----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:49:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.331919460847037 0.000000000000000 0.000000000000000 b 0.000000000000000 7.580903220000000 0.000000000000000 c -0.296552091122853 0.000000000000000 6.679720591539606 Atomic positions (fractional): *1 Na 0.50000000000000 0.64715861901772 0.25000000000000 22.990 2 Na 0.50000000000000 0.35284138098228 0.75000000000000 22.990 *3 Cl 0.25408126361596 0.37592976680017 0.40420793032411 35.453 4 Cl 0.74591873638404 0.37592976680017 0.09579206967589 35.453 *5 Cl 0.77628460030470 0.89618729807767 0.06529814454612 35.453 6 Cl 0.22371539969530 0.89618729807767 0.43470185545389 35.453 7 Cl 0.22371539969530 0.10381270192233 0.93470185545388 35.453 8 Cl 0.77628460030470 0.10381270192233 0.56529814454612 35.453 9 Cl 0.25408126361596 0.62407023319983 0.90420793032411 35.453 10 Cl 0.74591873638404 0.62407023319983 0.59579206967589 35.453 *11 Er 0.00000000000000 0.15497148676906 0.25000000000000 167.259 12 Er 0.00000000000000 0.84502851323094 0.75000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.331919460847037 0.000000000000000 0.000000000000000 b 0.000000000000000 7.580903220000000 0.000000000000000 c -0.296552091122853 0.000000000000000 6.679720591539606 Atomic positions (fractional): *1 Na 0.50000000000000 0.64715861901772 0.25000000000000 22.990 > 1 2 Na 0.50000000000000 0.35284138098228 0.75000000000000 22.990 > 2 *3 Cl 0.25408126361596 0.37592976680017 0.40420793032411 35.453 > 3 4 Cl 0.74591873638404 0.37592976680017 0.09579206967589 35.453 > 4 *5 Cl 0.77628460030470 0.89618729807767 0.06529814454612 35.453 > 5 6 Cl 0.22371539969530 0.89618729807767 0.43470185545389 35.453 > 6 7 Cl 0.22371539969530 0.10381270192233 0.93470185545388 35.453 > 7 8 Cl 0.77628460030470 0.10381270192233 0.56529814454612 35.453 > 8 9 Cl 0.25408126361596 0.62407023319983 0.90420793032411 35.453 > 9 10 Cl 0.74591873638404 0.62407023319983 0.59579206967589 35.453 > 10 *11 Er 0.00000000000000 0.15497148676906 0.25000000000000 167.259 > 11 12 Er 0.00000000000000 0.84502851323094 0.75000000000000 167.259 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.995758382541112 0.000000000000000 0.000000000000000 b 0.000000000000000 15.161806439999999 0.000000000000000 c -0.593104182245706 0.000000000000000 13.359441183079213 Atomic positions (fractional): *1 Na 0.16666666666667 0.32357930950886 0.12500000000000 22.990 > 1 2 Na 0.50000000000000 0.32357930950886 0.12500000000000 22.990 > 1 3 Na 0.83333333333333 0.32357930950886 0.12500000000000 22.990 > 1 4 Na 0.16666666666667 0.82357930950886 0.12500000000000 22.990 > 1 5 Na 0.50000000000000 0.82357930950886 0.12500000000000 22.990 > 1 6 Na 0.83333333333333 0.82357930950886 0.12500000000000 22.990 > 1 7 Na 0.16666666666667 0.32357930950886 0.62500000000000 22.990 > 1 8 Na 0.50000000000000 0.32357930950886 0.62500000000000 22.990 > 1 9 Na 0.83333333333333 0.32357930950886 0.62500000000000 22.990 > 1 10 Na 0.16666666666667 0.82357930950886 0.62500000000000 22.990 > 1 11 Na 0.50000000000000 0.82357930950886 0.62500000000000 22.990 > 1 12 Na 0.83333333333333 0.82357930950886 0.62500000000000 22.990 > 1 13 Na 0.16666666666667 0.17642069049114 0.37500000000000 22.990 > 2 14 Na 0.50000000000000 0.17642069049114 0.37500000000000 22.990 > 2 15 Na 0.83333333333333 0.17642069049114 0.37500000000000 22.990 > 2 16 Na 0.16666666666667 0.67642069049114 0.37500000000000 22.990 > 2 17 Na 0.50000000000000 0.67642069049114 0.37500000000000 22.990 > 2 18 Na 0.83333333333333 0.67642069049114 0.37500000000000 22.990 > 2 19 Na 0.16666666666667 0.17642069049114 0.87500000000000 22.990 > 2 20 Na 0.50000000000000 0.17642069049114 0.87500000000000 22.990 > 2 21 Na 0.83333333333333 0.17642069049114 0.87500000000000 22.990 > 2 22 Na 0.16666666666667 0.67642069049114 0.87500000000000 22.990 > 2 23 Na 0.50000000000000 0.67642069049114 0.87500000000000 22.990 > 2 24 Na 0.83333333333333 0.67642069049114 0.87500000000000 22.990 > 2 *25 Cl 0.08469375453865 0.18796488340008 0.20210396516206 35.453 > 3 26 Cl 0.41802708787199 0.18796488340008 0.20210396516206 35.453 > 3 27 Cl 0.75136042120532 0.18796488340008 0.20210396516206 35.453 > 3 28 Cl 0.08469375453865 0.68796488340008 0.20210396516206 35.453 > 3 29 Cl 0.41802708787199 0.68796488340008 0.20210396516206 35.453 > 3 30 Cl 0.75136042120532 0.68796488340008 0.20210396516206 35.453 > 3 31 Cl 0.08469375453865 0.18796488340008 0.70210396516206 35.453 > 3 32 Cl 0.41802708787199 0.18796488340008 0.70210396516206 35.453 > 3 33 Cl 0.75136042120532 0.18796488340008 0.70210396516206 35.453 > 3 34 Cl 0.08469375453865 0.68796488340008 0.70210396516206 35.453 > 3 35 Cl 0.41802708787199 0.68796488340008 0.70210396516206 35.453 > 3 36 Cl 0.75136042120532 0.68796488340008 0.70210396516206 35.453 > 3 37 Cl 0.24863957879468 0.18796488340008 0.04789603483794 35.453 > 4 38 Cl 0.58197291212801 0.18796488340008 0.04789603483794 35.453 > 4 39 Cl 0.91530624546135 0.18796488340008 0.04789603483794 35.453 > 4 40 Cl 0.24863957879468 0.68796488340008 0.04789603483794 35.453 > 4 41 Cl 0.58197291212801 0.68796488340008 0.04789603483794 35.453 > 4 42 Cl 0.91530624546135 0.68796488340008 0.04789603483794 35.453 > 4 43 Cl 0.24863957879468 0.18796488340008 0.54789603483794 35.453 > 4 44 Cl 0.58197291212801 0.18796488340008 0.54789603483794 35.453 > 4 45 Cl 0.91530624546135 0.18796488340008 0.54789603483794 35.453 > 4 46 Cl 0.24863957879468 0.68796488340008 0.54789603483794 35.453 > 4 47 Cl 0.58197291212801 0.68796488340008 0.54789603483794 35.453 > 4 48 Cl 0.91530624546135 0.68796488340008 0.54789603483794 35.453 > 4 *49 Cl 0.25876153343490 0.44809364903883 0.03264907227306 35.453 > 5 50 Cl 0.59209486676823 0.44809364903883 0.03264907227306 35.453 > 5 51 Cl 0.92542820010157 0.44809364903883 0.03264907227306 35.453 > 5 52 Cl 0.25876153343490 0.94809364903883 0.03264907227306 35.453 > 5 53 Cl 0.59209486676823 0.94809364903883 0.03264907227306 35.453 > 5 54 Cl 0.92542820010157 0.94809364903883 0.03264907227306 35.453 > 5 55 Cl 0.25876153343490 0.44809364903883 0.53264907227306 35.453 > 5 56 Cl 0.59209486676823 0.44809364903883 0.53264907227306 35.453 > 5 57 Cl 0.92542820010157 0.44809364903883 0.53264907227306 35.453 > 5 58 Cl 0.25876153343490 0.94809364903883 0.53264907227306 35.453 > 5 59 Cl 0.59209486676823 0.94809364903883 0.53264907227306 35.453 > 5 60 Cl 0.92542820010157 0.94809364903883 0.53264907227306 35.453 > 5 61 Cl 0.07457179989843 0.44809364903883 0.21735092772694 35.453 > 6 62 Cl 0.40790513323177 0.44809364903883 0.21735092772694 35.453 > 6 63 Cl 0.74123846656510 0.44809364903883 0.21735092772694 35.453 > 6 64 Cl 0.07457179989843 0.94809364903883 0.21735092772694 35.453 > 6 65 Cl 0.40790513323177 0.94809364903883 0.21735092772694 35.453 > 6 66 Cl 0.74123846656510 0.94809364903883 0.21735092772694 35.453 > 6 67 Cl 0.07457179989843 0.44809364903883 0.71735092772694 35.453 > 6 68 Cl 0.40790513323177 0.44809364903883 0.71735092772694 35.453 > 6 69 Cl 0.74123846656510 0.44809364903883 0.71735092772694 35.453 > 6 70 Cl 0.07457179989843 0.94809364903883 0.71735092772694 35.453 > 6 71 Cl 0.40790513323177 0.94809364903883 0.71735092772694 35.453 > 6 72 Cl 0.74123846656510 0.94809364903883 0.71735092772694 35.453 > 6 73 Cl 0.07457179989843 0.05190635096116 0.46735092772694 35.453 > 7 74 Cl 0.40790513323177 0.05190635096116 0.46735092772694 35.453 > 7 75 Cl 0.74123846656510 0.05190635096116 0.46735092772694 35.453 > 7 76 Cl 0.07457179989843 0.55190635096117 0.46735092772694 35.453 > 7 77 Cl 0.40790513323177 0.55190635096117 0.46735092772694 35.453 > 7 78 Cl 0.74123846656510 0.55190635096117 0.46735092772694 35.453 > 7 79 Cl 0.07457179989843 0.05190635096116 0.96735092772694 35.453 > 7 80 Cl 0.40790513323177 0.05190635096116 0.96735092772694 35.453 > 7 81 Cl 0.74123846656510 0.05190635096116 0.96735092772694 35.453 > 7 82 Cl 0.07457179989843 0.55190635096117 0.96735092772694 35.453 > 7 83 Cl 0.40790513323177 0.55190635096117 0.96735092772694 35.453 > 7 84 Cl 0.74123846656510 0.55190635096117 0.96735092772694 35.453 > 7 85 Cl 0.25876153343490 0.05190635096116 0.28264907227306 35.453 > 8 86 Cl 0.59209486676823 0.05190635096116 0.28264907227306 35.453 > 8 87 Cl 0.92542820010157 0.05190635096116 0.28264907227306 35.453 > 8 88 Cl 0.25876153343490 0.55190635096117 0.28264907227306 35.453 > 8 89 Cl 0.59209486676823 0.55190635096117 0.28264907227306 35.453 > 8 90 Cl 0.92542820010157 0.55190635096117 0.28264907227306 35.453 > 8 91 Cl 0.25876153343490 0.05190635096116 0.78264907227306 35.453 > 8 92 Cl 0.59209486676823 0.05190635096116 0.78264907227306 35.453 > 8 93 Cl 0.92542820010157 0.05190635096116 0.78264907227306 35.453 > 8 94 Cl 0.25876153343490 0.55190635096117 0.78264907227306 35.453 > 8 95 Cl 0.59209486676823 0.55190635096117 0.78264907227306 35.453 > 8 96 Cl 0.92542820010157 0.55190635096117 0.78264907227306 35.453 > 8 97 Cl 0.08469375453865 0.31203511659992 0.45210396516206 35.453 > 9 98 Cl 0.41802708787199 0.31203511659992 0.45210396516206 35.453 > 9 99 Cl 0.75136042120532 0.31203511659992 0.45210396516206 35.453 > 9 100 Cl 0.08469375453865 0.81203511659992 0.45210396516206 35.453 > 9 101 Cl 0.41802708787199 0.81203511659992 0.45210396516206 35.453 > 9 102 Cl 0.75136042120532 0.81203511659992 0.45210396516206 35.453 > 9 103 Cl 0.08469375453865 0.31203511659992 0.95210396516206 35.453 > 9 104 Cl 0.41802708787199 0.31203511659992 0.95210396516206 35.453 > 9 105 Cl 0.75136042120532 0.31203511659992 0.95210396516206 35.453 > 9 106 Cl 0.08469375453865 0.81203511659992 0.95210396516206 35.453 > 9 107 Cl 0.41802708787199 0.81203511659992 0.95210396516206 35.453 > 9 108 Cl 0.75136042120532 0.81203511659992 0.95210396516206 35.453 > 9 109 Cl 0.24863957879468 0.31203511659992 0.29789603483794 35.453 > 10 110 Cl 0.58197291212801 0.31203511659992 0.29789603483794 35.453 > 10 111 Cl 0.91530624546135 0.31203511659992 0.29789603483794 35.453 > 10 112 Cl 0.24863957879468 0.81203511659992 0.29789603483794 35.453 > 10 113 Cl 0.58197291212801 0.81203511659992 0.29789603483794 35.453 > 10 114 Cl 0.91530624546135 0.81203511659992 0.29789603483794 35.453 > 10 115 Cl 0.24863957879468 0.31203511659992 0.79789603483794 35.453 > 10 116 Cl 0.58197291212801 0.31203511659992 0.79789603483794 35.453 > 10 117 Cl 0.91530624546135 0.31203511659992 0.79789603483794 35.453 > 10 118 Cl 0.24863957879468 0.81203511659992 0.79789603483794 35.453 > 10 119 Cl 0.58197291212801 0.81203511659992 0.79789603483794 35.453 > 10 120 Cl 0.91530624546135 0.81203511659992 0.79789603483794 35.453 > 10 *121 Er 0.00000000000000 0.07748574338453 0.12500000000000 167.259 > 11 122 Er 0.33333333333333 0.07748574338453 0.12500000000000 167.259 > 11 123 Er 0.66666666666667 0.07748574338453 0.12500000000000 167.259 > 11 124 Er 0.00000000000000 0.57748574338453 0.12500000000000 167.259 > 11 125 Er 0.33333333333333 0.57748574338453 0.12500000000000 167.259 > 11 126 Er 0.66666666666667 0.57748574338453 0.12500000000000 167.259 > 11 127 Er 0.00000000000000 0.07748574338453 0.62500000000000 167.259 > 11 128 Er 0.33333333333333 0.07748574338453 0.62500000000000 167.259 > 11 129 Er 0.66666666666667 0.07748574338453 0.62500000000000 167.259 > 11 130 Er 0.00000000000000 0.57748574338453 0.62500000000000 167.259 > 11 131 Er 0.33333333333333 0.57748574338453 0.62500000000000 167.259 > 11 132 Er 0.66666666666667 0.57748574338453 0.62500000000000 167.259 > 11 133 Er 0.00000000000000 0.42251425661547 0.37500000000000 167.259 > 12 134 Er 0.33333333333333 0.42251425661547 0.37500000000000 167.259 > 12 135 Er 0.66666666666667 0.42251425661547 0.37500000000000 167.259 > 12 136 Er 0.00000000000000 0.92251425661547 0.37500000000000 167.259 > 12 137 Er 0.33333333333333 0.92251425661547 0.37500000000000 167.259 > 12 138 Er 0.66666666666667 0.92251425661547 0.37500000000000 167.259 > 12 139 Er 0.00000000000000 0.42251425661547 0.87500000000000 167.259 > 12 140 Er 0.33333333333333 0.42251425661547 0.87500000000000 167.259 > 12 141 Er 0.66666666666667 0.42251425661547 0.87500000000000 167.259 > 12 142 Er 0.00000000000000 0.92251425661547 0.87500000000000 167.259 > 12 143 Er 0.33333333333333 0.92251425661547 0.87500000000000 167.259 > 12 144 Er 0.66666666666667 0.92251425661547 0.87500000000000 167.259 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8064731 0.0000000 0.0576786 0.0000000 2.9036270 0.0000000 0.0576789 0.0000000 2.9607074 -------------------------- Born effective charges -------------------------- 1 Na 1.3541858 0.0000000 -0.0018832 0.0000000 1.2389417 0.0000000 0.0505209 0.0000000 1.1704511 2 Na 1.3541858 0.0000000 -0.0018832 0.0000000 1.2389417 0.0000000 0.0505209 0.0000000 1.1704511 3 Cl -1.1665199 -0.5697296 -0.3591590 -0.6264275 -1.2986883 -0.3092042 -0.3858299 -0.2738977 -0.9697396 4 Cl -1.1665199 0.5697296 -0.3591590 0.6264275 -1.2986883 0.3092042 -0.3858299 0.2738977 -0.9697396 5 Cl -0.9538701 -0.2747948 0.2448771 -0.2688559 -1.0143997 -0.3700488 0.2691241 -0.4355119 -1.4877273 6 Cl -0.9538701 0.2747948 0.2448771 0.2688559 -1.0143997 0.3700488 0.2691241 0.4355119 -1.4877273 7 Cl -0.9538701 -0.2747948 0.2448771 -0.2688559 -1.0143997 -0.3700488 0.2691241 -0.4355119 -1.4877273 8 Cl -0.9538701 0.2747948 0.2448771 0.2688559 -1.0143997 0.3700488 0.2691241 0.4355119 -1.4877273 9 Cl -1.1665199 0.5697296 -0.3591590 0.6264275 -1.2986883 0.3092042 -0.3858299 0.2738977 -0.9697396 10 Cl -1.1665199 -0.5697296 -0.3591590 -0.6264275 -1.2986883 -0.3092042 -0.3858299 -0.2738977 -0.9697396 11 Er 2.8865942 0.0000000 0.2304469 0.0000000 3.3872343 0.0000000 0.1828906 0.0000000 3.7444827 12 Er 2.8865942 0.0000000 0.2304469 0.0000000 3.3872343 0.0000000 0.1828906 0.0000000 3.7444827 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 400 - Time: 1.009 Solver_block: 200 / 400 - Time: 0.927 Solver_block: 300 / 400 - Time: 1.132 Solver_block: 400 / 400 - Time: 0.924 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.004 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:50:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:50:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.331919460847037 0.000000000000000 0.000000000000000 b 0.000000000000000 7.580903220000000 0.000000000000000 c -0.296552091122853 0.000000000000000 6.679720591539606 Atomic positions (fractional): 1 Na 0.50000000000000 0.64715861901772 0.25000000000000 22.990 2 Na 0.50000000000000 0.35284138098228 0.75000000000000 22.990 3 Cl 0.25408126361596 0.37592976680017 0.40420793032411 35.453 4 Cl 0.74591873638404 0.37592976680017 0.09579206967589 35.453 5 Cl 0.77628460030470 0.89618729807767 0.06529814454612 35.453 6 Cl 0.22371539969530 0.89618729807767 0.43470185545389 35.453 7 Cl 0.22371539969530 0.10381270192233 0.93470185545388 35.453 8 Cl 0.77628460030470 0.10381270192233 0.56529814454612 35.453 9 Cl 0.25408126361596 0.62407023319983 0.90420793032411 35.453 10 Cl 0.74591873638404 0.62407023319983 0.59579206967589 35.453 11 Er 0.00000000000000 0.15497148676906 0.25000000000000 167.259 12 Er 0.00000000000000 0.84502851323094 0.75000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.995758382541112 0.000000000000000 0.000000000000000 b 0.000000000000000 15.161806439999999 0.000000000000000 c -0.593104182245706 0.000000000000000 13.359441183079213 Atomic positions (fractional): 1 Na 0.16666666666667 0.32357930950886 0.12500000000000 22.990 > 1 2 Na 0.50000000000000 0.32357930950886 0.12500000000000 22.990 > 1 3 Na 0.83333333333333 0.32357930950886 0.12500000000000 22.990 > 1 4 Na 0.16666666666667 0.82357930950886 0.12500000000000 22.990 > 1 5 Na 0.50000000000000 0.82357930950886 0.12500000000000 22.990 > 1 6 Na 0.83333333333333 0.82357930950886 0.12500000000000 22.990 > 1 7 Na 0.16666666666667 0.32357930950886 0.62500000000000 22.990 > 1 8 Na 0.50000000000000 0.32357930950886 0.62500000000000 22.990 > 1 9 Na 0.83333333333333 0.32357930950886 0.62500000000000 22.990 > 1 10 Na 0.16666666666667 0.82357930950886 0.62500000000000 22.990 > 1 11 Na 0.50000000000000 0.82357930950886 0.62500000000000 22.990 > 1 12 Na 0.83333333333333 0.82357930950886 0.62500000000000 22.990 > 1 13 Na 0.16666666666667 0.17642069049114 0.37500000000000 22.990 > 13 14 Na 0.50000000000000 0.17642069049114 0.37500000000000 22.990 > 13 15 Na 0.83333333333333 0.17642069049114 0.37500000000000 22.990 > 13 16 Na 0.16666666666667 0.67642069049114 0.37500000000000 22.990 > 13 17 Na 0.50000000000000 0.67642069049114 0.37500000000000 22.990 > 13 18 Na 0.83333333333333 0.67642069049114 0.37500000000000 22.990 > 13 19 Na 0.16666666666667 0.17642069049114 0.87500000000000 22.990 > 13 20 Na 0.50000000000000 0.17642069049114 0.87500000000000 22.990 > 13 21 Na 0.83333333333333 0.17642069049114 0.87500000000000 22.990 > 13 22 Na 0.16666666666667 0.67642069049114 0.87500000000000 22.990 > 13 23 Na 0.50000000000000 0.67642069049114 0.87500000000000 22.990 > 13 24 Na 0.83333333333333 0.67642069049114 0.87500000000000 22.990 > 13 25 Cl 0.08469375453865 0.18796488340008 0.20210396516206 35.453 > 25 26 Cl 0.41802708787199 0.18796488340008 0.20210396516206 35.453 > 25 27 Cl 0.75136042120532 0.18796488340008 0.20210396516206 35.453 > 25 28 Cl 0.08469375453865 0.68796488340008 0.20210396516206 35.453 > 25 29 Cl 0.41802708787199 0.68796488340008 0.20210396516206 35.453 > 25 30 Cl 0.75136042120532 0.68796488340008 0.20210396516206 35.453 > 25 31 Cl 0.08469375453865 0.18796488340008 0.70210396516206 35.453 > 25 32 Cl 0.41802708787199 0.18796488340008 0.70210396516206 35.453 > 25 33 Cl 0.75136042120532 0.18796488340008 0.70210396516206 35.453 > 25 34 Cl 0.08469375453865 0.68796488340008 0.70210396516206 35.453 > 25 35 Cl 0.41802708787199 0.68796488340008 0.70210396516206 35.453 > 25 36 Cl 0.75136042120532 0.68796488340008 0.70210396516206 35.453 > 25 37 Cl 0.24863957879468 0.18796488340008 0.04789603483794 35.453 > 37 38 Cl 0.58197291212801 0.18796488340008 0.04789603483794 35.453 > 37 39 Cl 0.91530624546135 0.18796488340008 0.04789603483794 35.453 > 37 40 Cl 0.24863957879468 0.68796488340008 0.04789603483794 35.453 > 37 41 Cl 0.58197291212801 0.68796488340008 0.04789603483794 35.453 > 37 42 Cl 0.91530624546135 0.68796488340008 0.04789603483794 35.453 > 37 43 Cl 0.24863957879468 0.18796488340008 0.54789603483794 35.453 > 37 44 Cl 0.58197291212801 0.18796488340008 0.54789603483794 35.453 > 37 45 Cl 0.91530624546135 0.18796488340008 0.54789603483794 35.453 > 37 46 Cl 0.24863957879468 0.68796488340008 0.54789603483794 35.453 > 37 47 Cl 0.58197291212801 0.68796488340008 0.54789603483794 35.453 > 37 48 Cl 0.91530624546135 0.68796488340008 0.54789603483794 35.453 > 37 49 Cl 0.25876153343490 0.44809364903883 0.03264907227306 35.453 > 49 50 Cl 0.59209486676823 0.44809364903883 0.03264907227306 35.453 > 49 51 Cl 0.92542820010157 0.44809364903883 0.03264907227306 35.453 > 49 52 Cl 0.25876153343490 0.94809364903883 0.03264907227306 35.453 > 49 53 Cl 0.59209486676823 0.94809364903883 0.03264907227306 35.453 > 49 54 Cl 0.92542820010157 0.94809364903883 0.03264907227306 35.453 > 49 55 Cl 0.25876153343490 0.44809364903883 0.53264907227306 35.453 > 49 56 Cl 0.59209486676823 0.44809364903883 0.53264907227306 35.453 > 49 57 Cl 0.92542820010157 0.44809364903883 0.53264907227306 35.453 > 49 58 Cl 0.25876153343490 0.94809364903883 0.53264907227306 35.453 > 49 59 Cl 0.59209486676823 0.94809364903883 0.53264907227306 35.453 > 49 60 Cl 0.92542820010157 0.94809364903883 0.53264907227306 35.453 > 49 61 Cl 0.07457179989843 0.44809364903883 0.21735092772694 35.453 > 61 62 Cl 0.40790513323177 0.44809364903883 0.21735092772694 35.453 > 61 63 Cl 0.74123846656510 0.44809364903883 0.21735092772694 35.453 > 61 64 Cl 0.07457179989843 0.94809364903883 0.21735092772694 35.453 > 61 65 Cl 0.40790513323177 0.94809364903883 0.21735092772694 35.453 > 61 66 Cl 0.74123846656510 0.94809364903883 0.21735092772694 35.453 > 61 67 Cl 0.07457179989843 0.44809364903883 0.71735092772694 35.453 > 61 68 Cl 0.40790513323177 0.44809364903883 0.71735092772694 35.453 > 61 69 Cl 0.74123846656510 0.44809364903883 0.71735092772694 35.453 > 61 70 Cl 0.07457179989843 0.94809364903883 0.71735092772694 35.453 > 61 71 Cl 0.40790513323177 0.94809364903883 0.71735092772694 35.453 > 61 72 Cl 0.74123846656510 0.94809364903883 0.71735092772694 35.453 > 61 73 Cl 0.07457179989843 0.05190635096116 0.46735092772694 35.453 > 73 74 Cl 0.40790513323177 0.05190635096116 0.46735092772694 35.453 > 73 75 Cl 0.74123846656510 0.05190635096116 0.46735092772694 35.453 > 73 76 Cl 0.07457179989843 0.55190635096117 0.46735092772694 35.453 > 73 77 Cl 0.40790513323177 0.55190635096117 0.46735092772694 35.453 > 73 78 Cl 0.74123846656510 0.55190635096117 0.46735092772694 35.453 > 73 79 Cl 0.07457179989843 0.05190635096116 0.96735092772694 35.453 > 73 80 Cl 0.40790513323177 0.05190635096116 0.96735092772694 35.453 > 73 81 Cl 0.74123846656510 0.05190635096116 0.96735092772694 35.453 > 73 82 Cl 0.07457179989843 0.55190635096117 0.96735092772694 35.453 > 73 83 Cl 0.40790513323177 0.55190635096117 0.96735092772694 35.453 > 73 84 Cl 0.74123846656510 0.55190635096117 0.96735092772694 35.453 > 73 85 Cl 0.25876153343490 0.05190635096116 0.28264907227306 35.453 > 85 86 Cl 0.59209486676823 0.05190635096116 0.28264907227306 35.453 > 85 87 Cl 0.92542820010157 0.05190635096116 0.28264907227306 35.453 > 85 88 Cl 0.25876153343490 0.55190635096117 0.28264907227306 35.453 > 85 89 Cl 0.59209486676823 0.55190635096117 0.28264907227306 35.453 > 85 90 Cl 0.92542820010157 0.55190635096117 0.28264907227306 35.453 > 85 91 Cl 0.25876153343490 0.05190635096116 0.78264907227306 35.453 > 85 92 Cl 0.59209486676823 0.05190635096116 0.78264907227306 35.453 > 85 93 Cl 0.92542820010157 0.05190635096116 0.78264907227306 35.453 > 85 94 Cl 0.25876153343490 0.55190635096117 0.78264907227306 35.453 > 85 95 Cl 0.59209486676823 0.55190635096117 0.78264907227306 35.453 > 85 96 Cl 0.92542820010157 0.55190635096117 0.78264907227306 35.453 > 85 97 Cl 0.08469375453865 0.31203511659992 0.45210396516206 35.453 > 97 98 Cl 0.41802708787199 0.31203511659992 0.45210396516206 35.453 > 97 99 Cl 0.75136042120532 0.31203511659992 0.45210396516206 35.453 > 97 100 Cl 0.08469375453865 0.81203511659992 0.45210396516206 35.453 > 97 101 Cl 0.41802708787199 0.81203511659992 0.45210396516206 35.453 > 97 102 Cl 0.75136042120532 0.81203511659992 0.45210396516206 35.453 > 97 103 Cl 0.08469375453865 0.31203511659992 0.95210396516206 35.453 > 97 104 Cl 0.41802708787199 0.31203511659992 0.95210396516206 35.453 > 97 105 Cl 0.75136042120532 0.31203511659992 0.95210396516206 35.453 > 97 106 Cl 0.08469375453865 0.81203511659992 0.95210396516206 35.453 > 97 107 Cl 0.41802708787199 0.81203511659992 0.95210396516206 35.453 > 97 108 Cl 0.75136042120532 0.81203511659992 0.95210396516206 35.453 > 97 109 Cl 0.24863957879468 0.31203511659992 0.29789603483794 35.453 > 109 110 Cl 0.58197291212801 0.31203511659992 0.29789603483794 35.453 > 109 111 Cl 0.91530624546135 0.31203511659992 0.29789603483794 35.453 > 109 112 Cl 0.24863957879468 0.81203511659992 0.29789603483794 35.453 > 109 113 Cl 0.58197291212801 0.81203511659992 0.29789603483794 35.453 > 109 114 Cl 0.91530624546135 0.81203511659992 0.29789603483794 35.453 > 109 115 Cl 0.24863957879468 0.31203511659992 0.79789603483794 35.453 > 109 116 Cl 0.58197291212801 0.31203511659992 0.79789603483794 35.453 > 109 117 Cl 0.91530624546135 0.31203511659992 0.79789603483794 35.453 > 109 118 Cl 0.24863957879468 0.81203511659992 0.79789603483794 35.453 > 109 119 Cl 0.58197291212801 0.81203511659992 0.79789603483794 35.453 > 109 120 Cl 0.91530624546135 0.81203511659992 0.79789603483794 35.453 > 109 121 Er 0.00000000000000 0.07748574338453 0.12500000000000 167.259 > 121 122 Er 0.33333333333333 0.07748574338453 0.12500000000000 167.259 > 121 123 Er 0.66666666666667 0.07748574338453 0.12500000000000 167.259 > 121 124 Er 0.00000000000000 0.57748574338453 0.12500000000000 167.259 > 121 125 Er 0.33333333333333 0.57748574338453 0.12500000000000 167.259 > 121 126 Er 0.66666666666667 0.57748574338453 0.12500000000000 167.259 > 121 127 Er 0.00000000000000 0.07748574338453 0.62500000000000 167.259 > 121 128 Er 0.33333333333333 0.07748574338453 0.62500000000000 