.319 ( 0.521 7.644 0.250) 7.666 5.419 ( -3.115 7.560 -4.668) 9.415 5.588 ( 2.616 3.978 1.711) 5.059 5.634 ( 4.825 5.608 -2.983) 7.976 5.961 ( -6.409 -4.725 6.660) 10.380 6.073 ( -6.998 -8.095 -3.688) 11.318 6.440 ( 1.491 -0.591 0.341) 1.640 6.477 ( 1.703 -2.123 -3.040) 4.080 6.565 ( 0.303 -1.738 5.812) 6.074 6.688 ( -3.553 -1.580 -6.203) 7.321 7.023 ( 8.679 -1.811 4.009) 9.730 7.113 ( 6.771 -2.709 -2.903) 7.849 7.140 ( 4.710 -0.157 -0.053) 4.713 7.154 ( 3.245 -2.162 -0.780) 3.977 7.316 ( -1.504 0.899 4.149) 4.504 7.364 ( -0.582 2.262 -0.365) 2.364 7.486 ( 0.803 -1.041 4.172) 4.375 7.573 ( 0.225 0.608 -3.547) 3.606 7.755 ( -4.668 1.505 0.998) 5.005 7.794 ( -5.111 0.902 -1.201) 5.327 7.839 ( -1.603 5.378 -0.559) 5.640 7.893 ( -2.504 0.978 -4.169) 4.961 8.099 ( 0.860 1.205 5.126) 5.336 8.177 ( -3.597 1.192 -2.712) 4.660 8.302 ( -2.523 6.720 1.303) 7.295 8.334 ( -2.427 6.626 -2.073) 7.355 8.757 ( 5.458 3.931 0.026) 6.726 8.766 ( 6.746 5.768 -0.815) 8.913 9.098 ( -4.112 -6.223 1.600) 7.629 9.160 ( -3.349 -4.391 -4.663) 7.228 9.501 ( 4.040 -3.624 6.147) 8.200 9.613 ( 3.855 -3.702 -5.110) 7.394 9.777 ( -0.908 -4.853 6.387) 8.073 9.893 ( -1.881 -4.030 -5.257) 6.886 ======================= Grid point 142 (51/63) ======================= q-point: ( 0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 9.393 12.474 6.629) 16.964 1.614 ( -0.518 8.433 -2.056) 8.695 1.703 ( 7.220 10.680 4.850) 13.774 1.801 ( -5.389 9.595 -6.269) 12.665 1.934 ( 1.041 11.644 6.123) 13.197 2.061 ( -10.889 12.153 8.781) 18.530 2.129 ( 5.487 10.232 -12.031) 16.720 2.262 ( -7.883 8.958 -10.471) 15.876 2.524 ( 2.753 3.202 3.468) 5.464 2.567 ( 0.982 -0.451 1.608) 1.937 2.733 ( 0.208 5.420 -1.072) 5.529 2.800 ( -4.374 4.633 -5.755) 8.586 2.945 ( 12.671 15.485 8.960) 21.923 2.972 ( 4.991 11.299 1.439) 12.436 3.021 ( 5.599 11.952 0.866) 13.227 3.065 ( -1.133 14.561 1.398) 14.672 3.209 ( 2.203 7.290 -0.334) 7.623 3.308 ( 7.369 9.199 -6.074) 13.259 3.457 ( -14.004 12.083 5.978) 19.439 3.606 ( -14.193 5.370 -6.963) 16.696 4.012 ( 7.619 -6.109 7.137) 12.096 4.122 ( 3.291 -7.366 1.476) 8.201 4.167 ( -1.534 -6.580 0.404) 6.768 4.281 ( -6.486 -8.896 -5.744) 12.417 5.229 ( 1.324 7.623 4.115) 8.763 5.257 ( -1.628 7.382 3.573) 8.361 5.335 ( 1.261 7.222 -2.645) 7.794 5.368 ( -2.217 7.174 -3.588) 8.322 5.654 ( 4.105 3.160 3.545) 6.277 5.705 ( 0.787 3.385 -0.456) 3.506 5.869 ( -1.049 -1.051 2.591) 2.986 5.939 ( -6.473 -2.565 -3.060) 7.605 6.463 ( 0.995 -1.297 -0.077) 1.637 6.481 ( -0.745 -2.057 -1.395) 2.595 6.593 ( 2.019 -0.231 0.257) 2.048 6.632 ( -2.300 -0.197 -3.335) 4.056 7.159 ( 3.798 -2.409 3.921) 5.967 7.179 ( 2.221 -2.522 3.563) 4.898 7.227 ( 4.359 -1.205 0.605) 4.563 7.290 ( -0.461 -0.515 -2.748) 2.834 7.303 ( 5.444 -2.762 2.080) 6.449 7.344 ( 0.330 -0.857 0.360) 0.987 7.507 ( 0.387 -0.198 2.203) 2.245 7.536 ( -3.675 -2.635 -0.102) 4.523 7.683 ( -1.538 -1.971 -2.631) 3.629 7.701 ( -3.685 -2.433 -2.189) 4.929 7.814 ( -0.566 8.175 -2.197) 8.484 7.836 ( -2.771 5.800 -4.152) 7.652 8.104 ( 0.082 3.359 2.913) 4.447 8.120 ( -1.920 3.216 1.314) 3.970 8.276 ( -0.206 6.654 0.317) 6.665 8.291 ( -1.698 6.733 -1.190) 7.045 8.861 ( 4.803 3.696 1.086) 6.157 8.884 ( 3.978 5.943 -0.887) 7.206 9.032 ( -1.729 -7.700 -0.365) 7.900 9.077 ( -4.806 -5.016 -4.549) 8.304 9.588 ( 4.607 -2.944 5.999) 8.117 9.652 ( -1.158 -2.261 1.206) 2.812 9.781 ( 2.342 -6.775 0.364) 7.178 9.843 ( -3.312 -5.516 -4.159) 7.661 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.000 19.385 3.912) 19.776 1.747 ( 0.000 13.717 -0.616) 13.731 1.796 ( 0.000 14.065 4.082) 14.646 2.006 ( 0.000 9.995 -12.151) 15.734 2.081 ( 0.000 5.363 7.624) 9.321 2.223 ( 0.000 3.859 -6.539) 7.593 2.454 ( 0.000 6.078 3.538) 7.033 2.546 ( 0.000 5.555 -5.038) 7.499 2.640 ( 0.000 7.043 5.944) 9.216 2.772 ( 0.000 6.695 -6.311) 9.201 2.838 ( 0.000 -0.263 1.358) 1.383 2.880 ( 0.000 1.780 -1.305) 2.207 2.987 ( 0.000 8.041 6.803) 10.533 3.078 ( 0.000 7.990 -2.428) 8.351 3.165 ( 0.000 27.451 11.137) 29.624 3.307 ( 0.000 8.429 3.511) 9.131 3.377 ( 0.000 20.327 -9.710) 22.527 3.404 ( 0.000 3.748 -6.979) 7.922 3.697 ( 0.000 0.038 6.226) 6.226 3.810 ( 0.000 2.011 -5.195) 5.571 4.032 ( 0.000 1.670 3.561) 3.933 4.076 ( 0.000 1.146 -1.631) 1.993 4.130 ( 0.000 -1.508 4.824) 5.054 4.214 ( 0.000 -6.880 -3.114) 7.552 