----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:35:33]------------------------- Compiled with OpenMP support (max 32 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.143108350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.665170670000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.962478230000000 Atomic positions (fractional): *1 O 0.27880201418794 0.25000000000000 0.98265648043327 15.999 2 O 0.72119798581206 0.75000000000000 0.01734351956673 15.999 3 O 0.77880201418794 0.25000000000000 0.51734351956673 15.999 4 O 0.22119798581206 0.75000000000000 0.48265648043327 15.999 *5 O 0.85538251618600 0.25000000000000 0.25114494547452 15.999 6 O 0.64461748381400 0.75000000000000 0.75114494547452 15.999 7 O 0.35538251618600 0.25000000000000 0.24885505452548 15.999 8 O 0.14461748381400 0.75000000000000 0.74885505452548 15.999 *9 Cd 0.90618816074720 0.75000000000000 0.60659714873269 112.411 10 Cd 0.40618816074720 0.75000000000000 0.89340285126731 112.411 11 Cd 0.09381183925280 0.25000000000000 0.39340285126731 112.411 12 Cd 0.59381183925280 0.25000000000000 0.10659714873269 112.411 *13 Ba 0.39622155728625 0.25000000000000 0.64257358916423 137.327 14 Ba 0.60377844271375 0.75000000000000 0.35742641083577 137.327 15 Ba 0.89622155728625 0.25000000000000 0.85742641083577 137.327 16 Ba 0.10377844271375 0.75000000000000 0.14257358916423 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.143108350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.665170670000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.962478230000000 Atomic positions (fractional): *1 O 0.27880201418794 0.25000000000000 0.98265648043327 15.999 > 1 2 O 0.72119798581206 0.75000000000000 0.01734351956673 15.999 > 2 3 O 0.77880201418794 0.25000000000000 0.51734351956673 15.999 > 3 4 O 0.22119798581206 0.75000000000000 0.48265648043327 15.999 > 4 *5 O 0.85538251618600 0.25000000000000 0.25114494547452 15.999 > 5 6 O 0.64461748381400 0.75000000000000 0.75114494547452 15.999 > 6 7 O 0.35538251618600 0.25000000000000 0.24885505452548 15.999 > 7 8 O 0.14461748381400 0.75000000000000 0.74885505452548 15.999 > 8 *9 Cd 0.90618816074720 0.75000000000000 0.60659714873269 112.411 > 9 10 Cd 0.40618816074720 0.75000000000000 0.89340285126731 112.411 > 10 11 Cd 0.09381183925280 0.25000000000000 0.39340285126731 112.411 > 11 12 Cd 0.59381183925280 0.25000000000000 0.10659714873269 112.411 > 12 *13 Ba 0.39622155728625 0.25000000000000 0.64257358916423 137.327 > 13 14 Ba 0.60377844271375 0.75000000000000 0.35742641083577 137.327 > 14 15 Ba 0.89622155728625 0.25000000000000 0.85742641083577 137.327 > 15 16 Ba 0.10377844271375 0.75000000000000 0.14257358916423 137.327 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.286216700000004 0.000000000000000 0.000000000000000 b 0.000000000000000 14.660682680000004 0.000000000000000 c 0.000000000000000 0.000000000000000 11.962478230000000 Atomic positions (fractional): *1 O 0.13940100709397 0.06250000000000 0.98265648043327 15.999 > 1 2 O 0.63940100709397 0.06250000000000 0.98265648043327 15.999 > 1 3 O 0.13940100709397 0.31250000000000 0.98265648043327 15.999 > 1 4 O 0.63940100709397 0.31250000000000 0.98265648043327 15.999 > 1 5 O 0.13940100709397 0.56250000000000 0.98265648043327 15.999 > 1 6 O 0.63940100709397 0.56250000000000 0.98265648043327 15.999 > 1 7 O 0.13940100709397 0.81250000000000 0.98265648043327 15.999 > 1 8 O 0.63940100709397 0.81250000000000 0.98265648043327 15.999 > 1 9 O 0.36059899290603 0.18750000000000 0.01734351956673 15.999 > 2 10 O 0.86059899290603 0.18750000000000 0.01734351956673 15.999 > 2 11 O 0.36059899290603 0.43750000000000 0.01734351956673 15.999 > 2 12 O 0.86059899290603 0.43750000000000 0.01734351956673 15.999 > 2 13 O 0.36059899290603 0.68750000000000 0.01734351956673 15.999 > 2 14 O 0.86059899290603 0.68750000000000 0.01734351956673 15.999 > 2 15 O 0.36059899290603 0.93750000000000 0.01734351956673 15.999 > 2 16 O 0.86059899290603 0.93750000000000 0.01734351956673 15.999 > 2 17 O 0.38940100709397 0.06250000000000 0.51734351956673 15.999 > 3 18 O 0.88940100709397 0.06250000000000 0.51734351956673 15.999 > 3 19 O 0.38940100709397 0.31250000000000 0.51734351956673 15.999 > 3 20 O 0.88940100709397 0.31250000000000 0.51734351956673 15.999 > 3 21 O 0.38940100709397 0.56250000000000 0.51734351956673 15.999 > 3 22 O 0.88940100709397 0.56250000000000 0.51734351956673 15.999 > 3 23 O 0.38940100709397 0.81250000000000 0.51734351956673 15.999 > 3 24 O 0.88940100709397 0.81250000000000 0.51734351956673 15.999 > 3 25 O 0.11059899290603 0.18750000000000 0.48265648043327 15.999 > 4 26 O 0.61059899290603 0.18750000000000 0.48265648043327 15.999 > 4 27 O 0.11059899290603 0.43750000000000 0.48265648043327 15.999 > 4 28 O 0.61059899290603 0.43750000000000 0.48265648043327 15.999 > 4 29 O 0.11059899290603 0.68750000000000 0.48265648043327 15.999 > 4 30 O 0.61059899290603 0.68750000000000 0.48265648043327 15.999 > 4 31 O 0.11059899290603 0.93750000000000 0.48265648043327 15.999 > 4 32 O 0.61059899290603 0.93750000000000 0.48265648043327 15.999 > 4 *33 O 0.42769125809300 0.06250000000000 0.25114494547452 15.999 > 5 34 O 0.92769125809300 0.06250000000000 0.25114494547452 15.999 > 5 35 O 0.42769125809300 0.31250000000000 0.25114494547452 15.999 > 5 36 O 0.92769125809300 0.31250000000000 0.25114494547452 15.999 > 5 37 O 0.42769125809300 0.56250000000000 0.25114494547452 15.999 > 5 38 O 0.92769125809300 0.56250000000000 0.25114494547452 15.999 > 5 39 O 0.42769125809300 0.81250000000000 0.25114494547452 15.999 > 5 40 O 0.92769125809300 0.81250000000000 0.25114494547452 15.999 > 5 41 O 0.32230874190700 0.18750000000000 0.75114494547452 15.999 > 6 42 O 0.82230874190700 0.18750000000000 0.75114494547452 15.999 > 6 43 O 0.32230874190700 0.43750000000000 0.75114494547452 15.999 > 6 44 O 0.82230874190700 0.43750000000000 0.75114494547452 15.999 > 6 45 O 0.32230874190700 0.68750000000000 0.75114494547452 15.999 > 6 46 O 0.82230874190700 0.68750000000000 0.75114494547452 15.999 > 6 47 O 0.32230874190700 0.93750000000000 0.75114494547452 15.999 > 6 48 O 0.82230874190700 0.93750000000000 0.75114494547452 15.999 > 6 49 O 0.17769125809300 0.06250000000000 0.24885505452548 15.999 > 7 50 O 0.67769125809300 0.06250000000000 0.24885505452548 15.999 > 7 51 O 0.17769125809300 0.31250000000000 0.24885505452548 15.999 > 7 52 O 0.67769125809300 0.31250000000000 0.24885505452548 15.999 > 7 53 O 0.17769125809300 0.56250000000000 0.24885505452548 15.999 > 7 54 O 0.67769125809300 0.56250000000000 0.24885505452548 15.999 > 7 55 O 0.17769125809300 0.81250000000000 0.24885505452548 15.999 > 7 56 O 0.67769125809300 0.81250000000000 0.24885505452548 15.999 > 7 57 O 0.07230874190700 0.18750000000000 0.74885505452548 15.999 > 8 58 O 0.57230874190700 0.18750000000000 0.74885505452548 15.999 > 8 59 O 0.07230874190700 0.43750000000000 0.74885505452548 15.999 > 8 60 O 0.57230874190700 0.43750000000000 0.74885505452548 15.999 > 8 61 O 0.07230874190700 0.68750000000000 0.74885505452548 15.999 > 8 62 O 0.57230874190700 0.68750000000000 0.74885505452548 15.999 > 8 63 O 0.07230874190700 0.93750000000000 0.74885505452548 15.999 > 8 64 O 0.57230874190700 0.93750000000000 0.74885505452548 15.999 > 8 *65 Cd 0.45309408037360 0.18750000000000 0.60659714873269 112.411 > 9 66 Cd 0.95309408037360 0.18750000000000 0.60659714873269 112.411 > 9 67 Cd 0.45309408037360 0.43750000000000 0.60659714873269 112.411 > 9 68 Cd 0.95309408037360 0.43750000000000 0.60659714873269 112.411 > 9 69 Cd 0.45309408037360 0.68750000000000 0.60659714873269 112.411 > 9 70 Cd 0.95309408037360 0.68750000000000 0.60659714873269 112.411 > 9 71 Cd 0.45309408037360 0.93750000000000 0.60659714873269 112.411 > 9 72 Cd 0.95309408037360 0.93750000000000 0.60659714873269 112.411 > 9 73 Cd 0.20309408037360 0.18750000000000 0.89340285126731 112.411 > 10 74 Cd 0.70309408037360 0.18750000000000 0.89340285126731 112.411 > 10 75 Cd 0.20309408037360 0.43750000000000 0.89340285126731 112.411 > 10 76 Cd 0.70309408037360 0.43750000000000 0.89340285126731 112.411 > 10 77 Cd 0.20309408037360 0.68750000000000 0.89340285126731 112.411 > 10 78 Cd 0.70309408037360 0.68750000000000 0.89340285126731 112.411 > 10 79 Cd 0.20309408037360 0.93750000000000 0.89340285126731 112.411 > 10 80 Cd 0.70309408037360 0.93750000000000 0.89340285126731 112.411 > 10 81 Cd 0.04690591962640 0.06250000000000 0.39340285126731 112.411 > 11 82 Cd 0.54690591962640 0.06250000000000 0.39340285126731 112.411 > 11 83 Cd 0.04690591962640 0.31250000000000 0.39340285126731 112.411 > 11 84 Cd 0.54690591962640 0.31250000000000 0.39340285126731 112.411 > 11 85 Cd 0.04690591962640 0.56250000000000 0.39340285126731 112.411 > 11 86 Cd 0.54690591962640 0.56250000000000 0.39340285126731 112.411 > 11 87 Cd 0.04690591962640 0.81250000000000 0.39340285126731 112.411 > 11 88 Cd 0.54690591962640 0.81250000000000 0.39340285126731 112.411 > 11 89 Cd 0.29690591962640 0.06250000000000 0.10659714873269 112.411 > 12 90 Cd 0.79690591962640 0.06250000000000 0.10659714873269 112.411 > 12 91 Cd 0.29690591962640 0.31250000000000 0.10659714873269 112.411 > 12 92 Cd 0.79690591962640 0.31250000000000 0.10659714873269 112.411 > 12 93 Cd 0.29690591962640 0.56250000000000 0.10659714873269 112.411 > 12 94 Cd 0.79690591962640 0.56250000000000 0.10659714873269 112.411 > 12 95 Cd 0.29690591962640 0.81250000000000 0.10659714873269 112.411 > 12 96 Cd 0.79690591962640 0.81250000000000 0.10659714873269 112.411 > 12 *97 Ba 0.19811077864313 0.06250000000000 0.64257358916423 137.327 > 13 98 Ba 0.69811077864313 0.06250000000000 0.64257358916423 137.327 > 13 99 Ba 0.19811077864313 0.31250000000000 0.64257358916423 137.327 > 13 100 Ba 0.69811077864313 0.31250000000000 0.64257358916423 137.327 > 13 101 Ba 0.19811077864313 0.56250000000000 0.64257358916423 137.327 > 13 102 Ba 0.69811077864313 0.56250000000000 0.64257358916423 137.327 > 13 103 Ba 0.19811077864313 0.81250000000000 0.64257358916423 137.327 > 13 104 Ba 0.69811077864313 0.81250000000000 0.64257358916423 137.327 > 13 105 Ba 0.30188922135687 0.18750000000000 0.35742641083577 137.327 > 14 106 Ba 0.80188922135687 0.18750000000000 0.35742641083577 137.327 > 14 107 Ba 0.30188922135687 0.43750000000000 0.35742641083577 137.327 > 14 108 Ba 0.80188922135687 0.43750000000000 0.35742641083577 137.327 > 14 109 Ba 0.30188922135687 0.68750000000000 0.35742641083577 137.327 > 14 110 Ba 0.80188922135687 0.68750000000000 0.35742641083577 137.327 > 14 111 Ba 0.30188922135687 0.93750000000000 0.35742641083577 137.327 > 14 112 Ba 0.80188922135687 0.93750000000000 0.35742641083577 137.327 > 14 113 Ba 0.44811077864313 0.06250000000000 0.85742641083577 137.327 > 15 114 Ba 0.94811077864313 0.06250000000000 0.85742641083577 137.327 > 15 115 Ba 0.44811077864313 0.31250000000000 0.85742641083577 137.327 > 15 116 Ba 0.94811077864313 0.31250000000000 0.85742641083577 137.327 > 15 117 Ba 0.44811077864313 0.56250000000000 0.85742641083577 137.327 > 15 118 Ba 0.94811077864313 0.56250000000000 0.85742641083577 137.327 > 15 119 Ba 0.44811077864313 0.81250000000000 0.85742641083577 137.327 > 15 120 Ba 0.94811077864313 0.81250000000000 0.85742641083577 137.327 > 15 121 Ba 0.05188922135687 0.18750000000000 0.14257358916423 137.327 > 16 122 Ba 0.55188922135687 0.18750000000000 0.14257358916423 137.327 > 16 123 Ba 0.05188922135687 0.43750000000000 0.14257358916423 137.327 > 16 124 Ba 0.55188922135687 0.43750000000000 0.14257358916423 137.327 > 16 125 Ba 0.05188922135687 0.68750000000000 0.14257358916423 137.327 > 16 126 Ba 0.55188922135687 0.68750000000000 0.14257358916423 137.327 > 16 127 Ba 0.05188922135687 0.93750000000000 0.14257358916423 137.327 > 16 128 Ba 0.55188922135687 0.93750000000000 0.14257358916423 137.327 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7507532 0.0000000 0.0000000 0.0000000 5.5852193 0.0000000 0.0000000 0.0000000 5.4301791 -------------------------- Born effective charges -------------------------- 1 O -2.2287805 0.0000000 -0.0142834 0.0000000 -2.7128225 0.0000000 -0.1353516 0.0000000 -2.4614461 2 O -2.2287805 0.0000000 -0.0142834 0.0000000 -2.7128225 0.0000000 -0.1353516 0.0000000 -2.4614461 3 O -2.2287805 0.0000000 0.0142834 0.0000000 -2.7128225 0.0000000 0.1353516 0.0000000 -2.4614461 4 O -2.2287805 0.0000000 0.0142834 0.0000000 -2.7128225 0.0000000 0.1353516 0.0000000 -2.4614461 5 O -2.7693763 0.0000000 -0.3042694 0.0000000 -2.3150717 0.0000000 -0.0249624 0.0000000 -2.4479490 6 O -2.7693763 0.0000000 0.3042694 0.0000000 -2.3150717 0.0000000 0.0249624 0.0000000 -2.4479490 7 O -2.7693763 0.0000000 0.3042694 0.0000000 -2.3150717 0.0000000 0.0249624 0.0000000 -2.4479490 8 O -2.7693763 0.0000000 -0.3042694 0.0000000 -2.3150717 0.0000000 -0.0249624 0.0000000 -2.4479490 9 Cd 2.2680286 0.0000000 -0.1377917 0.0000000 2.1390259 0.0000000 -0.2516748 0.0000000 2.4666360 10 Cd 2.2680286 0.0000000 0.1377917 0.0000000 2.1390259 0.0000000 0.2516748 0.0000000 2.4666360 11 Cd 2.2680286 0.0000000 -0.1377917 0.0000000 2.1390259 0.0000000 -0.2516748 0.0000000 2.4666360 12 Cd 2.2680286 0.0000000 0.1377917 0.0000000 2.1390259 0.0000000 0.2516748 0.0000000 2.4666360 13 Ba 2.7301282 0.0000000 0.0331783 0.0000000 2.8888683 0.0000000 0.1691129 0.0000000 2.4427591 14 Ba 2.7301282 0.0000000 0.0331783 0.0000000 2.8888683 0.0000000 0.1691129 0.0000000 2.4427591 15 Ba 2.7301282 0.0000000 -0.0331783 0.0000000 2.8888683 0.0000000 -0.1691129 0.0000000 2.4427591 16 Ba 2.7301282 0.0000000 -0.0331783 0.0000000 2.8888683 0.0000000 -0.1691129 0.0000000 2.4427591 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 240 - Time: 0.347 Solver_block: 200 / 240 - Time: 0.340 Solver_block: 240 / 240 - Time: 0.164 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.872 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1268 Number of blocks in projector: 1268 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 188 Use standard eigh solver. Tree of FC basis block matrices: - (1268, 1248), data: False |-- (188, 184), data: True |-- (188, 184), data: True |-- (188, 184), data: True |-- (192, 192), data: True |-- (192, 192), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:35:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:35:48]------------------------- Compiled with OpenMP support (max 32 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.143108350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.665170670000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.962478230000000 Atomic positions (fractional): 1 O 0.27880201418794 0.25000000000000 0.98265648043327 15.999 2 O 0.72119798581206 0.75000000000000 0.01734351956673 15.999 3 O 0.77880201418794 0.25000000000000 