167.259 > 121 129 Er 0.66666666666667 0.07748574338453 0.62500000000000 167.259 > 121 130 Er 0.00000000000000 0.57748574338453 0.62500000000000 167.259 > 121 131 Er 0.33333333333333 0.57748574338453 0.62500000000000 167.259 > 121 132 Er 0.66666666666667 0.57748574338453 0.62500000000000 167.259 > 121 133 Er 0.00000000000000 0.42251425661547 0.37500000000000 167.259 > 133 134 Er 0.33333333333333 0.42251425661547 0.37500000000000 167.259 > 133 135 Er 0.66666666666667 0.42251425661547 0.37500000000000 167.259 > 133 136 Er 0.00000000000000 0.92251425661547 0.37500000000000 167.259 > 133 137 Er 0.33333333333333 0.92251425661547 0.37500000000000 167.259 > 133 138 Er 0.66666666666667 0.92251425661547 0.37500000000000 167.259 > 133 139 Er 0.00000000000000 0.42251425661547 0.87500000000000 167.259 > 133 140 Er 0.33333333333333 0.42251425661547 0.87500000000000 167.259 > 133 141 Er 0.66666666666667 0.42251425661547 0.87500000000000 167.259 > 133 142 Er 0.00000000000000 0.92251425661547 0.87500000000000 167.259 > 133 143 Er 0.33333333333333 0.92251425661547 0.87500000000000 167.259 > 133 144 Er 0.66666666666667 0.92251425661547 0.87500000000000 167.259 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8064731 0.0000000 0.0576786 0.0000000 2.9036270 0.0000000 0.0576789 0.0000000 2.9607074 -------------------------- Born effective charges -------------------------- 1 Na 1.3541858 0.0000000 -0.0018832 0.0000000 1.2389417 0.0000000 0.0505209 0.0000000 1.1704511 2 Na 1.3541858 0.0000000 -0.0018832 0.0000000 1.2389417 0.0000000 0.0505209 0.0000000 1.1704511 3 Cl -1.1665199 -0.5697296 -0.3591590 -0.6264275 -1.2986883 -0.3092042 -0.3858299 -0.2738977 -0.9697396 4 Cl -1.1665199 0.5697296 -0.3591590 0.6264275 -1.2986883 0.3092042 -0.3858299 0.2738977 -0.9697396 5 Cl -0.9538701 -0.2747948 0.2448771 -0.2688559 -1.0143997 -0.3700488 0.2691241 -0.4355119 -1.4877273 6 Cl -0.9538701 0.2747948 0.2448771 0.2688559 -1.0143997 0.3700488 0.2691241 0.4355119 -1.4877273 7 Cl -0.9538701 -0.2747948 0.2448771 -0.2688559 -1.0143997 -0.3700488 0.2691241 -0.4355119 -1.4877273 8 Cl -0.9538701 0.2747948 0.2448771 0.2688559 -1.0143997 0.3700488 0.2691241 0.4355119 -1.4877273 9 Cl -1.1665199 0.5697296 -0.3591590 0.6264275 -1.2986883 0.3092042 -0.3858299 0.2738977 -0.9697396 10 Cl -1.1665199 -0.5697296 -0.3591590 -0.6264275 -1.2986883 -0.3092042 -0.3858299 -0.2738977 -0.9697396 11 Er 2.8865942 0.0000000 0.2304469 0.0000000 3.3872343 0.0000000 0.1828906 0.0000000 3.7444827 12 Er 2.8865942 0.0000000 0.2304469 0.0000000 3.3872343 0.0000000 0.1828906 0.0000000 3.7444827 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 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] [-0.0004 0.0000 0.0100] [ 0.0004 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) 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 2026-01-08 07:51:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:51:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.331919460847037 0.000000000000000 0.000000000000000 b 0.000000000000000 7.580903220000000 0.000000000000000 c -0.296552091122853 0.000000000000000 6.679720591539606 Atomic positions (fractional): 1 Na 0.50000000000000 0.64715861901772 0.25000000000000 22.990 2 Na 0.50000000000000 0.35284138098228 0.75000000000000 22.990 3 Cl 0.25408126361596 0.37592976680017 0.40420793032411 35.453 4 Cl 0.74591873638404 0.37592976680017 0.09579206967589 35.453 5 Cl 0.77628460030470 0.89618729807767 0.06529814454612 35.453 6 Cl 0.22371539969530 0.89618729807767 0.43470185545389 35.453 7 Cl 0.22371539969530 0.10381270192233 0.93470185545388 35.453 8 Cl 0.77628460030470 0.10381270192233 0.56529814454612 35.453 9 Cl 0.25408126361596 0.62407023319983 0.90420793032411 35.453 10 Cl 0.74591873638404 0.62407023319983 0.59579206967589 35.453 11 Er 0.00000000000000 0.15497148676906 0.25000000000000 167.259 12 Er 0.00000000000000 0.84502851323094 0.75000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.995758382541112 0.000000000000000 0.000000000000000 b 0.000000000000000 15.161806439999999 0.000000000000000 c -0.593104182245706 0.000000000000000 13.359441183079213 Atomic positions (fractional): 1 Na 0.16666666666667 0.32357930950886 0.12500000000000 22.990 > 1 2 Na 0.50000000000000 0.32357930950886 0.12500000000000 22.990 > 1 3 Na 0.83333333333333 0.32357930950886 0.12500000000000 22.990 > 1 4 Na 0.16666666666667 0.82357930950886 0.12500000000000 22.990 > 1 5 Na 0.50000000000000 0.82357930950886 0.12500000000000 22.990 > 1 6 Na 0.83333333333333 0.82357930950886 0.12500000000000 22.990 > 1 7 Na 0.16666666666667 0.32357930950886 0.62500000000000 22.990 > 1 8 Na 0.50000000000000 0.32357930950886 0.62500000000000 22.990 > 1 9 Na 0.83333333333333 0.32357930950886 0.62500000000000 22.990 > 1 10 Na 0.16666666666667 0.82357930950886 0.62500000000000 22.990 > 1 11 Na 0.50000000000000 0.82357930950886 0.62500000000000 22.990 > 1 12 Na 0.83333333333333 0.82357930950886 0.62500000000000 22.990 > 1 13 Na 0.16666666666667 0.17642069049114 0.37500000000000 22.990 > 13 14 Na 0.50000000000000 0.17642069049114 0.37500000000000 22.990 > 13 15 Na 0.83333333333333 0.17642069049114 0.37500000000000 22.990 > 13 16 Na 0.16666666666667 0.67642069049114 0.37500000000000 22.990 > 13 17 Na 0.50000000000000 0.67642069049114 0.37500000000000 22.990 > 13 18 Na 0.83333333333333 0.67642069049114 0.37500000000000 22.990 > 13 19 Na 0.16666666666667 0.17642069049114 0.87500000000000 22.990 > 13 20 Na 0.50000000000000 0.17642069049114 0.87500000000000 22.990 > 13 21 Na 0.83333333333333 0.17642069049114 0.87500000000000 22.990 > 13 22 Na 0.16666666666667 0.67642069049114 0.87500000000000 22.990 > 13 23 Na 0.50000000000000 0.67642069049114 0.87500000000000 22.990 > 13 24 Na 0.83333333333333 0.67642069049114 0.87500000000000 22.990 > 13 25 Cl 0.08469375453865 0.18796488340008 0.20210396516206 35.453 > 25 26 Cl 0.41802708787199 0.18796488340008 0.20210396516206 35.453 > 25 27 Cl 0.75136042120532 0.18796488340008 0.20210396516206 35.453 > 25 28 Cl 0.08469375453865 0.68796488340008 0.20210396516206 35.453 > 25 29 Cl 0.41802708787199 0.68796488340008 0.20210396516206 35.453 > 25 30 Cl 0.75136042120532 0.68796488340008 0.20210396516206 35.453 > 25 31 Cl 0.08469375453865 0.18796488340008 0.70210396516206 35.453 > 25 32 Cl 0.41802708787199 0.18796488340008 0.70210396516206 35.453 > 25 33 Cl 0.75136042120532 0.18796488340008 0.70210396516206 35.453 > 25 34 Cl 0.08469375453865 0.68796488340008 0.70210396516206 35.453 > 25 35 Cl 0.41802708787199 0.68796488340008 0.70210396516206 35.453 > 25 36 Cl 0.75136042120532 0.68796488340008 0.70210396516206 35.453 > 25 37 Cl 0.24863957879468 0.18796488340008 0.04789603483794 35.453 > 37 38 Cl 0.58197291212801 0.18796488340008 0.04789603483794 35.453 > 37 39 Cl 0.91530624546135 0.18796488340008 0.04789603483794 35.453 > 37 40 Cl 0.24863957879468 0.68796488340008 0.04789603483794 35.453 > 37 41 Cl 0.58197291212801 0.68796488340008 0.04789603483794 35.453 > 37 42 Cl 0.91530624546135 0.68796488340008 0.04789603483794 35.453 > 37 43 Cl 0.24863957879468 0.18796488340008 0.54789603483794 35.453 > 37 44 Cl 0.58197291212801 0.18796488340008 0.54789603483794 35.453 > 37 45 Cl 0.91530624546135 0.18796488340008 0.54789603483794 35.453 > 37 46 Cl 0.24863957879468 0.68796488340008 0.54789603483794 35.453 > 37 47 Cl 0.58197291212801 0.68796488340008 0.54789603483794 35.453 > 37 48 Cl 0.91530624546135 0.68796488340008 0.54789603483794 35.453 > 37 49 Cl 0.25876153343490 0.44809364903883 0.03264907227306 35.453 > 49 50 Cl 0.59209486676823 0.44809364903883 0.03264907227306 35.453 > 49 51 Cl 0.92542820010157 0.44809364903883 0.03264907227306 35.453 > 49 52 Cl 0.25876153343490 0.94809364903883 0.03264907227306 35.453 > 49 53 Cl 0.59209486676823 0.94809364903883 0.03264907227306 35.453 > 49 54 Cl 0.92542820010157 0.94809364903883 0.03264907227306 35.453 > 49 55 Cl 0.25876153343490 0.44809364903883 0.53264907227306 35.453 > 49 56 Cl 0.59209486676823 0.44809364903883 0.53264907227306 35.453 > 49 57 Cl 0.92542820010157 0.44809364903883 0.53264907227306 35.453 > 49 58 Cl 0.25876153343490 0.94809364903883 0.53264907227306 35.453 > 49 59 Cl 0.59209486676823 0.94809364903883 0.53264907227306 35.453 > 49 60 Cl 0.92542820010157 0.94809364903883 0.53264907227306 35.453 > 49 61 Cl 0.07457179989843 0.44809364903883 0.21735092772694 35.453 > 61 62 Cl 0.40790513323177 0.44809364903883 0.21735092772694 35.453 > 61 63 Cl 0.74123846656510 0.44809364903883 0.21735092772694 35.453 > 61 64 Cl 0.07457179989843 0.94809364903883 0.21735092772694 35.453 > 61 65 Cl 0.40790513323177 0.94809364903883 0.21735092772694 35.453 > 61 66 Cl 0.74123846656510 0.94809364903883 0.21735092772694 35.453 > 61 67 Cl 0.07457179989843 0.44809364903883 0.71735092772694 35.453 > 61 68 Cl 0.40790513323177 0.44809364903883 0.71735092772694 35.453 > 61 69 Cl 0.74123846656510 0.44809364903883 0.71735092772694 35.453 > 61 70 Cl 0.07457179989843 0.94809364903883 0.71735092772694 35.453 > 61 71 Cl 0.40790513323177 0.94809364903883 0.71735092772694 35.453 > 61 72 Cl 0.74123846656510 0.94809364903883 0.71735092772694 35.453 > 61 73 Cl 0.07457179989843 0.05190635096116 0.46735092772694 35.453 > 73 74 Cl 0.40790513323177 0.05190635096116 0.46735092772694 35.453 > 73 75 Cl 0.74123846656510 0.05190635096116 0.46735092772694 35.453 > 73 76 Cl 0.07457179989843 0.55190635096117 0.46735092772694 35.453 > 73 77 Cl 0.40790513323177 0.55190635096117 0.46735092772694 35.453 > 73 78 Cl 0.74123846656510 0.55190635096117 0.46735092772694 35.453 > 73 79 Cl 0.07457179989843 0.05190635096116 0.96735092772694 35.453 > 73 80 Cl 0.40790513323177 0.05190635096116 0.96735092772694 35.453 > 73 81 Cl 0.74123846656510 0.05190635096116 0.96735092772694 35.453 > 73 82 Cl 0.07457179989843 0.55190635096117 0.96735092772694 35.453 > 73 83 Cl 0.40790513323177 0.55190635096117 0.96735092772694 35.453 > 73 84 Cl 0.74123846656510 0.55190635096117 0.96735092772694 35.453 > 73 85 Cl 0.25876153343490 0.05190635096116 0.28264907227306 35.453 > 85 86 Cl 0.59209486676823 0.05190635096116 0.28264907227306 35.453 > 85 87 Cl 0.92542820010157 0.05190635096116 0.28264907227306 35.453 > 85 88 Cl 0.25876153343490 0.55190635096117 0.28264907227306 35.453 > 85 89 Cl 0.59209486676823 0.55190635096117 0.28264907227306 35.453 > 85 90 Cl 0.92542820010157 0.55190635096117 0.28264907227306 35.453 > 85 91 Cl 0.25876153343490 0.05190635096116 0.78264907227306 35.453 > 85 92 Cl 0.59209486676823 0.05190635096116 0.78264907227306 35.453 > 85 93 Cl 0.92542820010157 0.05190635096116 0.78264907227306 35.453 > 85 94 Cl 0.25876153343490 0.55190635096117 0.78264907227306 35.453 > 85 95 Cl 0.59209486676823 0.55190635096117 0.78264907227306 35.453 > 85 96 Cl 0.92542820010157 0.55190635096117 0.78264907227306 35.453 > 85 97 Cl 0.08469375453865 0.31203511659992 0.45210396516206 35.453 > 97 98 Cl 0.41802708787199 0.31203511659992 0.45210396516206 35.453 > 97 99 Cl 0.75136042120532 0.31203511659992 0.45210396516206 35.453 > 97 100 Cl 0.08469375453865 0.81203511659992 0.45210396516206 35.453 > 97 101 Cl 0.41802708787199 0.81203511659992 0.45210396516206 35.453 > 97 102 Cl 0.75136042120532 0.81203511659992 0.45210396516206 35.453 > 97 103 Cl 0.08469375453865 0.31203511659992 0.95210396516206 35.453 > 97 104 Cl 0.41802708787199 0.31203511659992 0.95210396516206 35.453 > 97 105 Cl 0.75136042120532 0.31203511659992 0.95210396516206 35.453 > 97 106 Cl 0.08469375453865 0.81203511659992 0.95210396516206 35.453 > 97 107 Cl 0.41802708787199 0.81203511659992 0.95210396516206 35.453 > 97 108 Cl 0.75136042120532 0.81203511659992 0.95210396516206 35.453 > 97 109 Cl 0.24863957879468 0.31203511659992 0.29789603483794 35.453 > 109 110 Cl 0.58197291212801 0.31203511659992 0.29789603483794 35.453 > 109 111 Cl 0.91530624546135 0.31203511659992 0.29789603483794 35.453 > 109 112 Cl 0.24863957879468 0.81203511659992 0.29789603483794 35.453 > 109 113 Cl 0.58197291212801 0.81203511659992 0.29789603483794 35.453 > 109 114 Cl 0.91530624546135 0.81203511659992 0.29789603483794 35.453 > 109 115 Cl 0.24863957879468 0.31203511659992 0.79789603483794 35.453 > 109 116 Cl 0.58197291212801 0.31203511659992 0.79789603483794 35.453 > 109 117 Cl 0.91530624546135 0.31203511659992 0.79789603483794 35.453 > 109 118 Cl 0.24863957879468 0.81203511659992 0.79789603483794 35.453 > 109 119 Cl 0.58197291212801 0.81203511659992 0.79789603483794 35.453 > 109 120 Cl 0.91530624546135 0.81203511659992 0.79789603483794 35.453 > 109 121 Er 0.00000000000000 0.07748574338453 0.12500000000000 167.259 > 121 122 Er 0.33333333333333 0.07748574338453 0.12500000000000 167.259 > 121 123 Er 0.66666666666667 0.07748574338453 0.12500000000000 167.259 > 121 124 Er 0.00000000000000 0.57748574338453 0.12500000000000 167.259 > 121 125 Er 0.33333333333333 0.57748574338453 0.12500000000000 167.259 > 121 126 Er 0.66666666666667 0.57748574338453 0.12500000000000 167.259 > 121 127 Er 0.00000000000000 0.07748574338453 0.62500000000000 167.259 > 121 128 Er 0.33333333333333 0.07748574338453 0.62500000000000 167.259 > 121 129 Er 0.66666666666667 0.07748574338453 0.62500000000000 167.259 > 121 130 Er 0.00000000000000 0.57748574338453 0.62500000000000 167.259 > 121 131 Er 0.33333333333333 0.57748574338453 0.62500000000000 167.259 > 121 132 Er 0.66666666666667 0.57748574338453 0.62500000000000 167.259 > 121 133 Er 0.00000000000000 0.42251425661547 0.37500000000000 167.259 > 133 134 Er 0.33333333333333 0.42251425661547 0.37500000000000 167.259 > 133 135 Er 0.66666666666667 0.42251425661547 0.37500000000000 167.259 > 133 136 Er 0.00000000000000 0.92251425661547 0.37500000000000 167.259 > 133 137 Er 0.33333333333333 0.92251425661547 0.37500000000000 167.259 > 133 138 Er 0.66666666666667 0.92251425661547 0.37500000000000 167.259 > 133 139 Er 0.00000000000000 0.42251425661547 0.87500000000000 167.259 > 133 140 Er 0.33333333333333 0.42251425661547 0.87500000000000 167.259 > 133 141 Er 0.66666666666667 0.42251425661547 0.87500000000000 167.259 > 133 142 Er 0.00000000000000 0.92251425661547 0.87500000000000 167.259 > 133 143 Er 0.33333333333333 0.92251425661547 0.87500000000000 167.259 > 133 144 Er 0.66666666666667 0.92251425661547 0.87500000000000 167.259 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8064731 0.0000000 0.0576786 0.0000000 2.9036270 0.0000000 0.0576789 0.0000000 2.9607074 -------------------------- Born effective charges -------------------------- 1 Na 1.3541858 0.0000000 -0.0018832 0.0000000 1.2389417 0.0000000 0.0505209 0.0000000 1.1704511 2 Na 1.3541858 0.0000000 -0.0018832 0.0000000 1.2389417 0.0000000 0.0505209 0.0000000 1.1704511 3 Cl -1.1665199 -0.5697296 -0.3591590 -0.6264275 -1.2986883 -0.3092042 -0.3858299 -0.2738977 -0.9697396 4 Cl -1.1665199 0.5697296 -0.3591590 0.6264275 -1.2986883 0.3092042 -0.3858299 0.2738977 -0.9697396 5 Cl -0.9538701 -0.2747948 0.2448771 -0.2688559 -1.0143997 -0.3700488 0.2691241 -0.4355119 -1.4877273 6 Cl -0.9538701 0.2747948 0.2448771 0.2688559 -1.0143997 0.3700488 0.2691241 0.4355119 -1.4877273 7 Cl -0.9538701 -0.2747948 0.2448771 -0.2688559 -1.0143997 -0.3700488 0.2691241 -0.4355119 -1.4877273 8 Cl -0.9538701 0.2747948 0.2448771 0.2688559 -1.0143997 0.3700488 0.2691241 0.4355119 -1.4877273 9 Cl -1.1665199 0.5697296 -0.3591590 0.6264275 -1.2986883 0.3092042 -0.3858299 0.2738977 -0.9697396 10 Cl -1.1665199 -0.5697296 -0.3591590 -0.6264275 -1.2986883 -0.3092042 -0.3858299 -0.2738977 -0.9697396 11 Er 2.8865942 0.0000000 0.2304469 0.0000000 3.3872343 0.0000000 0.1828906 0.0000000 3.7444827 12 Er 2.8865942 0.0000000 0.2304469 0.0000000 3.3872343 0.0000000 0.1828906 0.0000000 3.7444827 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 7 ] 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: 0.61, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 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 1.182 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.986 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.750 ( 0.000 0.000 0.000) 0.000 5.838 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 14.211 0.000 13.511) 19.609 0.345 ( 17.209 0.000 -2.372) 17.371 0.531 ( 25.078 0.000 10.127) 27.046 1.220 ( 3.552 0.000 1.736) 3.954 1.434 ( 4.006 0.000 1.826) 4.403 1.763 ( -2.635 0.000 -0.487) 2.680 1.807 ( -1.985 0.000 -0.807) 2.143 2.109 ( 3.725 0.000 -3.134) 4.868 2.120 ( 0.648 0.000 1.554) 1.683 2.229 ( -1.560 0.000 0.164) 1.569 2.251 ( -5.536 0.000 5.384) 7.723 2.464 ( 4.037 0.000 -6.020) 7.248 2.767 ( -0.242 0.000 0.974) 1.004 2.806 ( 2.965 0.000 0.654) 3.036 2.859 ( 0.004 0.000 10.671) 10.671 3.017 ( 0.641 0.000 1.498) 1.630 3.417 ( -1.578 0.000 -6.043) 6.246 3.672 ( -5.740 0.000 -6.010) 8.311 4.300 ( -3.350 0.000 -1.107) 3.529 4.525 ( -1.380 0.000 0.458) 1.454 4.577 ( 0.399 0.000 -34.520) 34.522 4.593 ( -2.740 0.000 1.074) 2.944 5.514 ( 0.276 0.000 38.811) 38.812 5.533 ( 0.603 0.000 1.189) 1.333 5.750 ( -0.272 0.000 -2.541) 2.555 5.830 ( -0.710 0.000 -0.910) 1.154 5.858 ( -0.398 0.000 1.077) 1.148 5.916 ( 0.551 0.000 -0.494) 0.740 6.463 ( 3.602 0.000 -25.821) 26.071 6.869 ( -0.005 0.000 2.374) 2.374 7.050 ( -0.357 0.000 -0.080) 0.366 7.081 ( 0.744 0.000 -1.298) 1.496 7.934 ( -4.681 0.000 -3.031) 5.577 8.301 ( 3.004 0.000 2.139) 3.687 8.689 ( -1.755 0.000 0.683) 1.883 8.995 ( -1.351 0.000 30.098) 30.128 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 11.425 0.000 11.344) 16.100 0.662 ( 14.573 0.000 -1.687) 14.671 0.972 ( 18.045 0.000 2.224) 18.181 1.316 ( 5.792 0.000 1.782) 6.060 1.579 ( 9.771 0.000 8.930) 13.237 1.701 ( -2.778 0.000 2.886) 4.006 1.752 ( -3.148 0.000 -1.321) 3.414 2.127 ( -2.986 0.000 4.382) 5.303 2.167 ( -0.546 0.000 4.684) 4.716 2.180 ( 3.086 0.000 -0.267) 3.098 2.204 ( -0.553 0.000 0.465) 0.723 2.514 ( 1.445 0.000 -5.416) 5.605 2.723 ( -3.835 0.000 -10.073) 10.778 2.875 ( 1.278 0.000 3.916) 4.119 2.898 ( 2.449 0.000 11.279) 11.542 3.024 ( 2.129 0.000 -5.698) 6.082 3.397 ( 0.315 0.000 -5.195) 5.204 3.505 ( -9.815 0.000 -9.274) 13.503 4.231 ( -3.146 0.000 -0.613) 3.206 4.488 ( -2.661 0.000 3.208) 4.168 4.519 ( -4.145 0.000 -0.955) 4.254 4.539 ( -1.899 0.000 -14.475) 14.599 5.549 ( 0.781 0.000 1.498) 1.690 5.558 ( 1.311 0.000 19.626) 19.670 5.742 ( -0.231 0.000 -2.053) 2.066 5.812 ( -1.010 0.000 0.703) 1.231 5.850 ( -0.452 0.000 -0.491) 0.667 5.928 ( 0.692 0.000 -0.704) 0.987 6.529 ( 4.424 0.000 -10.785) 11.657 6.875 ( 0.358 0.000 3.756) 3.773 7.036 ( -1.028 0.000 -0.082) 1.031 7.096 ( 0.871 0.000 -1.843) 2.039 7.824 ( -5.654 0.000 -3.958) 6.902 8.366 ( 3.016 0.000 2.347) 3.822 8.646 ( -2.506 0.000 0.823) 2.637 8.995 ( -0.499 0.000 12.298) 12.308 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 6.713 0.000 6.952) 9.664 0.896 ( 8.707 0.000 -0.810) 8.744 1.239 ( 9.691 0.000 -3.745) 10.390 1.433 ( 5.182 0.000 0.608) 5.217 1.580 ( -5.210 0.000 0.670) 5.253 1.695 ( -1.948 0.000 -1.855) 2.690 1.899 ( 15.420 0.000 16.936) 22.904 2.035 ( -5.025 0.000 4.242) 6.576 2.195 ( -0.943 0.000 2.476) 2.650 2.219 ( 3.882 0.000 6.604) 7.661 2.243 ( 3.993 0.000 -0.634) 4.043 2.507 ( -1.890 0.000 -6.690) 6.951 2.600 ( -7.848 0.000 -12.314) 14.603 2.822 ( -4.150 0.000 2.504) 4.847 2.944 ( 0.740 0.000 4.932) 4.987 3.139 ( 7.880 0.000 -7.795) 11.084 3.314 ( -7.269 0.000 -6.444) 9.714 3.400 ( -0.479 0.000 0.316) 0.574 4.183 ( -1.609 0.000 -0.307) 1.638 4.415 ( -4.048 0.000 3.285) 5.213 4.464 ( -1.569 0.000 -1.628) 2.261 4.487 ( -2.044 0.000 -6.160) 6.490 5.562 ( 0.433 0.000 0.895) 0.995 5.592 ( 0.739 0.000 9.511) 9.540 5.738 ( -0.015 0.000 -1.319) 1.319 5.796 ( -0.579 0.000 1.513) 1.620 5.841 ( -0.348 0.000 -1.332) 1.377 5.939 ( 0.456 0.000 -0.495) 0.673 6.606 ( 3.606 0.000 -4.563) 5.815 6.888 ( 0.562 0.000 3.076) 3.127 7.011 ( -1.381 0.000 0.008) 1.381 7.109 ( 0.502 0.000 -1.378) 1.466 7.722 ( -3.888 0.000 -2.930) 4.869 8.416 ( 1.777 0.000 1.471) 2.307 8.602 ( -1.790 0.000 0.494) 1.857 8.996 ( -0.141 0.000 5.085) 5.087 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 0.000 0.000) 0.000 0.985 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 -0.000) 0.000 1.488 ( 0.000 0.000 -0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 -0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.144 ( -0.000 0.000 -0.000) 0.000 2.285 ( 0.000 0.000 -0.000) 0.000 2.376 ( -0.000 0.000 -0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 -0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 -0.000) 0.000 3.381 ( 0.000 0.000 -0.000) 0.000 4.167 ( 0.000 0.000 -0.000) 0.000 4.372 ( 0.000 0.000 -0.000) 0.000 4.447 ( 0.000 0.000 -0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 5.567 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 -0.000) 0.000 5.791 ( 0.000 0.000 -0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 -0.000) 0.000 6.896 ( 0.000 0.000 -0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 -0.000) 0.000 8.583 ( 0.000 0.000 -0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 0.000 15.356 0.000) 15.356 0.336 ( 0.000 17.300 0.000) 17.300 0.525 ( 0.000 26.451 0.000) 26.451 1.158 ( 0.000 -1.783 0.000) 1.783 1.436 ( 0.000 4.461 0.000) 4.461 1.762 ( 0.000 -5.425 0.000) 5.425 1.865 ( 0.000 6.907 0.000) 6.907 1.926 ( 0.000 -3.160 0.000) 3.160 2.123 ( 0.000 -5.011 0.000) 5.011 2.256 ( 0.000 1.125 0.000) 1.125 2.359 ( 0.000 -2.923 0.000) 2.923 2.484 ( 0.000 -0.801 0.000) 0.801 2.506 ( 0.000 7.957 0.000) 7.957 2.865 ( 0.000 0.705 0.000) 0.705 2.946 ( 0.000 13.685 0.000) 13.685 3.110 ( 0.000 1.514 0.000) 1.514 3.497 ( 0.000 -6.732 0.000) 6.732 3.751 ( 0.000 0.266 0.000) 0.266 4.247 ( 0.000 -4.559 0.000) 4.559 4.282 ( 0.000 -5.136 0.000) 5.136 4.574 ( 0.000 -4.680 0.000) 4.680 4.954 ( 0.000 1.571 0.000) 1.571 5.208 ( 0.000 2.110 0.000) 2.110 5.522 ( 0.000 -0.450 0.000) 0.450 5.738 ( 0.000 -1.115 0.000) 1.115 5.834 ( 0.000 -0.459 0.000) 0.459 5.913 ( 0.000 0.311 0.000) 0.311 6.019 ( 0.000 0.010 0.000) 0.010 6.353 ( 0.000 0.105 0.000) 0.105 7.060 ( 0.000 0.704 0.000) 0.704 7.079 ( 0.000 0.628 0.000) 0.628 7.633 ( 0.000 0.223 0.000) 0.223 7.788 ( 0.000 -1.541 0.000) 1.541 7.972 ( 0.000 -1.653 0.000) 1.653 8.723 ( 0.000 1.576 0.000) 1.576 8.963 ( 0.000 -1.068 0.000) 1.068 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 5.641 9.071 6.064) 12.283 0.433 ( 10.606 9.214 13.226) 19.296 0.793 ( 17.521 17.413 -0.364) 24.705 1.206 ( 4.346 -1.308 0.836) 4.615 1.478 ( 4.215 4.559 4.282) 7.543 1.784 ( 0.263 -3.373 -1.751) 3.809 1.790 ( -5.285 2.602 0.860) 5.954 1.978 ( 3.597 -5.496 -1.641) 6.770 2.141 ( 0.358 -4.007 3.673) 5.448 2.241 ( -1.088 1.451 0.714) 1.949 2.279 ( -5.072 1.544 3.499) 6.352 2.509 ( 3.306 4.176 -7.995) 9.607 2.670 ( 9.170 -3.625 6.473) 11.795 2.829 ( -2.875 0.581 -2.436) 3.813 2.955 ( 0.703 12.208 2.820) 12.550 3.072 ( -2.387 2.457 -0.941) 3.553 3.424 ( -4.121 -2.371 -5.836) 7.528 3.686 ( -6.181 -0.158 -4.770) 7.810 4.239 ( -1.573 -4.315 0.044) 4.593 4.365 ( 5.731 -8.182 -10.366) 14.396 4.553 ( -2.243 -4.096 1.033) 4.783 4.764 ( -10.242 8.154 -7.491) 15.083 5.357 ( 6.919 -6.072 18.899) 21.022 5.529 ( 0.577 -0.457 1.082) 1.309 5.729 ( -0.830 -1.156 -1.066) 1.778 5.832 ( -0.148 -0.106 -0.694) 0.718 5.917 ( 0.283 0.364 0.665) 0.809 5.973 ( -2.856 3.712 5.572) 7.279 6.436 ( 6.378 -0.681 -12.068) 13.666 7.036 ( -3.502 2.486 0.011) 4.295 7.071 ( -1.277 1.318 1.819) 2.584 7.185 ( -10.874 13.821 -9.131) 19.815 7.922 ( -4.241 -1.233 -2.971) 5.323 8.170 ( 11.296 -9.869 7.064) 16.580 8.706 ( -1.594 1.561 0.074) 2.232 8.946 ( -1.637 -3.033 14.592) 14.993 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 13.959 -3.645 2.416) 14.628 0.663 ( 10.698 3.187 10.373) 15.238 1.099 ( 12.105 9.108 -1.797) 15.255 1.315 ( 6.071 -0.607 1.232) 6.225 1.602 ( 4.197 1.867 5.582) 7.229 1.701 ( 0.484 2.253 6.648) 7.036 1.769 ( -1.254 -0.178 -1.738) 2.151 2.059 ( 3.262 -6.310 0.416) 7.115 2.098 ( -3.796 -5.471 3.121) 7.354 2.216 ( -0.772 2.949 5.150) 5.984 2.249 ( 1.692 3.746 1.133) 4.264 2.547 ( 0.808 3.716 -6.826) 7.814 2.741 ( -4.241 1.321 -8.716) 9.782 2.836 ( 4.790 -4.653 9.821) 11.877 2.939 ( -3.831 3.853 5.708) 7.881 3.072 ( 4.155 6.117 -8.885) 11.559 3.355 ( -2.983 -3.039 -8.361) 9.383 3.523 ( -8.549 -0.395 -5.226) 10.027 4.211 ( -1.010 -1.213 -0.173) 1.588 4.424 ( 0.696 -6.343 -5.718) 8.569 4.492 ( -3.426 -2.956 -0.415) 4.544 4.595 ( -6.629 4.862 -2.582) 8.617 5.479 ( 4.207 -5.243 14.529) 16.008 5.543 ( 0.589 -0.697 1.220) 1.523 5.705 ( -1.362 -1.421 -2.493) 3.176 5.829 ( -0.028 0.226 -0.772) 0.805 5.912 ( -1.157 2.257 3.334) 4.189 5.948 ( 0.048 2.831 1.218) 3.083 6.544 ( 5.422 1.576 -9.265) 10.850 6.951 ( -2.858 5.839 2.775) 7.068 7.046 ( -1.366 1.089 1.262) 2.155 7.120 ( -0.205 2.737 -4.482) 5.256 7.820 ( -5.177 -0.358 -3.766) 6.412 8.313 ( 4.323 -5.158 3.641) 7.652 8.668 ( -2.074 1.917 0.313) 2.841 8.931 ( -1.001 -5.570 9.616) 11.158 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 8.951 -1.093 3.703) 9.749 0.860 ( 8.592 -1.856 2.416) 9.117 1.239 ( 2.297 -1.081 -1.825) 3.127 1.427 ( 4.799 -0.853 -0.211) 4.878 1.556 ( -3.056 -0.236 -0.308) 3.081 1.748 ( -0.362 3.397 -1.664) 3.800 1.896 ( 6.945 -1.762 11.289) 13.371 1.996 ( 0.884 -1.253 6.848) 7.017 2.158 ( 3.741 -4.561 0.335) 5.908 2.222 ( 0.509 2.614 5.145) 5.793 2.324 ( 5.591 4.820 4.482) 8.636 2.525 ( -2.652 2.680 -7.875) 8.731 2.613 ( -7.194 1.250 -9.822) 12.239 2.823 ( -4.948 -0.462 4.016) 6.390 2.921 ( 0.604 -1.577 2.219) 2.788 3.179 ( 5.545 2.395 -9.009) 10.846 3.255 ( -4.470 -2.991 -5.870) 7.961 3.406 ( -3.383 -0.896 0.736) 3.576 4.203 ( 0.187 1.945 -0.380) 1.990 4.376 ( -3.946 -3.965 1.296) 5.742 4.451 ( -0.930 -2.924 -4.445) 5.402 4.496 ( -3.160 2.558 -0.149) 4.068 5.544 ( 0.697 -3.114 3.046) 4.411 5.563 ( 2.084 -1.474 7.738) 8.148 5.673 ( -1.508 -2.140 -4.038) 4.813 5.831 ( 0.213 0.005 -0.688) 0.720 5.892 ( -0.858 3.693 2.400) 4.488 5.956 ( 0.421 1.981 0.173) 2.032 6.629 ( 3.556 2.276 -4.710) 6.326 6.927 ( -0.375 3.691 2.838) 4.671 7.018 ( -1.360 0.863 0.615) 1.724 7.117 ( 0.078 0.804 -2.470) 2.599 7.730 ( -3.344 0.820 -2.552) 4.286 8.370 ( 1.505 -4.127 1.860) 4.770 8.635 ( -1.061 2.839 0.204) 3.038 8.922 ( -0.523 -7.202 4.420) 8.466 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.000 1.345 0.000) 1.345 0.967 ( 0.000 -1.711 0.000) 1.711 1.235 ( 0.000 -9.729 -0.000) 9.729 1.499 ( 0.000 0.981 -0.000) 0.981 1.509 ( -0.000 0.169 0.000) 0.169 1.753 ( 0.000 5.663 0.000) 5.663 1.876 ( 0.000 -7.626 -0.000) 7.626 2.140 ( 0.000 0.948 0.000) 0.948 2.190 ( 0.000 -0.401 0.000) 0.401 2.237 ( 0.000 0.897 -0.000) 0.897 2.436 ( -0.000 1.802 -0.000) 1.802 2.456 ( 0.000 -0.039 -0.000) 0.039 2.490 ( 0.000 8.414 0.000) 8.414 2.764 ( 0.000 -0.905 0.000) 0.905 2.914 ( 0.000 -2.575 -0.000) 2.575 3.183 ( 0.000 -5.449 0.000) 5.449 3.283 ( -0.000 4.539 0.000) 4.539 3.355 ( 0.000 -3.058 -0.000) 3.058 4.209 ( 0.000 4.180 0.000) 4.180 4.328 ( 0.000 -4.420 0.000) 4.420 4.438 ( 0.000 -2.549 -0.000) 2.549 4.467 ( 0.000 1.904 0.000) 1.904 5.548 ( 0.000 -2.530 0.000) 2.530 5.598 ( 0.000 -0.467 0.000) 0.467 5.649 ( 0.000 -3.607 -0.000) 3.607 5.833 ( 0.000 -0.371 -0.000) 0.371 5.885 ( 0.000 4.265 -0.000) 4.265 5.961 ( 0.000 1.922 -0.000) 1.922 6.664 ( 0.000 2.062 -0.000) 2.062 6.927 ( 0.000 3.039 -0.000) 3.039 7.003 ( 0.000 0.950 -0.000) 0.950 7.117 ( 0.000 0.317 0.000) 0.317 7.694 ( 0.000 1.519 0.000) 1.519 8.384 ( 0.000 -4.219 0.000) 4.219 8.626 ( 0.000 3.470 0.000) 3.470 8.919 ( 0.000 -7.866 -0.000) 7.866 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 13.263 0.000) 13.263 0.641 ( 0.000 14.807 0.000) 14.807 0.968 ( 0.000 19.776 0.000) 19.776 1.127 ( 0.000 -1.710 0.000) 1.710 1.493 ( 0.000 0.952 0.000) 0.952 1.676 ( 0.000 -3.409 0.000) 3.409 1.875 ( 0.000 -4.126 0.000) 4.126 1.979 ( 0.000 -5.424 0.000) 5.424 2.003 ( 0.000 6.087 0.000) 6.087 2.298 ( 0.000 -3.891 0.000) 3.891 2.306 ( 0.000 4.589 0.000) 4.589 2.465 ( 0.000 -1.103 0.000) 1.103 2.729 ( 0.000 13.195 0.000) 13.195 2.896 ( 0.000 2.641 0.000) 2.641 3.139 ( 0.000 1.289 0.000) 1.289 3.215 ( 0.000 13.724 0.000) 13.724 3.362 ( 0.000 -6.938 0.000) 6.938 3.697 ( 0.000 -6.156 0.000) 6.156 4.135 ( 0.000 -6.652 0.000) 6.652 4.193 ( 0.000 -3.347 0.000) 3.347 4.453 ( 0.000 -7.741 0.000) 7.741 4.982 ( 0.000 1.172 0.000) 1.172 5.262 ( 0.000 3.468 0.000) 3.468 5.504 ( 0.000 -1.601 0.000) 1.601 5.717 ( 0.000 -0.911 0.000) 0.911 5.821 ( 0.000 -0.857 0.000) 0.857 5.921 ( 0.000 0.503 0.000) 0.503 6.018 ( 0.000 -0.102 0.000) 0.102 6.355 ( 0.000 0.087 0.000) 0.087 7.076 ( 0.000 0.850 0.000) 0.850 7.094 ( 0.000 0.818 0.000) 0.818 7.638 ( 0.000 0.309 0.000) 0.309 7.753 ( 0.000 -1.937 0.000) 1.937 7.934 ( 0.000 -2.100 0.000) 2.100 8.763 ( 0.000 2.627 0.000) 2.627 8.934 ( 0.000 -2.002 0.000) 2.002 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -4.350 17.329 4.711) 18.477 0.631 ( 5.420 10.716 6.235) 13.531 1.081 ( 8.970 12.168 -1.251) 15.169 1.177 ( 4.411 -2.034 0.328) 4.869 1.554 ( 5.558 1.640 4.384) 7.266 1.699 ( 1.712 -3.510 0.164) 3.909 1.803 ( -5.852 -0.901 -0.042) 5.921 1.979 ( -0.626 -2.744 -1.124) 3.030 2.018 ( 1.189 -0.319 1.674) 2.078 2.265 ( -1.677 -1.720 1.119) 2.650 2.307 ( -0.670 4.638 2.752) 5.435 2.522 ( 4.876 -2.146 -0.203) 5.331 2.751 ( 1.690 8.042 -2.600) 8.619 2.866 ( -2.804 3.930 -2.196) 5.304 3.080 ( -5.178 0.967 5.110) 7.339 3.223 ( 0.683 12.406 -5.553) 13.610 3.348 ( -0.982 -4.230 -4.153) 6.009 3.624 ( -6.592 -6.043 -5.089) 10.289 4.166 ( 1.703 -4.386 0.972) 4.804 4.225 ( 3.661 -5.133 -4.746) 7.891 4.444 ( -1.001 -7.139 0.016) 7.209 4.867 ( -9.377 3.306 -0.211) 9.945 5.321 ( 4.424 0.984 7.926) 9.130 5.511 ( 0.531 -1.588 0.582) 1.773 5.711 ( -0.653 -0.611 -0.385) 0.974 5.824 ( 0.232 -0.717 -0.006) 0.754 5.925 ( 0.268 0.382 0.960) 1.067 6.005 ( -1.180 0.597 4.846) 5.024 6.438 ( 7.405 0.526 -6.892) 10.130 7.061 ( -1.505 0.946 0.104) 1.781 7.090 ( -0.542 0.872 1.507) 1.824 7.372 ( -12.492 5.840 -8.320) 16.105 7.893 ( -3.340 -1.588 -2.851) 4.669 8.011 ( 11.987 -6.557 7.672) 15.670 8.744 ( -1.790 2.379 0.283) 2.991 8.897 ( -3.346 -2.382 4.858) 6.361 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 4.818 9.641 4.555) 11.701 0.763 ( 6.509 6.622 6.967) 11.608 1.216 ( 2.125 0.577 -1.566) 2.702 1.291 ( 7.420 -0.190 0.035) 7.423 1.648 ( -3.913 2.523 2.570) 5.319 1.702 ( 4.572 -4.728 4.712) 8.090 1.778 ( 4.898 2.709 -0.110) 5.599 1.964 ( -1.006 -4.586 1.027) 4.806 2.022 ( -0.001 0.619 1.845) 1.946 2.272 ( 2.632 -1.441 2.674) 4.019 2.296 ( -0.487 5.604 4.702) 7.331 2.611 ( 3.225 0.050 -1.737) 3.663 2.743 ( -4.156 -2.026 -5.897) 7.493 2.815 ( -0.663 5.294 2.323) 5.819 2.977 ( -4.686 1.141 1.158) 4.960 3.228 ( 0.010 6.770 -6.870) 9.645 3.309 ( -3.360 -1.345 -8.440) 9.183 3.471 ( -6.686 -3.278 -3.385) 8.179 4.194 ( 1.390 -1.284 -0.780) 2.047 4.293 ( 2.541 -5.859 -2.939) 7.030 4.413 ( -1.855 -5.162 -0.840) 5.549 4.681 ( -8.540 3.702 0.962) 9.358 5.419 ( 4.264 -0.987 8.585) 9.637 5.520 ( 0.326 -1.753 1.114) 2.102 5.690 ( -1.289 -0.228 -1.703) 2.148 5.827 ( -0.005 -0.482 -0.306) 0.571 5.930 ( 0.039 0.481 1.623) 1.693 5.993 ( -0.355 1.325 4.909) 5.097 6.582 ( 6.972 2.222 -7.590) 10.543 7.021 ( -2.197 1.741 1.125) 3.021 7.074 ( -1.255 1.489 4.171) 4.603 7.197 ( -4.892 4.530 -7.898) 10.335 7.813 ( -3.796 -0.296 -3.236) 4.997 8.196 ( 6.382 -6.527 5.266) 10.539 8.704 ( -1.946 1.723 -0.173) 2.605 8.831 ( -3.546 -4.321 5.176) 7.618 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 9.918 0.386 1.590) 10.052 0.879 ( 4.308 3.172 4.511) 6.998 1.164 ( -6.216 -6.687 1.218) 9.211 1.427 ( 6.057 1.065 -3.205) 6.935 1.569 ( -2.985 1.150 0.313) 3.214 1.761 ( 0.265 -4.165 1.878) 4.577 1.852 ( -1.114 0.609 1.112) 1.687 2.010 ( 8.307 -1.919 3.984) 9.411 2.078 ( 4.712 0.294 2.084) 5.161 2.299 ( 0.284 5.324 7.576) 9.264 2.359 ( 4.935 -1.209 4.263) 6.633 2.594 ( -7.252 0.287 -8.625) 11.273 2.646 ( -0.747 3.565 -3.027) 4.736 2.803 ( -1.634 0.304 8.626) 8.784 2.920 ( -1.722 1.335 -5.292) 5.723 3.138 ( -6.885 -3.371 -11.974) 14.218 3.262 ( 0.367 -1.923 -1.831) 2.681 3.398 ( -1.616 2.564 -1.067) 3.213 4.219 ( 1.069 -2.016 -1.700) 2.846 4.310 ( -0.403 -1.022 2.062) 2.336 4.382 ( -0.979 -3.851 -3.178) 5.088 4.551 ( -4.479 2.732 1.014) 5.344 5.479 ( 0.878 -2.697 2.398) 3.715 5.543 ( 2.207 -0.993 5.967) 6.439 5.657 ( -1.849 -0.152 -3.804) 4.232 5.824 ( -0.138 -0.575 -0.442) 0.739 5.930 ( -0.033 1.047 1.458) 1.796 5.997 ( 0.264 1.559 2.659) 3.094 6.680 ( 3.391 2.832 -4.901) 6.598 6.991 ( -0.856 2.152 1.728) 2.890 7.051 ( -1.308 2.627 4.009) 4.968 7.136 ( -1.354 1.144 -5.985) 6.242 7.755 ( -1.697 1.920 -1.693) 3.071 8.283 ( 2.381 -4.740 2.713) 5.958 8.681 ( -0.111 0.678 -0.920) 1.148 8.770 ( -3.024 -6.832 3.438) 8.224 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.000 0.881 0.000) 0.881 0.928 ( 0.000 -2.261 0.000) 2.261 1.055 ( 0.000 -7.489 -0.000) 7.489 1.517 ( 0.000 0.696 -0.000) 0.696 1.519 ( -0.000 1.440 0.000) 1.440 1.737 ( -0.000 -6.603 0.000) 6.603 1.848 ( 0.000 3.729 -0.000) 3.729 2.103 ( 0.000 -7.048 -0.000) 7.048 2.169 ( 0.000 2.066 0.000) 2.066 2.319 ( 0.000 5.797 -0.000) 5.797 2.419 ( -0.000 -2.515 -0.000) 2.515 2.476 ( 0.000 0.794 0.000) 0.794 2.643 ( 0.000 6.062 -0.000) 6.062 2.785 ( 0.000 3.543 0.000) 3.543 2.877 ( 0.000 0.084 0.000) 0.084 3.066 ( 0.000 -6.311 0.000) 6.311 3.270 ( 0.000 -5.505 0.000) 5.505 3.381 ( 0.000 4.700 -0.000) 4.700 4.229 ( 0.000 -4.959 0.000) 4.959 4.304 ( 0.000 5.142 -0.000) 5.142 4.370 ( 0.000 -4.512 0.000) 4.512 4.508 ( 0.000 2.129 -0.000) 2.129 5.483 ( 0.000 -3.314 0.000) 3.314 5.588 ( 0.000 -0.572 -0.000) 0.572 5.621 ( 0.000 -0.251 0.000) 0.251 5.822 ( 0.000 -0.698 -0.000) 0.698 5.931 ( 0.000 1.309 -0.000) 1.309 6.001 ( 0.000 1.636 0.000) 1.636 6.710 ( 0.000 2.497 0.000) 2.497 6.985 ( 0.000 2.118 -0.000) 2.118 7.038 ( 0.000 3.157 -0.000) 3.157 7.121 ( 0.000 0.036 0.000) 0.036 7.740 ( 0.000 3.245 -0.000) 3.245 8.306 ( 0.000 -3.695 0.000) 3.695 8.690 ( 0.000 3.042 -0.000) 3.042 8.731 ( 0.000 -11.030 0.000) 11.030 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 5.846 0.000) 5.846 0.879 ( 0.000 9.516 0.000) 9.516 1.076 ( 0.000 -3.911 0.000) 3.911 1.235 ( 0.000 7.660 0.000) 7.660 1.504 ( 0.000 1.167 0.000) 1.167 1.616 ( 0.000 -2.955 0.000) 2.955 1.747 ( 0.000 -5.475 0.000) 5.475 1.992 ( 0.000 2.932 0.000) 2.932 2.068 ( 0.000 1.302 0.000) 1.302 2.222 ( 0.000 -3.287 0.000) 3.287 2.402 ( 0.000 4.068 0.000) 4.068 2.447 ( 0.000 -0.907 0.000) 0.907 2.933 ( 0.000 6.695 0.000) 6.695 2.957 ( 0.000 2.958 0.000) 2.958 3.159 ( 0.000 0.996 0.000) 0.996 3.256 ( 0.000 -3.832 0.000) 3.832 3.416 ( 0.000 6.235 0.000) 6.235 3.564 ( 0.000 -5.618 0.000) 5.618 4.034 ( 0.000 -3.080 0.000) 3.080 4.161 ( 0.000 -0.564 0.000) 0.564 4.317 ( 0.000 -5.157 0.000) 5.157 4.996 ( 0.000 0.350 0.000) 0.350 5.326 ( 0.000 2.652 0.000) 2.652 5.466 ( 0.000 -1.935 0.000) 1.935 5.707 ( 0.000 -0.178 0.000) 0.178 5.806 ( 0.000 -0.492 0.000) 0.492 5.929 ( 0.000 0.266 0.000) 0.266 6.016 ( 0.000 -0.090 0.000) 0.090 6.356 ( 0.000 0.023 0.000) 0.023 7.088 ( 0.000 0.369 0.000) 0.369 7.106 ( 0.000 0.378 0.000) 0.378 7.643 ( 0.000 0.148 0.000) 0.148 7.725 ( 0.000 -0.868 0.000) 0.868 7.903 ( 0.000 -0.951 0.000) 0.951 8.814 ( 0.000 2.387 0.000) 2.387 8.892 ( 0.000 -2.112 0.000) 2.112 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 2.781 5.232 3.279) 6.772 0.867 ( -1.859 12.798 0.743) 12.954 1.104 ( 2.031 -6.023 1.429) 6.515 1.231 ( 1.287 3.693 1.388) 4.150 1.536 ( 2.472 -1.572 2.635) 3.941 1.672 ( 5.113 -0.304 4.322) 6.701 1.786 ( 2.285 -1.398 -4.180) 4.965 1.884 ( -5.771 -1.813 2.379) 6.500 2.105 ( 0.771 4.590 -2.479) 5.273 2.206 ( -1.151 -3.827 -0.069) 3.997 2.414 ( 0.392 4.981 1.746) 5.293 2.484 ( 3.717 -1.821 0.670) 4.193 2.822 ( -6.940 0.835 -1.921) 7.249 2.989 ( 0.124 5.990 -1.237) 6.118 3.092 ( -5.578 0.459 3.854) 6.796 3.276 ( 1.344 -2.010 -4.751) 5.331 3.386 ( -4.775 1.304 -1.306) 5.120 3.533 ( -1.208 -0.532 -7.812) 7.923 4.074 ( 3.267 -3.377 1.229) 4.857 4.195 ( 3.249 0.400 -2.567) 4.160 4.313 ( -0.293 -5.369 -0.177) 5.380 4.903 ( -8.217 0.841 1.288) 8.360 5.359 ( 2.871 2.165 4.846) 6.034 5.472 ( 0.481 -2.021 -0.301) 2.099 5.707 ( -0.214 0.107 0.226) 0.329 5.810 ( 0.278 -0.583 0.397) 0.758 5.930 ( 0.101 0.163 1.248) 1.263 6.010 ( -0.630 0.089 4.246) 4.294 6.447 ( 8.334 0.323 -5.412) 9.942 7.074 ( -1.368 0.398 0.247) 1.446 7.102 ( -0.449 0.370 1.402) 1.517 7.435 ( -10.643 1.395 -7.773) 13.253 7.870 ( -2.792 -0.718 -2.833) 4.041 7.927 ( 10.112 -2.296 7.167) 12.605 8.791 ( -2.136 2.385 1.243) 3.434 8.853 ( -3.755 -2.246 1.362) 4.583 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -1.846 12.378 4.293) 13.230 0.876 ( 3.301 4.150 2.524) 5.873 1.103 ( -2.725 -9.117 2.377) 9.808 1.324 ( 6.943 1.426 -2.060) 7.381 1.588 ( 2.242 -4.047 3.080) 5.558 1.700 ( -4.275 1.316 4.294) 6.200 1.831 ( 6.296 2.538 -1.112) 6.879 1.881 ( 1.873 -3.289 -0.526) 3.821 2.102 ( 0.176 5.625 0.780) 5.682 2.211 ( 2.431 -4.554 1.419) 5.354 2.416 ( -0.404 6.214 5.431) 8.263 2.556 ( 2.202 -4.373 2.881) 5.681 2.697 ( -4.545 -1.693 -5.425) 7.277 2.962 ( -3.189 6.428 2.508) 7.601 2.992 ( -3.643 1.094 -1.603) 4.128 3.241 ( -8.183 -5.838 -4.799) 11.139 3.267 ( -2.027 0.275 -9.622) 9.838 3.502 ( -1.900 3.768 -4.729) 6.338 4.141 ( 3.082 -2.628 -2.061) 4.545 4.257 ( 2.268 1.097 -0.105) 2.521 4.314 ( 1.014 -4.633 -1.059) 4.859 4.727 ( -8.737 1.212 1.935) 9.030 5.430 ( 3.144 1.752 5.785) 6.813 5.479 ( 0.419 -2.436 0.991) 2.663 5.693 ( -1.236 0.272 -1.402) 1.889 5.815 ( 0.093 -0.530 0.362) 0.648 5.936 ( 0.327 0.179 1.343) 1.394 6.005 ( -0.174 0.244 5.600) 5.608 6.616 ( 8.023 1.078 -6.889) 10.630 7.040 ( -1.861 0.470 0.787) 2.075 7.093 ( -0.651 0.470 4.005) 4.085 7.258 ( -6.475 1.640 -8.140) 10.530 7.811 ( -2.192 -0.014 -2.725) 3.498 8.098 ( 6.676 -3.104 5.696) 9.308 8.727 ( -5.017 0.678 -0.246) 5.069 8.778 ( -2.799 -1.375 2.742) 4.153 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 1.584 6.778 2.815) 7.508 0.922 ( -0.053 -1.591 2.925) 3.330 1.030 ( -3.143 -4.856 1.401) 5.952 1.451 ( 5.713 1.012 -4.044) 7.072 1.595 ( -1.636 1.768 1.679) 2.936 1.658 ( -0.786 -4.931 2.932) 5.791 1.877 ( 0.400 1.067 -1.357) 1.772 1.945 ( 2.884 -2.372 -0.807) 3.820 2.149 ( 4.138 4.107 1.435) 6.004 2.302 ( 5.400 -3.312 5.918) 8.669 2.415 ( -0.044 6.050 8.097) 10.108 2.538 ( -3.538 -4.964 1.123) 6.198 2.661 ( 0.457 -0.541 -3.592) 3.661 2.889 ( -3.298 3.860 3.659) 6.258 2.948 ( -1.016 3.774 -4.669) 6.089 3.079 ( -7.127 -4.728 -9.637) 12.885 3.203 ( -2.795 -1.266 -6.137) 6.861 3.453 ( -2.395 1.480 -1.269) 3.088 4.177 ( 0.842 -0.627 -2.064) 2.316 4.277 ( 0.352 -3.008 0.382) 3.053 4.354 ( 2.260 0.547 -0.790) 2.456 4.588 ( -5.088 1.073 1.467) 5.402 5.448 ( -0.606 -0.695 -0.277) 0.963 5.528 ( 3.247 -0.512 7.324) 8.028 5.658 ( -1.997 0.114 -3.796) 4.291 5.813 ( -0.194 -0.424 0.113) 0.480 5.944 ( 0.300 0.374 0.853) 0.979 6.012 ( 0.271 0.242 3.668) 3.686 6.722 ( 3.147 1.271 -5.039) 6.076 7.012 ( -0.892 0.447 1.102) 1.487 7.088 ( -0.175 0.900 6.933) 6.994 7.159 ( -3.071 0.989 -8.877) 9.445 7.793 ( 0.361 1.520 -1.033) 1.873 8.208 ( 4.155 -2.629 3.566) 6.074 8.617 ( -5.202 -3.415 -0.864) 6.282 8.744 ( -1.207 0.699 1.541) 2.078 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.000 -2.913 0.000) 2.913 0.891 ( 0.000 -1.269 0.000) 1.269 1.011 ( 0.000 0.911 0.000) 0.911 1.522 ( 0.000 -0.039 -0.000) 0.039 1.571 ( 0.000 3.612 -0.000) 3.612 1.639 ( -0.000 -3.776 -0.000) 3.776 1.886 ( 0.000 0.630 0.000) 0.630 1.970 ( 0.000 -5.227 -0.000) 5.227 2.207 ( 0.000 1.445 0.000) 1.445 2.374 ( 0.000 -1.554 0.000) 1.554 2.424 ( 0.000 4.184 -0.000) 4.184 2.486 ( 0.000 0.349 -0.000) 0.349 2.666 ( 0.000 -1.729 -0.000) 1.729 2.858 ( 0.000 2.412 -0.000) 2.412 2.945 ( 0.000 4.446 0.000) 4.446 2.979 ( 0.000 -1.758 0.000) 1.758 3.172 ( 0.000 -3.929 0.000) 3.929 3.425 ( 0.000 0.165 -0.000) 0.165 4.182 ( 0.000 0.253 0.000) 0.253 4.280 ( 0.000 -4.184 -0.000) 4.184 4.378 ( 0.000 2.287 0.000) 2.287 4.538 ( 0.000 0.883 0.000) 0.883 5.440 ( 0.000 -1.177 0.000) 1.177 5.579 ( 0.000 -0.253 -0.000) 0.253 5.621 ( 0.000 0.059 0.000) 0.059 5.811 ( 0.000 -0.398 -0.000) 0.398 5.947 ( 0.000 0.455 -0.000) 0.455 6.017 ( 0.000 0.230 -0.000) 0.230 6.747 ( 0.000 1.090 0.000) 1.090 7.005 ( 0.000 0.402 -0.000) 0.402 7.096 ( -0.000 1.968 -0.000) 1.968 7.119 ( 0.000 -0.133 0.000) 0.133 7.801 ( 0.000 2.432 -0.000) 2.432 8.256 ( 0.000 -1.389 0.000) 1.389 8.556 ( 0.000 -5.840 -0.000) 5.840 8.732 ( 0.000 1.195 0.000) 1.195 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( -3.471 0.000 15.718) 16.097 0.358 ( 0.882 0.000 16.106) 16.130 0.704 ( 11.762 0.000 30.181) 32.392 1.239 ( 1.727 0.000 4.711) 5.017 1.434 ( 1.814 0.000 0.045) 1.814 1.796 ( -0.476 0.000 -3.306) 3.340 1.802 ( 0.048 0.000 1.556) 1.557 1.983 ( -4.653 0.000 -0.911) 4.741 2.145 ( 1.539 0.000 2.380) 2.834 2.241 ( 5.065 0.000 -4.415) 6.720 2.282 ( 2.715 0.000 0.475) 2.756 2.452 ( 4.118 0.000 -5.105) 6.559 2.486 ( -2.523 0.000 0.826) 2.655 2.600 ( -3.979 0.000 -8.270) 9.178 2.935 ( 4.373 0.000 4.623) 6.364 3.015 ( 2.602 0.000 -0.492) 2.649 3.511 ( -6.003 0.000 3.918) 7.169 3.636 ( -5.032 0.000 -8.300) 9.706 4.322 ( -1.240 0.000 -0.918) 1.542 4.448 ( 0.563 0.000 -6.782) 6.805 4.485 ( -15.180 0.000 1.450) 15.249 4.610 ( 1.572 0.000 -1.526) 2.191 5.546 ( 1.362 0.000 1.669) 2.154 5.597 ( 13.189 0.000 4.224) 13.849 5.799 ( 1.975 0.000 -1.278) 2.353 5.837 ( -1.268 0.000 0.017) 1.268 5.889 ( 1.273 0.000 2.099) 2.455 5.910 ( -1.220 0.000 -0.025) 1.220 6.853 ( 2.533 0.000 -0.937) 2.701 7.066 ( -0.013 0.000 1.144) 1.144 7.098 ( -1.284 0.000 1.890) 2.285 7.294 ( -51.601 0.000 -4.510) 51.797 8.003 ( -4.035 0.000 1.485) 4.299 8.296 ( 2.630 0.000 2.826) 3.861 8.504 ( 53.401 0.000 -4.028) 53.553 8.703 ( 4.118 0.000 -0.704) 4.178 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 10.897 0.000 10.151) 14.892 0.519 ( 12.447 0.000 8.904) 15.304 0.945 ( 8.323 0.000 19.691) 21.377 1.296 ( 3.254 0.000 4.659) 5.683 1.515 ( 7.272 0.000 4.935) 8.788 1.771 ( -1.714 0.000 -2.874) 3.346 1.819 ( 1.674 0.000 6.940) 7.139 2.027 ( 6.047 0.000 -3.923) 7.208 2.173 ( 1.514 0.000 3.464) 3.781 2.279 ( -1.148 0.000 3.666) 3.841 2.329 ( 2.374 0.000 -2.629) 3.542 2.387 ( -4.664 0.000 3.973) 6.127 2.514 ( 0.322 0.000 -13.270) 13.274 2.602 ( 3.884 0.000 -15.836) 16.305 3.036 ( 2.697 0.000 4.462) 5.214 3.083 ( 2.703 0.000 1.832) 3.265 3.371 ( -6.834 0.000 0.608) 6.861 3.553 ( -4.296 0.000 -9.159) 10.117 4.283 ( -2.330 0.000 -0.749) 2.448 4.299 ( -3.287 0.000 2.439) 4.093 4.439 ( -0.705 0.000 -6.333) 6.372 4.619 ( -0.867 0.000 0.079) 0.871 5.576 ( 1.308 0.000 2.668) 2.971 5.711 ( -0.264 0.000 -1.096) 1.127 5.816 ( -0.697 0.000 -0.298) 0.758 5.878 ( 1.638 0.000 2.549) 3.030 5.899 ( -0.497 0.000 2.262) 2.316 5.917 ( 3.980 0.000 -1.330) 4.196 6.565 ( -19.424 0.000 14.897) 24.479 6.899 ( 1.963 0.000 0.871) 2.148 7.061 ( -0.569 0.000 1.114) 1.251 7.083 ( -0.259 0.000 1.302) 1.328 7.888 ( -6.879 0.000 -1.233) 6.988 8.367 ( 3.578 0.000 3.684) 5.136 8.661 ( -1.508 0.000 -2.918) 3.285 9.080 ( 6.295 0.000 -10.793) 12.494 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 12.629 0.000 4.976) 13.574 0.788 ( 12.907 0.000 5.607) 14.072 1.061 ( 3.035 0.000 7.727) 8.302 1.364 ( 3.272 0.000 1.904) 3.786 1.622 ( 1.583 0.000 -0.828) 1.787 1.727 ( -2.582 0.000 -1.195) 2.845 1.948 ( 9.351 0.000 14.291) 17.078 2.123 ( 3.228 0.000 -4.994) 5.947 2.193 ( -1.898 0.000 2.030) 2.780 2.277 ( -1.427 0.000 3.743) 4.006 2.279 ( 1.346 0.000 4.248) 4.456 2.405 ( 2.235 0.000 -1.886) 2.925 2.476 ( -1.861 0.000 -8.275) 8.482 2.708 ( 8.074 0.000 -15.778) 17.723 3.028 ( -3.260 0.000 0.488) 3.296 3.028 ( -8.123 0.000 2.760) 8.579 3.341 ( 3.619 0.000 -0.555) 3.661 3.442 ( -5.222 0.000 1.247) 5.369 4.223 ( -2.990 0.000 -0.174) 2.995 4.310 ( 2.337 0.000 -5.399) 5.883 4.413 ( -1.340 0.000 -5.478) 5.639 4.574 ( -3.575 0.000 1.644) 3.935 5.598 ( 0.588 0.000 3.051) 3.107 5.667 ( -3.323 0.000 -2.776) 4.330 5.812 ( 0.351 0.000 -0.056) 0.355 5.874 ( -2.094 0.000 1.748) 2.728 5.896 ( 0.766 0.000 3.764) 3.841 5.953 ( -1.099 0.000 6.288) 6.384 6.443 ( 2.357 0.000 1.861) 3.003 6.924 ( 0.239 0.000 1.171) 1.195 7.045 ( -1.114 0.000 0.939) 1.457 7.092 ( 0.977 0.000 1.355) 1.670 7.756 ( -5.733 0.000 -2.408) 6.218 8.430 ( 2.352 0.000 3.355) 4.097 8.614 ( -2.753 0.000 -3.341) 4.329 9.076 ( -2.799 0.000 -3.994) 4.877 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 8.344 0.000 2.698) 8.769 0.974 ( 2.572 0.000 10.349) 10.664 1.132 ( 6.288 0.000 -4.613) 7.798 1.435 ( 4.021 0.000 -1.300) 4.226 1.614 ( -1.519 0.000 1.932) 2.458 1.666 ( -3.211 0.000 -0.514) 3.252 2.051 ( -4.538 0.000 -8.693) 9.806 2.108 ( -5.335 0.000 2.116) 5.739 2.109 ( -0.408 0.000 -2.179) 2.217 2.258 ( -2.990 0.000 -3.753) 4.799 2.356 ( 2.888 0.000 -0.038) 2.889 2.473 ( 4.981 0.000 5.074) 7.110 2.508 ( 7.285 0.000 13.167) 15.048 2.852 ( -2.456 0.000 -3.821) 4.542 2.896 ( 6.093 0.000 -9.286) 11.106 2.941 ( -4.003 0.000 -3.102) 5.064 3.383 ( -1.135 0.000 9.323) 9.392 3.420 ( 2.855 0.000 1.098) 3.059 4.174 ( -1.697 0.000 -0.451) 1.756 4.358 ( 3.186 0.000 -5.186) 6.087 4.379 ( -1.621 0.000 -4.082) 4.392 4.499 ( -3.548 0.000 2.130) 4.139 5.587 ( -4.372 0.000 -4.288) 6.124 5.602 ( -0.421 0.000 2.689) 2.722 5.826 ( -0.895 0.000 0.882) 1.256 5.830 ( -0.363 0.000 0.557) 0.665 5.899 ( -1.791 0.000 9.316) 9.487 5.935 ( 0.159 0.000 0.368) 0.401 6.543 ( 6.176 0.000 -1.348) 6.321 6.905 ( -2.154 0.000 -0.845) 2.313 7.022 ( -1.201 0.000 1.018) 1.574 7.119 ( 1.379 0.000 1.781) 2.253 7.681 ( -1.265 0.000 -0.852) 1.525 8.460 ( 0.406 0.000 2.451) 2.484 8.557 ( -2.385 0.000 -4.310) 4.926 9.007 ( -3.559 0.000 -3.862) 5.252 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -7.143 0.000 6.349) 9.557 1.015 ( 0.734 0.000 2.465) 2.572 1.270 ( 5.519 0.000 -5.026) 7.465 1.492 ( 0.032 0.000 -0.712) 0.712 1.584 ( -1.221 0.000 5.338) 5.476 1.636 ( 1.735 0.000 -3.445) 3.857 1.814 ( -14.447 0.000 -18.810) 23.718 2.002 ( -5.143 0.000 1.831) 5.459 2.135 ( 1.286 0.000 -0.566) 1.405 2.164 ( -4.768 0.000 -5.865) 7.558 2.347 ( -2.607 0.000 1.753) 3.142 2.568 ( 2.420 0.000 2.838) 3.730 2.673 ( 4.949 0.000 7.154) 8.699 2.788 ( 0.004 0.000 2.768) 2.768 2.914 ( 1.115 0.000 2.631) 2.858 3.086 ( 9.904 0.000 -10.110) 14.153 3.416 ( 3.967 0.000 12.593) 13.203 3.430 ( -1.916 0.000 2.210) 2.925 4.161 ( 0.406 0.000 -0.544) 0.679 4.347 ( -1.053 0.000 -2.230) 2.466 4.437 ( 5.317 0.000 -2.520) 5.884 4.461 ( -0.266 0.000 0.795) 0.839 5.489 ( -5.114 0.000 -6.083) 7.948 5.586 ( -1.365 0.000 1.333) 1.908 5.789 ( -1.289 0.000 0.444) 1.363 5.855 ( 1.252 0.000 1.266) 1.780 5.861 ( -2.293 0.000 7.023) 7.388 5.946 ( 0.564 0.000 0.175) 0.590 6.652 ( 4.568 0.000 0.826) 4.642 6.848 ( -3.018 0.000 -3.445) 4.580 7.008 ( -0.054 0.000 1.275) 1.276 7.143 ( 0.850 0.000 1.824) 2.013 7.706 ( 3.440 0.000 2.430) 4.211 8.450 ( -1.543 0.000 1.408) 2.088 8.521 ( -0.815 0.000 -5.775) 5.832 8.929 ( -4.066 0.000 -5.824) 7.103 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -12.123 0.000 3.001) 12.489 0.954 ( -6.846 0.000 4.227) 8.046 1.250 ( -8.964 0.000 -2.439) 9.290 1.425 ( -5.790 0.000 -0.389) 5.803 1.520 ( -10.402 0.000 -14.185) 17.590 1.620 ( 3.682 0.000 3.541) 5.108 1.699 ( 3.347 0.000 -2.871) 4.410 1.957 ( 1.421 0.000 -2.208) 2.626 2.094 ( -1.598 0.000 -3.995) 4.303 2.152 ( 0.470 0.000 -1.736) 1.798 2.282 ( -3.639 0.000 2.476) 4.401 2.558 ( -2.172 0.000 -3.399) 4.034 2.726 ( 1.184 0.000 -2.632) 2.886 2.839 ( 2.947 0.000 4.069) 5.024 2.912 ( -2.511 0.000 5.514) 6.059 3.190 ( -1.706 0.000 -0.677) 1.836 3.413 ( 3.217 0.000 0.497) 3.255 3.566 ( 8.896 0.000 13.313) 16.012 4.187 ( 2.230 0.000 -0.001) 2.230 4.343 ( 0.966 0.000 -2.664) 2.834 4.483 ( 2.146 0.000 -0.301) 2.167 4.566 ( 7.755 0.000 -0.275) 7.760 5.376 ( -5.650 0.000 -6.728) 8.786 5.554 ( -1.692 0.000 -0.384) 1.735 5.782 ( 0.535 0.000 0.779) 0.945 5.826 ( -1.800 0.000 4.586) 4.927 5.875 ( 0.575 0.000 1.603) 1.703 5.953 ( 0.074 0.000 0.641) 0.645 6.732 ( 3.918 0.000 6.756) 7.810 6.796 ( -1.603 0.000 -4.709) 4.974 7.023 ( 1.323 0.000 1.325) 1.872 7.154 ( 0.036 0.000 2.032) 2.032 7.804 ( 5.689 0.000 4.655) 7.351 8.406 ( -2.907 0.000 0.662) 2.981 8.510 ( 0.037 0.000 -8.889) 8.889 8.834 ( -4.883 0.000 -7.968) 9.345 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -13.041 0.000 3.497) 13.502 0.768 ( -12.059 0.000 7.439) 14.169 0.961 ( -17.383 0.000 2.978) 17.636 1.304 ( -5.480 0.000 0.592) 5.511 1.387 ( -2.964 0.000 -6.696) 7.323 1.721 ( 5.140 0.000 2.392) 5.670 1.755 ( 2.667 0.000 -2.246) 3.487 2.022 ( 4.216 0.000 -4.651) 6.277 2.096 ( 1.958 0.000 -2.192) 2.940 2.141 ( -1.488 0.000 -2.614) 3.008 2.229 ( -1.508 0.000 1.139) 1.890 2.513 ( -1.510 0.000 -5.492) 5.696 2.689 ( -5.504 0.000 -5.789) 7.988 2.858 ( -2.313 0.000 3.493) 4.190 2.875 ( -0.323 0.000 4.756) 4.767 3.076 ( -6.505 0.000 0.305) 6.512 3.520 ( 4.947 0.000 