5.370 ( 0.000 8.674 3.501) 9.354 5.440 ( 0.000 6.679 -3.432) 7.509 5.480 ( 0.000 7.454 7.365) 10.479 5.564 ( 0.000 3.485 0.013) 3.485 5.690 ( 0.000 6.105 -1.848) 6.379 5.711 ( 0.000 8.101 -4.588) 9.310 5.900 ( 0.000 -5.894 1.540) 6.092 5.929 ( 0.000 -9.358 -1.104) 9.423 6.455 ( 0.000 2.545 -0.690) 2.637 6.459 ( 0.000 2.123 -1.639) 2.682 6.522 ( 0.000 -1.730 6.408) 6.638 6.670 ( 0.000 -3.324 -7.817) 8.494 6.972 ( 0.000 3.572 1.773) 3.988 7.018 ( 0.000 1.099 -2.922) 3.122 7.104 ( 0.000 0.649 2.233) 2.325 7.120 ( 0.000 1.204 0.263) 1.232 7.319 ( 0.000 -2.750 5.891) 6.502 7.393 ( 0.000 -2.317 -0.951) 2.505 7.470 ( 0.000 1.974 4.345) 4.773 7.588 ( 0.000 0.910 -4.893) 4.977 7.782 ( 0.000 -5.008 1.418) 5.204 7.847 ( 0.000 -4.911 -2.959) 5.734 7.938 ( 0.000 4.859 -0.844) 4.932 7.970 ( 0.000 4.095 -3.809) 5.592 8.058 ( 0.000 -0.869 7.790) 7.839 8.206 ( 0.000 -1.337 -5.825) 5.977 8.429 ( 0.000 3.929 2.518) 4.666 8.471 ( 0.000 5.148 -2.340) 5.655 8.779 ( 0.000 2.036 2.287) 3.062 8.803 ( 0.000 4.479 0.095) 4.480 9.031 ( 0.000 -5.175 2.094) 5.582 9.109 ( 0.000 -3.503 -5.429) 6.461 9.401 ( 0.000 -1.466 5.080) 5.287 9.508 ( 0.000 -1.731 -5.679) 5.937 9.707 ( 0.000 -3.739 7.430) 8.317 9.838 ( 0.000 -3.746 -5.770) 6.879 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 3.923 18.020 3.397) 18.752 1.777 ( 2.429 12.035 -4.693) 13.144 1.845 ( 4.848 14.365 8.327) 17.297 2.037 ( 1.250 9.442 -9.977) 13.793 2.097 ( 1.866 6.497 6.318) 9.253 2.224 ( 1.592 5.978 -6.029) 8.638 2.443 ( -3.561 7.220 3.282) 8.694 2.491 ( -4.806 6.133 -0.880) 7.841 2.577 ( -1.814 4.990 0.338) 5.320 2.670 ( -6.373 4.440 -7.089) 10.516 2.858 ( -3.199 2.303 4.177) 5.743 2.908 ( 1.977 2.748 -0.581) 3.435 3.043 ( 4.539 8.508 3.685) 10.323 3.109 ( 4.890 8.603 -2.758) 10.273 3.230 ( 5.141 22.370 7.675) 24.202 3.314 ( 1.821 9.321 5.037) 10.750 3.383 ( -0.293 15.065 -5.833) 16.157 3.455 ( 4.803 9.878 -7.383) 13.235 3.733 ( 3.636 -0.557 5.493) 6.611 3.833 ( 1.654 3.536 -4.477) 5.940 3.965 ( -7.153 2.603 2.879) 8.138 3.993 ( -6.032 2.750 1.332) 6.762 4.112 ( -2.766 -4.233 2.390) 5.593 4.184 ( -3.183 -7.172 -3.295) 8.510 5.373 ( 0.232 8.218 3.185) 8.817 5.426 ( -1.538 6.313 -0.518) 6.518 5.472 ( -0.160 7.162 3.198) 7.845 5.541 ( -2.274 4.947 -1.601) 5.675 5.683 ( 1.271 5.399 2.150) 5.949 5.761 ( 2.666 6.162 -4.244) 7.943 5.875 ( -1.897 -3.629 1.548) 4.378 5.920 ( -0.993 -6.581 -2.249) 7.025 6.456 ( 0.375 2.000 -0.122) 2.039 6.470 ( 0.465 1.242 -0.386) 1.382 6.542 ( 2.151 -0.702 3.367) 4.057 6.652 ( -1.410 -2.015 -6.369) 6.827 7.020 ( 4.631 1.127 2.687) 5.471 7.081 ( 4.849 -0.579 -3.116) 5.793 7.112 ( 1.262 -1.230 3.164) 3.622 7.147 ( 2.920 0.367 -0.082) 2.944 7.305 ( -1.088 -1.545 4.927) 5.277 7.371 ( -1.702 -1.421 -0.794) 2.355 7.498 ( 2.107 1.701 3.043) 4.073 7.571 ( -3.347 -1.489 -0.558) 3.705 7.700 ( -5.034 -3.702 -2.252) 6.641 7.755 ( -6.862 -4.389 -4.138) 9.137 7.963 ( 1.213 6.273 -1.525) 6.569 7.982 ( 0.401 5.620 -3.311) 6.535 8.113 ( 4.298 -0.288 5.787) 7.214 8.201 ( -0.437 0.771 -2.752) 2.891 8.402 ( -2.315 3.583 2.991) 5.210 8.443 ( -3.100 4.183 -1.529) 5.426 8.784 ( 2.039 -0.348 2.905) 3.566 8.858 ( 3.597 2.236 -3.996) 5.823 8.997 ( -2.305 -2.878 4.339) 5.694 9.106 ( -1.154 -1.464 -6.326) 6.595 9.439 ( 3.797 -2.164 5.555) 7.068 9.544 ( 3.603 -2.786 -5.123) 6.855 9.685 ( -2.289 -4.042 7.142) 8.519 9.810 ( -2.827 -4.058 -5.543) 7.428 ======================= Grid point 147 (54/63) ======================= q-point: ( 0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 4.655 14.312 2.484) 15.254 1.818 ( 0.862 11.395 -0.988) 11.470 1.929 ( 3.447 11.153 2.011) 11.846 2.001 ( -4.140 9.885 -5.218) 11.920 2.167 ( 5.908 11.143 7.253) 14.550 2.291 ( -2.346 8.739 0.185) 9.050 2.321 ( 0.147 10.943 -1.136) 11.003 2.414 ( -4.997 6.567 -4.921) 9.608 2.576 ( 0.968 2.621 -0.892) 2.933 2.600 ( -1.627 3.461 -3.003) 4.863 2.811 ( -0.007 2.464 0.408) 2.498 2.866 ( -4.374 2.736 -4.319) 6.728 3.152 ( 5.798 7.161 4.683) 10.336 3.208 ( 1.898 9.424 1.022) 9.668 3.282 ( 2.351 8.003 0.957) 8.396 3.347 ( -2.861 9.784 -3.724) 10.853 3.445 ( 10.427 19.281 7.226) 23.080 3.557 ( 4.190 14.426 -3.538) 15.433 3.736 ( -8.499 12.629 2.230) 15.385 3.758 ( -6.014 9.798 0.562) 11.510 3.897 ( 3.995 -3.229 4.247) 6.665 3.968 ( 1.906 -6.681 -0.015) 6.948 4.036 ( -3.230 -5.293 -0.525) 