0.51734351956673 15.999 4 O 0.22119798581206 0.75000000000000 0.48265648043327 15.999 5 O 0.85538251618600 0.25000000000000 0.25114494547452 15.999 6 O 0.64461748381400 0.75000000000000 0.75114494547452 15.999 7 O 0.35538251618600 0.25000000000000 0.24885505452548 15.999 8 O 0.14461748381400 0.75000000000000 0.74885505452548 15.999 9 Cd 0.90618816074720 0.75000000000000 0.60659714873269 112.411 10 Cd 0.40618816074720 0.75000000000000 0.89340285126731 112.411 11 Cd 0.09381183925280 0.25000000000000 0.39340285126731 112.411 12 Cd 0.59381183925280 0.25000000000000 0.10659714873269 112.411 13 Ba 0.39622155728625 0.25000000000000 0.64257358916423 137.327 14 Ba 0.60377844271375 0.75000000000000 0.35742641083577 137.327 15 Ba 0.89622155728625 0.25000000000000 0.85742641083577 137.327 16 Ba 0.10377844271375 0.75000000000000 0.14257358916423 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.286216700000004 0.000000000000000 0.000000000000000 b 0.000000000000000 14.660682680000004 0.000000000000000 c 0.000000000000000 0.000000000000000 11.962478230000000 Atomic positions (fractional): 1 O 0.13940100709397 0.06250000000000 0.98265648043327 15.999 > 1 2 O 0.63940100709397 0.06250000000000 0.98265648043327 15.999 > 1 3 O 0.13940100709397 0.31250000000000 0.98265648043327 15.999 > 1 4 O 0.63940100709397 0.31250000000000 0.98265648043327 15.999 > 1 5 O 0.13940100709397 0.56250000000000 0.98265648043327 15.999 > 1 6 O 0.63940100709397 0.56250000000000 0.98265648043327 15.999 > 1 7 O 0.13940100709397 0.81250000000000 0.98265648043327 15.999 > 1 8 O 0.63940100709397 0.81250000000000 0.98265648043327 15.999 > 1 9 O 0.36059899290603 0.18750000000000 0.01734351956673 15.999 > 9 10 O 0.86059899290603 0.18750000000000 0.01734351956673 15.999 > 9 11 O 0.36059899290603 0.43750000000000 0.01734351956673 15.999 > 9 12 O 0.86059899290603 0.43750000000000 0.01734351956673 15.999 > 9 13 O 0.36059899290603 0.68750000000000 0.01734351956673 15.999 > 9 14 O 0.86059899290603 0.68750000000000 0.01734351956673 15.999 > 9 15 O 0.36059899290603 0.93750000000000 0.01734351956673 15.999 > 9 16 O 0.86059899290603 0.93750000000000 0.01734351956673 15.999 > 9 17 O 0.38940100709397 0.06250000000000 0.51734351956673 15.999 > 17 18 O 0.88940100709397 0.06250000000000 0.51734351956673 15.999 > 17 19 O 0.38940100709397 0.31250000000000 0.51734351956673 15.999 > 17 20 O 0.88940100709397 0.31250000000000 0.51734351956673 15.999 > 17 21 O 0.38940100709397 0.56250000000000 0.51734351956673 15.999 > 17 22 O 0.88940100709397 0.56250000000000 0.51734351956673 15.999 > 17 23 O 0.38940100709397 0.81250000000000 0.51734351956673 15.999 > 17 24 O 0.88940100709397 0.81250000000000 0.51734351956673 15.999 > 17 25 O 0.11059899290603 0.18750000000000 0.48265648043327 15.999 > 25 26 O 0.61059899290603 0.18750000000000 0.48265648043327 15.999 > 25 27 O 0.11059899290603 0.43750000000000 0.48265648043327 15.999 > 25 28 O 0.61059899290603 0.43750000000000 0.48265648043327 15.999 > 25 29 O 0.11059899290603 0.68750000000000 0.48265648043327 15.999 > 25 30 O 0.61059899290603 0.68750000000000 0.48265648043327 15.999 > 25 31 O 0.11059899290603 0.93750000000000 0.48265648043327 15.999 > 25 32 O 0.61059899290603 0.93750000000000 0.48265648043327 15.999 > 25 33 O 0.42769125809300 0.06250000000000 0.25114494547452 15.999 > 33 34 O 0.92769125809300 0.06250000000000 0.25114494547452 15.999 > 33 35 O 0.42769125809300 0.31250000000000 0.25114494547452 15.999 > 33 36 O 0.92769125809300 0.31250000000000 0.25114494547452 15.999 > 33 37 O 0.42769125809300 0.56250000000000 0.25114494547452 15.999 > 33 38 O 0.92769125809300 0.56250000000000 0.25114494547452 15.999 > 33 39 O 0.42769125809300 0.81250000000000 0.25114494547452 15.999 > 33 40 O 0.92769125809300 0.81250000000000 0.25114494547452 15.999 > 33 41 O 0.32230874190700 0.18750000000000 0.75114494547452 15.999 > 41 42 O 0.82230874190700 0.18750000000000 0.75114494547452 15.999 > 41 43 O 0.32230874190700 0.43750000000000 0.75114494547452 15.999 > 41 44 O 0.82230874190700 0.43750000000000 0.75114494547452 15.999 > 41 45 O 0.32230874190700 0.68750000000000 0.75114494547452 15.999 > 41 46 O 0.82230874190700 0.68750000000000 0.75114494547452 15.999 > 41 47 O 0.32230874190700 0.93750000000000 0.75114494547452 15.999 > 41 48 O 0.82230874190700 0.93750000000000 0.75114494547452 15.999 > 41 49 O 0.17769125809300 0.06250000000000 0.24885505452548 15.999 > 49 50 O 0.67769125809300 0.06250000000000 0.24885505452548 15.999 > 49 51 O 0.17769125809300 0.31250000000000 0.24885505452548 15.999 > 49 52 O 0.67769125809300 0.31250000000000 0.24885505452548 15.999 > 49 53 O 0.17769125809300 0.56250000000000 0.24885505452548 15.999 > 49 54 O 0.67769125809300 0.56250000000000 0.24885505452548 15.999 > 49 55 O 0.17769125809300 0.81250000000000 0.24885505452548 15.999 > 49 56 O 0.67769125809300 0.81250000000000 0.24885505452548 15.999 > 49 57 O 0.07230874190700 0.18750000000000 0.74885505452548 15.999 > 57 58 O 0.57230874190700 0.18750000000000 0.74885505452548 15.999 > 57 59 O 0.07230874190700 0.43750000000000 0.74885505452548 15.999 > 57 60 O 0.57230874190700 0.43750000000000 0.74885505452548 15.999 > 57 61 O 0.07230874190700 0.68750000000000 0.74885505452548 15.999 > 57 62 O 0.57230874190700 0.68750000000000 0.74885505452548 15.999 > 57 63 O 0.07230874190700 0.93750000000000 0.74885505452548 15.999 > 57 64 O 0.57230874190700 0.93750000000000 0.74885505452548 15.999 > 57 65 Cd 0.45309408037360 0.18750000000000 0.60659714873269 112.411 > 65 66 Cd 0.95309408037360 0.18750000000000 0.60659714873269 112.411 > 65 67 Cd 0.45309408037360 0.43750000000000 0.60659714873269 112.411 > 65 68 Cd 0.95309408037360 0.43750000000000 0.60659714873269 112.411 > 65 69 Cd 0.45309408037360 0.68750000000000 0.60659714873269 112.411 > 65 70 Cd 0.95309408037360 0.68750000000000 0.60659714873269 112.411 > 65 71 Cd 0.45309408037360 0.93750000000000 0.60659714873269 112.411 > 65 72 Cd 0.95309408037360 0.93750000000000 0.60659714873269 112.411 > 65 73 Cd 0.20309408037360 0.18750000000000 0.89340285126731 112.411 > 73 74 Cd 0.70309408037360 0.18750000000000 0.89340285126731 112.411 > 73 75 Cd 0.20309408037360 0.43750000000000 0.89340285126731 112.411 > 73 76 Cd 0.70309408037360 0.43750000000000 0.89340285126731 112.411 > 73 77 Cd 0.20309408037360 0.68750000000000 0.89340285126731 112.411 > 73 78 Cd 0.70309408037360 0.68750000000000 0.89340285126731 112.411 > 73 79 Cd 0.20309408037360 0.93750000000000 0.89340285126731 112.411 > 73 80 Cd 0.70309408037360 0.93750000000000 0.89340285126731 112.411 > 73 81 Cd 0.04690591962640 0.06250000000000 0.39340285126731 112.411 > 81 82 Cd 0.54690591962640 0.06250000000000 0.39340285126731 112.411 > 81 83 Cd 0.04690591962640 0.31250000000000 0.39340285126731 112.411 > 81 84 Cd 0.54690591962640 0.31250000000000 0.39340285126731 112.411 > 81 85 Cd 0.04690591962640 0.56250000000000 0.39340285126731 112.411 > 81 86 Cd 0.54690591962640 0.56250000000000 0.39340285126731 112.411 > 81 87 Cd 0.04690591962640 0.81250000000000 0.39340285126731 112.411 > 81 88 Cd 0.54690591962640 0.81250000000000 0.39340285126731 112.411 > 81 89 Cd 0.29690591962640 0.06250000000000 0.10659714873269 112.411 > 89 90 Cd 0.79690591962640 0.06250000000000 0.10659714873269 112.411 > 89 91 Cd 0.29690591962640 0.31250000000000 0.10659714873269 112.411 > 89 92 Cd 0.79690591962640 0.31250000000000 0.10659714873269 112.411 > 89 93 Cd 0.29690591962640 0.56250000000000 0.10659714873269 112.411 > 89 94 Cd 0.79690591962640 0.56250000000000 0.10659714873269 112.411 > 89 95 Cd 0.29690591962640 0.81250000000000 0.10659714873269 112.411 > 89 96 Cd 0.79690591962640 0.81250000000000 0.10659714873269 112.411 > 89 97 Ba 0.19811077864313 0.06250000000000 0.64257358916423 137.327 > 97 98 Ba 0.69811077864313 0.06250000000000 0.64257358916423 137.327 > 97 99 Ba 0.19811077864313 0.31250000000000 0.64257358916423 137.327 > 97 100 Ba 0.69811077864313 0.31250000000000 0.64257358916423 137.327 > 97 101 Ba 0.19811077864313 0.56250000000000 0.64257358916423 137.327 > 97 102 Ba 0.69811077864313 0.56250000000000 0.64257358916423 137.327 > 97 103 Ba 0.19811077864313 0.81250000000000 0.64257358916423 137.327 > 97 104 Ba 0.69811077864313 0.81250000000000 0.64257358916423 137.327 > 97 105 Ba 0.30188922135687 0.18750000000000 0.35742641083577 137.327 > 105 106 Ba 0.80188922135687 0.18750000000000 0.35742641083577 137.327 > 105 107 Ba 0.30188922135687 0.43750000000000 0.35742641083577 137.327 > 105 108 Ba 0.80188922135687 0.43750000000000 0.35742641083577 137.327 > 105 109 Ba 0.30188922135687 0.68750000000000 0.35742641083577 137.327 > 105 110 Ba 0.80188922135687 0.68750000000000 0.35742641083577 137.327 > 105 111 Ba 0.30188922135687 0.93750000000000 0.35742641083577 137.327 > 105 112 Ba 0.80188922135687 0.93750000000000 0.35742641083577 137.327 > 105 113 Ba 0.44811077864313 0.06250000000000 0.85742641083577 137.327 > 113 114 Ba 0.94811077864313 0.06250000000000 0.85742641083577 137.327 > 113 115 Ba 0.44811077864313 0.31250000000000 0.85742641083577 137.327 > 113 116 Ba 0.94811077864313 0.31250000000000 0.85742641083577 137.327 > 113 117 Ba 0.44811077864313 0.56250000000000 0.85742641083577 137.327 > 113 118 Ba 0.94811077864313 0.56250000000000 0.85742641083577 137.327 > 113 119 Ba 0.44811077864313 0.81250000000000 0.85742641083577 137.327 > 113 120 Ba 0.94811077864313 0.81250000000000 0.85742641083577 137.327 > 113 121 Ba 0.05188922135687 0.18750000000000 0.14257358916423 137.327 > 121 122 Ba 0.55188922135687 0.18750000000000 0.14257358916423 137.327 > 121 123 Ba 0.05188922135687 0.43750000000000 0.14257358916423 137.327 > 121 124 Ba 0.55188922135687 0.43750000000000 0.14257358916423 137.327 > 121 125 Ba 0.05188922135687 0.68750000000000 0.14257358916423 137.327 > 121 126 Ba 0.55188922135687 0.68750000000000 0.14257358916423 137.327 > 121 127 Ba 0.05188922135687 0.93750000000000 0.14257358916423 137.327 > 121 128 Ba 0.55188922135687 0.93750000000000 0.14257358916423 137.327 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7507532 0.0000000 0.0000000 0.0000000 5.5852193 0.0000000 0.0000000 0.0000000 5.4301791 -------------------------- Born effective charges -------------------------- 1 O -2.2287805 0.0000000 -0.0142834 0.0000000 -2.7128225 0.0000000 -0.1353516 0.0000000 -2.4614461 2 O -2.2287805 0.0000000 -0.0142834 0.0000000 -2.7128225 0.0000000 -0.1353516 0.0000000 -2.4614461 3 O -2.2287805 0.0000000 0.0142834 0.0000000 -2.7128225 0.0000000 0.1353516 0.0000000 -2.4614461 4 O -2.2287805 0.0000000 0.0142834 0.0000000 -2.7128225 0.0000000 0.1353516 0.0000000 -2.4614461 5 O -2.7693763 0.0000000 -0.3042694 0.0000000 -2.3150717 0.0000000 -0.0249624 0.0000000 -2.4479490 6 O -2.7693763 0.0000000 0.3042694 0.0000000 -2.3150717 0.0000000 0.0249624 0.0000000 -2.4479490 7 O -2.7693763 0.0000000 0.3042694 0.0000000 -2.3150717 0.0000000 0.0249624 0.0000000 -2.4479490 8 O -2.7693763 0.0000000 -0.3042694 0.0000000 -2.3150717 0.0000000 -0.0249624 0.0000000 -2.4479490 9 Cd 2.2680286 0.0000000 -0.1377917 0.0000000 2.1390259 0.0000000 -0.2516748 0.0000000 2.4666360 10 Cd 2.2680286 0.0000000 0.1377917 0.0000000 2.1390259 0.0000000 0.2516748 0.0000000 2.4666360 11 Cd 2.2680286 0.0000000 -0.1377917 0.0000000 2.1390259 0.0000000 -0.2516748 0.0000000 2.4666360 12 Cd 2.2680286 0.0000000 0.1377917 0.0000000 2.1390259 0.0000000 0.2516748 0.0000000 2.4666360 13 Ba 2.7301282 0.0000000 0.0331783 0.0000000 2.8888683 0.0000000 0.1691129 0.0000000 2.4427591 14 Ba 2.7301282 0.0000000 0.0331783 0.0000000 2.8888683 0.0000000 0.1691129 0.0000000 2.4427591 15 Ba 2.7301282 0.0000000 -0.0331783 0.0000000 2.8888683 0.0000000 -0.1691129 0.0000000 2.4427591 16 Ba 2.7301282 0.0000000 -0.0331783 0.0000000 2.8888683 0.0000000 -0.1691129 0.0000000 2.4427591 ---------------------------------------------------------------------------- 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[ 33, 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[ 65, 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: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:36:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:36:07]------------------------- Compiled with OpenMP support (max 32 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 4 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.143108350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.665170670000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.962478230000000 Atomic positions (fractional): 1 O 0.27880201418794 0.25000000000000 0.98265648043327 15.999 2 O 0.72119798581206 0.75000000000000 0.01734351956673 15.999 3 O 0.77880201418794 0.25000000000000 0.51734351956673 15.999 4 O 0.22119798581206 0.75000000000000 0.48265648043327 15.999 5 O 0.85538251618600 0.25000000000000 0.25114494547452 15.999 6 O 0.64461748381400 0.75000000000000 0.75114494547452 15.999 7 O 0.35538251618600 0.25000000000000 0.24885505452548 15.999 8 O 0.14461748381400 0.75000000000000 0.74885505452548 15.999 9 Cd 0.90618816074720 0.75000000000000 0.60659714873269 112.411 10 Cd 0.40618816074720 0.75000000000000 0.89340285126731 112.411 11 Cd 0.09381183925280 0.25000000000000 0.39340285126731 112.411 12 Cd 0.59381183925280 0.25000000000000 0.10659714873269 112.411 13 Ba 0.39622155728625 0.25000000000000 0.64257358916423 137.327 14 Ba 0.60377844271375 0.75000000000000 0.35742641083577 137.327 15 Ba 0.89622155728625 0.25000000000000 0.85742641083577 137.327 16 Ba 0.10377844271375 0.75000000000000 0.14257358916423 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.286216700000004 0.000000000000000 0.000000000000000 b 0.000000000000000 14.660682680000004 0.000000000000000 c 0.000000000000000 0.000000000000000 11.962478230000000 Atomic positions (fractional): 1 O 0.13940100709397 0.06250000000000 0.98265648043327 15.999 > 1 2 O 0.63940100709397 0.06250000000000 0.98265648043327 15.999 > 1 3 O 0.13940100709397 0.31250000000000 0.98265648043327 15.999 > 1 4 O 0.63940100709397 0.31250000000000 0.98265648043327 15.999 > 1 5 O 0.13940100709397 0.56250000000000 0.98265648043327 15.999 > 1 6 O 0.63940100709397 0.56250000000000 0.98265648043327 15.999 > 1 7 O 0.13940100709397 0.81250000000000 0.98265648043327 15.999 > 1 8 O 0.63940100709397 0.81250000000000 0.98265648043327 15.999 > 1 9 O 0.36059899290603 0.18750000000000 0.01734351956673 15.999 > 9 10 O 0.86059899290603 0.18750000000000 0.01734351956673 15.999 > 9 11 O 0.36059899290603 0.43750000000000 0.01734351956673 15.999 > 9 12 O 0.86059899290603 0.43750000000000 0.01734351956673 15.999 > 9 13 O 0.36059899290603 0.68750000000000 0.01734351956673 15.999 > 9 14 O 0.86059899290603 0.68750000000000 0.01734351956673 15.999 > 