4.006) 6.365 3.723 ( 4.692 0.000 7.273) 8.655 4.248 ( 3.785 0.000 0.800) 3.869 4.377 ( 2.577 0.000 -4.827) 5.472 4.530 ( 2.428 0.000 -1.366) 2.786 4.724 ( 7.339 0.000 -2.465) 7.742 5.267 ( -3.988 0.000 -1.445) 4.241 5.527 ( -0.814 0.000 -0.796) 1.139 5.800 ( -1.081 0.000 2.624) 2.838 5.808 ( 1.834 0.000 1.061) 2.119 5.878 ( -0.425 0.000 1.486) 1.545 5.950 ( -0.502 0.000 0.917) 1.045 6.782 ( 0.591 0.000 -4.350) 4.390 6.869 ( 10.631 0.000 17.409) 20.398 7.055 ( 1.736 0.000 2.526) 3.065 7.147 ( -0.873 0.000 2.331) 2.489 7.923 ( 5.589 0.000 5.274) 7.685 8.343 ( -3.366 0.000 0.445) 3.395 8.467 ( -5.218 0.000 -18.960) 19.665 8.732 ( -4.022 0.000 -5.744) 7.012 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 0.905 0.000 17.584) 17.607 0.520 ( -12.939 0.000 11.605) 17.381 0.654 ( -11.877 0.000 17.473) 21.127 1.233 ( -1.689 0.000 2.750) 3.227 1.377 ( 2.311 0.000 -3.504) 4.197 1.793 ( 1.176 0.000 -2.871) 3.102 1.799 ( 1.893 0.000 2.131) 2.850 2.094 ( 3.383 0.000 -1.567) 3.729 2.105 ( -2.541 0.000 -2.967) 3.906 2.156 ( 3.941 0.000 -3.213) 5.085 2.214 ( 0.388 0.000 -2.075) 2.111 2.496 ( 0.217 0.000 -5.987) 5.991 2.527 ( -8.884 0.000 -2.976) 9.369 2.744 ( -8.305 0.000 2.687) 8.729 2.891 ( 1.017 0.000 2.714) 2.898 3.001 ( -1.141 0.000 -1.817) 2.146 3.573 ( -0.401 0.000 5.881) 5.895 3.740 ( -3.031 0.000 -2.250) 3.775 4.315 ( 2.210 0.000 -0.051) 2.210 4.424 ( 2.339 0.000 -6.442) 6.853 4.573 ( 2.139 0.000 -2.164) 3.042 4.749 ( -6.821 0.000 -12.816) 14.518 5.313 ( 10.208 0.000 12.736) 16.322 5.525 ( 0.569 0.000 0.258) 0.625 5.788 ( -0.212 0.000 0.832) 0.859 5.849 ( 1.827 0.000 0.972) 2.070 5.864 ( -0.839 0.000 1.342) 1.582 5.935 ( -1.087 0.000 0.621) 1.252 6.807 ( 2.121 0.000 -2.898) 3.591 7.055 ( 1.342 0.000 1.246) 1.831 7.125 ( -1.485 0.000 2.334) 2.766 7.360 ( 38.984 0.000 34.537) 52.082 8.016 ( 2.586 0.000 4.511) 5.200 8.157 ( -26.903 0.000 -31.249) 41.235 8.286 ( -1.857 0.000 0.903) 2.065 8.692 ( -0.208 0.000 -1.495) 1.509 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 9.050 11.714 7.818) 16.740 0.546 ( -1.961 11.061 14.287) 18.174 0.813 ( 4.214 10.716 21.861) 24.708 1.200 ( 0.739 -2.966 3.294) 4.494 1.482 ( 4.629 5.308 3.415) 7.827 1.753 ( -2.490 -3.884 -1.572) 4.874 1.856 ( 1.969 5.258 0.179) 5.618 1.948 ( -2.779 -2.672 1.376) 4.093 2.096 ( 3.100 -6.237 -1.792) 7.192 2.202 ( 1.953 0.014 -4.355) 4.773 2.318 ( 4.895 -0.009 -2.801) 5.640 2.454 ( -3.321 4.148 3.922) 6.605 2.623 ( -1.909 8.628 2.778) 9.263 2.711 ( -0.611 9.117 -13.819) 16.566 2.885 ( -0.248 -0.189 1.578) 1.608 3.146 ( 3.576 7.466 -1.413) 8.398 3.437 ( -6.166 -5.911 0.201) 8.544 3.664 ( -4.828 0.289 -7.313) 8.768 4.240 ( -0.864 -6.591 -0.316) 6.655 4.344 ( -6.534 -5.026 2.246) 8.544 4.536 ( 0.094 -3.164 -3.436) 4.672 4.697 ( -1.573 8.281 -8.993) 12.326 5.497 ( 10.102 -6.742 9.769) 15.587 5.543 ( 1.505 -0.414 2.076) 2.597 5.773 ( 0.013 -1.501 1.230) 1.941 5.841 ( -0.971 -0.187 0.656) 1.187 5.898 ( 0.520 0.522 -0.993) 1.237 5.961 ( 2.941 3.536 -0.813) 4.670 6.616 ( -7.016 -13.584 11.155) 18.926 7.060 ( -0.212 -0.143 -1.038) 1.069 7.077 ( -0.522 0.613 1.295) 1.525 7.432 ( -25.145 6.012 -8.518) 27.221 7.982 ( -4.064 -2.159 1.104) 4.733 8.025 ( 21.433 -10.829 9.492) 25.821 8.700 ( -0.121 2.767 -2.889) 4.002 8.791 ( 16.616 8.352 -8.168) 20.311 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 1.552 9.084 13.377) 16.244 0.662 ( 13.149 10.804 4.433) 17.587 0.971 ( 6.622 2.870 15.594) 17.183 1.257 ( 4.410 -2.761 3.742) 6.409 1.598 ( 6.051 7.002 5.313) 10.671 1.737 ( 0.163 -3.141 -2.778) 4.196 1.854 ( -0.746 2.682 6.187) 6.784 1.951 ( 2.966 -4.926 -0.355) 5.761 2.153 ( 2.276 -4.844 -1.381) 5.527 2.252 ( 2.111 -0.302 -1.411) 2.557 2.358 ( -0.549 -2.317 0.118) 2.384 2.405 ( -1.501 7.812 2.652) 8.386 2.601 ( -0.117 8.162 -5.464) 9.823 2.715 ( 1.599 8.226 -15.833) 17.914 2.920 ( 3.264 -5.155 4.419) 7.533 3.174 ( -1.574 3.927 0.828) 4.311 3.295 ( -7.220 -5.093 -0.792) 8.871 3.574 ( -4.067 -0.512 -7.582) 8.619 4.223 ( 0.156 -4.561 -1.693) 4.868 4.263 ( -1.907 -2.321 1.533) 3.372 4.510 ( -2.360 -0.303 -5.064) 5.595 4.647 ( -2.761 5.632 -2.919) 6.919 5.564 ( 0.986 -1.857 2.004) 2.905 5.646 ( 3.322 -5.597 4.913) 8.154 5.765 ( -1.124 -2.840 4.734) 5.634 5.825 ( -0.612 0.450 0.158) 0.776 5.917 ( 1.321 0.924 -0.592) 1.718 6.031 ( 3.386 5.032 -1.121) 6.168 6.457 ( -7.083 -6.307 10.431) 14.098 7.018 ( -3.520 5.006 -3.369) 6.986 7.069 ( -0.418 0.711 0.764) 1.124 7.133 ( -4.868 6.319 1.487) 8.114 7.873 ( -6.276 -1.457 -1.479) 6.610 8.290 ( 7.481 -7.018 4.652) 11.263 8.678 ( -1.721 1.709 -2.746) 3.663 9.010 ( 3.969 -5.396 -5.971) 8.974 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 9.113 -0.010 8.574) 12.513 0.907 ( 10.066 6.902 6.909) 14.025 1.074 ( 3.578 1.622 3.485) 5.251 1.354 ( 4.714 -0.934 1.882) 5.161 1.635 ( -3.034 1.159 -0.104) 3.249 1.741 ( 0.346 1.020 -0.550) 1.210 1.925 ( 6.188 -1.943 8.655) 10.815 2.035 ( 4.989 -7.405 -1.687) 9.087 2.139 ( -3.911 -4.828 -0.653) 6.248 2.314 ( 4.339 4.068 5.917) 8.389 2.343 ( 0.326 4.084 4.310) 5.947 2.397 ( 0.156 1.598 -5.195) 5.438 2.563 ( -3.003 6.887 -4.046) 8.533 2.775 ( 5.466 5.246 -16.528) 18.182 2.951 ( -1.627 -4.666 0.596) 4.977 3.077 ( -7.215 2.098 2.796) 8.018 3.226 ( 1.125 -6.299 -0.138) 6.400 3.485 ( -4.012 -0.159 -0.357) 4.031 4.216 ( -1.403 -0.136 0.717) 1.581 4.277 ( 3.071 -2.992 -5.461) 6.943 4.449 ( -3.005 0.581 -4.026) 5.057 4.579 ( -3.986 2.122 0.327) 4.527 5.578 ( 0.186 -2.553 2.210) 3.382 5.652 ( -2.242 -1.147 -2.014) 3.225 5.758 ( -0.092 -4.417 9.036) 10.058 5.819 ( -0.015 0.300 0.128) 0.327 5.937 ( 0.723 1.334 0.206) 1.531 6.046 ( -2.103 5.357 4.616) 7.377 6.439 ( 4.123 -0.112 0.032) 4.125 6.964 ( -2.029 3.256 -1.850) 4.260 7.053 ( -1.210 0.719 0.749) 1.594 7.107 ( 0.457 1.739 2.161) 2.811 7.756 ( -4.913 0.021 -2.291) 5.421 8.389 ( 2.694 -4.015 3.438) 5.932 8.634 ( -2.200 1.687 -3.261) 4.280 9.002 ( -2.672 -6.747 -2.804) 7.780 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 9.377 -3.888 4.037) 10.924 1.012 ( -0.571 1.623 9.755) 9.906 1.159 ( 4.815 1.824 -4.152) 6.614 1.441 ( 3.573 -0.578 0.468) 3.650 1.566 ( -1.860 -0.739 0.418) 2.044 1.729 ( -1.787 2.871 0.653) 3.444 1.967 ( -4.719 -5.954 -3.303) 8.284 2.094 ( 1.501 -1.430 -2.208) 3.029 2.115 ( 2.247 -3.129 -1.027) 3.987 2.228 ( -8.631 0.759 -6.092) 10.592 2.389 ( 0.085 0.622 -4.298) 4.344 2.521 ( 8.607 4.201 10.168) 13.968 2.532 ( 2.140 4.025 7.215) 8.534 2.799 ( -3.306 -4.179 -6.308) 8.258 2.950 ( -3.171 3.116 -1.205) 4.606 2.979 ( 6.131 3.678 -6.416) 9.606 3.287 ( 3.367 -5.544 7.304) 9.768 3.426 ( -2.154 -2.428 1.474) 3.564 4.191 ( -0.716 1.445 -0.562) 1.708 4.339 ( 3.086 -1.443 -3.762) 5.075 4.392 ( -2.231 -0.371 -1.969) 2.998 4.502 ( -3.347 1.372 0.741) 3.692 5.563 ( -2.787 -2.498 -1.976) 4.232 5.596 ( -1.835 -0.536 0.403) 1.953 5.761 ( -0.501 -2.942 6.834) 7.457 5.827 ( 0.783 -0.177 0.453) 0.922 5.946 ( -0.009 0.990 0.860) 1.311 5.991 ( -3.062 5.369 4.180) 7.461 6.555 ( 6.544 1.221 -2.047) 6.965 6.915 ( -2.730 1.056 -3.124) 4.282 7.030 ( -1.141 0.736 1.365) 1.925 7.131 ( 1.419 1.262 2.227) 2.926 7.694 ( -0.983 1.296 -0.798) 1.812 8.410 ( -0.639 -4.002 1.519) 4.328 8.598 ( -1.030 2.799 -3.333) 4.472 8.935 ( -3.527 -7.049 -3.160) 8.491 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -5.982 1.137 6.248) 8.724 0.991 ( 1.310 -2.017 1.759) 2.980 1.201 ( 0.340 -6.567 -2.097) 6.902 1.482 ( 1.301 -1.037 0.329) 1.696 1.596 ( 1.819 2.372 3.490) 4.595 1.686 ( -0.509 2.960 -3.884) 4.910 1.818 ( -9.436 -0.591 -11.497) 14.886 1.977 ( -9.313 -0.231 -3.759) 10.045 2.113 ( -2.473 -3.206 -6.289) 7.480 2.168 ( 2.073 1.274 -0.431) 2.471 2.370 ( -1.946 0.988 -0.359) 2.211 2.578 ( 0.731 1.452 0.243) 1.643 2.670 ( 5.082 -0.478 8.372) 9.805 2.741 ( -0.984 -4.334 -1.454) 4.676 2.941 ( 2.082 3.672 4.312) 6.035 3.150 ( 9.569 4.450 -5.978) 12.128 3.365 ( 4.374 -3.591 11.284) 12.624 3.386 ( -2.217 -4.438 1.728) 5.253 4.192 ( 0.702 2.750 -1.304) 3.124 4.336 ( -1.136 -2.182 0.068) 2.461 4.418 ( 3.293 -0.768 -1.268) 3.611 4.470 ( 0.522 1.030 -0.240) 1.179 5.477 ( -4.814 -0.960 -5.288) 7.215 5.576 ( -1.000 -1.271 1.843) 2.452 5.752 ( -0.659 -1.626 4.024) 4.390 5.847 ( 1.084 -0.679 1.218) 1.767 5.916 ( -2.779 2.990 3.112) 5.133 5.964 ( -0.174 1.892 0.209) 1.912 6.668 ( 4.736 1.603 0.331) 5.011 6.859 ( -2.318 1.154 -4.813) 5.465 7.013 ( -0.520 0.456 1.302) 1.475 7.161 ( 1.415 1.833 2.447) 3.368 7.716 ( 2.979 1.070 2.083) 3.789 8.381 ( -2.004 -4.807 -0.741) 5.260 8.582 ( -0.446 3.970 -3.675) 5.428 8.861 ( -3.530 -6.705 -4.852) 8.998 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -10.236 3.514 4.089) 11.569 0.891 ( -10.976 -5.406 4.579) 13.064 1.214 ( -0.479 -3.732 -3.321) 5.019 1.435 ( -6.203 0.849 -0.173) 6.263 1.563 ( -10.049 3.784 -12.577) 16.537 1.630 ( 1.675 1.973 3.488) 4.343 1.747 ( 3.107 3.368 -2.840) 5.392 1.897 ( 1.432 -4.589 -2.547) 5.440 2.073 ( -0.444 -1.298 -5.126) 5.306 2.175 ( -1.879 0.268 -0.507) 1.964 2.311 ( -3.383 2.663 1.810) 4.670 2.566 ( -0.378 1.086 -4.514) 4.658 2.708 ( -0.824 -2.298 -4.228) 4.882 2.798 ( 4.404 -2.369 6.745) 8.397 2.962 ( -0.861 4.456 4.454) 6.359 3.268 ( -2.224 6.999 1.432) 7.482 3.353 ( 4.089 -5.684 -1.590) 7.180 3.524 ( 9.179 -4.104 12.594) 16.116 4.206 ( 0.707 2.032 -0.197) 2.161 4.346 ( 2.174 -1.145 -0.790) 2.581 4.480 ( 3.408 -0.029 -1.961) 3.932 4.522 ( 4.055 -3.307 0.989) 5.325 5.373 ( -5.033 -0.024 -5.184) 7.225 5.553 ( -1.400 -0.384 0.267) 1.476 5.750 ( 0.263 -1.528 2.932) 3.317 5.862 ( -0.680 0.264 2.712) 2.808 5.873 ( -0.707 1.463 0.263) 1.646 5.960 ( -0.320 0.536 0.336) 0.708 6.738 ( 1.743 0.938 4.330) 4.761 6.832 ( 0.901 3.088 -4.372) 5.428 7.016 ( 0.705 -0.536 0.732) 1.149 7.191 ( 1.413 3.448 3.246) 4.942 7.803 ( 5.271 -0.005 4.367) 6.845 8.328 ( -3.541 -5.989 -2.836) 7.514 8.572 ( -0.089 4.288 -5.678) 7.116 8.788 ( -3.347 -4.529 -6.306) 8.455 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -9.417 8.906 5.077) 13.920 0.625 ( -14.827 -7.613 8.735) 18.817 1.102 ( -9.899 8.181 -0.555) 12.854 1.308 ( -5.700 -0.445 0.553) 5.744 1.429 ( -2.578 4.215 -6.645) 8.280 1.688 ( 3.785 1.331 1.643) 4.336 1.801 ( 2.252 0.199 0.504) 2.316 1.966 ( 4.271 -4.720 -5.599) 8.477 2.091 ( -2.391 -4.832 0.950) 5.474 2.107 ( 1.179 2.046 -3.563) 4.275 2.264 ( -1.775 2.970 0.815) 3.555 2.570 ( 1.155 5.067 -6.079) 7.998 2.653 ( -4.335 -2.922 -4.825) 7.114 2.864 ( 1.899 0.918 2.758) 3.473 2.930 ( -3.075 4.721 4.965) 7.510 3.156 ( -6.013 7.442 1.217) 9.645 3.466 ( 4.739 -5.155 1.688) 7.202 3.693 ( 5.961 -3.473 6.552) 9.515 4.222 ( 0.919 -1.013 0.784) 1.577 4.404 ( 3.296 0.099 -2.792) 4.321 4.534 ( 1.634 0.093 -0.806) 1.825 4.623 ( 5.834 -7.807 -2.543) 10.072 5.281 ( -3.285 1.491 -0.496) 3.642 5.528 ( -0.919 -0.026 -0.575) 1.085 5.764 ( 0.615 -1.652 2.919) 3.410 5.845 ( -0.087 1.321 0.867) 1.582 5.875 ( -0.052 -0.060 0.305) 0.316 5.950 ( -0.711 -0.079 0.453) 0.846 6.735 ( -1.641 -2.289 3.684) 4.638 6.922 ( 7.660 2.983 3.397) 8.895 7.036 ( 1.136 -0.741 0.376) 1.407 7.237 ( 3.968 7.090 6.178) 10.207 7.916 ( 5.236 -0.703 5.133) 7.366 8.218 ( -7.812 -8.691 -6.500) 13.372 8.564 ( -0.142 5.885 -10.004) 11.607 8.726 ( -2.045 -0.542 -4.848) 5.290 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -7.007 2.368 11.795) 13.922 0.493 ( 1.097 9.430 16.954) 19.431 0.892 ( -10.374 13.999 8.476) 19.376 1.220 ( -3.015 -1.340 1.963) 3.840 1.418 ( 1.569 4.694 -1.638) 5.213 1.773 ( 3.763 2.156 -1.512) 4.593 1.819 ( -0.406 -2.740 1.157) 3.001 2.011 ( -3.519 -4.048 0.547) 5.392 2.036 ( 3.385 -5.329 -3.501) 7.219 2.199 ( 4.566 1.323 -2.034) 5.171 2.226 ( -1.040 1.866 -2.917) 3.616 2.536 ( -5.114 0.523 -0.257) 5.148 2.610 ( 2.018 8.678 -6.934) 11.290 2.817 ( -7.326 7.081 1.675) 10.326 2.892 ( 0.024 1.153 1.456) 1.857 3.097 ( 0.351 7.973 -1.441) 8.110 3.510 ( -0.862 -6.003 2.554) 6.581 3.743 ( -1.296 -1.087 -1.838) 2.498 4.241 ( 0.716 -4.640 0.202) 4.699 4.440 ( -0.833 -2.634 -3.057) 4.120 4.537 ( -0.702 -4.676 -0.352) 4.742 4.706 ( 2.198 -0.760 -10.787) 11.035 5.298 ( 5.944 -0.164 10.515) 12.080 5.523 ( 0.461 -0.285 0.297) 0.618 5.772 ( -0.001 -1.300 1.864) 2.273 5.856 ( -0.114 -0.734 1.481) 1.657 5.878 ( 1.216 1.829 -1.004) 2.415 5.937 ( -0.367 0.308 0.126) 0.495 6.696 ( -2.765 -7.996 6.255) 10.521 7.050 ( 1.873 -2.099 0.771) 2.917 7.063 ( 2.151 0.413 1.905) 2.903 7.479 ( 22.446 6.225 15.610) 28.040 7.934 ( -15.108 -7.491 -10.803) 20.027 8.019 ( -2.332 -2.910 1.878) 4.175 8.576 ( 4.223 13.611 -10.932) 17.961 8.705 ( -0.059 1.530 -2.065) 2.571 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 7.871 13.669 2.833) 16.026 0.744 ( 0.712 10.426 10.462) 14.787 0.997 ( -0.110 5.653 7.120) 9.092 1.175 ( -0.170 0.412 3.197) 3.228 1.575 ( 4.242 3.095 5.551) 7.641 1.696 ( -0.279 -1.501 1.516) 2.152 1.881 ( 1.689 -1.506 0.291) 2.282 1.933 ( -0.923 -2.517 -0.763) 2.787 2.032 ( -1.147 3.294 1.119) 3.663 2.256 ( 2.284 4.984 -3.343) 6.422 2.288 ( 1.462 -2.339 -0.350) 2.781 2.495 ( 0.296 -0.011 3.474) 3.487 2.825 ( -0.592 11.135 0.559) 11.165 2.861 ( -2.265 7.164 -2.981) 8.083 2.941 ( -1.080 4.898 -6.188) 7.966 3.229 ( -1.511 -1.517 -6.295) 6.649 3.361 ( -2.393 1.378 2.657) 3.832 3.611 ( -5.174 -5.407 -7.420) 10.538 4.109 ( -1.643 -7.381 -0.106) 7.562 4.256 ( -2.268 -3.613 2.996) 5.213 4.434 ( -0.039 -6.814 -1.715) 7.027 4.815 ( 0.933 4.042 -11.247) 11.988 5.420 ( 5.529 -1.218 9.133) 10.746 5.526 ( 1.686 -1.440 3.197) 3.890 5.750 ( -0.012 -0.928 1.715) 1.950 5.832 ( -0.135 -0.740 0.908) 1.179 5.909 ( 0.817 0.590 -0.932) 1.372 6.013 ( 4.042 2.030 0.192) 4.527 6.452 ( -6.345 -4.902 7.375) 10.894 7.065 ( 0.728 0.474 -2.344) 2.500 7.093 ( -0.021 0.898 1.456) 1.711 7.497 ( -14.507 1.705 -7.521) 16.429 7.895 ( 14.421 -4.040 7.090) 16.570 7.935 ( -3.373 -2.656 0.303) 4.304 8.747 ( 0.148 2.648 -1.592) 3.094 8.866 ( 5.637 0.777 -5.213) 7.717 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -1.320 11.614 10.385) 15.636 0.858 ( 8.520 9.627 6.475) 14.395 1.043 ( 3.451 3.820 4.286) 6.699 1.218 ( 4.280 -1.360 2.919) 5.356 1.657 ( 2.586 -2.046 -0.736) 3.379 1.748 ( 4.873 4.335 7.333) 9.813 1.843 ( -5.044 -1.703 4.057) 6.693 1.919 ( -0.531 -1.094 -2.658) 2.923 2.040 ( 2.502 -3.444 -0.499) 4.286 2.292 ( -0.367 -3.814 1.282) 4.041 2.324 ( 4.172 5.557 -0.551) 6.970 2.532 ( 2.189 3.343 2.118) 4.522 2.766 ( -4.202 8.358 2.251) 9.622 2.831 ( -0.938 4.734 -3.639) 6.044 2.914 ( -0.979 4.260 -11.633) 12.427 3.175 ( -3.292 -3.197 -8.393) 9.566 3.283 ( -5.333 3.901 3.953) 7.699 3.504 ( -4.742 -6.606 -5.652) 9.903 4.133 ( 3.831 -4.719 -2.883) 6.728 4.223 ( -1.270 -1.662 3.018) 3.672 4.424 ( -0.992 -6.772 -2.004) 7.131 4.764 ( -4.475 4.880 -7.284) 9.843 5.496 ( 1.551 -3.463 2.865) 4.754 5.593 ( 3.832 -1.052 8.878) 9.727 5.738 ( -1.536 -0.481 2.904) 3.321 5.831 ( -0.156 -0.010 0.505) 0.529 5.938 ( 1.765 1.157 0.071) 2.111 6.090 ( 3.045 1.560 1.480) 3.728 6.380 ( -0.555 -2.123 3.189) 3.871 7.061 ( -1.073 1.042 -3.579) 3.879 7.085 ( -0.685 0.944 1.424) 1.841 7.251 ( -8.905 4.547 -2.849) 10.396 7.841 ( -4.911 -1.780 -1.920) 5.565 8.152 ( 9.784 -6.656 5.256) 12.948 8.722 ( -2.256 2.865 -2.412) 4.372 8.920 ( -0.136 -4.103 -2.473) 4.792 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 1.847 8.963 10.028) 13.576 1.000 ( 4.297 3.420 12.110) 13.297 1.122 ( 4.195 2.789 -4.368) 6.667 1.326 ( 5.410 -2.320 2.745) 6.495 1.659 ( -3.701 1.596 -1.790) 4.410 1.744 ( -1.028 -1.316 2.588) 3.080 1.864 ( 3.726 -4.378 3.799) 6.890 1.922 ( 1.354 -4.156 -3.287) 5.468 2.073 ( 0.401 -0.523 0.700) 0.962 2.316 ( 2.376 -3.519 -0.822) 4.325 2.419 ( 4.677 6.058 7.382) 10.633 2.526 ( -3.146 7.561 -5.473) 9.850 2.672 ( -3.816 2.818 3.088) 5.661 2.856 ( -3.316 4.268 -14.285) 15.273 2.871 ( 4.152 -2.634 -0.083) 4.918 3.074 ( -6.079 -2.859 -4.112) 7.876 3.222 ( -0.249 5.565 1.929) 5.895 3.412 ( -3.988 -6.666 -2.489) 8.157 4.194 ( 0.035 -3.216 -0.180) 3.221 4.241 ( 4.695 0.494 -0.855) 4.797 4.392 ( -2.016 -5.201 -1.573) 5.796 4.655 ( -5.568 4.233 -2.665) 7.485 5.513 ( 0.163 -3.333 1.839) 3.810 5.644 ( -0.578 0.234 0.852) 1.056 5.711 ( -0.422 -1.244 9.334) 9.426 5.826 ( -0.251 0.318 0.376) 0.553 5.961 ( 0.490 1.099 1.455) 1.888 6.108 ( -1.431 1.465 4.419) 4.871 6.449 ( 6.550 1.120 -3.591) 7.554 7.012 ( -3.343 1.540 -6.219) 7.227 7.067 ( -1.252 0.732 1.295) 1.944 7.154 ( -1.319 2.799 2.149) 3.767 7.758 ( -2.922 0.201 -2.047) 3.573 8.293 ( 4.324 -5.700 3.828) 8.115 8.665 ( -2.816 1.438 -3.533) 4.741 8.875 ( -3.638 -5.644 -1.094) 6.803 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 5.509 2.036 5.777) 8.238 1.040 ( -1.035 1.585 8.750) 8.953 1.163 ( -1.481 -2.012 -0.779) 2.617 1.403 ( 2.513 -2.235 1.516) 3.689 1.602 ( 0.208 3.106 1.090) 3.298 1.748 ( -0.403 -0.497 -0.467) 0.792 1.860 ( -3.416 -5.104 -1.339) 6.286 1.987 ( 4.593 -7.170 -3.326) 9.141 2.106 ( 3.193 1.884 -1.004) 3.841 2.287 ( -8.526 3.217 -8.300) 12.326 2.380 ( -2.273 -0.120 -6.053) 6.467 2.558 ( 2.619 -0.209 7.952) 8.375 2.655 ( 0.964 5.363 1.972) 5.795 2.753 ( -4.259 1.628 -7.474) 8.755 2.974 ( 1.055 -3.327 -3.983) 5.296 3.006 ( 5.169 1.476 6.792) 8.662 3.247 ( 1.342 -1.258 4.376) 4.747 3.357 ( -0.757 -1.523 -2.925) 3.384 4.190 ( 0.154 -2.162 -0.780) 2.304 4.337 ( 3.862 1.711 0.517) 4.256 4.346 ( -1.875 -3.596 -0.557) 4.094 4.556 ( -4.036 3.350 -0.466) 5.266 5.509 ( -0.822 -2.693 1.312) 3.106 5.586 ( -3.632 -0.414 -2.210) 4.271 5.733 ( 0.701 -0.493 9.186) 9.226 5.825 ( 0.134 -0.034 0.585) 0.601 5.963 ( -0.388 0.662 1.542) 1.722 6.062 ( -3.093 2.201 2.877) 4.763 6.586 ( 6.977 1.847 -3.573) 8.054 6.937 ( -3.158 1.037 -7.351) 8.068 7.044 ( -1.212 0.707 2.036) 2.472 7.164 ( 1.415 2.089 2.940) 3.875 7.728 ( -0.004 2.275 -0.861) 2.432 8.334 ( -0.318 -3.795 1.969) 4.287 8.625 ( -0.570 -1.110 -4.284) 4.462 8.793 ( -4.174 -5.752 -1.096) 7.191 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 3.055 -1.440 2.978) 4.503 0.981 ( -6.076 1.478 5.264) 8.173 1.064 ( -4.752 -6.492 1.543) 8.192 1.471 ( 3.630 -0.076 -0.924) 3.747 1.633 ( 0.414 0.985 6.188) 6.280 1.704 ( -2.472 -1.820 -2.844) 4.185 1.801 ( -1.880 0.541 -4.740) 5.128 2.033 ( -9.341 3.599 -9.233) 13.618 2.048 ( -1.327 -2.940 -7.263) 7.948 2.180 ( 1.788 1.402 -3.272) 3.984 2.355 ( -0.678 -2.674 -1.549) 3.164 2.574 ( -0.637 -5.366 -2.302) 5.874 2.659 ( 0.142 2.532 -0.437) 2.574 2.722 ( 1.293 3.113 1.966) 3.902 3.003 ( 2.313 0.041 2.327) 3.282 3.181 ( 8.344 1.157 4.948) 9.770 3.259 ( 1.505 -6.939 4.898) 8.626 3.389 ( 3.060 4.055 2.388) 5.613 4.209 ( 1.988 -2.473 -1.835) 3.665 4.295 ( -2.404 -0.533 0.685) 2.556 4.412 ( 2.791 0.318 2.317) 3.641 4.506 ( -0.799 2.427 -0.340) 2.578 5.463 ( -3.742 -0.265 -3.133) 4.888 5.539 ( -0.830 -2.344 1.757) 3.045 5.743 ( -0.250 0.348 5.855) 5.870 5.833 ( 0.576 -0.778 1.181) 1.527 5.947 ( -1.512 0.748 1.480) 2.244 6.002 ( -2.760 1.500 -0.049) 3.142 6.705 ( 5.082 2.029 -0.667) 5.513 6.886 ( -1.165 1.483 -7.669) 7.897 7.022 ( -1.171 0.387 1.461) 1.912 7.205 ( 2.333 2.483 3.547) 4.918 7.749 ( 1.947 2.414 1.063) 3.278 8.297 ( -3.083 -3.837 -1.062) 5.035 8.630 ( 1.047 -1.105 -4.584) 4.831 8.719 ( -2.890 -5.254 -1.422) 6.163 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -11.500 -1.644 6.365) 13.247 0.874 ( -6.134 5.552 3.837) 9.120 1.117 ( 5.460 -6.308 -3.063) 8.888 1.450 ( -6.639 0.425 -1.738) 6.876 1.610 ( -5.384 0.529 -4.310) 6.917 1.669 ( 2.172 0.272 2.353) 3.214 1.807 ( 2.785 2.565 -3.779) 5.349 1.860 ( -4.081 3.278 -4.279) 6.760 2.036 ( -0.781 -3.454 -4.306) 5.575 2.179 ( -1.403 2.012 -2.561) 3.546 2.338 ( -1.409 -0.960 1.964) 2.601 2.588 ( 2.921 -2.622 -7.695) 8.638 2.646 ( -1.102 0.120 -2.327) 2.578 2.796 ( 4.567 1.827 5.386) 7.294 3.034 ( 0.128 0.856 3.650) 3.751 3.234 ( 1.602 -4.674 -3.997) 6.356 3.395 ( 3.977 2.411 6.590) 8.065 3.462 ( 5.980 1.259 8.948) 10.836 4.249 ( -0.104 1.634 -1.551) 2.255 4.270 ( 1.922 -5.324 1.178) 5.782 4.455 ( 1.196 -2.113 2.572) 3.537 4.520 ( 2.313 2.172 -1.490) 3.505 5.382 ( -3.795 0.993 -3.069) 4.981 5.534 ( -0.327 -1.636 1.738) 2.409 5.740 ( -0.285 0.348 3.573) 3.601 5.844 ( 0.220 -1.317 1.574) 2.064 5.907 ( -2.064 1.391 -0.317) 2.509 5.964 ( -1.290 -0.309 -0.615) 1.462 6.768 ( 0.431 2.037 2.343) 3.135 6.887 ( 2.262 2.364 -6.379) 7.169 7.009 ( 0.206 -0.127 0.406) 0.473 7.262 ( 3.270 3.596 4.630) 6.713 7.808 ( 3.878 0.562 3.419) 5.201 8.212 ( -5.494 -5.938 -4.346) 9.183 8.642 ( 0.377 2.471 -5.218) 5.786 8.691 ( 0.323 -4.604 -2.148) 5.091 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -7.199 5.638 6.930) 11.473 0.763 ( -4.786 11.139 6.451) 13.733 1.175 ( -1.145 -1.669 -4.867) 5.271 1.275 ( -7.811 -2.116 -0.864) 8.138 1.523 ( -1.558 4.868 -5.542) 7.539 1.730 ( 1.498 -3.298 5.422) 6.520 1.799 ( -0.459 4.558 0.736) 4.640 1.887 ( 3.320 -2.343 -4.409) 5.996 2.019 ( -0.481 -1.422 0.440) 1.564 2.173 ( 1.850 4.053 -3.033) 5.390 2.304 ( -1.982 1.435 1.910) 3.105 2.586 ( -3.206 -3.609 -1.612) 5.089 2.681 ( 5.185 5.448 -9.621) 12.212 2.880 ( 3.249 0.595 3.488) 4.803 3.016 ( -2.072 2.985 4.732) 5.966 3.271 ( 1.418 0.236 -1.358) 1.978 3.395 ( -1.541 1.791 0.365) 2.391 3.609 ( 5.865 -3.766 6.321) 9.409 4.228 ( -1.575 1.144 1.854) 2.688 4.319 ( 1.424 -7.940 -0.800) 8.106 4.452 ( -1.367 -5.395 2.301) 6.022 4.607 ( 6.521 2.650 -5.371) 8.854 5.321 ( -1.965 2.526 0.763) 3.290 5.522 ( -0.881 -0.727 0.227) 1.164 5.743 ( 0.263 -0.477 2.972) 3.021 5.840 ( -0.507 -1.319 1.179) 1.840 5.889 ( 0.320 1.101 -1.255) 1.700 5.943 ( -0.766 -0.710 -0.410) 1.122 6.717 ( -5.326 0.111 3.766) 6.524 6.960 ( 4.798 1.234 -3.731) 6.202 7.034 ( 2.006 0.365 0.519) 2.104 7.357 ( 6.560 4.986 6.538) 10.518 7.900 ( 4.369 -0.955 4.776) 6.543 8.065 ( -9.013 -7.112 -7.045) 13.470 8.650 ( 1.584 3.206 -6.063) 7.039 8.716 ( 2.126 -0.398 -3.086) 3.769 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 2.631 14.266 4.541) 15.201 0.719 ( -0.269 12.719 11.047) 16.848 1.059 ( -6.210 2.947 -0.070) 6.874 1.202 ( -2.257 -1.276 1.743) 3.124 1.521 ( 1.175 5.097 -0.289) 5.239 1.721 ( -1.759 -5.276 2.239) 5.995 1.826 ( 2.710 0.536 1.449) 3.120 1.941 ( 1.394 -3.025 -1.443) 3.630 2.023 ( 1.074 5.353 0.834) 5.523 2.232 ( 3.370 0.304 -1.265) 3.612 2.265 ( -1.751 4.377 -1.170) 4.858 2.519 ( -2.774 -1.888 1.197) 3.562 2.775 ( 4.672 7.856 -9.885) 13.463 2.917 ( -0.676 1.603 4.398) 4.729 2.968 ( -2.398 6.708 0.765) 7.164 3.260 ( -1.643 8.098 -2.180) 8.546 3.382 ( -0.129 -6.157 -0.524) 6.181 3.674 ( 0.109 -5.217 -1.695) 5.486 4.177 ( -3.934 -3.117 1.834) 5.344 4.304 ( -2.439 -8.098 1.373) 8.568 4.435 ( -0.154 -5.941 -0.509) 5.965 4.741 ( 6.779 2.642 -9.817) 12.219 5.324 ( 2.363 2.570 7.020) 7.840 5.510 ( -0.033 -1.149 0.444) 1.232 5.748 ( -0.049 -1.009 2.208) 2.428 5.835 ( -0.209 -1.337 1.030) 1.701 5.902 ( 0.466 0.651 -0.807) 1.137 5.948 ( 1.998 0.736 -0.467) 2.180 6.589 ( -7.503 -3.429 6.057) 10.234 7.036 ( 2.699 0.053 -2.776) 3.872 7.076 ( 1.688 0.725 1.328) 2.267 7.558 ( 12.667 2.626 7.531) 14.969 7.827 ( -12.492 -4.093 -8.242) 15.516 7.969 ( 0.389 -2.480 3.531) 4.332 8.707 ( 4.053 2.400 -3.700) 5.990 8.765 ( 3.549 3.586 -5.236) 7.271 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.929 7.695 3.225) 8.395 0.933 ( 2.318 7.309 5.807) 9.619 1.032 ( 2.378 1.089 -0.483) 2.659 1.142 ( 1.672 -5.150 0.576) 5.445 1.604 ( 1.021 0.708 2.827) 3.088 1.667 ( 4.137 -1.824 5.191) 6.884 1.873 ( -4.282 0.618 9.816) 10.727 1.923 ( 5.161 0.997 -4.204) 6.731 2.099 ( -5.694 2.853 1.731) 6.600 2.221 ( -0.273 -3.240 0.268) 3.262 2.375 ( 1.152 4.834 -1.707) 5.254 2.479 ( 1.318 -1.245 2.858) 3.384 2.952 ( -0.314 3.349 -0.716) 3.439 2.999 ( 4.025 5.322 -7.485) 10.027 3.049 ( -1.798 4.763 2.630) 5.730 3.143 ( -5.006 -4.247 -7.580) 10.028 3.398 ( -2.164 -1.504 -5.248) 5.872 3.540 ( -6.282 0.208 -0.859) 6.344 3.984 ( -0.017 -4.478 -1.873) 4.854 4.223 ( -1.559 -0.120 3.374) 3.718 4.311 ( -0.235 -5.007 -0.781) 5.073 4.859 ( 1.720 0.999 -10.793) 10.974 5.435 ( 2.191 2.104 4.918) 5.781 5.487 ( 2.528 -2.532 5.995) 6.981 5.740 ( 0.417 -0.153 1.648) 1.707 5.818 ( 0.365 -0.492 1.060) 1.224 5.918 ( 1.279 0.287 -0.837) 1.556 6.038 ( 3.960 0.639 1.759) 4.380 6.399 ( -5.712 -1.232 4.069) 7.120 7.073 ( 0.926 0.242 -2.890) 3.045 7.106 ( 0.202 0.395 1.567) 1.628 7.514 ( -11.477 0.307 -6.860) 13.374 7.849 ( 11.491 -1.127 6.104) 13.060 7.896 ( -3.544 -1.207 -0.502) 3.777 8.797 ( 1.570 2.360 -1.594) 3.252 8.854 ( 1.538 -1.484 -3.262) 3.900 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 1.292 6.692 4.140) 7.975 0.999 ( 2.548 2.973 12.084) 12.703 1.097 ( 4.086 3.612 -4.161) 6.860 