6.223 4.099 ( -5.407 -7.271 -3.903) 9.866 5.379 ( 0.431 7.128 2.357) 7.520 5.395 ( -1.363 6.281 1.548) 6.611 5.478 ( 0.710 6.781 -0.142) 6.819 5.500 ( -1.674 6.061 -1.454) 6.453 5.725 ( 2.743 3.726 4.141) 6.209 5.773 ( -1.713 2.709 1.989) 3.772 5.863 ( 1.079 0.590 -3.140) 3.372 5.894 ( -1.707 -1.771 -3.798) 4.525 6.465 ( 0.477 1.496 0.320) 1.603 6.472 ( -0.229 1.257 0.020) 1.278 6.590 ( 2.499 -0.163 -0.280) 2.519 6.626 ( -1.408 -0.537 -3.351) 3.675 7.104 ( 2.447 -2.511 2.738) 4.449 7.119 ( 0.439 -3.046 2.651) 4.062 7.170 ( 4.790 -3.434 4.741) 7.564 7.249 ( 3.012 -2.662 1.519) 4.297 7.281 ( 1.180 -1.272 -0.854) 1.933 7.350 ( -0.801 0.846 -2.946) 3.168 7.468 ( -4.629 -3.129 1.557) 5.800 7.483 ( -4.678 -2.387 -0.231) 5.257 7.648 ( 0.140 -1.373 -3.253) 3.533 7.675 ( -1.834 -0.353 -5.113) 5.443 7.977 ( 0.509 7.893 -2.084) 8.179 7.985 ( -0.184 7.680 -2.669) 8.132 8.176 ( 1.944 3.392 2.894) 4.864 8.193 ( -0.411 4.026 1.068) 4.185 8.363 ( -1.085 1.426 2.494) 3.071 8.379 ( -2.684 1.457 0.675) 3.127 8.842 ( 3.398 -3.319 1.752) 5.063 8.892 ( -1.095 -5.103 -2.232) 5.676 8.991 ( 2.627 4.081 0.736) 4.909 9.059 ( -3.533 1.831 -5.115) 6.480 9.527 ( 5.010 -2.973 5.935) 8.316 9.608 ( -1.626 -1.996 2.757) 3.772 9.646 ( 2.702 -6.216 -0.921) 6.840 9.736 ( -4.791 -4.797 -4.938) 8.388 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 0.000 11.868 0.256) 11.871 2.008 ( 0.000 15.726 -0.326) 15.729 2.073 ( 0.000 12.382 4.533) 13.186 2.182 ( 0.000 6.906 -5.994) 9.144 2.183 ( 0.000 4.987 6.072) 7.858 2.302 ( 0.000 4.316 -5.714) 7.160 2.574 ( 0.000 5.535 1.780) 5.814 2.649 ( 0.000 3.630 -5.606) 6.678 2.748 ( 0.000 3.878 2.908) 4.847 2.776 ( 0.000 -1.118 0.592) 1.265 2.906 ( 0.000 1.817 -0.447) 1.871 2.909 ( 0.000 4.674 -1.657) 4.959 3.129 ( 0.000 5.346 5.611) 7.750 3.205 ( 0.000 4.316 -0.123) 4.317 3.399 ( 0.000 -5.071 -0.644) 5.112 3.456 ( 0.000 4.625 -2.314) 5.172 3.529 ( 0.000 1.831 3.289) 3.764 3.624 ( 0.000 4.152 -4.536) 6.150 3.750 ( 0.000 10.758 5.447) 12.058 3.873 ( 0.000 5.367 -6.571) 8.484 4.052 ( 0.000 0.391 3.905) 3.925 4.109 ( 0.000 4.642 -1.790) 4.975 4.255 ( 0.000 13.985 1.612) 14.078 4.265 ( 0.000 10.043 0.654) 10.064 5.519 ( 0.000 5.397 1.338) 5.560 5.547 ( 0.000 3.671 -1.455) 3.948 5.607 ( 0.000 5.005 5.737) 7.613 5.644 ( 0.000 4.714 1.256) 4.878 5.793 ( 0.000 -2.180 -0.178) 2.187 5.800 ( 0.000 -3.836 -0.636) 3.888 5.807 ( 0.000 4.117 -1.271) 4.309 5.853 ( 0.000 5.787 -4.980) 7.634 6.504 ( 0.000 0.255 4.343) 4.350 6.508 ( 0.000 2.664 0.083) 2.666 6.524 ( 0.000 3.545 -1.442) 3.827 6.615 ( 0.000 -1.944 -6.525) 6.808 7.030 ( 0.000 0.311 -0.248) 0.398 7.036 ( 0.000 1.971 -0.343) 2.001 7.152 ( 0.000 3.404 3.998) 5.251 7.175 ( 0.000 4.538 1.113) 4.672 7.255 ( 0.000 -3.166 4.806) 5.755 7.322 ( 0.000 -3.967 -1.066) 4.108 7.506 ( 0.000 1.495 1.785) 2.328 7.575 ( 0.000 -2.978 2.338) 3.786 7.674 ( 0.000 -4.483 -5.944) 7.445 7.729 ( 0.000 -6.409 -4.422) 7.787 7.956 ( 0.000 -4.392 3.646) 5.708 7.990 ( 0.000 -1.002 -0.849) 1.313 8.101 ( 0.000 4.188 1.618) 4.490 8.190 ( 0.000 0.898 -5.345) 5.420 8.511 ( 0.000 4.027 2.597) 4.791 8.555 ( 0.000 3.147 -2.203) 3.841 8.805 ( 0.000 0.989 2.909) 3.073 8.851 ( 0.000 0.753 -0.999) 1.251 8.953 ( 0.000 -2.808 3.003) 4.111 9.035 ( 0.000 -3.924 -4.635) 6.073 9.406 ( 0.000 1.776 4.297) 4.650 9.498 ( 0.000 0.485 -4.805) 4.830 9.646 ( 0.000 -2.295 6.723) 7.104 9.765 ( 0.000 -3.489 -5.318) 6.360 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.814 12.292 0.613) 12.334 2.027 ( 1.679 13.571 -0.865) 13.702 2.100 ( 1.586 9.992 4.271) 10.981 2.202 ( 0.428 6.256 -5.781) 8.529 2.226 ( 5.236 7.140 5.905) 10.643 2.339 ( 4.555 5.823 -5.561) 9.251 2.568 ( -0.687 5.525 1.562) 5.782 2.634 ( -3.615 7.036 -1.827) 8.118 2.666 ( -2.007 3.164 -0.981) 3.873 2.717 ( -5.000 2.481 -3.044) 6.358 2.906 ( -1.528 2.842 4.414) 5.468 2.966 ( 0.964 2.566 -1.542) 3.145 3.160 ( 3.188 3.247 3.475) 5.726 3.216 ( 3.042 2.588 -2.005) 4.469 3.387 ( -1.077 -1.710 5.210) 5.589 3.500 ( 2.554 2.932 -2.852) 4.822 3.550 ( 3.085 -1.195 0.002) 3.308 3.606 ( -0.695 2.404 -3.419) 4.237 3.789 ( 3.119 8.334 4.249) 9.861 3.879 ( -0.397 1.075 -4.052) 4.211 4.029 ( -1.449 6.488 2.258) 7.021 4.073 ( -3.629 5.728 -1.768) 7.008 4.226 ( -3.516 13.056 1.740) 13.633 4.235 ( -2.292 13.256 0.868) 13.481 5.515 ( -0.397 5.280 1.072) 