----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:02:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.181937700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.838637799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.957305359999998 Atomic positions (fractional): *1 S 0.64898121393552 0.25000000000000 0.28166661636537 32.065 2 S 0.35101878606448 0.75000000000000 0.71833338363462 32.065 3 S 0.14898121393552 0.25000000000000 0.21833338363463 32.065 4 S 0.85101878606448 0.75000000000000 0.78166661636538 32.065 *5 S 0.62352782477646 0.75000000000000 0.56729301975968 32.065 6 S 0.37647217522354 0.25000000000000 0.43270698024032 32.065 7 S 0.12352782477646 0.75000000000000 0.93270698024032 32.065 8 S 0.87647217522354 0.25000000000000 0.06729301975968 32.065 *9 S 0.50633754538853 0.25000000000000 0.89106387769109 32.065 10 S 0.49366245461147 0.75000000000000 0.10893612230891 32.065 11 S 0.00633754538853 0.25000000000000 0.60893612230891 32.065 12 S 0.99366245461147 0.75000000000000 0.39106387769109 32.065 *13 Dy 0.76672982968674 0.25000000000000 0.45707755372536 162.500 14 Dy 0.23327017031326 0.75000000000000 0.54292244627464 162.500 15 Dy 0.26672982968674 0.25000000000000 0.04292244627464 162.500 16 Dy 0.73327017031326 0.75000000000000 0.95707755372536 162.500 *17 Dy 0.85942075966217 0.75000000000000 0.20417642666673 162.500 18 Dy 0.14057924033783 0.25000000000000 0.79582357333327 162.500 19 Dy 0.35942075966217 0.75000000000000 0.29582357333326 162.500 20 Dy 0.64057924033783 0.25000000000000 0.70417642666673 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.181937700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.838637799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.957305359999998 Atomic positions (fractional): *1 S 0.64898121393552 0.25000000000000 0.28166661636537 32.065 > 1 2 S 0.35101878606448 0.75000000000000 0.71833338363462 32.065 > 2 3 S 0.14898121393552 0.25000000000000 0.21833338363463 32.065 > 3 4 S 0.85101878606448 0.75000000000000 0.78166661636538 32.065 > 4 *5 S 0.62352782477646 0.75000000000000 0.56729301975968 32.065 > 5 6 S 0.37647217522354 0.25000000000000 0.43270698024032 32.065 > 6 7 S 0.12352782477646 0.75000000000000 0.93270698024032 32.065 > 7 8 S 0.87647217522354 0.25000000000000 0.06729301975968 32.065 > 8 *9 S 0.50633754538853 0.25000000000000 0.89106387769109 32.065 > 9 10 S 0.49366245461147 0.75000000000000 0.10893612230891 32.065 > 10 11 S 0.00633754538853 0.25000000000000 0.60893612230891 32.065 > 11 12 S 0.99366245461147 0.75000000000000 0.39106387769109 32.065 > 12 *13 Dy 0.76672982968674 0.25000000000000 0.45707755372536 162.500 > 13 14 Dy 0.23327017031326 0.75000000000000 0.54292244627464 162.500 > 14 15 Dy 0.26672982968674 0.25000000000000 0.04292244627464 162.500 > 15 16 Dy 0.73327017031326 0.75000000000000 0.95707755372536 162.500 > 16 *17 Dy 0.85942075966217 0.75000000000000 0.20417642666673 162.500 > 17 18 Dy 0.14057924033783 0.25000000000000 0.79582357333327 162.500 > 18 19 Dy 0.35942075966217 0.75000000000000 0.29582357333326 162.500 > 19 20 Dy 0.64057924033783 0.25000000000000 0.70417642666673 162.500 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.363875400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.515913399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.957305359999998 Atomic positions (fractional): *1 S 0.32449060696776 0.08333333333333 0.28166661636537 32.065 > 1 2 S 0.82449060696776 0.08333333333333 0.28166661636537 32.065 > 1 3 S 0.32449060696776 0.41666666666667 0.28166661636537 32.065 > 1 4 S 0.82449060696776 0.41666666666667 0.28166661636537 32.065 > 1 5 S 0.32449060696776 0.75000000000000 0.28166661636537 32.065 > 1 6 S 0.82449060696776 0.75000000000000 0.28166661636537 32.065 > 1 7 S 0.17550939303224 0.25000000000000 0.71833338363462 32.065 > 2 8 S 0.67550939303224 0.25000000000000 0.71833338363462 32.065 > 2 9 S 0.17550939303224 0.58333333333333 0.71833338363462 32.065 > 2 10 S 0.67550939303224 0.58333333333333 0.71833338363462 32.065 > 2 11 S 0.17550939303224 0.91666666666667 0.71833338363462 32.065 > 2 12 S 0.67550939303224 0.91666666666667 0.71833338363462 32.065 > 2 13 S 0.07449060696776 0.08333333333333 0.21833338363463 32.065 > 3 14 S 0.57449060696776 0.08333333333333 0.21833338363463 32.065 > 3 15 S 0.07449060696776 0.41666666666667 0.21833338363463 32.065 > 3 16 S 0.57449060696776 0.41666666666667 0.21833338363463 32.065 > 3 17 S 0.07449060696776 0.75000000000000 0.21833338363463 32.065 > 3 18 S 0.57449060696776 0.75000000000000 0.21833338363463 32.065 > 3 19 S 0.42550939303224 0.25000000000000 0.78166661636538 32.065 > 4 20 S 0.92550939303224 0.25000000000000 0.78166661636538 32.065 > 4 21 S 0.42550939303224 0.58333333333333 0.78166661636538 32.065 > 4 22 S 0.92550939303224 0.58333333333333 0.78166661636538 32.065 > 4 23 S 0.42550939303224 0.91666666666667 0.78166661636538 32.065 > 4 24 S 0.92550939303224 0.91666666666667 0.78166661636538 32.065 > 4 *25 S 0.31176391238823 0.25000000000000 0.56729301975968 32.065 > 5 26 S 0.81176391238823 0.25000000000000 0.56729301975968 32.065 > 5 27 S 0.31176391238823 0.58333333333333 0.56729301975968 32.065 > 5 28 S 0.81176391238823 0.58333333333333 0.56729301975968 32.065 > 5 29 S 0.31176391238823 0.91666666666667 0.56729301975968 32.065 > 5 30 S 0.81176391238823 0.91666666666667 0.56729301975968 32.065 > 5 31 S 0.18823608761177 0.08333333333333 0.43270698024032 32.065 > 6 32 S 0.68823608761177 0.08333333333333 0.43270698024032 32.065 > 6 33 S 0.18823608761177 0.41666666666667 0.43270698024032 32.065 > 6 34 S 0.68823608761177 0.41666666666667 0.43270698024032 32.065 > 6 35 S 0.18823608761177 0.75000000000000 0.43270698024032 32.065 > 6 36 S 0.68823608761177 0.75000000000000 0.43270698024032 32.065 > 6 37 S 0.06176391238823 0.25000000000000 0.93270698024032 32.065 > 7 38 S 0.56176391238823 0.25000000000000 0.93270698024032 32.065 > 7 39 S 0.06176391238823 0.58333333333333 0.93270698024032 32.065 > 7 40 S 0.56176391238823 0.58333333333333 0.93270698024032 32.065 > 7 41 S 0.06176391238823 0.91666666666667 0.93270698024032 32.065 > 7 42 S 0.56176391238823 0.91666666666667 0.93270698024032 32.065 > 7 43 S 0.43823608761177 0.08333333333333 0.06729301975968 32.065 > 8 44 S 0.93823608761177 0.08333333333333 0.06729301975968 32.065 > 8 45 S 0.43823608761177 0.41666666666667 0.06729301975968 32.065 > 8 46 S 0.93823608761177 0.41666666666667 0.06729301975968 32.065 > 8 47 S 0.43823608761177 0.75000000000000 0.06729301975968 32.065 > 8 48 S 0.93823608761177 0.75000000000000 0.06729301975968 32.065 > 8 *49 S 0.25316877269426 0.08333333333333 0.89106387769109 32.065 > 9 50 S 0.75316877269426 0.08333333333333 0.89106387769109 32.065 > 9 51 S 0.25316877269426 0.41666666666667 0.89106387769109 32.065 > 9 52 S 0.75316877269426 0.41666666666667 0.89106387769109 32.065 > 9 53 S 0.25316877269426 0.75000000000000 0.89106387769109 32.065 > 9 54 S 0.75316877269426 0.75000000000000 0.89106387769109 32.065 > 9 55 S 0.24683122730574 0.25000000000000 0.10893612230891 32.065 > 10 56 S 0.74683122730574 0.25000000000000 0.10893612230891 32.065 > 10 57 S 0.24683122730574 0.58333333333333 0.10893612230891 32.065 > 10 58 S 0.74683122730574 0.58333333333333 0.10893612230891 32.065 > 10 59 S 0.24683122730574 0.91666666666667 0.10893612230891 32.065 > 10 60 S 0.74683122730574 0.91666666666667 0.10893612230891 32.065 > 10 61 S 0.00316877269426 0.08333333333333 0.60893612230891 32.065 > 11 62 S 0.50316877269426 0.08333333333333 0.60893612230891 32.065 > 11 63 S 0.00316877269426 0.41666666666667 0.60893612230891 32.065 > 11 64 S 0.50316877269426 0.41666666666667 0.60893612230891 32.065 > 11 65 S 0.00316877269426 0.75000000000000 0.60893612230891 32.065 > 11 66 S 0.50316877269426 0.75000000000000 0.60893612230891 32.065 > 11 67 S 0.49683122730574 0.25000000000000 0.39106387769109 32.065 > 12 68 S 0.99683122730574 0.25000000000000 0.39106387769109 32.065 > 12 69 S 0.49683122730574 0.58333333333333 0.39106387769109 32.065 > 12 70 S 0.99683122730574 0.58333333333333 0.39106387769109 32.065 > 12 71 S 0.49683122730574 0.91666666666667 0.39106387769109 32.065 > 12 72 S 0.99683122730574 0.91666666666667 0.39106387769109 32.065 > 12 *73 Dy 0.38336491484337 0.08333333333333 0.45707755372536 162.500 > 13 74 Dy 0.88336491484337 0.08333333333333 0.45707755372536 162.500 > 13 75 Dy 0.38336491484337 0.41666666666667 0.45707755372536 162.500 > 13 76 Dy 0.88336491484337 0.41666666666667 0.45707755372536 162.500 > 13 77 Dy 0.38336491484337 0.75000000000000 0.45707755372536 162.500 > 13 78 Dy 0.88336491484337 0.75000000000000 0.45707755372536 162.500 > 13 79 Dy 0.11663508515663 0.25000000000000 0.54292244627464 162.500 > 14 80 Dy 0.61663508515663 0.25000000000000 0.54292244627464 162.500 > 14 81 Dy 0.11663508515663 0.58333333333333 0.54292244627464 162.500 > 14 82 Dy 0.61663508515663 0.58333333333333 0.54292244627464 162.500 > 14 83 Dy 0.11663508515663 0.91666666666667 0.54292244627464 162.500 > 14 84 Dy 0.61663508515663 0.91666666666667 0.54292244627464 162.500 > 14 85 Dy 0.13336491484337 0.08333333333333 0.04292244627464 162.500 > 15 86 Dy 0.63336491484337 0.08333333333333 0.04292244627464 162.500 > 15 87 Dy 0.13336491484337 0.41666666666667 0.04292244627464 162.500 > 15 88 Dy 0.63336491484337 0.41666666666667 0.04292244627464 162.500 > 15 89 Dy 0.13336491484337 0.75000000000000 0.04292244627464 162.500 > 15 90 Dy 0.63336491484337 0.75000000000000 0.04292244627464 162.500 > 15 91 Dy 0.36663508515663 0.25000000000000 0.95707755372536 162.500 > 16 92 Dy 0.86663508515663 0.25000000000000 0.95707755372536 162.500 > 16 93 Dy 0.36663508515663 0.58333333333333 0.95707755372536 162.500 > 16 94 Dy 0.86663508515663 0.58333333333333 0.95707755372536 162.500 > 16 95 Dy 0.36663508515663 0.91666666666667 0.95707755372536 162.500 > 16 96 Dy 0.86663508515663 0.91666666666667 0.95707755372536 162.500 > 16 *97 Dy 0.42971037983108 0.25000000000000 0.20417642666673 162.500 > 17 98 Dy 0.92971037983108 0.25000000000000 0.20417642666673 162.500 > 17 99 Dy 0.42971037983108 0.58333333333333 0.20417642666673 162.500 > 17 100 Dy 0.92971037983108 0.58333333333333 0.20417642666673 162.500 > 17 101 Dy 0.42971037983108 0.91666666666667 0.20417642666673 162.500 > 17 102 Dy 0.92971037983108 0.91666666666667 0.20417642666673 162.500 > 17 103 Dy 0.07028962016892 0.08333333333333 0.79582357333327 162.500 > 18 104 Dy 0.57028962016892 0.08333333333333 0.79582357333327 162.500 > 18 105 Dy 0.07028962016892 0.41666666666667 0.79582357333327 162.500 > 18 106 Dy 0.57028962016892 0.41666666666667 0.79582357333327 162.500 > 18 107 Dy 0.07028962016892 0.75000000000000 0.79582357333327 162.500 > 18 108 Dy 0.57028962016892 0.75000000000000 0.79582357333327 162.500 > 18 109 Dy 0.17971037983109 0.25000000000000 0.29582357333326 162.500 > 19 110 Dy 0.67971037983109 0.25000000000000 0.29582357333326 162.500 > 19 111 Dy 0.17971037983109 0.58333333333333 0.29582357333326 162.500 > 19 112 Dy 0.67971037983109 0.58333333333333 0.29582357333326 162.500 > 19 113 Dy 0.17971037983109 0.91666666666667 0.29582357333326 162.500 > 19 114 Dy 0.67971037983109 0.91666666666667 0.29582357333326 162.500 > 19 115 Dy 0.32028962016892 0.08333333333333 0.70417642666673 162.500 > 20 116 Dy 0.82028962016892 0.08333333333333 0.70417642666673 162.500 > 20 117 Dy 0.32028962016892 0.41666666666667 0.70417642666673 162.500 > 20 118 Dy 0.82028962016892 0.41666666666667 0.70417642666673 162.500 > 20 119 Dy 0.32028962016892 0.75000000000000 0.70417642666673 162.500 > 20 120 Dy 0.82028962016892 0.75000000000000 0.70417642666673 162.500 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5028566 0.0000000 0.0000000 0.0000000 8.7138356 0.0000000 0.0000000 0.0000000 9.3329516 -------------------------- Born effective charges -------------------------- 1 S -2.5439774 0.0000000 0.3339805 0.0000000 -3.0869179 0.0000000 0.4282258 0.0000000 -2.1648220 2 S -2.5439774 0.0000000 0.3339805 0.0000000 -3.0869179 0.0000000 0.4282258 0.0000000 -2.1648220 3 S -2.5439774 0.0000000 -0.3339805 0.0000000 -3.0869179 0.0000000 -0.4282258 0.0000000 -2.1648220 4 S -2.5439774 0.0000000 -0.3339805 0.0000000 -3.0869179 0.0000000 -0.4282258 0.0000000 -2.1648220 5 S -2.0302277 0.0000000 0.2606723 0.0000000 -3.0435528 0.0000000 0.3765780 0.0000000 -2.8696008 6 S -2.0302277 0.0000000 0.2606723 0.0000000 -3.0435528 0.0000000 0.3765780 0.0000000 -2.8696008 7 S -2.0302277 0.0000000 -0.2606723 0.0000000 -3.0435528 0.0000000 -0.3765780 0.0000000 -2.8696008 8 S -2.0302277 0.0000000 -0.2606723 0.0000000 -3.0435528 0.0000000 -0.3765780 0.0000000 -2.8696008 9 S -2.8186318 0.0000000 0.0664289 0.0000000 -2.2204953 0.0000000 -0.4389787 0.0000000 -2.9312483 10 S -2.8186318 0.0000000 0.0664289 0.0000000 -2.2204953 0.0000000 -0.4389787 0.0000000 -2.9312483 11 S -2.8186318 0.0000000 -0.0664289 0.0000000 -2.2204953 0.0000000 0.4389787 0.0000000 -2.9312483 12 S -2.8186318 0.0000000 -0.0664289 0.0000000 -2.2204953 0.0000000 0.4389787 0.0000000 -2.9312483 13 Dy 3.7906747 0.0000000 0.1507070 0.0000000 3.8528952 0.0000000 -0.3266457 0.0000000 4.0406343 14 Dy 3.7906747 0.0000000 0.1507070 0.0000000 3.8528952 0.0000000 -0.3266457 0.0000000 4.0406343 15 Dy 3.7906747 0.0000000 -0.1507070 0.0000000 3.8528952 0.0000000 0.3266457 0.0000000 4.0406343 16 Dy 3.7906747 0.0000000 -0.1507070 0.0000000 3.8528952 0.0000000 0.3266457 0.0000000 4.0406343 17 Dy 3.6021622 0.0000000 0.0092698 0.0000000 4.4980709 0.0000000 0.1970424 0.0000000 3.9250369 18 Dy 3.6021622 0.0000000 0.0092698 0.0000000 4.4980709 0.0000000 0.1970424 0.0000000 3.9250369 19 Dy 3.6021622 0.0000000 -0.0092698 0.0000000 4.4980709 0.0000000 -0.1970424 0.0000000 3.9250369 20 Dy 3.6021622 0.0000000 -0.0092698 0.0000000 4.4980709 0.0000000 -0.1970424 0.0000000 3.9250369 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.109 Solver_block: 200 / 320 - Time: 2.140 Solver_block: 300 / 320 - Time: 2.141 Solver_block: 320 / 320 - Time: 0.526 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.949 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:02:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:02:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.181937700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.838637799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.957305359999998 Atomic positions (fractional): 1 S 0.64898121393552 0.25000000000000 0.28166661636537 32.065 2 S 0.35101878606448 0.75000000000000 0.71833338363462 32.065 3 S 0.14898121393552 0.25000000000000 0.21833338363463 32.065 4 S 0.85101878606448 0.75000000000000 0.78166661636538 32.065 5 S 0.62352782477646 0.75000000000000 0.56729301975968 32.065 6 S 0.37647217522354 0.25000000000000 0.43270698024032 32.065 7 S 0.12352782477646 0.75000000000000 0.93270698024032 32.065 8 S 0.87647217522354 0.25000000000000 0.06729301975968 32.065 9 S 0.50633754538853 0.25000000000000 0.89106387769109 32.065 10 S 0.49366245461147 0.75000000000000 0.10893612230891 32.065 11 S 0.00633754538853 0.25000000000000 0.60893612230891 32.065 12 S 0.99366245461147 0.75000000000000 0.39106387769109 32.065 13 Dy 0.76672982968674 0.25000000000000 0.45707755372536 162.500 14 Dy 0.23327017031326 0.75000000000000 0.54292244627464 162.500 15 Dy 0.26672982968674 0.25000000000000 0.04292244627464 162.500 16 Dy 0.73327017031326 0.75000000000000 0.95707755372536 162.500 17 Dy 0.85942075966217 0.75000000000000 0.20417642666673 162.500 18 Dy 0.14057924033783 0.25000000000000 0.79582357333327 162.500 19 Dy 0.35942075966217 0.75000000000000 0.29582357333326 162.500 20 Dy 0.64057924033783 0.25000000000000 0.70417642666673 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.363875400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.515913399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.957305359999998 Atomic positions (fractional): 1 S 0.32449060696776 0.08333333333333 0.28166661636537 32.065 > 1 2 S 0.82449060696776 0.08333333333333 0.28166661636537 32.065 > 1 3 S 0.32449060696776 0.41666666666667 0.28166661636537 32.065 > 1 4 S 0.82449060696776 0.41666666666667 0.28166661636537 32.065 > 1 5 S 0.32449060696776 0.75000000000000 0.28166661636537 32.065 > 1 6 S 0.82449060696776 0.75000000000000 0.28166661636537 32.065 > 1 7 S 0.17550939303224 0.25000000000000 0.71833338363462 32.065 > 7 8 S 0.67550939303224 0.25000000000000 0.71833338363462 32.065 > 7 9 S 0.17550939303224 0.58333333333333 0.71833338363462 32.065 > 7 10 S 0.67550939303224 0.58333333333333 0.71833338363462 32.065 > 7 11 S 0.17550939303224 0.91666666666667 0.71833338363462 32.065 > 7 12 S 0.67550939303224 0.91666666666667 0.71833338363462 32.065 > 7 13 S 0.07449060696776 0.08333333333333 0.21833338363463 32.065 > 13 14 S 0.57449060696776 0.08333333333333 0.21833338363463 32.065 > 13 15 S 0.07449060696776 0.41666666666667 0.21833338363463 32.065 > 13 16 S 0.57449060696776 0.41666666666667 0.21833338363463 32.065 > 13 17 S 0.07449060696776 0.75000000000000 0.21833338363463 32.065 > 13 18 S 0.57449060696776 0.75000000000000 0.21833338363463 32.065 > 13 19 S 0.42550939303224 0.25000000000000 0.78166661636538 32.065 > 19 20 S 0.92550939303224 0.25000000000000 0.78166661636538 32.065 > 19 21 S 0.42550939303224 0.58333333333333 0.78166661636538 32.065 > 19 22 S 0.92550939303224 0.58333333333333 0.78166661636538 32.065 > 19 23 S 0.42550939303224 0.91666666666667 0.78166661636538 32.065 > 19 24 S 0.92550939303224 0.91666666666667 0.78166661636538 32.065 > 19 25 S 0.31176391238823 0.25000000000000 0.56729301975968 32.065 > 25 26 S 0.81176391238823 0.25000000000000 0.56729301975968 32.065 > 25 27 S 0.31176391238823 0.58333333333333 0.56729301975968 32.065 > 25 28 S 0.81176391238823 0.58333333333333 0.56729301975968 32.065 > 25 29 S 0.31176391238823 0.91666666666667 0.56729301975968 32.065 > 25 30 S 0.81176391238823 0.91666666666667 0.56729301975968 32.065 > 25 31 S 0.18823608761177 0.08333333333333 0.43270698024032 32.065 > 31 32 S 0.68823608761177 0.08333333333333 0.43270698024032 32.065 > 31 33 S 0.18823608761177 0.41666666666667 0.43270698024032 32.065 > 31 34 S 0.68823608761177 0.41666666666667 0.43270698024032 32.065 > 31 35 S 0.18823608761177 0.75000000000000 0.43270698024032 32.065 > 31 36 S 0.68823608761177 0.75000000000000 0.43270698024032 32.065 > 31 37 S 0.06176391238823 0.25000000000000 0.93270698024032 32.065 > 37 38 S 0.56176391238823 0.25000000000000 0.93270698024032 32.065 > 37 39 S 0.06176391238823 0.58333333333333 0.93270698024032 32.065 > 37 40 S 0.56176391238823 0.58333333333333 0.93270698024032 32.065 > 37 41 S 0.06176391238823 0.91666666666667 0.93270698024032 32.065 > 37 42 S 0.56176391238823 0.91666666666667 0.93270698024032 32.065 > 37 43 S 0.43823608761177 0.08333333333333 0.06729301975968 32.065 > 43 44 S 0.93823608761177 0.08333333333333 0.06729301975968 32.065 > 43 45 S 0.43823608761177 0.41666666666667 0.06729301975968 32.065 > 43 46 S 0.93823608761177 0.41666666666667 0.06729301975968 32.065 > 43 47 S 0.43823608761177 0.75000000000000 0.06729301975968 32.065 > 43 48 S 0.93823608761177 0.75000000000000 0.06729301975968 32.065 > 43 49 S 0.25316877269426 0.08333333333333 0.89106387769109 32.065 > 49 50 S 0.75316877269426 0.08333333333333 0.89106387769109 32.065 > 49 51 S 0.25316877269426 0.41666666666667 0.89106387769109 32.065 > 49 52 S 0.75316877269426 0.41666666666667 0.89106387769109 32.065 > 49 53 S 0.25316877269426 0.75000000000000 0.89106387769109 32.065 > 49 54 S 0.75316877269426 0.75000000000000 0.89106387769109 32.065 > 49 55 S 0.24683122730574 0.25000000000000 0.10893612230891 32.065 > 55 56 S 0.74683122730574 0.25000000000000 0.10893612230891 32.065 > 55 57 S 0.24683122730574 0.58333333333333 0.10893612230891 32.065 > 55 58 S 0.74683122730574 0.58333333333333 0.10893612230891 32.065 > 55 59 S 0.24683122730574 0.91666666666667 0.10893612230891 32.065 > 55 60 S 0.74683122730574 0.91666666666667 0.10893612230891 32.065 > 55 61 S 0.00316877269426 0.08333333333333 0.60893612230891 32.065 > 61 62 S 0.50316877269426 0.08333333333333 0.60893612230891 32.065 > 61 63 S 0.00316877269426 0.41666666666667 0.60893612230891 32.065 > 61 64 S 0.50316877269426 0.41666666666667 0.60893612230891 32.065 > 61 65 S 0.00316877269426 0.75000000000000 0.60893612230891 32.065 > 61 66 S 0.50316877269426 0.75000000000000 0.60893612230891 32.065 > 61 67 S 0.49683122730574 0.25000000000000 0.39106387769109 32.065 > 67 68 S 0.99683122730574 0.25000000000000 0.39106387769109 32.065 > 67 69 S 0.49683122730574 0.58333333333333 0.39106387769109 