1.185 ( 2.757 -3.065 2.635) 4.892 1.634 ( 2.339 -0.422 -1.625) 2.879 1.762 ( -0.641 0.179 8.584) 8.609 1.808 ( 1.612 -3.515 3.913) 5.501 1.929 ( -7.484 2.297 2.103) 8.106 2.047 ( 4.613 2.486 -2.898) 5.988 2.204 ( -1.021 -4.362 0.176) 4.484 2.432 ( 4.497 4.365 0.629) 6.298 2.532 ( 3.636 -1.725 4.385) 5.952 2.838 ( -9.996 0.556 0.109) 10.012 2.977 ( -3.182 7.950 0.044) 8.563 3.024 ( -0.545 6.377 -10.061) 11.924 3.113 ( -3.234 -3.723 -7.727) 9.167 3.322 ( -1.122 -4.368 -11.172) 12.048 3.393 ( -8.121 -0.174 3.356) 8.789 4.068 ( 6.467 -1.686 -2.352) 7.085 4.203 ( -0.225 -0.529 3.416) 3.464 4.304 ( -0.395 -4.503 -0.968) 4.623 4.821 ( -4.190 1.339 -7.838) 8.988 5.460 ( 0.739 -0.683 1.173) 1.546 5.578 ( 4.481 -0.556 11.420) 12.281 5.739 ( -1.296 0.232 1.964) 2.365 5.826 ( 0.280 -0.273 1.080) 1.149 5.955 ( 1.897 0.504 0.780) 2.112 6.103 ( 2.062 0.138 3.490) 4.056 6.362 ( 2.292 -0.249 -0.967) 2.501 7.073 ( -0.727 0.271 -4.262) 4.332 7.099 ( -0.915 0.447 2.001) 2.246 7.302 ( -8.611 1.161 -4.112) 9.613 7.815 ( -3.822 -0.794 -2.177) 4.469 8.062 ( 8.890 -2.536 5.085) 10.551 8.781 ( -2.972 3.171 -2.490) 5.008 8.851 ( -1.529 -3.329 -1.264) 3.876 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.823 7.882 6.523) 10.264 1.048 ( 1.434 1.268 10.905) 11.072 1.153 ( -0.064 0.506 0.906) 1.040 1.264 ( 5.424 -3.447 0.855) 6.483 1.684 ( 1.838 -1.677 0.983) 2.675 1.713 ( -2.374 2.326 -0.294) 3.337 1.804 ( -3.301 -3.371 1.292) 4.892 1.859 ( 1.515 -1.331 -2.340) 3.090 2.119 ( 1.234 3.997 0.198) 4.188 2.235 ( 4.556 -4.456 -1.692) 6.594 2.531 ( 3.690 5.331 5.071) 8.231 2.597 ( -0.592 -0.484 -0.790) 1.099 2.658 ( -4.908 -2.188 1.876) 5.692 2.872 ( -5.152 2.329 -7.677) 9.534 2.990 ( -4.133 7.340 -10.758) 13.664 3.018 ( -1.602 -1.474 1.028) 2.407 3.221 ( -7.120 -8.056 2.387) 11.014 3.366 ( 2.833 3.243 -7.449) 8.604 4.141 ( 0.680 -1.698 1.450) 2.335 4.259 ( 4.744 1.073 0.637) 4.905 4.299 ( 0.577 -3.739 -0.702) 3.848 4.711 ( -5.830 1.484 -3.339) 6.880 5.471 ( 0.206 -1.076 1.718) 2.038 5.651 ( 0.383 0.264 2.970) 3.006 5.698 ( -1.312 -0.232 8.241) 8.348 5.829 ( -0.142 0.005 0.961) 0.971 5.975 ( 0.080 0.335 2.459) 2.483 6.118 ( -0.802 0.082 4.078) 4.157 6.470 ( 7.663 0.783 -5.576) 9.509 7.026 ( -3.412 0.221 -8.520) 9.181 7.078 ( -1.314 0.357 2.536) 2.879 7.195 ( -1.982 1.207 1.136) 2.584 7.762 ( -1.017 0.189 -1.888) 2.153 8.203 ( 5.154 -2.954 4.042) 7.185 8.683 ( -6.145 0.471 -4.025) 7.361 8.806 ( -2.623 -1.705 -0.028) 3.128 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.606 5.906 6.059) 8.483 1.064 ( -2.108 -0.407 8.935) 9.190 1.083 ( -4.993 -4.448 3.561) 7.576 1.382 ( 5.925 -0.148 -1.377) 6.085 1.656 ( -1.971 2.620 3.645) 4.903 1.711 ( -0.899 -3.190 1.918) 3.829 1.798 ( 1.814 -1.204 -5.143) 5.585 1.889 ( 2.202 -2.628 -3.846) 5.152 2.154 ( 2.976 2.316 -0.218) 3.777 2.283 ( -0.677 -2.012 -7.562) 7.854 2.436 ( -9.628 4.420 -8.714) 13.717 2.519 ( -4.282 -3.176 -1.839) 5.639 2.702 ( 3.049 1.494 4.797) 5.877 2.827 ( -1.620 -0.351 -4.642) 4.929 2.909 ( -0.160 2.115 -4.872) 5.313 3.052 ( 3.627 1.890 10.513) 11.280 3.144 ( 0.655 -6.178 1.542) 6.401 3.405 ( 1.515 2.711 -3.273) 4.512 4.146 ( 0.302 -1.439 0.185) 1.482 4.282 ( -0.182 -2.310 0.418) 2.355 4.376 ( 4.329 1.387 1.635) 4.830 4.603 ( -4.517 1.398 -0.322) 4.739 5.473 ( -0.081 -0.991 2.735) 2.910 5.581 ( -4.674 -0.116 -3.244) 5.691 5.730 ( 1.370 0.000 10.384) 10.474 5.824 ( -0.337 -0.035 0.897) 0.959 5.970 ( -0.629 0.137 1.748) 1.863 6.084 ( -2.864 0.379 2.395) 3.752 6.614 ( 7.020 0.918 -4.589) 8.436 6.950 ( -2.890 0.284 -9.809) 10.230 7.054 ( -1.426 0.266 2.595) 2.973 7.197 ( 1.379 1.116 3.015) 3.498 7.769 ( 1.378 1.504 -1.185) 2.359 8.276 ( 1.575 -1.956 2.835) 3.787 8.560 ( -4.849 -3.177 -4.467) 7.318 8.754 ( -2.428 -0.032 -0.504) 2.480 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.428 -0.495 3.897) 3.952 0.937 ( -7.153 -3.330 5.576) 9.661 1.050 ( -1.852 1.769 3.476) 4.318 1.476 ( 2.918 0.379 -2.802) 4.063 1.627 ( -1.582 -1.254 2.453) 3.177 1.680 ( -1.781 0.274 4.921) 5.240 1.823 ( 0.817 1.281 -5.577) 5.780 1.933 ( 1.895 -5.203 -3.534) 6.569 2.155 ( -7.153 6.305 -9.046) 13.144 2.242 ( 1.000 4.123 -6.395) 7.675 2.278 ( -2.939 -5.025 -3.539) 6.812 2.452 ( -1.634 -5.767 -4.546) 7.523 2.731 ( 0.165 4.486 0.050) 4.489 2.793 ( 0.035 1.694 -1.199) 2.076 2.935 ( 1.683 -3.706 -4.230) 5.870 3.145 ( 3.992 -4.171 7.414) 9.397 3.257 ( 8.192 4.293 10.286) 13.833 3.438 ( 2.642 0.460 2.098) 3.405 4.161 ( 1.279 -1.230 -0.959) 2.017 4.277 ( -0.388 -1.272 0.557) 1.442 4.434 ( 1.195 1.198 3.417) 3.813 4.543 ( -1.402 1.116 0.249) 1.809 5.469 ( -1.707 0.796 0.189) 1.893 5.498 ( -2.110 -1.841 -0.558) 2.856 5.753 ( 0.200 0.430 7.469) 7.484 5.820 ( -0.105 -0.472 0.953) 1.068 5.955 ( -0.997 0.181 0.735) 1.252 6.016 ( -3.825 0.191 -0.369) 3.848 6.735 ( 5.357 0.938 -1.285) 5.588 6.906 ( -0.511 0.567 -9.627) 9.658 7.026 ( -1.469 0.115 1.722) 2.266 7.242 ( 2.710 1.168 4.016) 4.984 7.795 ( 1.160 1.861 -0.176) 2.200 8.244 ( -4.737 -1.611 -1.360) 5.185 8.531 ( 2.250 -4.469 -1.970) 5.377 8.714 ( -1.548 0.873 -1.672) 2.440 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -4.384 4.881 3.928) 7.647 0.933 ( 0.654 -3.842 2.958) 4.893 1.027 ( 0.269 0.302 1.486) 1.540 1.439 ( -7.050 -1.328 -5.580) 9.088 1.595 ( -1.206 -0.963 -1.939) 2.478 1.663 ( -0.576 -0.044 7.125) 7.148 1.845 ( 1.779 2.540 -3.824) 4.924 1.913 ( -3.530 -3.259 -2.712) 5.517 2.048 ( -0.830 8.575 -5.651) 10.303 2.202 ( -0.901 -4.423 -4.674) 6.498 2.318 ( 2.466 3.272 0.803) 4.175 2.457 ( 2.203 -7.888 -3.930) 9.084 2.737 ( 1.226 6.577 -3.377) 7.495 2.826 ( 2.605 -0.562 1.882) 3.263 2.962 ( 1.494 -4.990 -4.655) 6.985 3.199 ( 1.572 -0.807 1.380) 2.242 3.416 ( 5.512 2.483 11.326) 12.838 3.517 ( 4.453 0.934 5.580) 7.200 4.189 ( 1.288 -1.962 -0.880) 2.507 4.269 ( -0.367 0.061 0.508) 0.630 4.425 ( -2.411 -0.856 4.415) 5.103 4.555 ( 2.752 1.084 -1.557) 3.342 5.406 ( -2.917 1.157 -2.468) 3.993 5.500 ( 0.522 -1.442 3.008) 3.377 5.754 ( -0.504 0.802 4.912) 5.002 5.819 ( -0.199 -1.043 0.797) 1.328 5.929 ( -1.794 1.060 -0.849) 2.250 5.950 ( -2.082 -0.980 -1.500) 2.747 6.801 ( 0.201 1.120 1.669) 2.020 6.916 ( 2.264 0.694 -8.299) 8.630 7.009 ( 0.212 0.039 0.585) 0.623 7.311 ( 4.021 1.400 5.093) 6.638 7.823 ( 2.012 0.731 2.175) 3.052 8.122 ( -6.866 -2.975 -4.571) 8.768 8.609 ( 5.076 -2.085 -1.057) 5.588 8.690 ( -0.631 1.068 -3.380) 3.600 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.520 12.027 2.252) 12.247 0.932 ( -0.556 3.196 6.788) 7.524 1.064 ( 2.310 -6.365 -2.135) 7.100 1.239 ( -10.727 -2.060 -5.935) 12.431 1.589 ( 0.611 1.977 -4.448) 4.906 1.654 ( -1.048 -2.806 6.721) 7.359 1.793 ( -3.315 -1.888 -1.233) 4.009 1.928 ( 2.392 1.552 1.710) 3.325 2.080 ( 3.393 7.398 -1.603) 8.295 2.199 ( 0.489 -2.840 0.147) 2.886 2.362 ( 1.852 5.774 -0.232) 6.068 2.492 ( 0.600 -6.587 -2.032) 6.920 2.785 ( 4.290 6.022 -4.258) 8.532 2.882 ( 2.574 -1.400 1.936) 3.512 2.988 ( 1.573 -4.319 -3.833) 5.985 3.247 ( 4.016 -0.316 -2.802) 4.907 3.444 ( -3.386 1.150 6.237) 7.190 3.607 ( 3.347 2.045 4.700) 6.121 4.188 ( -2.337 -3.622 0.943) 4.412 4.263 ( -0.457 1.521 0.564) 1.685 4.360 ( -3.671 -3.943 3.211) 6.272 4.646 ( 6.428 1.124 -5.132) 8.302 5.366 ( -0.872 1.780 1.248) 2.342 5.501 ( -0.810 -1.077 1.220) 1.818 5.746 ( -0.598 0.521 3.242) 3.338 5.812 ( -0.353 -1.213 0.250) 1.288 5.908 ( 0.190 0.993 -1.273) 1.626 5.927 ( -0.356 -0.938 -0.960) 1.389 6.725 ( -7.441 0.437 2.911) 8.002 6.974 ( 3.863 0.314 -6.099) 7.226 7.042 ( 2.436 0.288 0.728) 2.559 7.418 ( 6.646 1.574 6.023) 9.106 7.885 ( 3.508 -0.446 4.373) 5.624 7.967 ( -8.430 -2.841 -6.317) 10.911 8.688 ( 1.212 0.961 -4.841) 5.082 8.712 ( 5.138 -0.094 -1.735) 5.423 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 3.323 13.101 1.900) 13.648 0.934 ( -0.508 8.896 8.064) 12.018 1.044 ( -4.491 -3.781 -6.808) 8.990 1.115 ( 0.593 -7.482 1.324) 7.622 1.587 ( -0.249 2.167 0.863) 2.346 1.640 ( -0.570 -3.272 3.967) 5.174 1.806 ( 4.596 -0.945 -2.454) 5.295 1.941 ( -1.731 1.184 7.259) 7.556 2.140 ( 1.525 5.497 0.802) 5.760 2.214 ( 0.720 -2.229 1.111) 2.593 2.378 ( -0.290 6.476 -1.856) 6.743 2.476 ( -1.138 -2.946 0.771) 3.251 2.894 ( 6.461 4.341 -6.597) 10.203 2.927 ( 1.981 0.577 1.604) 2.613 3.020 ( 2.094 -2.040 -2.994) 4.184 3.314 ( -7.428 1.123 1.106) 7.593 3.355 ( 4.241 -0.444 -4.064) 5.891 3.627 ( -1.890 0.764 0.372) 2.072 4.080 ( -7.526 -4.685 1.791) 9.044 4.248 ( -1.148 1.244 1.651) 2.365 4.319 ( -0.815 -5.603 0.321) 5.671 4.777 ( 6.727 0.973 -9.202) 11.440 5.378 ( 1.824 2.557 6.097) 6.859 5.479 ( -0.985 -1.799 0.229) 2.063 5.738 ( -0.398 -0.133 2.177) 2.217 5.812 ( 0.194 -0.853 0.678) 1.106 5.908 ( -0.037 0.117 -0.733) 0.743 5.959 ( 3.443 0.382 -0.129) 3.467 6.552 ( -9.386 -0.810 4.212) 10.320 7.039 ( 2.835 0.166 -3.902) 4.826 7.086 ( 1.676 0.316 1.222) 2.098 7.589 ( 9.295 0.775 5.297) 10.727 7.775 ( -9.624 -1.438 -6.145) 11.509 7.933 ( 0.170 -1.090 2.927) 3.128 8.737 ( 3.776 0.900 -3.613) 5.303 8.801 ( 3.887 0.650 -2.940) 4.917 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -3.068 0.000 13.873) 14.208 0.680 ( -1.670 0.000 13.823) 13.924 1.188 ( 4.161 0.000 13.026) 13.675 1.346 ( 2.100 0.000 4.194) 4.691 1.444 ( 8.063 0.000 0.183) 8.065 1.679 ( -0.299 0.000 -7.059) 7.065 1.897 ( -0.211 0.000 2.005) 2.016 1.999 ( 1.456 0.000 8.830) 8.949 2.080 ( 5.022 0.000 -12.296) 13.282 2.168 ( 5.205 0.000 -1.391) 5.388 2.188 ( 2.211 0.000 -4.163) 4.713 2.402 ( -2.166 0.000 3.267) 3.920 2.481 ( -2.754 0.000 4.622) 5.380 2.660 ( -10.168 0.000 5.263) 11.449 2.985 ( 4.279 0.000 -1.969) 4.710 3.008 ( 6.508 0.000 1.808) 6.755 3.415 ( -8.495 0.000 -11.278) 14.120 3.499 ( -6.261 0.000 -6.435) 8.979 4.311 ( -0.553 0.000 -0.238) 0.602 4.320 ( 0.053 0.000 -3.779) 3.779 4.502 ( -6.258 0.000 0.157) 6.260 4.561 ( 2.809 0.000 -2.623) 3.843 5.588 ( 2.668 0.000 2.120) 3.408 5.693 ( 3.913 0.000 3.060) 4.967 5.776 ( 2.864 0.000 0.263) 2.876 5.838 ( -1.299 0.000 0.149) 1.308 5.907 ( -0.959 0.000 -0.218) 0.983 5.933 ( 0.694 0.000 1.548) 1.696 6.850 ( 4.779 0.000 1.035) 4.889 7.098 ( 0.094 0.000 1.733) 1.736 7.136 ( -1.523 0.000 1.359) 2.041 7.167 ( -24.572 0.000 -6.900) 25.522 8.055 ( -7.408 0.000 3.333) 8.123 8.378 ( 3.345 0.000 4.581) 5.672 8.395 ( 24.533 0.000 -5.809) 25.211 8.667 ( 2.714 0.000 -2.732) 3.851 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 4.992 0.000 11.961) 12.961 0.719 ( 4.807 0.000 10.101) 11.186 1.237 ( 0.606 0.000 7.809) 7.833 1.379 ( 0.447 0.000 2.199) 2.243 1.559 ( 3.091 0.000 -0.907) 3.221 1.667 ( 0.004 0.000 -6.828) 6.828 1.918 ( 3.346 0.000 -5.768) 6.669 2.130 ( 6.736 0.000 16.982) 18.269 2.171 ( 4.469 0.000 -11.692) 12.517 2.205 ( 0.196 0.000 -5.324) 5.328 2.264 ( 4.815 0.000 -2.611) 5.478 2.364 ( -2.196 0.000 3.153) 3.842 2.473 ( 2.505 0.000 7.034) 7.467 2.501 ( -5.319 0.000 5.135) 7.394 3.071 ( 3.038 0.000 -2.980) 4.255 3.104 ( -1.940 0.000 1.175) 2.268 3.315 ( 3.258 0.000 -10.936) 11.411 3.360 ( -5.612 0.000 -2.385) 6.098 4.282 ( -2.303 0.000 0.317) 2.325 4.314 ( -0.321 0.000 -4.406) 4.418 4.372 ( -6.286 0.000 2.960) 6.948 4.596 ( 0.587 0.000 -1.831) 1.923 5.639 ( 2.104 0.000 3.042) 3.698 5.674 ( -3.006 0.000 -2.627) 3.992 5.820 ( -0.510 0.000 0.649) 0.825 5.883 ( 2.117 0.000 -1.048) 2.362 5.931 ( -1.107 0.000 0.200) 1.125 5.933 ( 6.101 0.000 2.485) 6.587 6.742 ( -16.880 0.000 3.133) 17.169 6.937 ( 3.309 0.000 3.309) 4.680 7.095 ( -0.669 0.000 1.980) 2.090 7.115 ( -0.353 0.000 1.363) 1.408 7.880 ( -9.541 0.000 0.358) 9.548 8.450 ( 3.149 0.000 3.942) 5.045 8.565 ( -0.744 0.000 -5.979) 6.025 8.837 ( 9.033 0.000 -10.548) 13.887 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 7.946 0.000 7.614) 11.005 0.868 ( 8.809 0.000 4.519) 9.900 1.232 ( -1.889 0.000 5.497) 5.813 1.369 ( -0.848 0.000 -1.753) 1.948 1.605 ( 2.551 0.000 -0.089) 2.553 1.661 ( -0.580 0.000 -5.899) 5.927 1.929 ( -4.066 0.000 -11.847) 12.525 2.167 ( -0.091 0.000 1.086) 1.090 2.220 ( 1.344 0.000 -7.351) 7.473 2.262 ( -6.460 0.000 2.846) 7.059 2.264 ( 3.974 0.000 5.121) 6.482 2.374 ( 5.546 0.000 -7.071) 8.986 2.521 ( 6.080 0.000 5.401) 8.133 2.617 ( 9.149 0.000 13.540) 16.341 2.983 ( -6.068 0.000 -3.368) 6.940 3.020 ( -6.939 0.000 -3.533) 7.786 3.356 ( 4.338 0.000 1.918) 4.743 3.449 ( 7.139 0.000 -0.696) 7.173 4.232 ( -2.518 0.000 0.843) 2.655 4.278 ( -3.097 0.000 1.233) 3.334 4.302 ( -0.418 0.000 -4.379) 4.399 4.575 ( -2.439 0.000 -1.131) 2.689 5.597 ( -4.426 0.000 -3.641) 5.731 5.669 ( 0.462 0.000 3.197) 3.230 5.822 ( 0.639 0.000 0.878) 1.086 5.893 ( -2.373 0.000 -0.162) 2.379 5.907 ( 1.137 0.000 -0.365) 1.194 6.050 ( 3.553 0.000 1.828) 3.996 6.526 ( -4.975 0.000 4.249) 6.542 6.962 ( -1.390 0.000 2.950) 3.261 7.077 ( -1.245 0.000 2.026) 2.378 7.130 ( 1.319 0.000 1.956) 2.360 7.719 ( -5.542 0.000 -1.081) 5.647 8.500 ( 1.562 0.000 3.095) 3.467 8.510 ( -3.566 0.000 -6.197) 7.149 8.909 ( 0.249 0.000 -9.915) 9.918 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 6.002 0.000 3.718) 7.060 1.047 ( 8.486 0.000 0.017) 8.486 1.168 ( -5.077 0.000 3.935) 6.423 1.368 ( 1.462 0.000 -4.580) 4.807 1.619 ( -3.095 0.000 -5.666) 6.456 1.658 ( 1.227 0.000 1.486) 1.927 1.751 ( -10.381 0.000 -11.965) 15.841 2.132 ( -6.355 0.000 0.580) 6.382 2.156 ( -1.218 0.000 3.134) 3.362 2.207 ( -2.531 0.000 -0.459) 2.573 2.357 ( 4.236 0.000 0.858) 4.322 2.478 ( 4.897 0.000 -8.265) 9.607 2.688 ( 8.291 0.000 -1.504) 8.426 2.708 ( -1.718 0.000 -0.044) 1.719 2.897 ( -2.379 0.000 3.432) 4.176 2.981 ( 5.730 0.000 9.375) 10.988 3.449 ( 3.614 0.000 2.067) 4.163 3.561 ( 4.360 0.000 5.693) 7.171 4.180 ( -2.483 0.000 1.532) 2.918 4.274 ( 2.594 0.000 -2.760) 3.788 4.291 ( -0.272 0.000 -3.849) 3.858 4.511 ( -3.498 0.000 -0.907) 3.614 5.498 ( -5.002 0.000 -3.573) 6.147 5.653 ( -2.353 0.000 1.093) 2.594 5.830 ( -0.443 0.000 -0.120) 0.459 5.867 ( 0.473 0.000 2.814) 2.854 5.927 ( 0.882 0.000 -0.444) 0.987 6.054 ( -2.632 0.000 4.119) 4.888 6.542 ( 5.017 0.000 1.086) 5.133 6.893 ( -5.294 0.000 0.224) 5.299 7.055 ( -1.079 0.000 2.040) 2.308 7.151 ( 0.628 0.000 0.875) 1.077 7.689 ( 2.327 0.000 1.696) 2.879 8.428 ( -3.888 0.000 -7.478) 8.428 8.515 ( -0.341 0.000 2.559) 2.581 8.867 ( -3.139 0.000 -8.267) 8.843 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -9.367 0.000 3.125) 9.874 1.069 ( 1.250 0.000 2.050) 2.401 1.186 ( 5.102 0.000 -2.616) 5.734 1.413 ( 2.565 0.000 -5.851) 6.389 1.476 ( -11.478 0.000 -10.524) 15.572 1.552 ( -2.076 0.000 -5.337) 5.726 1.717 ( 0.764 0.000 6.380) 6.425 2.017 ( -5.355 0.000 -0.807) 5.416 2.132 ( -4.340 0.000 3.225) 5.407 2.138 ( -0.623 0.000 1.065) 1.234 2.399 ( -0.476 0.000 2.664) 2.706 2.514 ( -1.025 0.000 -5.516) 5.611 2.660 ( -1.540 0.000 -4.016) 4.301 2.759 ( 2.720 0.000 -8.746) 9.159 3.038 ( 12.411 0.000 7.569) 14.537 3.076 ( 1.025 0.000 8.068) 8.132 3.471 ( -2.013 0.000 2.343) 3.089 3.661 ( 5.596 0.000 8.083) 9.832 4.154 ( -0.082 0.000 0.448) 0.455 4.286 ( 0.141 0.000 -3.165) 3.168 4.360 ( 6.019 0.000 -3.959) 7.204 4.457 ( -1.398 0.000 -1.399) 1.977 5.403 ( -4.074 0.000 -1.509) 4.344 5.588 ( -3.661 0.000 -1.784) 4.072 5.826 ( 0.162 0.000 2.533) 2.539 5.892 ( 1.140 0.000 2.790) 3.014 5.937 ( -0.097 0.000 -0.485) 0.494 5.992 ( -3.214 0.000 4.083) 5.196 6.677 ( 7.993 0.000 1.421) 8.118 6.781 ( -5.146 0.000 -2.486) 5.715 7.046 ( 0.148 0.000 2.132) 2.137 7.164 ( 0.723 0.000 -0.058) 0.726 7.785 ( 6.229 0.000 4.925) 7.941 8.346 ( -3.928 0.000 -10.119) 10.854 8.494 ( -1.932 0.000 2.606) 3.244 8.785 ( -4.129 0.000 -6.800) 7.956 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -11.417 0.000 4.603) 12.310 1.046 ( -3.650 0.000 3.472) 5.038 1.204 ( -4.021 0.000 -0.761) 4.093 1.323 ( -2.560 0.000 -4.427) 5.114 1.403 ( -3.038 0.000 -1.667) 3.465 1.569 ( 3.544 0.000 -7.878) 8.638 1.730 ( 0.684 0.000 6.063) 6.102 1.932 ( -2.355 0.000 -1.734) 2.924 2.070 ( -2.006 0.000 2.037) 2.859 2.132 ( -0.352 0.000 0.216) 0.413 2.351 ( -4.078 0.000 4.057) 5.752 2.465 ( -2.448 0.000 -3.208) 4.035 2.648 ( 0.188 0.000 -3.638) 3.643 2.819 ( 3.332 0.000 -6.831) 7.600 3.034 ( -4.757 0.000 4.452) 6.515 3.265 ( 5.175 0.000 7.864) 9.414 3.397 ( -1.429 0.000 -1.400) 2.001 3.766 ( 2.972 0.000 3.474) 4.571 4.180 ( 2.725 0.000 -0.561) 2.782 4.292 ( 0.658 0.000 -2.533) 2.617 4.453 ( 0.744 0.000 -2.464) 2.574 4.486 ( 6.535 0.000 -4.794) 8.105 5.352 ( -0.725 0.000 3.619) 3.691 5.525 ( -2.173 0.000 -2.372) 3.217 5.838 ( 0.674 0.000 3.633) 3.695 5.902 ( -3.100 0.000 1.927) 3.650 5.909 ( 0.336 0.000 2.121) 2.148 5.963 ( -0.326 0.000 0.397) 0.514 6.707 ( -1.862 0.000 -3.474) 3.942 6.860 ( 10.471 0.000 4.493) 11.394 7.071 ( 2.667 0.000 3.006) 4.018 7.177 ( 0.506 0.000 0.014) 0.507 7.920 ( 6.652 0.000 6.232) 9.115 8.237 ( -6.678 0.000 -14.890) 16.319 8.448 ( -2.816 0.000 3.289) 4.330 8.705 ( -3.085 0.000 -4.394) 5.369 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -1.781 0.000 13.938) 14.051 0.938 ( -7.631 0.000 7.534) 10.723 1.098 ( -5.547 0.000 7.159) 9.056 1.295 ( -0.475 0.000 -1.949) 2.006 1.335 ( -2.900 0.000 1.962) 3.501 1.632 ( 3.149 0.000 -8.154) 8.741 1.778 ( 3.764 0.000 2.709) 4.638 1.939 ( 3.059 0.000 -4.628) 5.547 2.049 ( -0.326 0.000 -1.698) 1.729 2.106 ( -2.519 0.000 0.470) 2.563 2.268 ( -4.376 0.000 3.297) 5.479 2.433 ( -0.629 0.000 0.193) 0.658 2.633 ( -2.228 0.000 -1.000) 2.443 2.864 ( 1.658 0.000 -4.142) 4.461 2.944 ( -3.507 0.000 1.731) 3.911 3.142 ( -11.168 0.000 5.907) 12.634 3.518 ( 6.751 0.000 -3.869) 7.781 3.749 ( -4.552 0.000 -4.555) 6.439 4.249 ( 3.661 0.000 -0.929) 3.777 4.305 ( 0.815 0.000 -2.161) 2.309 4.471 ( 1.388 0.000 -3.555) 3.817 4.583 ( 3.222 0.000 -5.433) 6.317 5.396 ( 4.674 0.000 9.069) 10.203 5.507 ( 0.464 0.000 -1.052) 1.150 5.842 ( -2.900 0.000 1.191) 3.135 5.856 ( 0.850 0.000 2.571) 2.708 5.909 ( -0.395 0.000 2.015) 2.053 5.955 ( -0.667 0.000 -0.520) 0.846 6.704 ( 1.703 0.000 -2.861) 3.329 7.035 ( 4.273 0.000 1.682) 4.592 7.180 ( -0.342 0.000 0.526) 0.627 7.251 ( 18.338 0.000 10.227) 20.997 8.030 ( -13.238 0.000 -18.674) 22.890 8.048 ( 5.464 0.000 6.372) 8.394 8.392 ( -3.189 0.000 4.112) 5.204 8.663 ( -1.002 0.000 -2.436) 2.634 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.153 0.000 15.940) 15.941 0.777 ( -8.590 0.000 11.691) 14.507 1.066 ( 3.409 0.000 15.990) 16.349 1.313 ( 0.407 0.000 3.743) 3.765 1.320 ( 3.605 0.000 -1.140) 3.781 1.674 ( 1.642 0.000 -7.340) 7.522 1.860 ( 3.383 0.000 2.670) 4.310 2.009 ( 3.674 0.000 -9.905) 10.564 2.046 ( -3.238 0.000 -0.202) 3.244 2.072 ( 3.666 0.000 -1.696) 4.040 2.188 ( -3.222 0.000 1.388) 3.508 2.428 ( -0.556 0.000 2.719) 2.775 2.556 ( -4.785 0.000 3.151) 5.729 2.853 ( -6.354 0.000 4.124) 7.575 2.925 ( 1.631 0.000 0.116) 1.635 2.951 ( -3.729 0.000 -1.444) 3.999 3.578 ( -0.478 0.000 -6.342) 6.360 3.602 ( -8.847 0.000 -9.132) 12.715 4.302 ( 1.611 0.000 -0.929) 1.860 4.317 ( 0.542 0.000 -2.726) 2.779 4.506 ( 2.577 0.000 -3.433) 4.292 4.591 ( -2.090 0.000 -3.634) 4.192 5.536 ( 2.266 0.000 0.741) 2.384 5.538 ( 8.256 0.000 9.152) 12.326 5.793 ( -2.126 0.000 -0.277) 2.144 5.862 ( -0.736 0.000 0.143) 0.749 5.912 ( 0.804 0.000 2.850) 2.962 5.934 ( -1.367 0.000 -0.708) 1.540 6.761 ( 4.015 0.000 -1.243) 4.203 7.082 ( 1.308 0.000 1.308) 1.850 7.164 ( -1.274 0.000 1.082) 1.671 7.638 ( -14.554 0.000 -17.635) 22.865 7.803 ( 24.485 0.000 8.644) 25.966 8.125 ( 0.659 0.000 5.737) 5.774 8.343 ( -1.113 0.000 4.403) 4.541 8.654 ( 0.103 0.000 -2.164) 2.167 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 2.200 2.969 11.542) 12.119 0.843 ( -3.069 9.771 13.004) 16.553 1.199 ( 2.933 1.150 11.273) 11.705 1.273 ( 2.504 -4.379 2.795) 5.767 1.548 ( 6.968 7.454 1.639) 10.334 1.676 ( -1.585 -0.108 -5.628) 5.848 1.880 ( 2.397 -0.918 -1.395) 2.921 2.002 ( 2.073 0.176 7.344) 7.633 2.056 ( -0.400 -0.248 -2.709) 2.749 2.186 ( 3.817 1.422 4.618) 6.158 2.267 ( 4.765 3.793 -2.966) 6.774 2.383 ( -1.287 2.996 -9.122) 9.688 2.554 ( -2.310 3.172 3.734) 5.417 2.744 ( -9.541 9.415 5.752) 14.586 2.908 ( 2.743 -2.777 -0.151) 3.906 3.117 ( 4.315 5.356 -0.737) 6.917 3.361 ( -6.034 -4.144 -8.439) 11.172 3.484 ( -6.333 -2.440 -9.459) 11.642 4.246 ( -1.211 -4.005 0.927) 4.286 4.347 ( -1.974 -0.927 -1.579) 2.692 4.469 ( -3.233 -3.265 -1.782) 4.928 4.561 ( 2.792 0.524 -4.575) 5.385 5.567 ( 2.600 -2.493 1.697) 3.982 5.668 ( 2.850 -1.244 3.914) 4.999 5.776 ( 2.363 0.038 0.944) 2.545 5.860 ( -0.504 1.164 0.958) 1.590 5.893 ( -0.785 -0.602 0.233) 1.016 5.968 ( 1.992 2.881 0.717) 3.575 6.767 ( -0.707 -7.878 4.750) 9.226 7.038 ( -4.758 -3.250 -1.515) 5.958 7.110 ( 0.014 0.938 1.661) 1.907 7.281 ( -12.752 5.360 -5.757) 14.983 8.021 ( -7.332 -3.313 2.572) 8.447 8.155 ( 15.800 -10.332 3.071) 19.126 8.600 ( 4.305 8.152 -4.081) 10.082 8.696 ( 5.970 3.046 -3.069) 7.371 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 7.836 5.372 7.151) 11.891 0.810 ( -0.180 8.736 11.582) 14.508 1.236 ( 0.456 0.055 7.874) 7.887 1.335 ( 2.508 -3.294 2.437) 4.805 1.620 ( 0.492 0.979 -3.581) 3.745 1.667 ( 1.340 4.432 -3.304) 5.688 1.918 ( 1.970 -0.329 -4.447) 4.875 2.055 ( 1.766 -5.422 8.800) 10.485 2.098 ( 2.951 -4.089 -1.836) 5.367 2.291 ( 3.700 5.050 0.390) 6.273 2.334 ( 3.133 3.943 -3.708) 6.254 2.361 ( 1.758 3.047 -2.050) 4.071 2.497 ( -3.033 1.620 3.132) 4.650 2.616 ( -2.808 10.700 4.257) 11.853 2.985 ( 2.996 -5.494 1.157) 6.364 3.103 ( -5.387 -3.097 -4.833) 7.872 3.305 ( -2.611 -0.337 -1.880) 3.235 3.397 ( 2.757 2.585 -7.255) 8.180 4.207 ( -2.229 -5.654 0.035) 6.077 4.299 ( -2.604 -0.888 0.981) 2.921 4.411 ( -2.329 0.572 -3.013) 3.851 4.593 ( 0.487 0.291 -2.474) 2.538 5.611 ( 1.326 -3.164 2.141) 4.044 5.658 ( -1.951 -0.737 -1.802) 2.756 5.824 ( 0.310 0.542 1.000) 1.179 5.883 ( 0.214 -1.171 2.633) 2.890 5.903 ( 3.575 1.567 0.882) 4.002 6.011 ( 3.055 4.386 -0.863) 5.414 6.654 ( -9.957 -7.030 6.863) 13.988 6.962 ( -1.013 1.032 -1.003) 1.760 7.108 ( -0.510 1.242 2.349) 2.706 7.153 ( -2.129 3.331 0.368) 3.970 7.858 ( -8.480 -2.098 -0.040) 8.736 8.371 ( 6.916 -7.069 2.646) 10.237 8.592 ( -2.396 2.402 -4.916) 5.973 8.841 ( 5.371 0.151 -8.108) 9.727 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 3.469 2.836 8.974) 10.031 0.950 ( 9.462 5.301 2.124) 11.052 1.229 ( -1.912 0.005 5.495) 5.818 1.370 ( 1.252 0.246 -0.357) 1.325 1.613 ( -0.851 -0.502 -2.185) 2.398 1.695 ( 1.674 4.185 -4.453) 6.336 1.919 ( -2.983 -1.110 -9.044) 9.588 2.086 ( 0.539 -8.796 8.699) 12.382 2.104 ( -0.857 -4.938 -1.998) 5.395 2.293 ( -2.586 4.119 -4.967) 6.952 2.363 ( -2.465 0.867 3.552) 4.410 2.390 ( 4.549 3.017 -10.614) 11.935 2.564 ( 6.376 4.568 1.617) 8.009 2.662 ( 6.515 4.413 11.459) 13.901 2.920 ( -6.348 -4.760 -2.619) 8.355 3.033 ( -2.573 0.255 -2.708) 3.744 3.301 ( 4.043 -3.203 3.691) 6.342 3.484 ( 3.258 0.634 0.243) 3.328 4.189 ( 1.018 -3.627 -2.693) 4.631 4.248 ( -2.487 1.037 2.060) 3.392 4.371 ( -1.460 1.798 -2.890) 3.704 4.572 ( -2.452 0.187 -1.010) 2.659 5.578 ( -3.836 -1.564 -3.026) 5.130 5.652 ( 0.536 -1.694 2.821) 3.334 5.830 ( 0.503 0.711 1.234) 1.510 5.882 ( -0.874 -0.436 2.334) 2.530 5.935 ( 0.250 2.637 -0.572) 2.710 6.088 ( 2.892 3.116 -0.089) 4.252 6.508 ( -3.527 -1.916 4.623) 6.123 6.938 ( -2.435 -2.139 0.589) 3.294 7.093 ( -1.023 1.484 2.157) 2.811 7.148 ( 0.692 1.559 1.858) 2.522 7.720 ( -4.517 0.126 -1.067) 4.643 8.454 ( 0.722 -3.822 2.395) 4.568 8.533 ( -1.820 1.196 -5.864) 6.256 8.871 ( -0.926 -3.351 -7.912) 8.642 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 4.996 -2.076 4.480) 7.025 1.111 ( 5.532 2.711 0.077) 6.161 1.171 ( -3.849 1.138 3.601) 5.392 1.401 ( 2.500 3.027 -3.814) 5.474 1.575 ( -2.938 -2.329 -1.171) 3.928 1.714 ( -0.334 3.494 -4.016) 5.334 1.771 ( -8.854 1.847 -9.416) 13.057 2.072 ( -3.062 -5.722 4.248) 7.757 2.117 ( 1.745 -3.975 -1.177) 4.498 2.187 ( -6.699 -2.097 0.837) 7.069 2.352 ( 1.376 0.469 -0.600) 1.573 2.477 ( 3.630 -0.470 -6.597) 7.545 2.667 ( 1.445 -2.155 -5.144) 5.761 2.762 ( 5.364 3.279 1.743) 6.524 2.833 ( -2.356 -2.569 1.080) 3.650 3.068 ( 6.268 6.490 8.434) 12.351 3.400 ( 3.821 -4.101 2.675) 6.211 3.520 ( 1.677 -4.433 6.770) 8.264 4.192 ( -1.562 0.356 0.629) 1.721 4.258 ( 3.950 2.080 -3.108) 5.439 4.350 ( -0.163 2.094 -1.850) 2.799 4.506 ( -3.662 0.303 -0.499) 3.708 5.490 ( -4.523 -0.578 -3.162) 5.549 5.648 ( -1.451 -0.943 2.186) 2.788 5.844 ( -0.143 1.288 0.751) 1.498 5.854 ( -0.681 -0.609 2.818) 2.962 5.942 ( 0.582 1.499 -0.773) 1.784 6.082 ( -2.990 2.246 2.964) 4.772 6.540 ( 5.458 -0.232 0.550) 5.491 6.862 ( -4.900 -2.811 -1.187) 5.772 7.074 ( -1.139 1.715 2.507) 3.244 7.164 ( 0.827 1.239 0.743) 1.665 