5.402 5.531 ( -1.358 4.021 -0.101) 4.245 5.597 ( -0.296 5.574 3.281) 6.475 5.647 ( -0.892 5.922 -0.573) 6.017 5.784 ( -0.120 2.714 1.784) 3.250 5.802 ( 0.487 -1.681 0.875) 1.956 5.816 ( 1.324 -1.737 -0.507) 2.242 5.885 ( 1.787 3.775 -6.023) 7.329 6.503 ( 0.344 2.175 2.813) 3.573 6.516 ( 0.336 2.458 1.222) 2.765 6.545 ( 2.152 1.670 -1.383) 3.055 6.614 ( -0.044 -1.455 -5.660) 5.844 7.040 ( 1.705 0.131 2.028) 2.653 7.076 ( 2.747 0.406 -1.024) 2.959 7.111 ( -2.731 0.287 2.675) 3.833 7.146 ( -2.232 -0.656 0.482) 2.376 7.279 ( 0.790 -0.730 4.891) 5.008 7.347 ( 2.154 -0.307 -1.024) 2.405 7.504 ( -6.308 -4.837 4.368) 9.070 7.526 ( -0.007 0.931 0.442) 1.030 7.624 ( -4.559 -4.434 -4.723) 7.922 7.674 ( -1.014 -2.479 -7.892) 8.334 8.043 ( 6.680 -2.817 2.299) 7.606 8.062 ( 5.208 1.929 -1.185) 5.679 8.112 ( 1.586 3.362 3.105) 4.844 8.198 ( 0.909 -0.047 -3.867) 3.973 8.460 ( -4.958 2.510 3.110) 6.368 8.505 ( -5.393 2.299 -1.682) 6.099 8.785 ( 0.410 0.898 3.167) 3.317 8.863 ( -0.836 -0.270 -4.144) 4.236 8.977 ( 3.290 -0.563 4.348) 5.481 9.070 ( 2.022 -2.547 -4.729) 5.739 9.424 ( 1.995 0.701 4.337) 4.825 9.510 ( 1.478 -0.628 -4.180) 4.478 9.622 ( -2.403 -2.239 6.244) 7.056 9.734 ( -3.120 -3.518 -5.056) 6.904 ======================= Grid point 152 (57/63) ======================= q-point: ( 0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 1.289 10.635 1.509) 10.818 2.050 ( 0.111 10.986 0.644) 11.006 2.129 ( 2.140 8.640 0.059) 8.901 2.177 ( -2.454 7.225 -4.047) 8.637 2.363 ( 7.464 8.400 3.674) 11.823 2.427 ( 2.190 5.797 -3.422) 7.078 2.540 ( -1.884 8.209 2.112) 8.683 2.553 ( -3.117 9.767 1.792) 10.407 2.668 ( 0.269 5.759 -2.618) 6.332 2.678 ( 0.983 4.815 -5.046) 7.044 2.845 ( -1.579 1.279 2.430) 3.167 2.909 ( -5.792 1.563 -3.838) 7.122 3.238 ( 5.082 1.155 6.067) 7.998 3.314 ( 0.797 0.482 3.696) 3.812 3.359 ( 2.622 0.262 0.620) 2.707 3.469 ( -5.185 2.120 -4.549) 7.216 3.651 ( 6.833 -3.522 -0.442) 7.700 3.676 ( 7.008 -1.893 -1.610) 7.436 3.795 ( -4.784 -4.206 1.682) 6.589 3.823 ( -4.678 -1.895 -0.632) 5.086 4.016 ( -0.204 14.332 1.149) 14.379 4.032 ( 0.498 14.717 -0.309) 14.729 4.159 ( -2.014 15.355 1.940) 15.607 4.181 ( -3.029 14.781 -0.107) 15.089 5.508 ( -0.151 5.668 0.633) 5.705 5.512 ( -0.554 5.628 0.508) 5.678 5.598 ( 0.438 5.243 0.910) 5.340 5.617 ( -1.600 5.684 -0.722) 5.949 5.792 ( 0.720 2.072 3.624) 4.236 5.804 ( -0.312 1.339 3.296) 3.572 5.858 ( 2.567 -1.232 -3.191) 4.277 5.895 ( -0.898 1.352 -5.181) 5.429 6.514 ( 0.680 3.027 1.871) 3.623 6.521 ( 0.062 2.992 1.182) 3.218 6.589 ( 2.071 0.357 -1.821) 2.781 6.612 ( -0.387 -0.661 -3.423) 3.508 7.054 ( -1.484 -2.817 3.500) 4.732 7.059 ( -1.505 -2.743 3.027) 4.353 7.116 ( 4.231 -1.751 2.997) 5.473 7.202 ( 5.283 -1.845 -3.343) 6.518 7.230 ( -4.058 -3.455 3.903) 6.606 7.350 ( -5.261 -1.853 -6.261) 8.385 7.428 ( -0.798 -0.804 1.774) 2.105 7.443 ( -2.714 -0.985 -0.369) 2.910 7.636 ( 2.820 0.371 -1.941) 3.443 7.670 ( -0.600 0.186 -4.944) 4.984 8.116 ( 1.459 5.812 -0.912) 6.062 8.126 ( 1.079 5.395 -2.079) 5.881 8.203 ( 6.900 -1.212 4.266) 8.202 8.248 ( 5.032 -0.827 -0.453) 5.119 8.341 ( -7.018 -1.041 3.451) 7.889 8.376 ( -7.359 0.151 -0.394) 7.371 8.815 ( 1.932 0.722 1.248) 2.411 8.843 ( -1.090 -0.007 -1.075) 1.531 9.041 ( 2.955 0.740 0.088) 3.047 9.081 ( -0.968 -0.248 -3.421) 3.564 9.480 ( 3.642 -1.436 4.556) 6.007 9.543 ( -1.083 -3.393 2.070) 4.120 9.579 ( 1.209 -1.326 -0.463) 1.853 9.656 ( -4.771 -3.254 -4.327) 7.216 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.000 5.516 2.424) 6.026 2.233 ( 0.000 4.755 2.367) 5.311 2.241 ( 0.000 5.787 -2.496) 6.302 2.268 ( 0.000 3.237 -1.252) 3.471 2.326 ( 0.000 8.698 3.611) 9.418 2.409 ( 0.000 5.886 -4.270) 7.271 2.664 ( 0.000 3.544 -0.535) 3.585 2.664 ( 0.000 0.109 -0.554) 0.565 2.821 ( 0.000 3.837 0.442) 3.863 2.827 ( 0.000 4.404 -0.526) 4.435 2.955 ( 0.000 2.527 1.294) 2.839 2.978 ( 0.000 2.263 -1.437) 2.681 3.192 ( 0.000 0.368 4.602) 4.616 3.204 ( 0.000 -6.647 7.634) 10.122 3.294 ( 0.000 -1.335 -5.915) 6.064 3.353 ( 0.000 -9.101 -6.392) 11.121 3.563 ( 0.000 2.199 5.349) 5.784 3.641 ( 0.000 -0.887 -1.630) 1.856 3.962 ( 0.000 7.698 -2.573) 8.116 3.989 ( 0.000 5.390 -5.000) 7.352 4.127 ( 0.000 5.547 4.633) 7.228 4.201 ( 0.000 4.027 -2.924) 4.977 4.525 ( 0.000 13.654 3.673) 14.140 4.558 ( 0.000 13.734 0.151) 