32.065 > 67 70 S 0.99683122730574 0.58333333333333 0.39106387769109 32.065 > 67 71 S 0.49683122730574 0.91666666666667 0.39106387769109 32.065 > 67 72 S 0.99683122730574 0.91666666666667 0.39106387769109 32.065 > 67 73 Dy 0.38336491484337 0.08333333333333 0.45707755372536 162.500 > 73 74 Dy 0.88336491484337 0.08333333333333 0.45707755372536 162.500 > 73 75 Dy 0.38336491484337 0.41666666666667 0.45707755372536 162.500 > 73 76 Dy 0.88336491484337 0.41666666666667 0.45707755372536 162.500 > 73 77 Dy 0.38336491484337 0.75000000000000 0.45707755372536 162.500 > 73 78 Dy 0.88336491484337 0.75000000000000 0.45707755372536 162.500 > 73 79 Dy 0.11663508515663 0.25000000000000 0.54292244627464 162.500 > 79 80 Dy 0.61663508515663 0.25000000000000 0.54292244627464 162.500 > 79 81 Dy 0.11663508515663 0.58333333333333 0.54292244627464 162.500 > 79 82 Dy 0.61663508515663 0.58333333333333 0.54292244627464 162.500 > 79 83 Dy 0.11663508515663 0.91666666666667 0.54292244627464 162.500 > 79 84 Dy 0.61663508515663 0.91666666666667 0.54292244627464 162.500 > 79 85 Dy 0.13336491484337 0.08333333333333 0.04292244627464 162.500 > 85 86 Dy 0.63336491484337 0.08333333333333 0.04292244627464 162.500 > 85 87 Dy 0.13336491484337 0.41666666666667 0.04292244627464 162.500 > 85 88 Dy 0.63336491484337 0.41666666666667 0.04292244627464 162.500 > 85 89 Dy 0.13336491484337 0.75000000000000 0.04292244627464 162.500 > 85 90 Dy 0.63336491484337 0.75000000000000 0.04292244627464 162.500 > 85 91 Dy 0.36663508515663 0.25000000000000 0.95707755372536 162.500 > 91 92 Dy 0.86663508515663 0.25000000000000 0.95707755372536 162.500 > 91 93 Dy 0.36663508515663 0.58333333333333 0.95707755372536 162.500 > 91 94 Dy 0.86663508515663 0.58333333333333 0.95707755372536 162.500 > 91 95 Dy 0.36663508515663 0.91666666666667 0.95707755372536 162.500 > 91 96 Dy 0.86663508515663 0.91666666666667 0.95707755372536 162.500 > 91 97 Dy 0.42971037983108 0.25000000000000 0.20417642666673 162.500 > 97 98 Dy 0.92971037983108 0.25000000000000 0.20417642666673 162.500 > 97 99 Dy 0.42971037983108 0.58333333333333 0.20417642666673 162.500 > 97 100 Dy 0.92971037983108 0.58333333333333 0.20417642666673 162.500 > 97 101 Dy 0.42971037983108 0.91666666666667 0.20417642666673 162.500 > 97 102 Dy 0.92971037983108 0.91666666666667 0.20417642666673 162.500 > 97 103 Dy 0.07028962016892 0.08333333333333 0.79582357333327 162.500 > 103 104 Dy 0.57028962016892 0.08333333333333 0.79582357333327 162.500 > 103 105 Dy 0.07028962016892 0.41666666666667 0.79582357333327 162.500 > 103 106 Dy 0.57028962016892 0.41666666666667 0.79582357333327 162.500 > 103 107 Dy 0.07028962016892 0.75000000000000 0.79582357333327 162.500 > 103 108 Dy 0.57028962016892 0.75000000000000 0.79582357333327 162.500 > 103 109 Dy 0.17971037983109 0.25000000000000 0.29582357333326 162.500 > 109 110 Dy 0.67971037983109 0.25000000000000 0.29582357333326 162.500 > 109 111 Dy 0.17971037983109 0.58333333333333 0.29582357333326 162.500 > 109 112 Dy 0.67971037983109 0.58333333333333 0.29582357333326 162.500 > 109 113 Dy 0.17971037983109 0.91666666666667 0.29582357333326 162.500 > 109 114 Dy 0.67971037983109 0.91666666666667 0.29582357333326 162.500 > 109 115 Dy 0.32028962016892 0.08333333333333 0.70417642666673 162.500 > 115 116 Dy 0.82028962016892 0.08333333333333 0.70417642666673 162.500 > 115 117 Dy 0.32028962016892 0.41666666666667 0.70417642666673 162.500 > 115 118 Dy 0.82028962016892 0.41666666666667 0.70417642666673 162.500 > 115 119 Dy 0.32028962016892 0.75000000000000 0.70417642666673 162.500 > 115 120 Dy 0.82028962016892 0.75000000000000 0.70417642666673 162.500 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5028566 0.0000000 0.0000000 0.0000000 8.7138356 0.0000000 0.0000000 0.0000000 9.3329516 -------------------------- Born effective charges -------------------------- 1 S -2.5439774 0.0000000 0.3339805 0.0000000 -3.0869179 0.0000000 0.4282258 0.0000000 -2.1648220 2 S -2.5439774 0.0000000 0.3339805 0.0000000 -3.0869179 0.0000000 0.4282258 0.0000000 -2.1648220 3 S -2.5439774 0.0000000 -0.3339805 0.0000000 -3.0869179 0.0000000 -0.4282258 0.0000000 -2.1648220 4 S -2.5439774 0.0000000 -0.3339805 0.0000000 -3.0869179 0.0000000 -0.4282258 0.0000000 -2.1648220 5 S -2.0302277 0.0000000 0.2606723 0.0000000 -3.0435528 0.0000000 0.3765780 0.0000000 -2.8696008 6 S -2.0302277 0.0000000 0.2606723 0.0000000 -3.0435528 0.0000000 0.3765780 0.0000000 -2.8696008 7 S -2.0302277 0.0000000 -0.2606723 0.0000000 -3.0435528 0.0000000 -0.3765780 0.0000000 -2.8696008 8 S -2.0302277 0.0000000 -0.2606723 0.0000000 -3.0435528 0.0000000 -0.3765780 0.0000000 -2.8696008 9 S -2.8186318 0.0000000 0.0664289 0.0000000 -2.2204953 0.0000000 -0.4389787 0.0000000 -2.9312483 10 S -2.8186318 0.0000000 0.0664289 0.0000000 -2.2204953 0.0000000 -0.4389787 0.0000000 -2.9312483 11 S -2.8186318 0.0000000 -0.0664289 0.0000000 -2.2204953 0.0000000 0.4389787 0.0000000 -2.9312483 12 S -2.8186318 0.0000000 -0.0664289 0.0000000 -2.2204953 0.0000000 0.4389787 0.0000000 -2.9312483 13 Dy 3.7906747 0.0000000 0.1507070 0.0000000 3.8528952 0.0000000 -0.3266457 0.0000000 4.0406343 14 Dy 3.7906747 0.0000000 0.1507070 0.0000000 3.8528952 0.0000000 -0.3266457 0.0000000 4.0406343 15 Dy 3.7906747 0.0000000 -0.1507070 0.0000000 3.8528952 0.0000000 0.3266457 0.0000000 4.0406343 16 Dy 3.7906747 0.0000000 -0.1507070 0.0000000 3.8528952 0.0000000 0.3266457 0.0000000 4.0406343 17 Dy 3.6021622 0.0000000 0.0092698 0.0000000 4.4980709 0.0000000 0.1970424 0.0000000 3.9250369 18 Dy 3.6021622 0.0000000 0.0092698 0.0000000 4.4980709 0.0000000 0.1970424 0.0000000 3.9250369 19 Dy 3.6021622 0.0000000 -0.0092698 0.0000000 4.4980709 0.0000000 -0.1970424 0.0000000 3.9250369 20 Dy 3.6021622 0.0000000 -0.0092698 0.0000000 4.4980709 0.0000000 -0.1970424 0.0000000 3.9250369 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:03:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:03:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.181937700000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.838637799999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.957305359999998 Atomic positions (fractional): 1 S 0.64898121393552 0.25000000000000 0.28166661636537 32.065 2 S 0.35101878606448 0.75000000000000 0.71833338363462 32.065 3 S 0.14898121393552 0.25000000000000 0.21833338363463 32.065 4 S 0.85101878606448 0.75000000000000 0.78166661636538 32.065 5 S 0.62352782477646 0.75000000000000 0.56729301975968 32.065 6 S 0.37647217522354 0.25000000000000 0.43270698024032 32.065 7 S 0.12352782477646 0.75000000000000 0.93270698024032 32.065 8 S 0.87647217522354 0.25000000000000 0.06729301975968 32.065 9 S 0.50633754538853 0.25000000000000 0.89106387769109 32.065 10 S 0.49366245461147 0.75000000000000 0.10893612230891 32.065 11 S 0.00633754538853 0.25000000000000 0.60893612230891 32.065 12 S 0.99366245461147 0.75000000000000 0.39106387769109 32.065 13 Dy 0.76672982968674 0.25000000000000 0.45707755372536 162.500 14 Dy 0.23327017031326 0.75000000000000 0.54292244627464 162.500 15 Dy 0.26672982968674 0.25000000000000 0.04292244627464 162.500 16 Dy 0.73327017031326 0.75000000000000 0.95707755372536 162.500 17 Dy 0.85942075966217 0.75000000000000 0.20417642666673 162.500 18 Dy 0.14057924033783 0.25000000000000 0.79582357333327 162.500 19 Dy 0.35942075966217 0.75000000000000 0.29582357333326 162.500 20 Dy 0.64057924033783 0.25000000000000 0.70417642666673 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.363875400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.515913399999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.957305359999998 Atomic positions (fractional): 1 S 0.32449060696776 0.08333333333333 0.28166661636537 32.065 > 1 2 S 0.82449060696776 0.08333333333333 0.28166661636537 32.065 > 1 3 S 0.32449060696776 0.41666666666667 0.28166661636537 32.065 > 1 4 S 0.82449060696776 0.41666666666667 0.28166661636537 32.065 > 1 5 S 0.32449060696776 0.75000000000000 0.28166661636537 32.065 > 1 6 S 0.82449060696776 0.75000000000000 0.28166661636537 32.065 > 1 7 S 0.17550939303224 0.25000000000000 0.71833338363462 32.065 > 7 8 S 0.67550939303224 0.25000000000000 0.71833338363462 32.065 > 7 9 S 0.17550939303224 0.58333333333333 0.71833338363462 32.065 > 7 10 S 0.67550939303224 0.58333333333333 0.71833338363462 32.065 > 7 11 S 0.17550939303224 0.91666666666667 0.71833338363462 32.065 > 7 12 S 0.67550939303224 0.91666666666667 0.71833338363462 32.065 > 7 13 S 0.07449060696776 0.08333333333333 0.21833338363463 32.065 > 13 14 S 0.57449060696776 0.08333333333333 0.21833338363463 32.065 > 13 15 S 0.07449060696776 0.41666666666667 0.21833338363463 32.065 > 13 16 S 0.57449060696776 0.41666666666667 0.21833338363463 32.065 > 13 17 S 0.07449060696776 0.75000000000000 0.21833338363463 32.065 > 13 18 S 0.57449060696776 0.75000000000000 0.21833338363463 32.065 > 13 19 S 0.42550939303224 0.25000000000000 0.78166661636538 32.065 > 19 20 S 0.92550939303224 0.25000000000000 0.78166661636538 32.065 > 19 21 S 0.42550939303224 0.58333333333333 0.78166661636538 32.065 > 19 22 S 0.92550939303224 0.58333333333333 0.78166661636538 32.065 > 19 23 S 0.42550939303224 0.91666666666667 0.78166661636538 32.065 > 19 24 S 0.92550939303224 0.91666666666667 0.78166661636538 32.065 > 19 25 S 0.31176391238823 0.25000000000000 0.56729301975968 32.065 > 25 26 S 0.81176391238823 0.25000000000000 0.56729301975968 32.065 > 25 27 S 0.31176391238823 0.58333333333333 0.56729301975968 32.065 > 25 28 S 0.81176391238823 0.58333333333333 0.56729301975968 32.065 > 25 29 S 0.31176391238823 0.91666666666667 0.56729301975968 32.065 > 25 30 S 0.81176391238823 0.91666666666667 0.56729301975968 32.065 > 25 31 S 0.18823608761177 0.08333333333333 0.43270698024032 32.065 > 31 32 S 0.68823608761177 0.08333333333333 0.43270698024032 32.065 > 31 33 S 0.18823608761177 0.41666666666667 0.43270698024032 32.065 > 31 34 S 0.68823608761177 0.41666666666667 0.43270698024032 32.065 > 31 35 S 0.18823608761177 0.75000000000000 0.43270698024032 32.065 > 31 36 S 0.68823608761177 0.75000000000000 0.43270698024032 32.065 > 31 37 S 0.06176391238823 0.25000000000000 0.93270698024032 32.065 > 37 38 S 0.56176391238823 0.25000000000000 0.93270698024032 32.065 > 37 39 S 0.06176391238823 0.58333333333333 0.93270698024032 32.065 > 37 40 S 0.56176391238823 0.58333333333333 0.93270698024032 32.065 > 37 41 S 0.06176391238823 0.91666666666667 0.93270698024032 32.065 > 37 42 S 0.56176391238823 0.91666666666667 0.93270698024032 32.065 > 37 43 S 0.43823608761177 0.08333333333333 0.06729301975968 32.065 > 43 44 S 0.93823608761177 0.08333333333333 0.06729301975968 32.065 > 43 45 S 0.43823608761177 0.41666666666667 0.06729301975968 32.065 > 43 46 S 0.93823608761177 0.41666666666667 0.06729301975968 32.065 > 43 47 S 0.43823608761177 0.75000000000000 0.06729301975968 32.065 > 43 48 S 0.93823608761177 0.75000000000000 0.06729301975968 32.065 > 43 49 S 0.25316877269426 0.08333333333333 0.89106387769109 32.065 > 49 50 S 0.75316877269426 0.08333333333333 0.89106387769109 32.065 > 49 51 S 0.25316877269426 0.41666666666667 0.89106387769109 32.065 > 49 52 S 0.75316877269426 0.41666666666667 0.89106387769109 32.065 > 49 53 S 0.25316877269426 0.75000000000000 0.89106387769109 32.065 > 49 54 S 0.75316877269426 0.75000000000000 0.89106387769109 32.065 > 49 55 S 0.24683122730574 0.25000000000000 0.10893612230891 32.065 > 55 56 S 0.74683122730574 0.25000000000000 0.10893612230891 32.065 > 55 57 S 0.24683122730574 0.58333333333333 0.10893612230891 32.065 > 55 58 S 0.74683122730574 0.58333333333333 0.10893612230891 32.065 > 55 59 S 0.24683122730574 0.91666666666667 0.10893612230891 32.065 > 55 60 S 0.74683122730574 0.91666666666667 0.10893612230891 32.065 > 55 61 S 0.00316877269426 0.08333333333333 0.60893612230891 32.065 > 61 62 S 0.50316877269426 0.08333333333333 0.60893612230891 32.065 > 61 63 S 0.00316877269426 0.41666666666667 0.60893612230891 32.065 > 61 64 S 0.50316877269426 0.41666666666667 0.60893612230891 32.065 > 61 65 S 0.00316877269426 0.75000000000000 0.60893612230891 32.065 > 61 66 S 0.50316877269426 0.75000000000000 0.60893612230891 32.065 > 61 67 S 0.49683122730574 0.25000000000000 0.39106387769109 32.065 > 67 68 S 0.99683122730574 0.25000000000000 0.39106387769109 32.065 > 67 69 S 0.49683122730574 0.58333333333333 0.39106387769109 32.065 > 67 70 S 0.99683122730574 0.58333333333333 0.39106387769109 32.065 > 67 71 S 0.49683122730574 0.91666666666667 0.39106387769109 32.065 > 67 72 S 0.99683122730574 0.91666666666667 0.39106387769109 32.065 > 67 73 Dy 0.38336491484337 0.08333333333333 0.45707755372536 162.500 > 73 74 Dy 0.88336491484337 0.08333333333333 0.45707755372536 162.500 > 73 75 Dy 0.38336491484337 0.41666666666667 0.45707755372536 162.500 > 73 76 Dy 0.88336491484337 0.41666666666667 0.45707755372536 162.500 > 73 77 Dy 0.38336491484337 0.75000000000000 0.45707755372536 162.500 > 73 78 Dy 0.88336491484337 0.75000000000000 0.45707755372536 162.500 > 73 79 Dy 0.11663508515663 0.25000000000000 0.54292244627464 162.500 > 79 80 Dy 0.61663508515663 0.25000000000000 0.54292244627464 162.500 > 79 81 Dy 0.11663508515663 0.58333333333333 0.54292244627464 162.500 > 79 82 Dy 0.61663508515663 0.58333333333333 0.54292244627464 162.500 > 79 83 Dy 0.11663508515663 0.91666666666667 0.54292244627464 162.500 > 79 84 Dy 0.61663508515663 0.91666666666667 0.54292244627464 162.500 > 79 85 Dy 0.13336491484337 0.08333333333333 0.04292244627464 162.500 > 85 86 Dy 0.63336491484337 0.08333333333333 0.04292244627464 162.500 > 85 87 Dy 0.13336491484337 0.41666666666667 0.04292244627464 162.500 > 85 88 Dy 0.63336491484337 0.41666666666667 0.04292244627464 162.500 > 85 89 Dy 0.13336491484337 0.75000000000000 0.04292244627464 162.500 > 85 90 Dy 0.63336491484337 0.75000000000000 0.04292244627464 162.500 > 85 91 Dy 0.36663508515663 0.25000000000000 0.95707755372536 162.500 > 91 92 Dy 0.86663508515663 0.25000000000000 0.95707755372536 162.500 > 91 93 Dy 0.36663508515663 0.58333333333333 0.95707755372536 162.500 > 91 94 Dy 0.86663508515663 0.58333333333333 0.95707755372536 162.500 > 91 95 Dy 0.36663508515663 0.91666666666667 0.95707755372536 162.500 > 91 96 Dy 0.86663508515663 0.91666666666667 0.95707755372536 162.500 > 91 97 Dy 0.42971037983108 0.25000000000000 0.20417642666673 162.500 > 97 98 Dy 0.92971037983108 0.25000000000000 0.20417642666673 162.500 > 97 99 Dy 0.42971037983108 0.58333333333333 0.20417642666673 162.500 > 97 100 Dy 0.92971037983108 0.58333333333333 0.20417642666673 162.500 > 97 101 Dy 0.42971037983108 0.91666666666667 0.20417642666673 162.500 > 97 102 Dy 0.92971037983108 0.91666666666667 0.20417642666673 162.500 > 97 103 Dy 0.07028962016892 0.08333333333333 0.79582357333327 162.500 > 103 104 Dy 0.57028962016892 0.08333333333333 0.79582357333327 162.500 > 103 105 Dy 0.07028962016892 0.41666666666667 0.79582357333327 162.500 > 103 106 Dy 0.57028962016892 0.41666666666667 0.79582357333327 162.500 > 103 107 Dy 0.07028962016892 0.75000000000000 0.79582357333327 162.500 > 103 108 Dy 0.57028962016892 0.75000000000000 0.79582357333327 162.500 > 103 109 Dy 0.17971037983109 0.25000000000000 0.29582357333326 162.500 > 109 110 Dy 0.67971037983109 0.25000000000000 0.29582357333326 162.500 > 109 111 Dy 0.17971037983109 0.58333333333333 0.29582357333326 162.500 > 109 112 Dy 0.67971037983109 0.58333333333333 0.29582357333326 162.500 > 109 113 Dy 0.17971037983109 0.91666666666667 0.29582357333326 162.500 > 109 114 Dy 0.67971037983109 0.91666666666667 0.29582357333326 162.500 > 109 115 Dy 0.32028962016892 0.08333333333333 0.70417642666673 162.500 > 115 116 Dy 0.82028962016892 0.08333333333333 0.70417642666673 162.500 > 115 117 Dy 0.32028962016892 0.41666666666667 0.70417642666673 162.500 > 115 118 Dy 0.82028962016892 0.41666666666667 0.70417642666673 162.500 > 115 119 Dy 0.32028962016892 0.75000000000000 0.70417642666673 162.500 > 115 120 Dy 0.82028962016892 0.75000000000000 0.70417642666673 162.500 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5028566 0.0000000 0.0000000 0.0000000 8.7138356 0.0000000 0.0000000 0.0000000 9.3329516 -------------------------- Born effective charges -------------------------- 1 S -2.5439774 0.0000000 0.3339805 0.0000000 -3.0869179 0.0000000 0.4282258 0.0000000 -2.1648220 2 S -2.5439774 0.0000000 0.3339805 0.0000000 -3.0869179 0.0000000 0.4282258 0.0000000 -2.1648220 3 S -2.5439774 0.0000000 -0.3339805 0.0000000 -3.0869179 0.0000000 -0.4282258 0.0000000 -2.1648220 4 S -2.5439774 0.0000000 -0.3339805 0.0000000 -3.0869179 0.0000000 -0.4282258 0.0000000 -2.1648220 5 S -2.0302277 0.0000000 0.2606723 0.0000000 -3.0435528 0.0000000 0.3765780 0.0000000 -2.8696008 6 S -2.0302277 0.0000000 0.2606723 0.0000000 -3.0435528 0.0000000 0.3765780 0.0000000 -2.8696008 7 S -2.0302277 0.0000000 -0.2606723 0.0000000 -3.0435528 0.0000000 -0.3765780 0.0000000 -2.8696008 8 S -2.0302277 0.0000000 -0.2606723 0.0000000 -3.0435528 0.0000000 -0.3765780 0.0000000 -2.8696008 9 S -2.8186318 0.0000000 0.0664289 0.0000000 -2.2204953 0.0000000 -0.4389787 0.0000000 -2.9312483 10 S -2.8186318 0.0000000 0.0664289 0.0000000 -2.2204953 0.0000000 -0.4389787 0.0000000 -2.9312483 11 S -2.8186318 0.0000000 -0.0664289 0.0000000 -2.2204953 0.0000000 0.4389787 0.0000000 -2.9312483 12 S -2.8186318 0.0000000 -0.0664289 0.0000000 -2.2204953 0.0000000 0.4389787 0.0000000 -2.9312483 13 Dy 3.7906747 0.0000000 0.1507070 0.0000000 3.8528952 0.0000000 -0.3266457 0.0000000 4.0406343 14 Dy 3.7906747 0.0000000 0.1507070 0.0000000 3.8528952 0.0000000 -0.3266457 0.0000000 4.0406343 15 Dy 3.7906747 0.0000000 -0.1507070 0.0000000 3.8528952 0.0000000 0.3266457 0.0000000 4.0406343 16 Dy 3.7906747 0.0000000 -0.1507070 0.0000000 3.8528952 0.0000000 0.3266457 0.0000000 4.0406343 17 Dy 3.6021622 0.0000000 0.0092698 0.0000000 4.4980709 0.0000000 0.1970424 0.0000000 3.9250369 18 Dy 3.6021622 0.0000000 0.0092698 0.0000000 4.4980709 0.0000000 0.1970424 0.0000000 3.9250369 19 Dy 3.6021622 0.0000000 -0.0092698 0.0000000 4.4980709 0.0000000 -0.1970424 0.0000000 3.9250369 20 Dy 3.6021622 0.0000000 -0.0092698 0.0000000 4.4980709 0.0000000 -0.1970424 0.0000000 3.9250369 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 13 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 305, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 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 1.467 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.923 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.411 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.071 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.602 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.642 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 9.853 ( 0.000 0.000 0.000) 0.000 10.337 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 25.201 0.000 0.000) 25.201 0.555 ( 27.429 0.000 0.000) 27.429 0.864 ( 42.173 0.000 0.000) 42.173 1.486 ( 2.440 0.000 0.000) 2.440 1.557 ( 7.230 0.000 0.000) 7.230 1.704 ( 0.588 0.000 0.000) 0.588 1.774 ( 6.793 0.000 0.000) 6.793 2.135 ( -5.393 0.000 0.000) 5.393 2.354 ( -4.444 0.000 0.000) 4.444 2.358 ( -4.649 0.000 0.000) 4.649 2.367 ( 2.375 0.000 0.000) 2.375 2.434 ( -2.069 0.000 0.000) 2.069 2.524 ( 8.429 0.000 0.000) 8.429 2.678 ( -4.227 0.000 0.000) 4.227 2.715 ( -3.668 0.000 0.000) 3.668 2.749 ( -1.902 0.000 0.000) 1.902 2.916 ( 12.144 0.000 0.000) 12.144 3.126 ( 5.362 0.000 0.000) 5.362 3.455 ( -8.819 0.000 0.000) 8.819 3.489 ( 3.259 0.000 0.000) 3.259 3.645 ( -1.110 0.000 0.000) 1.110 4.190 ( 1.216 0.000 0.000) 1.216 4.266 ( -5.755 0.000 0.000) 5.755 4.355 ( -3.303 0.000 0.000) 3.303 5.236 ( 0.207 0.000 0.000) 0.207 5.642 ( -16.333 0.000 0.000) 16.333 5.775 ( -15.983 0.000 0.000) 15.983 6.016 ( -9.913 0.000 0.000) 9.913 6.124 ( -0.655 0.000 0.000) 0.655 6.166 ( 3.288 0.000 0.000) 3.288 6.191 ( -3.326 0.000 0.000) 3.326 6.195 ( -1.873 0.000 0.000) 1.873 6.236 ( 5.142 0.000 0.000) 5.142 6.490 ( 6.161 0.000 0.000) 6.161 6.541 ( 7.703 0.000 0.000) 7.703 6.554 ( -4.555 0.000 0.000) 4.555 6.579 ( -8.548 0.000 0.000) 8.548 6.815 ( -2.238 0.000 0.000) 2.238 6.940 ( 0.050 0.000 0.000) 0.050 6.949 ( 2.189 0.000 0.000) 2.189 6.993 ( 10.513 0.000 0.000) 10.513 7.120 ( -0.154 0.000 0.000) 0.154 7.138 ( -0.967 0.000 0.000) 0.967 7.175 ( 3.788 0.000 0.000) 3.788 7.237 ( -1.650 0.000 0.000) 1.650 7.512 ( 1.424 0.000 0.000) 1.424 7.624 ( 1.949 0.000 0.000) 1.949 7.654 ( 1.459 0.000 0.000) 1.459 7.680 ( 2.443 0.000 0.000) 2.443 7.778 ( 2.242 0.000 0.000) 2.242 7.827 ( -0.473 0.000 0.000) 0.473 8.141 ( -3.363 0.000 0.000) 