9 15 O 0.36059899290603 0.93750000000000 0.01734351956673 15.999 > 9 16 O 0.86059899290603 0.93750000000000 0.01734351956673 15.999 > 9 17 O 0.38940100709397 0.06250000000000 0.51734351956673 15.999 > 17 18 O 0.88940100709397 0.06250000000000 0.51734351956673 15.999 > 17 19 O 0.38940100709397 0.31250000000000 0.51734351956673 15.999 > 17 20 O 0.88940100709397 0.31250000000000 0.51734351956673 15.999 > 17 21 O 0.38940100709397 0.56250000000000 0.51734351956673 15.999 > 17 22 O 0.88940100709397 0.56250000000000 0.51734351956673 15.999 > 17 23 O 0.38940100709397 0.81250000000000 0.51734351956673 15.999 > 17 24 O 0.88940100709397 0.81250000000000 0.51734351956673 15.999 > 17 25 O 0.11059899290603 0.18750000000000 0.48265648043327 15.999 > 25 26 O 0.61059899290603 0.18750000000000 0.48265648043327 15.999 > 25 27 O 0.11059899290603 0.43750000000000 0.48265648043327 15.999 > 25 28 O 0.61059899290603 0.43750000000000 0.48265648043327 15.999 > 25 29 O 0.11059899290603 0.68750000000000 0.48265648043327 15.999 > 25 30 O 0.61059899290603 0.68750000000000 0.48265648043327 15.999 > 25 31 O 0.11059899290603 0.93750000000000 0.48265648043327 15.999 > 25 32 O 0.61059899290603 0.93750000000000 0.48265648043327 15.999 > 25 33 O 0.42769125809300 0.06250000000000 0.25114494547452 15.999 > 33 34 O 0.92769125809300 0.06250000000000 0.25114494547452 15.999 > 33 35 O 0.42769125809300 0.31250000000000 0.25114494547452 15.999 > 33 36 O 0.92769125809300 0.31250000000000 0.25114494547452 15.999 > 33 37 O 0.42769125809300 0.56250000000000 0.25114494547452 15.999 > 33 38 O 0.92769125809300 0.56250000000000 0.25114494547452 15.999 > 33 39 O 0.42769125809300 0.81250000000000 0.25114494547452 15.999 > 33 40 O 0.92769125809300 0.81250000000000 0.25114494547452 15.999 > 33 41 O 0.32230874190700 0.18750000000000 0.75114494547452 15.999 > 41 42 O 0.82230874190700 0.18750000000000 0.75114494547452 15.999 > 41 43 O 0.32230874190700 0.43750000000000 0.75114494547452 15.999 > 41 44 O 0.82230874190700 0.43750000000000 0.75114494547452 15.999 > 41 45 O 0.32230874190700 0.68750000000000 0.75114494547452 15.999 > 41 46 O 0.82230874190700 0.68750000000000 0.75114494547452 15.999 > 41 47 O 0.32230874190700 0.93750000000000 0.75114494547452 15.999 > 41 48 O 0.82230874190700 0.93750000000000 0.75114494547452 15.999 > 41 49 O 0.17769125809300 0.06250000000000 0.24885505452548 15.999 > 49 50 O 0.67769125809300 0.06250000000000 0.24885505452548 15.999 > 49 51 O 0.17769125809300 0.31250000000000 0.24885505452548 15.999 > 49 52 O 0.67769125809300 0.31250000000000 0.24885505452548 15.999 > 49 53 O 0.17769125809300 0.56250000000000 0.24885505452548 15.999 > 49 54 O 0.67769125809300 0.56250000000000 0.24885505452548 15.999 > 49 55 O 0.17769125809300 0.81250000000000 0.24885505452548 15.999 > 49 56 O 0.67769125809300 0.81250000000000 0.24885505452548 15.999 > 49 57 O 0.07230874190700 0.18750000000000 0.74885505452548 15.999 > 57 58 O 0.57230874190700 0.18750000000000 0.74885505452548 15.999 > 57 59 O 0.07230874190700 0.43750000000000 0.74885505452548 15.999 > 57 60 O 0.57230874190700 0.43750000000000 0.74885505452548 15.999 > 57 61 O 0.07230874190700 0.68750000000000 0.74885505452548 15.999 > 57 62 O 0.57230874190700 0.68750000000000 0.74885505452548 15.999 > 57 63 O 0.07230874190700 0.93750000000000 0.74885505452548 15.999 > 57 64 O 0.57230874190700 0.93750000000000 0.74885505452548 15.999 > 57 65 Cd 0.45309408037360 0.18750000000000 0.60659714873269 112.411 > 65 66 Cd 0.95309408037360 0.18750000000000 0.60659714873269 112.411 > 65 67 Cd 0.45309408037360 0.43750000000000 0.60659714873269 112.411 > 65 68 Cd 0.95309408037360 0.43750000000000 0.60659714873269 112.411 > 65 69 Cd 0.45309408037360 0.68750000000000 0.60659714873269 112.411 > 65 70 Cd 0.95309408037360 0.68750000000000 0.60659714873269 112.411 > 65 71 Cd 0.45309408037360 0.93750000000000 0.60659714873269 112.411 > 65 72 Cd 0.95309408037360 0.93750000000000 0.60659714873269 112.411 > 65 73 Cd 0.20309408037360 0.18750000000000 0.89340285126731 112.411 > 73 74 Cd 0.70309408037360 0.18750000000000 0.89340285126731 112.411 > 73 75 Cd 0.20309408037360 0.43750000000000 0.89340285126731 112.411 > 73 76 Cd 0.70309408037360 0.43750000000000 0.89340285126731 112.411 > 73 77 Cd 0.20309408037360 0.68750000000000 0.89340285126731 112.411 > 73 78 Cd 0.70309408037360 0.68750000000000 0.89340285126731 112.411 > 73 79 Cd 0.20309408037360 0.93750000000000 0.89340285126731 112.411 > 73 80 Cd 0.70309408037360 0.93750000000000 0.89340285126731 112.411 > 73 81 Cd 0.04690591962640 0.06250000000000 0.39340285126731 112.411 > 81 82 Cd 0.54690591962640 0.06250000000000 0.39340285126731 112.411 > 81 83 Cd 0.04690591962640 0.31250000000000 0.39340285126731 112.411 > 81 84 Cd 0.54690591962640 0.31250000000000 0.39340285126731 112.411 > 81 85 Cd 0.04690591962640 0.56250000000000 0.39340285126731 112.411 > 81 86 Cd 0.54690591962640 0.56250000000000 0.39340285126731 112.411 > 81 87 Cd 0.04690591962640 0.81250000000000 0.39340285126731 112.411 > 81 88 Cd 0.54690591962640 0.81250000000000 0.39340285126731 112.411 > 81 89 Cd 0.29690591962640 0.06250000000000 0.10659714873269 112.411 > 89 90 Cd 0.79690591962640 0.06250000000000 0.10659714873269 112.411 > 89 91 Cd 0.29690591962640 0.31250000000000 0.10659714873269 112.411 > 89 92 Cd 0.79690591962640 0.31250000000000 0.10659714873269 112.411 > 89 93 Cd 0.29690591962640 0.56250000000000 0.10659714873269 112.411 > 89 94 Cd 0.79690591962640 0.56250000000000 0.10659714873269 112.411 > 89 95 Cd 0.29690591962640 0.81250000000000 0.10659714873269 112.411 > 89 96 Cd 0.79690591962640 0.81250000000000 0.10659714873269 112.411 > 89 97 Ba 0.19811077864313 0.06250000000000 0.64257358916423 137.327 > 97 98 Ba 0.69811077864313 0.06250000000000 0.64257358916423 137.327 > 97 99 Ba 0.19811077864313 0.31250000000000 0.64257358916423 137.327 > 97 100 Ba 0.69811077864313 0.31250000000000 0.64257358916423 137.327 > 97 101 Ba 0.19811077864313 0.56250000000000 0.64257358916423 137.327 > 97 102 Ba 0.69811077864313 0.56250000000000 0.64257358916423 137.327 > 97 103 Ba 0.19811077864313 0.81250000000000 0.64257358916423 137.327 > 97 104 Ba 0.69811077864313 0.81250000000000 0.64257358916423 137.327 > 97 105 Ba 0.30188922135687 0.18750000000000 0.35742641083577 137.327 > 105 106 Ba 0.80188922135687 0.18750000000000 0.35742641083577 137.327 > 105 107 Ba 0.30188922135687 0.43750000000000 0.35742641083577 137.327 > 105 108 Ba 0.80188922135687 0.43750000000000 0.35742641083577 137.327 > 105 109 Ba 0.30188922135687 0.68750000000000 0.35742641083577 137.327 > 105 110 Ba 0.80188922135687 0.68750000000000 0.35742641083577 137.327 > 105 111 Ba 0.30188922135687 0.93750000000000 0.35742641083577 137.327 > 105 112 Ba 0.80188922135687 0.93750000000000 0.35742641083577 137.327 > 105 113 Ba 0.44811077864313 0.06250000000000 0.85742641083577 137.327 > 113 114 Ba 0.94811077864313 0.06250000000000 0.85742641083577 137.327 > 113 115 Ba 0.44811077864313 0.31250000000000 0.85742641083577 137.327 > 113 116 Ba 0.94811077864313 0.31250000000000 0.85742641083577 137.327 > 113 117 Ba 0.44811077864313 0.56250000000000 0.85742641083577 137.327 > 113 118 Ba 0.94811077864313 0.56250000000000 0.85742641083577 137.327 > 113 119 Ba 0.44811077864313 0.81250000000000 0.85742641083577 137.327 > 113 120 Ba 0.94811077864313 0.81250000000000 0.85742641083577 137.327 > 113 121 Ba 0.05188922135687 0.18750000000000 0.14257358916423 137.327 > 121 122 Ba 0.55188922135687 0.18750000000000 0.14257358916423 137.327 > 121 123 Ba 0.05188922135687 0.43750000000000 0.14257358916423 137.327 > 121 124 Ba 0.55188922135687 0.43750000000000 0.14257358916423 137.327 > 121 125 Ba 0.05188922135687 0.68750000000000 0.14257358916423 137.327 > 121 126 Ba 0.55188922135687 0.68750000000000 0.14257358916423 137.327 > 121 127 Ba 0.05188922135687 0.93750000000000 0.14257358916423 137.327 > 121 128 Ba 0.55188922135687 0.93750000000000 0.14257358916423 137.327 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7507532 0.0000000 0.0000000 0.0000000 5.5852193 0.0000000 0.0000000 0.0000000 5.4301791 -------------------------- Born effective charges -------------------------- 1 O -2.2287805 0.0000000 -0.0142834 0.0000000 -2.7128225 0.0000000 -0.1353516 0.0000000 -2.4614461 2 O -2.2287805 0.0000000 -0.0142834 0.0000000 -2.7128225 0.0000000 -0.1353516 0.0000000 -2.4614461 3 O -2.2287805 0.0000000 0.0142834 0.0000000 -2.7128225 0.0000000 0.1353516 0.0000000 -2.4614461 4 O -2.2287805 0.0000000 0.0142834 0.0000000 -2.7128225 0.0000000 0.1353516 0.0000000 -2.4614461 5 O -2.7693763 0.0000000 -0.3042694 0.0000000 -2.3150717 0.0000000 -0.0249624 0.0000000 -2.4479490 6 O -2.7693763 0.0000000 0.3042694 0.0000000 -2.3150717 0.0000000 0.0249624 0.0000000 -2.4479490 7 O -2.7693763 0.0000000 0.3042694 0.0000000 -2.3150717 0.0000000 0.0249624 0.0000000 -2.4479490 8 O -2.7693763 0.0000000 -0.3042694 0.0000000 -2.3150717 0.0000000 -0.0249624 0.0000000 -2.4479490 9 Cd 2.2680286 0.0000000 -0.1377917 0.0000000 2.1390259 0.0000000 -0.2516748 0.0000000 2.4666360 10 Cd 2.2680286 0.0000000 0.1377917 0.0000000 2.1390259 0.0000000 0.2516748 0.0000000 2.4666360 11 Cd 2.2680286 0.0000000 -0.1377917 0.0000000 2.1390259 0.0000000 -0.2516748 0.0000000 2.4666360 12 Cd 2.2680286 0.0000000 0.1377917 0.0000000 2.1390259 0.0000000 0.2516748 0.0000000 2.4666360 13 Ba 2.7301282 0.0000000 0.0331783 0.0000000 2.8888683 0.0000000 0.1691129 0.0000000 2.4427591 14 Ba 2.7301282 0.0000000 0.0331783 0.0000000 2.8888683 0.0000000 0.1691129 0.0000000 2.4427591 15 Ba 2.7301282 0.0000000 -0.0331783 0.0000000 2.8888683 0.0000000 -0.1691129 0.0000000 2.4427591 16 Ba 2.7301282 0.0000000 -0.0331783 0.0000000 2.8888683 0.0000000 -0.1691129 0.0000000 2.4427591 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 301, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 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 1.527 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.771 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.856 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.406 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.233 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 11.991 ( 0.000 0.000 0.000) 0.000 12.049 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 13.620 ( 0.000 0.000 0.000) 0.000 14.102 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 22.840 0.000 0.000) 22.840 0.486 ( 23.673 0.000 0.000) 23.673 0.945 ( 45.718 0.000 0.000) 45.718 1.630 ( 3.554 0.000 0.000) 3.554 1.724 ( 16.918 0.000 0.000) 16.918 2.021 ( 2.257 0.000 0.000) 2.257 2.044 ( 0.843 0.000 0.000) 0.843 2.418 ( -3.652 0.000 0.000) 3.652 2.483 ( -0.266 0.000 0.000) 0.266 2.614 ( -2.019 0.000 0.000) 2.019 2.636 ( -6.026 0.000 0.000) 6.026 2.717 ( 3.009 0.000 0.000) 3.009 2.894 ( -2.930 0.000 0.000) 2.930 3.021 ( -6.502 0.000 0.000) 6.502 3.033 ( -0.822 0.000 0.000) 0.822 3.203 ( -1.616 0.000 0.000) 1.616 3.435 ( 4.037 0.000 0.000) 4.037 3.608 ( -3.043 0.000 0.000) 3.043 3.836 ( 2.608 0.000 0.000) 2.608 3.937 ( 6.993 0.000 0.000) 6.993 4.097 ( -0.559 0.000 0.000) 0.559 4.647 ( -4.703 0.000 0.000) 4.703 4.716 ( -5.542 0.000 0.000) 5.542 5.239 ( -4.762 0.000 0.000) 4.762 6.202 ( 6.347 0.000 0.000) 6.347 6.248 ( 5.752 0.000 0.000) 5.752 6.319 ( 2.174 0.000 0.000) 2.174 6.458 ( 2.921 0.000 0.000) 2.921 6.862 ( -2.064 0.000 0.000) 2.064 6.959 ( 7.889 0.000 0.000) 7.889 7.021 ( -2.412 0.000 0.000) 2.412 7.143 ( 23.808 0.000 0.000) 23.808 7.941 ( -5.771 0.000 0.000) 5.771 8.440 ( 8.009 0.000 0.000) 8.009 8.729 ( 12.712 0.000 0.000) 12.712 9.338 ( -1.726 0.000 0.000) 1.726 9.396 ( -0.868 0.000 0.000) 0.868 9.430 ( 0.306 0.000 0.000) 0.306 9.957 ( 6.183 0.000 0.000) 6.183 10.193 ( 0.124 0.000 0.000) 0.124 10.241 ( 0.679 0.000 0.000) 0.679 10.625 ( 9.669 0.000 0.000) 9.669 11.930 ( -6.078 0.000 0.000) 6.078 11.956 ( -1.648 0.000 0.000) 1.648 12.406 ( -4.819 0.000 0.000) 4.819 12.645 ( 4.621 0.000 0.000) 4.621 13.571 ( -4.846 0.000 0.000) 4.846 13.996 ( -9.845 0.000 0.000) 9.845 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 22.344 0.000 0.000) 22.344 0.958 ( 22.555 0.000 0.000) 22.555 1.734 ( 6.536 0.000 0.000) 6.536 1.840 ( 41.417 0.000 0.000) 41.417 2.076 ( 2.438 0.000 0.000) 2.438 2.081 ( 2.978 0.000 0.000) 2.978 2.103 ( 18.291 0.000 0.000) 18.291 2.318 ( -5.631 0.000 0.000) 5.631 2.445 ( -4.387 0.000 0.000) 4.387 2.465 ( -10.693 0.000 0.000) 10.693 2.554 ( -3.736 0.000 0.000) 3.736 2.782 ( 2.733 0.000 0.000) 2.733 2.838 ( -1.637 0.000 0.000) 1.637 2.838 ( -10.115 0.000 0.000) 10.115 3.007 ( -1.757 0.000 0.000) 1.757 3.177 ( -0.178 0.000 0.000) 0.178 3.530 ( -4.436 0.000 0.000) 4.436 3.554 ( 6.866 0.000 0.000) 6.866 3.907 ( 4.434 0.000 0.000) 4.434 4.089 ( -0.559 0.000 0.000) 0.559 4.117 ( 9.961 0.000 0.000) 9.961 4.466 ( -13.712 0.000 0.000) 13.712 4.580 ( -6.819 0.000 0.000) 6.819 5.100 ( -8.694 0.000 0.000) 8.694 6.338 ( 6.547 0.000 0.000) 6.547 6.384 ( 4.181 0.000 0.000) 4.181 6.389 ( 7.094 0.000 0.000) 7.094 6.537 ( 4.658 0.000 0.000) 4.658 6.802 ( -3.790 0.000 0.000) 3.790 6.952 ( -4.205 0.000 0.000) 4.205 7.161 ( 11.219 0.000 0.000) 11.219 7.759 ( 33.288 0.000 0.000) 33.288 7.826 ( -5.267 0.000 0.000) 5.267 8.604 ( 7.263 0.000 0.000) 7.263 8.999 ( 11.140 0.000 0.000) 11.140 9.297 ( -2.000 0.000 0.000) 2.000 9.378 ( -0.645 0.000 0.000) 0.645 9.432 ( -0.185 0.000 0.000) 0.185 10.192 ( 17.779 0.000 0.000) 17.779 10.200 ( 0.622 0.000 0.000) 0.622 10.255 ( 0.523 0.000 0.000) 0.523 10.873 ( 13.240 0.000 0.000) 13.240 11.743 ( -12.192 0.000 0.000) 12.192 11.976 ( 5.695 0.000 0.000) 5.695 12.243 ( -11.537 0.000 0.000) 11.537 12.781 ( 8.473 0.000 0.000) 8.473 13.418 ( -10.479 0.000 0.000) 10.479 13.737 ( -14.534 0.000 0.000) 14.534 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 21.562 0.000 0.000) 21.562 1.397 ( 20.296 0.000 0.000) 20.296 1.891 ( 8.711 0.000 0.000) 8.711 2.033 ( -8.571 0.000 0.000) 8.571 2.165 ( 5.149 0.000 0.000) 5.149 2.171 ( -15.261 0.000 0.000) 15.261 2.260 ( -0.603 0.000 0.000) 0.603 2.304 ( -6.651 0.000 0.000) 6.651 2.335 ( 3.139 0.000 0.000) 3.139 2.465 ( -4.909 0.000 0.000) 4.909 2.674 ( 36.268 0.000 0.000) 36.268 2.699 ( -1.040 0.000 0.000) 1.040 2.806 ( -0.571 0.000 0.000) 0.571 2.845 ( 2.036 0.000 0.000) 2.036 2.962 ( -2.681 0.000 0.000) 2.681 3.214 ( 3.735 0.000 0.000) 3.735 3.431 ( -5.271 0.000 0.000) 5.271 3.654 ( -0.410 0.000 0.000) 0.410 4.023 ( 7.004 0.000 0.000) 7.004 4.062 ( -2.187 0.000 0.000) 2.187 4.117 ( -14.843 0.000 0.000) 14.843 4.314 ( 2.145 0.000 0.000) 2.145 4.470 ( 0.433 0.000 0.000) 0.433 4.895 ( -11.273 0.000 0.000) 11.273 6.456 ( 4.798 0.000 0.000) 4.798 6.484 ( 5.470 0.000 0.000) 5.470 6.501 ( 3.439 0.000 0.000) 3.439 