13.735 5.581 ( 0.000 1.342 0.535) 1.444 5.596 ( 0.000 1.637 -1.127) 1.987 5.646 ( 0.000 -0.267 1.713) 1.733 5.685 ( 0.000 -1.927 -2.091) 2.843 5.793 ( 0.000 4.080 2.992) 5.060 5.827 ( 0.000 4.842 2.981) 5.686 5.893 ( 0.000 3.439 -2.198) 4.082 5.943 ( 0.000 3.085 -3.551) 4.704 6.522 ( 0.000 1.550 1.793) 2.370 6.555 ( 0.000 1.772 0.726) 1.915 6.587 ( 0.000 2.291 -1.559) 2.771 6.596 ( 0.000 -0.100 -4.169) 4.170 7.042 ( 0.000 0.950 0.088) 0.954 7.050 ( 0.000 -0.068 -0.270) 0.279 7.198 ( 0.000 -0.205 5.227) 5.231 7.204 ( 0.000 -1.830 2.106) 2.790 7.260 ( 0.000 -0.837 1.132) 1.408 7.286 ( 0.000 5.777 0.515) 5.800 7.470 ( 0.000 -6.171 7.153) 9.447 7.548 ( 0.000 2.973 -0.867) 3.097 7.603 ( 0.000 -5.866 -5.642) 8.139 7.629 ( 0.000 -0.678 -9.005) 9.031 7.846 ( 0.000 -6.013 3.285) 6.852 7.905 ( 0.000 -6.243 -2.246) 6.635 8.184 ( 0.000 3.809 2.323) 4.461 8.235 ( 0.000 2.501 -2.427) 3.486 8.580 ( 0.000 2.633 0.893) 2.781 8.600 ( 0.000 1.483 -1.418) 2.052 8.825 ( 0.000 1.003 2.344) 2.549 8.852 ( 0.000 -0.417 0.523) 0.669 8.911 ( 0.000 -1.366 1.429) 1.976 8.958 ( 0.000 -3.494 -2.726) 4.432 9.456 ( 0.000 2.831 2.651) 3.879 9.515 ( 0.000 0.905 -3.041) 3.173 9.615 ( 0.000 -0.845 4.466) 4.546 9.699 ( 0.000 -3.130 -3.961) 5.048 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.299 5.550 2.253) 5.997 2.226 ( -0.626 5.723 2.478) 6.268 2.251 ( 0.880 5.316 -2.164) 5.807 2.279 ( 0.763 3.533 -1.411) 3.881 2.397 ( 6.576 8.253 2.115) 10.762 2.455 ( 4.847 5.292 -3.450) 7.962 2.662 ( 0.101 3.425 -0.022) 3.426 2.675 ( 1.507 1.548 -1.128) 2.437 2.786 ( -2.206 6.674 1.286) 7.146 2.817 ( -1.091 5.955 -1.820) 6.321 2.958 ( -1.031 1.960 2.715) 3.503 3.001 ( -0.006 0.941 -1.695) 1.939 3.166 ( 0.781 -3.055 3.771) 4.916 3.231 ( -1.546 -0.338 1.521) 2.194 3.263 ( 1.016 -7.827 1.604) 8.054 3.394 ( 2.287 -8.905 -5.895) 10.922 3.558 ( -0.053 1.813 3.195) 3.674 3.618 ( -1.349 -0.383 -1.276) 1.896 3.885 ( -7.151 2.416 -1.228) 7.648 3.916 ( -5.619 2.064 -3.715) 7.045 4.216 ( 6.576 9.377 1.234) 11.519 4.244 ( 3.967 8.880 -1.278) 9.810 4.504 ( -2.146 13.688 3.539) 14.300 4.537 ( -2.207 13.559 0.040) 13.737 5.584 ( 0.721 2.312 0.313) 2.442 5.595 ( 0.390 2.562 -0.757) 2.700 5.681 ( 2.354 1.457 1.751) 3.276 5.717 ( 2.758 -1.061 -1.837) 3.480 5.786 ( -0.220 2.409 1.465) 2.828 5.806 ( -2.254 4.323 0.828) 4.945 5.876 ( -1.104 3.021 1.342) 3.485 5.944 ( -0.617 1.714 -3.808) 4.221 6.532 ( 1.015 1.365 1.975) 2.606 6.562 ( 0.661 1.820 0.883) 2.128 6.584 ( 0.405 0.969 -1.901) 2.172 6.610 ( 0.857 1.100 -3.538) 3.803 7.034 ( -0.410 -0.208 2.332) 2.377 7.079 ( 1.992 -1.319 -2.224) 3.264 7.104 ( -4.624 0.491 3.111) 5.595 7.138 ( -6.102 -0.181 0.228) 6.109 7.269 ( -0.536 -0.437 5.438) 5.482 7.360 ( 2.573 1.051 -2.332) 3.628 7.401 ( -3.626 -4.965 4.404) 7.563 7.492 ( -7.657 -4.378 -4.646) 9.969 7.599 ( 3.879 2.841 -1.074) 4.927 7.660 ( 2.793 1.106 -6.566) 7.221 7.936 ( 7.514 -6.473 4.169) 10.759 8.002 ( 7.493 -6.209 -2.395) 10.022 8.196 ( 1.261 3.974 2.359) 4.790 8.240 ( 0.402 2.863 -1.689) 3.348 8.504 ( -6.593 1.818 1.643) 7.033 8.539 ( -6.361 1.006 -1.750) 6.674 8.817 ( 1.266 2.085 2.628) 3.586 8.869 ( -0.277 0.878 -2.082) 2.276 8.952 ( 4.424 -1.840 2.548) 5.427 9.007 ( 3.257 -3.485 -2.604) 5.435 9.457 ( 0.290 2.241 2.595) 3.441 9.512 ( -0.172 0.469 -2.603) 2.651 9.592 ( -2.202 -0.856 3.966) 4.616 9.669 ( -2.945 -3.018 -3.707) 5.615 ======================= Grid point 157 (60/63) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.434 5.641 2.643) 6.244 2.213 ( -0.682 5.965 2.942) 6.686 2.268 ( 0.888 4.218 -3.048) 5.280 2.282 ( -0.441 4.025 -2.967) 5.019 2.521 ( 4.537 7.480 0.546) 8.765 2.541 ( 2.306 5.888 -1.634) 6.531 2.689 ( 3.461 6.194 2.159) 7.417 2.736 ( 1.687 5.352 -1.447) 5.795 2.763 ( 2.461 6.620 1.433) 7.207 2.813 ( 1.710 6.969 -3.311) 7.903 2.877 ( -6.207 2.526 2.735) 7.238 2.933 ( -6.748 1.123 -2.923) 7.439 3.202 ( 2.282 -4.263 4.896) 6.881 3.241 ( -0.247 -6.152 6.264) 8.783 3.290 ( 4.105 -6.564 -0.998) 7.806 3.389 ( -3.969 -9.197 -5.378) 11.370 3.590 ( 5.078 0.297 1.685) 5.358 3.650 ( 4.207 -0.660 -3.561) 5.551 3.739 ( -7.315 -0.622 0.427) 7.354 3.787 ( -7.416 -1.229 -3.352) 8.230 4.324 ( 4.142 13.316 0.863) 13.972 4.333 ( 4.356 13.342 -0.058) 14.035 4.454 ( -2.274 12.851 2.613) 13.310 4.479 ( -3.665 12.691 0.099) 13.210 5.611 ( 