3.363 8.683 ( -6.569 0.000 0.000) 6.569 8.823 ( -10.983 0.000 0.000) 10.983 8.916 ( 5.312 0.000 0.000) 5.312 9.311 ( -5.004 0.000 0.000) 5.004 9.763 ( 12.023 0.000 0.000) 12.023 9.988 ( 4.421 0.000 0.000) 4.421 10.335 ( -0.343 0.000 0.000) 0.343 10.347 ( -1.473 0.000 0.000) 1.473 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 21.767 0.000 0.000) 21.767 1.081 ( 25.140 0.000 0.000) 25.140 1.530 ( 11.516 0.000 0.000) 11.516 1.670 ( 24.246 0.000 0.000) 24.246 1.740 ( 10.247 0.000 0.000) 10.247 1.784 ( 7.349 0.000 0.000) 7.349 1.951 ( 10.262 0.000 0.000) 10.262 2.041 ( 0.393 0.000 0.000) 0.393 2.215 ( -9.655 0.000 0.000) 9.655 2.231 ( -7.352 0.000 0.000) 7.352 2.357 ( -4.311 0.000 0.000) 4.311 2.446 ( 4.061 0.000 0.000) 4.061 2.496 ( -5.514 0.000 0.000) 5.514 2.608 ( -7.050 0.000 0.000) 7.050 2.698 ( -3.186 0.000 0.000) 3.186 2.832 ( 11.617 0.000 0.000) 11.617 3.155 ( 5.856 0.000 0.000) 5.856 3.194 ( 4.388 0.000 0.000) 4.388 3.280 ( -5.088 0.000 0.000) 5.088 3.550 ( -7.815 0.000 0.000) 7.815 3.604 ( 6.735 0.000 0.000) 6.735 4.099 ( -11.017 0.000 0.000) 11.017 4.200 ( -0.469 0.000 0.000) 0.469 4.270 ( -4.670 0.000 0.000) 4.670 5.255 ( 2.022 0.000 0.000) 2.022 5.358 ( -11.302 0.000 0.000) 11.302 5.466 ( -13.738 0.000 0.000) 13.738 5.775 ( -13.077 0.000 0.000) 13.077 6.111 ( -0.581 0.000 0.000) 0.581 6.145 ( -0.800 0.000 0.000) 0.800 6.151 ( -2.266 0.000 0.000) 2.266 6.197 ( 0.217 0.000 0.000) 0.217 6.273 ( -0.897 0.000 0.000) 0.897 6.424 ( -7.733 0.000 0.000) 7.733 6.475 ( -1.099 0.000 0.000) 1.099 6.617 ( 6.163 0.000 0.000) 6.163 6.672 ( 3.210 0.000 0.000) 3.210 6.796 ( -0.206 0.000 0.000) 0.206 6.942 ( 0.161 0.000 0.000) 0.161 6.969 ( -0.083 0.000 0.000) 0.083 7.059 ( -1.704 0.000 0.000) 1.704 7.122 ( 0.389 0.000 0.000) 0.389 7.153 ( 4.716 0.000 0.000) 4.716 7.199 ( -2.058 0.000 0.000) 2.058 7.364 ( 10.485 0.000 0.000) 10.485 7.535 ( 1.081 0.000 0.000) 1.081 7.667 ( 2.149 0.000 0.000) 2.149 7.686 ( 1.500 0.000 0.000) 1.500 7.686 ( -0.681 0.000 0.000) 0.681 7.784 ( -3.779 0.000 0.000) 3.779 7.886 ( 6.635 0.000 0.000) 6.635 8.055 ( -4.648 0.000 0.000) 4.648 8.543 ( -6.874 0.000 0.000) 6.874 8.614 ( -8.623 0.000 0.000) 8.623 9.024 ( 5.332 0.000 0.000) 5.332 9.247 ( -2.511 0.000 0.000) 2.511 9.960 ( 8.220 0.000 0.000) 8.220 10.101 ( 6.087 0.000 0.000) 6.087 10.301 ( -3.176 0.000 0.000) 3.176 10.320 ( -1.299 0.000 0.000) 1.299 ======================= Grid point 3 (4/56) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 17.135 0.000 0.000) 17.135 1.542 ( 20.890 0.000 0.000) 20.890 1.631 ( -4.601 0.000 0.000) 4.601 1.793 ( 2.636 0.000 0.000) 2.636 1.864 ( -6.168 0.000 0.000) 6.168 1.900 ( -1.116 0.000 0.000) 1.116 2.044 ( 0.154 0.000 0.000) 0.154 2.117 ( 1.987 0.000 0.000) 1.987 2.143 ( 2.980 0.000 0.000) 2.980 2.267 ( -1.919 0.000 0.000) 1.919 2.289 ( 1.737 0.000 0.000) 1.737 2.441 ( -9.367 0.000 0.000) 9.367 2.536 ( 4.673 0.000 0.000) 4.673 2.571 ( 24.031 0.000 0.000) 24.031 2.625 ( -4.112 0.000 0.000) 4.112 2.971 ( 4.711 0.000 0.000) 4.711 3.009 ( -13.481 0.000 0.000) 13.481 3.157 ( -14.939 0.000 0.000) 14.939 3.403 ( 14.117 0.000 0.000) 14.117 3.518 ( 3.954 0.000 0.000) 3.954 3.699 ( 2.598 0.000 0.000) 2.598 3.842 ( -13.416 0.000 0.000) 13.416 4.181 ( -0.735 0.000 0.000) 0.735 4.196 ( -2.372 0.000 0.000) 2.372 5.217 ( -2.680 0.000 0.000) 2.680 5.250 ( -5.597 0.000 0.000) 5.597 5.349 ( 5.899 0.000 0.000) 5.899 5.526 ( -11.279 0.000 0.000) 11.279 6.102 ( -0.085 0.000 0.000) 0.085 6.114 ( -1.302 0.000 0.000) 1.302 6.172 ( 3.402 0.000 0.000) 3.402 6.200 ( 0.785 0.000 0.000) 0.785 6.234 ( -2.322 0.000 0.000) 2.322 6.275 ( -6.718 0.000 0.000) 6.718 6.524 ( 5.117 0.000 0.000) 5.117 6.638 ( -5.221 0.000 0.000) 5.221 6.724 ( 4.320 0.000 0.000) 4.320 6.783 ( -1.594 0.000 0.000) 1.594 6.947 ( 0.355 0.000 0.000) 0.355 6.958 ( -0.745 0.000 0.000) 0.745 7.100 ( 4.377 0.000 0.000) 4.377 7.135 ( 0.991 0.000 0.000) 0.991 7.161 ( -1.613 0.000 0.000) 1.613 7.174 ( -2.087 0.000 0.000) 2.087 7.525 ( 4.323 0.000 0.000) 4.323 7.551 ( 0.286 0.000 0.000) 0.286 7.690 ( 1.086 0.000 0.000) 1.086 7.700 ( 1.029 0.000 0.000) 1.029 7.706 ( 0.437 0.000 0.000) 0.437 7.716 ( -2.021 0.000 0.000) 2.021 7.976 ( 1.602 0.000 0.000) 1.602 7.987 ( -1.472 0.000 0.000) 1.472 8.449 ( -1.486 0.000 0.000) 1.486 8.486 ( -4.474 0.000 0.000) 4.474 9.120 ( 4.256 0.000 0.000) 4.256 9.193 ( -3.086 0.000 0.000) 3.086 10.105 ( 6.500 0.000 0.000) 6.500 10.208 ( 4.537 0.000 0.000) 4.537 10.220 ( -4.955 0.000 0.000) 4.955 10.280 ( -2.743 0.000 0.000) 2.743 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 25.991 0.000) 25.991 0.563 ( 0.000 27.799 0.000) 27.799 0.966 ( 0.000 47.508 0.000) 47.508 1.539 ( 0.000 7.082 0.000) 7.082 1.564 ( 0.000 8.048 0.000) 8.048 1.697 ( 0.000 0.373 0.000) 0.373 1.749 ( 0.000 3.567 0.000) 3.567 2.233 ( 0.000 -4.195 0.000) 4.195 2.275 ( 0.000 7.552 0.000) 7.552 2.430 ( 0.000 2.494 0.000) 2.494 2.522 ( 0.000 11.295 0.000) 11.295 2.579 ( 0.000 12.146 0.000) 12.146 2.600 ( 0.000 11.424 0.000) 11.424 2.754 ( 0.000 1.099 0.000) 1.099 2.796 ( 0.000 2.684 0.000) 2.684 2.870 ( 0.000 10.032 0.000) 10.032 2.874 ( 0.000 8.783 0.000) 8.783 3.045 ( 0.000 2.600 0.000) 2.600 3.416 ( 0.000 -3.455 0.000) 3.455 3.571 ( 0.000 -1.182 0.000) 1.182 3.592 ( 0.000 -2.401 0.000) 2.401 4.114 ( 0.000 -5.793 0.000) 5.793 4.263 ( 0.000 -6.015 0.000) 6.015 4.334 ( 0.000 -5.430 0.000) 5.430 5.263 ( 0.000 2.804 0.000) 2.804 5.633 ( 0.000 -9.494 0.000) 9.494 5.857 ( 0.000 -5.214 0.000) 5.214 5.944 ( 0.000 -5.042 0.000) 5.042 6.004 ( 0.000 -3.853 0.000) 3.853 6.026 ( 0.000 -6.368 0.000) 6.368 6.248 ( 0.000 -0.433 0.000) 0.433 6.331 ( 0.000 4.654 0.000) 4.654 6.390 ( 0.000 2.404 0.000) 2.404 6.519 ( 0.000 8.821 0.000) 8.821 6.532 ( 0.000 15.382 0.000) 15.382 6.593 ( 0.000 -8.053 0.000) 8.053 6.632 ( 0.000 1.410 0.000) 1.410 6.669 ( 0.000 -4.836 0.000) 4.836 6.897 ( 0.000 -6.543 0.000) 6.543 7.001 ( 0.000 8.008 0.000) 8.008 7.055 ( 0.000 11.061 0.000) 11.061 7.067 ( 0.000 8.342 0.000) 8.342 7.088 ( 0.000 0.902 0.000) 0.902 7.157 ( 0.000 4.784 0.000) 4.784 7.302 ( 0.000 6.888 0.000) 6.888 7.545 ( 0.000 5.316 0.000) 5.316 7.608 ( 0.000 -2.713 0.000) 2.713 7.639 ( 0.000 2.531 0.000) 2.531 7.662 ( 0.000 2.807 0.000) 2.807 7.762 ( 0.000 -0.625 0.000) 0.625 8.038 ( 0.000 2.659 0.000) 2.659 8.770 ( 0.000 -0.529 0.000) 0.529 8.793 ( 0.000 -3.862 0.000) 3.862 8.914 ( 0.000 -3.627 0.000) 3.627 9.103 ( 0.000 1.150 0.000) 1.150 9.442 ( 0.000 -0.751 0.000) 0.751 9.482 ( 0.000 0.875 0.000) 0.875 9.823 ( 0.000 -2.722 0.000) 2.722 10.299 ( 0.000 -3.671 0.000) 3.671 10.318 ( 0.000 -4.250 0.000) 4.250 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.14 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 15.980 17.525 0.000) 23.717 0.729 ( 16.771 17.773 0.000) 24.436 1.344 ( 28.513 35.406 0.000) 45.460 1.553 ( 2.414 6.518 0.000) 6.951 1.640 ( 7.206 7.958 0.000) 10.736 1.749 ( 1.034 4.231 0.000) 4.355 1.785 ( 7.903 1.484 0.000) 8.041 2.138 ( -5.665 -0.157 0.000) 5.667 2.381 ( -4.916 2.934 0.000) 5.725 2.385 ( 6.305 3.519 0.000) 7.221 2.477 ( -4.533 10.559 0.000) 11.491 2.556 ( -2.435 11.789 0.000) 12.038 2.612 ( -0.970 6.067 0.000) 6.144 2.727 ( -3.242 1.070 0.000) 3.414 2.778 ( -1.605 3.030 0.000) 3.429 2.793 ( -0.949 11.290 0.000) 11.330 2.987 ( 10.253 7.051 0.000) 12.444 3.148 ( 5.276 3.053 0.000) 6.096 3.443 ( -8.129 -1.116 0.000) 8.206 3.457 ( 4.778 -2.489 0.000) 5.387 3.634 ( -0.396 -1.101 0.000) 1.170 4.127 ( 0.937 -6.119 0.000) 6.190 4.212 ( -5.056 -5.330 0.000) 7.346 4.305 ( -2.946 -5.029 0.000) 5.828 5.258 ( -0.311 2.299 0.000) 2.320 5.589 ( -11.079 -4.243 0.000) 11.863 5.729 ( -2.589 -14.106 0.000) 14.342 5.745 ( -13.555 -2.079 0.000) 13.714 6.086 ( -0.363 -2.978 0.000) 3.000 6.090 ( 3.534 -4.232 0.000) 5.513 6.263 ( -5.815 -0.591 0.000) 5.845 6.280 ( 2.290 3.544 0.000) 4.220 6.381 ( -3.875 6.569 0.000) 7.627 6.464 ( 4.796 2.538 0.000) 5.426 6.474 ( -6.268 0.032 0.000) 6.268 6.626 ( -1.146 2.702 0.000) 2.935 6.658 ( 5.801 9.814 0.000) 11.400 6.808 ( 7.600 -6.716 0.000) 10.142 6.879 ( -2.552 -10.094 0.000) 10.411 6.953 ( -3.202 8.491 0.000) 9.074 7.040 ( -0.658 9.768 0.000) 9.790 7.112 ( 2.857 3.673 0.000) 4.653 7.143 ( 5.391 -0.248 0.000) 5.397 7.151 ( 0.262 5.748 0.000) 5.754 7.354 ( 3.654 6.110 0.000) 7.119 7.531 ( -1.606 1.327 0.000) 2.084 7.646 ( 0.675 2.777 0.000) 2.858 7.651 ( 3.409 -0.343 0.000) 3.426 7.710 ( 3.917 2.452 0.000) 4.621 7.809 ( 4.764 3.215 0.000) 5.748 7.991 ( -4.146 2.907 0.000) 5.064 8.549 ( -24.623 18.139 0.000) 30.583 8.654 ( -6.896 -2.631 0.000) 7.381 8.866 ( -12.033 5.285 0.000) 13.142 8.896 ( 5.619 -1.772 0.000) 5.892 9.298 ( -5.716 -0.944 0.000) 5.793 9.708 ( 12.695 -3.913 0.000) 13.285 9.945 ( 6.508 -3.591 0.000) 7.433 10.296 ( -0.375 -3.727 0.000) 3.745 10.304 ( -1.402 -4.161 0.000) 4.391 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.29 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 18.570 10.046 0.000) 21.113 1.104 ( 24.196 5.404 0.000) 24.792 1.621 ( 5.542 7.012 0.000) 8.938 1.817 ( 8.883 6.365 0.000) 10.928 1.832 ( 8.097 5.335 0.000) 9.697 1.876 ( 10.068 14.754 0.000) 17.862 1.985 ( 11.940 2.996 0.000) 12.310 2.092 ( 11.677 8.317 0.000) 14.336 2.233 ( -10.091 3.446 0.000) 10.663 2.352 ( -7.314 9.429 0.000) 11.933 2.463 ( -2.532 8.742 0.000) 9.101 2.496 ( -1.518 5.224 0.000) 5.440 2.548 ( -0.617 6.174 0.000) 6.205 2.624 ( -6.930 1.451 0.000) 7.080 2.736 ( -2.550 3.964 0.000) 4.713 2.880 ( 5.523 3.955 0.000) 6.793 3.172 ( 1.391 1.414 0.000) 1.984 3.237 ( 6.535 4.946 0.000) 8.196 3.309 ( -0.620 3.170 0.000) 3.230 3.556 ( -7.015 0.605 0.000) 7.041 3.595 ( 7.436 -0.488 0.000) 7.452 4.067 ( -9.447 -3.116 0.000) 9.948 4.135 ( -0.332 -6.262 0.000) 6.271 4.225 ( -4.542 -4.426 0.000) 6.342 5.263 ( 1.191 0.989 0.000) 1.548 5.357 ( -9.781 0.173 0.000) 9.783 5.474 ( -12.394 1.119 0.000) 12.444 5.639 ( -7.104 -10.448 0.000) 12.634 6.058 ( -1.329 -3.222 0.000) 3.485 6.138 ( -1.529 -5.116 0.000) 5.340 6.158 ( -0.901 -1.418 0.000) 1.680 6.220 ( -4.114 7.151 0.000) 8.250 6.356 ( -5.254 0.809 0.000) 5.316 6.395 ( 0.086 5.835 0.000) 5.835 6.570 ( 5.353 -0.654 0.000) 5.393 6.602 ( -1.346 6.401 0.000) 6.541 6.719 ( -1.063 1.479 0.000) 1.821 6.857 ( -1.622 4.206 0.000) 4.508 6.869 ( 4.375 -7.540 0.000) 8.718 6.957 ( 2.525 0.176 0.000) 2.531 7.032 ( -0.161 8.565 0.000) 8.566 7.124 ( -0.084 0.013 0.000) 0.085 7.205 ( 2.908 4.695 0.000) 5.523 7.253 ( 3.200 1.699 0.000) 3.623 7.431 ( 4.896 3.473 0.000) 6.003 7.489 ( -1.961 -3.486 0.000) 4.000 7.674 ( 2.088 4.248 0.000) 4.733 7.696 ( 0.283 3.641 0.000) 3.652 7.778 ( 2.917 3.777 0.000) 4.772 7.919 ( -1.623 2.990 0.000) 3.402 7.933 ( 6.358 5.034 0.000) 8.110 8.188 ( -13.227 13.596 0.000) 18.969 8.513 ( -6.828 -2.705 0.000) 7.344 8.637 ( -9.877 2.685 0.000) 10.235 9.005 ( 5.205 -1.787 0.000) 5.503 9.227 ( -2.624 -1.729 0.000) 3.143 9.918 ( 8.659 -3.835 0.000) 9.470 10.068 ( 5.931 -3.095 0.000) 6.690 10.260 ( -3.062 -3.989 0.000) 5.028 10.281 ( -1.308 -3.750 0.000) 3.972 ======================= Grid point 10 (8/56) ======================= q-point: ( 0.43 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 15.591 6.082 0.000) 16.735 1.570 ( 21.130 3.317 0.000) 21.388 1.682 ( -4.431 4.964 0.000) 6.654 1.851 ( 1.884 5.309 0.000) 5.633 1.928 ( -0.300 4.287 0.000) 4.298 1.952 ( -13.094 6.280 0.000) 14.522 2.050 ( 7.186 2.048 0.000) 7.473 2.169 ( 3.537 3.384 0.000) 4.896 2.264 ( 1.327 10.072 0.000) 10.159 2.319 ( 0.512 3.526 0.000) 3.563 2.370 ( -6.113 9.651 0.000) 11.425 2.460 ( -9.211 1.796 0.000) 9.385 2.581 ( 7.337 5.864 0.000) 9.392 2.675 ( -3.643 4.966 0.000) 6.159 2.715 ( 21.734 12.427 0.000) 25.036 2.956 ( 4.110 -1.247 0.000) 4.296 3.042 ( -8.619 1.863 0.000) 8.818 3.192 ( -17.315 4.713 0.000) 17.945 3.446 ( 11.836 4.122 0.000) 12.534 3.529 ( 3.840 1.436 0.000) 4.100 3.704 ( 3.544 0.803 0.000) 3.634 3.847 ( -11.614 0.497 0.000) 11.625 4.124 ( -0.178 -5.582 0.000) 5.585 4.149 ( -2.756 -4.704 0.000) 5.452 5.235 ( -2.186 1.856 0.000) 2.868 5.268 ( -4.551 1.649 0.000) 4.841 5.341 ( 3.739 -0.027 0.000) 3.739 5.476 ( -8.364 -4.126 0.000) 9.327 6.048 ( 0.372 -4.789 0.000) 4.803 6.074 ( -2.308 -5.470 0.000) 5.937 6.174 ( -0.415 4.847 0.000) 4.864 6.183 ( -0.016 3.460 0.000) 3.460 6.295 ( 0.317 -1.967 0.000) 1.992 6.350 ( -3.641 3.074 0.000) 4.765 6.587 ( 0.260 6.597 0.000) 6.602 6.612 ( -1.429 0.851 0.000) 1.663 6.736 ( 4.028 0.691 0.000) 4.087 6.813 ( -3.008 2.383 0.000) 3.838 6.977 ( 3.342 -1.217 0.000) 3.556 6.986 ( 0.720 2.471 0.000) 2.574 7.045 ( 2.737 4.044 0.000) 4.883 7.115 ( -1.910 -0.072 0.000) 1.911 7.229 ( 0.336 3.591 0.000) 3.606 7.254 ( -1.726 4.696 0.000) 5.004 7.480 ( 1.111 -4.295 0.000) 4.436 7.503 ( 0.340 -2.347 0.000) 2.371 7.699 ( 1.532 6.064 0.000) 6.255 7.714 ( 1.067 6.030 0.000) 6.123 7.843 ( 4.440 5.722 0.000) 7.242 7.942 ( 2.154 8.505 0.000) 8.774 7.979 ( -7.278 3.269 0.000) 7.979 8.004 ( -0.290 3.958 0.000) 3.968 8.425 ( -0.733 -1.941 0.000) 2.075 8.483 ( -5.676 0.147 0.000) 5.678 9.099 ( 4.192 -2.016 0.000) 4.652 9.172 ( -3.164 -1.966 0.000) 3.725 10.067 ( 6.557 -3.637 0.000) 7.498 10.172 ( 4.369 -3.472 0.000) 5.580 10.181 ( -4.865 -3.752 0.000) 6.144 10.242 ( -2.683 -3.703 0.000) 4.572 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 24.055 0.000) 24.055 1.105 ( 0.000 25.923 0.000) 25.923 1.710 ( 0.000 13.095 0.000) 13.095 1.756 ( 0.000 5.927 0.000) 5.927 1.784 ( 0.000 13.356 0.000) 13.356 1.851 ( 0.000 6.400 0.000) 6.400 1.912 ( 0.000 42.551 0.000) 42.551 2.203 ( 0.000 1.265 0.000) 1.265 2.394 ( 0.000 4.327 0.000) 4.327 2.478 ( 0.000 2.127 0.000) 2.127 2.776 ( 0.000 4.924 0.000) 4.924 2.779 ( 0.000 9.328 0.000) 9.328 2.785 ( 0.000 1.547 0.000) 1.547 2.905 ( 0.000 17.176 0.000) 17.176 2.911 ( 0.000 12.603 0.000) 12.603 3.125 ( 0.000 15.539 0.000) 15.539 3.163 ( 0.000 16.956 0.000) 16.956 3.176 ( 0.000 11.438 0.000) 11.438 3.345 ( 0.000 -0.450 0.000) 0.450 3.528 ( 0.000 -3.630 0.000) 3.630 3.536 ( 0.000 -2.275 0.000) 2.275 3.948 ( 0.000 -10.590 0.000) 10.590 4.093 ( 0.000 -10.663 0.000) 10.663 4.173 ( 0.000 -10.558 0.000) 10.558 5.355 ( 0.000 6.470 0.000) 6.470 5.470 ( 0.000 -6.156 0.000) 6.156 5.750 ( 0.000 -5.139 0.000) 5.139 5.877 ( 0.000 -1.660 0.000) 1.660 5.896 ( 0.000 -6.510 0.000) 6.510 5.927 ( 0.000 -3.311 0.000) 3.311 6.241 ( 0.000 -9.507 0.000) 9.507 6.255 ( 0.000 1.439 0.000) 1.439 6.421 ( 0.000 1.382 0.000) 1.382 6.523 ( 0.000 -6.518 0.000) 6.518 6.593 ( 0.000 3.644 0.000) 3.644 6.702 ( 0.000 1.908 0.000) 1.908 6.740 ( 0.000 6.463 0.000) 6.463 6.761 ( 0.000 -2.124 0.000) 2.124 6.808 ( 0.000 11.785 0.000) 11.785 7.116 ( 0.000 2.470 0.000) 2.470 7.134 ( 0.000 0.585 0.000) 0.585 7.171 ( 0.000 8.498 0.000) 8.498 7.331 ( 0.000 14.166 0.000) 14.166 7.347 ( 0.000 11.021 0.000) 11.021 7.454 ( 0.000 7.811 0.000) 7.811 7.543 ( 0.000 -3.037 0.000) 3.037 7.670 ( 0.000 5.925 0.000) 5.925 7.691 ( 0.000 3.307 0.000) 3.307 7.747 ( 0.000 4.438 0.000) 4.438 7.759 ( 0.000 1.264 0.000) 1.264 8.095 ( 0.000 2.967 0.000) 2.967 8.699 ( 0.000 -4.912 0.000) 4.912 8.765 ( 0.000 0.249 0.000) 0.249 8.810 ( 0.000 -6.583 0.000) 6.583 9.138 ( 0.000 2.391 0.000) 2.391 9.431 ( 0.000 -0.375 0.000) 0.375 9.498 ( 0.000 0.831 0.000) 0.831 9.756 ( 0.000 -3.703 0.000) 3.703 10.197 ( 0.000 -6.331 0.000) 6.331 10.200 ( 0.000 -7.235 0.000) 7.235 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.14 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 4.195 24.001 0.000) 24.365 1.131 ( 9.114 21.019 0.000) 22.910 1.728 ( 1.985 10.245 0.000) 10.436 1.852 ( 8.312 6.400 0.000) 10.491 1.853 ( 6.011 12.387 0.000) 13.769 1.862 ( 2.122 7.088 0.000) 7.399 2.107 ( 15.220 37.244 0.000) 40.234 2.151 ( -2.037 3.130 0.000) 3.735 2.445 ( -3.426 3.043 0.000) 4.582 2.459 ( 4.896 3.163 0.000) 5.829 2.709 ( -6.395 8.917 0.000) 10.973 2.732 ( -3.600 5.272 0.000) 6.384 2.755 ( -3.243 1.830 0.000) 3.724 2.873 ( -3.223 16.843 0.000) 17.149 2.903 ( -0.994 11.597 0.000) 11.640 3.040 ( -5.016 10.519 0.000) 11.653 3.187 ( 4.978 11.764 0.000) 12.774 3.297 ( 4.740 13.577 0.000) 14.381 3.420 ( -4.994 -0.350 0.000) 5.006 3.433 ( 8.511 2.060 0.000) 8.757 3.603 ( 1.462 -1.890 0.000) 2.389 3.954 ( 0.570 -10.774 0.000) 10.790 4.063 ( -2.862 -9.083 0.000) 9.523 4.155 ( -1.931 -9.861 0.000) 10.048 5.337 ( -1.561 5.726 0.000) 5.935 5.477 ( 0.291 -6.876 0.000) 6.882 5.552 ( -11.608 -3.601 0.000) 12.154 5.721 ( -10.070 0.009 0.000) 10.070 6.013 ( 3.805 -3.144 0.000) 4.936 6.035 ( 3.977 -2.622 0.000) 4.763 6.146 ( -6.278 -7.425 0.000) 9.724 6.290 ( 5.651 -0.718 0.000) 5.697 6.427 ( -0.628 1.046 0.000) 1.220 6.579 ( -3.023 6.283 0.000) 6.972 6.637 ( -5.107 10.421 0.000) 11.605 6.648 ( 3.875 -4.136 0.000) 5.668 6.691 ( 5.732 -1.296 0.000) 5.876 6.703 ( -4.720 -7.016 0.000) 8.456 6.899 ( 3.484 11.520 0.000) 12.035 7.105 ( -2.996 2.464 0.000) 3.879 7.135 ( 3.691 0.400 0.000) 3.713 7.150 ( -1.597 4.913 0.000) 5.167 7.299 ( -1.993 13.446 0.000) 13.593 7.322 ( -1.741 8.708 0.000) 8.880 7.496 ( 2.505 7.963 0.000) 8.348 7.559 ( -5.519 2.059 0.000) 5.891 7.629 ( 7.164 -1.783 0.000) 7.383 7.731 ( 1.317 4.886 0.000) 5.061 7.770 ( 3.488 3.626 0.000) 5.032 7.899 ( 8.784 5.007 0.000) 10.111 8.040 ( -5.060 2.514 0.000) 5.651 8.594 ( -6.720 -2.703 0.000) 7.243 8.662 ( -13.070 -1.578 0.000) 13.165 8.858 ( 5.554 -1.697 0.000) 5.808 9.002 ( -11.351 6.026 0.000) 12.852 9.291 ( -7.836 0.417 0.000) 7.847 9.642 ( 10.193 -2.545 0.000) 10.506 9.861 ( 6.861 -4.551 0.000) 8.233 10.186 ( -1.181 -7.092 0.000) 7.190 10.195 ( -0.461 -6.387 0.000) 6.404 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.29 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 15.833 15.351 0.000) 22.053 1.358 ( 12.824 15.440 0.000) 20.071 1.795 ( 4.366 9.990 0.000) 10.903 1.935 ( 5.991 6.322 0.000) 8.709 2.012 ( 7.953 10.650 0.000) 13.292 2.037 ( 0.736 5.690 0.000) 5.738 2.054 ( 4.297 3.961 0.000) 5.844 2.333 ( -8.237 5.663 0.000) 9.996 2.448 ( 6.274 15.027 0.000) 16.284 2.551 ( -8.163 8.741 0.000) 11.960 2.562 ( 9.244 9.105 0.000) 12.975 2.658 ( -6.379 1.868 0.000) 6.647 2.712 ( 5.417 11.219 0.000) 12.458 2.780 ( -5.713 16.109 0.000) 17.092 2.868 ( -2.529 9.363 0.000) 9.699 2.967 ( -2.081 5.683 0.000) 6.052 3.193 ( -5.458 0.428 0.000) 5.475 3.411 ( 7.276 12.365 0.000) 14.347 3.431 ( 5.506 9.400 0.000) 10.894 3.578 ( -3.693 1.618 0.000) 4.032 3.612 ( 8.362 2.981 0.000) 8.877 3.964 ( 0.241 -10.340 0.000) 10.343 3.984 ( -5.063 -4.833 0.000) 6.999 4.094 ( -4.083 -8.571 0.000) 9.494 5.308 ( -0.932 3.820 0.000) 3.932 5.357 ( -7.266 -1.639 0.000) 7.448 5.469 ( -1.418 -3.806 0.000) 4.062 5.523 ( -9.124 3.918 0.000) 9.929 6.026 ( -2.492 -0.043 0.000) 2.493 6.026 ( -3.318 -5.076 0.000) 6.064 6.098 ( 3.054 -3.333 0.000) 4.520 6.352 ( -5.254 4.366 0.000) 6.831 6.426 ( 1.281 0.026 0.000) 1.281 6.442 ( -8.006 5.358 0.000) 9.634 6.590 ( 1.491 -6.301 0.000) 6.475 6.652 ( 2.348 2.922 0.000) 3.749 6.702 ( 2.269 3.383 0.000) 4.074 6.859 ( 6.223 -2.250 0.000) 6.618 6.930 ( 0.575 8.689 0.000) 8.708 7.036 ( -2.787 3.847 0.000) 4.751 7.122 ( -0.564 0.732 0.000) 0.924 7.254 ( 1.846 8.462 0.000) 8.661 7.274 ( 3.978 3.940 0.000) 5.599 7.301 ( -0.776 3.775 0.000) 3.854 7.474 ( -2.253 3.569 0.000) 4.221 7.514 ( -1.278 5.885 0.000) 6.022 7.768 ( 5.801 1.577 0.000) 6.012 7.783 ( 3.575 5.264 0.000) 6.363 7.829 ( 2.556 2.292 0.000) 3.434 7.938 ( -3.663 1.406 0.000) 3.924 8.058 ( 6.359 5.724 0.000) 8.555 8.381 ( -13.646 3.600 0.000) 14.113 8.463 ( -5.771 -0.947 0.000) 5.848 8.746 ( -12.627 7.902 0.000) 14.896 8.961 ( 4.824 -2.251 0.000) 5.323 9.192 ( -3.374 -1.402 0.000) 3.653 9.828 ( 8.214 -4.728 0.000) 9.477 9.985 ( 5.504 -5.007 0.000) 7.441 10.148 ( -2.699 -6.865 0.000) 7.376 10.178 ( -1.300 -6.263 0.000) 6.396 ======================= Grid point 17 (12/56) ======================= q-point: ( 0.43 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 12.030 10.773 0.000) 16.149 1.689 ( 17.993 8.335 0.000) 19.830 1.823 ( -4.175 8.838 0.000) 9.775 1.984 ( 2.857 7.528 0.000) 8.051 2.034 ( -3.701 6.491 0.000) 7.472 2.073 ( -7.602 4.663 0.000) 8.919 2.165 ( 2.558 9.000 0.000) 9.356 2.231 ( 4.764 3.523 0.000) 5.925 2.407 ( -2.255 4.989 0.000) 5.475 2.479 ( 0.919 8.997 0.000) 9.044 2.515 ( -6.044 4.496 0.000) 7.533 2.608 ( -6.463 11.245 0.000) 12.970 2.725 ( 3.102 5.813 0.000) 6.589 2.803 ( -3.916 6.220 0.000) 7.350 2.951 ( 5.403 4.333 0.000) 6.926 3.047 ( 16.534 18.644 0.000) 24.919 3.061 ( -6.583 1.676 0.000) 6.793 3.363 ( -12.586 11.250 0.000) 16.881 3.564 ( 6.577 7.840 0.000) 10.233 3.595 ( 3.523 5.590 0.000) 6.608 3.746 ( 5.328 3.537 0.000) 6.395 3.864 ( -6.682 1.183 0.000) 6.786 3.968 ( 0.664 -9.433 0.000) 9.457 4.010 ( -3.613 -8.763 0.000) 9.479 5.274 ( -1.014 0.991 0.000) 1.418 5.294 ( -1.418 1.156 0.000) 1.829 5.398 ( -1.924 6.045 0.000) 6.344 5.425 ( -2.698 1.030 0.000) 2.888 5.980 ( -1.053 -3.381 0.000) 3.541 5.983 ( -1.347 -1.507 0.000) 2.022 6.186 ( 5.479 -4.011 0.000) 6.790 6.272 ( -2.054 1.625 0.000) 2.619 6.311 ( -4.434 4.513 0.000) 6.327 6.325 ( -6.792 -0.481 0.000) 6.809 6.693 ( 4.180 3.211 0.000) 5.271 6.728 ( 0.174 6.122 0.000) 6.124 6.745 ( 6.039 0.880 0.000) 6.103 6.855 ( -4.603 1.656 0.000) 4.892 6.955 ( 2.599 1.305 0.000) 2.908 7.014 ( -1.778 -0.156 0.000) 1.784 7.160 ( 3.771 2.189 0.000) 4.361 7.220 ( -2.373 9.753 0.000) 10.038 7.286 ( 0.906 3.993 0.000) 4.094 7.346 ( -1.888 5.190 0.000) 5.522 7.475 ( 1.054 4.065 0.000) 4.200 7.479 ( -0.129 0.530 0.000) 0.545 7.842 ( 1.866 6.005 0.000) 6.288 7.848 ( 1.576 5.810 0.000) 6.020 7.886 ( 3.838 0.256 0.000) 3.847 7.923 ( 0.822 -1.374 0.000) 1.601 8.113 ( -0.669 3.714 0.000) 3.774 8.158 ( -7.670 4.815 0.000) 9.056 8.418 ( 2.370 3.175 0.000) 3.962 8.534 ( -8.485 6.004 0.000) 10.394 9.050 ( 4.109 -2.509 0.000) 4.814 9.126 ( -3.514 -2.223 0.000) 4.158 9.970 ( 6.240 -5.672 0.000) 8.432 10.077 ( -4.475 -6.332 0.000) 7.753 10.078 ( 3.897 -5.633 0.000) 6.849 10.141 ( -2.461 -6.080 0.000) 6.559 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 21.026 0.000) 21.026 1.587 ( 0.000 21.764 0.000) 21.764 1.929 ( 0.000 10.912 0.000) 10.912 1.961 ( 0.000 12.493 0.000) 12.493 1.997 ( 0.000 7.969 0.000) 7.969 2.075 ( 0.000 15.004 0.000) 15.004 2.248 ( 0.000 4.097 0.000) 4.097 2.470 ( 0.000 3.552 0.000) 3.552 2.518 ( 0.000 1.986 0.000) 1.986 2.716 ( 0.000 24.755 0.000) 24.755 2.798 ( 0.000 -0.524 0.000) 0.524 2.852 ( 0.000 13.553 0.000) 13.553 2.874 ( 0.000 2.759 0.000) 2.759 3.033 ( 0.000 -5.007 0.000) 5.007 3.277 ( 0.000 20.083 0.000) 20.083 3.399 ( 0.000 2.880 0.000) 2.880 3.407 ( 0.000 14.703 0.000) 14.703 3.463 ( 0.000 14.362 0.000) 14.362 3.482 ( 0.000 -2.839 0.000) 2.839 3.514 ( 0.000 10.042 0.000) 10.042 3.673 ( 0.000 24.662 0.000) 24.662 3.712 ( 0.000 -10.830 0.000) 10.830 3.853 ( 0.000 -12.466 0.000) 12.466 3.922 ( 0.000 -14.078 0.000) 14.078 5.390 ( 0.000 -2.025 0.000) 2.025 5.519 ( 0.000 9.731 0.000) 9.731 5.655 ( 0.000 -4.363 0.000) 4.363 5.779 ( 0.000 -4.677 0.000) 4.677 5.868 ( 0.000 0.415 0.000) 0.415 5.886 ( 0.000 -0.644 0.000) 0.644 6.070 ( 0.000 -6.721 0.000) 6.721 6.310 ( 0.000 4.070 0.000) 4.070 6.406 ( 0.000 -4.955 0.000) 4.955 6.454 ( 0.000 1.879 0.000) 1.879 6.598 ( 0.000 -8.165 0.000) 8.165 6.637 ( 0.000 0.727 0.000) 0.727 6.705 ( 0.000 -1.628 0.000) 1.628 6.928 ( 0.000 5.398 0.000) 5.398 7.004 ( 0.000 7.596 0.000) 7.596 7.112 ( 0.000 -2.877 0.000) 2.877 7.217 ( 0.000 7.755 0.000) 7.755 7.323 ( 0.000 6.186 0.000) 6.186 7.431 ( 0.000 -3.058 0.000) 3.058 7.502 ( 0.000 2.680 0.000) 2.680 7.603 ( 0.000 6.841 0.000) 6.841 7.613 ( 0.000 7.824 0.000) 7.824 7.774 ( 0.000 4.580 0.000) 4.580 7.774 ( 0.000 6.567 0.000) 6.567 7.820 ( 0.000 3.050 0.000) 3.050 7.839 ( 0.000 5.225 0.000) 5.225 8.173 ( 0.000 5.391 0.000) 5.391 8.623 ( 0.000 -1.972 0.000) 1.972 8.662 ( 0.000 -7.705 0.000) 7.705 8.787 ( 0.000 1.976 0.000) 1.976 9.195 ( 0.000 3.085 0.000) 3.085 9.423 ( 0.000 -0.616 0.000) 0.616 9.518 ( 0.000 1.223 0.000) 1.223 9.686 ( 0.000 -3.028 0.000) 3.028 10.041 ( 0.000 -8.284 0.000) 8.284 10.057 ( 0.000 -7.360 0.000) 7.360 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.14 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 5.386 19.679 0.000) 20.403 1.578 ( 0.460 20.987 0.000) 20.992 1.941 ( 1.931 10.865 0.000) 11.035 2.008 ( 1.402 7.671 0.000) 7.798 2.032 ( 5.944 11.016 0.000) 12.517 2.127 ( 4.859 13.989 0.000) 14.809 2.219 ( -2.575 4.649 0.000) 5.314 2.498 ( -2.086 2.306 0.000) 3.109 2.518 ( 3.704 2.899 0.000) 4.704 2.731 ( -0.598 9.241 0.000) 9.261 2.758 ( -3.829 -0.550 0.000) 3.868 2.829 ( -4.562 3.401 0.000) 5.690 2.908 ( 5.070 20.735 0.000) 21.346 3.009 ( -0.093 2.622 0.000) 2.623 3.216 ( -6.324 15.368 0.000) 16.618 3.299 ( -6.066 13.997 0.000) 15.255 3.303 ( -5.157 -0.042 0.000) 5.158 3.555 ( 3.445 4.865 0.000) 5.961 3.566 ( 5.002 6.894 0.000) 8.518 3.591 ( 7.146 12.678 0.000) 14.553 3.671 ( 0.566 14.442 0.000) 14.453 3.734 ( 1.950 -2.447 0.000) 3.129 3.874 ( 1.728 -8.318 0.000) 8.496 3.919 ( -0.415 -13.283 0.000) 13.289 5.367 ( -2.933 -3.754 0.000) 4.764 5.486 ( -2.971 8.937 0.000) 9.418 5.527 ( -4.794 0.587 0.000) 4.830 5.749 ( -6.436 2.754 0.000) 7.000 5.966 ( 10.190 -4.297 0.000) 11.058 5.968 ( 2.649 -1.539 0.000) 3.063 6.027 ( -2.417 -3.910 0.000) 4.597 6.300 ( 0.275 2.104 0.000) 2.122 6.454 ( -1.136 1.477 0.000) 1.864 6.524 ( 9.517 -5.973 0.000) 11.236 6.550 ( -3.961 -7.151 0.000) 8.174 6.663 ( -3.795 1.106 0.000) 3.953 6.691 ( 4.473 -0.014 0.000) 4.473 6.832 ( -5.732 7.501 0.000) 9.440 7.068 ( -3.282 -3.926 0.000) 5.117 7.083 ( 5.156 5.036 0.000) 7.207 7.187 ( -1.688 6.311 0.000) 6.533 7.284 ( -4.060 5.851 0.000) 7.122 7.439 ( -4.803 2.431 0.000) 5.383 7.496 ( 2.209 4.132 0.000) 4.685 7.594 ( 3.345 0.351 0.000) 3.363 7.647 ( -4.401 6.657 0.000) 7.980 7.665 ( 2.694 7.254 0.000) 7.739 7.824 ( 1.943 4.357 0.000) 4.770 7.853 ( 1.713 4.468 0.000) 4.785 7.975 ( 8.524 2.090 0.000) 8.777 8.114 ( -5.248 5.643 0.000) 7.706 8.578 ( -3.420 1.623 0.000) 3.786 8.582 ( -7.826 -5.465 0.000) 9.545 8.839 ( 4.151 0.040 0.000) 4.151 9.101 ( -7.953 4.361 0.000) 9.070 9.309 ( -7.926 1.100 0.000) 8.002 9.606 ( 6.813 -1.061 0.000) 6.895 9.770 ( 5.838 -4.343 0.000) 7.276 10.030 ( -1.051 -8.142 0.000) 8.210 10.054 ( -0.345 -7.380 0.000) 7.388 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.29 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 8.052 16.479 0.000) 18.341 1.683 ( 8.242 16.411 0.000) 18.364 2.001 ( 3.695 10.207 0.000) 10.855 2.066 ( 4.524 6.527 0.000) 7.942 2.155 ( -3.531 6.143 0.000) 7.085 2.179 ( 8.318 8.452 0.000) 11.858 2.232 ( 4.031 10.990 0.000) 11.706 2.432 ( -4.521 3.994 0.000) 6.032 2.566 ( 0.124 3.396 0.000) 3.398 2.656 ( -5.500 1.379 0.000) 5.670 2.692 ( -2.309 1.482 0.000) 2.744 2.710 ( -6.534 3.887 0.000) 7.603 2.894 ( -3.376 0.890 0.000) 3.492 3.038 ( -10.432 3.414 0.000) 10.976 3.157 ( 3.468 19.276 0.000) 19.586 3.213 ( 5.166 18.775 0.000) 19.473 3.236 ( -2.390 6.529 0.000) 6.952 3.604 ( 0.737 -0.196 0.000) 0.763 3.666 ( 1.798 2.404 0.000) 3.002 3.674 ( 5.713 13.561 0.000) 14.715 3.742 ( 4.364 14.258 0.000) 14.911 3.792 ( 4.138 0.699 0.000) 4.196 3.882 ( -2.213 -6.905 0.000) 7.251 3.916 ( 0.708 -5.117 0.000) 5.166 5.294 ( -2.854 -2.353 0.000) 3.699 5.419 ( -3.530 7.140 0.000) 7.965 5.499 ( 0.685 4.438 0.000) 4.491 5.632 ( -5.038 6.864 0.000) 8.514 5.955 ( -1.593 -1.794 0.000) 2.399 6.046 ( 2.727 -1.716 0.000) 3.222 6.049 ( -1.710 1.929 0.000) 2.578 6.362 ( -7.053 -3.137 0.000) 7.719 6.414 ( 10.895 -4.833 0.000) 11.918 6.472 ( -4.534 0.648 0.000) 4.580 6.515 ( -7.991 1.423 0.000) 8.117 6.724 ( 7.000 -1.203 0.000) 7.103 6.770 ( 0.249 6.364 0.000) 6.369 6.827 ( 8.444 -0.738 0.000) 8.477 7.012 ( -1.945 -4.132 0.000) 4.567 7.101 ( -3.432 7.551 0.000) 8.294 7.175 ( -6.527 2.273 0.000) 6.911 7.257 ( 8.407 -0.653 0.000) 8.432 7.377 ( -0.092 4.703 0.000) 4.704 7.462 ( -4.309 6.873 0.000) 8.112 7.604 ( -0.646 7.293 0.000) 7.321 7.674 ( -1.283 7.978 0.000) 8.080 7.736 ( 6.710 -3.314 0.000) 7.484 7.845 ( 1.043 1.668 0.000) 1.967 7.899 ( 1.988 3.911 0.000) 4.387 8.011 ( -3.548 5.791 0.000) 6.792 8.104 ( 3.802 -0.893 0.000) 3.906 8.381 ( -11.289 -2.025 0.000) 11.469 8.525 ( -0.971 6.992 0.000) 7.059 8.904 ( -11.064 7.177 0.000) 13.188 8.927 ( 4.414 -0.971 0.000) 4.520 9.184 ( -4.762 0.663 0.000) 4.808 9.740 ( 6.302 -3.850 0.000) 7.385 9.877 ( 4.701 -5.543 0.000) 7.268 9.998 ( -2.199 -7.768 0.000) 8.074 10.040 ( -1.134 -7.261 0.000) 7.349 ======================= Grid point 24 (16/56) ======================= q-point: ( 0.43 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 7.995 12.511 0.000) 14.847 1.879 ( 11.837 9.898 0.000) 15.430 2.021 ( -2.633 10.476 0.000) 10.802 2.132 ( 3.109 6.840 0.000) 7.514 2.160 ( 1.901 4.521 0.000) 4.904 2.182 ( -9.401 7.414 0.000) 11.973 2.333 ( 4.929 6.706 0.000) 8.322 2.344 ( -1.787 8.037 0.000) 8.234 2.514 ( -2.583 5.556 0.000) 6.127 2.580 ( -6.459 4.360 0.000) 7.793 2.643 ( 5.000 4.840 0.000) 6.959 2.698 ( 3.135 -2.084 0.000) 3.764 2.794 ( -6.495 2.865 0.000) 7.099 2.839 ( -8.754 -2.103 0.000) 9.003 3.147 ( 1.210 11.904 0.000) 11.965 3.189 ( -2.408 10.104 0.000) 10.387 3.436 ( 10.278 17.639 0.000) 20.415 3.576 ( -3.811 6.379 0.000) 7.431 3.715 ( 3.322 -3.697 0.000) 4.970 3.764 ( 2.040 9.350 0.000) 9.570 3.796 ( 1.245 9.293 0.000) 9.376 3.813 ( -3.492 -4.420 0.000) 5.633 3.873 ( 3.172 4.783 0.000) 5.739 3.914 ( -1.079 2.281 0.000) 2.523 5.282 ( 1.634 1.120 0.000) 1.981 5.344 ( -3.962 4.104 0.000) 5.704 5.524 ( 1.534 7.421 0.000) 7.577 5.559 ( -2.329 9.423 0.000) 9.707 5.946 ( 0.833 0.099 0.000) 0.839 5.987 ( -3.136 1.798 0.000) 3.615 6.113 ( 4.186 -2.743 0.000) 5.004 6.220 ( -6.547 -3.244 0.000) 7.307 6.383 ( -3.105 2.843 0.000) 4.210 6.386 ( -3.744 2.460 0.000) 4.480 6.651 ( 11.440 -4.694 0.000) 12.365 6.808 ( -0.874 1.352 0.000) 1.610 6.821 ( 3.848 4.802 0.000) 6.153 6.869 ( -2.109 -0.365 0.000) 2.140 7.011 ( -3.759 0.440 0.000) 3.785 7.018 ( -4.012 3.765 0.000) 5.502 7.140 ( 8.907 -2.145 0.000) 9.162 7.333 ( -8.570 2.106 0.000) 8.825 7.428 ( 7.279 0.807 0.000) 7.324 7.433 ( 4.571 8.178 0.000) 9.369 7.578 ( -2.841 4.423 0.000) 5.257 7.585 ( -5.655 9.613 0.000) 11.153 7.852 ( 4.435 -2.154 0.000) 4.931 7.902 ( 4.612 2.280 0.000) 5.145 7.910 ( -0.771 0.204 0.000) 0.798 7.984 ( -1.160 4.863 0.000) 5.000 8.127 ( -0.356 -0.519 0.000) 0.629 8.178 ( -7.509 -0.800 0.000) 7.551 8.562 ( 4.633 9.516 0.000) 10.584 8.699 ( -8.914 9.056 0.000) 12.707 9.013 ( 4.300 -0.872 0.000) 4.387 9.098 ( -4.200 -0.324 0.000) 4.212 9.853 ( 5.064 -5.733 0.000) 7.649 9.940 ( -3.646 -6.993 0.000) 7.886 9.956 ( 3.243 -6.402 0.000) 7.177 10.008 ( -2.089 -6.959 0.000) 7.266 ======================= Grid point 28 (17/56) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 17.130 0.000) 17.130 1.958 ( 0.000 14.927 0.000) 14.927 2.163 ( 0.000 8.393 0.000) 8.393 2.172 ( 0.000 12.731 0.000) 12.731 2.192 ( 0.000 9.897 0.000) 9.897 2.347 ( 0.000 5.808 0.000) 5.808 2.365 ( 0.000 13.577 0.000) 13.577 2.538 ( 0.000 3.105 0.000) 3.105 2.558 ( 0.000 1.980 0.000) 1.980 2.758 ( 0.000 -3.549 0.000) 3.549 2.768 ( 0.000 -2.162 0.000) 2.162 2.887 ( 0.000 -7.590 0.000) 7.590 2.917 ( 0.000 1.769 0.000) 1.769 3.357 ( 0.000 -2.870 0.000) 2.870 3.369 ( 0.000 -10.758 0.000) 10.758 3.387 ( 0.000 -5.314 0.000) 5.314 3.438 ( 0.000 22.046 0.000) 22.046 3.537 ( 0.000 -12.822 0.000) 12.822 3.624 ( 0.000 -11.046 0.000) 11.046 3.699 ( 0.000 15.820 0.000) 15.820 3.699 ( 0.000 13.130 0.000) 13.130 3.862 ( 0.000 14.065 0.000) 14.065 3.898 ( 0.000 21.299 0.000) 21.299 4.157 ( 0.000 22.348 0.000) 22.348 5.376 ( 0.000 0.277 0.000) 0.277 5.575 ( 0.000 -3.613 0.000) 3.613 5.725 ( 0.000 -0.430 0.000) 0.430 5.726 ( 0.000 10.001 0.000) 10.001 5.876 ( 0.000 -0.078 0.000) 0.078 5.903 ( 0.000 2.527 0.000) 2.527 5.993 ( 0.000 -0.736 0.000) 0.736 6.332 ( 0.000 -2.249 0.000) 2.249 6.413 ( 0.000 5.940 0.000) 5.940 6.425 ( 0.000 -8.780 0.000) 8.780 6.499 ( 0.000 2.341 0.000) 2.341 6.631 ( 0.000 -1.114 0.000) 1.114 6.647 ( 0.000 -3.679 0.000) 3.679 6.986 ( 0.000 1.322 0.000) 1.322 7.019 ( 0.000 -6.203 0.000) 6.203 7.098 ( 0.000 1.434 0.000) 1.434 7.379 ( 0.000 -1.135 0.000) 1.135 7.381 ( 0.000 7.304 0.000) 7.304 7.402 ( 0.000 1.427 0.000) 1.427 7.477 ( 0.000 -3.693 0.000) 3.693 7.696 ( 0.000 1.038 0.000) 1.038 7.718 ( 0.000 4.210 0.000) 4.210 7.845 ( 0.000 2.596 0.000) 2.596 7.898 ( 0.000 4.672 0.000) 4.672 7.908 ( 0.000 4.618 0.000) 4.618 7.938 ( 0.000 5.086 0.000) 5.086 8.312 ( 0.000 7.670 0.000) 7.670 8.522 ( 0.000 -5.673 0.000) 5.673 8.634 ( 0.000 2.998 0.000) 2.998 8.835 ( 0.000 2.447 0.000) 2.447 9.254 ( 0.000 2.606 0.000) 2.606 9.405 ( 0.000 -1.183 0.000) 1.183 9.547 ( 0.000 1.526 0.000) 1.526 9.639 ( 0.000 -1.692 0.000) 1.692 9.881 ( 0.000 -7.281 0.000) 7.281 9.913 ( 0.000 -6.737 0.000) 6.737 ======================= Grid point 29 (18/56) ======================= q-point: ( 0.14 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 3.433 16.327 0.000) 16.684 1.940 ( -1.112 14.822 0.000) 14.863 2.159 ( 0.528 10.462 0.000) 10.475 2.162 ( 0.343 7.679 0.000) 7.686 2.255 ( 4.253 10.114 0.000) 10.972 2.329 ( -1.414 6.576 0.000) 6.727 2.396 ( 2.741 12.463 0.000) 12.761 2.541 ( -1.741 1.988 0.000) 2.643 2.571 ( 2.399 2.173 0.000) 3.237 2.718 ( -3.602 -3.418 0.000) 4.965 2.761 ( -1.109 -1.231 0.000) 1.657 2.873 ( -0.727 -5.655 0.000) 5.702 2.884 ( -3.527 2.239 0.000) 4.178 3.233 ( -8.419 -3.974 0.000) 9.310 3.308 ( -5.433 -11.848 0.000) 13.034 3.420 ( -4.433 -0.901 0.000) 4.523 3.488 ( 2.520 -5.637 0.000) 6.174 3.494 ( 5.271 22.138 0.000) 22.757 3.643 ( 1.681 -12.966 0.000) 13.074 3.728 ( 1.746 10.895 0.000) 11.034 3.796 ( 6.844 10.993 0.000) 12.949 3.912 ( 1.791 19.701 0.000) 19.783 3.918 ( 4.745 12.871 0.000) 13.718 4.146 ( -1.047 21.472 0.000) 21.498 5.328 ( -3.341 -0.209 0.000) 3.348 5.564 ( 0.750 2.709 0.000) 2.810 5.675 ( -3.979 9.105 0.000) 9.936 5.829 ( -2.686 5.390 0.000) 6.022 5.874 ( 11.245 -4.445 0.000) 12.092 5.945 ( 1.365 -0.456 0.000) 1.439 6.000 ( 1.029 0.717 0.000) 1.255 6.348 ( -5.399 -1.753 0.000) 5.676 6.413 ( -2.122 -0.847 0.000) 2.285 6.423 ( 8.191 -3.923 0.000) 9.082 6.508 ( 1.071 2.235 0.000) 2.478 6.635 ( -0.661 -2.664 0.000) 2.745 6.687 ( 4.165 -1.041 0.000) 4.293 6.932 ( -4.069 2.867 0.000) 4.977 6.967 ( -3.812 -5.900 0.000) 7.024 7.133 ( 3.556 0.831 0.000) 3.652 7.335 ( -3.852 6.589 0.000) 7.632 7.345 ( -6.586 -0.029 0.000) 6.586 7.453 ( -0.414 -0.352 0.000) 0.543 7.478 ( 7.854 -2.503 0.000) 8.243 7.650 ( -3.737 2.425 0.000) 4.455 7.752 ( 2.093 1.803 0.000) 2.763 7.776 ( -4.119 5.387 0.000) 6.781 7.897 ( -0.814 2.820 0.000) 2.935 7.945 ( 2.233 4.431 0.000) 4.962 7.995 ( 4.529 0.915 0.000) 4.621 8.265 ( -4.224 8.429 0.000) 9.428 8.478 ( -4.589 -4.144 0.000) 6.183 8.654 ( 1.647 5.376 0.000) 5.623 8.857 ( 2.332 1.515 0.000) 2.781 9.182 ( -6.281 3.609 0.000) 7.244 9.327 ( -6.064 0.618 0.000) 6.095 9.595 ( 3.895 -0.163 0.000) 3.898 9.692 ( 4.047 -3.292 0.000) 5.217 9.873 ( -0.804 -7.171 0.000) 7.216 9.910 ( -0.372 -6.806 0.000) 6.816 ======================= Grid point 30 (19/56) ======================= q-point: ( 0.29 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.913 12.335 0.000) 12.675 1.994 ( 4.971 14.005 0.000) 14.861 2.191 ( 2.612 5.883 0.000) 6.437 2.195 ( 2.766 8.846 0.000) 9.269 2.283 ( -2.352 6.398 0.000) 6.817 2.364 ( 5.692 9.231 0.000) 10.845 2.434 ( -1.417 8.247 0.000) 8.368 2.497 ( -1.814 2.938 0.000) 3.453 2.610 ( 1.662 0.218 0.000) 1.676 2.644 ( -2.237 -1.811 0.000) 2.879 2.699 ( -4.853 0.761 0.000) 4.912 2.788 ( -5.411 3.566 0.000) 6.481 2.876 ( -0.221 -1.547 0.000) 1.562 3.020 ( -11.940 -2.557 0.000) 12.211 3.211 ( -2.571 -10.171 0.000) 10.491 3.387 ( 0.201 5.485 0.000) 5.489 3.487 ( -1.771 -11.206 0.000) 11.345 3.589 ( 2.289 12.984 0.000) 13.184 3.718 ( 4.993 -5.718 0.000) 7.591 3.756 ( 2.100 12.406 0.000) 12.582 3.928 ( 6.041 9.419 0.000) 11.190 3.972 ( 3.607 14.877 0.000) 15.308 4.010 ( 3.800 12.680 0.000) 13.237 4.119 ( -1.591 18.864 0.000) 18.931 5.292 ( 0.325 2.203 0.000) 2.227 5.583 ( -5.503 8.777 0.000) 10.360 5.607 ( 3.263 5.894 0.000) 6.737 5.786 ( -1.512 8.107 0.000) 8.247 5.957 ( 0.535 1.772 0.000) 1.851 6.029 ( 1.736 -0.055 0.000) 1.737 6.071 ( 5.338 -1.069 0.000) 5.444 6.235 ( -4.716 -6.193 0.000) 7.784 6.379 ( 1.082 0.310 0.000) 1.125 6.503 ( -4.337 -2.156 0.000) 4.844 6.510 ( -1.628 2.158 0.000) 2.703 6.688 ( 9.363 -1.654 0.000) 9.508 6.801 ( 6.737 -2.402 0.000) 7.153 6.878 ( -0.347 4.339 0.000) 4.353 6.911 ( -1.820 -5.629 0.000) 5.916 7.198 ( -6.914 0.536 0.000) 6.934 7.223 ( -3.892 4.254 0.000) 5.766 7.249 ( 4.723 0.324 0.000) 4.734 7.468 ( 2.541 3.214 0.000) 4.097 7.534 ( -7.615 -0.351 0.000) 7.623 7.650 ( 8.110 -2.742 0.000) 8.561 7.707 ( -3.655 2.533 0.000) 4.447 7.780 ( 0.066 1.104 0.000) 1.106 7.871 ( -0.766 0.765 0.000) 1.083 7.977 ( 0.771 4.348 0.000) 4.416 8.082 ( 3.700 -0.127 0.000) 3.703 8.170 ( -4.591 9.296 0.000) 10.368 8.345 ( -8.243 -0.792 0.000) 8.281 8.690 ( 2.120 8.373 0.000) 8.637 8.925 ( 4.247 0.719 0.000) 4.308 9.030 ( -8.450 5.526 0.000) 10.096 9.210 ( -5.376 1.607 0.000) 5.611 9.675 ( 3.925 -2.656 0.000) 4.739 9.770 ( 3.505 -4.972 0.000) 6.083 9.849 ( -1.639 -6.823 0.000) 7.017 9.897 ( -0.971 -6.826 0.000) 6.895 ======================= Grid point 31 (20/56) ======================= q-point: ( 0.43 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 7.072 7.675 0.000) 10.436 2.089 ( 4.045 10.648 0.000) 11.391 2.221 ( -2.662 8.670 0.000) 9.070 2.242 ( 0.142 3.602 0.000) 3.605 2.259 ( 2.737 6.212 0.000) 6.789 2.320 ( -6.574 5.758 0.000) 8.739 2.466 ( -0.651 3.908 0.000) 3.962 2.470 ( 2.725 5.350 0.000) 6.004 2.602 ( -1.137 1.898 0.000) 2.213 2.663 ( -1.741 3.140 0.000) 3.591 2.670 ( 3.793 2.397 0.000) 4.487 2.705 ( 1.763 2.426 0.000) 2.998 2.800 ( -9.325 -0.367 0.000) 9.332 2.813 ( -5.620 -0.729 0.000) 5.667 3.242 ( 4.713 -6.314 0.000) 7.879 3.346 ( -4.735 -0.274 0.000) 4.743 3.496 ( 3.039 -4.059 0.000) 5.070 3.567 ( -3.290 4.417 0.000) 5.508 3.803 ( 2.812 1.580 0.000) 3.225 3.811 ( 1.992 9.354 0.000) 9.564 4.019 ( 2.734 9.371 0.000) 9.761 4.028 ( 1.587 11.350 0.000) 11.460 4.061 ( 1.514 14.394 0.000) 14.474 4.088 ( -1.463 15.975 0.000) 16.042 5.344 ( 4.604 5.113 0.000) 6.880 5.459 ( -6.510 7.244 0.000) 9.740 5.684 ( 4.158 7.979 0.000) 8.997 5.754 ( -2.419 9.419 0.000) 9.724 5.982 ( 2.211 3.270 0.000) 3.948 6.047 ( -4.020 3.729 0.000) 5.483 6.076 ( 3.263 -1.094 0.000) 3.442 6.156 ( -4.272 -3.403 0.000) 5.462 6.412 ( -2.430 0.405 0.000) 2.464 6.422 ( -2.128 0.972 0.000) 2.339 6.552 ( 9.948 -4.664 0.000) 10.988 6.754 ( -8.519 -5.764 0.000) 10.286 6.877 ( 7.668 0.949 0.000) 7.726 6.916 ( 3.016 4.638 0.000) 5.532 7.008 ( 3.742 -1.635 0.000) 4.084 7.083 ( -7.420 2.570 0.000) 7.852 7.125 ( 4.583 1.133 0.000) 4.720 7.335 ( -10.931 -1.637 0.000) 11.052 7.418 ( 8.527 -1.052 0.000) 8.591 7.561 ( 2.470 4.283 0.000) 4.944 7.607 ( -2.651 -1.492 0.000) 3.042 7.725 ( -5.848 2.759 0.000) 6.466 7.790 ( 5.576 -4.124 0.000) 6.935 7.864 ( -1.522 -3.340 0.000) 3.670 8.011 ( 4.028 7.302 0.000) 8.339 8.104 ( -2.856 7.399 0.000) 7.931 8.130 ( 1.210 1.086 0.000) 1.626 8.183 ( -6.542 1.978 0.000) 6.834 8.752 ( 4.363 8.848 0.000) 9.866 8.869 ( -7.291 7.651 0.000) 10.569 9.016 ( 4.729 0.964 0.000) 4.826 9.111 ( -4.778 1.318 0.000) 4.956 9.748 ( 3.374 -4.658 0.000) 5.752 9.808 ( -2.560 -6.046 0.000) 6.566 9.829 ( 2.486 -6.025 0.000) 6.517 9.870 ( -1.675 -6.597 0.000) 6.807 ======================= Grid point 35 (21/56) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 0.000 12.490 0.000) 12.490 2.193 ( 0.000 9.093 0.000) 9.093 2.332 ( 0.000 8.529 0.000) 8.529 2.336 ( 0.000 4.568 0.000) 4.568 2.398 ( 0.000 8.512 0.000) 8.512 2.478 ( 0.000 6.587 0.000) 6.587 2.589 ( 0.000 2.702 0.000) 2.702 2.590 ( 0.000 2.108 0.000) 2.108 2.610 ( 0.000 8.124 0.000) 8.124 2.665 ( 0.000 -4.635 0.000) 4.635 2.697 ( 0.000 -4.949 0.000) 4.949 2.775 ( 0.000 -2.677 0.000) 2.677 2.949 ( 0.000 1.515 0.000) 1.515 3.106 ( 0.000 -11.725 0.000) 11.725 3.221 ( 0.000 -11.110 0.000) 11.110 3.266 ( 0.000 -10.842 0.000) 10.842 3.322 ( 0.000 -2.868 0.000) 2.868 3.415 ( 0.000 -6.785 0.000) 6.785 3.802 ( 0.000 12.637 0.000) 12.637 3.913 ( 0.000 7.904 0.000) 7.904 4.023 ( 0.000 13.584 0.000) 13.584 4.114 ( 0.000 10.095 0.000) 10.095 4.341 ( 0.000 20.505 0.000) 20.505 4.534 ( 0.000 14.538 0.000) 14.538 5.390 ( 0.000 1.054 0.000) 1.054 5.510 ( 0.000 -2.919 0.000) 2.919 5.767 ( 0.000 4.426 0.000) 4.426 5.861 ( 0.000 3.067 0.000) 3.067 5.874 ( 0.000 0.258 0.000) 0.258 6.008 ( 0.000 7.176 0.000) 7.176 6.018 ( 0.000 2.470 0.000) 2.470 6.243 ( 0.000 -9.297 0.000) 9.297 6.321 ( 0.000 1.318 0.000) 1.318 6.533 ( 0.000 5.548 0.000) 5.548 6.552 ( 0.000 2.856 0.000) 2.856 6.584 ( 0.000 -1.858 0.000) 1.858 6.595 ( 0.000 -2.616 0.000) 2.616 6.874 ( 0.000 -8.039 0.000) 8.039 6.999 ( 0.000 0.158 0.000) 0.158 7.071 ( 0.000 -3.115 0.000) 3.115 7.389 ( 0.000 -2.172 0.000) 2.172 7.392 ( 0.000 -4.131 0.000) 4.131 7.393 ( 0.000 2.004 0.000) 2.004 7.482 ( 0.000 2.585 0.000) 2.585 7.696 ( 0.000 -0.300 0.000) 0.300 7.758 ( 0.000 -0.182 0.000) 0.182 7.897 ( 0.000 2.597 0.000) 2.597 7.959 ( 0.000 1.167 0.000) 1.167 7.984 ( 0.000 3.657 0.000) 3.657 8.024 ( 0.000 2.907 0.000) 2.907 8.442 ( 0.000 4.709 0.000) 4.709 8.457 ( 0.000 -0.726 0.000) 0.726 8.723 ( 0.000 5.156 0.000) 5.156 8.872 ( 0.000 0.989 0.000) 0.989 9.296 ( 0.000 1.675 0.000) 1.675 9.378 ( 0.000 -1.425 0.000) 1.425 9.576 ( 0.000 1.271 0.000) 1.271 9.616 ( 0.000 -0.666 0.000) 