7.699 ( 2.174 0.996 1.418) 2.780 8.399 ( -4.361 -2.388 -4.033) 6.402 8.533 ( 0.471 0.886 -1.084) 1.477 8.818 ( -3.304 -4.501 -6.805) 8.802 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.584 -2.435 0.813) 2.633 1.052 ( -4.402 0.497 4.254) 6.142 1.184 ( -0.002 -1.008 -0.074) 1.011 1.450 ( 1.015 2.176 -4.577) 5.168 1.494 ( -5.894 2.467 -8.124) 10.336 1.573 ( -3.705 2.493 -7.722) 8.920 1.736 ( 0.193 1.899 4.563) 4.946 1.980 ( -5.763 -2.749 1.189) 6.495 2.071 ( -4.213 -5.781 3.936) 8.164 2.151 ( 1.340 -0.104 -1.245) 1.832 2.381 ( 0.519 -0.694 -0.523) 1.012 2.497 ( -0.938 -1.981 -4.481) 4.988 2.638 ( -1.279 -1.612 -4.733) 5.161 2.814 ( 1.280 2.519 -4.239) 5.094 2.943 ( 9.188 -3.638 4.549) 10.878 3.172 ( 2.551 3.864 3.438) 5.767 3.432 ( -0.198 -2.152 4.371) 4.877 3.607 ( 5.700 -4.565 8.595) 11.278 4.175 ( -0.008 1.639 0.319) 1.670 4.312 ( 1.301 1.350 -2.261) 2.938 4.386 ( 3.307 2.904 -1.603) 4.684 4.451 ( -0.809 0.013 -1.551) 1.749 5.405 ( -3.505 0.326 -1.045) 3.672 5.598 ( -3.363 0.615 -0.921) 3.541 5.828 ( -0.472 0.189 3.923) 3.956 5.871 ( 0.856 -1.051 1.365) 1.924 5.951 ( 0.253 0.862 -0.589) 1.074 6.011 ( -3.899 1.428 3.605) 5.499 6.676 ( 7.457 -0.092 0.357) 7.466 6.768 ( -3.604 -1.237 -3.299) 5.040 7.054 ( -0.960 0.770 2.377) 2.676 7.189 ( 1.806 2.400 0.013) 3.004 7.786 ( 5.794 0.225 4.579) 7.388 8.303 ( -4.910 -3.590 -7.443) 9.612 8.525 ( -1.190 2.347 -0.241) 2.643 8.744 ( -3.360 -3.958 -5.516) 7.575 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -8.621 5.358 5.271) 11.437 1.008 ( -5.996 -3.588 4.814) 8.485 1.159 ( -1.144 -4.174 -0.931) 4.427 1.359 ( -4.295 4.109 -4.783) 7.629 1.414 ( -3.694 0.244 -1.892) 4.157 1.605 ( 3.826 3.791 -7.161) 8.960 1.766 ( 2.659 3.287 5.404) 6.861 1.886 ( -2.949 -3.531 0.568) 4.635 2.031 ( -0.402 -3.699 1.861) 4.160 2.162 ( -0.403 1.583 -0.825) 1.830 2.348 ( -3.530 0.438 0.625) 3.611 2.463 ( -1.529 -1.058 -2.672) 3.256 2.628 ( 0.106 -1.276 -3.293) 3.533 2.847 ( 1.878 0.918 -4.231) 4.719 3.030 ( -1.201 1.333 3.023) 3.515 3.272 ( 8.707 -5.718 -2.033) 10.614 3.384 ( -5.682 4.516 6.370) 9.657 3.713 ( 3.248 -4.708 3.286) 6.596 4.194 ( 1.813 1.313 -0.619) 2.323 4.333 ( 1.140 2.312 -0.990) 2.761 4.416 ( 1.274 -1.761 -3.612) 4.216 4.498 ( 3.708 0.704 -2.008) 4.275 5.364 ( -0.505 1.188 3.700) 3.919 5.534 ( -2.448 0.826 -2.213) 3.402 5.831 ( 0.259 -0.758 5.146) 5.208 5.880 ( -0.231 -0.643 0.414) 0.799 5.933 ( -2.466 0.918 2.453) 3.597 5.963 ( -0.607 -0.090 0.142) 0.630 6.708 ( -0.967 0.211 -3.930) 4.053 6.850 ( 9.024 -1.083 2.694) 9.480 7.047 ( 0.117 -1.259 1.944) 2.318 7.238 ( 3.448 4.802 1.080) 6.009 7.916 ( 6.519 -0.386 6.188) 8.997 8.179 ( -7.254 -5.035 -11.293) 14.336 8.489 ( -2.262 3.332 -0.094) 4.029 8.686 ( -1.888 -1.861 -3.602) 4.472 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -3.708 6.521 11.878) 14.048 0.863 ( -6.770 -3.860 10.610) 13.164 1.132 ( -1.696 1.157 2.975) 3.614 1.310 ( -1.916 -0.141 -1.275) 2.306 1.356 ( -0.556 3.201 0.298) 3.263 1.658 ( 2.099 3.783 -5.114) 6.699 1.825 ( 2.155 3.347 2.859) 4.901 1.890 ( 3.160 -3.396 -1.459) 4.863 2.052 ( 2.714 0.468 -1.949) 3.374 2.125 ( -3.004 0.115 1.585) 3.398 2.274 ( -3.738 1.965 0.362) 4.238 2.439 ( -0.805 0.220 -2.243) 2.393 2.615 ( -1.407 -1.204 -0.212) 1.864 2.866 ( 0.306 -0.120 -3.579) 3.594 2.998 ( -0.812 5.323 0.815) 5.446 3.223 ( -10.341 7.257 5.185) 13.656 3.435 ( 6.309 -7.737 -3.544) 10.593 3.713 ( -3.177 -3.667 -4.736) 6.780 4.233 ( 1.746 -0.195 -0.106) 1.760 4.356 ( 1.187 2.391 -1.746) 3.190 4.449 ( 2.387 -1.832 -5.883) 6.608 4.547 ( 1.059 -3.013 -2.122) 3.835 5.401 ( 3.763 0.757 8.502) 9.328 5.511 ( 0.390 0.410 -0.634) 0.849 5.829 ( -1.717 -1.151 2.332) 3.116 5.870 ( 0.340 1.192 1.758) 2.151 5.902 ( -0.881 -0.767 2.037) 2.348 5.952 ( -0.735 -0.357 -0.465) 0.940 6.708 ( 1.151 0.488 -2.788) 3.055 7.028 ( 7.103 -3.286 2.859) 8.332 7.060 ( 0.989 -3.929 1.879) 4.466 7.365 ( 11.047 6.194 4.590) 13.471 7.955 ( -10.302 -4.595 -10.767) 15.595 8.067 ( 3.471 -0.619 3.622) 5.054 8.447 ( -1.518 4.838 -0.202) 5.075 8.664 ( -0.283 0.158 -2.207) 2.231 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -5.331 -0.869 13.152) 14.218 0.854 ( 1.557 5.372 14.799) 15.820 1.124 ( 1.459 3.984 10.329) 11.166 1.265 ( -1.626 -2.128 1.614) 3.126 1.411 ( 5.417 6.340 0.988) 8.397 1.689 ( 1.244 2.312 -5.863) 6.424 1.847 ( 0.475 -0.902 1.514) 1.825 1.961 ( 2.984 -1.507 -0.758) 3.428 2.077 ( -1.064 0.421 2.488) 2.738 2.143 ( 5.574 5.287 -4.882) 9.103 2.195 ( -3.350 1.319 1.604) 3.942 2.416 ( -1.338 0.881 -4.244) 4.537 2.585 ( -1.492 1.129 3.264) 3.762 2.861 ( -0.596 0.760 -1.616) 1.882 2.966 ( -7.489 6.281 5.668) 11.298 3.056 ( -1.040 8.078 -1.801) 8.342 3.474 ( -2.480 -8.094 -5.891) 10.314 3.608 ( -5.687 -1.881 -9.957) 11.620 4.253 ( 0.287 -2.112 0.811) 2.280 4.368 ( 0.038 1.097 -2.774) 2.984 4.498 ( 2.782 -0.283 -4.941) 5.678 4.534 ( -1.751 -5.329 -2.867) 6.299 5.502 ( 4.341 -2.141 4.426) 6.559 5.558 ( 4.781 1.076 6.064) 7.797 5.787 ( -1.995 -0.566 -0.225) 2.086 5.876 ( -0.755 0.821 0.415) 1.190 5.902 ( 0.451 -0.698 2.149) 2.304 5.939 ( 0.088 0.626 0.219) 0.669 6.740 ( 1.968 -2.233 0.180) 2.982 7.075 ( 0.234 -3.212 1.450) 3.532 7.105 ( 0.965 -2.394 1.179) 2.838 7.591 ( -8.553 -2.876 -11.569) 14.672 7.779 ( 13.071 -1.374 4.933) 14.039 8.114 ( -1.423 -2.275 5.323) 5.961 8.468 ( 4.783 9.918 -0.648) 11.030 8.664 ( 0.348 1.099 -1.968) 2.281 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 4.165 7.736 6.154) 10.727 0.986 ( 1.086 4.906 11.785) 12.812 1.214 ( 1.901 -2.417 -0.334) 3.093 1.227 ( 0.631 1.876 10.665) 10.847 1.627 ( -1.429 -0.066 -0.819) 1.648 1.722 ( 6.370 5.351 -0.750) 8.353 1.890 ( 1.394 0.848 1.508) 2.222 1.999 ( -1.829 0.980 4.855) 5.279 2.077 ( -1.683 2.306 3.500) 4.517 2.252 ( 4.901 6.009 4.944) 9.196 2.291 ( 1.777 -0.966 0.935) 2.228 2.483 ( 0.454 4.793 -13.189) 14.040 2.608 ( 0.904 4.038 -0.581) 4.179 2.891 ( -0.084 1.155 -1.840) 2.174 2.974 ( -8.316 12.945 4.796) 16.116 3.115 ( -4.769 -6.071 -3.767) 8.590 3.331 ( 0.788 -1.339 -5.801) 6.005 3.422 ( -3.717 -0.574 -8.798) 9.568 4.147 ( -4.020 -6.999 3.373) 8.748 4.292 ( -0.599 -3.317 0.446) 3.400 4.386 ( -1.276 -5.284 -2.386) 5.937 4.586 ( 2.843 1.636 -9.390) 9.947 5.509 ( 1.909 -2.921 1.958) 4.001 5.666 ( 1.497 0.657 3.296) 3.680 5.776 ( 3.088 -0.071 3.480) 4.653 5.861 ( -0.126 -0.645 2.152) 2.250 5.897 ( 0.300 0.678 -0.231) 0.777 6.028 ( 3.370 3.133 0.707) 4.655 6.616 ( -4.282 -6.961 7.558) 11.132 7.004 ( -0.588 -0.964 -3.409) 3.591 7.131 ( 0.475 1.154 2.008) 2.365 7.353 ( -9.931 2.396 -6.021) 11.858 7.947 ( -6.704 -4.005 1.175) 7.897 8.007 ( 13.086 -5.433 2.954) 14.474 8.698 ( -1.181 3.389 -2.664) 4.469 8.759 ( 6.559 2.524 -4.170) 8.172 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 6.781 6.040 2.609) 9.448 0.999 ( -0.589 9.930 10.756) 14.651 1.244 ( 0.217 0.883 8.732) 8.779 1.279 ( 4.499 -2.526 2.174) 5.599 1.591 ( -0.608 -1.769 -4.178) 4.577 1.814 ( 0.805 8.235 -2.363) 8.605 1.905 ( -0.006 -0.535 -0.545) 0.764 1.957 ( -1.936 -4.096 7.007) 8.344 2.045 ( -1.074 -2.094 2.030) 3.108 2.304 ( -0.261 -3.156 1.531) 3.518 2.415 ( 7.836 4.731 4.085) 10.024 2.466 ( -0.104 6.098 -9.705) 11.463 2.596 ( -1.341 8.765 -3.824) 9.657 2.815 ( -5.735 7.223 -2.556) 9.571 2.895 ( -2.092 -3.029 4.366) 5.711 3.029 ( -1.913 -2.208 -3.663) 4.685 3.259 ( -3.654 -5.109 -4.938) 7.990 3.451 ( 2.310 2.744 -0.386) 3.608 4.102 ( 0.091 -5.116 0.424) 5.134 4.282 ( -0.604 -0.806 2.224) 2.441 4.363 ( -0.902 -4.785 -3.325) 5.896 4.612 ( 0.396 1.151 -6.367) 6.483 5.544 ( 1.316 -3.218 2.468) 4.264 5.655 ( -1.670 0.201 -2.346) 2.887 5.837 ( 0.960 0.721 2.047) 2.373 5.869 ( 0.582 -0.441 4.026) 4.091 5.943 ( 4.396 2.322 1.820) 5.294 6.087 ( 2.763 3.478 -1.266) 4.619 6.526 ( -5.228 -6.002 8.549) 11.681 6.964 ( -2.768 -0.509 -4.238) 5.088 7.136 ( -0.245 1.483 2.916) 3.280 7.211 ( -3.941 2.423 -1.477) 4.857 7.813 ( -6.160 -2.293 -0.629) 6.603 8.230 ( 8.865 -7.003 1.851) 11.448 8.645 ( -3.769 3.003 -4.352) 6.493 8.834 ( 1.252 -0.920 -4.617) 4.872 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.160 6.624 7.568) 10.059 1.050 ( 5.861 6.053 1.288) 8.524 1.240 ( -1.350 1.098 6.415) 6.647 1.377 ( 4.482 0.152 1.853) 4.853 1.591 ( 0.027 -1.215 -4.283) 4.452 1.787 ( -1.758 4.178 -2.078) 4.987 1.882 ( -2.533 -2.892 -0.602) 3.891 1.937 ( -0.230 -6.049 6.551) 8.920 2.025 ( -1.210 -2.738 -3.494) 4.601 2.302 ( 0.456 -4.061 1.256) 4.275 2.382 ( -8.370 3.618 -5.161) 10.477 2.472 ( 0.554 3.921 -11.530) 12.191 2.641 ( 1.118 2.625 -4.573) 5.390 2.765 ( 1.751 6.099 7.446) 9.783 2.834 ( -2.141 -3.866 -2.749) 5.205 3.054 ( 4.055 2.758 4.899) 6.932 3.249 ( 2.839 -3.093 -1.142) 4.352 3.446 ( -2.457 -3.760 5.450) 7.062 4.152 ( 3.844 -0.493 -2.434) 4.576 4.278 ( 0.583 1.875 2.995) 3.581 4.345 ( -0.692 -3.743 -2.647) 4.637 4.592 ( -1.898 1.426 -2.909) 3.755 5.551 ( -1.501 -1.177 0.108) 1.911 5.618 ( -1.080 -1.526 0.062) 1.870 5.844 ( 0.081 0.707 1.365) 1.539 5.882 ( 0.191 0.268 3.655) 3.669 5.998 ( 0.266 3.844 1.645) 4.189 6.139 ( 1.628 1.829 -1.341) 2.791 6.462 ( -0.454 -2.610 4.313) 5.061 6.894 ( -3.986 -2.329 -3.498) 5.792 7.126 ( -0.846 1.830 3.008) 3.620 7.178 ( -0.108 1.480 0.733) 1.655 7.725 ( -2.327 0.330 -1.017) 2.561 8.360 ( 3.988 -5.774 2.399) 7.416 8.552 ( -4.447 0.823 -6.763) 8.136 8.812 ( -2.637 -2.428 -4.013) 5.381 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.630 3.494 5.689) 6.706 1.137 ( 0.910 1.092 1.599) 2.139 1.207 ( -1.941 1.761 2.782) 3.821 1.443 ( 1.576 -0.149 0.379) 1.628 1.565 ( -0.879 2.179 -3.029) 3.834 1.751 ( -3.541 -0.011 -6.633) 7.518 1.811 ( -3.097 1.870 0.180) 3.623 1.942 ( -0.310 -7.194 3.289) 7.916 2.031 ( 2.551 -3.450 -3.651) 5.634 2.174 ( -11.044 0.844 -2.551) 11.366 2.332 ( 2.485 -3.355 1.939) 4.604 2.468 ( -0.290 -1.471 -9.303) 9.423 2.605 ( -1.968 -2.155 -7.662) 8.199 2.800 ( 0.350 2.408 6.652) 7.083 2.839 ( 2.574 0.184 -6.923) 7.388 3.186 ( 4.836 4.476 5.504) 8.586 3.312 ( 4.032 -4.625 2.559) 6.648 3.440 ( 3.041 -2.250 10.548) 11.206 4.189 ( 0.150 -0.373 0.446) 0.601 4.321 ( 0.071 0.592 -1.357) 1.482 4.351 ( 4.436 1.568 0.461) 4.727 4.539 ( -2.966 2.535 -0.871) 3.998 5.488 ( -3.880 0.446 -2.423) 4.596 5.614 ( -0.258 -2.390 3.676) 4.392 5.847 ( -0.087 0.068 1.766) 1.770 5.878 ( -0.878 1.592 3.202) 3.682 5.982 ( -1.151 2.697 -0.706) 3.016 6.112 ( -3.783 0.455 1.992) 4.300 6.534 ( 6.615 -0.258 -1.059) 6.704 6.807 ( -4.121 -2.599 -3.984) 6.294 7.107 ( -1.621 1.505 3.476) 4.120 7.192 ( 1.549 1.633 -0.065) 2.252 7.725 ( 2.121 1.672 0.767) 2.808 8.355 ( -4.624 -2.031 -0.938) 5.137 8.513 ( 1.409 -3.492 -4.934) 6.206 8.742 ( -3.746 -2.412 -3.260) 5.521 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.348 -0.640 1.826) 2.358 1.086 ( -4.572 2.576 4.747) 7.076 1.142 ( -5.912 -3.074 3.509) 7.531 1.448 ( -0.385 -1.658 -2.342) 2.895 1.578 ( -1.869 5.186 -5.951) 8.112 1.632 ( -2.384 3.010 -8.403) 9.239 1.790 ( 0.118 3.655 3.733) 5.226 1.929 ( -0.783 -5.156 0.325) 5.225 1.968 ( -7.778 -1.020 2.748) 8.312 2.110 ( 3.880 -3.609 -3.584) 6.397 2.382 ( 1.411 -0.883 1.999) 2.601 2.442 ( -1.418 -3.339 -7.081) 7.956 2.582 ( 0.424 -3.811 -5.176) 6.441 2.815 ( 0.888 -0.171 1.204) 1.505 2.912 ( 5.472 -2.821 -4.115) 7.405 3.177 ( -2.321 -1.458 -3.609) 4.532 3.459 ( 6.724 3.831 9.582) 12.316 3.542 ( 5.156 -1.187 9.153) 10.572 4.191 ( 0.333 -0.259 0.660) 0.783 4.310 ( -0.495 -1.121 0.080) 1.228 4.446 ( 3.636 3.020 0.795) 4.793 4.488 ( -1.536 3.382 -1.253) 3.920 5.417 ( -2.681 0.909 -0.372) 2.855 5.597 ( -1.877 -0.783 1.775) 2.700 5.834 ( -1.292 0.488 3.470) 3.735 5.870 ( 0.117 0.874 1.670) 1.889 5.965 ( -0.627 0.597 -0.960) 1.293 6.025 ( -4.699 -0.186 2.879) 5.514 6.676 ( 6.815 0.189 -1.924) 7.084 6.743 ( -1.125 -1.202 -5.087) 5.346 7.069 ( -2.246 0.695 2.789) 3.647 7.241 ( 3.308 2.698 -0.128) 4.271 7.796 ( 4.638 0.858 3.573) 5.917 8.233 ( -6.824 -3.541 -5.572) 9.495 8.546 ( 1.486 -1.058 -2.056) 2.749 8.672 ( -2.750 -2.306 -2.862) 4.590 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -7.288 -2.607 6.045) 9.821 0.991 ( -4.332 6.567 5.027) 9.336 1.076 ( 0.879 -3.930 1.532) 4.308 1.384 ( -5.988 -2.593 -3.513) 7.411 1.474 ( -3.076 6.244 -4.207) 8.133 1.695 ( 5.137 5.018 -4.885) 8.685 1.816 ( 0.518 0.937 4.693) 4.813 1.862 ( -1.458 2.609 4.383) 5.305 1.951 ( 2.584 -4.284 -1.374) 5.188 2.157 ( 0.585 -1.250 -0.673) 1.536 2.382 ( -1.119 0.367 0.935) 1.503 2.414 ( -0.138 -1.798 -7.426) 7.642 2.599 ( 0.834 -2.207 -1.407) 2.747 2.834 ( 1.262 -1.455 -4.453) 4.852 3.040 ( 6.568 -6.351 0.231) 9.139 3.141 ( -0.351 -0.978 -4.207) 4.334 3.520 ( -1.455 7.378 6.293) 9.805 3.636 ( 2.921 -2.158 4.367) 5.680 4.209 ( 1.486 -0.398 -0.785) 1.727 4.306 ( -0.046 -2.581 0.780) 2.697 4.456 ( -0.005 3.701 -2.138) 4.274 4.509 ( 0.942 0.380 0.254) 1.047 5.393 ( 0.237 1.820 3.984) 4.387 5.549 ( -2.584 0.514 -1.226) 2.906 5.818 ( -0.595 -0.253 4.515) 4.561 5.878 ( 0.442 0.107 1.454) 1.523 5.938 ( -3.590 -0.312 2.261) 4.254 5.955 ( -0.956 -0.754 -0.093) 1.221 6.719 ( 0.804 1.039 -5.155) 5.320 6.823 ( 5.963 -1.577 -0.820) 6.222 7.037 ( -0.738 0.000 1.956) 2.091 7.323 ( 5.129 3.738 0.977) 6.422 7.908 ( 5.972 -0.475 5.913) 8.418 8.079 ( -8.191 -4.974 -7.991) 12.478 8.549 ( -1.084 2.699 -2.499) 3.835 8.645 ( 0.533 -2.176 -2.108) 3.076 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -6.744 1.146 9.772) 11.929 0.943 ( -1.240 8.190 7.651) 11.276 1.111 ( 2.070 -2.929 1.248) 3.798 1.279 ( -3.654 -2.190 1.377) 4.477 1.456 ( 1.479 6.065 -0.874) 6.303 1.753 ( 0.139 4.269 -3.858) 5.756 1.837 ( 2.504 -1.453 1.254) 3.154 1.888 ( 2.311 3.925 6.638) 8.051 2.023 ( 3.568 -3.827 -0.472) 5.254 2.158 ( 1.124 4.626 1.326) 4.941 2.344 ( -2.768 3.784 0.362) 4.703 2.433 ( 2.145 -0.351 -9.440) 9.687 2.594 ( -1.020 -0.941 0.853) 1.628 2.860 ( 1.793 -0.615 -5.901) 6.198 3.096 ( 0.134 2.671 1.560) 3.096 3.204 ( 5.040 -9.706 -3.431) 11.462 3.429 ( -7.452 8.187 3.273) 11.545 3.644 ( -2.187 -2.093 -3.060) 4.304 4.240 ( 1.222 0.234 -0.838) 1.500 4.301 ( -0.484 -5.699 -0.469) 5.738 4.467 ( 0.579 0.619 -3.658) 3.755 4.497 ( -1.096 -0.721 -1.329) 1.868 5.429 ( 2.275 2.102 7.000) 7.655 5.518 ( 0.300 0.161 0.529) 0.629 5.808 ( -1.256 -0.776 2.685) 3.064 5.878 ( -1.314 -1.772 1.800) 2.847 5.895 ( 0.327 1.171 1.723) 2.109 5.943 ( -0.326 -0.511 0.360) 0.705 6.723 ( -0.768 1.028 -2.301) 2.635 6.922 ( 4.160 -4.904 -0.357) 6.441 7.058 ( 2.466 0.597 1.432) 2.913 7.455 ( 8.336 3.341 1.925) 9.184 7.878 ( -10.051 -3.381 -8.231) 13.424 8.035 ( 4.016 -2.270 6.310) 7.816 8.532 ( 0.966 3.565 -3.951) 5.409 8.671 ( 1.760 0.680 -1.416) 2.359 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -1.609 5.868 9.410) 11.206 0.951 ( 1.008 4.496 9.886) 10.907 1.163 ( 2.809 -0.325 4.671) 5.461 1.234 ( -1.603 -0.806 4.316) 4.674 1.535 ( 6.355 6.237 1.612) 9.049 1.724 ( -2.622 -0.165 -2.731) 3.790 1.860 ( 0.988 0.387 2.403) 2.627 1.973 ( 3.981 4.293 3.579) 6.862 2.065 ( 1.495 0.327 3.378) 3.709 2.225 ( 3.886 3.529 0.462) 5.270 2.270 ( -4.028 5.362 1.700) 6.919 2.465 ( 2.024 3.358 -12.902) 13.484 2.587 ( 0.514 0.165 2.003) 2.075 2.885 ( 0.990 1.272 -4.664) 4.934 3.088 ( -2.115 3.271 4.796) 6.178 3.223 ( -5.523 8.427 -0.755) 10.104 3.308 ( -0.641 -7.266 -5.210) 8.964 3.553 ( -6.166 -2.367 -8.829) 11.026 4.222 ( -3.089 -2.046 1.757) 4.101 4.300 ( 0.134 -6.554 -0.908) 6.618 4.426 ( -2.749 -5.569 -0.268) 6.216 4.528 ( 3.385 2.536 -9.145) 10.075 5.470 ( 1.689 -1.025 2.726) 3.366 5.580 ( 4.841 1.223 8.166) 9.571 5.773 ( -1.772 -0.784 0.192) 1.947 5.865 ( -0.369 -1.449 1.645) 2.223 5.901 ( -0.263 0.124 0.259) 0.390 5.963 ( 2.554 1.785 1.712) 3.555 6.683 ( -2.993 -3.382 2.963) 5.401 6.988 ( 2.374 -3.408 -1.785) 4.520 7.108 ( 1.917 0.725 1.512) 2.547 7.562 ( -6.094 -0.504 -8.066) 10.122 7.759 ( 7.169 -0.822 2.694) 7.702 8.051 ( -3.117 -3.748 4.040) 6.331 8.613 ( 7.198 4.483 -3.563) 9.198 8.700 ( 0.991 2.781 -1.740) 3.427 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 3.439 4.608 3.365) 6.663 1.054 ( 3.194 3.513 7.359) 8.757 1.144 ( 3.319 -4.933 -0.351) 5.956 1.270 ( -0.447 1.840 12.265) 12.410 1.614 ( -3.527 -0.576 -1.035) 3.721 1.800 ( 8.568 2.160 -2.401) 9.156 1.868 ( 2.786 -1.431 9.062) 9.588 2.073 ( -5.048 3.720 6.071) 8.728 2.133 ( -4.590 3.695 1.705) 6.134 2.241 ( -0.359 -3.630 1.284) 3.867 2.367 ( 3.638 4.395 1.193) 5.829 2.516 ( 2.217 -0.329 -2.109) 3.078 2.740 ( 2.663 8.927 -9.458) 13.276 2.915 ( 1.915 -1.884 -6.201) 6.758 2.966 ( -3.862 -5.124 -1.818) 6.669 3.169 ( -10.023 2.444 -6.423) 12.153 3.252 ( -5.333 -0.333 1.125) 5.461 3.492 ( 1.675 3.691 -3.828) 5.575 4.008 ( -4.113 -5.754 3.899) 8.077 4.251 ( 0.248 -1.113 -1.221) 1.670 4.296 ( -0.755 -3.232 0.092) 3.320 4.609 ( 2.261 0.641 -11.514) 11.751 5.472 ( 1.102 -0.955 1.740) 2.271 5.679 ( 0.629 0.513 2.047) 2.202 5.774 ( 4.162 -0.048 6.709) 7.895 5.849 ( 0.354 -0.486 1.761) 1.860 5.908 ( 1.215 0.358 0.029) 1.267 6.073 ( 4.004 1.402 1.104) 4.384 6.524 ( -5.244 -2.552 7.395) 9.418 6.993 ( 0.312 -0.291 -4.545) 4.565 7.148 ( 0.753 0.500 2.220) 2.397 7.379 ( -8.986 0.609 -5.758) 10.690 7.889 ( -6.019 -1.703 0.213) 6.259 7.942 ( 10.637 -1.685 2.295) 11.012 8.750 ( 0.228 2.208 -2.590) 3.411 8.777 ( 3.182 -0.458 -3.261) 4.580 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.971 2.708 0.995) 4.909 1.147 ( 4.618 5.312 8.779) 11.252 1.233 ( 5.320 -2.469 1.681) 6.101 1.266 ( -0.655 0.886 10.093) 10.153 1.566 ( -0.772 -0.833 -3.639) 3.812 1.877 ( -0.534 -0.871 1.733) 2.012 1.934 ( -7.292 1.878 5.298) 9.207 1.962 ( 2.614 4.497 -0.342) 5.213 2.004 ( -5.715 -2.113 2.535) 6.599 2.226 ( -1.395 -3.733 1.918) 4.422 2.483 ( 5.915 2.011 -0.416) 6.261 2.560 ( 1.618 3.354 -3.428) 5.061 2.742 ( -1.889 1.304 -3.743) 4.391 2.821 ( -9.427 2.370 -9.019) 13.261 2.896 ( -2.798 1.435 -3.392) 4.625 3.074 ( 2.725 -0.746 -4.345) 5.183 3.153 ( -3.847 -1.305 2.385) 4.710 3.477 ( -4.303 -0.062 3.102) 5.304 4.034 ( 5.960 -1.744 0.239) 6.215 4.260 ( 0.789 -2.142 -1.198) 2.578 4.285 ( -0.376 -1.538 1.884) 2.461 4.625 ( 0.336 0.293 -9.421) 9.432 5.502 ( 1.631 -1.116 2.979) 3.574 5.661 ( -1.905 0.264 -3.352) 3.865 5.850 ( 0.964 0.605 2.716) 2.945 5.861 ( 1.224 -0.480 4.550) 4.737 5.979 ( 5.803 1.166 2.938) 6.608 6.136 ( 2.007 1.461 -0.635) 2.562 6.442 ( -3.548 -2.486 7.997) 9.095 6.953 ( -3.655 -0.460 -5.992) 7.034 7.157 ( 0.013 0.654 3.340) 3.403 7.240 ( -4.303 0.724 -2.261) 4.914 7.781 ( -4.347 -0.936 -0.860) 4.529 8.133 ( 8.214 -2.780 1.420) 8.787 8.693 ( -4.820 1.731 -4.870) 7.067 8.813 ( 0.049 -0.971 -2.133) 2.344 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 2.227 1.729 1.969) 3.439 1.195 ( -0.592 7.263 5.324) 9.025 1.264 ( -0.401 1.809 6.715) 6.966 1.349 ( 4.831 -3.697 5.297) 8.066 1.579 ( 2.238 -0.096 -5.875) 6.288 1.809 ( -4.745 -0.611 1.233) 4.940 1.828 ( -4.541 -2.314 6.686) 8.407 1.872 ( -2.738 -1.255 3.353) 4.507 2.037 ( 1.410 3.262 -8.534) 9.244 2.206 ( -0.385 -4.951 1.162) 5.100 2.451 ( -9.148 3.269 -9.295) 13.445 2.499 ( -6.346 -1.202 -10.394) 12.237 2.681 ( -0.781 2.435 -5.232) 5.824 2.769 ( 1.845 -3.094 1.012) 3.742 2.885 ( -0.380 5.511 1.247) 5.663 3.119 ( 4.665 2.757 9.214) 10.689 3.165 ( 2.449 -4.789 -5.939) 8.012 3.391 ( -2.460 -1.399 7.694) 8.198 4.156 ( 4.129 0.491 -0.079) 4.159 4.274 ( 0.568 -2.697 -1.361) 3.074 4.308 ( 3.484 0.966 3.371) 4.943 4.610 ( -1.141 0.412 -5.387) 5.521 5.535 ( 1.165 -0.439 3.924) 4.116 5.601 ( -3.590 -0.376 -3.660) 5.140 5.854 ( -0.163 0.284 1.339) 1.378 5.887 ( 0.803 0.171 3.803) 3.891 6.066 ( 0.989 2.772 5.178) 5.956 6.148 ( -0.774 -0.636 -1.561) 1.854 6.425 ( 2.286 -1.050 2.340) 3.435 6.860 ( -4.656 -1.046 -6.041) 7.698 7.153 ( -0.864 0.842 4.312) 4.477 7.198 ( -0.286 0.568 -0.831) 1.047 7.731 ( -0.517 0.250 -0.937) 1.099 8.268 ( 5.450 -3.019 1.952) 6.529 8.563 ( -7.481 0.283 -6.652) 10.015 8.784 ( -2.423 -0.619 -1.791) 3.076 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -1.697 3.534 4.641) 6.076 1.162 ( -2.924 1.276 3.822) 4.978 1.226 ( -4.264 0.344 4.244) 6.026 1.404 ( 1.104 -2.418 2.920) 3.949 1.625 ( 2.744 2.512 -6.669) 7.637 1.737 ( -2.820 -0.645 -1.225) 3.141 1.809 ( 1.067 -1.382 6.983) 7.197 1.837 ( -1.356 -3.164 1.604) 3.797 2.035 ( 0.054 3.124 -9.261) 9.774 2.180 ( -6.685 -2.205 -6.051) 9.283 2.272 ( -1.245 -0.465 -1.111) 1.732 2.395 ( -3.704 -4.218 -6.796) 8.814 2.640 ( -2.772 4.039 -8.242) 9.588 2.792 ( 0.345 -3.847 -5.367) 6.612 2.857 ( -1.405 2.234 3.399) 4.304 3.164 ( -0.589 -3.190 -3.755) 4.962 3.312 ( 11.128 1.982 13.304) 17.458 3.435 ( 4.961 0.580 7.751) 9.221 4.182 ( -0.396 -0.329 2.404) 2.459 4.286 ( 0.639 -1.503 -0.272) 1.656 4.411 ( 5.368 2.144 1.775) 6.046 4.576 ( -1.841 1.037 -1.966) 2.886 5.503 ( -4.069 0.951 -2.539) 4.889 5.572 ( 0.531 -1.696 4.939) 5.249 5.849 ( -0.389 0.133 1.479) 1.535 5.899 ( 0.049 0.565 3.273) 3.322 6.038 ( -3.060 2.932 2.747) 5.050 6.095 ( -4.157 -1.953 0.458) 4.616 6.533 ( 7.541 0.019 -2.806) 8.046 6.772 ( -3.458 -1.003 -5.988) 6.987 7.126 ( -2.251 0.529 4.166) 4.765 7.217 ( 2.186 0.794 -0.960) 2.516 7.754 ( 2.444 1.051 0.124) 2.664 8.327 ( -3.080 -0.904 1.233) 3.438 8.436 ( -0.805 -2.942 -6.050) 6.776 8.726 ( -3.104 -0.006 -2.019) 3.703 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -2.675 1.189 3.899) 4.876 1.072 ( -6.187 -2.631 5.541) 8.712 1.145 ( -3.026 1.995 4.586) 5.845 1.410 ( -1.629 -1.646 -3.502) 4.199 1.656 ( -4.731 2.272 -0.110) 5.249 1.680 ( 3.323 2.050 -6.215) 7.340 1.829 ( 0.442 -1.782 3.410) 3.873 1.843 ( 1.486 -0.738 0.784) 1.835 2.015 ( -5.320 3.889 -2.475) 7.040 2.059 ( 2.111 -1.164 -6.787) 7.202 2.323 ( -0.688 -3.118 0.125) 3.196 2.353 ( 3.773 -5.300 -0.979) 6.579 2.580 ( -1.953 2.763 -9.664) 10.239 2.780 ( -0.291 -4.323 -8.660) 9.684 2.865 ( 1.689 -0.014 3.706) 4.073 3.161 ( 0.312 -0.490 -4.338) 4.377 3.517 ( 7.646 2.225 11.232) 13.769 3.555 ( 5.730 0.732 7.404) 9.391 4.175 ( -0.165 -0.779 2.217) 2.355 4.293 ( -0.069 -0.496 0.421) 0.654 4.492 ( 2.305 1.437 1.853) 3.288 4.539 ( -1.522 1.592 -0.548) 2.269 5.434 ( -2.309 0.637 -0.192) 2.403 5.578 ( -0.568 -0.799 4.047) 4.164 5.842 ( -0.601 0.223 1.670) 1.789 5.893 ( -0.880 1.074 3.402) 3.675 5.978 ( -2.746 1.000 -0.276) 2.935 6.005 ( -4.624 -1.658 1.949) 5.285 6.683 ( 7.167 0.367 -3.527) 7.996 6.726 ( -0.211 -0.608 -6.605) 6.637 7.078 ( -2.740 0.233 3.016) 4.081 7.278 ( 3.977 1.105 -0.457) 4.153 7.814 ( 3.503 0.771 2.343) 4.284 8.180 ( -8.500 -1.731 -4.926) 9.976 8.502 ( 4.745 -1.981 -0.066) 5.142 8.663 ( -3.015 0.312 -2.939) 4.222 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -4.578 0.285 4.339) 6.314 0.999 ( -1.064 -2.498 3.419) 4.365 1.120 ( -0.192 4.801 6.500) 8.083 1.316 ( -6.322 -3.649 -4.192) 8.417 1.566 ( -3.343 2.736 -0.448) 4.343 1.772 ( 5.167 3.166 -2.631) 6.607 1.827 ( -1.872 0.204 6.229) 6.508 1.874 ( 1.982 -4.060 -1.485) 4.755 1.968 ( 1.376 8.657 -0.047) 8.766 2.128 ( 4.357 -4.486 -1.920) 6.542 2.310 ( 1.158 -1.655 -2.836) 3.482 2.431 ( 1.994 -1.381 0.629) 2.506 2.575 ( 2.646 1.233 -7.500) 8.048 2.778 ( 1.161 -4.650 -10.876) 11.885 2.917 ( 2.986 -2.569 3.842) 5.502 3.159 ( -0.069 0.488 -4.391) 4.419 3.611 ( 0.476 2.367 6.227) 6.678 3.647 ( 2.741 1.561 5.016) 5.925 4.181 ( 0.554 -1.380 0.763) 1.671 4.285 ( -0.634 -0.137 0.348) 0.736 4.497 ( -1.882 0.329 1.703) 2.559 4.521 ( -0.370 1.052 -1.300) 1.713 5.423 ( 1.126 1.062 4.206) 4.482 5.551 ( -2.327 -0.155 0.288) 2.350 5.827 ( -0.965 0.879 2.435) 2.762 5.874 ( -1.453 -0.533 3.521) 3.846 5.930 ( -2.540 -0.236 1.846) 3.148 5.939 ( -1.288 -0.710 -0.070) 1.472 6.744 ( 2.893 1.248 -6.382) 7.118 6.795 ( 3.140 -1.262 -2.921) 4.470 7.039 ( -0.710 0.115 2.119) 2.238 7.371 ( 5.435 1.306 0.499) 5.612 7.901 ( 5.022 -0.161 5.301) 7.304 8.008 ( -8.427 -2.145 -5.989) 10.559 8.587 ( 1.505 1.371 -1.901) 2.785 8.612 ( 0.585 -1.271 -2.431) 2.805 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -2.455 3.929 4.141) 6.214 1.000 ( 0.425 -3.319 0.077) 3.347 1.122 ( -1.162 5.711 6.452) 8.694 1.229 ( -0.984 -3.577 5.146) 6.344 1.544 ( 1.471 2.648 0.674) 3.103 1.772 ( -3.261 -0.690 2.533) 4.187 1.815 ( -0.793 -0.828 3.193) 3.393 1.958 ( 6.240 -1.376 1.325) 6.526 2.045 ( 5.338 10.288 -0.752) 11.615 2.209 ( 3.438 -3.294 0.648) 4.805 2.355 ( 2.286 0.497 -1.519) 2.789 2.452 ( 1.268 -0.124 -3.437) 3.666 2.629 ( 2.449 6.415 -4.963) 8.472 2.812 ( 3.144 -6.251 -11.042) 13.072 2.980 ( 2.657 -5.992 3.754) 7.553 3.164 ( 1.669 0.363 -4.390) 4.711 3.548 ( -6.668 3.530 3.147) 8.175 3.656 ( -2.387 1.764 -0.515) 3.012 4.189 ( -0.295 -2.893 -0.024) 2.908 4.268 ( -1.097 0.408 -0.475) 1.263 