1.629 4.665 0.083) 4.942 5.615 ( 1.384 4.606 -0.363) 4.823 5.695 ( -0.364 4.348 1.315) 4.557 5.723 ( -2.825 4.587 -1.273) 5.536 5.796 ( 2.497 -0.355 1.430) 2.900 5.823 ( 2.990 -1.097 -0.559) 3.233 5.853 ( -0.925 1.132 1.638) 2.195 5.907 ( -3.255 -0.320 -2.941) 4.398 6.558 ( 1.498 1.319 1.992) 2.820 6.573 ( 0.118 1.729 1.609) 2.365 6.603 ( 1.322 0.729 -2.213) 2.678 6.619 ( -0.101 1.269 -2.637) 2.928 7.005 ( -1.988 -1.563 3.098) 3.999 7.015 ( -3.373 -1.428 2.195) 4.271 7.092 ( 1.811 -1.101 1.858) 2.819 7.137 ( 0.778 -4.262 -1.311) 4.527 7.205 ( -1.110 0.990 1.072) 1.834 7.298 ( -7.238 -2.027 -6.261) 9.782 7.401 ( 1.440 -2.712 0.235) 3.080 7.421 ( -0.562 -1.908 -1.120) 2.282 7.679 ( 3.566 3.944 -0.206) 5.321 7.705 ( 1.012 3.709 -2.493) 4.583 8.074 ( 6.047 -7.131 3.332) 9.925 8.115 ( 2.671 -7.234 -0.898) 7.764 8.238 ( 3.398 3.692 1.401) 5.210 8.257 ( 1.946 4.149 -0.693) 4.635 8.369 ( -6.219 1.946 1.662) 6.725 8.399 ( -7.350 1.305 -1.243) 7.568 8.851 ( 1.660 2.534 1.224) 3.267 8.868 ( -0.150 2.013 -0.078) 2.020 9.024 ( 2.774 -2.109 -0.046) 3.485 9.047 ( 0.558 -2.860 -1.975) 3.521 9.474 ( 1.598 0.743 2.539) 3.091 9.508 ( -1.020 -0.402 0.542) 1.223 9.556 ( -0.078 -1.022 0.274) 1.061 9.601 ( -3.728 -2.398 -2.889) 5.291 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.000 1.334 1.933) 2.348 2.263 ( 0.000 -0.478 0.549) 0.728 2.310 ( 0.000 2.230 0.245) 2.243 2.325 ( 0.000 0.750 -1.969) 2.107 2.463 ( 0.000 4.388 1.202) 4.550 2.492 ( 0.000 1.550 -1.420) 2.102 2.705 ( 0.000 3.193 1.833) 3.681 2.724 ( 0.000 1.931 -0.071) 1.932 2.888 ( 0.000 2.257 0.272) 2.273 2.894 ( 0.000 1.717 -0.384) 1.760 2.993 ( 0.000 1.081 1.098) 1.541 3.001 ( 0.000 0.149 -0.063) 0.162 3.072 ( 0.000 -3.739 2.482) 4.488 3.105 ( 0.000 -6.126 -0.400) 6.139 3.272 ( 0.000 -0.146 -1.757) 1.763 3.282 ( 0.000 -0.718 -2.895) 2.983 3.592 ( 0.000 1.103 3.103) 3.293 3.616 ( 0.000 -1.331 0.917) 1.616 4.062 ( 0.000 2.536 -4.109) 4.829 4.067 ( 0.000 2.013 -4.348) 4.792 4.225 ( 0.000 3.500 1.771) 3.922 4.253 ( 0.000 0.790 -1.017) 1.288 4.734 ( 0.000 6.138 2.534) 6.641 4.750 ( 0.000 4.689 0.895) 4.774 5.600 ( 0.000 0.999 -0.154) 1.011 5.617 ( 0.000 0.160 -1.752) 1.759 5.639 ( 0.000 -0.366 -0.551) 0.661 5.641 ( 0.000 -1.474 -0.948) 1.752 5.876 ( 0.000 3.193 3.873) 5.020 5.901 ( 0.000 1.279 4.673) 4.845 5.947 ( 0.000 2.282 -3.041) 3.802 5.974 ( 0.000 -0.028 -2.386) 2.386 6.560 ( 0.000 2.026 0.011) 2.026 6.584 ( 0.000 1.235 -0.238) 1.258 6.592 ( 0.000 -0.663 -2.036) 2.142 6.606 ( 0.000 -0.344 -1.570) 1.607 7.051 ( 0.000 0.403 0.701) 0.809 7.058 ( 0.000 0.191 0.034) 0.194 7.169 ( 0.000 -0.869 2.176) 2.343 7.176 ( 0.000 -1.085 0.974) 1.458 7.287 ( 0.000 2.421 5.749) 6.238 7.351 ( 0.000 -3.453 4.755) 5.877 7.402 ( 0.000 3.714 -0.882) 3.817 7.491 ( 0.000 -4.846 -5.257) 7.149 7.637 ( 0.000 4.939 -2.832) 5.694 7.642 ( 0.000 2.135 -4.525) 5.004 7.733 ( 0.000 -4.633 1.323) 4.819 7.773 ( 0.000 -6.447 -2.106) 6.782 8.245 ( 0.000 2.181 2.019) 2.972 8.265 ( 0.000 0.270 0.159) 0.314 8.614 ( 0.000 0.861 -0.691) 1.104 8.618 ( 0.000 0.389 -1.205) 1.266 8.840 ( 0.000 0.411 2.081) 2.121 8.844 ( 0.000 -0.207 1.968) 1.979 8.895 ( 0.000 -0.267 -0.125) 0.295 8.906 ( 0.000 -1.552 -1.059) 1.879 9.507 ( 0.000 1.979 0.778) 2.127 9.526 ( 0.000 0.026 -1.020) 1.020 9.611 ( 0.000 0.563 1.353) 1.466 9.642 ( 0.000 -2.412 -1.744) 2.977 ======================= Grid point 161 (62/63) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.805 1.608 1.419) 2.290 2.274 ( 1.042 -0.368 -0.393) 1.173 2.320 ( 0.188 2.981 1.478) 3.333 2.343 ( 0.763 0.849 -1.163) 1.630 2.515 ( 6.093 3.329 0.336) 6.951 2.530 ( 4.791 1.762 -1.064) 5.214 2.719 ( 1.417 3.115 1.487) 3.731 2.734 ( 0.948 2.170 0.011) 2.368 2.896 ( 0.861 3.603 0.761) 3.782 2.910 ( 1.349 2.228 -0.469) 2.646 2.983 ( -1.071 1.230 1.865) 2.477 3.013 ( 0.348 0.657 -1.404) 1.589 3.066 ( -0.019 -4.315 3.201) 5.373 3.114 ( 0.710 -6.563 -1.201) 6.710 3.231 ( -3.765 0.691 -0.029) 3.828 3.271 ( -1.889 -3.523 -3.399) 5.247 3.584 ( -0.304 0.982 2.297) 2.517 3.603 ( -0.470 -0.963 0.689) 1.274 3.927 ( -9.844 1.534 -2.778) 10.343 3.939 ( -9.275 0.303 -3.809) 10.031 4.356 ( 9.042 4.065 0.305) 9.919 4.367 ( 8.352 2.980 -0.816) 8.905 4.711 ( -2.530 6.002 2.360) 6.928 4.725 ( -2.590 4.600 0.787) 5.337 5.626 ( 2.771 1.993 -0.340) 3.430 5.636 ( 2.166 1.535 -1.224) 2.923 5.672 ( 3.270 -1.202 -0.484) 3.517 5.677 ( 3.429 -2.068 -1.040) 4.137 5.857 ( -1.956 3.380 3.059) 4.960 5.887 ( -1.811 1.634 3.260) 4.072 5.916 ( -2.807 1.791 -1.620) 3.702 5.952 ( -2.480 -0.884 -1.975) 3.291 6.564 ( 0.529 1.658 0.110) 1.744 6.583 ( -0.157 0.267 -1.562) 1.592 6.597 ( 1.069 0.656 0.275) 1.284 6.617 ( 0.836 -0.686 -1.708) 2.021 7.037 ( -1.429 0.498 1.245) 1.960 7.052 ( -1.067 -0.994 -0.037) 1.459 7.121 ( -3.700 0.813 1.870) 4.225 7.134 ( -4.678 -0.373 0.823) 4.765 7.270 ( -1.756 0.991 4.437) 4.874 7.316 ( -1.295 -3.411 3.676) 5.179 7.377 ( -2.432 0.900 -4.747) 5.409 7.414 ( -5.257 -2.994 -5.172) 7.959 7.680 ( 5.157 4.790 0.169) 7.041 7.723 ( 5.889 4.212 -3.485) 8.035 7.810 ( 6.514 -5.119 3.096) 8.844 7.866 ( 6.810 -6.766 -2.317) 9.876 8.258 ( 1.341 2.144 2.102) 3.288 8.276 ( 1.072 0.479 0.513) 1.282 8.533 ( -6.786 1.056 -0.140) 6.869 8.546 ( -6.622 -0.218 -1.386) 6.770 8.863 ( 2.614 2.455 1.837) 4.029 8.895 ( 1.285 1.660 -0.937) 2.299 8.911 ( 3.638 -2.175 1.689) 4.563 8.940 ( 2.601 -2.924 -0.984) 4.035 9.501 ( -0.467 1.816 0.755) 2.021 9.519 ( -0.573 0.004 -0.947) 1.107 9.586 ( -2.393 0.420 1.231) 2.724 9.615 ( -2.651 -2.304 -1.629) 3.871 ======================= Grid point 162 (63/63) ======================= q-point: ( 0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 1.381 2.292 1.479) 3.058 2.299 ( 1.296 0.161 -0.670) 1.468 2.304 ( -1.199 2.731 1.516) 3.346 2.332 ( -1.560 0.373 -1.016) 1.899 2.645 ( 5.272 4.567 0.176) 6.977 2.656 ( 5.389 4.358 -0.785) 6.975 2.748 ( 1.993 0.046 1.267) 2.363 2.765 ( 1.888 -0.881 -0.209) 2.094 2.914 ( 0.751 6.037 1.393) 6.241 2.930 ( -0.061 5.468 0.312) 5.477 2.955 ( -0.751 3.107 1.000) 3.349 2.988 ( -2.644 4.827 -2.141) 5.905 3.085 ( 1.699 -6.031 2.862) 6.888 3.135 ( 1.026 -6.570 -1.792) 6.886 3.144 ( -3.326 -3.417 3.129) 5.704 3.207 ( -4.378 -7.698 -2.609) 9.232 3.614 ( 4.264 1.424 0.393) 4.513 3.638 ( 4.391 -0.859 -1.653) 4.770 3.746 ( -8.705 0.918 -1.665) 8.910 3.767 ( -8.397 -1.016 -3.160) 9.029 4.514 ( 7.215 5.249 0.580) 8.941 4.520 ( 7.381 4.748 -0.058) 8.777 4.639 ( -4.871 5.183 1.714) 7.316 4.651 ( -5.179 4.120 0.477) 6.635 5.693 ( 3.477 3.473 -0.259) 4.921 5.697 ( 3.883 3.526 -0.754) 5.299 5.744 ( 3.129 -0.722 -0.036) 3.211 5.752 ( 3.267 -1.635 -0.855) 3.752 5.815 ( -1.182 1.784 0.948) 2.341 5.827 ( -3.333 2.819 0.152) 4.367 5.857 ( -3.288 -0.875 1.100) 3.575 5.882 ( -4.494 -1.989 -0.994) 5.014 6.584 ( 1.456 1.346 0.495) 2.043 6.594 ( 0.860 0.677 -0.403) 1.167 6.614 ( 0.489 0.057 0.202) 0.532 6.625 ( -0.303 -0.701 -0.826) 1.125 7.002 ( -1.539 1.264 1.473) 2.477 7.012 ( -2.446 1.012 0.784) 2.760 7.058 ( -1.992 -2.478 0.834) 3.287 7.060 ( -2.042 -2.775 0.537) 3.487 7.251 ( 0.763 3.362 -0.154) 3.451 7.298 ( -4.003 2.041 -4.347) 6.252 7.329 ( 1.567 -4.122 -0.149) 4.412 7.361 ( -1.754 -3.634 -2.910) 4.975 7.783 ( 4.517 6.215 1.621) 7.853 7.811 ( 2.112 6.388 -0.877) 6.785 7.925 ( 4.862 -7.218 2.939) 9.186 7.959 ( 1.918 -7.704 -0.356) 7.947 8.299 ( 3.279 2.053 1.248) 4.065 8.311 ( 3.017 1.063 0.161) 3.202 8.399 ( -6.446 1.097 0.071) 6.539 8.412 ( -6.673 -0.064 -1.113) 6.766 8.909 ( 1.647 3.111 0.671) 3.583 8.916 ( 0.767 2.735 0.151) 2.844 8.971 ( 2.042 -2.963 0.106) 3.600 8.980 ( 1.072 -3.501 -0.636) 3.716 9.499 ( 0.501 1.430 0.718) 1.677 9.513 ( -0.079 0.419 -0.537) 0.686 9.539 ( -1.756 -0.470 0.553) 1.901 9.558 ( -2.806 -1.900 -1.235) 3.606 =================== 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 3/19500 10.0 1914.398 2453.417 1812.562 0.000 0.000 0.000 3/19500 20.0 327.278 456.468 296.562 0.000 0.000 0.000 3/19500 30.0 124.467 183.793 112.867 0.000 0.000 0.000 3/19500 40.0 68.346 103.088 61.029 0.000 0.000 0.000 3/19500 50.0 43.866 66.789 38.673 0.000 0.000 0.000 3/19500 60.0 30.780 47.196 26.930 0.000 0.000 0.000 3/19500 70.0 23.017 35.506 20.049 0.000 0.000 0.000 3/19500 80.0 18.076 28.023 15.702 0.000 0.000 0.000 3/19500 90.0 14.749 22.956 12.789 0.000 0.000 0.000 3/19500 100.0 12.402 19.362 10.738 0.000 0.000 0.000 3/19500 110.0 10.679 16.710 9.236 0.000 0.000 0.000 3/19500 120.0 9.370 14.689 8.096 0.000 0.000 0.000 3/19500 130.0 8.346 13.103 7.207 0.000 0.000 0.000 3/19500 140.0 7.527 11.830 6.495 0.000 0.000 0.000 3/19500 150.0 6.858 10.786 5.914 0.000 0.000 0.000 3/19500 160.0 6.301 9.917 5.431 