6.640 ( 5.273 0.000 0.000) 5.273 6.711 ( -5.055 0.000 0.000) 5.055 6.855 ( -5.118 0.000 0.000) 5.118 7.391 ( 10.822 0.000 0.000) 10.822 7.721 ( -5.490 0.000 0.000) 5.490 8.371 ( 24.325 0.000 0.000) 24.325 8.712 ( 2.893 0.000 0.000) 2.893 9.142 ( 3.758 0.000 0.000) 3.758 9.259 ( -2.001 0.000 0.000) 2.001 9.375 ( 0.423 0.000 0.000) 0.423 9.419 ( -1.068 0.000 0.000) 1.068 10.219 ( 1.161 0.000 0.000) 1.161 10.258 ( -0.305 0.000 0.000) 0.305 10.647 ( 24.378 0.000 0.000) 24.378 11.135 ( 13.646 0.000 0.000) 13.646 11.445 ( -16.564 0.000 0.000) 16.564 11.930 ( -19.071 0.000 0.000) 19.071 12.237 ( 19.338 0.000 0.000) 19.338 12.978 ( 10.647 0.000 0.000) 10.647 13.125 ( -18.442 0.000 0.000) 18.442 13.450 ( -12.987 0.000 0.000) 12.987 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -16.172 0.000 0.000) 16.172 1.772 ( 16.172 0.000 0.000) 16.172 1.800 ( -20.016 0.000 0.000) 20.016 1.800 ( 20.016 0.000 0.000) 20.016 2.084 ( -10.097 0.000 0.000) 10.097 2.084 ( 10.097 0.000 0.000) 10.097 2.280 ( -5.689 0.000 0.000) 5.689 2.280 ( 5.689 0.000 0.000) 5.689 2.361 ( -5.142 0.000 0.000) 5.142 2.361 ( 5.142 0.000 0.000) 5.142 2.759 ( -3.890 0.000 0.000) 3.890 2.759 ( 3.890 0.000 0.000) 3.890 2.901 ( -3.119 0.000 0.000) 3.119 2.901 ( 3.119 0.000 0.000) 3.119 3.295 ( -4.515 0.000 0.000) 4.515 3.295 ( 4.515 0.000 0.000) 4.515 3.364 ( -17.539 0.000 0.000) 17.539 3.364 ( 17.539 0.000 0.000) 17.539 4.005 ( -2.039 0.000 0.000) 2.039 4.005 ( 2.039 0.000 0.000) 2.039 4.192 ( -8.849 0.000 0.000) 8.849 4.192 ( 8.849 0.000 0.000) 8.849 4.653 ( -12.059 0.000 0.000) 12.059 4.653 ( 12.059 0.000 0.000) 12.059 6.521 ( -1.354 0.000 0.000) 1.354 6.521 ( 1.354 0.000 0.000) 1.354 6.600 ( -5.724 0.000 0.000) 5.724 6.600 ( 5.724 0.000 0.000) 5.724 6.748 ( -5.357 0.000 0.000) 5.357 6.748 ( 5.357 0.000 0.000) 5.357 7.586 ( -8.102 0.000 0.000) 8.102 7.586 ( 8.102 0.000 0.000) 8.102 8.688 ( -6.887 0.000 0.000) 6.887 8.688 ( 6.887 0.000 0.000) 6.887 9.205 ( -3.137 0.000 0.000) 3.137 9.205 ( 3.137 0.000 0.000) 3.137 9.394 ( -1.252 0.000 0.000) 1.252 9.394 ( 1.252 0.000 0.000) 1.252 10.243 ( -1.071 0.000 0.000) 1.071 10.243 ( 1.071 0.000 0.000) 1.071 11.088 ( -18.714 0.000 0.000) 18.714 11.088 ( 18.714 0.000 0.000) 18.714 11.498 ( -21.655 0.000 0.000) 21.655 11.498 ( 21.655 0.000 0.000) 21.655 12.690 ( -23.268 0.000 0.000) 23.268 12.690 ( 23.268 0.000 0.000) 23.268 13.204 ( -11.494 0.000 0.000) 11.494 13.204 ( 11.494 0.000 0.000) 11.494 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 0.000 23.762 0.000) 23.762 0.465 ( 0.000 23.762 0.000) 23.762 0.901 ( 0.000 44.987 0.000) 44.987 1.575 ( 0.000 4.868 0.000) 4.868 1.733 ( 0.000 12.888 0.000) 12.888 2.034 ( 0.000 3.373 0.000) 3.373 2.070 ( 0.000 3.402 0.000) 3.402 2.558 ( 0.000 9.170 0.000) 9.170 2.596 ( 0.000 11.087 0.000) 11.087 2.669 ( 0.000 1.182 0.000) 1.182 2.709 ( 0.000 3.355 0.000) 3.355 2.721 ( 0.000 4.291 0.000) 4.291 2.955 ( 0.000 2.040 0.000) 2.040 3.102 ( 0.000 1.910 0.000) 1.910 3.126 ( 0.000 8.234 0.000) 8.234 3.260 ( 0.000 4.028 0.000) 4.028 3.420 ( 0.000 2.883 0.000) 2.883 3.635 ( 0.000 -0.615 0.000) 0.615 3.817 ( 0.000 3.504 0.000) 3.504 3.866 ( 0.000 0.717 0.000) 0.717 3.907 ( 0.000 -0.722 0.000) 0.722 4.661 ( 0.000 -3.320 0.000) 3.320 4.745 ( 0.000 -2.632 0.000) 2.632 5.251 ( 0.000 -3.723 0.000) 3.723 6.096 ( 0.000 -2.606 0.000) 2.606 6.175 ( 0.000 -0.766 0.000) 0.766 6.367 ( 0.000 6.907 0.000) 6.907 6.483 ( 0.000 5.436 0.000) 5.436 6.808 ( 0.000 -7.422 0.000) 7.422 6.878 ( 0.000 1.922 0.000) 1.922 6.909 ( 0.000 2.442 0.000) 2.442 7.177 ( 0.000 10.022 0.000) 10.022 8.033 ( 0.000 1.475 0.000) 1.475 8.352 ( 0.000 1.469 0.000) 1.469 8.419 ( 0.000 3.593 0.000) 3.593 9.062 ( 0.000 -3.458 0.000) 3.458 9.117 ( 0.000 -12.607 0.000) 12.607 9.676 ( 0.000 15.159 0.000) 15.159 9.904 ( 0.000 0.608 0.000) 0.608 10.322 ( 0.000 8.758 0.000) 8.758 10.364 ( 0.000 16.330 0.000) 16.330 10.505 ( 0.000 -1.747 0.000) 1.747 11.881 ( 0.000 -11.138 0.000) 11.138 11.986 ( 0.000 -6.242 0.000) 6.242 12.338 ( 0.000 -11.379 0.000) 11.379 13.109 ( 0.000 2.462 0.000) 2.462 13.611 ( 0.000 -0.794 0.000) 0.794 14.080 ( 0.000 -2.123 0.000) 2.123 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 15.839 16.317 0.000) 22.741 0.710 ( 17.937 16.586 0.000) 24.430 1.274 ( 31.717 29.952 0.000) 43.625 1.727 ( 10.054 5.110 0.000) 11.278 1.800 ( 9.261 10.979 0.000) 14.364 2.058 ( 2.207 3.400 0.000) 4.053 2.075 ( 0.770 3.239 0.000) 3.329 2.523 ( -3.208 9.418 0.000) 9.950 2.579 ( -1.665 9.201 0.000) 9.350 2.609 ( -5.045 0.707 0.000) 5.094 2.687 ( -3.308 4.298 0.000) 5.423 2.747 ( 2.956 3.943 0.000) 4.928 2.926 ( -2.543 2.470 0.000) 3.545 3.024 ( -6.355 2.174 0.000) 6.716 3.125 ( -0.818 7.861 0.000) 7.904 3.252 ( -1.309 5.009 0.000) 5.178 3.448 ( 3.692 1.737 0.000) 4.080 3.598 ( -3.336 -1.003 0.000) 3.484 3.853 ( 2.593 2.177 0.000) 3.386 3.940 ( 6.697 0.398 0.000) 6.709 4.013 ( 4.573 -4.569 0.000) 6.465 4.620 ( -4.206 -2.696 0.000) 4.996 4.688 ( -5.654 -2.824 0.000) 6.320 5.202 ( -4.654 -3.611 0.000) 5.891 6.144 ( 4.837 -3.576 0.000) 6.015 6.224 ( 4.355 -1.701 0.000) 4.675 6.395 ( 2.658 7.447 0.000) 7.907 6.523 ( 3.952 5.975 0.000) 7.164 6.840 ( 1.782 -5.323 0.000) 5.614 6.996 ( 9.404 4.655 0.000) 10.493 7.090 ( 3.202 3.583 0.000) 4.805 7.226 ( 16.398 8.627 0.000) 18.528 7.957 ( -5.717 1.685 0.000) 5.960 8.449 ( 7.600 0.882 0.000) 7.651 8.583 ( 12.864 -6.651 0.000) 14.481 9.104 ( -1.173 -12.388 0.000) 12.444 9.315 ( 14.279 -6.516 0.000) 15.696 9.662 ( -1.252 15.066 0.000) 15.118 9.933 ( 2.854 -1.248 0.000) 3.115 10.324 ( 0.075 8.136 0.000) 8.136 10.353 ( 1.051 12.365 0.000) 12.409 10.644 ( 11.657 3.564 0.000) 12.189 11.825 ( -5.562 -10.587 0.000) 11.959 11.943 ( -3.089 -4.825 0.000) 5.730 12.291 ( -4.731 -11.319 0.000) 12.268 12.848 ( -10.669 12.409 0.000) 16.365 13.563 ( -4.759 -0.686 0.000) 4.808 13.981 ( -9.385 -1.576 0.000) 9.517 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 19.609 9.437 0.000) 21.762 1.101 ( 19.877 12.097 0.000) 23.269 1.858 ( 6.782 10.696 0.000) 12.665 1.999 ( 35.314 15.926 0.000) 38.739 2.106 ( 2.802 2.730 0.000) 3.912 2.118 ( 2.606 3.548 0.000) 4.402 2.124 ( 17.479 2.404 0.000) 17.643 2.426 ( -5.873 10.344 0.000) 11.895 2.455 ( -9.990 0.271 0.000) 9.993 2.529 ( -3.958 7.768 0.000) 8.718 2.614 ( -3.489 4.868 0.000) 5.989 2.790 ( 0.837 1.822 0.000) 2.005 2.857 ( -9.394 2.931 0.000) 9.841 2.882 ( -0.997 3.539 0.000) 3.677 3.087 ( -2.777 7.055 0.000) 7.582 3.227 ( -0.138 5.157 0.000) 5.159 3.518 ( -4.172 -0.971 0.000) 4.283 3.567 ( 7.000 1.533 0.000) 7.166 3.921 ( 4.243 1.765 0.000) 4.595 4.062 ( 0.861 -2.076 0.000) 2.247 4.112 ( 9.593 -0.373 0.000) 9.600 4.448 ( -13.276 -1.741 0.000) 13.389 4.556 ( -6.375 -2.323 0.000) 6.785 5.067 ( -8.439 -3.255 0.000) 9.045 6.257 ( 5.534 -5.629 0.000) 7.894 6.320 ( 4.284 -4.495 0.000) 6.210 6.470 ( 4.566 8.371 0.000) 9.536 6.640 ( 7.110 8.004 0.000) 10.706 6.839 ( -1.926 1.026 0.000) 2.182 7.041 ( -3.480 7.370 0.000) 8.150 7.214 ( 11.063 5.653 0.000) 12.424 7.781 ( 31.287 2.343 0.000) 31.375 7.841 ( -5.440 1.506 0.000) 5.645 8.604 ( 6.732 0.033 0.000) 6.732 8.849 ( 11.131 -10.489 0.000) 15.294 9.082 ( -0.581 -11.613 0.000) 11.627 9.511 ( 5.798 5.022 0.000) 7.670 9.630 ( -1.818 14.524 0.000) 14.637 10.034 ( 7.363 -6.458 0.000) 9.794 10.322 ( -0.305 6.608 0.000) 6.615 10.442 ( 8.047 12.604 0.000) 14.954 10.920 ( 13.861 5.736 0.000) 15.001 11.653 ( -11.355 -9.104 0.000) 14.554 11.940 ( 5.165 -4.535 0.000) 6.873 12.138 ( -10.480 -10.243 0.000) 14.655 12.798 ( 3.832 2.303 0.000) 4.471 13.413 ( -10.331 -0.447 0.000) 10.341 13.728 ( -14.545 -0.896 0.000) 14.573 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 19.978 5.632 0.000) 20.757 1.500 ( 18.877 9.219 0.000) 21.007 2.011 ( 8.440 11.022 0.000) 13.882 2.099 ( -6.848 5.690 0.000) 8.904 2.178 ( -14.556 1.195 0.000) 14.605 2.185 ( 4.834 2.145 0.000) 5.289 2.342 ( 2.244 0.924 0.000) 2.427 2.344 ( -0.872 8.103 0.000) 8.150 2.402 ( -7.081 9.553 0.000) 11.891 2.543 ( -1.945 6.773 0.000) 7.047 2.704 ( -0.502 0.831 0.000) 0.971 2.756 ( 29.955 8.687 0.000) 31.190 2.804 ( 0.264 0.016 0.000) 0.265 2.876 ( 0.535 2.629 0.000) 2.683 3.021 ( -2.950 5.170 0.000) 5.953 3.262 ( 3.307 4.924 0.000) 5.932 3.432 ( -4.245 0.646 0.000) 4.294 3.670 ( -0.104 1.819 0.000) 1.822 4.030 ( 6.061 0.948 0.000) 6.135 4.056 ( -1.034 -0.328 0.000) 1.085 4.117 ( -14.197 0.048 0.000) 14.197 4.299 ( 2.294 -1.337 0.000) 2.655 4.453 ( 0.521 -1.447 0.000) 1.538 4.867 ( -10.999 -2.745 0.000) 11.336 6.353 ( 3.597 -7.359 0.000) 8.190 6.383 ( 1.927 -7.266 0.000) 7.517 6.573 ( 5.337 8.683 0.000) 10.192 6.774 ( -4.138 5.230 0.000) 6.669 6.784 ( 6.476 10.026 0.000) 11.936 6.969 ( -3.521 8.624 0.000) 9.315 7.434 ( 10.089 4.634 0.000) 11.103 7.735 ( -5.260 1.464 0.000) 5.460 8.357 ( 23.025 -1.104 0.000) 23.052 8.696 ( 1.932 -1.469 0.000) 2.427 8.995 ( 3.857 -10.243 0.000) 10.945 9.082 ( 0.070 -10.032 0.000) 10.032 9.578 ( 1.248 11.517 0.000) 11.584 9.596 ( -1.306 13.574 0.000) 13.637 10.191 ( 6.398 -3.652 0.000) 7.367 10.309 ( -1.046 4.757 0.000) 4.871 10.691 ( 15.920 3.915 0.000) 16.395 11.180 ( 12.947 4.937 0.000) 13.857 11.372 ( -15.737 -7.228 0.000) 17.317 11.863 ( -16.325 -6.387 0.000) 17.529 12.209 ( 20.392 -2.860 0.000) 20.592 12.944 ( 9.667 -2.767 0.000) 10.055 13.124 ( -18.395 -0.097 0.000) 18.396 13.430 ( -13.899 -1.818 0.000) 14.017 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -9.221 3.865 0.000) 9.998 1.810 ( 9.221 3.865 0.000) 9.998 1.873 ( -5.868 6.912 0.000) 9.067 1.873 ( 5.868 6.912 0.000) 9.067 2.196 ( -9.478 10.499 0.000) 14.145 2.196 ( 9.478 10.499 0.000) 14.145 2.291 ( -4.938 1.412 0.000) 5.136 2.291 ( 4.938 1.412 0.000) 5.136 2.440 ( -5.813 7.283 0.000) 9.319 2.440 ( 5.813 7.283 0.000) 9.319 2.762 ( -4.065 0.349 0.000) 4.080 2.762 ( 4.065 0.349 0.000) 4.080 2.926 ( -3.647 2.046 0.000) 4.181 2.926 ( 3.647 2.046 0.000) 4.181 3.339 ( -1.265 4.238 0.000) 4.423 3.339 ( 1.265 4.238 0.000) 4.423 3.390 ( -22.497 3.221 0.000) 22.726 3.390 ( 22.497 3.221 0.000) 22.726 4.008 ( -1.735 0.492 0.000) 1.803 4.008 ( 1.735 0.492 0.000) 1.803 4.188 ( -8.215 -0.121 0.000) 8.216 4.188 ( 8.215 -0.121 0.000) 8.216 4.631 ( -11.736 -2.128 0.000) 11.928 4.631 ( 11.736 -2.128 0.000) 11.928 6.397 ( -0.694 -8.298 0.000) 8.327 6.397 ( 0.694 -8.298 0.000) 8.327 6.680 ( -5.033 7.610 0.000) 9.124 6.680 ( 5.033 7.610 0.000) 9.124 6.893 ( -4.257 10.261 0.000) 11.109 6.893 ( 4.257 10.261 0.000) 11.109 7.611 ( -7.232 2.733 0.000) 7.731 7.611 ( 7.232 2.733 0.000) 7.731 8.660 ( -6.836 -2.501 0.000) 7.279 8.660 ( 6.836 -2.501 0.000) 7.279 9.056 ( -2.640 -9.567 0.000) 9.925 9.056 ( 2.640 -9.567 0.000) 9.925 9.584 ( -0.038 13.117 0.000) 13.117 9.584 ( 0.038 13.117 0.000) 13.117 10.276 ( -2.420 2.321 0.000) 3.353 10.276 ( 2.420 2.321 0.000) 3.353 11.035 ( -17.025 -4.905 0.000) 17.717 11.035 ( 17.025 -4.905 0.000) 17.717 11.500 ( -18.153 0.297 0.000) 18.156 11.500 ( 18.153 0.297 0.000) 18.156 12.682 ( -24.005 -0.737 0.000) 24.017 12.682 ( 24.005 -0.736 0.000) 24.017 13.168 ( -12.009 -3.278 0.000) 12.448 13.168 ( 12.009 -3.278 0.000) 12.448 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 22.880 0.000) 22.880 0.924 ( 0.000 23.481 0.000) 23.481 1.685 ( 0.000 18.389 0.000) 18.389 1.749 ( 0.000 28.775 0.000) 28.775 2.022 ( 0.000 15.023 0.000) 15.023 2.106 ( 0.000 3.599 0.000) 3.599 2.171 ( 0.000 7.003 0.000) 7.003 2.701 ( 0.000 4.620 0.000) 4.620 2.708 ( 0.000 2.852 0.000) 2.852 2.819 ( 0.000 5.349 0.000) 5.349 2.879 ( 0.000 16.696 0.000) 16.696 2.887 ( 0.000 14.734 0.000) 14.734 2.967 ( 0.000 -1.274 0.000) 1.274 3.175 ( 0.000 5.812 0.000) 5.812 3.336 ( 0.000 12.588 0.000) 12.588 3.365 ( 0.000 6.005 0.000) 6.005 3.537 ( 0.000 9.287 0.000) 9.287 3.622 ( 0.000 -0.524 0.000) 0.524 3.870 ( 0.000 -1.071 0.000) 1.071 3.901 ( 0.000 3.371 0.000) 3.371 3.935 ( 0.000 6.596 0.000) 6.596 4.568 ( 0.000 -6.201 0.000) 6.201 4.671 ( 0.000 -4.996 0.000) 4.996 5.148 ( 0.000 -6.712 0.000) 6.712 6.030 ( 0.000 -3.946 0.000) 3.946 6.171 ( 0.000 0.803 0.000) 0.803 6.549 ( 0.000 11.240 0.000) 11.240 6.622 ( 0.000 8.485 0.000) 8.485 6.655 ( 0.000 -7.968 0.000) 7.968 6.932 ( 0.000 3.445 0.000) 3.445 6.977 ( 0.000 4.291 0.000) 4.291 7.402 ( 0.000 12.834 0.000) 12.834 8.079 ( 0.000 3.245 0.000) 3.245 8.389 ( 0.000 2.086 0.000) 2.086 8.503 ( 0.000 4.452 0.000) 4.452 8.884 ( 0.000 -11.353 0.000) 11.353 9.009 ( 0.000 -1.242 0.000) 1.242 9.929 ( 0.000 2.047 0.000) 2.047 9.941 ( 0.000 10.699 0.000) 10.699 10.455 ( 0.000 -3.242 0.000) 3.242 10.547 ( 0.000 13.282 0.000) 13.282 10.765 ( 0.000 23.210 0.000) 23.210 11.570 ( 0.000 -20.260 0.000) 20.260 11.820 ( 0.000 -10.218 0.000) 10.218 12.041 ( 0.000 -17.842 0.000) 17.842 13.166 ( 0.000 2.971 0.000) 2.971 13.592 ( 0.000 -1.092 0.000) 1.092 14.022 ( 0.000 -3.768 0.000) 3.768 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 9.324 20.760 0.000) 22.758 1.055 ( 11.875 18.502 0.000) 21.985 1.833 ( 10.787 6.622 0.000) 12.657 1.908 ( 16.207 29.879 0.000) 33.992 2.086 ( 6.684 17.217 0.000) 18.469 2.131 ( 2.342 3.605 0.000) 4.299 2.170 ( 0.079 6.513 0.000) 6.513 2.649 ( -5.369 3.392 0.000) 6.351 2.675 ( -1.692 4.937 0.000) 5.219 2.783 ( -3.089 5.439 0.000) 6.255 2.817 ( -5.084 13.355 0.000) 14.290 2.926 ( 1.352 13.285 0.000) 13.353 2.961 ( -0.184 2.648 0.000) 2.654 3.115 ( -5.367 6.950 0.000) 8.781 3.320 ( -2.103 11.407 0.000) 11.599 3.390 ( 0.697 8.286 0.000) 8.315 3.520 ( 0.784 5.879 0.000) 5.931 3.574 ( -3.533 -1.039 0.000) 3.682 3.912 ( 3.074 1.671 0.000) 3.499 3.965 ( 5.801 2.735 0.000) 6.414 3.978 ( 3.453 2.956 0.000) 4.546 4.547 ( -2.412 -4.612 0.000) 5.205 4.610 ( -5.706 -5.013 0.000) 7.595 5.104 ( -4.196 -6.224 0.000) 7.506 6.081 ( 4.253 -3.096 0.000) 5.260 6.204 ( 2.685 0.075 0.000) 2.686 6.590 ( 3.746 12.006 0.000) 12.577 6.668 ( 4.777 8.606 0.000) 9.843 6.715 ( 5.123 -6.952 0.000) 8.636 7.085 ( 12.893 4.511 0.000) 13.659 7.151 ( 9.772 3.307 0.000) 10.316 7.426 ( 8.022 11.231 0.000) 13.802 8.007 ( -5.661 3.401 0.000) 6.604 8.471 ( 6.592 1.265 0.000) 6.712 8.549 ( 5.170 1.730 0.000) 5.452 8.876 ( -0.615 -10.996 0.000) 11.014 9.225 ( 17.705 -2.665 0.000) 17.904 9.919 ( -2.045 9.897 0.000) 10.106 9.924 ( -0.806 0.433 0.000) 0.915 10.474 ( 3.400 -0.238 0.000) 3.408 10.533 ( -1.418 12.293 0.000) 12.375 10.890 ( 10.811 20.433 0.000) 23.117 11.529 ( -4.012 -19.183 0.000) 19.598 11.779 ( -2.935 -10.729 0.000) 11.123 12.001 ( -3.905 -17.037 0.000) 17.479 13.031 ( -10.078 6.918 0.000) 12.224 13.547 ( -4.468 -0.870 0.000) 4.552 13.936 ( -8.214 -2.934 0.000) 8.722 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 14.597 15.704 0.000) 21.441 1.351 ( 16.310 12.879 0.000) 20.781 2.050 ( 9.731 7.282 0.000) 12.154 2.185 ( 1.967 5.324 0.000) 5.676 2.192 ( 2.811 3.600 0.000) 4.568 2.211 ( 10.907 6.813 0.000) 12.860 