0.666 9.761 ( 0.000 -4.550 0.000) 4.550 9.795 ( 0.000 -4.929 0.000) 4.929 ======================= Grid point 36 (22/56) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -1.535 9.258 0.000) 9.384 2.185 ( 1.466 11.178 0.000) 11.274 2.318 ( -0.956 7.988 0.000) 8.045 2.327 ( -0.203 5.667 0.000) 5.671 2.409 ( 0.547 5.939 0.000) 5.964 2.484 ( 0.901 7.359 0.000) 7.414 2.574 ( -1.944 0.863 0.000) 2.126 2.596 ( 0.163 0.371 0.000) 0.405 2.605 ( -1.275 3.665 0.000) 3.881 2.643 ( -0.857 1.152 0.000) 1.436 2.708 ( 0.715 -4.056 0.000) 4.119 2.793 ( 2.268 -1.775 0.000) 2.880 2.924 ( -2.720 1.837 0.000) 3.282 3.055 ( -4.627 -11.089 0.000) 12.015 3.133 ( -6.907 -5.853 0.000) 9.054 3.242 ( -0.874 -12.137 0.000) 12.169 3.414 ( 2.721 -2.918 0.000) 3.990 3.439 ( 5.957 -6.723 0.000) 8.983 3.815 ( 0.791 11.170 0.000) 11.198 3.921 ( 0.646 7.189 0.000) 7.218 4.058 ( 3.360 12.510 0.000) 12.953 4.159 ( 3.936 9.702 0.000) 10.470 4.333 ( -0.618 19.710 0.000) 19.720 4.512 ( -2.147 14.294 0.000) 14.454 5.355 ( -1.124 2.848 0.000) 3.061 5.598 ( 6.085 -0.651 0.000) 6.120 5.814 ( -1.989 4.747 0.000) 5.147 5.825 ( 6.003 0.805 0.000) 6.057 5.939 ( 2.875 0.964 0.000) 3.032 5.977 ( -1.784 6.786 0.000) 7.016 6.037 ( 0.820 2.785 0.000) 2.903 6.213 ( -2.848 -8.029 0.000) 8.519 6.375 ( 5.467 -0.570 0.000) 5.496 6.498 ( -3.348 5.263 0.000) 6.238 6.559 ( 0.425 2.520 0.000) 2.556 6.583 ( 1.435 -2.171 0.000) 2.603 6.649 ( 3.285 -2.456 0.000) 4.102 6.840 ( -2.614 -6.591 0.000) 7.090 6.968 ( -2.201 1.189 0.000) 2.501 7.113 ( 4.019 -2.745 0.000) 4.867 7.314 ( -5.628 -1.936 0.000) 5.952 7.416 ( -1.071 1.316 0.000) 1.697 7.417 ( 1.679 -3.300 0.000) 3.703 7.464 ( 0.687 1.499 0.000) 1.648 7.666 ( -3.027 -0.219 0.000) 3.035 7.757 ( 0.036 -1.227 0.000) 1.227 7.860 ( -4.066 3.214 0.000) 5.183 7.934 ( -2.869 0.898 0.000) 3.006 8.016 ( 3.682 2.756 0.000) 4.600 8.035 ( 1.315 2.459 0.000) 2.789 8.409 ( -2.814 5.110 0.000) 5.834 8.438 ( -2.399 0.321 0.000) 2.420 8.766 ( 3.633 5.296 0.000) 6.422 8.887 ( 1.672 1.108 0.000) 2.005 9.244 ( -4.763 2.616 0.000) 5.434 9.331 ( -4.121 -0.269 0.000) 4.129 9.596 ( 1.704 0.171 0.000) 1.713 9.640 ( 2.016 -1.918 0.000) 2.783 9.754 ( -0.680 -4.548 0.000) 4.598 9.789 ( -0.525 -5.039 0.000) 5.066 ======================= Grid point 37 (23/56) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.474 7.910 0.000) 7.925 2.214 ( 1.374 7.171 0.000) 7.301 2.313 ( 0.371 6.578 0.000) 6.588 2.337 ( 0.878 4.917 0.000) 4.995 2.407 ( -0.830 5.628 0.000) 5.689 2.495 ( -5.610 -1.047 0.000) 5.707 2.510 ( 0.995 4.106 0.000) 4.225 2.559 ( -2.422 0.933 0.000) 2.596 2.602 ( 1.238 0.719 0.000) 1.431 2.660 ( 1.842 5.359 0.000) 5.666 2.716 ( 0.311 -0.722 0.000) 0.786 2.850 ( 1.038 -0.811 0.000) 1.318 2.852 ( -4.040 2.789 0.000) 4.909 2.967 ( -1.552 -10.699 0.000) 10.811 2.973 ( -8.462 -2.024 0.000) 8.700 3.227 ( -2.028 -13.029 0.000) 13.185 3.452 ( 3.724 1.479 0.000) 4.006 3.614 ( 9.472 -4.718 0.000) 10.582 3.801 ( -2.806 8.649 0.000) 9.093 3.932 ( 0.176 5.065 0.000) 5.068 4.143 ( 4.749 10.842 0.000) 11.837 4.245 ( 4.243 9.407 0.000) 10.320 4.320 ( -0.766 16.852 0.000) 16.869 4.451 ( -3.757 13.350 0.000) 13.868 5.377 ( 3.362 6.059 0.000) 6.929 5.712 ( 5.521 3.551 0.000) 6.565 5.752 ( -5.076 7.608 0.000) 9.146 5.941 ( -0.701 6.531 0.000) 6.569 5.987 ( 8.732 -5.244 0.000) 10.185 5.998 ( 2.394 1.627 0.000) 2.895 6.052 ( 0.917 2.665 0.000) 2.818 6.146 ( -3.095 -3.836 0.000) 4.929 6.421 ( -3.509 3.529 0.000) 4.977 6.456 ( -0.823 -1.739 0.000) 1.923 6.545 ( -2.327 1.097 0.000) 2.573 6.667 ( 9.097 -0.415 0.000) 9.106 6.720 ( 1.681 -5.925 0.000) 6.159 6.805 ( 1.381 -4.353 0.000) 4.567 6.955 ( 1.507 3.744 0.000) 4.036 7.213 ( -3.602 1.393 0.000) 3.862 7.222 ( 6.682 -2.166 0.000) 7.024 7.310 ( -7.863 3.014 0.000) 8.421 7.467 ( 3.570 -3.481 0.000) 4.987 7.472 ( -4.539 -3.876 0.000) 5.969 7.624 ( 1.478 -0.621 0.000) 1.603 7.743 ( -7.198 2.096 0.000) 7.497 7.757 ( -0.440 -2.751 0.000) 2.785 7.869 ( -3.550 -0.827 0.000) 3.645 8.070 ( 2.951 4.318 0.000) 5.230 8.105 ( 4.170 1.937 0.000) 4.598 8.336 ( -4.544 6.351 0.000) 7.809 8.363 ( -4.718 2.357 0.000) 5.275 8.837 ( 3.200 5.987 0.000) 6.788 8.946 ( 4.183 1.044 0.000) 4.311 9.128 ( -6.496 4.211 0.000) 7.741 9.236 ( -5.059 0.788 0.000) 5.121 9.633 ( 1.904 -1.577 0.000) 2.472 9.683 ( 2.082 -3.611 0.000) 4.168 9.734 ( -1.242 -4.438 0.000) 4.608 9.774 ( -0.988 -5.214 0.000) 5.307 ======================= Grid point 38 (24/56) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 3.330 4.222 0.000) 5.377 2.241 ( 0.192 3.764 0.000) 3.769 2.295 ( -1.898 1.287 0.000) 2.294 2.327 ( -2.500 2.377 0.000) 3.449 2.399 ( 0.614 6.524 0.000) 6.553 2.413 ( -1.339 4.446 0.000) 4.643 2.509 ( -0.475 0.471 0.000) 0.669 2.517 ( -1.477 1.883 0.000) 2.393 2.666 ( 4.833 3.982 0.000) 6.262 2.706 ( 2.619 2.138 0.000) 3.381 2.733 ( 1.455 0.758 0.000) 1.640 2.771 ( -4.196 3.769 0.000) 5.640 2.795 ( -3.594 0.759 0.000) 3.673 2.821 ( -6.021 1.544 0.000) 6.216 3.037 ( 5.813 -10.123 0.000) 11.674 3.151 ( -5.184 -11.939 0.000) 13.016 3.565 ( 7.022 4.965 0.000) 8.600 3.705 ( -6.450 7.039 0.000) 9.547 3.791 ( 7.815 -2.203 0.000) 8.119 3.905 ( -3.393 1.323 0.000) 3.642 4.231 ( 3.869 10.627 0.000) 11.309 4.293 ( -2.231 12.891 0.000) 13.083 4.318 ( 3.099 10.211 0.000) 10.671 4.378 ( -3.276 11.876 0.000) 12.319 5.480 ( 6.608 8.240 0.000) 10.562 5.623 ( -7.281 8.693 0.000) 11.339 5.823 ( 5.492 5.160 0.000) 7.536 5.912 ( -2.932 5.438 0.000) 6.178 6.041 ( 1.617 1.152 0.000) 1.985 6.065 ( -0.827 -3.664 0.000) 3.756 6.085 ( 2.507 3.240 0.000) 4.097 6.127 ( -0.401 1.932 0.000) 1.973 6.412 ( -0.886 -0.209 0.000) 0.911 6.413 ( 2.322 -1.430 0.000) 2.727 6.489 ( -0.489 -1.575 0.000) 1.649 6.615 ( -8.610 -7.558 0.000) 11.457 6.893 ( 11.720 0.583 0.000) 11.735 6.963 ( 9.854 -2.093 0.000) 10.074 7.012 ( 2.724 5.078 0.000) 5.762 7.124 ( -10.333 1.736 0.000) 10.478 7.171 ( -0.305 3.218 0.000) 3.232 7.287 ( -8.928 -2.681 0.000) 9.322 7.389 ( 6.793 -2.363 0.000) 7.193 7.528 ( -2.387 -5.834 0.000) 6.303 7.622 ( -0.194 2.190 0.000) 2.199 7.681 ( 0.649 -4.222 0.000) 4.272 7.732 ( -0.231 -2.572 0.000) 2.582 7.794 ( -3.982 -3.477 0.000) 5.287 8.151 ( 5.074 5.842 0.000) 7.738 8.176 ( 3.079 3.249 0.000) 4.476 8.243 ( -4.117 5.308 0.000) 6.718 8.260 ( -5.516 5.327 0.000) 7.669 8.905 ( 3.982 6.294 0.000) 7.448 9.002 ( -5.784 5.644 0.000) 8.081 9.039 ( 4.885 0.970 0.000) 4.981 9.136 ( -4.934 0.936 0.000) 5.022 9.670 ( 1.851 -3.023 0.000) 3.544 9.705 ( -1.643 -3.987 0.000) 4.312 9.720 ( 1.695 -4.679 0.000) 4.977 9.751 ( -1.355 -5.162 0.000) 5.336 ======================= Grid point 42 (25/56) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.000 5.489 0.000) 5.489 2.375 ( 0.000 8.608 0.000) 8.608 2.389 ( 0.000 0.629 0.000) 0.629 2.491 ( 0.000 2.116 0.000) 2.116 2.496 ( 0.000 7.228 0.000) 7.228 2.529 ( 0.000 -6.957 0.000) 6.957 2.557 ( 0.000 -2.754 0.000) 2.754 2.593 ( 0.000 -2.077 0.000) 2.077 2.604 ( 0.000 0.195 0.000) 0.195 2.622 ( 0.000 0.500 0.000) 0.500 2.798 ( 0.000 4.443 0.000) 4.443 2.804 ( 0.000 8.931 0.000) 8.931 2.918 ( 0.000 -7.303 0.000) 7.303 2.982 ( 0.000 0.093 0.000) 0.093 2.998 ( 0.000 -8.232 0.000) 8.232 3.073 ( 0.000 -7.072 0.000) 7.072 3.301 ( 0.000 0.065 0.000) 0.065 3.326 ( 0.000 -2.633 0.000) 2.633 3.975 ( 0.000 5.023 0.000) 5.023 4.009 ( 0.000 1.626 0.000) 1.626 4.220 ( 0.000 5.707 0.000) 5.707 4.247 ( 0.000 2.851 0.000) 2.851 4.653 ( 0.000 9.732 0.000) 9.732 4.717 ( 0.000 3.278 0.000) 3.278 5.418 ( 0.000 1.683 0.000) 1.683 5.457 ( 0.000 -2.290 0.000) 2.290 5.885 ( 0.000 0.623 0.000) 0.623 5.889 ( 0.000 0.340 0.000) 0.340 5.890 ( 0.000 7.537 0.000) 7.537 6.058 ( 0.000 -8.988 0.000) 8.988 6.072 ( 0.000 2.512 0.000) 2.512 6.098 ( 0.000 0.846 0.000) 0.846 6.397 ( 0.000 6.064 0.000) 6.064 6.519 ( 0.000 -5.135 0.000) 5.135 6.599 ( 0.000 3.488 0.000) 3.488 6.605 ( 0.000 2.039 0.000) 2.039 6.612 ( 0.000 1.814 0.000) 1.814 6.713 ( 0.000 -7.443 0.000) 7.443 6.998 ( 0.000 -0.015 0.000) 0.015 7.014 ( 0.000 -1.945 0.000) 1.945 7.334 ( 0.000 -1.313 0.000) 1.313 7.342 ( 0.000 -1.853 0.000) 1.853 7.442 ( 0.000 2.718 0.000) 2.718 7.489 ( 0.000 -1.490 0.000) 1.490 7.700 ( 0.000 0.868 0.000) 0.868 7.730 ( 0.000 -1.924 0.000) 1.924 7.942 ( 0.000 1.771 0.000) 1.771 7.965 ( 0.000 -0.451 0.000) 0.451 8.039 ( 0.000 1.802 0.000) 1.802 8.055 ( 0.000 0.307 0.000) 0.307 8.474 ( 0.000 1.679 0.000) 1.679 8.493 ( 0.000 0.446 0.000) 0.446 8.817 ( 0.000 3.809 0.000) 3.809 8.869 ( 0.000 -1.351 0.000) 1.351 9.325 ( 0.000 1.258 0.000) 1.258 9.350 ( 0.000 -1.314 0.000) 1.314 9.596 ( 0.000 0.740 0.000) 0.740 9.607 ( 0.000 -0.416 0.000) 0.416 9.705 ( 0.000 -0.950 0.000) 0.950 9.720 ( 0.000 -2.362 0.000) 2.362 ======================= Grid point 43 (26/56) ======================= q-point: ( 0.14 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -1.219 6.059 0.000) 6.180 2.360 ( -1.773 6.947 0.000) 7.170 2.390 ( 0.023 0.517 0.000) 0.518 2.456 ( -3.310 1.874 0.000) 3.803 2.489 ( -0.186 2.327 0.000) 2.335 2.521 ( -0.994 -0.966 0.000) 1.386 2.565 ( -0.668 -5.186 0.000) 5.228 2.581 ( -0.966 -1.961 0.000) 2.186 2.588 ( 0.165 3.335 0.000) 3.339 2.629 ( 0.698 -1.417 0.000) 1.580 2.800 ( -0.355 8.455 0.000) 8.462 2.811 ( 1.285 3.064 0.000) 3.322 2.895 ( -1.926 -5.386 0.000) 5.720 2.953 ( -2.534 -0.959 0.000) 2.709 3.000 ( -0.543 -6.274 0.000) 6.297 3.040 ( -2.876 -5.707 0.000) 6.391 3.361 ( 4.537 -1.329 0.000) 4.728 3.367 ( 5.528 -1.648 0.000) 5.768 3.972 ( -0.625 4.705 0.000) 4.746 4.006 ( -0.461 1.290 0.000) 1.370 4.248 ( 2.717 5.880 0.000) 6.477 4.283 ( 3.274 2.377 0.000) 4.046 4.633 ( -1.953 9.355 0.000) 9.556 4.694 ( -2.382 3.295 0.000) 4.065 5.434 ( 2.608 4.756 0.000) 5.424 5.534 ( 6.378 -4.778 0.000) 7.969 5.887 ( 0.713 2.801 0.000) 2.890 5.907 ( 1.793 6.340 0.000) 6.588 5.930 ( 2.510 -1.412 0.000) 2.880 6.052 ( -0.387 -7.843 0.000) 7.853 6.078 ( 0.417 2.757 0.000) 2.789 6.096 ( -0.328 1.606 0.000) 1.639 6.415 ( 2.442 4.686 0.000) 5.285 6.525 ( 1.855 -4.797 0.000) 5.143 6.582 ( -3.099 2.685 0.000) 4.100 6.598 ( -1.152 0.966 0.000) 1.503 6.630 ( 1.798 1.879 0.000) 2.601 6.712 ( -0.266 -5.733 0.000) 5.740 6.994 ( 0.373 1.673 0.000) 1.714 7.045 ( 3.332 -3.357 0.000) 4.730 7.298 ( -2.602 0.654 0.000) 2.683 7.342 ( 0.186 -3.480 0.000) 3.485 7.442 ( -0.993 1.744 0.000) 2.007 7.475 ( -1.623 -0.960 0.000) 1.885 7.672 ( -2.432 1.317 0.000) 2.766 7.714 ( -1.272 -2.527 0.000) 2.830 7.911 ( -3.876 1.942 0.000) 4.335 7.937 ( -3.417 -0.598 0.000) 3.469 8.059 ( 2.802 1.413 0.000) 3.138 8.068 ( 1.898 0.633 0.000) 2.001 8.460 ( -1.524 1.672 0.000) 2.263 8.473 ( -1.982 0.832 0.000) 2.149 8.853 ( 3.259 3.189 0.000) 4.560 8.892 ( 2.259 -0.739 0.000) 2.377 9.288 ( -3.481 1.801 0.000) 3.919 9.317 ( -3.136 -1.096 0.000) 3.322 9.601 ( 0.500 0.380 0.000) 0.628 9.613 ( 0.610 -0.888 0.000) 1.077 9.698 ( -0.714 -0.978 0.000) 1.211 9.713 ( -0.692 -2.422 0.000) 2.519 ======================= Grid point 44 (27/56) ======================= q-point: ( 0.29 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -2.605 6.217 0.000) 6.741 2.309 ( -2.716 3.547 0.000) 4.468 2.372 ( -4.922 -2.092 0.000) 5.348 2.379 ( -1.677 -1.403 0.000) 2.186 2.487 ( 0.086 2.300 0.000) 2.302 2.505 ( -0.344 3.672 0.000) 3.688 2.526 ( -1.618 -1.668 0.000) 2.324 2.561 ( -0.994 -1.107 0.000) 1.488 2.631 ( 3.299 0.947 0.000) 3.433 2.658 ( 2.194 -2.386 0.000) 3.242 2.790 ( -0.731 7.130 0.000) 7.168 2.846 ( 1.756 0.369 0.000) 1.794 2.861 ( -0.860 -1.333 0.000) 1.586 2.897 ( -2.832 0.716 0.000) 2.921 2.934 ( -5.212 -1.764 0.000) 5.502 2.998 ( -1.954 -8.656 0.000) 8.874 3.479 ( 7.754 1.770 0.000) 7.953 3.531 ( 9.766 -3.422 0.000) 10.348 3.934 ( -3.601 4.508 0.000) 5.769 3.980 ( -2.509 -0.044 0.000) 2.510 4.319 ( 4.133 5.911 0.000) 7.212 4.361 ( 4.237 1.866 0.000) 4.630 4.577 ( -3.609 7.969 0.000) 8.748 4.624 ( -4.414 3.362 0.000) 5.549 5.524 ( 6.093 8.186 0.000) 10.205 5.682 ( 7.846 -6.474 0.000) 10.172 5.879 ( -2.416 5.120 0.000) 5.662 5.957 ( -0.372 -2.609 0.000) 2.635 5.965 ( 4.013 3.324 0.000) 5.211 6.057 ( 1.460 -4.932 0.000) 5.144 6.083 ( 0.806 3.992 0.000) 4.072 6.104 ( 1.523 1.525 0.000) 2.155 6.461 ( -0.527 2.902 0.000) 2.949 6.496 ( -5.049 3.443 0.000) 6.111 6.545 ( -4.089 -1.259 0.000) 4.279 6.573 ( -0.897 -7.370 0.000) 7.424 6.685 ( 6.972 1.828 0.000) 7.208 6.735 ( 5.344 -2.937 0.000) 6.098 7.041 ( 4.332 4.961 0.000) 6.586 7.146 ( 6.450 -5.072 0.000) 8.205 7.265 ( -0.408 3.861 0.000) 3.882 7.359 ( -7.268 2.269 0.000) 7.614 7.364 ( 2.012 -5.721 0.000) 6.064 7.408 ( -5.990 -2.681 0.000) 6.563 7.633 ( -0.809 1.844 0.000) 2.014 7.690 ( -1.118 -3.473 0.000) 3.648 7.793 ( -7.118 2.649 0.000) 7.595 7.841 ( -5.820 -1.973 0.000) 6.145 8.133 ( 4.405 1.713 0.000) 4.726 8.139 ( 4.603 0.976 0.000) 4.705 8.410 ( -3.636 2.008 0.000) 4.154 8.418 ( -3.357 1.526 0.000) 3.688 8.926 ( 3.711 2.880 0.000) 4.697 8.956 ( 4.040 -0.288 0.000) 4.050 9.198 ( -5.206 2.769 0.000) 5.897 9.236 ( -4.755 -0.924 0.000) 4.844 9.614 ( 0.778 -0.199 0.000) 0.803 9.629 ( 0.918 -1.725 0.000) 1.954 9.679 ( -1.141 -1.007 0.000) 1.522 9.695 ( -1.107 -2.534 0.000) 2.765 ======================= Grid point 45 (28/56) ======================= q-point: ( 0.43 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.575 3.613 0.000) 3.658 2.271 ( -1.728 0.674 0.000) 1.855 2.291 ( -1.484 -1.099 0.000) 1.847 2.321 ( -3.183 -2.723 0.000) 4.189 2.494 ( 0.569 2.904 0.000) 2.960 2.502 ( -0.189 3.622 0.000) 3.627 2.521 ( 0.683 0.058 0.000) 0.686 2.540 ( -1.097 -0.096 0.000) 1.101 2.709 ( 3.234 -0.057 0.000) 3.234 2.714 ( 4.621 -0.173 0.000) 4.624 2.764 ( -2.134 3.567 0.000) 4.157 2.821 ( -5.688 -0.862 0.000) 5.753 2.843 ( -0.188 2.549 0.000) 2.556 2.853 ( -1.424 3.150 0.000) 3.456 2.898 ( 2.613 -3.880 0.000) 4.678 2.951 ( -2.607 -7.396 0.000) 7.842 3.654 ( 9.209 4.017 0.000) 10.047 3.730 ( 9.648 -3.584 0.000) 10.292 3.823 ( -7.369 4.724 0.000) 8.753 3.894 ( -6.376 -2.201 0.000) 6.745 4.405 ( 4.436 5.889 0.000) 7.373 4.445 ( 4.193 2.153 0.000) 4.714 4.494 ( -4.514 6.463 0.000) 7.884 4.532 ( -4.578 2.989 0.000) 5.467 5.659 ( 7.093 9.198 0.000) 11.616 5.791 ( -5.875 7.712 0.000) 9.695 5.823 ( 5.961 -5.848 0.000) 8.351 5.916 ( -3.480 -4.216 0.000) 5.466 6.048 ( 4.007 3.036 0.000) 5.027 6.102 ( -0.378 4.236 0.000) 4.253 6.121 ( 3.849 -2.801 0.000) 4.760 6.142 ( 1.503 0.977 0.000) 1.792 6.413 ( -1.683 0.825 0.000) 1.875 6.413 ( -2.109 1.687 0.000) 2.700 6.456 ( -3.874 -2.078 0.000) 4.396 6.475 ( -5.968 -5.645 0.000) 8.214 6.906 ( 12.945 0.930 0.000) 12.979 6.931 ( 12.232 -1.378 0.000) 12.309 7.114 ( -1.276 4.494 0.000) 4.672 7.156 ( -10.881 0.826 0.000) 10.913 7.247 ( -3.422 -0.237 0.000) 3.430 7.259 ( -1.084 5.631 0.000) 5.735 7.311 ( 4.658 -4.968 0.000) 6.810 7.391 ( -0.826 -7.207 0.000) 7.254 7.638 ( 0.685 0.135 0.000) 0.698 7.668 ( -4.117 2.618 0.000) 4.879 7.672 ( 0.026 -2.822 0.000) 2.822 7.727 ( -4.943 -3.179 0.000) 5.877 8.229 ( 4.914 2.100 0.000) 5.344 8.235 ( 5.149 1.697 0.000) 5.421 8.324 ( -4.665 2.667 0.000) 5.373 8.337 ( -4.788 1.626 0.000) 5.056 9.002 ( 4.137 3.434 0.000) 5.377 9.044 ( 4.608 -0.750 0.000) 4.669 9.094 ( -5.045 3.445 0.000) 6.108 9.138 ( -4.895 -0.968 0.000) 4.989 9.632 ( 1.035 -0.644 0.000) 1.219 9.649 ( 1.081 -2.311 0.000) 2.551 9.655 ( -1.211 -0.919 0.000) 1.520 9.671 ( -1.189 -2.546 0.000) 2.810 ======================= Grid point 91 (29/56) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 0.000 25.115) 25.115 0.600 ( 0.000 0.000 25.869) 25.869 0.974 ( 0.000 0.000 36.959) 36.959 1.106 ( 0.000 0.000 -22.257) 22.257 1.153 ( 0.000 0.000 -15.270) 15.270 1.860 ( 0.000 0.000 -31.007) 31.007 1.913 ( 0.000 0.000 10.643) 10.643 1.988 ( 0.000 0.000 14.109) 14.109 2.159 ( 0.000 0.000 -13.200) 13.200 2.243 ( 0.000 0.000 -8.325) 8.325 2.417 ( 0.000 0.000 1.036) 1.036 2.443 ( 0.000 0.000 -1.053) 1.053 2.528 ( 0.000 0.000 9.615) 9.615 2.664 ( 0.000 0.000 2.943) 2.943 2.758 ( 0.000 0.000 0.464) 0.464 2.767 ( 0.000 0.000 -0.221) 0.221 2.858 ( 0.000 0.000 -4.589) 4.589 2.936 ( 0.000 0.000 -6.933) 6.933 3.573 ( 0.000 0.000 10.105) 10.105 3.730 ( 0.000 0.000 -3.364) 3.364 3.828 ( 0.000 0.000 12.837) 12.837 4.076 ( 0.000 0.000 -8.361) 8.361 4.346 ( 0.000 0.000 2.053) 2.053 4.410 ( 0.000 0.000 -3.016) 3.016 5.666 ( 0.000 0.000 4.812) 4.812 5.761 ( 0.000 0.000 -1.257) 1.257 5.882 ( 0.000 0.000 -2.200) 2.200 5.902 ( 0.000 0.000 -6.045) 6.045 6.105 ( 0.000 0.000 3.500) 3.500 6.156 ( 0.000 0.000 1.939) 1.939 6.167 ( 0.000 0.000 -1.390) 1.390 6.201 ( 0.000 0.000 -1.654) 1.654 6.265 ( 0.000 0.000 2.546) 2.546 6.341 ( 0.000 0.000 3.557) 3.557 6.345 ( 0.000 0.000 -4.195) 4.195 6.415 ( 0.000 0.000 -2.581) 2.581 6.671 ( 0.000 0.000 5.161) 5.161 6.793 ( 0.000 0.000 -5.463) 5.463 6.892 ( 0.000 0.000 7.772) 7.772 6.912 ( 0.000 0.000 1.842) 1.842 6.949 ( 0.000 0.000 -0.834) 0.834 7.043 ( 0.000 0.000 -4.209) 4.209 7.162 ( 0.000 0.000 3.029) 3.029 7.228 ( 0.000 0.000 -2.364) 2.364 7.251 ( 0.000 0.000 4.602) 4.602 7.406 ( 0.000 0.000 -7.223) 7.223 7.610 ( 0.000 0.000 0.919) 0.919 7.611 ( 0.000 0.000 0.742) 0.742 7.629 ( 0.000 0.000 -0.694) 0.694 7.656 ( 0.000 0.000 -4.069) 4.069 8.220 ( 0.000 0.000 13.035) 13.035 8.488 ( 0.000 0.000 -9.749) 9.749 8.868 ( 0.000 0.000 3.200) 3.200 8.967 ( 0.000 0.000 -2.506) 2.506 9.036 ( 0.000 0.000 -2.543) 2.543 9.069 ( 0.000 0.000 -1.915) 1.915 9.631 ( 0.000 0.000 9.460) 9.460 9.797 ( 0.000 0.000 -5.043) 5.043 10.349 ( 0.000 0.000 0.157) 0.157 10.356 ( 0.000 0.000 -0.403) 0.403 ======================= Grid point 92 (30/56) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 11.595 0.000 18.190) 21.572 0.792 ( 18.611 0.000 17.673) 25.665 1.132 ( 3.288 0.000 -20.668) 20.928 1.223 ( 10.958 0.000 -19.493) 22.362 1.374 ( 27.600 0.000 31.448) 41.842 1.914 ( 1.250 0.000 9.789) 9.869 2.036 ( 4.552 0.000 13.132) 13.898 2.044 ( 11.806 0.000 -16.419) 20.223 2.144 ( 0.776 0.000 -17.010) 17.027 2.273 ( 2.552 0.000 -7.629) 8.045 2.380 ( -3.590 0.000 1.275) 3.810 2.414 ( -2.879 0.000 -1.517) 3.254 2.456 ( -3.445 0.000 3.100) 4.634 2.577 ( -8.259 0.000 -3.255) 8.878 2.727 ( -3.114 0.000 0.849) 3.228 2.744 ( -2.264 0.000 -0.528) 2.325 2.903 ( 6.259 0.000 2.853) 6.878 3.066 ( 6.634 0.000 -8.868) 11.075 3.539 ( -2.623 0.000 8.861) 9.241 3.624 ( -5.317 0.000 2.073) 5.706 3.845 ( -0.583 0.000 12.532) 12.546 4.090 ( 0.529 0.000 -8.394) 8.411 4.300 ( -4.600 0.000 2.550) 5.259 4.360 ( -4.612 0.000 -1.693) 4.913 5.411 ( -9.343 0.000 11.817) 15.064 5.638 ( -14.458 0.000 -2.460) 14.666 5.727 ( -12.878 0.000 -4.986) 13.810 5.750 ( -10.169 0.000 -9.543) 13.945 6.135 ( -1.614 0.000 0.995) 1.896 6.163 ( 3.323 0.000 1.065) 3.489 6.164 ( -2.666 0.000 -1.348) 2.987 6.213 ( 3.233 0.000 -2.382) 4.016 6.256 ( -1.028 0.000 4.218) 4.341 6.374 ( 0.947 0.000 -6.048) 6.121 6.509 ( 7.489 0.000 1.701) 7.680 6.567 ( 6.997 0.000 -2.448) 7.412 6.663 ( -0.214 0.000 5.554) 5.559 6.772 ( -1.047 0.000 -3.872) 4.011 6.927 ( 0.995 0.000 1.009) 1.417 6.960 ( 0.844 0.000 -0.944) 1.266 7.000 ( 9.329 0.000 5.914) 11.046 7.143 ( 8.474 0.000 -4.706) 9.693 7.153 ( -0.831 0.000 2.609) 2.738 7.211 ( -1.473 0.000 -2.195) 2.643 7.232 ( -1.518 0.000 6.217) 6.400 7.415 ( 0.526 0.000 -8.379) 8.396 7.632 ( 1.838 0.000 0.647) 1.949 7.644 ( 2.676 0.000 -0.166) 2.681 7.647 ( 1.596 0.000 -0.578) 1.697 7.663 ( 0.863 0.000 -2.550) 2.692 8.161 ( -6.289 0.000 13.342) 14.750 8.311 ( -13.163 0.000 2.905) 13.480 8.682 ( -11.834 0.000 -0.750) 11.857 8.712 ( -8.097 0.000 -5.018) 9.526 9.023 ( 1.400 0.000 6.851) 6.993 9.189 ( 0.268 0.000 -7.893) 7.898 9.813 ( 11.677 0.000 4.818) 12.632 9.923 ( 8.341 0.000 -4.276) 9.373 10.344 ( -0.353 0.000 0.632) 0.723 10.357 ( -0.648 0.000 -0.179) 0.672 ======================= Grid point 93 (31/56) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 19.617 0.000 5.678) 20.423 1.207 ( 21.573 0.000 10.471) 23.980 1.274 ( 10.892 0.000 -16.719) 19.954 1.495 ( 15.254 0.000 -14.205) 20.844 1.856 ( 10.871 0.000 15.223) 18.706 1.994 ( 0.878 0.000 5.093) 5.168 2.083 ( 7.797 0.000 4.858) 9.186 2.147 ( 5.228 0.000 9.631) 10.958 2.208 ( -0.333 0.000 -2.112) 2.138 2.232 ( -8.306 0.000 1.036) 8.370 2.327 ( -4.239 0.000 -1.653) 4.550 2.379 ( 4.143 0.000 -5.285) 6.715 2.430 ( -1.468 0.000 -1.869) 2.376 2.639 ( -5.569 0.000 2.161) 5.974 2.648 ( 21.430 0.000 -17.049) 27.384 2.682 ( -3.848 0.000 -1.415) 4.100 2.987 ( 0.892 0.000 1.584) 1.818 3.106 ( -2.834 0.000 -6.915) 7.473 3.500 ( -2.521 0.000 7.961) 8.350 3.575 ( -1.099 0.000 0.856) 1.393 3.809 ( -1.681 0.000 12.740) 12.850 4.048 ( -5.896 0.000 -7.148) 9.266 4.189 ( -4.922 0.000 1.863) 5.263 4.251 ( -5.672 0.000 -2.177) 6.076 5.317 ( -1.814 0.000 5.513) 5.804 5.384 ( -9.904 0.000 1.677) 10.045 5.458 ( -12.216 0.000 -0.791) 12.241 5.558 ( -8.202 0.000 -12.175) 