0.000 0.000 0.000 3/19500 170.0 5.830 9.181 5.023 0.000 0.000 0.000 3/19500 180.0 5.427 8.550 4.674 0.000 0.000 0.000 3/19500 190.0 5.078 8.003 4.372 0.000 0.000 0.000 3/19500 200.0 4.773 7.525 4.109 0.000 0.000 0.000 3/19500 210.0 4.504 7.102 3.876 0.000 0.000 0.000 3/19500 220.0 4.265 6.726 3.670 0.000 0.000 0.000 3/19500 230.0 4.051 6.390 3.485 0.000 0.000 0.000 3/19500 240.0 3.858 6.087 3.318 0.000 0.000 0.000 3/19500 250.0 3.684 5.812 3.168 0.000 0.000 0.000 3/19500 260.0 3.525 5.562 3.030 0.000 0.000 0.000 3/19500 270.0 3.379 5.333 2.905 0.000 0.000 0.000 3/19500 280.0 3.246 5.123 2.790 0.000 0.000 0.000 3/19500 290.0 3.123 4.929 2.684 0.000 0.000 0.000 3/19500 300.0 3.010 4.750 2.586 0.000 0.000 0.000 3/19500 310.0 2.904 4.584 2.495 0.000 0.000 0.000 3/19500 320.0 2.806 4.429 2.411 0.000 0.000 0.000 3/19500 330.0 2.715 4.285 2.332 0.000 0.000 0.000 3/19500 340.0 2.629 4.150 2.259 0.000 0.000 0.000 3/19500 350.0 2.549 4.023 2.189 0.000 0.000 0.000 3/19500 360.0 2.473 3.905 2.125 0.000 0.000 0.000 3/19500 370.0 2.403 3.793 2.064 0.000 0.000 0.000 3/19500 380.0 2.336 3.687 2.006 0.000 0.000 0.000 3/19500 390.0 2.273 3.588 1.952 0.000 0.000 0.000 3/19500 400.0 2.213 3.494 1.900 0.000 0.000 0.000 3/19500 410.0 2.156 3.404 1.852 0.000 0.000 0.000 3/19500 420.0 2.103 3.319 1.806 0.000 0.000 0.000 3/19500 430.0 2.051 3.239 1.762 0.000 0.000 0.000 3/19500 440.0 2.003 3.162 1.720 0.000 0.000 0.000 3/19500 450.0 1.957 3.089 1.680 0.000 0.000 0.000 3/19500 460.0 1.912 3.019 1.642 0.000 0.000 0.000 3/19500 470.0 1.870 2.953 1.606 0.000 0.000 0.000 3/19500 480.0 1.830 2.889 1.571 0.000 0.000 0.000 3/19500 490.0 1.791 2.828 1.538 0.000 0.000 0.000 3/19500 500.0 1.754 2.770 1.506 0.000 0.000 0.000 3/19500 510.0 1.719 2.714 1.476 0.000 0.000 0.000 3/19500 520.0 1.685 2.660 1.446 0.000 0.000 0.000 3/19500 530.0 1.652 2.608 1.418 0.000 0.000 0.000 3/19500 540.0 1.621 2.559 1.391 0.000 0.000 0.000 3/19500 550.0 1.590 2.511 1.365 0.000 0.000 0.000 3/19500 560.0 1.561 2.465 1.340 0.000 0.000 0.000 3/19500 570.0 1.533 2.421 1.316 0.000 0.000 0.000 3/19500 580.0 1.506 2.378 1.293 0.000 0.000 0.000 3/19500 590.0 1.480 2.337 1.270 0.000 0.000 0.000 3/19500 600.0 1.455 2.297 1.249 0.000 0.000 0.000 3/19500 610.0 1.430 2.258 1.228 0.000 0.000 0.000 3/19500 620.0 1.407 2.221 1.208 0.000 0.000 0.000 3/19500 630.0 1.384 2.185 1.188 0.000 0.000 0.000 3/19500 640.0 1.362 2.150 1.169 0.000 0.000 0.000 3/19500 650.0 1.341 2.117 1.151 0.000 0.000 0.000 3/19500 660.0 1.320 2.084 1.133 0.000 0.000 0.000 3/19500 670.0 1.300 2.052 1.116 0.000 0.000 0.000 3/19500 680.0 1.280 2.022 1.099 0.000 0.000 0.000 3/19500 690.0 1.261 1.992 1.083 0.000 0.000 0.000 3/19500 700.0 1.243 1.963 1.067 0.000 0.000 0.000 3/19500 710.0 1.225 1.935 1.052 0.000 0.000 0.000 3/19500 720.0 1.208 1.908 1.037 0.000 0.000 0.000 3/19500 730.0 1.191 1.881 1.023 0.000 0.000 0.000 3/19500 740.0 1.175 1.855 1.009 0.000 0.000 0.000 3/19500 750.0 1.159 1.830 0.995 0.000 0.000 0.000 3/19500 760.0 1.144 1.806 0.982 0.000 0.000 0.000 3/19500 770.0 1.129 1.782 0.969 0.000 0.000 0.000 3/19500 780.0 1.114 1.759 0.956 0.000 0.000 0.000 3/19500 790.0 1.100 1.736 0.944 0.000 0.000 0.000 3/19500 800.0 1.086 1.714 0.932 0.000 0.000 0.000 3/19500 810.0 1.072 1.693 0.920 0.000 0.000 0.000 3/19500 820.0 1.059 1.672 0.909 0.000 0.000 0.000 3/19500 830.0 1.046 1.652 0.898 0.000 0.000 0.000 3/19500 840.0 1.033 1.632 0.887 0.000 0.000 0.000 3/19500 850.0 1.021 1.612 0.876 0.000 0.000 0.000 3/19500 860.0 1.009 1.594 0.866 0.000 0.000 0.000 3/19500 870.0 0.997 1.575 0.856 0.000 0.000 0.000 3/19500 880.0 0.986 1.557 0.846 0.000 0.000 0.000 3/19500 890.0 0.975 1.539 0.837 0.000 0.000 0.000 3/19500 900.0 0.964 1.522 0.827 0.000 0.000 0.000 3/19500 910.0 0.953 1.505 0.818 0.000 0.000 0.000 3/19500 920.0 0.943 1.489 0.809 0.000 0.000 0.000 3/19500 930.0 0.932 1.472 0.800 0.000 0.000 0.000 3/19500 940.0 0.922 1.457 0.792 0.000 0.000 0.000 3/19500 950.0 0.913 1.441 0.783 0.000 0.000 0.000 3/19500 960.0 0.903 1.426 0.775 0.000 0.000 0.000 3/19500 970.0 0.894 1.411 0.767 0.000 0.000 0.000 3/19500 980.0 0.885 1.397 0.759 0.000 0.000 0.000 3/19500 990.0 0.876 1.383 0.751 0.000 0.000 0.000 3/19500 1000.0 0.867 1.369 0.744 0.000 0.000 0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|