2.381 ( 16.548 17.023 0.000) 23.741 2.517 ( -3.176 8.511 0.000) 9.084 2.651 ( -1.352 7.527 0.000) 7.647 2.688 ( -6.624 10.141 0.000) 12.112 2.724 ( -1.321 7.431 0.000) 7.547 2.884 ( -3.996 6.328 0.000) 7.484 2.970 ( -0.783 7.684 0.000) 7.723 2.973 ( -7.946 8.799 0.000) 11.856 3.235 ( -6.040 6.564 0.000) 8.920 3.372 ( -0.343 9.302 0.000) 9.308 3.517 ( -1.833 2.145 0.000) 2.821 3.620 ( 7.177 3.734 0.000) 8.090 3.984 ( 4.012 3.934 0.000) 5.619 4.040 ( 2.249 1.202 0.000) 2.550 4.115 ( 8.405 1.178 0.000) 8.487 4.402 ( -11.959 -2.892 0.000) 12.303 4.503 ( -4.409 -2.585 0.000) 5.111 4.981 ( -7.790 -5.371 0.000) 9.462 6.171 ( 4.102 -2.943 0.000) 5.049 6.252 ( 1.599 -2.055 0.000) 2.603 6.688 ( 5.513 13.354 0.000) 14.448 6.812 ( 8.650 9.347 0.000) 12.735 6.822 ( 4.517 -2.592 0.000) 5.208 7.168 ( -3.018 5.857 0.000) 6.589 7.359 ( 12.383 8.037 0.000) 14.762 7.853 ( 26.798 4.895 0.000) 27.241 7.886 ( -5.834 3.066 0.000) 6.591 8.605 ( 5.475 0.059 0.000) 5.476 8.696 ( 7.886 -4.609 0.000) 9.134 8.872 ( 0.675 -10.104 0.000) 10.127 9.588 ( 15.369 3.087 0.000) 15.676 9.864 ( -3.061 8.083 0.000) 8.643 9.922 ( 2.383 -5.289 0.000) 5.801 10.487 ( -3.106 9.079 0.000) 9.596 10.602 ( 7.966 3.372 0.000) 8.650 11.133 ( 10.837 14.612 0.000) 18.192 11.403 ( -8.407 -15.627 0.000) 17.745 11.794 ( 7.744 -8.991 0.000) 11.866 11.885 ( -7.312 -14.160 0.000) 15.936 12.878 ( -3.435 5.465 0.000) 6.455 13.404 ( -9.888 -0.357 0.000) 9.895 13.703 ( -14.136 -1.558 0.000) 14.221 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 16.535 11.289 0.000) 20.021 1.694 ( 16.935 9.666 0.000) 19.500 2.206 ( -2.953 4.554 0.000) 5.428 2.217 ( -3.209 5.821 0.000) 6.647 2.250 ( 3.783 4.324 0.000) 5.745 2.260 ( -0.173 9.562 0.000) 9.563 2.370 ( 1.529 1.914 0.000) 2.450 2.538 ( -4.930 10.326 0.000) 11.443 2.625 ( -3.965 11.179 0.000) 11.861 2.675 ( 4.086 4.900 0.000) 6.380 2.749 ( -6.291 4.916 0.000) 7.983 2.813 ( -1.740 1.356 0.000) 2.206 2.936 ( -1.416 3.664 0.000) 3.928 3.010 ( 14.346 15.223 0.000) 20.918 3.120 ( 0.948 5.379 0.000) 5.462 3.400 ( 2.499 8.897 0.000) 9.241 3.489 ( -1.315 5.909 0.000) 6.053 3.732 ( 0.880 4.601 0.000) 4.684 4.060 ( -0.144 1.272 0.000) 1.280 4.081 ( 5.326 4.518 0.000) 6.984 4.125 ( -12.035 0.761 0.000) 12.059 4.275 ( 3.508 -0.448 0.000) 3.537 4.428 ( 0.175 -0.591 0.000) 0.616 4.796 ( -10.189 -4.318 0.000) 11.066 6.236 ( 2.163 -4.088 0.000) 4.625 6.268 ( 0.136 -4.174 0.000) 4.177 6.795 ( 4.605 13.319 0.000) 14.092 6.880 ( 1.002 4.638 0.000) 4.745 6.981 ( 7.048 9.826 0.000) 12.092 7.115 ( -1.831 6.161 0.000) 6.428 7.571 ( 8.286 9.000 0.000) 12.234 7.781 ( -4.345 3.371 0.000) 5.500 8.343 ( 19.415 0.017 0.000) 19.415 8.660 ( -0.107 -2.228 0.000) 2.230 8.818 ( 3.917 -7.280 0.000) 8.267 8.905 ( 1.489 -8.182 0.000) 8.317 9.786 ( 4.470 8.743 0.000) 9.819 9.813 ( -1.424 7.299 0.000) 7.437 10.069 ( 10.620 -8.153 0.000) 13.388 10.404 ( -5.187 3.178 0.000) 6.083 10.755 ( 7.185 1.696 0.000) 7.383 11.191 ( -12.125 -9.830 0.000) 15.609 11.312 ( 8.539 6.721 0.000) 10.867 11.712 ( -9.483 -8.163 0.000) 12.512 12.144 ( 24.327 -2.438 0.000) 24.449 12.908 ( 6.159 -0.169 0.000) 6.161 13.125 ( -18.058 0.359 0.000) 18.062 13.393 ( -15.427 -1.718 0.000) 15.523 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -14.581 8.196 0.000) 16.727 1.927 ( 14.581 8.196 0.000) 16.727 2.023 ( -12.429 7.320 0.000) 14.424 2.023 ( 12.429 7.320 0.000) 14.424 2.333 ( -3.731 2.909 0.000) 4.731 2.333 ( 3.731 2.909 0.000) 4.731 2.430 ( -8.208 11.246 0.000) 13.923 2.430 ( 8.208 11.246 0.000) 13.923 2.606 ( -4.725 8.864 0.000) 10.045 2.606 ( 4.725 8.864 0.000) 10.045 2.772 ( -3.713 0.503 0.000) 3.747 2.772 ( 3.713 0.503 0.000) 3.747 2.962 ( -4.283 1.528 0.000) 4.547 2.962 ( 4.283 1.528 0.000) 4.547 3.448 ( -0.761 7.326 0.000) 7.365 3.448 ( 0.761 7.326 0.000) 7.365 3.517 ( -18.723 9.559 0.000) 21.022 3.517 ( 18.723 9.559 0.000) 21.022 4.035 ( -1.273 2.370 0.000) 2.690 4.035 ( 1.273 2.370 0.000) 2.690 4.205 ( -6.377 2.458 0.000) 6.834 4.205 ( 6.377 2.458 0.000) 6.834 4.579 ( -10.592 -2.854 0.000) 10.969 4.579 ( 10.592 -2.854 0.000) 10.969 6.263 ( -0.675 -4.937 0.000) 4.982 6.263 ( 0.675 -4.936 0.000) 4.982 6.866 ( -2.200 10.568 0.000) 10.795 6.866 ( 2.200 10.568 0.000) 10.795 7.078 ( -2.605 8.205 0.000) 8.608 7.078 ( 2.605 8.205 0.000) 8.608 7.698 ( -4.494 6.267 0.000) 7.712 7.698 ( 4.494 6.267 0.000) 7.712 8.603 ( -6.424 -3.177 0.000) 7.167 8.603 ( 6.424 -3.177 0.000) 7.167 8.887 ( -3.039 -7.495 0.000) 8.087 8.887 ( 3.039 -7.495 0.000) 8.087 9.813 ( -0.679 9.058 0.000) 9.084 9.813 ( 0.679 9.058 0.000) 9.084 10.270 ( -8.245 -4.551 0.000) 9.417 10.270 ( 8.245 -4.551 0.000) 9.417 10.940 ( -11.470 -3.368 0.000) 11.955 10.940 ( 11.470 -3.368 0.000) 11.955 11.508 ( -10.259 0.115 0.000) 10.260 11.508 ( 10.259 0.115 0.000) 10.260 12.672 ( -25.560 0.189 0.000) 25.561 12.672 ( 25.560 0.189 0.000) 25.561 13.105 ( -12.456 -2.461 0.000) 12.697 13.105 ( 12.456 -2.461 0.000) 12.697 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 21.047 0.000) 21.047 1.370 ( 0.000 22.119 0.000) 22.119 1.895 ( 0.000 10.925 0.000) 10.925 2.170 ( 0.000 3.101 0.000) 3.101 2.272 ( 0.000 10.187 0.000) 10.187 2.340 ( 0.000 10.097 0.000) 10.097 2.345 ( 0.000 22.034 0.000) 22.034 2.784 ( 0.000 5.004 0.000) 5.004 2.788 ( 0.000 4.760 0.000) 4.760 2.904 ( 0.000 -4.176 0.000) 4.176 2.953 ( 0.000 9.905 0.000) 9.905 3.195 ( 0.000 15.552 0.000) 15.552 3.219 ( 0.000 16.915 0.000) 16.915 3.306 ( 0.000 6.291 0.000) 6.291 3.455 ( 0.000 2.485 0.000) 2.485 3.580 ( 0.000 11.037 0.000) 11.037 3.642 ( 0.000 3.826 0.000) 3.826 3.762 ( 0.000 13.104 0.000) 13.104 3.832 ( 0.000 -2.123 0.000) 2.123 4.018 ( 0.000 8.849 0.000) 8.849 4.114 ( 0.000 11.504 0.000) 11.504 4.424 ( 0.000 -8.441 0.000) 8.441 4.552 ( 0.000 -7.120 0.000) 7.120 5.001 ( 0.000 -7.928 0.000) 7.928 5.950 ( 0.000 -3.999 0.000) 3.999 6.219 ( 0.000 4.420 0.000) 4.420 6.502 ( 0.000 -7.667 0.000) 7.667 6.784 ( 0.000 12.352 0.000) 12.352 6.802 ( 0.000 9.755 0.000) 9.755 7.006 ( 0.000 3.989 0.000) 3.989 7.068 ( 0.000 4.887 0.000) 4.887 7.668 ( 0.000 14.148 0.000) 14.148 8.158 ( 0.000 4.857 0.000) 4.857 8.417 ( 0.000 0.127 0.000) 0.127 8.579 ( 0.000 3.236 0.000) 3.236 8.685 ( 0.000 -8.492 0.000) 8.492 9.026 ( 0.000 3.049 0.000) 3.049 9.983 ( 0.000 3.261 0.000) 3.261 10.028 ( 0.000 -3.442 0.000) 3.442 10.383 ( 0.000 -4.046 0.000) 4.046 10.769 ( 0.000 4.342 0.000) 4.342 11.149 ( 0.000 -17.837 0.000) 17.837 11.177 ( 0.000 14.108 0.000) 14.108 11.649 ( 0.000 -2.950 0.000) 2.950 11.712 ( 0.000 -13.858 0.000) 13.858 13.207 ( 0.000 0.870 0.000) 0.870 13.574 ( 0.000 -0.678 0.000) 0.678 13.938 ( 0.000 -4.750 0.000) 4.750 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 6.445 18.452 0.000) 19.546 1.434 ( 6.118 20.875 0.000) 21.753 1.984 ( 7.481 8.709 0.000) 11.481 2.194 ( 2.171 2.898 0.000) 3.621 2.259 ( 1.713 10.133 0.000) 10.277 2.326 ( -1.068 9.350 0.000) 9.411 2.474 ( 8.603 15.184 0.000) 17.452 2.740 ( -3.722 5.551 0.000) 6.683 2.757 ( -2.318 4.190 0.000) 4.788 2.880 ( -2.258 -3.257 0.000) 3.964 2.946 ( -0.120 12.974 0.000) 12.974 3.151 ( -4.270 14.488 0.000) 15.104 3.246 ( 1.358 16.229 0.000) 16.286 3.264 ( -3.745 7.355 0.000) 8.254 3.503 ( -9.065 4.789 0.000) 10.252 3.515 ( 5.563 3.480 0.000) 6.562 3.610 ( 0.989 7.035 0.000) 7.105 3.675 ( -6.616 9.351 0.000) 11.454 3.916 ( 5.828 0.784 0.000) 5.880 4.070 ( 4.581 8.269 0.000) 9.453 4.131 ( 1.581 11.159 0.000) 11.271 4.452 ( 1.671 -4.650 0.000) 4.941 4.497 ( -5.035 -6.476 0.000) 8.203 4.969 ( -3.278 -7.302 0.000) 8.004 6.023 ( 5.932 -2.773 0.000) 6.548 6.238 ( 1.321 3.689 0.000) 3.918 6.579 ( 6.798 -6.914 0.000) 9.696 6.841 ( 5.007 13.155 0.000) 14.076 6.847 ( 4.883 9.555 0.000) 10.730 7.166 ( 13.257 3.760 0.000) 13.780 7.233 ( 12.731 4.987 0.000) 13.673 7.657 ( 2.743 12.428 0.000) 12.727 8.086 ( -5.874 4.534 0.000) 7.420 8.486 ( 5.608 -0.318 0.000) 5.617 8.603 ( 2.206 3.105 0.000) 3.809 8.683 ( -0.198 -8.321 0.000) 8.323 9.212 ( 17.249 1.356 0.000) 17.302 9.949 ( -4.557 1.983 0.000) 4.970 9.989 ( -3.582 -4.019 0.000) 5.384 10.425 ( 6.037 -3.913 0.000) 7.195 10.716 ( -5.300 0.467 0.000) 5.320 11.149 ( 0.020 -14.017 0.000) 14.017 11.239 ( 3.766 6.873 0.000) 7.837 11.628 ( 0.265 2.488 0.000) 2.503 11.697 ( -1.505 -12.313 0.000) 12.405 13.128 ( -6.855 3.011 0.000) 7.487 13.534 ( -4.020 -0.418 0.000) 4.041 13.869 ( -6.738 -3.900 0.000) 7.785 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 11.212 12.866 0.000) 17.066 1.607 ( 10.613 17.902 0.000) 20.811 2.157 ( 9.200 4.666 0.000) 10.315 2.249 ( 2.851 2.392 0.000) 3.721 2.312 ( 0.034 7.468 0.000) 7.468 2.341 ( 5.096 5.514 0.000) 7.508 2.545 ( -4.450 5.470 0.000) 7.052 2.703 ( 1.496 5.534 0.000) 5.732 2.723 ( -0.628 2.565 0.000) 2.641 2.814 ( -4.415 -0.286 0.000) 4.424 2.963 ( -0.325 11.865 0.000) 11.869 3.030 ( -7.026 10.472 0.000) 12.611 3.205 ( -6.469 13.111 0.000) 14.620 3.214 ( 2.550 16.315 0.000) 16.513 3.298 ( -10.160 1.722 0.000) 10.305 3.564 ( -0.803 9.587 0.000) 9.621 3.638 ( 1.288 9.177 0.000) 9.267 3.683 ( 8.250 1.949 0.000) 8.477 4.030 ( 4.944 2.334 0.000) 5.467 4.171 ( 2.243 10.778 0.000) 11.009 4.188 ( 6.631 6.884 0.000) 9.559 4.339 ( -9.390 -3.365 0.000) 9.975 4.477 ( -0.380 0.397 0.000) 0.550 4.868 ( -6.530 -5.827 0.000) 8.752 6.139 ( 4.667 -0.471 0.000) 4.691 6.249 ( -0.422 1.941 0.000) 1.987 6.746 ( 8.914 -4.961 0.000) 10.201 6.965 ( 6.331 14.448 0.000) 15.774 6.994 ( 8.780 9.062 0.000) 12.618 7.286 ( -2.212 6.445 0.000) 6.814 7.509 ( 14.856 7.389 0.000) 16.592 7.957 ( -6.103 4.145 0.000) 7.377 7.961 ( 22.987 5.997 0.000) 23.756 8.602 ( 3.941 -0.566 0.000) 3.982 8.661 ( 3.269 0.502 0.000) 3.308 8.687 ( 1.853 -8.772 0.000) 8.966 9.644 ( 21.952 2.961 0.000) 22.151 9.827 ( -4.795 -4.444 0.000) 6.538 9.902 ( -4.253 -4.568 0.000) 6.241 10.558 ( -9.854 -6.996 0.000) 12.085 10.611 ( 9.366 -1.687 0.000) 9.517 11.143 ( -1.020 -6.075 0.000) 6.160 11.250 ( -0.642 -8.549 0.000) 8.573 11.649 ( -3.206 -8.988 0.000) 9.543 11.782 ( 15.199 12.733 0.000) 19.827 12.985 ( -5.775 4.878 0.000) 7.559 13.402 ( -9.211 0.219 0.000) 9.214 13.668 ( -12.778 -2.054 0.000) 12.942 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 12.938 14.388 0.000) 19.350 1.862 ( 14.001 7.647 0.000) 15.953 2.275 ( -1.521 2.580 0.000) 2.995 2.318 ( 0.037 4.448 0.000) 4.448 2.340 ( 2.655 4.897 0.000) 5.570 2.407 ( -3.203 5.038 0.000) 5.970 2.429 ( 4.727 4.294 0.000) 6.386 2.684 ( -6.488 3.782 0.000) 7.509 2.728 ( 0.414 1.612 0.000) 1.664 2.746 ( 1.691 1.065 0.000) 1.999 2.870 ( -6.064 5.714 0.000) 8.332 2.889 ( -7.206 5.980 0.000) 9.364 3.039 ( -7.058 6.593 0.000) 9.658 3.106 ( -8.041 -0.244 0.000) 8.044 3.428 ( 14.800 20.446 0.000) 25.240 3.590 ( 2.303 9.953 0.000) 10.216 3.654 ( 0.193 9.912 0.000) 9.914 3.834 ( 4.345 5.096 0.000) 6.697 4.099 ( 1.360 2.595 0.000) 2.930 4.137 ( -8.862 0.554 0.000) 8.880 4.227 ( 3.562 10.517 0.000) 11.104 4.320 ( 5.193 5.757 0.000) 7.753 4.450 ( -0.912 3.330 0.000) 3.452 4.712 ( -8.446 -3.635 0.000) 9.195 6.200 ( 1.408 0.341 0.000) 1.449 6.230 ( -1.097 0.433 0.000) 1.180 6.921 ( 7.902 -0.677 0.000) 7.931 7.060 ( 2.427 12.845 0.000) 13.072 7.158 ( 5.903 8.291 0.000) 10.178 7.237 ( -1.577 6.936 0.000) 7.113 7.759 ( 8.867 9.783 0.000) 13.204 7.868 ( -2.059 5.574 0.000) 5.942 8.363 ( 14.082 1.839 0.000) 14.202 8.601 ( -2.375 -4.253 0.000) 4.872 8.722 ( 2.616 -2.366 0.000) 3.527 8.769 ( 3.515 -5.345 0.000) 6.397 9.804 ( 4.739 -9.046 0.000) 10.212 9.852 ( 0.199 -3.053 0.000) 3.059 9.999 ( 8.478 3.710 0.000) 9.254 10.329 ( -12.243 -12.396 0.000) 17.423 10.747 ( 6.313 -2.566 0.000) 6.815 11.085 ( -5.233 0.426 0.000) 5.250 11.330 ( 7.790 -6.346 0.000) 10.047 11.574 ( -4.005 -5.702 0.000) 6.968 12.195 ( 24.101 8.588 0.000) 25.586 12.942 ( 2.421 3.181 0.000) 3.997 13.141 ( -17.046 1.252 0.000) 17.092 13.371 ( -15.368 -0.451 0.000) 15.375 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -9.906 9.046 0.000) 13.415 2.114 ( 9.906 9.046 0.000) 13.415 2.141 ( -8.860 6.342 0.000) 10.895 2.141 ( 8.860 6.342 0.000) 10.895 2.393 ( -1.953 3.033 0.000) 3.607 2.393 ( 1.953 3.033 0.000) 3.607 2.578 ( -5.621 3.795 0.000) 6.783 2.578 ( 5.621 3.795 0.000) 6.783 2.740 ( -3.991 1.692 0.000) 4.335 2.740 ( 3.991 1.692 0.000) 4.335 2.794 ( -2.138 4.195 0.000) 4.708 2.794 ( 2.138 4.195 0.000) 4.708 2.992 ( -2.319 1.643 0.000) 2.842 2.992 ( 2.319 1.643 0.000) 2.842 3.629 ( -0.744 10.462 0.000) 10.488 3.629 ( 0.744 10.462 0.000) 10.488 3.737 ( -11.998 12.399 0.000) 17.253 3.737 ( 11.998 12.399 0.000) 17.253 4.084 ( -1.934 1.954 0.000) 2.749 4.084 ( 1.934 1.954 0.000) 2.749 4.312 ( -4.096 8.888 0.000) 9.786 4.312 ( 4.096 8.888 0.000) 9.786 4.539 ( -8.013 -0.501 0.000) 8.028 4.539 ( 8.013 -0.501 0.000) 8.028 6.214 ( -0.481 0.034 0.000) 0.482 6.214 ( 0.481 0.034 0.000) 0.482 7.047 ( -3.817 6.500 0.000) 7.537 7.047 ( 3.817 6.500 0.000) 7.537 7.218 ( -0.922 7.202 0.000) 7.261 7.218 ( 0.922 7.202 0.000) 7.261 7.855 ( -1.046 9.633 0.000) 9.690 7.855 ( 1.046 9.633 0.000) 9.690 8.534 ( -4.434 -4.231 0.000) 6.129 8.534 ( 4.434 -4.231 0.000) 6.129 8.778 ( -2.317 -3.183 0.000) 3.937 8.778 ( 2.317 -3.183 0.000) 3.937 9.895 ( -0.915 -2.003 0.000) 2.202 9.895 ( 0.915 -2.003 0.000) 2.202 10.096 ( -8.322 -10.933 0.000) 13.740 10.096 ( 8.322 -10.933 0.000) 13.740 10.926 ( -9.765 1.322 0.000) 9.854 10.926 ( 9.765 1.322 0.000) 9.854 11.479 ( -5.853 -3.636 0.000) 6.890 11.479 ( 5.853 -3.636 0.000) 6.890 12.707 ( -24.676 3.621 0.000) 24.940 12.707 ( 24.676 3.621 0.000) 24.940 13.089 ( -11.424 0.824 0.000) 11.453 13.089 ( 11.423 0.824 0.000) 11.453 ======================= Grid point 36 (21/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 18.588 0.000) 18.588 1.779 ( 0.000 19.788 0.000) 19.788 2.119 ( 0.000 11.903 0.000) 11.903 2.234 ( 0.000 3.597 0.000) 3.597 2.425 ( 0.000 5.999 0.000) 5.999 2.554 ( 0.000 11.444 0.000) 11.444 2.579 ( 0.000 4.883 0.000) 4.883 2.822 ( 0.000 -3.657 0.000) 3.657 2.889 ( 0.000 5.387 0.000) 5.387 2.894 ( 0.000 5.859 0.000) 5.859 3.142 ( 0.000 3.999 0.000) 3.999 3.430 ( 0.000 9.042 0.000) 9.042 3.432 ( 0.000 1.965 0.000) 1.965 3.492 ( 0.000 8.187 0.000) 8.187 3.515 ( 0.000 13.075 0.000) 13.075 3.694 ( 0.000 -0.517 0.000) 0.517 3.795 ( 0.000 10.723 0.000) 10.723 3.832 ( 0.000 3.318 0.000) 3.318 4.025 ( 0.000 13.395 0.000) 13.395 4.210 ( 0.000 3.851 0.000) 3.851 4.259 ( 0.000 -2.347 0.000) 2.347 4.380 ( 0.000 15.238 0.000) 15.238 4.395 ( 0.000 -8.899 0.000) 8.899 4.861 ( 0.000 -5.599 0.000) 5.599 5.881 ( 0.000 -2.990 0.000) 2.990 6.354 ( 0.000 9.603 0.000) 9.603 6.355 ( 0.000 -7.541 0.000) 7.541 6.994 ( 0.000 9.673 0.000) 9.673 7.013 ( 0.000 10.755 0.000) 10.755 7.083 ( 0.000 3.817 0.000) 3.817 7.157 ( 0.000 4.009 0.000) 4.009 7.946 ( 0.000 14.250 0.000) 14.250 8.262 ( 0.000 5.547 0.000) 5.547 8.365 ( 0.000 -5.324 0.000) 5.324 8.577 ( 0.000 -3.037 0.000) 3.037 8.630 ( 0.000 2.032 0.000) 2.032 9.126 ( 0.000 7.091 0.000) 7.091 9.785 ( 0.000 -20.061 0.000) 20.061 10.037 ( 0.000 1.593 0.000) 1.593 10.310 ( 0.000 -2.950 0.000) 2.950 10.441 ( 0.000 -28.306 0.000) 28.306 11.143 ( 0.000 -11.783 0.000) 11.783 11.155 ( 0.000 9.173 0.000) 9.173 11.546 ( 0.000 -3.515 0.000) 3.515 11.862 ( 0.000 18.859 0.000) 18.859 13.189 ( 0.000 -2.891 0.000) 2.891 13.568 ( 0.000 0.153 0.000) 0.153 13.842 ( 0.000 -4.934 0.000) 4.934 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 2.763 16.944 0.000) 17.168 1.825 ( 4.409 19.050 0.000) 19.554 2.166 ( 3.611 9.835 0.000) 10.477 2.252 ( 1.665 3.290 0.000) 3.687 2.404 ( -0.618 5.425 0.000) 5.461 2.525 ( -2.556 10.713 0.000) 11.014 2.625 ( 2.768 3.173 0.000) 4.210 2.799 ( -2.001 -3.798 0.000) 4.293 2.847 ( -3.551 5.268 0.000) 6.353 2.848 ( -3.424 4.476 0.000) 5.635 3.146 ( -0.849 2.718 0.000) 2.848 3.403 ( -6.553 10.698 0.000) 12.546 3.419 ( -1.635 8.476 0.000) 8.632 3.479 ( 2.457 2.032 0.000) 3.188 3.576 ( 3.842 8.281 0.000) 9.129 3.580 ( -6.771 5.068 0.000) 8.458 3.777 ( 1.613 8.619 0.000) 8.768 3.831 ( -11.427 5.282 0.000) 12.589 3.965 ( 6.940 3.973 0.000) 7.997 4.265 ( 3.537 9.816 0.000) 10.434 4.368 ( -2.152 -5.641 0.000) 6.037 4.393 ( 1.181 14.951 0.000) 14.998 4.396 ( 8.362 -0.100 0.000) 8.363 4.844 ( -1.877 -4.619 0.000) 4.985 5.976 ( 8.139 -1.885 0.000) 8.355 6.356 ( -0.209 8.488 0.000) 8.491 6.445 ( 7.877 -6.899 0.000) 10.471 7.029 ( 3.986 8.781 0.000) 9.644 7.088 ( 6.456 11.821 0.000) 13.469 7.237 ( 13.175 3.638 0.000) 13.668 7.329 ( 14.744 4.421 0.000) 15.392 7.910 ( -0.939 13.432 0.000) 13.465 8.170 ( -6.551 3.434 0.000) 7.396 8.438 ( 5.068 -3.846 0.000) 6.362 8.576 ( -0.229 -3.208 0.000) 3.217 8.658 ( 2.159 2.500 0.000) 3.303 9.275 ( 14.887 4.957 0.000) 15.691 9.757 ( -2.425 -18.281 0.000) 18.441 9.993 ( -7.699 2.260 0.000) 8.024 10.335 ( 6.567 -5.159 0.000) 8.352 10.376 ( -6.209 -27.199 0.000) 27.899 11.088 ( -5.942 -14.402 0.000) 15.579 11.167 ( 1.093 8.281 0.000) 8.353 11.551 ( 0.188 -3.231 0.000) 3.236 11.925 ( 6.487 19.801 0.000) 20.837 13.145 ( -4.001 -1.268 0.000) 4.197 13.533 ( -3.607 0.329 0.000) 3.622 13.788 ( -5.333 -4.248 0.000) 6.818 ======================= Grid point 38 (23/120) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 5.771 12.716 0.000) 13.964 1.952 ( 7.828 16.956 0.000) 18.676 2.247 ( 4.817 4.686 0.000) 6.720 2.293 ( 2.089 2.534 0.000) 3.284 2.424 ( 2.158 3.302 0.000) 3.944 2.470 ( -2.365 8.592 0.000) 8.911 2.635 ( -2.429 3.388 0.000) 4.169 2.752 ( -2.446 -3.475 0.000) 4.250 2.779 ( -2.930 1.853 0.000) 3.467 2.787 ( -1.977 3.794 0.000) 4.279 3.076 ( -5.674 1.381 0.000) 5.839 3.214 ( -11.120 7.349 0.000) 13.329 3.280 ( -9.969 0.142 0.000) 9.970 3.403 ( -12.155 6.313 0.000) 13.697 3.603 ( 7.413 17.210 0.000) 18.738 3.633 ( 4.435 -3.390 0.000) 5.583 3.784 ( 5.852 9.483 0.000) 11.143 3.816 ( 1.630 8.308 0.000) 8.467 4.087 ( 4.785 3.047 0.000) 5.673 4.276 ( -4.142 -2.171 0.000) 4.677 4.379 ( 4.854 11.094 0.000) 12.110 4.425 ( 1.964 14.427 0.000) 14.560 4.528 ( 4.199 4.792 0.000) 6.371 4.783 ( -3.942 -1.683 0.000) 4.287 6.146 ( 7.196 1.002 0.000) 7.266 6.332 ( -2.073 6.558 0.000) 6.878 6.639 ( 10.627 -5.872 0.000) 12.142 7.149 ( 6.761 6.392 0.000) 9.304 7.235 ( 6.960 12.966 0.000) 14.716 7.417 ( 0.604 6.858 0.000) 6.885 7.648 ( 16.213 6.606 0.000) 17.507 8.038 ( -5.534 3.781 0.000) 6.703 8.087 ( 18.256 7.181 0.000) 19.617 8.537 ( 1.338 -6.367 0.000) 6.506 8.579 ( 3.709 -1.802 0.000) 4.124 8.697 ( 1.586 2.774 0.000) 3.196 9.702 ( 21.875 1.768 0.000) 21.946 9.710 ( -1.526 -13.738 0.000) 13.823 9.760 ( -9.315 -0.987 0.000) 9.367 10.204 ( -10.228 -24.442 0.000) 26.496 10.552 ( 9.741 -4.220 0.000) 10.615 10.948 ( -3.250 -18.707 0.000) 18.987 11.189 ( 0.552 6.499 0.000) 6.523 11.540 ( -1.560 -2.846 0.000) 3.246 12.122 ( 12.463 18.299 0.000) 22.140 13.050 ( -4.457 1.605 0.000) 4.737 13.412 ( -8.525 0.801 0.000) 8.563 13.624 ( -10.717 -2.433 0.000) 10.990 ======================= Grid point 39 (24/120) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 8.949 6.919 0.000) 11.312 2.130 ( 9.048 13.034 0.000) 15.867 2.317 ( -0.431 2.694 0.000) 2.728 2.368 ( 5.865 1.018 0.000) 5.953 2.442 ( -0.276 5.542 0.000) 5.549 2.473 ( 2.369 1.741 0.000) 2.939 2.541 ( -5.346 6.767 0.000) 8.624 2.691 ( -4.153 -3.117 0.000) 5.193 2.739 ( -0.722 0.065 0.000) 0.725 2.749 ( -2.204 0.735 0.000) 2.323 2.951 ( -5.604 2.746 0.000) 6.240 2.996 ( -9.063 4.462 0.000) 10.102 3.099 ( -6.939 0.185 0.000) 6.942 3.142 ( -11.108 3.270 0.000) 11.579 3.731 ( 4.451 2.063 0.000) 4.905 3.790 ( 9.793 14.751 0.000) 17.706 3.831 ( -0.190 7.969 0.000) 7.972 3.928 ( 6.973 6.201 0.000) 9.331 4.143 ( 0.297 1.504 0.000) 1.533 4.168 ( -6.005 2.713 0.000) 6.589 4.473 ( 2.792 13.793 0.000) 14.073 4.488 ( 5.332 10.474 0.000) 11.753 4.567 ( -0.121 8.495 0.000) 8.496 4.692 ( -4.775 2.816 0.000) 5.543 6.241 ( 2.225 3.638 0.000) 4.264 6.287 ( -1.956 5.272 0.000) 5.623 6.867 ( 11.557 -4.338 0.000) 12.344 7.218 ( -1.712 2.734 0.000) 3.226 7.349 ( 3.852 11.339 0.000) 11.976 7.386 ( -1.166 8.240 0.000) 8.322 7.942 ( 11.508 8.579 0.000) 14.354 7.995 ( 2.123 7.103 0.000) 7.413 8.394 ( 6.951 1.044 0.000) 7.029 8.490 ( -3.792 -6.604 0.000) 7.615 8.708 ( 6.084 -0.941 0.000) 6.157 8.740 ( 3.128 4.310 0.000) 5.325 9.590 ( -1.488 -11.326 0.000) 11.424 9.723 ( 2.942 -9.371 0.000) 9.822 9.984 ( -10.308 -20.352 0.000) 22.813 10.081 ( 3.790 3.490 0.000) 5.153 10.649 ( 9.614 -7.524 0.000) 12.208 11.121 ( 14.887 -12.678 0.000) 19.554 11.155 ( -4.967 4.786 0.000) 6.898 11.485 ( -3.765 -3.690 0.000) 5.272 12.423 ( 17.076 12.930 0.000) 21.419 13.007 ( 1.242 2.876 0.000) 3.133 13.173 ( -15.281 1.930 0.000) 15.402 13.370 ( -13.425 0.045 0.000) 13.425 ======================= Grid point 40 (25/120) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -7.150 1.891 0.000) 7.396 2.186 ( 7.150 1.891 0.000) 7.396 2.355 ( -7.180 11.745 0.000) 13.766 2.355 ( 7.180 11.745 0.000) 13.766 2.446 ( -0.125 2.337 0.000) 2.340 2.446 ( 0.125 2.337 0.000) 2.340 2.595 ( -5.318 -1.637 0.000) 5.564 2.595 ( 5.318 -1.637 0.000) 5.564 2.724 ( -0.761 -0.949 0.000) 1.217 2.724 ( 0.761 -0.949 0.000) 1.217 2.886 ( -0.459 3.937 0.000) 3.964 2.886 ( 0.459 3.937 0.000) 3.964 3.024 ( -0.277 1.535 0.000) 1.560 3.024 ( 0.277 1.535 0.000) 1.560 3.803 ( -2.503 5.601 0.000) 6.135 3.803 ( 2.503 5.601 0.000) 6.135 3.969 ( -6.146 10.585 0.000) 12.240 3.969 ( 6.146 10.585 0.000) 12.240 4.105 ( -2.533 1.135 0.000) 2.776 4.105 ( 2.533 1.135 0.000) 2.776 4.533 ( -2.620 12.448 0.000) 12.721 4.533 ( 2.620 12.448 0.000) 12.721 4.594 ( -4.845 6.875 0.000) 8.411 4.594 ( 4.845 6.875 0.000) 8.411 6.262 ( -0.597 4.664 0.000) 4.702 6.262 ( 0.597 4.664 0.000) 4.702 7.090 ( -9.661 -1.402 0.000) 9.762 7.090 ( 9.661 -1.402 0.000) 9.762 7.382 ( -0.008 9.058 0.000) 9.058 7.382 ( 0.008 9.058 0.000) 9.058 8.063 ( -0.748 11.530 0.000) 11.554 8.063 ( 0.748 11.530 0.000) 11.554 8.426 ( -1.128 -6.932 0.000) 7.023 8.426 ( 1.128 -6.932 0.000) 7.023 8.780 ( -0.541 3.465 0.000) 3.507 8.780 ( 0.541 3.465 0.000) 3.507 9.688 ( -8.177 -16.153 0.000) 18.105 9.688 ( 8.177 -16.153 0.000) 18.105 9.951 ( -8.710 -5.743 0.000) 10.433 9.951 ( 8.710 -5.743 0.000) 10.433 10.956 ( -14.561 1.151 0.000) 14.607 10.956 ( 14.561 1.151 0.000) 14.607 11.370 ( -8.466 -6.908 0.000) 10.927 11.370 ( 8.466 -6.908 0.000) 10.927 12.806 ( -19.662 5.983 0.000) 20.552 12.806 ( 19.662 5.983 0.000) 20.552 13.122 ( -9.792 2.039 0.000) 10.003 13.122 ( 9.792 2.039 0.000) 10.003 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 16.142 0.000) 16.142 2.137 ( 0.000 16.758 0.000) 16.758 2.314 ( 0.000 4.634 0.000) 4.634 2.349 ( 0.000 11.268 0.000) 11.268 2.519 ( 0.000 3.782 0.000) 3.782 2.631 ( 0.000 1.720 0.000) 1.720 2.700 ( 0.000 -0.055 0.000) 0.055 2.846 ( 0.000 9.525 0.000) 9.525 2.979 ( 0.000 2.862 0.000) 2.862 2.993 ( 0.000 3.756 0.000) 3.756 3.094 ( 0.000 -6.420 0.000) 6.420 3.388 ( 0.000 -2.817 0.000) 2.817 3.618 ( 0.000 7.770 0.000) 7.770 3.640 ( 0.000 -3.251 0.000) 3.251 3.670 ( 0.000 6.993 0.000) 6.993 3.722 ( 0.000 8.165 0.000) 8.165 3.906 ( 0.000 3.496 0.000) 3.496 3.974 ( 0.000 5.780 0.000) 5.780 4.050 ( 0.000 -8.912 0.000) 8.912 4.205 ( 0.000 -9.066 0.000) 9.066 4.274 ( 0.000 10.301 0.000) 10.301 4.430 ( 0.000 8.541 0.000) 8.541 4.670 ( 0.000 13.624 0.000) 13.624 4.819 ( 0.000 1.797 0.000) 1.797 5.841 ( 0.000 -0.843 0.000) 0.843 6.206 ( 0.000 -7.794 0.000) 7.794 6.598 ( 0.000 15.409 0.000) 15.409 7.152 ( 0.000 3.197 0.000) 3.197 7.172 ( 0.000 8.409 0.000) 8.409 7.190 ( 0.000 7.176 0.000) 7.176 7.219 ( 0.000 2.236 0.000) 2.236 8.214 ( 0.000 12.986 0.000) 12.986 8.239 ( 0.000 -8.002 0.000) 8.002 8.366 ( 0.000 4.892 0.000) 4.892 8.509 ( 0.000 -4.704 0.000) 4.704 8.659 ( 0.000 0.865 0.000) 0.865 9.294 ( 0.000 9.935 0.000) 9.935 9.358 ( 0.000 -20.241 0.000) 20.241 9.880 ( 0.000 -27.689 0.000) 27.689 10.018 ( 0.000 -3.766 0.000) 3.766 10.289 ( 0.000 0.958 0.000) 0.958 10.884 ( 0.000 -13.526 0.000) 13.526 11.320 ( 0.000 7.193 0.000) 7.193 11.526 ( 0.000 0.250 0.000) 0.250 12.220 ( 0.000 16.869 0.000) 16.869 13.095 ( 0.000 -6.589 0.000) 6.589 13.578 ( 0.000 0.841 0.000) 0.841 13.751 ( 0.000 -4.274 0.000) 4.274 ======================= Grid point 46 (27/120) ======================= q-point: ( 0.12 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.089 14.665 0.000) 14.665 2.164 ( 2.581 15.157 0.000) 15.376 2.331 ( 1.591 5.167 0.000) 5.406 2.360 ( 0.046 9.775 0.000) 9.775 2.488 ( -1.737 3.484 0.000) 3.893 2.657 ( 1.555 0.735 0.000) 1.720 2.678 ( -1.888 0.433 0.000) 1.937 2.789 ( -4.929 7.505 0.000) 8.979 2.924 ( -4.251 1.731 0.000) 4.590 2.934 ( -4.325 3.713 0.000) 5.700 3.114 ( -0.341 -3.608 0.000) 3.624 3.420 ( 3.528 -4.979 0.000) 6.103 3.497 ( -8.453 1.170 0.000) 8.534 3.554 ( -9.958 4.433 0.000) 10.901 3.710 ( 4.654 5.814 0.000) 7.447 3.725 ( -7.121 2.975 0.000) 7.717 3.886 ( -2.962 2.735 0.000) 4.032 3.915 ( 1.486 5.181 0.000) 5.390 4.038 ( 4.527 2.309 0.000) 5.082 4.225 ( 1.474 -5.977 0.000) 6.156 4.452 ( 9.867 6.133 0.000) 11.618 4.489 ( 5.780 8.548 0.000) 10.319 4.675 ( 0.577 13.143 0.000) 13.155 4.828 ( 0.666 3.442 0.000) 3.506 5.955 ( 9.911 -0.125 0.000) 9.911 6.308 ( 8.886 -7.204 0.000) 11.439 6.570 ( -2.564 13.390 0.000) 13.634 7.174 ( 1.578 5.712 0.000) 5.926 7.295 ( 8.091 9.435 0.000) 12.429 7.307 ( 13.742 3.476 0.000) 14.174 7.396 ( 15.747 2.361 0.000) 15.923 8.173 ( -2.322 13.331 0.000) 13.532 8.177 ( -4.960 -3.971 0.000) 6.354 8.404 ( 2.959 0.826 0.000) 3.072 8.506 ( -0.149 -4.153 0.000) 4.156 8.695 ( 2.894 1.003 0.000) 3.063 9.375 ( 1.713 -18.048 0.000) 18.129 9.401 ( 11.287 7.873 0.000) 13.761 9.839 ( -3.984 -26.338 0.000) 26.638 10.024 ( -6.429 0.321 0.000) 6.437 10.236 ( 2.863 -4.325 0.000) 5.187 10.796 ( -8.763 -14.774 0.000) 17.177 11.320 ( -0.097 6.740 0.000) 6.741 11.528 ( -0.074 -0.129 0.000) 0.149 12.284 ( 5.946 16.422 0.000) 17.465 13.081 ( -1.402 -5.166 0.000) 5.353 13.545 ( -3.406 0.882 0.000) 3.519 13.708 ( -4.276 -3.838 0.000) 5.746 ======================= Grid point 47 (28/120) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 1.407 11.291 0.000) 11.379 2.230 ( 3.335 9.641 0.000) 10.202 2.339 ( -0.811 4.650 0.000) 4.720 2.377 ( 2.986 7.421 0.000) 7.999 2.481 ( 0.747 2.757 0.000) 2.857 2.630 ( -2.992 4.920 0.000) 5.758 2.669 ( -0.558 0.201 0.000) 0.594 2.680 ( -4.810 0.240 0.000) 4.816 2.829 ( -5.096 2.592 0.000) 5.717 2.846 ( -3.702 1.808 0.000) 4.120 3.063 ( -4.150 -2.157 0.000) 4.677 3.308 ( -13.033 2.621 0.000) 13.294 3.312 ( -9.089 3.714 0.000) 9.819 3.442 ( -15.191 -2.616 0.000) 15.415 3.530 ( 6.214 -5.747 0.000) 8.464 3.822 ( 5.445 4.219 0.000) 6.888 3.955 ( 2.273 6.340 0.000) 6.735 3.966 ( 5.991 8.524 0.000) 10.418 4.124 ( 3.517 0.635 0.000) 3.574 4.246 ( 0.248 -0.988 0.000) 1.019 4.589 ( 5.698 9.553 0.000) 11.123 4.650 ( 7.137 7.058 0.000) 10.037 4.696 ( 1.486 12.801 0.000) 12.887 4.837 ( 0.114 6.758 0.000) 6.759 6.175 ( 10.206 2.017 0.000) 10.403 6.501 ( -3.874 10.636 0.000) 11.320 6.521 ( 11.482 -6.123 0.000) 13.013 7.222 ( 2.039 0.572 0.000) 2.118 7.464 ( 7.176 10.522 0.000) 12.736 7.550 ( 5.122 6.658 0.000) 8.400 7.750 ( 17.292 3.561 0.000) 17.655 8.082 ( -3.071 -0.176 0.000) 3.076 8.249 ( 11.603 9.550 0.000) 15.028 8.443 ( -0.675 -3.088 0.000) 3.161 8.549 ( 6.104 -0.593 0.000) 6.133 8.752 ( 2.818 2.241 0.000) 3.601 9.431 ( 3.830 -13.416 0.000) 13.952 9.684 ( -6.997 -0.925 0.000) 7.058 9.727 ( -6.610 -22.900 0.000) 23.835 9.827 ( 14.352 5.548 0.000) 15.387 10.448 ( 7.192 -6.389 0.000) 9.620 10.578 ( -4.129 -18.543 0.000) 18.998 11.310 ( -1.299 5.314 0.000) 5.470 11.508 ( -2.352 -1.054 0.000) 2.578 12.443 ( 9.307 14.320 0.000) 17.079 13.045 ( -1.747 -2.128 0.000) 2.753 13.431 ( -8.043 1.083 0.000) 8.115 13.575 ( -8.784 -2.566 0.000) 9.151 ======================= Grid point 48 (29/120) ======================= q-point: ( 0.38 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 3.259 6.506 0.000) 7.277 2.270 ( -0.128 2.355 0.000) 2.358 2.371 ( 4.018 -0.435 0.000) 4.041 2.451 ( 4.035 8.558 0.000) 9.461 2.503 ( 1.213 1.612 0.000) 2.018 2.561 ( -2.998 7.152 0.000) 7.755 2.604 ( -3.418 -4.621 0.000) 5.748 2.635 ( -2.702 1.902 0.000) 3.304 2.753 ( -2.164 1.551 0.000) 2.662 2.772 ( -3.251 1.981 0.000) 3.807 2.977 ( -3.527 -0.354 0.000) 3.545 3.066 ( -9.557 3.026 0.000) 10.024 3.145 ( -6.880 5.433 0.000) 8.767 3.166 ( -10.538 -0.472 0.000) 10.549 3.669 ( 6.835 -6.772 0.000) 9.622 3.869 ( -1.378 -2.881 0.000) 3.194 4.036 ( 5.670 8.850 0.000) 10.511 4.079 ( 4.719 7.806 0.000) 9.121 4.171 ( 0.910 2.034 0.000) 2.228 4.226 ( -2.209 2.875 0.000) 3.626 4.693 ( 4.236 10.003 0.000) 10.863 4.731 ( 1.642 12.282 0.000) 12.392 4.754 ( 3.253 9.569 0.000) 10.107 4.830 ( -0.947 9.662 0.000) 9.708 6.330 ( 4.675 5.173 0.000) 6.972 6.429 ( -2.920 9.075 0.000) 9.534 6.768 ( 12.649 -5.565 0.000) 13.819 7.198 ( -5.277 -4.407 0.000) 6.875 7.555 ( -1.131 9.108 0.000) 9.178 7.556 ( 1.752 9.570 0.000) 9.729 8.062 ( 12.769 2.598 0.000) 13.031 8.106 ( 6.085 2.051 0.000) 6.422 8.390 ( -4.131 -1.178 0.000) 4.296 8.433 ( 0.471 4.325 0.000) 4.351 8.727 ( 10.059 2.534 0.000) 10.373 8.862 ( 8.045 6.645 0.000) 10.434 9.395 ( -10.941 -7.538 0.000) 13.286 9.501 ( -1.548 -13.520 0.000) 13.608 9.620 ( 1.248 -15.219 0.000) 15.270 10.097 ( -10.552 -3.671 0.000) 11.172 10.485 ( 23.329 -6.836 0.000) 24.310 10.893 ( 19.472 -10.323 0.000) 22.039 11.235 ( -7.262 3.218 0.000) 7.943 11.421 ( -6.359 -3.039 0.000) 7.047 12.655 ( 11.616 10.435 0.000) 15.614 13.039 ( 2.087 0.267 0.000) 2.104 13.213 ( -13.232 2.133 0.000) 13.403 13.364 ( -11.281 -0.736 0.000) 11.305 ======================= Grid point 49 (30/120) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -4.344 1.685 0.000) 4.660 2.218 ( 4.344 1.685 0.000) 