14.680 6.109 ( -0.754 0.000 0.370) 0.840 6.127 ( -0.580 0.000 -0.986) 1.144 6.216 ( 2.004 0.000 0.913) 2.202 6.217 ( -2.794 0.000 4.562) 5.350 6.256 ( 1.322 0.000 -2.032) 2.424 6.337 ( -4.457 0.000 -5.709) 7.242 6.545 ( -2.291 0.000 4.874) 5.386 6.639 ( 0.455 0.000 -3.069) 3.103 6.689 ( 2.752 0.000 4.362) 5.157 6.769 ( 0.545 0.000 -2.532) 2.590 6.943 ( 0.549 0.000 0.871) 1.029 6.970 ( -0.018 0.000 -0.784) 0.784 7.116 ( 0.084 0.000 4.836) 4.837 7.137 ( -0.552 0.000 1.499) 1.597 7.178 ( -1.719 0.000 -1.704) 2.421 7.183 ( 0.637 0.000 0.787) 1.013 7.374 ( 10.656 0.000 0.498) 10.668 7.455 ( 4.551 0.000 -6.019) 7.546 7.662 ( -0.169 0.000 -0.302) 0.346 7.673 ( 1.986 0.000 0.412) 2.028 7.682 ( 1.663 0.000 -0.328) 1.695 7.687 ( 0.011 0.000 -2.723) 2.723 8.033 ( -4.485 0.000 6.966) 8.285 8.117 ( -7.542 0.000 1.147) 7.629 8.506 ( -4.932 0.000 1.279) 5.095 8.603 ( -4.651 0.000 -3.974) 6.118 9.059 ( 2.328 0.000 3.960) 4.593 9.176 ( -1.097 0.000 -5.348) 5.459 10.005 ( 7.801 0.000 3.304) 8.472 10.073 ( 6.673 0.000 -2.322) 7.066 10.323 ( -2.652 0.000 0.993) 2.832 10.327 ( -1.551 0.000 0.418) 1.607 ======================= Grid point 94 (32/56) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 16.035 0.000 1.548) 16.110 1.494 ( 7.072 0.000 -8.736) 11.239 1.612 ( 18.229 0.000 5.887) 19.156 1.773 ( 9.311 0.000 -7.390) 11.887 1.833 ( -5.473 0.000 2.697) 6.102 1.902 ( -7.913 0.000 -2.325) 8.248 2.026 ( -9.219 0.000 1.925) 9.418 2.102 ( -9.088 0.000 -3.552) 9.757 2.139 ( 4.201 0.000 2.988) 5.155 2.229 ( -3.189 0.000 -3.625) 4.828 2.359 ( 6.885 0.000 5.904) 9.070 2.474 ( 2.284 0.000 -2.536) 3.413 2.520 ( -3.915 0.000 2.534) 4.663 2.594 ( -4.892 0.000 -2.670) 5.573 2.759 ( 24.848 0.000 14.218) 28.628 2.967 ( -0.461 0.000 1.130) 1.221 3.016 ( -2.328 0.000 -2.103) 3.138 3.121 ( 21.953 0.000 -14.846) 26.501 3.287 ( -18.611 0.000 9.075) 20.706 3.486 ( -11.562 0.000 -6.951) 13.490 3.833 ( 3.458 0.000 8.465) 9.144 3.912 ( -5.094 0.000 2.804) 5.815 4.132 ( -0.852 0.000 -2.463) 2.606 4.159 ( -3.298 0.000 -3.128) 4.545 5.240 ( -2.847 0.000 2.058) 3.513 5.264 ( -5.059 0.000 0.531) 5.087 5.353 ( 2.099 0.000 0.732) 2.223 5.428 ( -5.081 0.000 -6.093) 7.933 6.112 ( 1.176 0.000 1.209) 1.687 6.143 ( 0.848 0.000 -0.202) 0.872 6.162 ( -0.999 0.000 1.569) 1.860 6.232 ( -5.191 0.000 -3.244) 6.121 6.247 ( 1.403 0.000 2.506) 2.872 6.270 ( -0.360 0.000 1.741) 1.778 6.514 ( 0.969 0.000 0.695) 1.193 6.585 ( -4.719 0.000 -4.123) 6.267 6.748 ( 2.562 0.000 1.652) 3.049 6.777 ( -0.275 0.000 -0.724) 0.774 6.951 ( 0.358 0.000 0.520) 0.631 6.961 ( -0.635 0.000 -0.081) 0.640 7.125 ( 1.730 0.000 2.025) 2.663 7.134 ( 0.291 0.000 0.160) 0.332 7.149 ( -1.127 0.000 -0.919) 1.454 7.167 ( -1.990 0.000 -1.111) 2.279 7.522 ( 3.486 0.000 0.283) 3.498 7.544 ( 1.713 0.000 -1.029) 1.998 7.679 ( 2.110 0.000 -0.538) 2.178 7.685 ( 1.269 0.000 -1.200) 1.747 7.702 ( 0.878 0.000 0.157) 0.892 7.705 ( 0.583 0.000 -0.078) 0.588 7.973 ( -1.790 0.000 0.742) 1.938 7.997 ( -4.236 0.000 -0.735) 4.299 8.472 ( 0.844 0.000 2.981) 3.098 8.519 ( -3.556 0.000 0.187) 3.561 9.108 ( 2.342 0.000 -0.001) 2.342 9.148 ( -1.707 0.000 -3.045) 3.491 10.138 ( 5.656 0.000 2.299) 6.106 10.182 ( 3.676 0.000 -1.506) 3.973 10.258 ( -3.173 0.000 1.849) 3.672 10.281 ( -2.981 0.000 -0.207) 2.988 ======================= Grid point 98 (33/56) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 16.023 17.696) 23.872 0.808 ( 0.000 17.943 17.942) 25.374 1.181 ( 0.000 7.824 -21.095) 22.499 1.220 ( 0.000 11.651 -14.354) 18.487 1.416 ( 0.000 30.607 25.439) 39.798 1.922 ( 0.000 3.990 0.233) 3.997 1.938 ( 0.000 2.671 9.795) 10.152 2.150 ( 0.000 13.933 -7.581) 15.861 2.216 ( 0.000 7.408 -17.743) 19.228 2.226 ( 0.000 -1.211 -2.586) 2.856 2.524 ( 0.000 11.061 0.322) 11.066 2.554 ( 0.000 10.835 -1.811) 10.985 2.633 ( 0.000 7.975 4.125) 8.978 2.664 ( 0.000 0.240 3.434) 3.443 2.769 ( 0.000 2.040 0.017) 2.040 2.790 ( 0.000 2.101 -0.879) 2.277 2.944 ( 0.000 7.610 -4.707) 8.948 2.959 ( 0.000 3.664 -5.192) 6.355 3.555 ( 0.000 -1.389 9.648) 9.747 3.662 ( 0.000 -4.157 1.003) 4.276 3.788 ( 0.000 -3.902 12.085) 12.699 4.021 ( 0.000 -5.316 -7.937) 9.553 4.282 ( 0.000 -6.179 1.873) 6.457 4.333 ( 0.000 -6.725 -1.642) 6.922 5.418 ( 0.000 -7.823 9.361) 12.199 5.587 ( 0.000 -10.606 -4.894) 11.681 5.830 ( 0.000 -3.966 -1.176) 4.136 5.849 ( 0.000 -3.517 -3.685) 5.094 6.035 ( 0.000 -4.667 1.874) 5.029 6.060 ( 0.000 -5.639 0.206) 5.642 6.253 ( 0.000 -0.012 1.538) 1.538 6.330 ( 0.000 -0.415 -4.980) 4.997 6.380 ( 0.000 4.343 3.206) 5.398 6.434 ( 0.000 10.177 -1.702) 10.319 6.523 ( 0.000 13.487 -0.440) 13.494 6.557 ( 0.000 5.654 -4.333) 7.123 6.698 ( 0.000 -4.420 7.649) 8.834 6.752 ( 0.000 7.138 5.936) 9.284 6.884 ( 0.000 1.723 -5.132) 5.414 6.924 ( 0.000 7.884 -6.860) 10.451 7.011 ( 0.000 -4.687 2.693) 5.405 7.062 ( 0.000 3.239 -1.618) 3.620 7.196 ( 0.000 0.936 6.642) 6.708 7.243 ( 0.000 8.241 3.462) 8.939 7.341 ( 0.000 6.470 2.009) 6.775 7.448 ( 0.000 3.573 -7.612) 8.409 7.612 ( 0.000 -0.922 -0.255) 0.956 7.617 ( 0.000 3.125 -1.434) 3.438 7.648 ( 0.000 2.011 -0.097) 2.013 7.666 ( 0.000 1.292 -2.797) 3.081 8.250 ( 0.000 2.271 13.483) 13.673 8.554 ( 0.000 2.717 -13.361) 13.634 8.837 ( 0.000 -3.117 3.990) 5.063 8.929 ( 0.000 -3.693 -1.710) 4.070 9.096 ( 0.000 2.647 -0.219) 2.656 9.168 ( 0.000 8.683 -10.230) 13.418 9.610 ( 0.000 -1.639 8.521) 8.677 9.768 ( 0.000 -2.650 -4.978) 5.639 10.308 ( 0.000 -3.894 0.287) 3.905 10.314 ( 0.000 -4.060 -0.261) 4.068 ======================= Grid point 99 (34/56) ======================= q-point: ( 0.14 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 8.347 16.466 13.941) 23.134 0.908 ( 14.925 11.936 15.703) 24.735 1.234 ( 3.723 9.489 -18.655) 21.258 1.309 ( 10.034 8.236 -18.486) 22.588 1.673 ( 21.771 25.982 23.982) 41.523 1.940 ( 1.302 2.430 9.019) 9.431 2.004 ( 5.768 1.474 4.919) 7.723 2.154 ( -1.917 2.524 0.325) 3.186 2.260 ( 1.794 6.890 -11.403) 13.443 2.286 ( 9.084 8.739 -11.566) 17.108 2.484 ( -4.203 10.702 0.710) 11.519 2.523 ( -3.287 10.273 -2.371) 11.043 2.572 ( -0.849 8.847 -3.252) 9.464 2.606 ( -6.749 3.342 -1.887) 7.764 2.748 ( -2.279 2.567 1.562) 3.772 2.777 ( -1.495 3.431 -0.857) 3.839 2.936 ( 3.454 3.595 2.585) 5.616 3.089 ( 5.535 2.628 -8.869) 10.780 3.535 ( -1.317 -0.064 8.536) 8.637 3.601 ( -3.168 -1.533 2.922) 4.575 3.806 ( 0.185 -3.606 11.559) 12.110 4.034 ( 0.559 -5.446 -7.851) 9.571 4.241 ( -4.088 -5.673 2.394) 7.391 4.297 ( -3.614 -5.898 -1.650) 7.111 5.358 ( -3.846 -2.633 7.782) 9.071 5.548 ( -4.659 -7.819 -7.335) 11.690 5.647 ( -11.827 -4.133 -0.047) 12.529 5.704 ( -12.052 -1.940 -3.254) 12.633 6.072 ( 1.092 -3.672 0.137) 3.833 6.090 ( 0.209 -3.280 -0.873) 3.401 6.287 ( 1.437 2.137 2.919) 3.893 6.328 ( -1.462 1.630 1.297) 2.545 6.345 ( -2.440 7.654 -0.842) 8.077 6.407 ( 0.849 3.739 -4.027) 5.560 6.516 ( -1.663 2.434 1.635) 3.371 6.570 ( -0.052 0.301 -3.230) 3.245 6.741 ( 1.676 6.996 6.447) 9.660 6.811 ( 6.376 0.159 4.019) 7.539 6.898 ( -0.959 5.115 -4.794) 7.076 6.936 ( 2.765 3.187 -4.393) 6.091 7.031 ( -0.790 -5.976 4.353) 7.435 7.088 ( 2.098 0.906 -1.644) 2.816 7.198 ( 3.463 0.547 4.332) 5.573 7.240 ( 0.844 6.418 3.383) 7.304 7.344 ( -0.224 6.979 -0.215) 6.986 7.432 ( -1.886 2.310 -7.222) 7.813 7.630 ( 2.058 2.087 -0.089) 2.933 7.651 ( 3.422 2.446 -1.198) 4.374 7.695 ( 3.317 3.081 -0.112) 4.528 7.717 ( 4.286 2.883 -2.518) 5.746 8.206 ( -4.308 2.411 12.450) 13.393 8.438 ( -12.213 6.796 -7.562) 15.890 8.693 ( -12.197 0.900 1.190) 12.288 8.756 ( -9.140 3.959 -4.819) 11.065 9.018 ( -0.554 0.195 6.759) 6.784 9.181 ( -1.179 -0.375 -7.746) 7.844 9.776 ( 11.191 -3.199 5.301) 12.789 9.890 ( 8.315 -3.063 -4.198) 9.805 10.303 ( -0.453 -3.943 0.484) 3.998 10.311 ( -0.672 -4.279 0.017) 4.332 ======================= Grid point 100 (35/56) ======================= q-point: ( 0.29 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 16.388 10.454 6.182) 20.397 1.271 ( 19.618 6.641 10.300) 23.131 1.368 ( 10.014 8.754 -14.156) 19.424 1.570 ( 14.920 6.749 -14.260) 21.714 1.943 ( 2.521 5.604 8.471) 10.465 2.022 ( -2.826 2.154 2.747) 4.492 2.141 ( 4.768 5.562 3.951) 8.324 2.203 ( 7.026 5.630 6.626) 11.179 2.231 ( 3.659 5.935 4.326) 8.205 2.365 ( -6.239 9.286 1.403) 11.275 2.419 ( -2.781 9.697 -3.609) 10.714 2.430 ( -0.566 4.990 -5.036) 7.112 2.521 ( 4.261 8.862 1.670) 9.974 2.671 ( -4.438 3.661 2.525) 6.283 2.708 ( 0.614 4.646 -3.609) 5.915 2.788 ( 14.030 11.177 -12.845) 22.063 2.984 ( 0.260 -0.120 1.745) 1.768 3.110 ( -3.253 0.470 -7.064) 7.791 3.522 ( -1.628 2.325 6.946) 7.503 3.578 ( -0.361 0.619 1.383) 1.558 3.788 ( -0.733 -1.994 11.461) 11.656 4.005 ( -4.452 -4.242 -6.948) 9.278 4.141 ( -4.635 -4.562 2.229) 6.875 4.203 ( -5.165 -4.607 -2.221) 7.269 5.306 ( -1.525 -0.848 4.353) 4.689 5.396 ( -8.406 1.419 2.346) 8.841 5.460 ( -11.105 0.648 -1.654) 11.246 5.480 ( -5.280 -5.975 -9.073) 12.079 6.064 ( -0.592 -3.132 0.737) 3.272 6.098 ( 0.930 -2.289 -2.273) 3.357 6.238 ( -4.676 -0.351 4.804) 6.714 6.275 ( -1.391 4.634 2.345) 5.376 6.342 ( -4.088 2.765 -1.960) 5.310 6.364 ( -2.726 4.426 -1.984) 5.564 6.529 ( 2.800 0.548 0.160) 2.858 6.581 ( 0.923 -2.239 -2.604) 3.556 6.753 ( -0.079 4.291 3.106) 5.297 6.837 ( -2.614 5.527 -3.147) 6.876 6.938 ( 3.458 -1.348 3.653) 5.207 6.983 ( -0.436 2.333 -0.702) 2.475 7.004 ( 2.001 -1.404 3.537) 4.300 7.107 ( 0.402 -1.686 -3.235) 3.670 7.269 ( -1.566 6.419 4.201) 7.830 7.287 ( 0.725 3.403 2.187) 4.109 7.392 ( 7.221 0.372 -2.654) 7.702 7.418 ( 3.877 -0.241 -4.322) 5.811 7.678 ( 2.250 3.859 0.915) 4.559 7.720 ( 2.846 3.913 -1.427) 5.044 7.745 ( 1.287 5.754 0.682) 5.935 7.800 ( 3.439 5.231 -3.508) 7.176 8.098 ( -5.572 2.810 5.899) 8.587 8.173 ( -12.153 7.144 -1.439) 14.170 8.512 ( -5.526 0.729 2.426) 6.079 8.614 ( -5.700 1.709 -3.992) 7.166 9.040 ( 2.104 -1.687 3.967) 4.797 9.157 ( -1.282 -1.668 -5.339) 5.739 9.967 ( 7.942 -3.573 3.557) 9.408 10.039 ( 6.574 -3.217 -2.471) 7.725 10.279 ( -2.454 -4.256 0.939) 5.002 10.286 ( -1.619 -3.953 0.235) 4.278 ======================= Grid point 101 (36/56) ======================= q-point: ( 0.43 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 14.467 6.337 1.724) 15.888 1.549 ( 6.058 5.520 -7.602) 11.179 1.673 ( 18.325 5.391 6.642) 20.224 1.850 ( 10.015 6.418 -7.775) 14.211 1.876 ( -4.930 4.235 2.370) 6.917 1.948 ( -6.455 4.705 -2.533) 8.379 2.034 ( -9.534 1.438 2.301) 9.913 2.110 ( -6.023 3.019 -3.333) 7.517 2.274 ( -2.027 8.711 0.122) 8.945 2.313 ( -3.801 7.209 -2.560) 8.542 2.409 ( 7.289 5.696 6.881) 11.530 2.532 ( 1.841 6.409 -1.376) 6.809 2.561 ( -2.703 4.042 2.210) 5.341 2.643 ( -4.342 4.915 -2.816) 7.137 2.867 ( 21.391 10.081 11.842) 26.446 2.963 ( 0.793 -0.650 1.331) 1.680 3.020 ( -2.759 0.325 -2.008) 3.427 3.182 ( 18.609 6.179 -12.937) 23.492 3.331 ( -16.294 4.639 7.821) 18.659 3.509 ( -9.958 2.445 -5.969) 11.865 3.824 ( 3.546 -0.704 7.275) 8.124 3.896 ( -4.240 -1.496 1.910) 4.885 4.088 ( -0.693 -4.286 -1.645) 4.642 4.116 ( -3.246 -4.180 -2.684) 5.934 5.259 ( -2.028 1.778 2.341) 3.571 5.287 ( -4.743 2.378 0.833) 5.371 5.340 ( 1.055 -0.705 0.009) 1.269 5.393 ( -3.654 -2.802 -5.221) 6.961 6.076 ( 2.067 -4.111 2.476) 5.225 6.132 ( 1.091 -3.328 -0.387) 3.524 6.148 ( -2.555 -0.309 2.745) 3.763 6.220 ( -5.542 1.560 -0.481) 5.778 6.274 ( 1.339 1.799 0.345) 2.269 6.321 ( -2.742 3.203 -2.193) 4.753 6.564 ( 0.824 4.500 -0.877) 4.658 6.582 ( -0.874 1.757 -2.013) 2.811 6.769 ( 1.974 1.803 2.055) 3.372 6.804 ( -1.202 2.323 -0.955) 2.784 6.956 ( -0.142 -0.900 -0.525) 1.052 6.965 ( -1.055 -0.054 -1.233) 1.624 7.081 ( 4.656 1.670 2.810) 5.689 7.137 ( 1.484 1.225 -0.846) 2.102 7.203 ( -2.977 4.209 0.051) 5.156 7.237 ( -3.841 4.963 -1.655) 6.490 7.518 ( 5.103 -1.558 3.178) 6.210 7.546 ( 3.489 -0.228 1.494) 3.802 7.714 ( 1.627 5.367 1.305) 5.758 7.741 ( -0.491 5.308 2.536) 5.903 7.785 ( 4.003 7.195 -3.778) 9.058 7.850 ( 0.809 8.646 -5.665) 10.368 7.980 ( -5.945 0.456 0.340) 5.972 7.998 ( -4.601 1.351 -1.051) 4.909 8.470 ( 0.742 0.178 3.757) 3.833 8.519 ( -3.778 0.442 0.567) 3.846 9.086 ( 2.274 -2.007 -0.021) 3.033 9.127 ( -1.795 -1.968 -3.078) 4.071 10.101 ( 5.691 -3.542 2.389) 7.116 10.147 ( 3.723 -3.373 -1.525) 5.250 10.216 ( -3.216 -4.077 1.744) 5.478 10.240 ( -2.960 -3.934 -0.365) 4.937 ======================= Grid point 105 (37/56) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.000 21.547 8.793) 23.272 1.221 ( 0.000 21.752 9.621) 23.785 1.413 ( 0.000 14.778 -15.899) 21.706 1.487 ( 0.000 15.054 -12.881) 19.813 2.000 ( 0.000 7.821 6.596) 10.231 2.022 ( 0.000 6.379 6.231) 8.917 2.128 ( 0.000 29.074 14.860) 32.652 2.242 ( 0.000 6.830 4.653) 8.264 2.277 ( 0.000 4.194 -5.431) 6.862 2.545 ( 0.000 12.275 -6.237) 13.768 2.709 ( 0.000 5.722 -4.002) 6.982 2.736 ( 0.000 5.199 -2.078) 5.598 2.771 ( 0.000 4.652 -1.714) 4.957 2.785 ( 0.000 10.962 -7.783) 13.444 2.927 ( 0.000 15.925 1.459) 15.992 2.946 ( 0.000 18.844 0.831) 18.862 3.112 ( 0.000 10.833 -3.134) 11.277 3.119 ( 0.000 8.554 -4.364) 9.603 3.547 ( 0.000 1.206 8.383) 8.470 3.605 ( 0.000 -1.422 2.622) 2.983 3.687 ( 0.000 -5.106 9.577) 10.853 3.871 ( 0.000 -9.448 -6.458) 11.444 4.107 ( 0.000 -10.991 1.588) 11.105 4.155 ( 0.000 -10.941 -1.832) 11.093 5.379 ( 0.000 2.062 2.177) 2.999 5.439 ( 0.000 -4.223 -2.575) 4.947 5.750 ( 0.000 -3.585 0.350) 3.602 5.786 ( 0.000 -2.623 -3.229) 4.160 5.943 ( 0.000 -3.950 1.157) 4.116 5.955 ( 0.000 -4.569 0.825) 4.643 6.231 ( 0.000 -2.761 1.841) 3.318 6.316 ( 0.000 -1.023 -5.321) 5.418 6.356 ( 0.000 -3.930 6.059) 7.221 6.508 ( 0.000 -3.669 -7.227) 8.105 6.607 ( 0.000 3.235 2.233) 3.931 6.626 ( 0.000 2.548 1.333) 2.876 6.838 ( 0.000 10.048 3.683) 10.702 6.873 ( 0.000 -2.175 7.281) 7.599 6.934 ( 0.000 6.210 7.694) 9.887 7.017 ( 0.000 7.355 -4.833) 8.800 7.068 ( 0.000 -0.041 -5.811) 5.811 7.145 ( 0.000 11.324 -8.893) 14.398 7.257 ( 0.000 4.691 7.054) 8.471 7.432 ( 0.000 8.972 -3.101) 9.493 7.477 ( 0.000 6.419 1.013) 6.498 7.491 ( 0.000 -0.362 -3.352) 3.371 7.641 ( 0.000 4.733 1.632) 5.007 7.686 ( 0.000 4.074 -0.815) 4.154 7.723 ( 0.000 4.373 -0.909) 4.467 7.726 ( 0.000 4.773 -1.314) 4.950 8.292 ( 0.000 1.893 12.981) 13.118 8.579 ( 0.000 0.179 -11.846) 11.847 8.754 ( 0.000 -4.580 4.386) 6.342 8.836 ( 0.000 -4.927 -1.486) 5.146 9.163 ( 0.000 3.664 2.734) 4.572 9.294 ( 0.000 3.977 -8.871) 9.722 9.579 ( 0.000 -1.238 6.125) 6.249 9.705 ( 0.000 -3.251 -4.364) 5.442 10.201 ( 0.000 -6.968 0.076) 6.969 10.201 ( 0.000 -6.590 0.136) 6.591 ======================= Grid point 106 (38/56) ======================= q-point: ( 0.14 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 8.575 18.915 8.170) 22.317 1.244 ( 4.184 20.220 10.161) 23.013 1.480 ( 5.006 14.354 -13.775) 20.515 1.532 ( 6.207 13.527 -14.343) 20.669 2.018 ( 1.244 5.483 6.821) 8.840 2.073 ( 3.528 5.172 3.604) 7.224 2.198 ( 0.497 4.305 4.440) 6.205 2.264 ( 8.747 22.565 6.982) 25.188 2.344 ( 5.001 11.046 1.422) 12.209 2.536 ( -1.114 8.179 -1.612) 8.410 2.681 ( -4.960 4.749 -1.699) 7.074 2.700 ( -2.285 4.923 -3.234) 6.318 2.720 ( -2.289 8.790 0.387) 9.092 2.853 ( 5.497 17.105 -11.504) 21.334 2.916 ( -1.913 14.323 1.559) 14.534 2.922 ( -0.725 16.471 -1.576) 16.562 3.050 ( -2.719 7.486 1.973) 8.205 3.170 ( 0.659 5.039 -8.171) 9.623 3.558 ( 1.550 2.504 7.069) 7.658 3.595 ( 0.487 2.115 3.765) 4.345 3.714 ( 1.475 -4.873 8.256) 9.699 3.882 ( 0.762 -9.429 -6.024) 11.215 4.084 ( -2.318 -9.632 1.973) 10.101 4.136 ( -2.033 -9.946 -1.887) 10.325 5.351 ( -2.388 1.857 1.758) 3.499 5.420 ( -1.778 -4.239 -3.945) 6.058 5.595 ( -9.352 -1.083 3.592) 10.076 5.682 ( -8.758 -0.006 -3.375) 9.386 6.002 ( 3.026 -3.173 0.079) 4.385 6.022 ( 2.035 -3.339 -1.203) 4.091 6.237 ( -1.886 -6.020 6.228) 8.864 6.307 ( 3.195 -0.979 0.931) 3.469 6.388 ( 1.516 -0.328 -1.950) 2.492 6.456 ( -4.401 -2.921 -7.717) 9.351 6.598 ( -0.741 4.699 1.253) 4.919 6.629 ( -1.755 5.686 -0.747) 5.997 6.833 ( 3.093 2.103 9.385) 10.103 6.912 ( -1.702 -3.869 9.630) 10.517 6.937 ( 1.519 10.598 3.902) 11.396 7.025 ( 2.635 4.659 -5.387) 7.594 7.052 ( -1.329 1.007 -6.875) 7.074 7.123 ( -2.804 7.352 -7.700) 11.010 7.229 ( 0.149 3.629 4.531) 5.807 7.362 ( -2.162 5.559 -5.092) 7.842 7.485 ( -1.505 6.217 1.470) 6.563 7.522 ( 0.613 6.401 -0.894) 6.493 7.676 ( 4.363 2.748 3.043) 5.987 7.737 ( 3.026 5.154 -0.086) 5.977 7.768 ( 4.009 3.987 -0.214) 5.658 7.790 ( 5.656 4.284 -4.427) 8.363 8.242 ( -4.640 1.315 11.973) 12.908 8.487 ( -8.287 -0.559 -8.997) 12.245 8.699 ( -7.385 -0.634 3.696) 8.282 8.803 ( -2.377 0.073 -4.474) 5.067 9.059 ( -6.477 3.676 4.672) 8.791 9.194 ( -5.467 1.801 -6.813) 8.919 9.708 ( 9.284 -3.269 4.955) 11.020 9.814 ( 7.670 -4.168 -3.881) 9.553 10.192 ( -0.804 -6.953 0.401) 7.011 10.198 ( -0.542 -6.734 0.009) 6.756 ======================= Grid point 107 (39/56) ======================= q-point: ( 0.29 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 10.568 16.013 5.772) 20.035 1.467 ( 14.467 12.386 8.214) 20.741 1.595 ( 7.476 13.156 -10.247) 18.275 1.738 ( 12.833 9.672 -12.967) 20.649 2.049 ( 0.846 5.718 4.072) 7.071 2.085 ( -2.011 4.462 1.668) 5.171 2.226 ( 1.016 4.242 5.390) 6.934 2.313 ( -3.338 5.286 -2.051) 6.579 2.457 ( 0.260 9.546 1.907) 9.738 2.521 ( -1.782 7.316 -1.773) 7.736 2.583 ( -3.928 7.506 0.063) 8.472 2.627 ( -1.554 7.742 -1.794) 8.098 2.787 ( 10.882 18.178 7.348) 22.424 2.842 ( -3.879 13.840 3.430) 14.777 2.861 ( -2.293 10.925 -0.104) 11.164 2.990 ( -1.784 1.276 1.994) 2.965 3.070 ( 6.608 12.295 -9.483) 16.875 3.149 ( 1.896 7.975 -9.724) 12.718 3.598 ( -0.176 5.154 4.708) 6.983 3.618 ( 0.977 3.802 2.413) 4.608 3.741 ( 2.434 -2.047 7.140) 7.816 3.884 ( -0.896 -7.680 -5.491) 9.483 4.022 ( -3.469 -6.757 2.280) 7.930 4.074 ( -3.935 -7.935 -1.818) 9.042 5.303 ( -1.959 0.957 1.257) 2.517 5.369 ( -3.144 -3.806 -3.204) 5.885 5.450 ( -4.844 3.865 2.344) 6.626 5.507 ( -8.066 3.897 -1.659) 9.110 6.018 ( -1.108 -1.652 -0.062) 1.990 6.032 ( 0.241 -3.425 -1.004) 3.577 6.170 ( -3.217 -4.249 6.593) 8.478 6.316 ( -5.939 -1.707 -4.927) 7.903 6.396 ( -1.615 2.728 0.185) 3.175 6.427 ( 2.278 0.720 -1.911) 3.059 6.571 ( -0.189 2.085 0.635) 2.188 6.607 ( 1.256 5.629 -1.870) 6.063 6.842 ( -1.897 2.934 7.713) 8.468 6.902 ( -0.426 -0.317 3.433) 3.474 6.977 ( -3.430 2.987 -1.596) 4.820 6.999 ( 1.008 4.989 0.023) 5.090 7.070 ( 1.701 -0.204 -3.766) 4.137 7.118 ( 3.958 6.367 -4.660) 8.828 7.305 ( 6.261 0.030 2.774) 6.848 7.394 ( 4.500 2.629 -4.083) 6.621 7.428 ( -3.533 8.633 4.321) 10.280 7.509 ( -1.376 6.871 -1.992) 7.285 7.756 ( 3.115 2.715 1.643) 4.447 7.806 ( 2.732 4.413 -0.706) 5.238 7.846 ( 4.080 3.849 1.320) 5.762 7.892 ( 3.557 4.058 -3.267) 6.308 8.133 ( -5.634 1.367 6.033) 8.367 8.281 ( -11.418 1.562 -6.506) 13.234 8.550 ( -5.566 3.368 6.059) 8.891 8.692 ( -7.469 5.602 -5.316) 10.744 9.008 ( 0.725 -0.950 4.413) 4.571 9.126 ( -2.254 -1.001 -5.110) 5.674 9.877 ( 7.463 -4.958 3.673) 9.683 9.954 ( 6.134 -5.029 -2.652) 8.364 10.163 ( -2.215 -6.994 0.944) 7.396 10.177 ( -1.592 -6.598 -0.234) 6.791 ======================= Grid point 108 (40/56) ======================= q-point: ( 0.43 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 10.749 11.111 1.809) 15.565 1.703 ( 4.591 9.360 -4.857) 11.501 1.813 ( 15.268 8.499 5.783) 18.406 1.981 ( 4.041 6.094 -3.696) 8.193 1.994 ( 0.910 7.567 -1.991) 7.877 2.053 ( -1.046 4.871 -3.065) 5.849 2.129 ( -11.119 8.085 2.743) 14.019 2.209 ( -5.409 6.238 -2.947) 8.767 2.414 ( -1.695 5.781 0.802) 6.077 2.449 ( -4.138 5.899 -1.903) 7.452 2.581 ( 5.013 8.999 5.807) 11.825 2.662 ( 0.156 5.015 -0.067) 5.018 2.745 ( -2.376 13.248 2.082) 13.620 2.784 ( -3.785 8.233 -1.391) 9.168 2.944 ( 0.883 -0.535 0.433) 1.120 3.001 ( -3.830 0.502 -3.580) 5.266 3.159 ( 15.976 16.453 8.356) 24.408 3.369 ( 9.925 12.465 -8.024) 17.841 3.473 ( -8.519 8.993 4.478) 13.172 3.595 ( -5.944 6.469 -3.654) 9.515 3.814 ( 3.635 -0.112 3.592) 5.111 3.858 ( -1.082 -2.411 -0.428) 2.677 3.972 ( -0.946 -6.568 0.593) 6.662 3.998 ( -3.182 -7.175 -1.174) 7.936 5.287 ( 0.578 0.750 1.706) 1.951 5.321 ( -1.927 -0.471 0.619) 2.078 5.380 ( -2.345 5.116 -1.548) 5.837 5.391 ( -2.842 5.147 -1.403) 6.045 6.005 ( 0.211 -2.728 1.894) 3.328 6.024 ( -1.130 -4.637 1.970) 5.163 6.142 ( 0.996 -1.370 -1.019) 1.977 6.204 ( -4.766 -2.378 -4.732) 7.124 6.355 ( -0.591 4.647 4.041) 6.187 6.390 ( -3.615 4.079 1.831) 5.750 6.640 ( 4.139 1.314 -2.627) 5.075 6.658 ( 2.265 4.226 -3.233) 5.783 6.822 ( 0.026 3.382 3.222) 4.671 6.858 ( -3.293 2.779 0.365) 4.324 6.924 ( -0.727 -1.020 -1.851) 2.235 6.949 ( -2.943 -0.833 -3.590) 4.716 7.188 ( 5.460 5.874 1.330) 8.129 7.203 ( 4.669 6.162 -0.388) 7.741 7.338 ( -3.696 8.891 2.157) 9.867 7.358 ( -2.961 6.684 0.437) 7.324 7.501 ( 4.785 0.714 2.670) 5.526 7.530 ( 2.721 -1.006 2.024) 3.537 7.799 ( 1.789 1.599 -1.075) 2.629 7.832 ( -0.370 3.166 -1.974) 3.749 7.913 ( 2.696 4.313 1.505) 5.304 7.939 ( 1.448 0.239 0.299) 1.498 8.033 ( -3.609 5.858 -2.862) 7.452 8.080 ( -7.573 4.343 -4.878) 10.000 8.505 ( 0.828 3.924 5.111) 6.496 8.564 ( -4.883 4.650 0.457) 6.758 9.041 ( 2.060 -2.055 0.193) 2.916 9.083 ( -2.136 -1.924 -2.984) 4.143 10.005 ( 5.487 -5.718 2.543) 8.323 10.056 ( 3.882 -5.481 -1.652) 6.916 10.104 ( -3.401 -6.778 1.607) 7.752 10.133 ( -2.857 -6.419 -0.808) 7.072 ======================= Grid point 112 (41/56) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 19.912 5.282) 20.601 1.636 ( 0.000 18.769 3.218) 19.043 1.747 ( 0.000 17.902 -8.850) 19.971 1.800 ( 0.000 15.580 -7.567) 17.320 2.129 ( 0.000 6.634 5.050) 8.338 2.173 ( 0.000 8.118 2.257) 8.426 2.282 ( 0.000 4.391 2.780) 5.197 2.362 ( 0.000 4.343 -4.599) 6.326 2.636 ( 0.000 1.970 5.096) 5.464 2.715 ( 0.000 6.727 -2.014) 7.022 2.766 ( 0.000 0.382 0.012) 0.382 2.821 ( 0.000 4.403 -2.970) 5.311 2.930 ( 0.000 23.864 7.044) 24.882 3.077 ( 0.000 7.338 -0.825) 7.384 3.281 ( 0.000 14.529 -5.367) 15.489 3.302 ( 0.000 13.653 -1.673) 13.755 3.339 ( 0.000 14.843 -0.682) 14.859 3.387 ( 0.000 16.327 -1.784) 16.424 3.521 ( 0.000 -0.560 2.736) 2.792 3.589 ( 0.000 -5.103 -0.116) 5.104 3.695 ( 0.000 -2.132 1.602) 2.667 3.746 ( 0.000 11.035 0.567) 11.050 3.860 ( 0.000 -11.726 2.160) 11.923 3.914 ( 0.000 -11.432 -1.275) 11.503 5.402 ( 0.000 0.149 1.319) 1.327 5.457 ( 0.000 4.800 -3.507) 5.945 5.697 ( 0.000 -1.373 2.158) 2.558 5.741 ( 0.000 -2.002 -2.101) 2.902 5.890 ( 0.000 -1.120 0.413) 1.194 5.893 ( 0.000 -1.413 0.654) 1.557 6.130 ( 0.000 -5.654 5.332) 7.772 6.277 ( 0.000 -3.205 -6.898) 7.606 6.345 ( 0.000 2.270 2.929) 3.706 6.439 ( 0.000 -1.871 -5.408) 5.723 6.629 ( 0.000 -0.871 5.093) 5.167 6.659 ( 0.000 0.450 1.229) 1.308 6.776 ( 0.000 -4.891 4.486) 6.637 6.926 ( 0.000 -2.152 -6.874) 7.203 7.074 ( 0.000 2.594 9.941) 10.274 7.104 ( 0.000 4.964 0.656) 5.007 7.165 ( 0.000 8.695 -2.359) 9.009 7.337 ( 0.000 5.000 -10.654) 11.769 7.378 ( 0.000 6.755 4.081) 7.892 7.451 ( 0.000 -0.878 -0.349) 0.944 7.592 ( 0.000 5.221 -0.920) 5.301 7.605 ( 0.000 7.286 -3.235) 7.972 7.753 ( 0.000 5.435 1.593) 5.664 7.786 ( 0.000 4.747 0.081) 4.748 7.808 ( 0.000 4.085 -0.248) 4.092 7.827 ( 0.000 5.677 -0.920) 5.751 8.327 ( 0.000 1.477 10.362) 10.467 8.549 ( 0.000 -3.653 -8.625) 9.367 8.687 ( 0.000 -1.204 4.772) 4.922 8.776 ( 0.000 -0.130 -2.162) 2.166 9.232 ( 0.000 3.056 3.457) 4.614 9.344 ( 0.000 1.368 -5.796) 5.956 9.564 ( 0.000 -0.220 3.660) 3.667 9.648 ( 0.000 -2.333 -3.189) 3.952 10.047 ( 0.000 -8.049 0.458) 8.062 10.055 ( 0.000 -7.624 -0.208) 7.627 ======================= Grid point 113 (42/56) ======================= q-point: ( 0.14 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.127 18.376 4.973) 19.715 1.641 ( 1.234 18.344 4.652) 18.965 1.788 ( 3.704 15.974 -8.512) 18.475 1.823 ( 3.018 14.732 -8.568) 17.308 2.147 ( 1.628 6.972 4.266) 8.334 2.197 ( 1.394 6.882 0.312) 7.028 2.284 ( 1.061 5.109 5.364) 7.483 2.393 ( 2.243 3.985 -4.505) 6.420 2.619 ( -1.542 2.880 3.895) 5.083 2.698 ( -1.950 4.524 -3.062) 5.801 2.736 ( -2.816 0.789 0.565) 2.978 2.790 ( -2.742 3.705 -2.828) 5.408 3.009 ( 6.070 21.717 6.797) 23.551 3.059 ( -1.690 3.834 3.034) 5.173 3.217 ( -6.897 10.642 -0.664) 12.699 3.253 ( -5.535 11.085 -3.020) 12.753 3.308 ( -1.679 14.580 0.178) 14.678 3.383 ( 3.409 21.566 -7.863) 23.207 3.564 ( 3.644 -4.032 2.865) 6.144 3.652 ( 4.369 -4.165 -3.138) 6.803 3.710 ( 1.486 4.069 3.914) 5.838 3.767 ( 1.648 10.972 0.684) 11.116 3.880 ( 1.579 -9.178 1.522) 9.436 3.917 ( 0.149 -10.691 -0.744) 10.718 5.373 ( -2.841 -0.607 0.889) 3.038 5.417 ( -2.933 4.128 -3.040) 5.906 5.611 ( -4.066 2.773 4.568) 6.715 5.706 ( -4.515 2.361 -3.570) 6.221 5.950 ( 4.998 -2.152 0.033) 5.442 5.963 ( 2.775 -2.165 -0.740) 3.597 6.118 ( -0.189 -5.096 6.786) 8.489 6.282 ( -0.199 -2.668 -5.282) 5.921 6.368 ( 1.862 -0.977 -1.775) 2.752 6.408 ( -1.808 0.388 -3.168) 3.668 6.660 ( 2.357 0.764 2.637) 3.618 6.697 ( 2.367 1.110 -0.521) 2.666 6.783 ( 0.860 -4.567 9.039) 10.163 6.927 ( -1.760 0.068 3.111) 3.575 7.008 ( -3.240 -0.916 -0.909) 3.487 7.090 ( 0.555 2.523 -1.259) 2.874 7.146 ( -1.575 8.393 -0.768) 8.574 7.260 ( -6.819 3.833 -8.277) 11.388 7.352 ( -1.319 7.407 2.914) 8.068 7.469 ( -0.044 4.327 -6.371) 7.702 7.583 ( 1.866 4.816 4.006) 6.536 7.653 ( 1.888 5.463 -1.495) 5.971 7.748 ( 0.996 3.761 4.499) 5.948 7.836 ( 2.535 4.709 -0.614) 5.383 7.842 ( 1.781 2.739 -0.549) 3.312 7.878 ( 5.583 4.810 -3.555) 8.182 8.266 ( -5.413 1.268 9.004) 10.582 8.454 ( -7.779 -2.360 -7.338) 10.951 8.688 ( -1.382 0.628 5.639) 5.839 8.801 ( 1.859 0.649 -3.624) 4.124 9.139 ( -7.120 3.968 3.380) 8.824 9.241 ( -7.165 2.492 -5.019) 9.096 9.652 ( 6.624 -2.229 3.538) 7.834 9.733 ( 6.144 -3.802 -3.095) 7.861 10.039 ( -0.837 -7.990 0.644) 8.060 10.051 ( -0.497 -7.642 -0.349) 7.666 ======================= Grid point 114 (43/56) ======================= q-point: ( 0.29 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 6.082 15.785 3.877) 17.355 1.739 ( 8.715 14.003 4.687) 17.146 1.869 ( 5.044 13.701 -6.078) 15.814 1.948 ( 8.685 10.908 -8.873) 16.527 2.175 ( -0.345 6.505 1.605) 6.709 2.199 ( -0.166 6.727 0.925) 6.792 2.326 ( 1.835 5.555 4.218) 7.212 2.409 ( -1.652 4.235 -2.469) 5.173 2.577 ( -2.787 3.780 1.436) 4.911 2.636 ( -4.298 3.669 -3.277) 6.532 2.680 ( -1.303 3.200 3.379) 4.833 2.746 ( -1.315 4.302 -0.373) 4.514 2.949 ( -5.484 -0.569 3.732) 6.657 3.028 ( -8.731 0.001 -2.067) 8.972 3.118 ( -6.340 10.220 -0.715) 12.048 3.166 ( -0.061 13.731 -1.843) 13.854 3.332 ( 7.167 21.912 6.106) 23.849 3.514 ( 8.243 20.477 -9.039) 23.853 3.638 ( 3.171 -3.524 3.588) 5.945 3.715 ( 1.591 -5.906 -0.196) 6.119 3.761 ( 3.369 9.403 0.243) 9.991 3.798 ( 1.447 9.472 0.182) 9.584 3.898 ( -0.678 -5.272 1.052) 5.418 3.915 ( -0.089 -5.876 -0.054) 5.876 5.316 ( -1.986 0.274 1.888) 2.753 5.372 ( -1.502 4.083 -2.928) 5.244 5.550 ( -2.381 6.030 3.363) 7.304 5.614 ( -4.409 6.546 -1.855) 8.107 5.972 ( -0.707 -1.501 1.150) 2.019 6.007 ( 0.572 -0.147 -1.960) 2.047 6.111 ( -1.012 -1.655 4.756) 5.137 6.251 ( -4.150 -4.212 -7.101) 9.241 6.405 ( 5.329 -1.480 0.201) 5.534 6.427 ( 0.983 0.821 -1.796) 2.206 6.628 ( -5.851 1.913 5.382) 8.177 6.714 ( 0.198 3.916 -2.182) 4.488 6.818 ( 2.646 -2.659 4.915) 6.183 6.919 ( -0.866 -1.108 2.695) 3.040 6.963 ( 0.988 -0.927 0.047) 1.355 7.107 ( -7.303 3.095 -5.541) 9.676 7.129 ( 1.198 5.570 1.823) 5.982 7.203 ( 8.467 1.215 -4.570) 9.698 7.354 ( 2.246 5.438 3.285) 6.738 7.483 ( 2.178 5.160 -6.686) 8.722 7.585 ( -2.577 6.045 4.781) 8.126 7.661 ( -1.935 7.045 -1.746) 7.511 7.782 ( 1.669 0.023 3.328) 3.723 7.864 ( 0.651 0.564 -2.311) 2.467 7.902 ( 3.203 2.902 2.781) 5.140 7.969 ( 2.706 3.676 -2.779) 5.344 8.157 ( -4.088 1.277 4.210) 6.006 8.278 ( -9.210 -0.317 -6.168) 11.089 8.641 ( -2.331 5.579 7.268) 9.454 8.797 ( -3.386 4.341 -6.193) 8.286 9.022 ( -2.950 2.402 4.968) 6.257 9.130 ( -3.991 1.456 -4.270) 6.023 9.780 ( 5.890 -4.614 3.032) 8.074 9.847 ( 5.105 -5.415 -2.506) 7.853 10.012 ( -1.901 -7.748 1.028) 8.044 10.033 ( -1.390 -7.501 -0.668) 7.658 ======================= Grid point 115 (44/56) ======================= q-point: ( 0.43 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 6.905 12.257 1.242) 14.123 1.902 ( 4.325 10.021 -1.618) 11.033 2.005 ( 9.183 10.231 2.599) 13.992 2.106 ( 2.875 6.314 -2.729) 7.455 2.144 ( 0.723 6.743 -0.643) 6.812 2.177 ( -2.934 7.763 -2.303) 8.613 2.294 ( -4.815 7.597 1.051) 9.055 2.343 ( -3.315 6.754 -1.693) 7.712 2.524 ( -0.911 5.105 1.080) 5.297 2.562 ( -2.775 5.529 -1.353) 6.332 2.699 ( 0.351 1.352 2.315) 2.703 2.722 ( 0.346 1.981 1.359) 2.427 2.844 ( -2.861 -1.125 4.186) 5.194 2.906 ( -4.854 0.255 5.355) 7.232 3.035 ( 0.513 8.943 -6.373) 10.993 3.104 ( -4.489 8.747 -6.712) 11.905 3.520 ( 9.034 17.588 6.173) 20.713 3.644 ( -2.343 5.899 4.417) 7.733 3.672 ( 5.877 16.602 -5.956) 18.591 3.747 ( 0.531 -2.085 -2.020) 2.951 3.785 ( 0.550 8.125 1.809) 8.342 3.832 ( -0.831 -1.276 1.272) 1.985 3.869 ( 0.434 0.170 -0.319) 0.565 3.903 ( -1.383 -0.037 -1.300) 1.898 5.311 ( 1.344 2.162 2.170) 3.345 5.347 ( -1.576 3.508 -0.448) 3.872 5.516 ( -0.505 8.031 0.124) 8.048 5.541 ( -2.709 8.848 -1.490) 9.372 5.965 ( 0.297 -0.454 1.329) 1.435 5.987 ( -1.734 0.562 -0.338) 1.854 6.113 ( 1.438 -1.234 0.744) 2.036 6.164 ( -3.708 -1.541 -3.386) 5.253 6.420 ( -0.120 1.696 3.167) 3.594 6.454 ( -3.034 1.800 2.659) 4.418 6.609 ( 6.052 -3.629 -0.784) 7.100 6.708 ( -2.015 0.184 -6.619) 6.921 6.877 ( -0.071 1.736 1.815) 2.513 6.884 ( 2.718 0.396 1.851) 3.312 6.949 ( -3.488 3.253 -2.088) 5.207 6.974 ( -4.630 3.100 -3.091) 6.372 7.257 ( 9.216 1.552 6.855) 11.590 7.354 ( 4.120 6.367 -1.549) 7.740 7.439 ( 4.492 1.010 2.852) 5.416 7.498 ( -3.526 3.614 4.850) 7.001 7.536 ( 0.824 3.892 -3.679) 5.419 7.577 ( -5.005 5.282 -1.580) 7.446 7.797 ( 1.161 -0.868 -1.250) 1.914 7.855 ( -2.575 -0.566 -4.456) 5.177 7.940 ( 1.448 1.542 2.248) 3.087 7.980 ( -1.537 2.725 -0.983) 3.280 8.124 ( -0.215 2.457 -0.006) 2.467 8.141 ( -3.036 2.688 -1.771) 4.425 8.628 ( 1.372 7.770 4.323) 8.997 8.696 ( -5.123 7.637 -1.176) 9.271 9.020 ( 1.665 0.223 1.096) 2.006 9.066 ( -2.737 0.355 -2.421) 3.671 9.883 ( 4.540 -6.234 2.287) 8.044 9.933 ( 3.443 -6.767 -1.781) 7.799 9.962 ( -3.015 -6.872 1.512) 7.655 9.995 ( -2.445 -7.067 -1.160) 7.568 ======================= Grid point 119 (45/56) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 15.996 3.102) 16.294 1.962 ( 0.000 13.869 -0.434) 13.875 2.091 ( 0.000 13.178 -2.821) 13.476 2.099 ( 0.000 16.360 -4.260) 16.905 2.261 ( 0.000 6.217 3.027) 6.914 2.323 ( 0.000 6.282 -2.755) 6.860 2.383 ( 0.000 5.487 2.839) 6.178 2.453 ( 0.000 4.706 -3.133) 5.653 2.675 ( 0.000 1.818 2.953) 3.467 2.732 ( 0.000 -1.025 -2.630) 2.822 2.753 ( 0.000 -0.998 4.186) 4.304 2.867 ( 0.000 1.510 -4.252) 4.512 3.056 ( 0.000 -5.584 10.660) 12.034 3.278 ( 0.000 -0.019 -7.939) 7.939 3.359 ( 0.000 -4.434 0.161) 4.437 3.362 ( 0.000 -9.262 -0.266) 9.266 3.524 ( 0.000 -9.999 -0.715) 10.024 3.535 ( 0.000 -12.162 -0.565) 12.175 3.576 ( 0.000 20.985 4.561) 21.475 3.680 ( 0.000 13.035 -2.213) 13.222 3.717 ( 0.000 12.363 1.906) 12.509 3.798 ( 0.000 14.327 -4.817) 15.115 4.006 ( 0.000 18.634 6.426) 19.711 4.120 ( 0.000 20.584 -3.425) 20.867 5.428 ( 0.000 2.076 4.194) 4.680 5.527 ( 0.000 1.464 -3.840) 4.109 5.707 ( 0.000 -1.141 -0.812) 1.400 5.712 ( 0.000 2.657 -1.018) 2.845 5.893 ( 0.000 1.083 1.005) 1.477 5.904 ( 0.000 2.597 0.013) 2.597 6.053 ( 0.000 -1.486 5.184) 5.393 6.203 ( 0.000 -3.383 -7.640) 8.356 6.418 ( 0.000 4.626 0.368) 4.641 6.431 ( 0.000 0.430 -0.900) 0.997 6.595 ( 0.000 -1.829 7.852) 8.062 6.647 ( 0.000 -1.505 1.145) 1.890 6.682 ( 0.000 -4.655 1.374) 4.853 6.836 ( 0.000 -5.606 -10.381) 11.798 7.077 ( 0.000 -0.998 7.128) 7.198 7.176 ( 0.000 0.500 0.993) 1.112 7.312 ( 0.000 5.241 -2.030) 5.620 7.344 ( 0.000 -0.347 -5.000) 5.012 7.465 ( 0.000 -0.130 2.364) 2.367 7.483 ( 0.000 2.830 2.446) 3.741 7.681 ( 0.000 3.333 -1.541) 3.672 7.692 ( 0.000 1.437 -1.087) 1.802 7.855 ( 0.000 3.513 0.055) 3.514 7.878 ( 0.000 6.665 -2.656) 7.175 7.909 ( 0.000 4.750 1.271) 4.917 7.927 ( 0.000 3.801 0.069) 3.801 8.356 ( 0.000 2.053 3.920) 4.425 8.462 ( 0.000 -3.690 -4.662) 5.945 8.716 ( 0.000 3.441 5.564) 6.542 8.813 ( 0.000 2.793 -2.485) 3.738 9.283 ( 0.000 1.979 2.565) 3.240 9.358 ( 0.000 0.105 -3.558) 3.560 9.569 ( 0.000 0.622 1.830) 1.933 9.615 ( 0.000 -0.987 -1.906) 2.146 9.891 ( 0.000 -7.193 0.735) 7.230 9.907 ( 0.000 -6.934 -0.546) 6.956 ======================= Grid point 120 (46/56) ======================= q-point: ( 0.14 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 2.808 15.040 2.473) 15.498 1.961 ( 0.125 13.524 1.092) 13.569 2.092 ( 0.578 13.006 -3.005) 13.361 2.107 ( 1.180 13.875 -4.305) 14.576 2.284 ( 1.731 6.382 1.772) 6.846 2.330 ( 0.371 6.095 -2.171) 6.481 2.395 ( 1.500 5.584 3.063) 6.544 2.473 ( 1.438 3.953 -3.133) 5.245 2.665 ( -1.032 1.836 2.866) 3.557 2.716 ( -2.003 -1.684 -0.174) 2.622 2.745 ( -0.262 1.096 1.474) 1.856 2.837 ( -2.224 1.425 -3.695) 4.542 3.013 ( -4.345 -4.333 9.258) 11.107 3.188 ( -8.242 -3.013 -4.777) 9.992 3.310 ( -6.030 -8.243 0.524) 10.227 3.363 ( -1.287 -2.506 -4.877) 5.633 3.466 ( -0.399 -4.735 3.224) 5.742 3.551 ( 2.883 -6.696 -3.825) 8.233 3.637 ( 4.877 19.090 6.393) 20.715 3.749 ( 5.538 11.911 -1.175) 13.188 3.803 ( 6.164 7.049 0.222) 9.367 3.835 ( 2.594 10.337 -3.684) 11.277 4.010 ( 0.673 18.288 5.301) 19.053 4.111 ( -0.826 19.901 -3.205) 20.175 5.386 ( -2.940 1.729 4.735) 5.835 5.502 ( -1.459 4.141 -4.804) 6.508 5.697 ( -0.761 5.038 1.849) 5.420 5.759 ( 1.753 2.061 -3.621) 4.520 5.920 ( 4.250 -0.078 1.698) 4.577 5.941 ( 2.184 -0.186 -0.439) 2.235 6.054 ( 0.444 -0.996 4.822) 4.944 6.201 ( -0.856 -4.000 -8.003) 8.988 6.407 ( -0.888 3.916 1.078) 4.158 6.434 ( 0.498 1.793 -1.246) 2.240 6.637 ( 4.193 -2.616 6.928) 8.511 6.681 ( 1.415 -2.676 1.407) 3.339 6.706 ( 3.155 -2.659 2.961) 5.079 6.854 ( 0.596 -5.261 -6.754) 8.582 7.010 ( -4.879 -0.124 4.805) 6.849 7.120 ( -2.640 -0.193 -2.595) 3.707 7.278 ( -3.960 3.937 -1.693) 5.835 7.305 ( -3.718 2.467 -4.082) 6.047 7.469 ( -0.952 3.208 2.503) 4.179 7.501 ( 3.031 -0.690 0.540) 3.155 7.680 ( -0.330 3.188 1.643) 3.601 7.722 ( 2.081 1.765 -1.641) 3.184 7.815 ( -2.142 3.294 2.473) 4.642 7.888 ( -0.340 2.557 -2.945) 3.915 7.933 ( 1.524 4.192 0.220) 4.466 7.957 ( 2.939 2.813 -1.161) 4.231 8.313 ( -3.906 3.850 3.615) 6.568 8.409 ( -4.718 -1.390 -4.594) 6.730 8.740 ( 1.641 4.013 5.473) 6.982 8.834 ( 1.913 2.359 -2.476) 3.918 9.211 ( -5.954 3.121 2.575) 7.199 9.284 ( -5.834 1.668 -3.341) 6.926 9.619 ( 3.920 -1.114 1.922) 4.506 9.667 ( 3.993 -2.673 -2.027) 5.215 9.884 ( -0.677 -7.116 0.832) 7.196 9.902 ( -0.474 -6.953 -0.634) 6.998 ======================= Grid point 121 (47/56) ======================= q-point: ( 0.29 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 3.045 11.382 2.564) 12.058 2.008 ( 4.301 12.388 0.986) 13.151 2.127 ( 3.103 11.524 -2.401) 12.174 2.159 ( 3.845 9.913 -3.707) 11.260 2.298 ( -0.859 5.666 1.022) 5.821 2.340 ( 0.602 6.804 -2.605) 7.311 2.434 ( 2.127 4.838 2.209) 5.728 2.481 ( -1.545 2.782 -1.220) 3.409 2.634 ( -1.676 2.166 1.325) 3.043 2.666 ( -3.172 -0.808 -0.661) 3.339 2.734 ( 0.303 2.745 3.794) 4.693 2.814 ( -1.841 2.739 -0.110) 3.302 2.909 ( -3.840 -2.804 3.070) 5.660 2.986 ( -10.941 -3.009 -2.977) 11.731 3.169 ( -6.638 -5.429 0.987) 8.632 3.297 ( -4.844 -2.489 -8.791) 10.341 3.519 ( 4.585 -3.806 6.435) 8.770 3.641 ( 5.043 -2.573 -3.761) 6.797 3.741 ( 4.377 13.177 6.781) 15.452 3.839 ( 0.382 3.989 4.032) 5.685 3.888 ( 5.800 15.351 -4.338) 16.974 3.920 ( 4.860 7.409 -2.555) 9.222 4.037 ( 1.620 16.028 1.975) 16.230 4.091 ( -1.063 18.029 -2.308) 18.207 5.353 ( 0.042 3.478 4.962) 6.060 5.481 ( -0.863 6.225 -5.776) 8.536 5.682 ( -0.701 6.806 3.642) 7.751 5.756 ( -1.133 7.258 -2.622) 7.800 5.973 ( 1.187 1.350 1.408) 2.284 6.011 ( 2.873 0.321 -1.634) 3.320 6.086 ( 1.979 -1.464 1.964) 3.149 6.163 ( -2.149 -3.911 -4.497) 6.336 6.398 ( 1.063 1.082 1.752) 2.317 6.451 ( 0.560 1.706 -2.857) 3.375 6.616 ( -6.752 -2.875 7.284) 10.339 6.740 ( 3.073 -0.834 -0.268) 3.195 6.788 ( 3.069 -1.266 0.032) 3.320 6.850 ( 0.923 -3.465 -3.734) 5.177 6.964 ( 2.769 -0.206 7.205) 7.722 7.136 ( -1.446 -0.357 -5.826) 6.013 7.221 ( 3.828 1.568 -0.854) 4.224 7.228 ( -3.370 4.051 -0.639) 5.308 7.460 ( 0.828 3.629 1.955) 4.204 7.544 ( 0.540 -0.115 -3.844) 3.884 7.651 ( -3.244 0.577 3.960) 5.152 7.736 ( -1.967 0.334 -2.888) 3.510 7.773 ( -1.379 -0.254 4.080) 4.314 7.863 ( -2.177 -0.188 -2.780) 3.536 7.974 ( 3.022 4.109 1.100) 5.218 8.026 ( 3.312 2.293 -3.006) 5.026 8.227 ( -3.967 6.059 3.116) 7.884 8.296 ( -6.151 2.367 -3.182) 7.319 8.763 ( 0.840 6.190 5.130) 8.083 8.870 ( 0.945 3.215 -3.985) 5.207 9.089 ( -5.247 3.758 3.914) 7.548 9.172 ( -4.896 2.356 -3.109) 6.260 9.697 ( 3.746 -3.532 1.821) 5.461 9.744 ( 3.459 -4.745 -1.997) 6.203 9.864 ( -1.343 -6.760 1.069) 6.975 9.887 ( -1.093 -6.832 -0.820) 6.968 ======================= Grid point 122 (48/56) ======================= q-point: ( 0.43 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 4.783 9.187 1.018) 10.407 2.092 ( 3.454 9.106 -0.005) 9.739 2.200 ( 2.905 8.675 -0.170) 9.150 2.225 ( 1.072 5.405 -1.356) 5.675 2.272 ( 0.062 6.093 1.727) 6.333 2.333 ( -1.984 7.072 -2.485) 7.754 2.410 ( -2.209 3.242 0.318) 3.935 2.455 ( -2.033 3.446 -1.863) 4.413 2.612 ( 0.925 3.587 1.049) 3.850 2.648 ( 2.974 2.311 -1.651) 4.113 2.704 ( -6.307 2.801 2.703) 7.412 2.756 ( -5.081 1.317 -0.872) 5.321 2.815 ( 1.418 -0.924 6.009) 6.243 2.893 ( -2.570 -1.391 3.443) 4.516 3.101 ( 1.300 -3.229 -5.743) 6.716 3.187 ( -5.764 -2.395 -9.495) 11.362 3.621 ( 5.130 -1.189 7.311) 9.010 3.697 ( -1.187 2.021 3.879) 4.532 3.789 ( 2.255 0.492 0.586) 2.381 3.832 ( -1.064 5.280 0.199) 5.390 3.994 ( 3.918 11.646 -1.471) 12.375 4.004 ( 3.399 12.642 -1.795) 13.214 4.051 ( -0.382 15.087 -0.162) 15.093 4.068 ( -1.513 16.092 -1.349) 16.219 5.387 ( 3.052 5.470 3.340) 7.099 5.450 ( -2.586 6.545 -1.473) 7.190 5.684 ( 1.273 8.297 0.680) 8.422 5.724 ( -2.154 8.921 -2.280) 9.456 5.998 ( 1.442 3.406 1.295) 3.919 6.030 ( -1.137 3.298 -1.322) 3.730 6.094 ( 1.071 -0.784 1.443) 1.961 6.132 ( -1.877 -2.011 -1.719) 3.244 6.433 ( 0.286 -0.114 1.303) 1.339 6.462 ( -1.584 -0.793 1.161) 2.118 6.528 ( 3.583 -3.714 1.647) 5.417 6.661 ( -6.911 -4.271 -6.928) 10.677 6.897 ( 6.315 1.151 1.423) 6.575 6.920 ( 3.863 2.355 -0.292) 4.533 7.009 ( -1.509 2.235 0.908) 2.845 7.042 ( -5.631 3.311 -1.867) 6.794 7.256 ( 7.757 -1.186 8.208) 11.356 7.394 ( 9.757 -1.366 -3.104) 10.329 7.443 ( -7.333 -1.866 7.355) 10.552 7.538 ( 3.752 2.347 -0.840) 4.504 7.586 ( -5.837 -1.569 -1.646) 6.264 7.633 ( -4.755 0.918 -6.924) 8.450 7.773 ( 0.687 -1.971 -0.316) 2.111 7.812 ( -2.579 -3.018 -3.406) 5.231 8.036 ( 2.627 7.008 1.513) 7.635 8.065 ( 0.212 5.701 -1.292) 5.849 8.176 ( -0.996 3.793 1.879) 4.348 8.194 ( -3.187 3.166 0.192) 4.496 8.788 ( 1.993 7.661 2.677) 8.356 8.844 ( -3.133 6.823 -2.007) 7.771 9.046 ( 0.869 1.970 2.163) 3.052 9.092 ( -3.279 1.847 -1.635) 4.103 9.764 ( 2.875 -5.484 1.284) 6.324 9.795 ( 0.940 -6.549 -1.190) 6.722 9.838 ( -0.594 -5.631 0.822) 5.722 9.859 ( -1.640 -6.293 -0.904) 6.566 ======================= Grid point 126 (49/56) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.000 11.298 0.965) 11.339 2.194 ( 0.000 9.455 -0.165) 9.457 2.318 ( 0.000 8.658 0.616) 8.680 2.370 ( 0.000 5.141 1.356) 5.317 2.376 ( 0.000 10.693 -2.598) 11.004 2.413 ( 0.000 2.947 -5.110) 5.899 2.496 ( 0.000 5.567 1.588) 5.789 2.546 ( 0.000 4.443 -2.680) 5.189 2.673 ( 0.000 -2.306 0.748) 2.425 2.689 ( 0.000 -3.501 -0.605) 3.553 2.773 ( 0.000 3.083 6.200) 6.925 2.892 ( 0.000 0.927 -4.381) 4.478 2.920 ( 0.000 -6.629 9.923) 11.934 3.093 ( 0.000 -9.845 -3.319) 10.389 3.240 ( 0.000 -12.810 1.155) 12.862 3.257 ( 0.000 -11.588 -0.643) 11.606 3.304 ( 0.000 -2.617 -1.204) 2.880 3.320 ( 0.000 -2.445 -4.500) 5.121 3.902 ( 0.000 9.900 6.467) 11.825 3.934 ( 0.000 9.027 1.691) 9.184 3.993 ( 0.000 14.025 -1.867) 14.148 4.054 ( 0.000 11.204 -4.995) 12.267 4.401 ( 0.000 18.105 4.416) 18.636 4.495 ( 0.000 15.409 -3.326) 15.764 5.471 ( 0.000 1.942 6.042) 6.346 5.531 ( 0.000 -0.436 1.188) 1.266 5.702 ( 0.000 0.706 -2.910) 2.995 5.760 ( 0.000 1.378 -7.328) 7.456 5.921 ( 0.000 1.534 2.638) 3.051 5.974 ( 0.000 2.802 -2.088) 3.494 6.075 ( 0.000 3.364 4.298) 5.458 6.172 ( 0.000 1.234 -4.006) 4.192 6.429 ( 0.000 -1.130 5.737) 5.847 6.513 ( 0.000 4.300 -1.972) 4.730 6.570 ( 0.000 -1.710 2.242) 2.820 6.597 ( 0.000 -3.646 0.055) 3.647 6.604 ( 0.000 -1.313 1.445) 1.953 6.722 ( 0.000 -5.309 -8.701) 10.193 7.057 ( 0.000 -0.755 4.500) 4.563 7.132 ( 0.000 -3.458 0.041) 3.459 7.364 ( 0.000 1.264 -0.677) 1.434 7.368 ( 0.000 0.589 -0.851) 1.035 7.433 ( 0.000 -2.184 3.106) 3.797 7.495 ( 0.000 -0.953 -0.763) 1.221 7.698 ( 0.000 -0.235 0.265) 0.354 7.717 ( 0.000 0.318 -1.967) 1.993 7.928 ( 0.000 3.196 1.862) 3.699 7.975 ( 0.000 1.455 0.428) 1.517 7.982 ( 0.000 2.582 0.061) 2.582 7.983 ( 0.000 3.347 -2.496) 4.175 8.418 ( 0.000 3.640 -0.730) 3.712 8.432 ( 0.000 0.740 -1.569) 1.735 8.792 ( 0.000 3.543 4.322) 5.588 8.860 ( 0.000 1.596 -1.499) 2.189 9.312 ( 0.000 1.062 1.419) 1.772 9.353 ( 0.000 -0.475 -1.889) 1.948 9.585 ( 0.000 0.880 0.798) 1.188 9.605 ( 0.000 -0.064 -0.856) 0.859 9.769 ( 0.000 -4.771 0.698) 4.822 9.786 ( 0.000 -4.941 -0.686) 4.989 ======================= Grid point 127 (50/56) ======================= q-point: ( 0.14 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -0.435 9.479 0.560) 9.505 2.189 ( 0.349 9.852 0.221) 9.860 2.311 ( -0.143 8.826 0.461) 8.839 2.338 ( -1.188 8.171 -0.402) 8.266 2.399 ( 0.715 5.302 -0.529) 5.376 2.429 ( 1.150 3.802 -4.824) 6.249 2.502 ( 0.524 5.011 1.393) 5.227 2.547 ( -0.291 2.954 -2.222) 3.708 2.658 ( -1.431 -2.638 1.178) 3.224 2.675 ( -1.220 -2.614 -0.051) 2.885 2.783 ( 0.963 2.898 3.806) 4.880 2.850 ( -2.281 -0.402 -0.196) 2.324 2.927 ( -0.978 -3.076 5.624) 6.484 3.056 ( -4.445 -7.859 -1.691) 9.186 3.142 ( -6.623 -7.413 0.644) 9.962 3.192 ( -3.304 -11.462 -4.355) 12.699 3.380 ( 4.193 -2.944 -0.447) 5.143 3.408 ( 7.188 -5.146 -1.949) 9.052 3.910 ( 0.283 8.148 5.874) 10.049 3.947 ( 0.870 7.218 1.744) 7.476 4.033 ( 3.879 13.253 -1.242) 13.865 4.093 ( 3.647 11.449 -4.992) 13.012 4.392 ( -0.904 17.494 4.113) 17.994 4.477 ( -1.759 15.153 -3.022) 15.552 5.437 ( -1.209 3.214 6.544) 7.391 5.572 ( 2.042 2.329 -3.492) 4.668 5.753 ( 4.298 -0.537 -1.880) 4.721 5.787 ( 2.872 1.916 -3.779) 5.118 5.945 ( 2.211 1.151 1.026) 2.696 5.971 ( 0.198 3.254 -0.882) 3.377 6.076 ( -0.100 2.894 3.426) 4.486 6.156 ( -1.569 0.211 -3.456) 3.801 6.460 ( 2.447 -0.013 3.678) 4.418 6.496 ( -1.734 4.440 -0.367) 4.781 6.572 ( 0.576 -2.952 3.310) 4.473 6.635 ( 3.154 -2.044 0.161) 3.762 6.646 ( 4.136 -3.002 2.040) 5.503 6.750 ( 1.820 -4.724 -6.163) 7.976 7.005 ( -4.006 -0.126 2.904) 4.949 7.085 ( -2.548 -2.616 -3.132) 4.811 7.315 ( -3.891 0.909 0.970) 4.112 7.357 ( -1.901 1.520 -2.423) 3.435 7.460 ( 1.864 -2.550 1.919) 3.696 7.486 ( -0.344 -0.988 0.349) 1.103 7.693 ( -1.268 -0.848 1.835) 2.386 7.731 ( 0.431 -1.016 -1.630) 1.969 7.883 ( -4.076 3.253 2.005) 5.587 7.938 ( -3.027 1.902 -1.168) 3.761 7.994 ( 1.485 2.309 -1.361) 3.064 8.006 ( 2.169 2.112 -0.935) 3.168 8.405 ( -1.505 4.435 -0.050) 4.683 8.417 ( -1.562 2.047 -1.169) 2.828 8.821 ( 2.534 3.618 3.581) 5.687 8.878 ( 1.744 1.685 -1.206) 2.709 9.263 ( -4.494 1.995 1.589) 5.167 9.306 ( -4.153 0.551 -1.952) 4.622 9.605 ( 1.676 -0.272 0.805) 1.879 9.627 ( 1.808 -1.291 -0.997) 2.435 9.763 ( -0.573 -4.782 0.751) 4.874 9.781 ( -0.521 -5.006 -0.693) 5.081 ======================= Grid point 128 (51/56) ======================= q-point: ( 0.29 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.039 7.307 1.645) 7.490 2.204 ( 1.028 6.966 -0.963) 7.107 2.323 ( 0.798 8.259 0.761) 8.332 2.337 ( 1.165 6.987 -0.242) 7.088 2.397 ( -1.191 4.000 0.031) 4.174 2.446 ( 0.332 3.435 -4.666) 5.803 2.505 ( -2.605 -0.438 0.253) 2.654 2.507 ( -1.941 1.218 0.034) 2.292 2.641 ( 0.383 0.146 1.249) 1.315 2.661 ( 0.530 0.397 -0.366) 0.757 2.792 ( -0.195 2.658 2.851) 3.902 2.846 ( 1.846 -0.502 -1.811) 2.634 2.874 ( -4.015 0.885 3.629) 5.484 2.928 ( -7.360 -2.832 -0.770) 7.924 3.014 ( -5.208 -6.969 2.535) 9.062 3.136 ( -3.215 -10.336 -6.997) 12.889 3.487 ( 6.734 -0.691 3.388) 7.570 3.571 ( 8.844 -3.645 -3.401) 10.153 3.887 ( -2.926 5.412 5.330) 8.141 3.949 ( -1.155 3.997 0.293) 4.171 4.132 ( 5.503 11.836 -0.063) 13.053 4.182 ( 4.814 11.386 -3.948) 12.977 4.369 ( -1.418 15.199 2.963) 15.550 4.428 ( -3.053 14.028 -2.046) 14.501 5.449 ( 2.421 5.857 5.930) 8.679 5.603 ( 1.091 5.503 -6.932) 8.918 5.803 ( 1.226 4.388 2.540) 5.216 5.872 ( 3.163 2.544 -3.755) 5.530 6.001 ( 3.067 0.993 0.405) 3.249 6.009 ( 4.122 0.403 0.077) 4.142 6.072 ( 0.060 1.384 1.876) 2.332 6.118 ( -1.764 -0.703 -2.014) 2.768 6.446 ( -2.707 3.265 1.919) 4.655 6.489 ( -0.349 1.608 -1.366) 2.139 6.543 ( -4.444 -3.518 4.933) 7.514 6.670 ( -2.427 -5.854 -4.647) 7.858 6.763 ( 6.874 -0.229 4.348) 8.137 6.811 ( 7.339 -1.424 0.342) 7.483 6.962 ( 1.418 0.523 2.994) 3.354 7.108 ( 3.780 -2.124 -7.251) 8.449 7.256 ( -0.806 1.673 1.529) 2.405 7.291 ( -4.490 2.397 -1.450) 5.292 7.471 ( 0.240 -2.343 1.017) 2.565 7.492 ( -0.837 -3.967 -0.009) 4.054 7.635 ( -3.610 -1.404 1.845) 4.290 7.699 ( -4.069 -2.890 -3.298) 5.982 7.789 ( -4.487 1.531 3.083) 5.655 7.859 ( -4.915 -0.247 -2.220) 5.399 8.057 ( 4.819 3.834 -0.171) 6.161 8.077 ( 4.600 2.643 -1.640) 5.553 8.357 ( -3.341 5.773 1.042) 6.751 8.366 ( -3.557 4.045 0.113) 5.388 8.873 ( 2.449 4.480 2.626) 5.742 8.926 ( 2.760 2.180 -1.746) 3.926 9.158 ( -5.368 2.965 2.348) 6.566 9.212 ( -4.888 1.363 -2.041) 5.469 9.641 ( 1.749 -2.054 0.726) 2.794 9.664 ( 1.678 -3.040 -1.242) 3.688 9.748 ( -0.865 -4.696 0.903) 4.859 9.766 ( -0.900 -5.053 -0.648) 5.173 ======================= Grid point 129 (52/56) ======================= q-point: ( 0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 3.200 4.039 1.983) 5.522 2.239 ( 2.038 4.131 -0.668) 4.654 2.304 ( -2.509 2.645 1.019) 3.785 2.337 ( -4.055 2.849 -0.874) 5.032 2.383 ( 2.534 5.331 1.179) 6.019 2.432 ( -2.417 1.770 1.190) 3.223 2.450 ( 0.464 3.584 -3.769) 5.222 2.478 ( -1.839 0.634 -2.404) 3.093 2.683 ( 3.824 3.481 1.058) 5.278 2.701 ( 3.244 2.252 -0.497) 3.980 2.777 ( -4.199 3.222 0.586) 5.325 2.785 ( -5.145 1.134 0.699) 5.314 2.818 ( 0.296 1.283 3.372) 3.620 2.856 ( -1.796 -1.772 2.220) 3.360 2.981 ( 2.403 -6.102 -2.349) 6.966 3.058 ( -4.334 -8.024 -6.502) 11.200 3.637 ( 7.920 1.743 5.144) 9.603 3.738 ( 5.967 0.105 -2.691) 6.546 3.798 ( -4.248 2.149 4.563) 6.595 3.887 ( -5.106 1.086 -2.242) 5.681 4.233 ( 4.227 11.210 0.521) 11.992 4.263 ( 2.433 11.602 -1.876) 12.002 4.337 ( -1.187 12.003 1.230) 12.124 4.365 ( -2.997 12.194 -1.088) 12.604 5.523 ( 4.488 7.786 3.385) 9.603 5.598 ( -2.223 7.812 -2.497) 8.497 5.830 ( 2.097 5.590 1.156) 6.082 5.878 ( -1.926 5.624 -2.569) 6.476 6.057 ( 2.057 -0.147 1.120) 2.347 6.072 ( 0.622 -2.587 0.087) 2.662 6.087 ( 1.702 3.232 0.534) 3.692 6.112 ( 0.295 2.267 -1.227) 2.594 6.419 ( 0.265 -0.817 0.970) 1.295 6.443 ( -3.099 -0.899 0.512) 3.267 6.475 ( 0.156 -1.685 1.175) 2.060 6.561 ( -6.613 -5.253 -4.274) 9.465 6.926 ( 8.793 1.772 2.342) 9.271 6.973 ( 6.319 2.675 -1.171) 6.961 7.036 ( 2.738 0.833 3.143) 4.251 7.101 ( -5.394 2.636 -2.035) 6.339 7.231 ( 1.866 -0.803 5.046) 5.439 7.339 ( 6.276 -3.977 -1.432) 7.567 7.379 ( -6.771 -3.788 3.592) 8.550 7.491 ( -2.961 -5.820 -3.590) 7.452 7.588 ( -0.683 1.245 -1.215) 1.869 7.618 ( -1.382 -1.439 -4.055) 4.520 7.725 ( -1.693 -2.418 0.076) 2.953 7.756 ( -4.611 -2.523 -2.480) 5.812 8.165 ( 5.353 5.167 0.786) 7.482 8.174 ( 4.930 4.784 0.125) 6.871 8.273 ( -4.562 5.003 1.627) 6.963 8.284 ( -4.603 5.275 0.875) 7.056 8.922 ( 2.559 5.546 1.391) 6.264 8.961 ( -0.265 4.710 -2.077) 5.155 9.084 ( -0.837 1.559 2.314) 2.913 9.124 ( -3.723 1.032 -1.172) 4.037 9.672 ( 1.338 -3.452 0.266) 3.712 9.686 ( 0.247 -4.046 -0.964) 4.167 9.736 ( -0.099 -4.472 0.701) 4.528 9.747 ( -0.966 -4.824 -0.331) 4.931 ======================= Grid point 133 (53/56) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.000 5.646 0.693) 5.689 2.364 ( 0.000 7.278 -0.709) 7.312 2.396 ( 0.000 0.835 0.803) 1.159 2.439 ( 0.000 -0.042 -2.910) 2.910 2.493 ( 0.000 4.568 0.364) 4.583 2.521 ( 0.000 3.718 -2.128) 4.284 2.569 ( 0.000 -4.297 1.541) 4.565 2.595 ( 0.000 -4.711 0.922) 4.801 2.598 ( 0.000 4.399 0.969) 4.504 2.648 ( 0.000 1.085 -1.356) 1.737 2.842 ( 0.000 1.676 2.248) 2.804 2.845 ( 0.000 2.261 4.954) 5.446 2.885 ( 0.000 -2.100 -1.948) 2.864 2.959 ( 0.000 -5.521 -3.715) 6.655 3.022 ( 0.000 -5.201 2.345) 5.705 3.062 ( 0.000 -6.636 -1.086) 6.724 3.282 ( 0.000 -0.297 -1.016) 1.059 3.289 ( 0.000 -1.006 -1.916) 2.164 4.032 ( 0.000 3.549 3.500) 4.984 4.045 ( 0.000 2.327 2.187) 3.193 4.196 ( 0.000 5.624 -1.388) 5.792 4.213 ( 0.000 3.910 -2.510) 4.647 4.670 ( 0.000 7.875 1.366) 7.993 4.702 ( 0.000 4.690 -1.237) 4.850 5.502 ( 0.000 1.111 6.441) 6.536 5.519 ( 0.000 -0.702 4.679) 4.732 5.731 ( 0.000 1.859 -6.882) 7.128 5.762 ( 0.000 -0.960 -8.889) 8.941 5.954 ( 0.000 1.691 1.626) 2.345 5.984 ( 0.000 -1.077 -1.412) 1.776 6.165 ( 0.000 4.897 5.775) 7.571 6.225 ( 0.000 0.784 2.637) 2.751 6.408 ( 0.000 1.271 2.680) 2.966 6.499 ( 0.000 -5.803 -1.857) 6.093 6.542 ( 0.000 0.204 -2.749) 2.756 6.561 ( 0.000 -0.232 -5.240) 5.246 6.623 ( 0.000 1.465 0.942) 1.742 6.647 ( 0.000 -1.684 -1.780) 2.451 7.052 ( 0.000 0.282 3.158) 3.170 7.074 ( 0.000 -2.023 1.984) 2.833 7.360 ( 0.000 -0.605 1.759) 1.860 7.364 ( 0.000 -0.905 2.863) 3.003 7.422 ( 0.000 1.326 -1.624) 2.096 7.461 ( 0.000 -2.142 -2.976) 3.667 7.696 ( 0.000 0.228 0.052) 0.233 7.708 ( 0.000 -0.815 -1.051) 1.330 7.973 ( 0.000 1.373 2.114) 2.521 7.987 ( 0.000 -0.068 1.465) 1.467 8.019 ( 0.000 1.118 -1.421) 1.808 8.024 ( 0.000 0.759 -2.289) 2.412 8.466 ( 0.000 1.673 -0.397) 1.719 8.473 ( 0.000 1.277 -1.075) 1.669 8.848 ( 0.000 2.014 1.925) 2.786 8.872 ( 0.000 -0.371 -0.137) 0.396 9.329 ( 0.000 0.667 0.403) 0.780 9.342 ( 0.000 -0.616 -0.625) 0.878 9.601 ( 0.000 0.586 0.355) 0.685 9.606 ( 0.000 -0.002 -0.096) 0.096 9.706 ( 0.000 -1.409 0.179) 1.420 9.714 ( 0.000 -2.126 -0.453) 2.173 ======================= Grid point 134 (54/56) ======================= q-point: ( 0.14 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( -1.204 6.110 0.749) 6.272 2.355 ( -1.287 6.906 -0.568) 7.047 2.398 ( 0.201 0.602 1.042) 1.220 2.443 ( 0.298 0.013 -2.738) 2.754 2.475 ( -1.738 3.376 1.134) 3.962 2.507 ( -1.384 1.537 -1.637) 2.637 2.525 ( -2.630 -2.229 -0.104) 3.449 2.556 ( -3.245 -2.816 -1.651) 4.603 2.622 ( 1.597 2.246 2.437) 3.678 2.663 ( 1.025 0.856 -0.665) 1.492 2.835 ( -0.747 0.550 3.570) 3.689 2.846 ( 0.245 3.090 1.966) 3.671 2.882 ( -0.373 -2.082 -0.287) 2.135 2.959 ( -0.397 -6.090 -3.805) 7.192 2.984 ( -3.267 -3.041 2.025) 4.901 3.024 ( -3.408 -4.591 -1.365) 5.878 3.341 ( 5.200 -0.818 -0.847) 5.331 3.348 ( 6.098 -1.428 -1.163) 6.371 4.022 ( -1.228 3.200 3.023) 4.570 4.036 ( -1.018 1.829 1.691) 2.691 4.229 ( 3.170 5.607 -0.920) 6.506 4.249 ( 3.393 3.651 -2.368) 5.519 4.652 ( -1.903 7.629 1.403) 7.987 4.682 ( -2.121 4.657 -1.053) 5.224 5.509 ( 1.763 3.705 5.851) 7.147 5.573 ( 4.123 -2.208 2.263) 5.195 5.759 ( 2.867 1.540 -5.831) 6.677 5.793 ( 2.822 -1.184 -7.235) 7.855 5.975 ( 2.065 1.672 1.447) 3.026 6.000 ( 1.660 -0.391 -0.982) 1.968 6.153 ( -1.438 4.067 4.343) 6.121 6.193 ( -3.083 1.130 1.953) 3.821 6.442 ( 3.125 0.480 3.178) 4.483 6.514 ( 1.638 -4.805 -0.878) 5.152 6.561 ( -0.613 1.532 -2.113) 2.680 6.574 ( 1.235 -0.681 -2.349) 2.739 6.645 ( 3.035 1.039 1.532) 3.555 6.677 ( 3.179 -2.435 -1.718) 4.357 7.010 ( -3.035 0.738 1.187) 3.341 7.037 ( -2.238 -1.927 -0.902) 3.088 7.330 ( -2.161 0.987 2.499) 3.448 7.360 ( -0.806 -1.376 0.934) 1.848 7.425 ( -0.268 0.129 -0.773) 0.828 7.454 ( -0.795 -1.969 -2.000) 2.917 7.681 ( -1.945 0.131 0.745) 2.087 7.700 ( -1.342 -1.577 -0.903) 2.259 7.935 ( -4.142 1.860 1.860) 4.906 7.955 ( -3.773 -0.133 0.933) 3.888 8.031 ( 2.205 1.121 -2.059) 3.219 8.035 ( 2.254 0.696 -1.810) 2.973 8.462 ( -0.587 1.810 0.192) 1.912 8.468 ( -0.690 1.412 -0.347) 1.609 8.876 ( 2.601 1.836 1.477) 3.510 8.895 ( 2.166 -0.042 -0.087) 2.168 9.293 ( -3.435 1.080 0.456) 3.630 9.307 ( -3.261 -0.370 -0.725) 3.361 9.606 ( 0.461 0.241 0.337) 0.620 9.612 ( 0.518 -0.396 -0.159) 0.671 9.699 ( -0.669 -1.471 0.204) 1.628 9.707 ( -0.657 -2.196 -0.438) 2.333 ======================= Grid point 135 (55/56) ======================= q-point: ( 0.29 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -2.539 5.581 0.739) 6.176 2.310 ( -2.660 4.374 -0.201) 5.124 2.390 ( -1.954 -2.069 1.033) 3.027 2.397 ( -4.988 -3.479 1.459) 6.254 2.460 ( 0.686 3.444 -1.367) 3.768 2.482 ( -0.618 0.738 -1.621) 1.885 2.498 ( -1.181 0.523 -1.617) 2.070 2.505 ( -0.181 0.197 -2.183) 2.199 2.662 ( 2.525 1.869 1.772) 3.607 2.688 ( 1.617 0.913 -0.053) 1.858 2.816 ( -1.210 0.725 2.824) 3.157 2.850 ( -0.152 0.558 -0.081) 0.583 2.874 ( -0.289 -0.383 1.122) 1.220 2.914 ( -3.437 1.507 0.080) 3.753 2.921 ( -3.344 -4.472 -0.245) 5.590 2.962 ( -1.983 -4.845 -2.487) 5.796 3.483 ( 8.767 0.472 0.631) 8.802 3.510 ( 9.667 -2.268 -1.524) 10.046 3.971 ( -4.136 2.773 2.352) 5.507 3.994 ( -3.511 0.544 0.489) 3.586 4.311 ( 4.744 5.405 -0.107) 7.193 4.333 ( 4.729 3.361 -1.845) 6.088 4.594 ( -3.793 6.589 1.216) 7.700 4.617 ( -4.197 4.367 -0.682) 6.095 5.575 ( 4.793 6.320 4.193) 8.972 5.664 ( 4.790 -0.902 -2.372) 5.421 5.831 ( 3.352 0.296 -1.726) 3.782 5.863 ( 3.824 -1.680 -3.878) 5.699 6.026 ( 2.464 1.989 1.877) 3.681 6.050 ( 3.309 0.646 -0.394) 3.395 6.112 ( -2.342 2.012 1.425) 3.401 6.125 ( -2.318 0.788 0.629) 2.528 6.478 ( -1.104 -0.054 1.681) 2.012 6.514 ( -2.989 0.532 -0.661) 3.107 6.514 ( -3.558 0.312 0.627) 3.626 6.560 ( -2.898 -3.633 -2.232) 5.156 6.766 ( 8.456 0.430 5.095) 9.882 6.782 ( 8.513 -1.208 3.546) 9.301 6.994 ( 2.549 2.540 -2.440) 4.347 7.054 ( 4.467 -3.131 -6.308) 8.340 7.297 ( -1.032 2.742 1.794) 3.435 7.331 ( -2.996 1.316 -1.340) 3.536 7.397 ( -1.739 -3.498 1.415) 4.155 7.414 ( -3.925 -3.420 0.046) 5.206 7.621 ( -3.210 0.350 -0.164) 3.233 7.647 ( -3.425 -2.094 -2.363) 4.658 7.822 ( -6.689 1.580 1.700) 7.080 7.848 ( -6.616 -0.932 -0.279) 6.688 8.114 ( 5.792 1.615 -0.814) 6.068 8.118 ( 5.648 1.144 -1.070) 5.861 8.432 ( -2.657 2.137 1.200) 3.614 8.437 ( -2.587 1.853 0.852) 3.294 8.938 ( 3.331 1.948 0.848) 3.950 8.953 ( 3.478 0.398 -0.369) 3.520 9.204 ( -5.091 1.626 0.588) 5.377 9.223 ( -4.872 -0.217 -0.935) 4.966 9.617 ( 0.708 -0.263 0.296) 0.811 9.625 ( 0.752 -0.966 -0.309) 1.263 9.682 ( -0.987 -1.664 0.303) 1.958 9.690 ( -0.996 -2.366 -0.360) 2.592 ======================= Grid point 136 (56/56) ======================= q-point: ( 0.43 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 137 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -0.299 2.612 0.950) 2.795 2.276 ( -0.562 0.989 -0.012) 1.137 2.306 ( -3.043 -1.554 1.190) 3.618 2.324 ( -3.423 -2.702 -0.095) 4.362 2.476 ( 0.825 3.089 -0.864) 3.311 2.484 ( 0.135 2.414 -1.125) 2.667 2.496 ( 0.416 0.918 -1.289) 1.636 2.504 ( -0.200 0.799 -1.860) 2.034 2.724 ( 3.376 0.584 0.591) 3.476 2.729 ( 2.792 0.841 0.402) 2.943 2.780 ( -2.361 0.111 1.698) 2.911 2.813 ( -4.202 -1.593 -0.809) 4.565 2.857 ( -0.591 2.614 0.753) 2.784 2.861 ( -0.886 2.591 0.421) 2.770 2.902 ( 0.880 -2.325 0.489) 2.534 2.928 ( -1.574 -4.376 -1.612) 4.922 3.673 ( 9.805 1.816 1.568) 10.094 3.711 ( 9.978 -1.937 -1.547) 10.281 3.853 ( -7.743 2.469 2.041) 8.380 3.888 ( -7.282 -0.952 -0.808) 7.388 4.408 ( 4.738 5.442 0.418) 7.227 4.427 ( 4.414 3.885 -1.170) 5.995 4.509 ( -4.409 4.962 0.933) 6.703 4.526 ( -4.633 3.553 -0.520) 5.861 5.685 ( 5.575 7.804 2.125) 9.824 5.743 ( 1.601 5.385 -2.809) 6.281 5.856 ( 0.064 -2.769 1.654) 3.226 5.893 ( -1.765 -3.628 -1.652) 4.359 6.065 ( 2.250 2.656 1.125) 3.659 6.088 ( 0.458 3.440 -0.907) 3.587 6.122 ( 2.828 -1.303 0.267) 3.125 6.135 ( 1.432 -0.041 -0.637) 1.568 6.421 ( -2.497 0.645 0.652) 2.660 6.430 ( -3.339 0.352 0.621) 3.415 6.446 ( -2.508 -1.357 0.282) 2.866 6.472 ( -4.464 -3.038 -0.873) 5.470 6.963 ( 10.692 1.776 4.199) 11.624 6.992 ( 10.666 -0.827 4.464) 11.592 7.082 ( 3.770 3.797 -2.347) 5.842 7.138 ( -1.967 -0.144 -3.324) 3.865 7.242 ( -2.058 1.644 0.626) 2.707 7.274 ( -2.268 -0.315 0.441) 2.332 7.298 ( -4.207 -3.683 0.582) 5.622 7.363 ( -3.574 -6.335 -2.708) 7.762 7.599 ( 1.635 0.404 -1.583) 2.311 7.609 ( 0.792 -0.158 -2.450) 2.580 7.692 ( -5.519 -0.358 0.388) 5.544 7.711 ( -6.422 -1.841 -1.253) 6.797 8.239 ( 6.290 2.118 0.684) 6.672 8.243 ( 6.543 1.755 0.416) 6.787 8.354 ( -5.039 2.514 1.641) 5.866 8.361 ( -5.010 1.894 1.091) 5.466 9.007 ( 3.625 2.857 0.477) 4.640 9.025 ( 3.438 1.332 -1.111) 3.851 9.106 ( -4.161 0.935 0.840) 4.347 9.127 ( -4.525 -0.722 -0.881) 4.666 9.633 ( 0.759 -0.439 0.108) 0.884 9.639 ( 0.419 -0.757 -0.439) 0.970 9.665 ( -0.535 -2.305 0.432) 2.405 9.671 ( -0.885 -2.600 -0.119) 2.749 =================== 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 3/16380 10.0 1238.184 1788.505 1081.520 0.000 0.000 0.000 3/16380 20.0 221.247 337.363 201.391 0.000 0.000 0.000 3/16380 30.0 82.669 134.308 71.876 0.000 0.000 -0.000 3/16380 40.0 45.558 78.260 38.006 0.000 0.000 -0.000 3/16380 50.0 29.688 52.641 24.037 0.000 0.000 -0.000 3/16380 60.0 21.193 38.208 16.812 0.000 0.000 -0.000 3/16380 70.0 16.107 29.289 12.596 0.000 0.000 -0.000 3/16380 80.0 12.834 23.433 9.932 0.000 0.000 -0.000 3/16380 90.0 10.604 19.393 8.141 0.000 0.000 -0.000 3/16380 100.0 9.011 16.485 6.875 0.000 0.000 -0.000 3/16380 110.0 7.829 14.314 5.943 0.000 0.000 -0.000 3/16380 120.0 6.922 12.643 5.232 0.000 0.000 -0.000 3/16380 130.0 6.206 11.322 4.674 0.000 0.000 -0.000 3/16380 140.0 5.627 10.255 4.226 0.000 0.000 -0.000 3/16380 150.0 5.151 9.375 3.859 0.000 0.000 -0.000 3/16380 160.0 4.751 8.638 3.552 0.000 0.000 -0.000 3/16380 170.0 4.411 8.012 3.292 0.000 0.000 -0.000 3/16380 180.0 4.119 7.473 3.068 0.000 0.000 -0.000 3/16380 190.0 3.864 7.004 2.875 0.000 0.000 -0.000 3/16380 200.0 3.640 6.593 2.705 0.000 0.000 -0.000 3/16380 210.0 3.442 6.229 2.555 0.000 0.000 -0.000 3/16380 220.0 3.265 5.905 2.421 0.000 0.000 -0.000 3/16380 230.0 3.106 5.614 2.301 0.000 0.000 -0.000 3/16380 240.0 2.963 5.351 2.193 0.000 0.000 -0.000 3/16380 250.0 2.832 5.113 2.095 0.000 0.000 -0.000 3/16380 260.0 2.713 4.895 2.005 0.000 0.000 -0.000 3/16380 270.0 2.604 4.696 1.924 0.000 0.000 -0.000 3/16380 280.0 2.503 4.513 1.848 0.000 0.000 -0.000 3/16380 290.0 2.410 4.344 1.779 0.000 0.000 -0.000 3/16380 300.0 2.324 4.188 1.715 0.000 0.000 -0.000 3/16380 310.0 2.245 4.043 1.655 0.000 0.000 -0.000 3/16380 320.0 2.170 3.907 1.600 0.000 0.000 -0.000 3/16380 330.0 2.101 3.781 1.548 0.000 0.000 -0.000 3/16380 340.0 2.036 3.663 1.500 0.000 0.000 -0.000 3/16380 350.0 1.974 3.552 1.454 0.000 0.000 -0.000 3/16380 360.0 1.917 3.448 1.411 0.000 0.000 -0.000 3/16380 370.0 1.863 3.350 1.371 0.000 0.000 -0.000 3/16380 380.0 1.812 3.258 1.333 0.000 0.000 -0.000 3/16380 390.0 1.763 3.170 1.297 0.000 0.000 -0.000 3/16380 400.0 1.718 3.087 1.263 0.000 0.000 -0.000 3/16380 410.0 1.674 3.009 1.231 0.000 0.000 -0.000 3/16380 420.0 1.633 2.934 1.201 0.000 0.000 -0.000 3/16380 430.0 1.594 2.863 1.172 0.000 0.000 -0.000 3/16380 440.0 1.556 2.796 1.144 0.000 0.000 -0.000 3/16380 450.0 1.521 2.732 1.118 0.000 0.000 -0.000 3/16380 460.0 1.487 2.670 1.093 0.000 0.000 -0.000 3/16380 470.0 1.454 2.612 1.069 0.000 0.000 -0.000 3/16380 480.0 1.423 2.556 1.046 0.000 0.000 -0.000 3/16380 490.0 1.393 2.502 1.024 0.000 0.000 -0.000 3/16380 500.0 1.365 2.450 1.003 0.000 0.000 -0.000 3/16380 510.0 1.338 2.401 0.982 0.000 0.000 -0.000 3/16380 520.0 1.311 2.354 0.963 0.000 0.000 -0.000 3/16380 530.0 1.286 2.308 0.944 0.000 0.000 -0.000 3/16380 540.0 1.262 2.264 0.926 0.000 0.000 -0.000 3/16380 550.0 1.238 2.222 0.909 0.000 0.000 -0.000 3/16380 560.0 1.216 2.182 0.893 0.000 0.000 -0.000 3/16380 570.0 1.194 2.143 0.877 0.000 0.000 -0.000 3/16380 580.0 1.173 2.105 0.861 0.000 0.000 -0.000 3/16380 590.0 1.153 2.069 0.846 0.000 0.000 -0.000 3/16380 600.0 1.133 2.034 0.832 0.000 0.000 -0.000 3/16380 610.0 1.115 2.000 0.818 0.000 0.000 -0.000 3/16380 620.0 1.096 1.967 0.805 0.000 0.000 -0.000 3/16380 630.0 1.079 1.935 0.792 0.000 0.000 -0.000 3/16380 640.0 1.062 1.904 0.779 0.000 0.000 -0.000 3/16380 650.0 1.045 1.874 0.767 0.000 0.000 -0.000 3/16380 660.0 1.029 1.846 0.755 0.000 0.000 -0.000 3/16380 670.0 1.013 1.818 0.744 0.000 0.000 -0.000 3/16380 680.0 0.998 1.791 0.732 0.000 0.000 -0.000 3/16380 690.0 0.984 1.764 0.722 0.000 0.000 -0.000 3/16380 700.0 0.969 1.739 0.711 0.000 0.000 -0.000 3/16380 710.0 0.956 1.714 0.701 0.000 0.000 -0.000 3/16380 720.0 0.942 1.690 0.691 0.000 0.000 -0.000 3/16380 730.0 0.929 1.666 0.682 0.000 0.000 -0.000 3/16380 740.0 0.917 1.644 0.672 0.000 0.000 -0.000 3/16380 750.0 0.904 1.621 0.663 0.000 0.000 -0.000 3/16380 760.0 0.892 1.600 0.654 0.000 0.000 -0.000 3/16380 770.0 0.881 1.579 0.646 0.000 0.000 -0.000 3/16380 780.0 0.869 1.558 0.637 0.000 0.000 -0.000 3/16380 790.0 0.858 1.538 0.629 0.000 0.000 -0.000 3/16380 800.0 0.847 1.519 0.621 0.000 0.000 -0.000 3/16380 810.0 0.837 1.500 0.614 0.000 0.000 -0.000 3/16380 820.0 0.826 1.482 0.606 0.000 0.000 -0.000 3/16380 830.0 0.816 1.464 0.599 0.000 0.000 -0.000 3/16380 840.0 0.807 1.446 0.591 0.000 0.000 -0.000 3/16380 850.0 0.797 1.429 0.584 0.000 0.000 -0.000 3/16380 860.0 0.788 1.412 0.578 0.000 0.000 -0.000 3/16380 870.0 0.779 1.396 0.571 0.000 0.000 -0.000 3/16380 880.0 0.770 1.380 0.564 0.000 0.000 -0.000 3/16380 890.0 0.761 1.364 0.558 0.000 0.000 -0.000 3/16380 900.0 0.752 1.349 0.552 0.000 0.000 -0.000 3/16380 910.0 0.744 1.334 0.546 0.000 0.000 -0.000 3/16380 920.0 0.736 1.319 0.540 0.000 0.000 -0.000 3/16380 930.0 0.728 1.305 0.534 0.000 0.000 -0.000 3/16380 940.0 0.720 1.291 0.528 0.000 0.000 -0.000 3/16380 950.0 0.713 1.277 0.522 0.000 0.000 -0.000 3/16380 960.0 0.705 1.264 0.517 0.000 0.000 -0.000 3/16380 970.0 0.698 1.251 0.512 0.000 0.000 -0.000 3/16380 980.0 0.691 1.238 0.506 0.000 0.000 -0.000 3/16380 990.0 0.684 1.225 0.501 0.000 0.000 -0.000 3/16380 1000.0 0.677 1.213 0.496 0.000 0.000 -0.000 3/16380 Thermal conductivity related properties were written into "kappa-m7133.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:04:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|