4.420 ( -5.570 -2.436 1.839) 6.351 4.528 ( 1.427 1.280 -5.246) 5.585 5.473 ( 1.579 2.383 5.507) 6.205 5.510 ( 0.220 -1.203 2.103) 2.433 5.807 ( -1.895 0.778 2.279) 3.065 5.840 ( -1.091 -1.982 1.951) 2.988 5.909 ( -0.502 0.286 0.109) 0.588 5.937 ( 1.305 -0.059 2.675) 2.977 6.744 ( -4.112 0.990 -0.782) 4.301 6.855 ( 5.158 -2.049 -4.664) 7.250 7.067 ( 2.671 0.271 1.505) 3.078 7.495 ( 6.957 1.019 0.658) 7.062 7.833 ( -8.629 -1.299 -5.747) 10.448 8.000 ( 3.054 -1.108 6.110) 6.920 8.574 ( 1.341 0.984 -5.362) 5.614 8.685 ( 3.853 0.503 -0.576) 3.928 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.515 5.063 3.779) 6.339 1.011 ( 0.898 1.627 2.852) 3.404 1.109 ( 0.208 -3.505 2.778) 4.478 1.253 ( 1.141 1.560 11.548) 11.708 1.628 ( 6.294 3.175 2.209) 7.388 1.701 ( -3.564 -1.489 0.714) 3.928 1.817 ( 1.263 -2.503 5.331) 6.023 2.072 ( 4.055 1.665 4.437) 6.237 2.140 ( 3.369 8.153 -1.089) 8.888 2.249 ( 0.336 -2.035 1.430) 2.510 2.358 ( -1.490 3.290 0.147) 3.615 2.481 ( 1.651 -1.603 -2.294) 3.249 2.679 ( 3.586 10.075 -8.130) 13.434 2.867 ( 3.019 -5.690 -8.691) 10.818 3.009 ( -0.242 -5.844 2.056) 6.199 3.232 ( 4.627 -1.176 -6.079) 7.729 3.383 ( -9.467 5.720 3.471) 11.592 3.556 ( -6.562 1.354 -6.061) 9.034 4.130 ( -6.291 -4.622 2.506) 8.198 4.251 ( -0.252 0.323 -1.153) 1.224 4.326 ( -2.974 -4.179 0.371) 5.142 4.565 ( 2.768 1.078 -9.621) 10.070 5.462 ( -0.407 -0.034 0.467) 0.620 5.598 ( 5.352 0.555 10.736) 12.009 5.762 ( -1.975 -0.319 0.071) 2.002 5.840 ( 0.328 -0.894 1.827) 2.060 5.901 ( -0.175 -0.025 -0.043) 0.182 5.991 ( 3.687 0.909 2.546) 4.572 6.634 ( -6.211 -1.417 3.727) 7.381 6.951 ( 4.100 -0.808 -4.295) 5.992 7.119 ( 2.105 0.335 1.693) 2.722 7.559 ( -5.684 0.014 -6.970) 8.994 7.748 ( 5.729 -0.260 2.321) 6.187 7.994 ( -3.791 -1.770 2.829) 5.050 8.655 ( 6.382 0.807 -3.539) 7.342 8.746 ( 2.248 1.428 -1.874) 3.256 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -2.144 0.000 8.363) 8.633 0.926 ( -1.495 0.000 7.735) 7.878 1.310 ( 0.241 0.000 0.501) 0.556 1.359 ( 2.192 0.000 -3.566) 4.186 1.453 ( 5.858 0.000 3.009) 6.586 1.547 ( -2.710 0.000 -4.540) 5.287 1.821 ( -2.943 0.000 -3.927) 4.907 1.837 ( 4.445 0.000 -7.080) 8.360 2.121 ( -0.915 0.000 0.604) 1.097 2.141 ( 3.917 0.000 -1.120) 4.074 2.439 ( 8.067 0.000 20.929) 22.430 2.525 ( -1.039 0.000 5.112) 5.216 2.561 ( -1.811 0.000 1.929) 2.646 2.724 ( -10.381 0.000 -2.155) 10.602 2.943 ( 2.249 0.000 -0.902) 2.423 2.998 ( 7.762 0.000 -3.183) 8.389 3.219 ( -9.382 0.000 -4.757) 10.519 3.282 ( -0.692 0.000 -10.105) 10.128 4.292 ( -0.928 0.000 0.339) 0.988 4.305 ( 0.368 0.000 -0.491) 0.614 4.501 ( -3.722 0.000 0.018) 3.722 4.515 ( 3.287 0.000 -1.443) 3.590 5.635 ( 3.549 0.000 2.288) 4.223 5.684 ( -3.102 0.000 -2.146) 3.772 5.829 ( 2.805 0.000 2.199) 3.564 5.843 ( -0.690 0.000 0.158) 0.708 5.911 ( 1.539 0.000 1.024) 1.848 5.941 ( -1.469 0.000 -0.883) 1.714 6.904 ( 8.204 0.000 4.054) 9.151 7.019 ( -14.188 0.000 -6.454) 15.587 7.133 ( 0.638 0.000 1.368) 1.510 7.150 ( -1.172 0.000 -0.098) 1.176 8.145 ( -10.795 0.000 5.064) 11.924 8.266 ( 15.464 0.000 -6.054) 16.607 8.484 ( 2.157 0.000 5.135) 5.570 8.589 ( 0.161 0.000 -4.467) 4.470 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.618 0.000 8.739) 9.123 0.940 ( 1.972 0.000 9.265) 9.472 1.297 ( -1.179 0.000 -1.503) 1.911 1.354 ( -2.958 0.000 -5.136) 5.928 1.505 ( -0.401 0.000 -7.385) 7.396 1.555 ( 4.066 0.000 2.084) 4.569 1.772 ( -1.275 0.000 -5.894) 6.030 1.916 ( 3.892 0.000 -8.023) 8.917 2.094 ( -1.254 0.000 -2.322) 2.639 2.213 ( 3.535 0.000 -2.639) 4.412 2.489 ( -4.025 0.000 2.794) 4.900 2.490 ( -2.542 0.000 8.676) 9.041 2.588 ( -2.071 0.000 2.701) 3.403 2.703 ( 11.255 0.000 14.617) 18.448 2.944 ( -0.895 0.000 -7.360) 7.415 3.010 ( -6.876 0.000 -7.643) 10.281 3.212 ( 10.289 0.000 1.135) 10.352 3.322 ( 4.535 0.000 0.674) 4.585 4.266 ( -1.574 0.000 -0.348) 1.612 4.290 ( -1.794 0.000 0.362) 1.830 4.416 ( -4.610 0.000 1.363) 4.807 4.559 ( 1.000 0.000 -1.283) 1.627 5.610 ( -4.014 0.000 -2.933) 4.971 5.697 ( 2.250 0.000 2.184) 3.136 5.834 ( -0.304 0.000 -0.099) 0.320 5.868 ( 1.521 0.000 -0.484) 1.596 5.906 ( -1.688 0.000 -1.761) 2.439 5.973 ( 4.002 0.000 0.921) 4.107 6.762 ( -10.965 0.000 -0.304) 10.969 7.050 ( 3.762 0.000 6.643) 7.635 7.139 ( -0.290 0.000 1.872) 1.894 7.140 ( 1.710 0.000 1.626) 2.360 7.896 ( -13.236 0.000 0.890) 13.266 8.417 ( 0.535 0.000 -7.457) 7.476 8.531 ( 1.896 0.000 3.544) 4.019 8.634 ( 4.806 0.000 -8.556) 9.813 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 3.765 0.000 7.162) 8.091 1.008 ( 3.804 0.000 7.396) 8.317 1.260 ( -2.387 0.000 -1.288) 2.712 1.271 ( -3.495 0.000 -8.279) 8.986 1.489 ( -1.141 0.000 -8.663) 8.738 1.640 ( 4.708 0.000 1.486) 4.937 1.705 ( -6.073 0.000 -6.223) 8.695 1.988 ( 4.490 0.000 -9.670) 10.662 2.116 ( 4.249 0.000 -2.935) 5.164 2.256 ( 0.098 0.000 -3.548) 3.550 2.398 ( -3.737 0.000 4.301) 5.698 2.441 ( -2.977 0.000 7.637) 8.197 2.617 ( 2.830 0.000 0.836) 2.951 2.752 ( -6.147 0.000 -2.862) 6.780 2.934 ( 1.126 0.000 -2.056) 2.344 3.041 ( 8.919 0.000 10.573) 13.832 3.426 ( 10.459 0.000 -1.348) 10.545 3.430 ( 5.566 0.000 5.316) 7.697 4.236 ( -1.175 0.000 -1.730) 2.091 4.243 ( -2.541 0.000 0.490) 2.588 4.332 ( -3.904 0.000 3.100) 4.985 4.545 ( -2.308 0.000 -1.320) 2.658 5.525 ( -4.205 0.000 -2.655) 4.973 5.701 ( -2.594 0.000 -1.597) 3.046 5.831 ( 0.411 0.000 0.112) 0.426 5.895 ( 1.210 0.000 -0.627) 1.363 5.896 ( 0.979 0.000 1.215) 1.560 6.050 ( 3.263 0.000 -1.688) 3.674 6.601 ( -5.035 0.000 2.816) 5.769 7.037 ( -3.681 0.000 2.803) 4.626 7.126 ( -1.074 0.000 2.343) 2.577 7.194 ( -0.212 0.000 5.031) 5.035 7.707 ( -3.488 0.000 0.000) 3.488 8.359 ( -4.399 0.000 -7.647) 8.822 8.561 ( 0.859 0.000 2.561) 2.701 8.696 ( 1.622 0.000 -9.489) 9.626 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 1.569 0.000 2.711) 3.132 1.083 ( 2.681 0.000 1.349) 3.002 1.207 ( -2.859 0.000 2.993) 4.139 1.237 ( 1.203 0.000 -8.130) 8.219 1.446 ( -1.992 0.000 -8.168) 8.407 1.523 ( -9.740 0.000 -6.303) 11.601 1.757 ( 5.747 0.000 4.451) 7.269 2.047 ( 0.101 0.000 -7.741) 7.742 2.203 ( 2.415 0.000 0.161) 2.420 2.226 ( -0.390 0.000 -1.604) 1.651 2.372 ( 0.147 0.000 2.116) 2.121 2.405 ( -0.291 0.000 3.783) 3.794 2.631 ( -4.641 0.000 -4.286) 6.317 2.639 ( -1.028 0.000 -3.518) 3.665 3.014 ( 6.954 0.000 5.607) 8.933 3.190 ( 3.838 0.000 7.982) 8.857 3.532 ( 3.669 0.000 6.156) 7.166 3.602 ( 7.127 0.000 -1.944) 7.388 4.209 ( -0.978 0.000 0.119) 0.985 4.221 ( -0.148 0.000 -2.656) 2.660 4.279 ( -1.113 0.000 4.103) 4.251 4.475 ( -4.214 0.000 -2.061) 4.690 5.450 ( -2.895 0.000 -0.697) 2.978 5.612 ( -5.215 0.000 -4.900) 7.156 5.849 ( 1.075 0.000 2.029) 2.297 5.911 ( 0.459 0.000 -1.013) 1.112 5.934 ( 2.334 0.000 2.849) 3.682 6.077 ( -0.580 0.000 -1.780) 1.872 6.583 ( 3.011 0.000 2.537) 3.937 6.912 ( -8.832 0.000 1.062) 8.896 7.105 ( -1.096 0.000 2.546) 2.772 7.154 ( -1.790 0.000 -0.464) 1.849 7.763 ( 6.730 0.000 5.579) 8.742 8.251 ( -5.668 0.000 -8.707) 10.389 8.569 ( -0.173 0.000 2.569) 2.575 8.690 ( -1.051 0.000 -7.759) 7.829 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -4.782 0.000 0.442) 4.802 1.082 ( 0.281 0.000 -0.809) 0.856 1.176 ( -0.356 0.000 3.563) 3.581 1.295 ( 4.482 0.000 -5.282) 6.927 1.365 ( -4.825 0.000 -1.162) 4.963 1.410 ( -0.739 0.000 -6.013) 6.058 1.858 ( 3.297 0.000 6.308) 7.118 1.969 ( -5.654 0.000 -3.789) 6.807 2.187 ( -2.525 0.000 3.503) 4.318 2.230 ( -1.631 0.000 2.710) 3.163 2.402 ( 2.670 0.000 -2.552) 3.694 2.430 ( 1.158 0.000 -0.854) 1.439 2.578 ( -0.402 0.000 -2.199) 2.236 2.605 ( -0.509 0.000 -4.366) 4.396 3.183 ( 8.487 0.000 3.868) 9.327 3.193 ( -3.617 0.000 2.633) 4.474 3.563 ( -1.491 0.000 6.539) 6.707 3.699 ( 2.918 0.000 -4.099) 5.031 4.185 ( -1.334 0.000 1.594) 2.078 4.223 ( 0.490 0.000 -2.453) 2.501 4.325 ( 5.014 0.000 1.808) 5.330 4.400 ( -2.478 0.000 -3.772) 4.513 5.424 ( 0.464 0.000 3.140) 3.174 5.514 ( -3.740 0.000 -4.564) 5.901 5.872 ( 0.968 0.000 1.934) 2.163 5.912 ( -0.217 0.000 -1.677) 1.691 5.979 ( 1.535 0.000 4.279) 4.546 6.034 ( -3.150 0.000 -0.425) 3.178 6.709 ( 8.976 0.000 1.460) 9.094 6.740 ( -7.406 0.000 -1.557) 7.568 7.095 ( 0.087 0.000 2.396) 2.397 7.142 ( 0.359 0.000 -1.813) 1.848 7.920 ( 7.811 0.000 7.805) 11.042 8.118 ( -7.201 0.000 -10.462) 12.700 8.561 ( -0.828 0.000 3.735) 3.825 8.656 ( -1.491 0.000 -5.189) 5.399 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -2.774 0.000 10.354) 10.719 1.082 ( -0.274 0.000 0.363) 0.455 1.165 ( -1.093 0.000 -2.613) 2.833 1.325 ( -0.242 0.000 3.476) 3.484 1.339 ( -0.485 0.000 -6.395) 6.413 1.449 ( 5.193 0.000 -0.261) 5.200 1.857 ( -4.773 0.000 -4.633) 6.652 1.875 ( -1.855 0.000 7.551) 7.775 2.153 ( -5.597 0.000 4.233) 7.018 2.165 ( 0.176 0.000 2.670) 2.676 2.426 ( -1.480 0.000 0.906) 1.735 2.447 ( 2.134 0.000 0.658) 2.233 2.588 ( 0.913 0.000 -0.601) 1.093 2.646 ( 4.662 0.000 -6.880) 8.311 3.081 ( -6.939 0.000 -0.331) 6.946 3.311 ( 3.040 0.000 -3.626) 4.731 3.486 ( -5.977 0.000 8.058) 10.033 3.698 ( -2.709 0.000 -7.873) 8.326 4.181 ( 1.151 0.000 0.978) 1.510 4.235 ( 1.094 0.000 -2.388) 2.627 4.379 ( 0.436 0.000 -4.382) 4.403 4.441 ( 5.817 0.000 0.495) 5.838 5.470 ( -0.312 0.000 -2.264) 2.285 5.476 ( 4.171 0.000 6.937) 8.094 5.887 ( 0.301 0.000 1.257) 1.292 5.897 ( -1.415 0.000 -1.847) 2.327 5.970 ( -2.887 0.000 -0.336) 2.906 5.996 ( -0.214 0.000 5.092) 5.097 6.642 ( -2.082 0.000 -2.832) 3.515 6.917 ( 10.813 0.000 0.964) 10.855 7.130 ( 4.343 0.000 1.986) 4.775 7.155 ( 0.934 0.000 -1.904) 2.121 7.944 ( -9.413 0.000 -11.467) 14.836 8.071 ( 6.704 0.000 7.863) 10.333 8.545 ( -1.294 0.000 5.694) 5.839 8.628 ( -0.915 0.000 -3.048) 3.182 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 2.246 0.000 14.923) 15.091 1.061 ( -2.494 0.000 3.267) 4.110 1.137 ( -0.004 0.000 -3.364) 3.364 1.313 ( -0.731 0.000 -5.605) 5.653 1.338 ( 0.900 0.000 5.494) 5.567 1.542 ( 3.106 0.000 2.841) 4.209 1.794 ( -0.917 0.000 -7.495) 7.551 1.844 ( -0.794 0.000 4.179) 4.254 2.060 ( -2.978 0.000 2.113) 3.652 2.168 ( -0.789 0.000 4.303) 4.375 2.379 ( -3.179 0.000 5.891) 6.694 2.494 ( 2.224 0.000 3.178) 3.879 2.609 ( 1.188 0.000 -0.961) 1.528 2.747 ( 5.728 0.000 -4.779) 7.460 2.948 ( -5.717 0.000 -1.254) 5.853 3.219 ( -10.817 0.000 -2.120) 11.023 3.418 ( -2.096 0.000 -2.626) 3.360 3.586 ( -7.365 0.000 -8.782) 11.462 4.226 ( 2.923 0.000 -0.627) 2.990 4.266 ( 1.988 0.000 -1.614) 2.560 4.398 ( 1.805 0.000 -3.155) 3.635 4.531 ( 2.924 0.000 -0.304) 2.940 5.494 ( 2.606 0.000 0.212) 2.614 5.586 ( 5.853 0.000 8.029) 9.935 5.847 ( -3.170 0.000 -0.713) 3.250 5.883 ( -0.773 0.000 0.511) 0.927 5.930 ( -1.254 0.000 -1.611) 2.042 5.984 ( -1.130 0.000 4.054) 4.209 6.653 ( 3.210 0.000 -2.169) 3.874 7.057 ( 3.518 0.000 0.418) 3.543 7.169 ( 0.457 0.000 -1.437) 1.508 7.323 ( 12.297 0.000 -3.886) 12.896 7.751 ( -6.716 0.000 -6.186) 9.130 8.196 ( 5.078 0.000 7.409) 8.982 8.515 ( -2.495 0.000 7.265) 7.682 8.612 ( -0.547 0.000 -2.332) 2.396 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -3.891 0.000 6.907) 7.928 0.986 ( -4.926 0.000 6.263) 7.968 1.235 ( 7.304 0.000 3.014) 7.901 1.317 ( 1.643 0.000 -4.011) 4.334 1.367 ( 1.850 0.000 5.426) 5.733 1.577 ( 0.339 0.000 -0.003) 0.339 1.787 ( 0.923 0.000 -8.059) 8.111 1.851 ( 0.385 0.000 -0.843) 0.927 2.066 ( 3.044 0.000 0.552) 3.093 2.142 ( -1.760 0.000 4.483) 4.816 2.342 ( -0.162 0.000 12.831) 12.832 2.527 ( 0.599 0.000 3.809) 3.855 2.608 ( -1.829 0.000 1.045) 2.107 2.857 ( 5.357 0.000 -0.952) 5.440 2.897 ( 1.649 0.000 -1.958) 2.559 2.969 ( -13.177 0.000 -0.423) 13.184 3.349 ( -3.875 0.000 -11.937) 12.550 3.412 ( -9.228 0.000 -7.391) 11.823 4.279 ( 2.227 0.000 -1.130) 2.497 4.295 ( 0.744 0.000 -0.174) 0.764 4.447 ( 3.329 0.000 -1.945) 3.855 4.550 ( -0.928 0.000 -0.565) 1.086 5.560 ( 3.714 0.000 1.660) 4.068 5.697 ( 3.568 0.000 4.209) 5.518 5.791 ( -1.479 0.000 1.265) 1.946 5.862 ( -1.189 0.000 0.042) 1.189 5.909 ( -0.743 0.000 -1.356) 1.546 5.965 ( -1.091 0.000 1.669) 1.994 6.752 ( 6.656 0.000 0.271) 6.662 7.105 ( 1.739 0.000 0.550) 1.824 7.168 ( -0.491 0.000 -0.702) 0.856 7.305 ( -11.799 0.000 -12.886) 17.471 7.899 ( 18.949 0.000 1.253) 18.991 8.261 ( -0.557 0.000 6.932) 6.954 8.468 ( -1.883 0.000 6.981) 7.231 8.600 ( -0.549 0.000 -2.894) 2.946 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.305 0.454 10.723) 10.737 1.027 ( -2.562 5.490 0.517) 6.080 1.297 ( 1.916 -0.203 4.041) 4.477 1.367 ( 1.130 1.067 3.628) 3.947 1.522 ( 4.505 5.698 -3.785) 8.191 1.562 ( -2.471 1.633 -3.413) 4.519 1.826 ( -1.448 1.795 -1.428) 2.712 1.889 ( 2.733 4.763 -8.161) 9.836 2.134 ( -0.123 1.727 2.512) 3.051 2.185 ( 2.938 3.697 -2.517) 5.352 2.416 ( -2.741 -5.192 8.642) 10.448 2.472 ( 8.851 0.277 13.787) 16.386 2.579 ( -1.238 0.255 0.475) 1.350 2.792 ( -10.097 4.511 -5.774) 12.476 2.935 ( 3.178 2.259 5.710) 6.914 3.090 ( 6.130 7.256 -4.941) 10.707 3.174 ( -8.297 -4.547 -4.036) 10.286 3.257 ( -1.478 -2.321 -9.472) 9.864 4.276 ( -1.058 -1.368 1.668) 2.402 4.310 ( -0.211 -0.082 -1.567) 1.583 4.456 ( -3.820 -4.466 0.375) 5.889 4.486 ( 4.005 -2.903 -2.467) 5.528 5.608 ( 3.301 -2.503 2.213) 4.697 5.660 ( -2.985 -1.925 -2.377) 4.274 5.837 ( 1.416 1.133 2.494) 3.084 5.868 ( -0.071 1.538 -0.573) 1.642 5.919 ( 1.514 1.018 2.553) 3.138 5.967 ( -0.237 2.475 -1.197) 2.760 6.865 ( 4.373 -4.003 4.837) 7.651 6.971 ( -7.709 -3.540 -4.635) 9.667 7.148 ( 1.282 1.447 1.859) 2.682 7.193 ( -3.883 3.149 -2.667) 5.666 8.090 ( -10.402 -5.147 3.667) 12.171 8.160 ( 13.591 -7.950 -2.236) 15.904 8.570 ( 0.586 5.981 1.188) 6.126 8.626 ( 2.218 3.327 -3.355) 5.219 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 3.713 1.157 8.845) 9.663 1.000 ( -0.196 5.223 3.886) 6.513 1.294 ( -1.535 0.712 0.390) 1.737 1.387 ( -1.151 2.327 -0.267) 2.610 1.502 ( -1.313 -0.169 -6.387) 6.523 1.592 ( 2.776 3.859 -1.657) 5.035 1.801 ( -1.423 2.596 -4.304) 5.224 1.977 ( 6.740 5.816 -7.557) 11.678 2.088 ( -3.745 0.527 -1.836) 4.204 2.242 ( 2.529 1.707 -2.310) 3.827 2.372 ( -2.384 -5.563 9.453) 11.225 2.521 ( -1.434 -5.122 -0.588) 5.351 2.574 ( -6.606 2.565 -0.063) 7.087 2.752 ( 8.480 3.806 11.629) 14.888 2.968 ( -2.113 0.805 -2.862) 3.647 3.010 ( -3.634 0.959 -1.090) 3.914 3.248 ( 7.908 1.073 -1.282) 8.083 3.303 ( 6.637 0.728 -1.309) 6.804 4.228 ( -3.247 -3.342 1.727) 4.969 4.304 ( -0.848 0.954 0.075) 1.278 4.385 ( -3.078 -3.320 0.009) 4.527 4.545 ( 1.802 -1.526 -1.859) 3.006 5.589 ( -3.652 -1.722 -2.876) 4.957 5.672 ( 2.585 -2.334 2.250) 4.147 5.849 ( 0.099 1.196 0.755) 1.418 5.880 ( 1.093 0.815 -0.623) 1.499 5.931 ( -1.254 2.759 -1.359) 3.321 5.991 ( 3.308 1.777 -0.410) 3.777 6.740 ( -9.565 -2.162 1.349) 9.899 7.000 ( 2.950 -4.486 4.430) 6.961 7.136 ( -1.864 1.257 -0.462) 2.295 7.186 ( 2.294 2.536 3.922) 5.203 7.865 ( -11.347 -2.842 0.409) 11.704 8.362 ( 6.900 -6.520 -4.317) 10.429 8.519 ( -3.725 1.701 -0.884) 4.189 8.692 ( 2.781 3.615 -5.542) 7.178 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 1.941 1.226 5.589) 6.042 1.043 ( 4.380 2.678 5.434) 7.476 1.249 ( -2.666 0.560 -0.863) 2.858 1.329 ( -3.309 4.251 -6.157) 8.181 1.480 ( -0.899 -0.727 -8.335) 8.414 1.667 ( 4.750 2.566 2.118) 5.799 1.731 ( -5.874 2.759 -6.470) 9.164 2.005 ( -1.469 -0.117 -6.038) 6.216 2.139 ( 7.858 3.873 -5.114) 10.144 2.271 ( 0.203 0.257 -3.187) 3.204 2.319 ( -3.874 -4.718 9.176) 11.021 2.455 ( -4.751 -0.513 -0.091) 4.780 2.528 ( 2.536 -7.863 0.627) 8.286 2.761 ( -5.644 0.431 -3.696) 6.760 2.943 ( -0.252 0.322 3.150) 3.177 3.093 ( 8.552 5.251 9.398) 13.749 3.378 ( 5.750 -4.804 4.329) 8.654 3.475 ( 8.787 3.791 -1.438) 9.677 4.176 ( -1.475 -3.495 1.549) 4.097 4.282 ( -1.060 2.514 0.316) 2.747 4.334 ( -2.224 -0.827 0.054) 2.373 4.547 ( -1.511 0.117 -1.079) 1.860 5.512 ( -3.707 -0.920 -2.500) 4.565 5.698 ( -0.873 -0.740 0.089) 1.148 5.848 ( -0.014 1.796 -0.521) 1.870 5.897 ( 0.398 0.195 0.566) 0.719 5.913 ( 0.464 1.725 -0.779) 1.949 6.060 ( 3.148 1.108 -2.527) 4.186 6.594 ( -4.848 -0.768 3.261) 5.893 6.990 ( -4.139 -5.198 3.458) 7.491 7.111 ( -0.597 0.263 -0.453) 0.795 7.227 ( -0.228 2.150 5.890) 6.274 7.709 ( -2.607 0.221 0.081) 2.618 8.375 ( -4.716 1.236 -7.703) 9.116 8.505 ( 2.519 -5.056 1.173) 5.769 8.709 ( -0.374 0.988 -6.492) 6.578 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 1.080 -0.564 5.171) 5.313 1.117 ( 1.649 2.116 -1.755) 3.206 1.207 ( -1.284 0.302 3.471) 3.713 1.281 ( 0.092 4.254 -8.732) 9.713 1.447 ( -1.559 0.200 -7.211) 7.380 1.564 ( -9.410 3.793 -5.663) 11.619 1.770 ( 4.980 1.347 4.352) 6.749 2.011 ( 1.100 -3.558 -6.612) 7.589 2.199 ( -3.267 -0.266 2.590) 4.177 2.254 ( 0.349 2.125 -2.324) 3.168 2.285 ( -0.922 -6.099 4.998) 7.939 2.403 ( 0.510 -2.431 -4.681) 5.300 2.580 ( 1.204 -4.324 0.984) 4.595 2.674 ( -1.700 2.084 -4.866) 5.559 2.966 ( 3.309 -3.411 6.044) 7.688 3.215 ( 1.564 1.066 3.625) 4.090 3.490 ( 5.135 -3.079 6.666) 8.960 3.613 ( 5.186 0.725 0.527) 5.263 4.190 ( 2.636 -0.426 0.267) 2.683 4.260 ( -1.813 3.802 2.131) 4.720 4.311 ( 0.878 1.474 -1.343) 2.179 4.488 ( -4.090 1.585 -0.931) 4.484 5.448 ( -2.327 0.011 -0.448) 2.369 5.630 ( -5.004 1.523 -4.447) 6.866 5.862 ( 1.145 1.271 1.575) 2.325 5.912 ( 0.741 -0.016 1.060) 1.294 5.932 ( 1.374 -0.162 1.126) 1.784 6.086 ( -0.660 0.921 -2.704) 2.932 6.574 ( 2.726 -0.933 2.416) 3.760 6.864 ( -8.008 -4.419 0.959) 9.196 7.112 ( 0.636 1.055 0.123) 1.238 7.184 ( -3.062 2.220 2.018) 4.287 7.764 ( 6.310 0.183 5.049) 8.083 8.251 ( -6.530 -0.070 -8.400) 10.640 8.548 ( 1.396 -2.452 1.399) 3.149 8.677 ( -1.905 -0.879 -5.742) 6.113 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.579 -1.450 2.646) 3.072 1.095 ( -2.086 2.317 -0.755) 3.208 1.193 ( -1.928 0.778 3.022) 3.668 1.320 ( 3.131 2.091 -7.022) 7.968 1.397 ( -4.752 3.393 -1.189) 5.958 1.430 ( 0.063 2.424 -4.757) 5.339 1.852 ( 2.324 -0.610 6.170) 6.621 1.970 ( -4.551 -0.248 -3.717) 5.882 2.159 ( -1.056 -2.682 3.322) 4.398 2.220 ( -3.054 -1.769 6.253) 7.180 2.294 ( 2.348 -6.050 -3.403) 7.327 2.423 ( 0.795 -3.005 -6.122) 6.866 2.581 ( -0.402 0.852 1.655) 1.905 2.673 ( 1.359 3.831 -5.995) 7.243 3.084 ( 6.308 -6.985 5.905) 11.111 3.176 ( -3.490 -4.309 -2.525) 6.093 3.569 ( 1.373 1.512 7.096) 7.384 3.680 ( 1.426 -1.338 -1.887) 2.718 4.212 ( -1.609 1.781 2.541) 3.496 4.260 ( 2.721 2.901 -2.152) 4.522 4.367 ( 2.987 4.282 0.325) 5.231 4.405 ( -2.371 1.065 -2.551) 3.642 5.433 ( 0.905 0.941 3.400) 3.642 5.529 ( -4.128 1.453 -4.772) 6.474 5.884 ( 0.791 0.970 1.741) 2.144 5.918 ( 0.061 0.734 -0.942) 1.196 5.963 ( 1.049 -1.312 4.679) 4.971 6.041 ( -3.101 0.513 -1.355) 3.423 6.688 ( 7.036 -1.982 0.907) 7.366 6.716 ( -5.093 -2.254 -1.745) 5.836 7.110 ( -1.530 1.394 2.779) 3.465 7.165 ( 1.952 2.109 -2.074) 3.544 7.915 ( 7.749 -0.444 7.532) 10.816 8.104 ( -7.665 -1.323 -9.830) 12.535 8.560 ( -0.424 -0.195 2.886) 2.923 8.638 ( -1.287 -1.710 -4.332) 4.831 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.760 4.113 9.782) 10.639 1.075 ( -1.233 0.715 2.464) 2.847 1.135 ( -2.245 -2.518 -1.877) 3.860 1.330 ( -0.682 0.029 -5.156) 5.201 1.350 ( -0.994 1.677 1.498) 2.458 1.503 ( 6.013 5.250 -0.550) 8.001 1.858 ( -3.482 0.822 -1.413) 3.847 1.884 ( -0.960 -0.031 3.521) 3.650 2.146 ( -4.576 -1.016 7.160) 8.558 2.167 ( 0.764 -0.027 2.304) 2.428 2.335 ( 0.935 -6.009 -0.323) 6.090 2.429 ( 0.618 -2.807 -3.996) 4.922 2.593 ( 1.701 1.275 1.554) 2.633 2.695 ( 1.332 1.347 -7.738) 7.967 3.055 ( -4.559 -1.680 -1.742) 5.162 3.243 ( 5.311 -6.735 -0.383) 8.585 3.536 ( -5.279 4.579 6.380) 9.463 3.657 ( -3.381 -3.007 -6.963) 8.304 4.197 ( 0.244 1.415 0.590) 1.552 4.296 ( 0.385 5.479 -2.135) 5.893 4.339 ( -0.052 -2.966 -3.210) 4.371 4.476 ( 4.298 2.499 -0.005) 4.971 5.467 ( -0.207 0.380 -0.259) 0.504 5.499 ( 3.712 1.763 4.907) 6.401 5.886 ( -0.944 0.150 0.080) 0.959 5.916 ( -0.321 1.455 -0.356) 1.532 5.956 ( -2.163 -1.226 1.410) 2.858 5.996 ( -0.987 -0.045 3.573) 3.707 6.634 ( -1.328 -0.721 -3.079) 3.430 6.879 ( 10.078 -3.776 0.061) 10.762 7.088 ( -0.563 -1.043 1.757) 2.119 7.233 ( 5.037 4.476 -1.639) 6.935 7.927 ( -9.190 -1.530 -10.035) 13.693 8.073 ( 7.226 -0.044 7.745) 10.593 8.535 ( -2.182 -0.929 3.130) 3.927 8.626 ( 0.223 -0.182 -1.624) 1.650 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -5.005 -1.256 7.598) 9.184 1.080 ( 2.501 2.444 10.316) 10.892 1.139 ( 1.995 0.726 -1.029) 2.360 1.318 ( 0.587 1.115 -4.578) 4.749 1.350 ( 1.033 1.518 4.023) 4.422 1.599 ( 2.351 5.153 2.110) 6.044 1.804 ( 0.241 1.860 -6.182) 6.461 1.908 ( 1.737 4.647 3.189) 5.898 2.050 ( -4.084 -0.336 2.990) 5.073 2.181 ( -0.270 1.482 4.139) 4.405 2.330 ( -1.079 -4.574 5.020) 6.877 2.445 ( 0.998 -3.621 -0.631) 3.809 2.623 ( 0.461 0.093 -0.014) 0.470 2.734 ( 3.665 -1.970 -6.088) 7.374 2.989 ( -1.630 4.456 -1.423) 4.954 3.264 ( -4.889 1.393 -4.097) 6.529 3.406 ( -6.217 0.891 2.447) 6.741 3.542 ( -7.191 -3.606 -9.174) 12.202 4.220 ( 1.855 -0.436 -1.211) 2.258 4.303 ( 1.355 2.977 -3.090) 4.499 4.360 ( 1.505 -3.296 -1.899) 4.090 4.531 ( 1.122 -0.289 0.248) 1.185 5.483 ( 2.071 -0.814 0.358) 2.254 5.607 ( 5.532 1.828 7.709) 9.663 5.842 ( -3.066 -0.153 -0.264) 3.081 5.901 ( -1.023 1.079 0.606) 1.606 5.926 ( -0.889 -0.404 -1.414) 1.718 5.982 ( -0.900 0.021 4.378) 4.470 6.653 ( 3.229 0.079 -2.476) 4.070 7.045 ( 5.737 -4.115 -1.015) 7.133 7.091 ( 0.585 -3.060 1.074) 3.296 7.367 ( 7.304 2.867 -5.067) 9.340 7.748 ( -5.800 -0.258 -5.055) 7.698 8.208 ( 5.175 0.515 7.575) 9.189 8.490 ( -2.204 -1.768 2.692) 3.903 8.634 ( 0.362 1.776 0.139) 1.818 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -3.763 -1.329 9.348) 10.165 1.082 ( -2.361 3.348 0.471) 4.123 1.219 ( 4.622 -0.617 6.579) 8.063 1.348 ( 1.413 2.267 2.904) 3.946 1.411 ( 5.311 5.030 -0.705) 7.349 1.602 ( -1.103 2.479 -0.708) 2.804 1.847 ( 3.144 4.108 -8.388) 9.855 1.879 ( -3.852 4.629 1.701) 6.258 2.071 ( 4.640 0.778 0.452) 4.726 2.170 ( -0.738 3.058 3.862) 4.981 2.337 ( 2.403 -1.223 11.076) 11.400 2.451 ( -0.885 -5.031 3.797) 6.365 2.611 ( -1.293 -1.086 -2.650) 3.142 2.818 ( 4.663 -1.227 0.208) 4.826 2.996 ( 2.291 7.206 -2.643) 8.009 3.064 ( -12.111 8.196 -0.055) 14.624 3.308 ( -4.700 -4.145 -8.068) 10.215 3.376 ( -8.241 -3.012 -8.729) 12.377 4.259 ( 1.922 -1.569 -0.613) 2.555 4.322 ( 0.030 2.071 -1.664) 2.657 4.406 ( 3.701 -4.292 -2.428) 6.166 4.520 ( -2.182 -3.022 0.416) 3.751 5.540 ( 3.311 -1.817 1.613) 4.107 5.693 ( 1.180 -0.525 2.172) 2.527 5.801 ( 0.152 1.264 3.245) 3.486 5.881 ( -1.006 1.268 -0.056) 1.619 5.910 ( -0.492 0.142 -0.408) 0.655 5.972 ( -0.369 0.962 1.823) 2.094 6.744 ( 5.832 -0.803 0.280) 5.894 7.086 ( -1.758 -7.138 -1.967) 7.609 7.116 ( 1.881 1.010 0.977) 2.348 7.333 ( -8.417 2.098 -10.198) 13.388 7.858 ( 14.843 -3.284 1.591) 15.285 8.238 ( -3.925 -3.540 6.204) 8.150 8.496 ( 3.375 3.429 2.115) 5.256 8.633 ( -0.581 2.855 -0.243) 2.924 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.666 3.279 8.718) 9.338 1.085 ( 0.335 0.705 -5.462) 5.518 1.315 ( 4.128 1.427 12.421) 13.167 1.408 ( -0.909 3.084 5.770) 6.605 1.576 ( -4.207 0.804 -3.182) 5.336 1.634 ( 4.008 3.883 -7.209) 9.116 1.914 ( -1.377 7.607 1.564) 7.887 2.011 ( 1.463 7.723 -6.495) 10.197 2.176 ( 1.770 2.211 5.742) 6.402 2.257 ( -1.492 3.278 -3.857) 5.277 2.323 ( 0.553 -3.503 5.595) 6.624 2.458 ( 2.812 -1.843 1.596) 3.721 2.614 ( 4.685 3.385 6.261) 8.521 2.829 ( -5.768 0.399 -6.189) 8.470 3.015 ( -2.134 1.331 -0.076) 2.516 3.060 ( -5.716 -7.040 -2.976) 9.544 3.206 ( -0.679 4.522 -1.027) 4.686 3.274 ( 2.658 7.183 -5.350) 9.343 4.229 ( -2.956 -4.435 3.628) 6.448 4.282 ( 0.913 -3.298 -1.347) 3.678 4.358 ( -3.472 -4.714 0.452) 5.872 4.425 ( 4.294 -2.745 -5.598) 7.570 5.559 ( 2.677 -2.364 2.862) 4.576 5.629 ( -2.737 -1.180 -3.500) 4.597 5.861 ( 0.543 1.122 2.037) 2.388 5.887 ( -0.068 0.574 -0.679) 0.892 5.949 ( 2.649 1.885 5.069) 6.022 6.023 ( 0.712 3.104 -1.612) 3.569 6.773 ( -0.376 -4.991 7.109) 8.694 6.911 ( -1.755 -2.756 -5.467) 6.370 7.178 ( 1.820 1.536 2.441) 3.410 7.244 ( -4.819 2.129 -4.000) 6.614 7.984 ( -9.097 -5.305 2.180) 10.754 8.025 ( 11.299 -5.869 -1.063) 12.776 8.662 ( -2.898 3.636 -0.176) 4.653 8.689 ( 4.810 2.881 -2.456) 6.121 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 2.920 1.770 5.225) 6.242 1.101 ( 1.299 4.513 -2.970) 5.557 1.340 ( -2.631 3.872 4.112) 6.231 1.425 ( 1.700 1.784 7.439) 7.836 1.499 ( -2.473 -0.241 -4.588) 5.218 1.683 ( 1.940 5.069 -7.024) 8.876 1.861 ( -2.662 4.168 -1.458) 5.156 2.058 ( -0.217 1.864 0.037) 1.877 2.180 ( -0.701 7.456 -8.496) 11.325 2.206 ( -0.788 -2.827 10.769) 11.162 2.340 ( 0.687 -0.269 2.040) 2.169 2.425 ( -4.606 -3.294 -5.796) 8.103 2.599 ( -8.758 0.397 -5.707) 10.461 2.819 ( 4.795 2.366 5.530) 7.692 2.911 ( -3.289 -3.872 2.524) 5.673 3.098 ( 4.501 4.390 6.998) 9.408 3.177 ( 0.914 -3.613 -2.211) 4.334 3.412 ( 7.974 6.933 -3.004) 10.985 4.153 ( -3.412 -4.194 3.801) 6.609 4.300 ( -0.769 -5.089 -1.582) 5.384 4.321 ( 0.720 0.754 1.100) 1.516 4.501 ( 3.326 -3.039 -3.997) 6.023 5.563 ( -2.725 -0.810 -2.779) 3.975 5.625 ( 2.689 -2.395 2.482) 4.374 5.869 ( 0.277 0.848 1.253) 1.538 5.892 ( 0.545 0.443 -0.534) 0.882 5.997 ( 0.489 3.704 -0.399) 3.757 6.032 ( 1.688 2.286 -2.782) 3.977 6.691 ( -6.742 -2.723 5.449) 9.086 6.907 ( 0.095 -4.905 -0.464) 4.928 7.168 ( -2.501 1.769 -1.210) 3.293 7.227 ( 2.305 1.730 4.624) 5.449 7.810 ( -7.819 -2.551 0.117) 8.225 8.222 ( 8.655 -7.151 -2.529) 11.508 8.570 ( -6.046 2.878 -1.912) 6.964 8.743 ( 0.882 1.848 -3.637) 4.174 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 2.855 1.009 2.049) 3.656 1.124 ( 1.449 5.693 0.926) 5.947 1.276 ( -3.546 1.965 -0.169) 4.058 1.423 ( -1.413 5.300 0.074) 5.486 1.469 ( -0.971 -0.087 -7.318) 7.383 1.731 ( 3.308 4.191 0.125) 5.341 1.796 ( -4.625 3.652 -4.090) 7.173 1.974 ( -4.963 -2.322 -1.062) 5.581 2.164 ( -0.855 -6.134 5.791) 8.479 2.262 ( 3.565 5.549 -1.676) 6.805 2.301 ( -6.330 -2.682 -2.900) 7.462 2.378 ( 2.735 -6.177 3.153) 7.455 2.444 ( -5.860 1.034 -8.401) 10.295 2.750 ( -4.405 -1.565 -4.240) 6.311 2.949 ( -0.493 0.820 6.916) 6.982 3.195 ( 1.926 0.176 1.708) 2.581 3.277 ( 9.974 -0.864 8.482) 13.121 3.536 ( 4.661 1.816 1.754) 5.301 4.140 ( 2.029 0.137 2.043) 2.882 4.287 ( 0.043 -2.935 -2.457) 3.828 4.340 ( 0.663 2.657 2.524) 3.725 4.539 ( 0.674 -1.242 -1.966) 2.422 5.503 ( -2.875 0.037 -2.549) 3.842 5.673 ( 1.310 -1.639 2.744) 3.454 5.876 ( 0.315 0.772 1.184) 1.448 5.902 ( 0.455 0.331 -0.577) 0.806 5.962 ( -2.255 3.214 -4.672) 6.103 6.089 ( 3.021 1.855 -3.113) 4.718 6.575 ( -4.547 -1.040 5.070) 6.889 6.873 ( -3.722 -6.324 1.106) 7.421 7.133 ( -0.775 1.548 -1.573) 2.339 7.260 ( -0.364 1.376 6.466) 6.621 7.716 ( -0.876 0.458 0.210) 1.011 8.353 ( 3.331 -4.965 -6.112) 8.549 8.439 ( -5.142 -0.061 -0.215) 5.146 8.726 ( -1.997 0.811 -3.665) 4.252 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.134 2.030 3.938) 4.432 1.157 ( 0.677 2.241 -3.375) 4.107 1.220 ( -1.426 1.008 2.826) 3.322 1.380 ( -2.135 5.144 -7.517) 9.355 1.460 ( 0.862 1.734 -4.697) 5.080 1.647 ( -8.598 4.671 -2.960) 10.223 1.802 ( 2.573 1.771 2.893) 4.257 1.931 ( 0.684 -4.162 -4.028) 5.833 2.148 ( -2.381 -6.141 9.617) 11.656 2.180 ( -4.923 -4.909 1.441) 7.100 2.285 ( -0.759 0.339 -4.063) 4.147 2.362 ( -1.603 0.319 -10.221) 10.351 2.466 ( 5.130 -6.794 4.586) 9.670 2.702 ( -0.322 0.257 -5.509) 5.524 2.930 ( -0.540 -0.310 5.457) 5.492 3.165 ( -3.957 -6.051 -3.117) 7.873 3.490 ( 9.154 3.427 8.942) 13.247 3.619 ( 3.606 -0.118 4.908) 6.091 4.204 ( 3.035 1.470 1.388) 3.647 4.289 ( -0.091 -1.142 -1.714) 2.062 4.370 ( 2.991 5.161 1.498) 6.150 4.523 ( -2.048 1.572 -0.597) 2.650 5.455 ( -1.501 0.714 -0.115) 1.666 5.653 ( -3.509 0.778 -2.015) 4.120 5.884 ( 0.436 0.438 1.508) 1.630 5.915 ( 1.235 0.381 1.763) 2.186 5.934 ( -0.263 0.880 -2.343) 2.516 6.110 ( -1.153 1.515 -3.204) 3.727 6.551 ( 2.157 -1.368 2.483) 3.563 6.772 ( -6.006 -4.754 0.264) 7.664 7.141 ( 1.697 1.714 -1.692) 2.946 7.219 ( -3.580 1.304 3.995) 5.521 7.772 ( 5.454 0.640 3.894) 6.732 8.244 ( -8.140 -0.799 -8.216) 11.593 8.482 ( 4.119 -3.978 1.207) 5.852 8.670 ( -3.132 0.107 -3.143) 4.439 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -1.063 1.131 4.713) 4.962 1.141 ( -0.824 1.729 -2.651) 3.271 1.201 ( -2.456 0.680 5.347) 5.923 1.339 ( -1.325 -0.345 -7.044) 7.176 1.492 ( -4.796 6.565 -1.517) 8.271 1.509 ( 3.414 5.450 -3.072) 7.127 1.836 ( 0.968 -1.071 3.826) 4.089 1.942 ( -1.006 -2.979 -4.470) 5.465 2.108 ( 0.393 -1.974 5.368) 5.733 2.120 ( -2.882 -6.500 9.548) 11.905 2.270 ( 0.298 1.016 -7.088) 7.167 2.345 ( 0.460 -3.945 -7.966) 8.902 2.558 ( 3.283 -4.152 4.330) 6.839 2.690 ( -1.101 -2.763 -7.349) 7.928 2.972 ( 4.551 -3.730 4.863) 7.634 3.078 ( -3.373 -4.066 -5.035) 7.298 3.625 ( 3.470 3.744 5.483) 7.491 3.670 ( 0.676 0.436 1.862) 2.028 4.233 ( -0.345 0.506 2.799) 2.866 4.289 ( 0.547 0.035 -2.011) 2.084 4.452 ( 4.291 4.281 0.202) 6.064 4.465 ( -3.417 4.444 -0.836) 5.667 5.457 ( 1.714 1.454 3.941) 4.537 5.561 ( -4.543 1.727 -4.651) 6.727 5.892 ( 0.123 -0.259 1.782) 1.805 5.929 ( -0.115 -0.689 -1.117) 1.318 5.954 ( 1.579 1.500 5.321) 5.750 6.050 ( -3.910 0.404 -1.865) 4.351 6.645 ( 4.364 -2.196 -0.323) 4.896 6.668 ( -1.612 -2.567 -2.250) 3.775 7.137 ( -3.325 1.251 3.473) 4.968 7.207 ( 3.839 2.048 -2.734) 5.139 7.906 ( 7.263 -0.413 6.698) 9.888 8.073 ( -8.386 -1.836 -8.421) 12.025 8.550 ( 2.122 -0.938 1.868) 2.979 8.606 ( -2.459 -1.236 -3.059) 4.115 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 0.056 -0.455 5.416) 5.435 1.090 ( -4.733 -1.397 2.064) 5.349 1.175 ( 0.266 5.440 7.404) 9.192 1.320 ( 0.271 -0.981 -3.293) 3.447 1.419 ( -1.743 6.285 -0.608) 6.551 1.621 ( 6.456 6.560 -1.094) 9.269 1.872 ( 2.180 -0.584 1.666) 2.805 1.884 ( -2.574 0.838 -2.550) 3.719 2.077 ( -2.011 -5.134 9.646) 11.111 2.167 ( 3.593 -0.276 3.429) 4.975 2.275 ( 0.204 -0.340 -4.667) 4.684 2.359 ( 1.366 -4.007 -4.579) 6.236 2.610 ( 1.852 -0.387 2.693) 3.291 2.644 ( -1.859 -5.944 -10.343) 12.073 3.042 ( 0.046 -0.341 -4.999) 5.011 3.094 ( 6.332 -7.561 3.398) 10.431 3.622 ( -4.491 2.991 0.200) 5.399 3.643 ( -3.148 2.734 -0.995) 4.286 4.221 ( -0.494 0.808 1.162) 1.499 4.285 ( -1.182 -2.158 -2.161) 3.274 4.407 ( -1.724 5.489 -1.947) 6.074 4.514 ( 1.515 1.310 0.295) 2.024 5.484 ( -1.719 1.269 -1.661) 2.706 5.536 ( 4.572 1.937 6.236) 7.971 5.888 ( -0.892 -0.120 1.610) 1.844 5.924 ( -0.354 -0.908 -0.970) 1.375 5.942 ( -3.282 -0.066 1.035) 3.442 6.002 ( -0.426 0.987 4.604) 4.728 6.621 ( 0.498 -0.368 -3.903) 3.951 6.796 ( 7.134 -4.433 -1.549) 8.540 7.088 ( -1.488 0.515 2.673) 3.102 7.302 ( 5.724 2.751 -2.861) 6.965 7.897 ( -8.528 -1.412 -7.615) 11.520 8.063 ( 7.616 -0.955 8.024) 11.104 8.516 ( -3.487 -0.930 -1.466) 3.895 8.624 ( 2.457 -0.044 0.677) 2.549 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -4.446 0.777 7.541) 8.789 1.077 ( 1.783 -1.787 3.745) 4.516 1.182 ( 0.047 2.352 6.360) 6.781 1.349 ( 1.950 1.169 4.060) 4.653 1.438 ( 4.053 8.509 -1.954) 9.626 1.701 ( -0.055 5.019 0.876) 5.095 1.852 ( 1.957 2.380 -3.404) 4.591 1.969 ( 6.238 1.833 -0.995) 6.577 2.052 ( -1.425 -0.684 7.047) 7.222 2.228 ( 2.145 3.293 5.594) 6.836 2.264 ( -0.824 -0.796 -1.231) 1.682 2.381 ( 0.896 -2.890 -1.837) 3.540 2.584 ( -1.351 -4.236 -7.156) 8.424 2.694 ( 5.109 -1.731 -2.646) 6.009 3.060 ( 1.883 1.684 -3.865) 4.617 3.188 ( 2.144 -7.827 0.849) 8.160 3.472 ( -9.973 3.700 -4.487) 11.545 3.536 ( -7.297 4.314 -1.815) 8.669 4.216 ( -0.119 0.174 -2.601) 2.609 4.264 ( 0.271 -4.458 -1.574) 4.735 4.385 ( -0.843 3.493 -2.219) 4.223 4.508 ( -2.102 -2.306 0.980) 3.270 5.473 ( 0.755 -0.129 0.229) 0.800 5.644 ( 4.725 1.983 6.667) 8.408 5.843 ( -2.922 0.203 1.545) 3.312 5.903 ( -0.725 -0.806 0.611) 1.244 5.913 ( -0.586 -0.924 -0.334) 1.144 6.000 ( -0.252 1.804 4.702) 5.042 6.661 ( 3.235 0.990 -3.215) 4.667 6.907 ( 3.855 -7.682 -1.371) 8.704 7.093 ( 1.743 0.881 1.869) 2.703 7.410 ( 4.076 1.672 -6.026) 7.464 7.745 ( -4.549 -0.016 -3.274) 5.605 8.189 ( 2.537 -2.510 7.806) 8.583 8.472 ( 0.804 -0.092 -2.164) 2.310 8.669 ( 1.828 1.784 1.386) 2.906 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.179 2.693 9.126) 9.761 1.094 ( -0.322 -1.264 -2.764) 3.056 1.223 ( 3.434 0.723 11.273) 11.806 1.393 ( 1.838 2.313 5.790) 6.500 1.542 ( 5.588 7.668 -3.126) 9.990 1.655 ( -3.397 2.615 -1.610) 4.580 1.898 ( 1.740 3.273 -1.650) 4.057 2.032 ( -1.085 8.396 0.279) 8.470 2.097 ( 5.749 1.894 0.748) 6.099 2.246 ( 0.341 2.891 2.036) 3.553 2.292 ( 3.270 -0.964 4.135) 5.359 2.393 ( 0.829 -0.899 3.929) 4.115 2.574 ( 0.798 -2.413 -5.575) 6.127 2.802 ( 5.263 -1.252 0.050) 5.410 3.100 ( 1.658 1.738 -5.975) 6.440 3.164 ( -4.249 -4.733 -1.878) 6.631 3.249 ( -10.326 4.688 -4.468) 12.189 3.375 ( -7.980 4.734 -3.066) 9.772 4.224 ( 1.292 -2.087 -1.865) 3.083 4.288 ( 0.941 -6.397 -0.156) 6.468 4.370 ( 0.433 1.805 -4.457) 4.828 4.442 ( -4.301 -5.033 1.443) 6.775 5.506 ( 2.243 -1.476 1.934) 3.309 5.681 ( -1.540 -0.524 -1.236) 2.044 5.834 ( 1.591 1.919 5.693) 6.215 5.894 ( -0.448 0.287 -0.490) 0.723 5.909 ( 0.567 -0.456 2.810) 2.902 6.007 ( 0.632 2.442 1.769) 3.081 6.727 ( 3.297 -0.886 1.058) 3.574 6.944 ( 0.058 -6.985 -2.560) 7.440 7.138 ( 2.164 1.195 1.374) 2.828 7.370 ( -6.220 1.657 -8.466) 10.635 7.805 ( 9.532 -2.109 1.014) 9.815 8.142 ( -6.520 -5.611 4.369) 9.648 8.565 ( 7.024 3.028 -1.094) 7.727 8.690 ( 0.004 2.936 1.066) 3.124 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.757 2.904 4.869) 5.719 1.075 ( 3.198 -1.229 -3.337) 4.783 1.333 ( 5.379 0.427 14.958) 15.901 1.459 ( -0.978 1.703 4.665) 5.061 1.580 ( -5.262 -0.143 -1.534) 5.483 1.676 ( 3.319 0.929 -8.780) 9.433 2.070 ( -1.644 7.361 4.124) 8.596 2.143 ( -1.445 5.008 -1.741) 5.496 2.181 ( -0.609 -2.324 7.228) 7.617 2.254 ( 2.640 -1.976 0.104) 3.299 2.339 ( 1.009 2.889 -1.882) 3.592 2.432 ( 0.237 -0.631 -5.124) 5.168 2.682 ( 8.353 3.153 4.333) 9.924 2.832 ( -3.981 -0.195 -4.058) 5.688 2.936 ( -5.579 -3.986 -1.875) 7.108 2.955 ( -3.564 -4.785 -6.457) 8.791 3.336 ( -5.035 5.922 3.432) 8.497 3.407 ( 4.923 4.716 -3.640) 7.728 4.119 ( -3.503 -4.919 5.678) 8.289 4.208 ( 0.381 -3.176 -2.493) 4.055 4.305 ( 0.016 -1.133 1.223) 1.667 4.396 ( 1.853 -0.555 -7.735) 7.973 5.528 ( 2.338 -0.823 3.497) 4.286 5.615 ( -2.622 -0.327 -4.415) 5.145 5.876 ( 0.148 0.432 1.333) 1.409 5.892 ( 0.046 0.079 -0.081) 0.123 5.979 ( 3.730 0.988 6.583) 7.631 6.069 ( 1.009 1.459 -1.876) 2.582 6.701 ( -1.656 -2.220 8.677) 9.108 6.872 ( -0.393 -1.156 -6.911) 7.018 7.199 ( 2.095 0.616 2.665) 3.445 7.271 ( -5.081 0.691 -4.223) 6.642 7.911 ( -7.665 -2.121 1.725) 8.138 7.949 ( 9.267 -2.054 -1.283) 9.578 8.709 ( -2.766 1.411 -0.672) 3.177 8.723 ( 4.113 0.740 -1.761) 4.534 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 1.450 0.871 1.695) 2.394 1.157 ( 4.524 1.502 -4.248) 6.385 1.403 ( -3.989 1.931 1.235) 4.601 1.455 ( 4.313 1.137 13.114) 13.852 1.493 ( -2.591 -0.330 -2.974) 3.958 1.751 ( 4.154 1.710 -8.338) 9.471 1.973 ( -5.695 6.974 1.530) 9.133 2.079 ( -6.607 0.517 4.300) 7.900 2.119 ( -4.644 -4.156 6.899) 9.297 2.263 ( -1.914 -4.259 -0.041) 4.670 2.359 ( 1.446 7.045 -3.447) 7.975 2.430 ( -2.818 0.548 -7.950) 8.452 2.592 ( -10.089 -1.088 -8.481) 13.225 2.800 ( -2.916 -1.622 -0.431) 3.365 2.912 ( 6.365 2.246 7.349) 9.978 3.021 ( 4.802 -5.764 0.026) 7.502 3.261 ( -1.023 5.311 5.494) 7.710 3.499 ( 2.881 1.714 -0.852) 3.459 4.095 ( 1.433 -1.387 4.942) 5.329 4.217 ( 0.740 -3.045 -1.810) 3.619 4.331 ( 2.005 0.261 1.950) 2.809 4.447 ( 3.477 -1.925 -6.778) 7.857 5.560 ( -1.996 0.356 -3.422) 3.978 5.588 ( 2.591 -1.369 3.312) 4.423 5.880 ( 0.129 0.289 1.076) 1.121 5.897 ( 0.431 0.131 -0.330) 0.558 6.051 ( 2.966 1.611 1.303) 3.618 6.067 ( -0.705 1.201 -5.507) 5.680 6.651 ( -4.389 -1.249 9.755) 10.769 6.835 ( -2.324 -2.220 -4.771) 5.753 7.193 ( -2.633 0.780 -1.878) 3.326 7.249 ( 2.334 0.582 5.262) 5.785 7.777 ( -5.380 -0.895 0.273) 5.461 8.122 ( 8.200 -2.951 -2.230) 8.996 8.610 ( -6.838 1.149 -2.300) 7.305 8.764 ( 0.189 0.496 -2.197) 2.260 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 3.257 0.281 0.220) 3.277 1.215 ( 1.258 2.800 -5.100) 5.952 1.314 ( -4.511 1.668 -1.031) 4.919 1.457 ( 0.159 -0.073 -4.985) 4.988 1.521 ( -0.251 2.943 7.742) 8.286 1.809 ( 2.328 2.748 -4.852) 6.042 1.866 ( -6.390 3.672 1.332) 7.489 1.946 ( -5.178 0.759 2.631) 5.858 2.042 ( -2.949 -6.768 6.839) 10.063 2.190 ( -6.247 -4.885 -3.585) 8.703 2.313 ( -3.271 -1.638 1.587) 3.988 2.347 ( -2.299 2.267 -2.082) 3.842 2.496 ( -1.921 2.578 -10.507) 10.987 2.729 ( -3.034 -0.117 -3.236) 4.438 2.970 ( -1.395 0.972 4.409) 4.726 3.082 ( 0.952 -5.556 -2.228) 6.062 3.367 ( 9.591 4.395 11.823) 15.846 3.536 ( 2.037 -1.214 4.862) 5.410 4.168 ( 4.361 1.826 1.760) 5.045 4.237 ( 1.440 -1.819 -1.849) 2.966 4.381 ( 2.909 1.343 2.996) 4.387 4.506 ( 2.624 -1.615 -3.868) 4.945 5.510 ( -2.445 0.398 -3.099) 3.968 5.647 ( 2.320 -0.876 4.717) 5.329 5.882 ( 0.037 0.103 1.216) 1.221 5.906 ( 0.490 0.095 -0.661) 0.828 6.011 ( -3.128 1.501 -8.239) 8.940 6.120 ( 2.945 1.078 -2.476) 3.996 6.561 ( -4.574 -0.367 8.132) 9.338 6.780 ( -3.109 -2.903 -1.650) 4.562 7.156 ( -0.816 0.744 -2.288) 2.541 7.278 ( -0.647 0.476 6.851) 6.898 7.724 ( 0.430 0.327 0.283) 0.610 8.265 ( 6.076 -2.965 -3.355) 7.548 8.450 ( -8.383 0.459 -2.188) 8.676 8.738 ( -2.406 0.352 -2.359) 3.388 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.126 1.089 1.097) 1.913 1.200 ( -1.835 1.686 -4.589) 5.222 1.241 ( -2.573 1.014 1.078) 2.969 1.424 ( -4.615 0.364 -5.076) 6.869 1.523 ( 2.281 2.809 1.131) 3.791 1.725 ( -6.630 2.887 -0.331) 7.239 1.825 ( -0.843 0.739 -0.100) 1.125 1.897 ( -0.443 1.436 -3.905) 4.184 2.022 ( 0.177 -6.429 5.613) 8.536 2.072 ( -4.008 -4.862 2.825) 6.906 2.281 ( -2.236 0.655 -1.270) 2.654 2.345 ( 3.265 -3.834 3.155) 5.942 2.437 ( -3.013 3.732 -9.220) 10.393 2.669 ( -3.020 -3.014 -5.439) 6.913 2.937 ( -1.275 0.496 4.062) 4.286 3.066 ( -1.387 -2.916 -4.110) 5.227 3.564 ( 8.093 3.203 8.919) 12.462 3.609 ( 4.422 -0.979 6.896) 8.250 4.229 ( 1.403 0.859 2.004) 2.593 4.266 ( 1.457 -0.830 -1.642) 2.346 4.452 ( 3.824 2.785 1.905) 5.100 4.537 ( 0.626 -0.033 -1.325) 1.465 5.469 ( -1.123 0.534 -0.034) 1.244 5.660 ( -1.887 0.068 0.914) 2.098 5.883 ( -0.081 -0.168 1.551) 1.562 5.914 ( 0.291 -0.186 -0.584) 0.679 5.963 ( -0.274 1.199 -4.420) 4.588 6.134 ( -1.982 0.800 -2.083) 2.984 6.529 ( 1.694 -0.701 3.018) 3.532 6.704 ( -4.326 -2.024 -0.666) 4.823 7.166 ( 2.154 0.797 -3.008) 3.785 7.233 ( -3.872 0.324 5.214) 6.502 7.785 ( 4.851 0.493 2.904) 5.675 8.225 ( -8.638 -0.846 -8.445) 12.110 8.424 ( 5.179 -1.684 3.055) 6.244 8.675 ( -3.574 0.230 -2.586) 4.418 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -2.157 1.878 4.717) 5.516 1.146 ( -3.385 -0.600 0.212) 3.444 1.225 ( 0.848 1.136 3.648) 3.914 1.319 ( -4.312 -1.160 -4.819) 6.570 1.599 ( 4.647 3.311 -0.931) 5.781 1.622 ( -3.191 5.580 -2.367) 6.850 1.803 ( -0.444 -2.223 1.658) 2.808 1.894 ( 0.100 -1.180 -5.988) 6.104 2.019 ( -0.807 -3.057 7.320) 7.973 2.080 ( 3.678 -2.002 3.432) 5.414 2.246 ( -1.145 -1.057 -1.791) 2.374 2.356 ( -1.812 2.839 -8.956) 9.568 2.456 ( 4.986 -4.634 5.140) 8.529 2.598 ( -3.290 -4.780 -7.794) 9.717 2.943 ( 1.417 -0.243 3.860) 4.119 3.043 ( -0.354 -0.435 -5.562) 5.590 3.681 ( 3.208 1.577 3.828) 5.238 3.686 ( 1.853 0.864 3.696) 4.224 4.236 ( -0.636 -0.038 2.904) 2.973 4.283 ( 0.301 -0.210 -1.368) 1.417 4.516 ( 2.078 1.941 0.620) 2.910 4.527 ( -1.442 1.787 -0.500) 2.350 5.480 ( 2.280 0.776 4.350) 4.972 5.586 ( -4.504 0.732 -3.849) 5.970 5.883 ( -0.080 -0.386 1.927) 1.967 5.914 ( -0.139 -0.500 -0.765) 0.925 5.988 ( 1.832 1.320 3.389) 4.072 6.053 ( -5.245 -0.083 -0.491) 5.269 6.616 ( 4.874 -0.728 -1.623) 5.189 6.629 ( -1.318 -1.294 -2.612) 3.199 7.153 ( -4.015 0.425 3.919) 5.627 7.234 ( 4.612 0.755 -3.305) 5.724 7.902 ( 6.460 -0.097 5.695) 8.613 8.044 ( -8.549 -0.949 -7.141) 11.180 8.531 ( 4.963 -0.711 2.462) 5.585 8.595 ( -4.211 -0.162 -3.266) 5.331 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -2.166 0.201 7.511) 7.820 1.077 ( -3.357 -0.167 3.008) 4.511 1.239 ( -1.087 1.792 2.469) 3.239 1.297 ( 2.697 -1.277 3.819) 4.846 1.566 ( -0.820 6.904 -0.684) 6.986 1.724 ( 6.401 3.984 -1.324) 7.655 1.835 ( 3.515 -4.355 0.216) 5.600 1.876 ( -1.259 -0.057 -2.298) 2.621 2.025 ( 0.870 -0.771 2.378) 2.647 2.181 ( 5.780 2.002 5.262) 8.068 2.231 ( -0.108 -3.381 -2.212) 4.042 2.339 ( 1.026 0.816 -6.170) 6.307 2.532 ( -1.866 -3.984 -10.787) 11.650 2.566 ( 4.854 -3.261 3.957) 7.060 2.989 ( 2.654 -2.185 2.921) 4.512 3.045 ( 0.989 -0.313 -5.417) 5.515 3.669 ( -3.461 2.070 -0.989) 4.152 3.696 ( -2.122 1.420 -0.778) 2.669 4.220 ( -1.068 -0.535 2.373) 2.657 4.271 ( -1.508 0.156 -1.616) 2.216 4.486 ( -2.445 2.571 -1.274) 3.770 4.522 ( -1.658 -0.315 0.309) 1.715 5.506 ( -2.732 0.741 -2.838) 4.008 5.565 ( 5.250 0.929 7.481) 9.187 5.882 ( -0.305 -0.363 2.211) 2.261 5.909 ( -0.373 -0.486 -0.575) 0.840 5.938 ( -5.324 -0.174 -0.164) 5.330 6.023 ( 0.440 0.725 6.320) 6.376 6.623 ( 2.650 0.403 -4.999) 5.672 6.728 ( 4.434 -2.284 -2.625) 5.637 7.097 ( -1.556 0.291 3.157) 3.531 7.336 ( 5.666 0.860 -3.655) 6.797 7.878 ( -7.684 -0.529 -5.647) 9.551 8.045 ( 7.075 -0.669 7.888) 10.617 8.504 ( -4.024 -0.336 -4.211) 5.834 8.624 ( 4.035 0.044 1.925) 4.471 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.158 1.333 7.631) 8.042 1.041 ( 0.162 -1.801 5.066) 5.379 1.223 ( -0.635 1.780 4.853) 5.208 1.359 ( 2.868 0.033 4.803) 5.594 1.599 ( 3.279 5.969 1.650) 7.008 1.772 ( -2.666 2.216 -0.358) 3.485 1.879 ( 3.893 0.616 1.496) 4.216 1.961 ( 7.830 -1.786 -0.154) 8.032 2.058 ( 2.607 1.982 -0.694) 3.348 2.231 ( 0.669 -3.652 0.321) 3.727 2.310 ( 5.439 4.203 2.420) 7.288 2.374 ( 2.297 1.977 -2.945) 4.226 2.494 ( -0.134 -4.116 -12.378) 13.045 2.666 ( 4.812 -1.162 1.532) 5.182 3.039 ( 1.701 -4.855 1.697) 5.417 3.067 ( 1.672 -0.881 -4.263) 4.663 3.557 ( -7.639 4.551 -4.190) 9.830 3.601 ( -6.544 0.780 -2.747) 7.140 4.201 ( -1.005 -1.685 1.141) 2.269 4.229 ( -1.956 0.877 -3.033) 3.714 4.433 ( -2.907 1.208 -1.596) 3.530 4.457 ( -4.427 -2.194 0.154) 4.943 5.475 ( -0.274 0.171 0.043) 0.326 5.675 ( 3.906 1.001 5.204) 6.583 5.846 ( -2.539 0.025 3.468) 4.298 5.881 ( -0.270 -0.937 1.899) 2.134 5.903 ( -0.350 -0.225 -0.606) 0.735 6.030 ( 0.122 0.950 5.137) 5.226 6.697 ( 3.664 2.958 -4.039) 6.205 6.781 ( 2.179 -5.434 -1.892) 6.153 7.106 ( 1.991 0.403 2.196) 2.991 7.430 ( 3.136 0.558 -6.289) 7.050 7.747 ( -3.994 0.104 -2.151) 4.537 8.141 ( -0.110 -1.750 6.847) 7.068 8.475 ( 3.200 0.193 -3.504) 4.749 8.694 ( 2.833 0.771 1.427) 3.264 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 7.23e-05 7.23e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.368 3.355 5.044) 6.069 1.054 ( 0.000 -2.720 3.075) 4.106 1.240 ( 2.319 0.782 10.765) 11.040 1.425 ( 3.214 0.885 4.129) 5.306 1.646 ( 1.094 2.750 -2.530) 3.893 1.688 ( -5.112 0.749 -0.857) 5.237 1.988 ( 6.296 5.096 5.904) 10.023 2.114 ( 6.332 0.405 0.968) 6.418 2.132 ( 4.740 1.136 0.505) 4.901 2.229 ( -1.377 -1.452 -2.238) 3.002 2.343 ( -0.925 2.473 -0.561) 2.699 2.428 ( 1.917 2.838 -0.581) 3.473 2.540 ( 5.648 -0.547 -6.619) 8.719 2.763 ( 5.067 -2.019 0.650) 5.493 3.029 ( -2.907 -5.808 -0.113) 6.496 3.091 ( -1.182 -0.814 -7.478) 7.615 3.383 ( -6.646 6.286 -5.486) 10.667 3.469 ( -6.490 2.313 0.925) 6.952 4.173 ( -1.868 -2.374 0.799) 3.125 4.208 ( -0.172 -1.621 -2.700) 3.153 4.348 ( -4.516 -3.513 2.391) 6.201 4.398 ( -1.290 0.687 -5.338) 5.534 5.488 ( 1.334 -0.429 2.282) 2.678 5.675 ( -2.701 -0.167 -3.249) 4.228 5.866 ( 1.324 1.433 4.810) 5.190 5.892 ( 1.002 -0.875 3.896) 4.117 5.899 ( 1.559 0.000 2.598) 3.029 6.045 ( 1.091 1.214 1.931) 2.528 6.717 ( -0.696 -0.145 3.737) 3.804 6.846 ( 3.493 -2.963 -5.721) 7.329 7.155 ( 2.345 0.509 1.709) 2.946 7.392 ( -5.548 0.640 -7.817) 9.607 7.780 ( 6.794 -0.606 0.410) 6.834 8.059 ( -6.981 -2.570 3.211) 8.103 8.601 ( 7.619 0.879 -1.268) 7.774 8.732 ( 0.610 1.210 0.585) 1.476 =================== 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 3/14112 10.0 57.497 60.009 81.202 0.000 16.238 0.000 3/14112 20.0 13.388 13.795 20.440 0.000 3.238 0.000 3/14112 30.0 6.475 6.593 10.183 0.000 1.570 0.000 3/14112 40.0 4.143 4.197 6.643 0.000 1.028 0.000 3/14112 50.0 3.026 3.056 4.905 0.000 0.762 0.000 3/14112 60.0 2.387 2.400 3.886 0.000 0.606 0.000 3/14112 70.0 1.979 1.977 3.222 0.000 0.504 0.000 3/14112 80.0 1.698 1.683 2.757 0.000 0.433 0.000 3/14112 90.0 1.493 1.468 2.414 0.000 0.380 0.000 3/14112 100.0 1.337 1.303 2.150 0.000 0.340 0.000 3/14112 110.0 1.213 1.172 1.941 0.000 0.308 0.000 3/14112 120.0 1.112 1.066 1.771 0.000 0.283 0.000 3/14112 130.0 1.028 0.978 1.629 0.000 0.261 0.000 3/14112 140.0 0.956 0.904 1.509 0.000 0.243 0.000 3/14112 150.0 0.895 0.841 1.406 0.000 0.227 0.000 3/14112 160.0 0.841 0.786 1.317 0.000 0.214 0.000 3/14112 170.0 0.793 0.738 1.239 0.000 0.201 0.000 3/14112 180.0 0.751 0.696 1.169 0.000 0.191 0.000 3/14112 190.0 0.713 0.658 1.107 0.000 0.181 0.000 3/14112 200.0 0.679 0.625 1.052 0.000 0.172 0.000 3/14112 210.0 0.648 0.594 1.002 0.000 0.165 0.000 3/14112 220.0 0.620 0.567 0.956 0.000 0.157 0.000 3/14112 230.0 0.594 0.542 0.915 0.000 0.151 0.000 3/14112 240.0 0.570 0.519 0.877 0.000 0.145 0.000 3/14112 250.0 0.548 0.498 0.842 0.000 0.139 0.000 3/14112 260.0 0.528 0.479 0.810 0.000 0.134 0.000 3/14112 270.0 0.509 0.461 0.780 0.000 0.129 0.000 3/14112 280.0 0.491 0.444 0.752 0.000 0.125 0.000 3/14112 290.0 0.475 0.429 0.726 0.000 0.121 0.000 3/14112 300.0 0.460 0.414 0.702 0.000 0.117 0.000 3/14112 310.0 0.445 0.401 0.680 0.000 0.113 0.000 3/14112 320.0 0.432 0.388 0.659 0.000 0.110 0.000 3/14112 330.0 0.419 0.377 0.639 0.000 0.106 0.000 3/14112 340.0 0.407 0.365 0.620 0.000 0.103 0.000 3/14112 350.0 0.396 0.355 0.603 0.000 0.101 0.000 3/14112 360.0 0.385 0.345 0.586 0.000 0.098 0.000 3/14112 370.0 0.375 0.336 0.570 0.000 0.095 0.000 3/14112 380.0 0.365 0.327 0.555 0.000 0.093 0.000 3/14112 390.0 0.356 0.318 0.541 0.000 0.090 0.000 3/14112 400.0 0.348 0.310 0.528 0.000 0.088 0.000 3/14112 410.0 0.339 0.303 0.515 0.000 0.086 0.000 3/14112 420.0 0.331 0.296 0.503 0.000 0.084 0.000 3/14112 430.0 0.324 0.289 0.491 0.000 0.082 0.000 3/14112 440.0 0.317 0.282 0.480 0.000 0.080 0.000 3/14112 450.0 0.310 0.276 0.469 0.000 0.079 0.000 3/14112 460.0 0.303 0.270 0.459 0.000 0.077 0.000 3/14112 470.0 0.297 0.264 0.450 0.000 0.075 0.000 3/14112 480.0 0.291 0.259 0.440 0.000 0.074 0.000 3/14112 490.0 0.285 0.253 0.431 0.000 0.072 0.000 3/14112 500.0 0.279 0.248 0.423 0.000 0.071 0.000 3/14112 510.0 0.274 0.243 0.414 0.000 0.070 0.000 3/14112 520.0 0.269 0.239 0.407 0.000 0.068 0.000 3/14112 530.0 0.264 0.234 0.399 0.000 0.067 0.000 3/14112 540.0 0.259 0.230 0.392 0.000 0.066 0.000 3/14112 550.0 0.254 0.226 0.384 0.000 0.065 0.000 3/14112 560.0 0.250 0.222 0.378 0.000 0.063 0.000 3/14112 570.0 0.246 0.218 0.371 0.000 0.062 0.000 3/14112 580.0 0.241 0.214 0.365 0.000 0.061 0.000 3/14112 590.0 0.237 0.210 0.359 0.000 0.060 0.000 3/14112 600.0 0.233 0.207 0.353 0.000 0.059 0.000 3/14112 610.0 0.230 0.204 0.347 0.000 0.058 0.000 3/14112 620.0 0.226 0.200 0.341 0.000 0.057 0.000 3/14112 630.0 0.222 0.197 0.336 0.000 0.057 0.000 3/14112 640.0 0.219 0.194 0.331 0.000 0.056 0.000 3/14112 650.0 0.216 0.191 0.326 0.000 0.055 0.000 3/14112 660.0 0.212 0.188 0.321 0.000 0.054 0.000 3/14112 670.0 0.209 0.185 0.316 0.000 0.053 0.000 3/14112 680.0 0.206 0.183 0.311 0.000 0.052 0.000 3/14112 690.0 0.203 0.180 0.307 0.000 0.052 0.000 3/14112 700.0 0.200 0.177 0.302 0.000 0.051 0.000 3/14112 710.0 0.198 0.175 0.298 0.000 0.050 0.000 3/14112 720.0 0.195 0.172 0.294 0.000 0.050 0.000 3/14112 730.0 0.192 0.170 0.290 0.000 0.049 0.000 3/14112 740.0 0.190 0.168 0.286 0.000 0.048 0.000 3/14112 750.0 0.187 0.166 0.282 0.000 0.048 0.000 3/14112 760.0 0.185 0.163 0.279 0.000 0.047 0.000 3/14112 770.0 0.182 0.161 0.275 0.000 0.046 0.000 3/14112 780.0 0.180 0.159 0.272 0.000 0.046 0.000 3/14112 790.0 0.178 0.157 0.268 0.000 0.045 0.000 3/14112 800.0 0.176 0.155 0.265 0.000 0.045 0.000 3/14112 810.0 0.174 0.153 0.262 0.000 0.044 0.000 3/14112 820.0 0.171 0.151 0.258 0.000 0.044 0.000 3/14112 830.0 0.169 0.150 0.255 0.000 0.043 0.000 3/14112 840.0 0.167 0.148 0.252 0.000 0.043 0.000 3/14112 850.0 0.165 0.146 0.249 0.000 0.042 0.000 3/14112 860.0 0.164 0.144 0.246 0.000 0.042 0.000 3/14112 870.0 0.162 0.143 0.244 0.000 0.041 0.000 3/14112 880.0 0.160 0.141 0.241 0.000 0.041 0.000 3/14112 890.0 0.158 0.140 0.238 0.000 0.040 0.000 3/14112 900.0 0.156 0.138 0.235 0.000 0.040 0.000 3/14112 910.0 0.155 0.137 0.233 0.000 0.039 0.000 3/14112 920.0 0.153 0.135 0.230 0.000 0.039 0.000 3/14112 930.0 0.151 0.134 0.228 0.000 0.038 0.000 3/14112 940.0 0.150 0.132 0.225 0.000 0.038 0.000 3/14112 950.0 0.148 0.131 0.223 0.000 0.038 0.000 3/14112 960.0 0.147 0.129 0.221 0.000 0.037 0.000 3/14112 970.0 0.145 0.128 0.219 0.000 0.037 0.000 3/14112 980.0 0.144 0.127 0.216 0.000 0.036 0.000 3/14112 990.0 0.142 0.125 0.214 0.000 0.036 0.000 3/14112 1000.0 0.141 0.124 0.212 0.000 0.036 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:52:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|