4.660 2.471 ( -4.345 -0.563 0.000) 4.381 2.471 ( 4.345 -0.563 0.000) 4.381 2.527 ( -0.846 1.233 0.000) 1.495 2.527 ( 0.846 1.233 0.000) 1.495 2.571 ( -2.458 3.783 0.000) 4.511 2.571 ( 2.458 3.783 0.000) 4.511 2.734 ( -0.287 2.611 0.000) 2.627 2.734 ( 0.287 2.611 0.000) 2.627 2.951 ( -1.746 2.553 0.000) 3.093 2.951 ( 1.746 2.553 0.000) 3.093 3.059 ( -0.414 3.022 0.000) 3.050 3.059 ( 0.414 3.022 0.000) 3.050 3.795 ( -5.295 -5.713 0.000) 7.789 3.795 ( 5.295 -5.713 0.000) 7.789 4.137 ( -1.584 6.873 0.000) 7.054 4.137 ( 1.584 6.873 0.000) 7.054 4.168 ( -0.990 4.620 0.000) 4.725 4.168 ( 0.990 4.620 0.000) 4.725 4.747 ( -0.655 10.380 0.000) 10.401 4.747 ( 0.655 10.380 0.000) 10.401 4.799 ( -1.807 11.380 0.000) 11.522 4.799 ( 1.807 11.380 0.000) 11.522 6.385 ( -1.694 7.703 0.000) 7.887 6.385 ( 1.694 7.703 0.000) 7.887 7.019 ( -11.402 -5.450 0.000) 12.638 7.019 ( 11.402 -5.450 0.000) 12.638 7.556 ( -0.838 8.719 0.000) 8.759 7.556 ( 0.838 8.719 0.000) 8.759 8.264 ( -5.147 -6.435 0.000) 8.240 8.264 ( 5.147 -6.435 0.000) 8.240 8.303 ( -7.916 10.002 0.000) 12.755 8.303 ( 7.916 10.002 0.000) 12.755 8.902 ( -5.529 8.617 0.000) 10.238 8.902 ( 5.529 8.617 0.000) 10.238 9.365 ( -6.719 -16.033 0.000) 17.384 9.365 ( 6.719 -16.033 0.000) 17.384 9.809 ( -13.557 -9.072 0.000) 16.312 9.809 ( 13.557 -9.072 0.000) 16.313 10.968 ( -19.385 0.380 0.000) 19.389 10.968 ( 19.385 0.380 0.000) 19.389 11.233 ( -12.855 -6.798 0.000) 14.542 11.233 ( 12.855 -6.798 0.000) 14.542 12.921 ( -14.398 5.585 0.000) 15.443 12.921 ( 14.398 5.585 0.000) 15.443 13.151 ( -8.725 0.584 0.000) 8.744 13.151 ( 8.725 0.584 0.000) 8.744 ======================= Grid point 54 (31/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.000 13.789 0.000) 13.789 2.409 ( 0.000 4.858 0.000) 4.858 2.416 ( 0.000 10.698 0.000) 10.698 2.528 ( 0.000 5.911 0.000) 5.911 2.575 ( 0.000 1.952 0.000) 1.952 2.673 ( 0.000 2.546 0.000) 2.546 2.679 ( 0.000 0.537 0.000) 0.537 2.948 ( 0.000 -6.973 0.000) 6.973 2.954 ( 0.000 -5.713 0.000) 5.713 3.014 ( 0.000 -2.045 0.000) 2.045 3.069 ( 0.000 11.653 0.000) 11.653 3.358 ( 0.000 -1.124 0.000) 1.124 3.607 ( 0.000 0.492 0.000) 0.492 3.697 ( 0.000 0.278 0.000) 0.278 3.743 ( 0.000 1.205 0.000) 1.205 3.836 ( 0.000 3.459 0.000) 3.459 3.931 ( 0.000 -2.554 0.000) 2.554 3.965 ( 0.000 2.555 0.000) 2.555 4.011 ( 0.000 -9.519 0.000) 9.519 4.018 ( 0.000 -0.048 0.000) 0.048 4.456 ( 0.000 7.443 0.000) 7.443 4.547 ( 0.000 3.260 0.000) 3.260 4.883 ( 0.000 7.695 0.000) 7.695 4.903 ( 0.000 5.077 0.000) 5.077 5.854 ( 0.000 2.227 0.000) 2.227 6.056 ( 0.000 -7.379 0.000) 7.379 6.945 ( 0.000 19.492 0.000) 19.492 7.206 ( 0.000 2.248 0.000) 2.248 7.244 ( 0.000 0.436 0.000) 0.436 7.284 ( 0.000 2.212 0.000) 2.212 7.321 ( 0.000 7.354 0.000) 7.354 7.972 ( 0.000 -20.326 0.000) 20.326 8.439 ( 0.000 9.807 0.000) 9.807 8.441 ( 0.000 -0.723 0.000) 0.723 8.442 ( 0.000 2.586 0.000) 2.586 8.655 ( 0.000 -1.544 0.000) 1.544 9.100 ( 0.000 -5.588 0.000) 5.588 9.404 ( 0.000 -20.203 0.000) 20.203 9.504 ( 0.000 11.267 0.000) 11.267 9.902 ( 0.000 -7.859 0.000) 7.859 10.339 ( 0.000 4.137 0.000) 4.137 10.639 ( 0.000 -11.277 0.000) 11.277 11.433 ( 0.000 4.468 0.000) 4.468 11.527 ( 0.000 -0.557 0.000) 0.557 12.512 ( 0.000 13.257 0.000) 13.257 12.940 ( 0.000 -9.109 0.000) 9.109 13.599 ( 0.000 1.297 0.000) 1.297 13.679 ( 0.000 -3.084 0.000) 3.084 ======================= Grid point 55 (32/120) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -2.752 11.870 0.000) 12.185 2.369 ( -1.678 6.223 0.000) 6.445 2.464 ( 2.043 5.677 0.000) 6.034 2.526 ( -1.783 6.508 0.000) 6.748 2.541 ( -2.679 1.642 0.000) 3.143 2.659 ( -0.570 -0.752 0.000) 0.944 2.671 ( -0.293 2.969 0.000) 2.983 2.907 ( -1.994 -1.804 0.000) 2.689 2.934 ( -3.324 -0.579 0.000) 3.374 3.009 ( -5.237 8.717 0.000) 10.169 3.039 ( -0.040 -4.490 0.000) 4.490 3.318 ( -1.905 -5.306 0.000) 5.637 3.541 ( -4.840 4.098 0.000) 6.342 3.585 ( -11.481 -0.040 0.000) 11.481 3.692 ( -13.503 -4.083 0.000) 14.107 3.745 ( 3.043 -2.389 0.000) 3.869 3.973 ( 6.378 4.827 0.000) 7.999 3.993 ( 2.484 3.052 0.000) 3.935 4.050 ( 3.087 -0.325 0.000) 3.104 4.126 ( 6.191 -4.103 0.000) 7.427 4.571 ( 8.805 5.358 0.000) 10.307 4.615 ( 6.155 3.984 0.000) 7.332 4.884 ( 0.688 8.048 0.000) 8.078 4.933 ( 2.146 5.227 0.000) 5.651 5.977 ( 10.783 2.409 0.000) 11.049 6.169 ( 9.900 -6.863 0.000) 12.046 6.864 ( -6.230 16.004 0.000) 17.174 7.233 ( -2.993 -0.222 0.000) 3.001 7.368 ( 14.684 2.704 0.000) 14.931 7.421 ( 15.923 0.275 0.000) 15.925 7.464 ( 9.955 8.527 0.000) 13.108 7.981 ( 0.727 -15.622 0.000) 15.639 8.415 ( -1.452 11.099 0.000) 11.193 8.427 ( 0.074 1.380 0.000) 1.382 8.471 ( 2.010 0.688 0.000) 2.124 8.685 ( 2.684 -2.392 0.000) 3.596 9.134 ( 3.198 -6.091 0.000) 6.879 9.391 ( -1.350 -18.746 0.000) 18.795 9.578 ( 7.880 10.135 0.000) 12.838 9.963 ( 3.641 -6.995 0.000) 7.886 10.216 ( -8.543 2.848 0.000) 9.005 10.529 ( -10.462 -12.229 0.000) 16.094 11.426 ( -0.773 4.261 0.000) 4.331 11.522 ( -0.705 -0.856 0.000) 1.110 12.563 ( 4.636 12.483 0.000) 13.316 12.952 ( 0.953 -7.870 0.000) 7.928 13.566 ( -3.394 1.266 0.000) 3.622 13.642 ( -3.681 -2.883 0.000) 4.676 ======================= Grid point 56 (33/120) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( -2.146 8.163 0.000) 8.440 2.342 ( -1.188 4.061 0.000) 4.232 2.412 ( -5.633 2.097 0.000) 6.011 2.482 ( -0.126 -0.941 0.000) 0.949 2.538 ( 0.193 3.154 0.000) 3.160 2.651 ( -0.668 -1.894 0.000) 2.008 2.674 ( -0.507 6.989 0.000) 7.007 2.810 ( -7.374 4.938 0.000) 8.875 2.864 ( -2.491 0.965 0.000) 2.671 2.889 ( -5.314 5.716 0.000) 7.805 2.999 ( -3.234 -4.260 0.000) 5.348 3.299 ( -4.848 -9.842 0.000) 10.971 3.341 ( -11.280 0.831 0.000) 11.311 3.432 ( -5.762 8.292 0.000) 10.098 3.446 ( -5.344 -3.728 0.000) 6.516 3.781 ( -0.118 -6.777 0.000) 6.778 4.064 ( 4.506 4.452 0.000) 6.334 4.105 ( 6.027 5.654 0.000) 8.264 4.133 ( 4.567 0.349 0.000) 4.581 4.227 ( 3.590 -1.209 0.000) 3.788 4.738 ( 7.093 5.613 0.000) 9.045 4.769 ( 7.880 4.357 0.000) 9.005 4.911 ( 1.676 8.705 0.000) 8.865 4.974 ( 1.686 5.519 0.000) 5.771 6.226 ( 12.257 3.179 0.000) 12.663 6.404 ( 12.336 -5.777 0.000) 13.621 6.735 ( -6.006 12.890 0.000) 14.221 7.164 ( -3.940 -6.479 0.000) 7.583 7.649 ( 6.905 8.787 0.000) 11.176 7.669 ( 10.130 5.336 0.000) 11.449 7.783 ( 16.807 -0.101 0.000) 16.807 7.997 ( 0.958 -8.104 0.000) 8.160 8.447 ( 1.693 3.534 0.000) 3.918 8.452 ( 6.507 10.726 0.000) 12.545 8.557 ( 7.382 0.588 0.000) 7.405 8.755 ( 4.346 -2.626 0.000) 5.077 9.224 ( 5.448 -7.222 0.000) 9.046 9.351 ( -2.452 -14.939 0.000) 15.139 9.716 ( -11.212 4.851 0.000) 12.216 9.937 ( 14.815 4.408 0.000) 15.457 10.242 ( -14.237 -13.380 0.000) 19.538 10.319 ( 14.018 -7.777 0.000) 16.031 11.393 ( -2.800 3.416 0.000) 4.416 11.485 ( -3.369 -1.472 0.000) 3.677 12.681 ( 6.535 10.249 0.000) 12.155 12.973 ( 1.184 -5.071 0.000) 5.208 13.454 ( -7.706 1.349 0.000) 7.823 13.526 ( -7.689 -2.347 0.000) 8.039 ======================= Grid point 57 (34/120) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -0.896 4.965 0.000) 5.045 2.310 ( -2.149 2.479 0.000) 3.281 2.356 ( 0.509 -1.136 0.000) 1.245 2.467 ( -1.543 -4.763 0.000) 5.007 2.539 ( -0.013 2.108 0.000) 2.108 2.605 ( -4.463 3.542 0.000) 5.698 2.627 ( -1.480 -1.822 0.000) 2.347 2.671 ( -5.857 1.744 0.000) 6.111 2.820 ( -1.318 2.728 0.000) 3.030 2.850 ( -0.099 8.822 0.000) 8.823 2.942 ( -1.528 -2.817 0.000) 3.204 3.095 ( -9.530 -1.916 0.000) 9.720 3.173 ( -4.437 3.777 0.000) 5.827 3.307 ( -6.385 10.479 0.000) 12.271 3.503 ( 6.011 -9.743 0.000) 11.448 3.736 ( -4.047 -9.558 0.000) 10.379 4.164 ( 4.820 4.586 0.000) 6.653 4.204 ( 3.517 4.853 0.000) 5.994 4.214 ( 2.977 1.700 0.000) 3.428 4.268 ( 0.386 1.191 0.000) 1.252 4.860 ( 4.846 6.738 0.000) 8.299 4.903 ( 5.040 5.089 0.000) 7.162 4.939 ( 0.775 8.490 0.000) 8.525 4.994 ( 0.096 5.997 0.000) 5.998 6.435 ( 7.857 5.533 0.000) 9.609 6.629 ( -4.297 11.225 0.000) 12.020 6.656 ( 12.271 -5.805 0.000) 13.575 7.060 ( -6.571 -9.304 0.000) 11.390 7.725 ( 0.995 8.093 0.000) 8.154 7.737 ( -0.648 9.336 0.000) 9.358 8.033 ( 2.767 -7.319 0.000) 7.825 8.034 ( 7.296 -4.604 0.000) 8.627 8.490 ( 2.451 9.170 0.000) 9.492 8.574 ( 1.683 9.217 0.000) 9.369 8.770 ( 12.757 0.143 0.000) 12.757 8.906 ( 10.746 -3.757 0.000) 11.384 9.258 ( -4.279 -8.482 0.000) 9.500 9.373 ( -16.967 6.642 0.000) 18.220 9.387 ( 8.145 -9.848 0.000) 12.780 9.900 ( -16.085 -14.746 0.000) 21.821 10.459 ( 28.630 3.263 0.000) 28.815 10.713 ( 21.507 -8.401 0.000) 23.089 11.284 ( -9.042 2.021 0.000) 9.265 11.366 ( -8.698 -2.567 0.000) 9.069 12.827 ( 8.009 7.271 0.000) 10.817 13.016 ( 3.691 -2.542 0.000) 4.482 13.255 ( -11.479 2.213 0.000) 11.690 13.339 ( -10.218 -1.783 0.000) 10.372 ======================= Grid point 58 (35/120) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -2.116 2.773 0.000) 3.488 2.260 ( 2.116 2.773 0.000) 3.488 2.409 ( -3.718 -4.370 0.000) 5.738 2.409 ( 3.718 -4.370 0.000) 5.738 2.547 ( -1.276 1.701 0.000) 2.127 2.547 ( 1.276 1.701 0.000) 2.127 2.608 ( -0.276 -0.520 0.000) 0.588 2.608 ( 0.276 -0.520 0.000) 0.588 2.824 ( -1.605 5.160 0.000) 5.404 2.824 ( 1.605 5.160 0.000) 5.404 2.960 ( -3.616 -1.489 0.000) 3.910 2.960 ( 3.616 -1.489 0.000) 3.910 3.187 ( -4.646 9.919 0.000) 10.953 3.187 ( 4.646 9.919 0.000) 10.953 3.630 ( -6.058 -10.408 0.000) 12.043 3.630 ( 6.058 -10.408 0.000) 12.043 4.240 ( -1.158 3.611 0.000) 3.792 4.240 ( 1.158 3.611 0.000) 3.792 4.246 ( -1.353 2.974 0.000) 3.267 4.246 ( 1.353 2.974 0.000) 3.267 4.930 ( -1.898 7.614 0.000) 7.847 4.930 ( 1.898 7.614 0.000) 7.847 4.974 ( -2.104 5.972 0.000) 6.331 4.974 ( 2.104 5.972 0.000) 6.331 6.550 ( -4.058 8.961 0.000) 9.837 6.550 ( 4.058 8.961 0.000) 9.837 6.889 ( -10.207 -7.707 0.000) 12.790 6.889 ( 10.207 -7.707 0.000) 12.790 7.726 ( -0.083 8.846 0.000) 8.846 7.726 ( 0.083 8.846 0.000) 8.846 8.087 ( -1.293 -9.510 0.000) 9.597 8.087 ( 1.293 -9.510 0.000) 9.597 8.545 ( -2.811 12.665 0.000) 12.973 8.545 ( 2.811 12.665 0.000) 12.973 9.034 ( -10.387 -7.489 0.000) 12.805 9.034 ( 10.387 -7.489 0.000) 12.805 9.140 ( -4.713 4.947 0.000) 6.832 9.140 ( 4.713 4.947 0.000) 6.832 9.602 ( -12.786 -11.919 0.000) 17.479 9.602 ( 12.786 -11.919 0.000) 17.479 10.983 ( -20.933 1.404 0.000) 20.980 10.983 ( 20.933 1.404 0.000) 20.980 11.114 ( -16.444 -5.282 0.000) 17.271 11.114 ( 16.444 -5.282 0.000) 17.271 13.018 ( -10.939 4.381 0.000) 11.784 13.018 ( 10.939 4.381 0.000) 11.784 13.140 ( -8.478 -1.600 0.000) 8.628 13.140 ( 8.478 -1.600 0.000) 8.628 ======================= Grid point 63 (36/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.000 -2.202 0.000) 2.202 2.486 ( 0.000 2.202 0.000) 2.202 2.570 ( 0.000 -2.285 0.000) 2.285 2.570 ( 0.000 2.285 0.000) 2.285 2.626 ( 0.000 -6.878 0.000) 6.878 2.626 ( 0.000 6.878 0.000) 6.878 2.792 ( 0.000 -9.464 0.000) 9.464 2.792 ( 0.000 9.464 0.000) 9.464 2.931 ( 0.000 -4.858 0.000) 4.858 2.931 ( 0.000 4.858 0.000) 4.858 3.271 ( 0.000 -8.244 0.000) 8.244 3.271 ( 0.000 8.244 0.000) 8.244 3.654 ( 0.000 -3.487 0.000) 3.487 3.654 ( 0.000 3.487 0.000) 3.487 3.807 ( 0.000 -5.800 0.000) 5.800 3.807 ( 0.000 5.800 0.000) 5.800 3.914 ( 0.000 -0.022 0.000) 0.022 3.914 ( 0.000 0.022 0.000) 0.022 4.003 ( 0.000 -1.319 0.000) 1.319 4.003 ( 0.000 1.319 0.000) 1.319 4.554 ( 0.000 -2.454 0.000) 2.454 4.554 ( 0.000 2.454 0.000) 2.454 4.959 ( 0.000 -0.131 0.000) 0.131 4.959 ( 0.000 0.131 0.000) 0.131 5.929 ( 0.000 -5.370 0.000) 5.370 5.929 ( 0.000 5.370 0.000) 5.370 7.238 ( 0.000 -1.038 0.000) 1.038 7.238 ( 0.000 1.038 0.000) 1.038 7.250 ( 0.000 -7.633 0.000) 7.633 7.250 ( 0.000 7.633 0.000) 7.633 7.546 ( 0.000 -19.138 0.000) 19.138 7.546 ( 0.000 19.138 0.000) 19.138 8.457 ( 0.000 -0.911 0.000) 0.911 8.457 ( 0.000 0.911 0.000) 0.911 8.589 ( 0.000 -5.452 0.000) 5.452 8.589 ( 0.000 5.452 0.000) 5.452 9.125 ( 0.000 -7.941 0.000) 7.941 9.125 ( 0.000 7.941 0.000) 7.941 9.720 ( 0.000 -10.536 0.000) 10.536 9.720 ( 0.000 10.536 0.000) 10.536 10.453 ( 0.000 -7.684 0.000) 7.684 10.453 ( 0.000 7.684 0.000) 7.684 11.499 ( 0.000 -2.361 0.000) 2.361 11.499 ( 0.000 2.361 0.000) 2.361 12.745 ( 0.000 -10.870 0.000) 10.870 12.745 ( 0.000 10.870 0.000) 10.870 13.630 ( 0.000 -1.967 0.000) 1.967 13.630 ( 0.000 1.967 0.000) 1.967 ======================= Grid point 65 (37/120) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -1.966 -3.533 0.000) 4.043 2.463 ( -1.966 3.533 0.000) 4.043 2.516 ( -5.252 -5.656 0.000) 7.718 2.516 ( -5.252 5.656 0.000) 7.718 2.611 ( -0.558 -3.414 0.000) 3.460 2.611 ( -0.558 3.414 0.000) 3.460 2.819 ( 1.818 -8.975 0.000) 9.158 2.819 ( 1.818 8.975 0.000) 9.158 2.938 ( -0.077 -4.878 0.000) 4.879 2.938 ( -0.077 4.878 0.000) 4.879 3.191 ( -6.629 -8.269 0.000) 10.598 3.191 ( -6.629 8.269 0.000) 10.598 3.612 ( -12.358 -3.330 0.000) 12.799 3.612 ( -12.358 3.330 0.000) 12.799 3.649 ( -0.731 -6.274 0.000) 6.316 3.649 ( -0.731 6.274 0.000) 6.316 4.036 ( 3.145 -1.339 0.000) 3.418 4.036 ( 3.145 1.339 0.000) 3.418 4.054 ( 7.647 -3.645 0.000) 8.471 4.054 ( 7.647 3.645 0.000) 8.471 4.640 ( 7.316 -1.355 0.000) 7.440 4.640 ( 7.316 1.355 0.000) 7.440 4.977 ( 1.609 -1.227 0.000) 2.023 4.977 ( 1.609 1.227 0.000) 2.023 6.050 ( 10.676 -5.086 0.000) 11.825 6.050 ( 10.676 5.086 0.000) 11.825 7.138 ( -8.013 -10.202 0.000) 12.972 7.138 ( -8.013 10.202 0.000) 12.972 7.409 ( 15.511 -1.405 0.000) 15.574 7.409 ( 15.511 1.405 0.000) 15.574 7.669 ( 8.723 -13.749 0.000) 16.282 7.669 ( 8.723 13.749 0.000) 16.282 8.466 ( 1.280 -1.703 0.000) 2.130 8.466 ( 1.280 1.703 0.000) 2.130 8.594 ( 0.791 -7.000 0.000) 7.045 8.594 ( 0.791 7.000 0.000) 7.045 9.138 ( 1.257 -6.641 0.000) 6.759 9.138 ( 1.257 6.641 0.000) 6.759 9.784 ( 6.184 -10.520 0.000) 12.203 9.784 ( 6.184 10.520 0.000) 12.203 10.328 ( -11.090 -8.261 0.000) 13.828 10.328 ( -11.090 8.261 0.000) 13.828 11.490 ( -0.983 -2.413 0.000) 2.605 11.490 ( -0.983 2.413 0.000) 2.605 12.779 ( 2.973 -9.860 0.000) 10.299 12.779 ( 2.973 9.860 0.000) 10.299 13.596 ( -3.459 -1.898 0.000) 3.945 13.596 ( -3.459 1.898 0.000) 3.945 ======================= Grid point 67 (38/120) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -5.405 -3.641 0.000) 6.517 2.398 ( -5.405 3.641 0.000) 6.517 2.419 ( -2.137 -3.984 0.000) 4.521 2.419 ( -2.137 3.984 0.000) 4.521 2.601 ( -0.625 -3.094 0.000) 3.156 2.601 ( -0.625 3.094 0.000) 3.156 2.801 ( -5.062 -4.180 0.000) 6.565 2.801 ( -5.062 4.180 0.000) 6.565 2.912 ( -2.119 -3.989 0.000) 4.517 2.912 ( -2.119 3.989 0.000) 4.517 3.081 ( -2.785 -11.619 0.000) 11.948 3.081 ( -2.785 11.619 0.000) 11.948 3.378 ( -9.185 -2.893 0.000) 9.630 3.378 ( -9.185 2.893 0.000) 9.630 3.613 ( -3.028 -9.630 0.000) 10.095 3.613 ( -3.028 9.630 0.000) 10.095 4.123 ( 5.026 -1.655 0.000) 5.292 4.123 ( 5.026 1.655 0.000) 5.292 4.188 ( 5.346 -2.994 0.000) 6.127 4.188 ( 5.346 2.994 0.000) 6.127 4.803 ( 7.866 -0.930 0.000) 7.921 4.803 ( 7.866 0.930 0.000) 7.921 5.015 ( 1.827 -1.670 0.000) 2.475 5.015 ( 1.827 1.670 0.000) 2.475 6.301 ( 12.844 -4.612 0.000) 13.647 6.301 ( 12.844 4.612 0.000) 13.647 6.981 ( -6.983 -11.691 0.000) 13.617 6.981 ( -6.983 11.691 0.000) 13.617 7.751 ( 14.277 -3.014 0.000) 14.591 7.751 ( 14.277 3.014 0.000) 14.591 7.820 ( 5.216 -9.073 0.000) 10.465 7.820 ( 5.216 9.073 0.000) 10.465 8.532 ( 5.529 -3.604 0.000) 6.600 8.532 ( 5.529 3.604 0.000) 6.600 8.644 ( 4.709 -8.367 0.000) 9.602 8.644 ( 4.709 8.367 0.000) 9.602 9.174 ( 2.226 -2.845 0.000) 3.612 9.174 ( 2.226 2.845 0.000) 3.612 9.870 ( -6.540 -9.689 0.000) 11.690 9.870 ( -6.540 9.689 0.000) 11.690 10.178 ( 7.053 -5.688 0.000) 9.061 10.178 ( 7.053 5.688 0.000) 9.061 11.448 ( -3.561 -2.287 0.000) 4.232 11.448 ( -3.561 2.287 0.000) 4.232 12.851 ( 3.916 -7.407 0.000) 8.379 12.851 ( 3.916 7.407 0.000) 8.379 13.485 ( -7.478 -1.846 0.000) 7.702 13.485 ( -7.478 1.846 0.000) 7.702 ======================= Grid point 69 (39/120) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -1.774 -2.621 0.000) 3.165 2.321 ( -1.774 2.621 0.000) 3.165 2.375 ( -2.363 -4.164 0.000) 4.787 2.375 ( -2.363 4.164 0.000) 4.787 2.584 ( -0.894 -2.406 0.000) 2.567 2.584 ( -0.894 2.406 0.000) 2.567 2.661 ( -6.443 -1.977 0.000) 6.740 2.661 ( -6.443 1.977 0.000) 6.740 2.879 ( -0.469 -3.356 0.000) 3.389 2.879 ( -0.469 3.356 0.000) 3.389 3.009 ( -5.411 -6.407 0.000) 8.387 3.009 ( -5.411 6.407 0.000) 8.387 3.310 ( 2.509 -9.368 0.000) 9.698 3.310 ( 2.509 9.368 0.000) 9.698 3.526 ( -5.273 -11.474 0.000) 12.628 3.526 ( -5.273 11.474 0.000) 12.628 4.220 ( 4.066 -1.233 0.000) 4.249 4.220 ( 4.066 1.233 0.000) 4.249 4.266 ( 2.199 -1.543 0.000) 2.686 4.266 ( 2.199 1.543 0.000) 2.686 4.941 ( 5.439 -1.244 0.000) 5.579 4.941 ( 5.439 1.244 0.000) 5.579 5.040 ( 0.329 -1.492 0.000) 1.528 5.040 ( 0.329 1.492 0.000) 1.528 6.544 ( 10.625 -5.669 0.000) 12.043 6.544 ( 10.625 5.669 0.000) 12.043 6.854 ( -5.818 -11.454 0.000) 12.847 6.854 ( -5.818 11.454 0.000) 12.847 7.880 ( 1.329 -7.950 0.000) 8.060 7.880 ( 1.329 7.950 0.000) 8.060 7.908 ( 1.977 -7.937 0.000) 8.179 7.908 ( 1.977 7.937 0.000) 8.179 8.678 ( 7.750 -8.826 0.000) 11.746 8.678 ( 7.750 8.826 0.000) 11.746 8.761 ( 5.040 -9.433 0.000) 10.695 8.761 ( 5.040 9.433 0.000) 10.695 9.234 ( 3.975 -4.980 0.000) 6.372 9.234 ( 3.975 4.980 0.000) 6.372 9.600 ( -14.318 -14.759 0.000) 20.563 9.600 ( -14.318 14.759 0.000) 20.563 10.564 ( 24.329 -6.817 0.000) 25.266 10.564 ( 24.329 6.817 0.000) 25.266 11.322 ( -9.615 -2.016 0.000) 9.824 11.322 ( -9.615 2.016 0.000) 9.824 12.944 ( 5.573 -4.850 0.000) 7.388 12.944 ( 5.573 4.850 0.000) 7.388 13.299 ( -10.381 -2.242 0.000) 10.620 13.299 ( -10.381 2.242 0.000) 10.620 ======================= Grid point 71 (40/120) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -1.917 -3.936 0.000) 4.378 2.326 ( 1.917 -3.936 0.000) 4.378 2.326 ( -1.917 3.936 0.000) 4.378 2.326 ( 1.917 3.936 0.000) 4.378 2.582 ( -1.369 -1.747 0.000) 2.219 2.582 ( 1.369 -1.747 0.000) 2.219 2.582 ( -1.369 1.747 0.000) 2.219 2.582 ( 1.369 1.747 0.000) 2.219 2.909 ( -3.493 -3.553 0.000) 4.983 2.909 ( 3.493 -3.553 0.000) 4.983 2.909 ( -3.493 3.553 0.000) 4.983 2.909 ( 3.493 3.553 0.000) 4.983 3.409 ( -5.964 -11.931 0.000) 13.339 3.409 ( 5.964 -11.931 0.000) 13.339 3.409 ( -5.964 11.931 0.000) 13.339 3.409 ( 5.964 11.931 0.000) 13.339 4.276 ( -1.223 -0.068 0.000) 1.225 4.276 ( -1.223 0.068 0.000) 1.225 4.276 ( 1.223 -0.068 0.000) 1.225 4.276 ( 1.223 0.068 0.000) 1.225 5.020 ( -2.369 -1.308 0.000) 2.706 5.020 ( 2.369 -1.308 0.000) 2.706 5.020 ( -2.369 1.308 0.000) 2.706 5.020 ( 2.369 1.308 0.000) 2.706 6.726 ( -7.280 -8.867 0.000) 11.473 6.726 ( 7.280 -8.867 0.000) 11.473 6.726 ( -7.280 8.867 0.000) 11.473 6.726 ( 7.280 8.867 0.000) 11.473 7.903 ( -1.178 -9.330 0.000) 9.404 7.903 ( 1.178 -9.330 0.000) 9.404 7.903 ( -1.178 9.330 0.000) 9.404 7.903 ( 1.178 9.330 0.000) 9.404 8.793 ( -2.428 -12.888 0.000) 13.114 8.793 ( 2.428 -12.888 0.000) 13.114 8.793 ( -2.428 12.888 0.000) 13.114 8.793 ( 2.428 12.888 0.000) 13.114 9.359 ( -8.900 -12.645 0.000) 15.463 9.359 ( 8.900 -12.645 0.000) 15.463 9.359 ( -8.900 12.645 0.000) 15.463 9.359 ( 8.900 12.645 0.000) 15.463 11.029 ( -19.394 -3.373 0.000) 19.685 11.029 ( -19.394 3.373 0.000) 19.685 11.029 ( 19.394 -3.373 0.000) 19.685 11.029 ( 19.394 3.373 0.000) 19.685 13.092 ( -9.127 -3.206 0.000) 9.674 13.092 ( -9.127 3.207 0.000) 9.674 13.092 ( 9.127 -3.206 0.000) 9.674 13.092 ( 9.127 3.206 0.000) 9.674 ======================= Grid point 135 (41/120) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 0.000 21.930) 21.930 0.490 ( 0.000 0.000 23.067) 23.067 0.991 ( 0.000 0.000 46.744) 46.744 1.308 ( 0.000 0.000 -16.850) 16.850 1.364 ( 0.000 0.000 -17.256) 17.256 2.156 ( 0.000 0.000 10.507) 10.507 2.218 ( 0.000 0.000 11.437) 11.437 2.457 ( 0.000 0.000 -2.705) 2.705 2.471 ( 0.000 0.000 1.347) 1.347 2.588 ( 0.000 0.000 -3.763) 3.763 2.608 ( 0.000 0.000 -6.402) 6.402 2.728 ( 0.000 0.000 4.520) 4.520 2.787 ( 0.000 0.000 -33.579) 33.579 2.953 ( 0.000 0.000 2.032) 2.032 3.030 ( 0.000 0.000 -1.104) 1.104 3.040 ( 0.000 0.000 -5.276) 5.276 3.391 ( 0.000 0.000 -0.124) 0.124 3.544 ( 0.000 0.000 -5.536) 5.536 3.729 ( 0.000 0.000 5.675) 5.675 3.888 ( 0.000 0.000 -1.885) 1.885 4.389 ( 0.000 0.000 26.109) 26.109 4.711 ( 0.000 0.000 1.530) 1.530 4.791 ( 0.000 0.000 -1.607) 1.607 5.181 ( 0.000 0.000 -10.150) 10.150 6.315 ( 0.000 0.000 1.614) 1.614 6.387 ( 0.000 0.000 24.138) 24.138 6.406 ( 0.000 0.000 -1.850) 1.850 6.859 ( 0.000 0.000 0.261) 0.261 6.882 ( 0.000 0.000 -0.191) 0.191 6.909 ( 0.000 0.000 2.257) 2.257 6.921 ( 0.000 0.000 0.389) 0.389 6.944 ( 0.000 0.000 -0.388) 0.388 7.023 ( 0.000 0.000 -2.078) 2.078 7.870 ( 0.000 0.000 -35.880) 35.880 9.163 ( 0.000 0.000 9.121) 9.121 9.409 ( 0.000 0.000 0.297) 0.297 9.423 ( 0.000 0.000 -0.228) 0.228 9.730 ( 0.000 0.000 23.462) 23.462 9.756 ( 0.000 0.000 -12.620) 12.620 10.198 ( 0.000 0.000 0.543) 0.543 10.227 ( 0.000 0.000 -0.542) 0.542 10.433 ( 0.000 0.000 -8.528) 8.528 11.967 ( 0.000 0.000 1.783) 1.783 12.036 ( 0.000 0.000 -1.141) 1.141 12.141 ( 0.000 0.000 5.826) 5.826 12.407 ( 0.000 0.000 -4.221) 4.221 14.063 ( 0.000 0.000 0.635) 0.635 14.095 ( 0.000 0.000 -0.573) 0.573 ======================= Grid point 136 (42/120) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 16.109 0.000 15.843) 22.594 0.797 ( 18.923 0.000 18.207) 26.260 1.280 ( 28.862 0.000 31.368) 42.626 1.419 ( 5.280 0.000 -15.800) 16.659 1.501 ( 15.972 0.000 -15.518) 22.269 2.172 ( 1.468 0.000 10.087) 10.194 2.227 ( 2.046 0.000 11.100) 11.287 2.432 ( -3.566 0.000 1.231) 3.772 2.462 ( 0.093 0.000 -2.151) 2.153 2.561 ( -2.624 0.000 -4.321) 5.055 2.633 ( 1.659 0.000 -4.687) 4.972 2.700 ( -3.901 0.000 2.596) 4.686 2.872 ( 7.810 0.000 -30.709) 31.687 2.925 ( -2.454 0.000 2.468) 3.481 2.964 ( -7.092 0.000 -5.122) 8.748 3.019 ( -1.053 0.000 -1.358) 1.718 3.349 ( -3.354 0.000 1.081) 3.524 3.510 ( -2.212 0.000 -6.149) 6.535 3.809 ( 6.786 0.000 4.385) 8.080 3.970 ( 4.857 0.000 -5.216) 7.127 4.402 ( 0.679 0.000 24.044) 24.054 4.668 ( -5.033 0.000 1.350) 5.211 4.726 ( -5.805 0.000 -0.374) 5.817 5.140 ( -4.056 0.000 -9.470) 10.302 6.338 ( 2.263 0.000 1.716) 2.840 6.417 ( 3.746 0.000 21.251) 21.579 6.435 ( 2.781 0.000 -1.991) 3.420 6.606 ( -1.262 0.000 19.192) 19.234 6.887 ( -2.093 0.000 2.220) 3.051 6.973 ( 7.600 0.000 0.075) 7.601 6.998 ( -2.348 0.000 -2.016) 3.095 7.136 ( 22.732 0.000 -0.086) 22.733 7.504 ( 17.104 0.000 -20.623) 26.793 8.077 ( 16.813 0.000 -29.745) 34.168 9.113 ( -1.777 0.000 14.578) 14.686 9.401 ( -0.698 0.000 0.484) 0.849 9.425 ( 0.133 0.000 -0.416) 0.436 9.485 ( -9.074 0.000 9.672) 13.262 9.943 ( 9.611 0.000 4.044) 10.427 10.200 ( 0.211 0.000 0.641) 0.675 10.234 ( 0.603 0.000 -0.633) 0.874 10.527 ( 8.809 0.000 -9.291) 12.803 11.959 ( -3.212 0.000 0.613) 3.270 11.963 ( -4.333 0.000 1.802) 4.693 12.341 ( 8.032 0.000 -7.326) 10.871 12.392 ( 2.722 0.000 -5.203) 5.872 13.807 ( -15.932 0.000 9.557) 18.579 13.984 ( -10.462 0.000 -1.372) 10.552 ======================= Grid point 137 (43/120) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 19.523 0.000 8.881) 21.448 1.146 ( 16.970 0.000 16.851) 23.915 1.568 ( 9.017 0.000 -12.328) 15.273 1.807 ( 13.152 0.000 -13.264) 18.679 2.008 ( 37.419 0.000 14.327) 40.068 2.202 ( 0.320 0.000 8.517) 8.523 2.331 ( 7.466 0.000 10.509) 12.891 2.335 ( -4.881 0.000 1.654) 5.154 2.423 ( -5.448 0.000 -1.946) 5.785 2.505 ( -1.783 0.000 -4.303) 4.658 2.515 ( -10.978 0.000 4.571) 11.892 2.718 ( 3.687 0.000 -5.774) 6.851 2.773 ( -10.220 0.000 -5.393) 11.555 2.873 ( -2.067 0.000 2.856) 3.525 2.988 ( -1.901 0.000 -1.762) 2.592 3.081 ( 11.919 0.000 -21.422) 24.514 3.291 ( -1.293 0.000 -2.205) 2.556 3.465 ( -2.368 0.000 -5.147) 5.666 3.969 ( 7.948 0.000 3.027) 8.505 4.050 ( 2.787 0.000 -2.064) 3.467 4.406 ( -0.576 0.000 17.777) 17.786 4.483 ( -12.972 0.000 1.643) 13.076 4.582 ( -7.348 0.000 0.333) 7.355 5.020 ( -7.500 0.000 -7.627) 10.697 6.405 ( 4.218 0.000 1.856) 4.608 6.511 ( 4.509 0.000 -2.235) 5.032 6.537 ( 6.996 0.000 19.375) 20.599 6.661 ( 4.494 0.000 19.299) 19.816 6.826 ( -3.779 0.000 2.154) 4.349 6.931 ( -4.117 0.000 -1.870) 4.521 7.163 ( 10.323 0.000 -0.924) 10.364 7.553 ( 9.269 0.000 -17.985) 20.233 7.840 ( 24.133 0.000 2.761) 24.290 8.384 ( 12.304 0.000 -17.366) 21.283 9.135 ( 2.242 0.000 8.469) 8.760 9.360 ( -4.153 0.000 3.539) 5.456 9.387 ( -0.576 0.000 0.750) 0.946 9.425 ( -0.250 0.000 -0.685) 0.730 10.208 ( 0.608 0.000 0.740) 0.958 10.224 ( 18.916 0.000 5.572) 19.719 10.247 ( 0.538 0.000 -0.716) 0.896 10.758 ( 12.807 0.000 -10.625) 16.640 11.784 ( -11.283 0.000 3.463) 11.803 11.942 ( -0.703 0.000 -2.974) 3.056 12.291 ( -3.156 0.000 4.324) 5.353 12.621 ( 12.135 0.000 -11.157) 16.485 13.510 ( -14.357 0.000 6.394) 15.716 13.714 ( -14.974 0.000 -2.383) 15.163 ======================= Grid point 138 (44/120) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 18.682 0.000 4.982) 19.334 1.504 ( 18.120 0.000 11.016) 21.205 1.771 ( 10.496 0.000 -8.442) 13.469 2.020 ( 9.031 0.000 -10.485) 13.838 2.092 ( -10.138 0.000 3.541) 10.738 2.226 ( -15.584 0.000 4.401) 16.194 2.246 ( -10.001 0.000 -3.178) 10.494 2.332 ( 2.522 0.000 4.288) 4.975 2.389 ( -5.977 0.000 1.261) 6.109 2.467 ( -2.542 0.000 -0.532) 2.597 2.671 ( 3.925 0.000 -0.394) 3.945 2.741 ( 20.892 0.000 4.685) 21.411 2.803 ( 14.528 0.000 0.991) 14.562 2.858 ( 0.721 0.000 1.348) 1.528 2.943 ( -2.454 0.000 -1.672) 2.970 3.243 ( 2.754 0.000 2.341) 3.614 3.359 ( 2.089 0.000 -9.833) 10.052 3.450 ( 6.589 0.000 -10.905) 12.741 3.998 ( -11.479 0.000 0.363) 11.485 4.050 ( -4.609 0.000 -1.000) 4.717 4.263 ( -1.833 0.000 5.815) 6.097 4.348 ( -4.546 0.000 1.938) 4.942 4.510 ( 2.159 0.000 5.750) 6.142 4.843 ( -9.696 0.000 -4.986) 10.903 6.504 ( 5.363 0.000 1.800) 5.657 6.609 ( 4.747 0.000 -2.384) 5.312 6.667 ( 5.344 0.000 18.997) 19.734 6.739 ( -4.508 0.000 2.191) 5.012 6.739 ( 2.410 0.000 19.127) 19.278 6.837 ( -5.031 0.000 -1.709) 5.313 7.368 ( 9.285 0.000 -3.317) 9.860 7.601 ( -1.502 0.000 -12.229) 12.321 8.340 ( 20.531 0.000 -1.448) 20.582 8.573 ( 6.010 0.000 -10.695) 12.267 9.162 ( 0.840 0.000 2.539) 2.674 9.286 ( -3.694 0.000 0.482) 3.725 9.382 ( 0.217 0.000 0.627) 0.664 9.413 ( -0.836 0.000 -0.537) 0.994 10.225 ( 0.932 0.000 0.516) 1.065 10.252 ( -0.104 0.000 -0.516) 0.526 10.681 ( 23.757 0.000 3.829) 24.064 11.026 ( 13.702 0.000 -8.909) 16.344 11.514 ( -14.360 0.000 5.491) 15.374 11.810 ( -13.767 0.000 -8.088) 15.967 12.391 ( 14.164 0.000 11.254) 18.090 12.872 ( 12.571 0.000 -9.130) 15.537 13.181 ( -18.347 0.000 4.872) 18.983 13.412 ( -14.199 0.000 -3.679) 14.668 ======================= Grid point 139 (45/120) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -14.294 0.000 2.243) 14.468 1.797 ( 14.294 0.000 2.243) 14.468 1.875 ( -18.052 0.000 6.610) 19.225 1.875 ( 18.052 0.000 6.610) 19.225 2.026 ( -10.190 0.000 -4.310) 11.064 2.026 ( 10.190 0.000 -4.310) 11.064 2.210 ( -9.495 0.000 -6.298) 11.394 2.210 ( 9.495 0.000 -6.298) 11.394 2.402 ( -3.656 0.000 2.781) 4.593 2.402 ( 3.656 0.000 2.781) 4.593 2.762 ( -3.129 0.000 0.321) 3.145 2.762 ( 3.129 0.000 0.321) 3.145 2.893 ( -2.343 0.000 -0.655) 2.433 2.893 ( 2.343 0.000 -0.655) 2.433 3.295 ( -3.837 0.000 -0.565) 3.879 3.295 ( 3.837 0.000 -0.565) 3.879 3.400 ( -21.194 0.000 3.607) 21.498 3.400 ( 21.194 0.000 3.607) 21.498 3.871 ( -9.108 0.000 -8.564) 12.502 3.871 ( 9.108 0.000 -8.564) 12.502 4.291 ( -1.724 0.000 5.559) 5.821 4.291 ( 1.724 0.000 5.559) 5.821 4.642 ( -9.337 0.000 -0.963) 9.387 4.642 ( 9.337 0.000 -0.963) 9.387 6.614 ( -4.976 0.000 1.155) 5.109 6.614 ( 4.976 0.000 1.155) 5.109 6.734 ( -4.718 0.000 -1.205) 4.870 6.734 ( 4.718 0.000 -1.205) 4.870 6.744 ( -1.962 0.000 19.036) 19.137 6.744 ( 1.962 0.000 19.036) 19.137 7.525 ( -5.851 0.000 -7.009) 9.130 7.525 ( 5.851 0.000 -7.009) 9.130 8.599 ( -4.718 0.000 -6.350) 7.911 8.599 ( 4.718 0.000 -6.350) 7.911 9.205 ( -3.704 0.000 -0.295) 3.716 9.205 ( 3.704 0.000 -0.295) 3.716 9.394 ( -0.886 0.000 0.058) 0.888 9.394 ( 0.886 0.000 0.058) 0.888 10.243 ( -0.758 0.000 -0.014) 0.758 10.243 ( 0.758 0.000 -0.014) 0.758 11.098 ( -15.101 0.000 0.813) 15.123 11.098 ( 15.101 0.000 0.813) 15.123 11.461 ( -16.619 0.000 -2.782) 16.850 11.461 ( 16.619 0.000 -2.782) 16.850 12.771 ( -20.841 0.000 7.021) 21.991 12.771 ( 20.841 0.000 7.021) 21.991 13.136 ( -13.120 0.000 -6.146) 14.489 13.136 ( 13.120 0.000 -6.146) 14.489 ======================= Grid point 144 (46/120) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.000 16.443 15.115) 22.335 0.708 ( 0.000 16.012 17.369) 23.624 1.303 ( 0.000 28.776 32.706) 43.563 1.371 ( 0.000 6.437 -15.403) 16.694 1.484 ( 0.000 10.505 -17.320) 20.257 2.214 ( 0.000 5.928 10.546) 12.098 2.229 ( 0.000 2.025 11.127) 11.310 2.532 ( 0.000 4.813 -1.940) 5.189 2.568 ( 0.000 10.581 -3.190) 11.051 2.649 ( 0.000 4.539 -6.142) 7.637 2.662 ( 0.000 5.899 -3.696) 6.961 2.756 ( 0.000 3.491 6.864) 7.700 2.887 ( 0.000 10.149 -29.247) 30.958 2.997 ( 0.000 2.964 3.187) 4.352 3.069 ( 0.000 3.207 -4.077) 5.188 3.111 ( 0.000 7.564 -1.567) 7.724 3.379 ( 0.000 1.214 -0.660) 1.382 3.542 ( 0.000 0.148 -6.446) 6.448 3.716 ( 0.000 -1.205 5.340) 5.475 3.880 ( 0.000 -0.908 -2.296) 2.470 4.389 ( 0.000 0.032 25.122) 25.122 4.679 ( 0.000 -3.159 1.583) 3.533 4.751 ( 0.000 -3.419 -0.683) 3.487 5.145 ( 0.000 -3.347 -9.793) 10.349 6.346 ( 0.000 -3.035 21.025) 21.243 6.382 ( 0.000 6.620 1.375) 6.762 6.471 ( 0.000 0.681 3.907) 3.966 6.487 ( 0.000 -6.817 13.826) 15.415 6.788 ( 0.000 -8.023 -2.094) 8.292 6.882 ( 0.000 2.169 0.331) 2.194 6.906 ( 0.000 2.381 -0.258) 2.395 7.194 ( 0.000 11.831 1.792) 11.966 7.522 ( 0.000 23.097 -18.550) 29.624 7.865 ( 0.000 -0.422 -36.560) 36.563 8.982 ( 0.000 -22.169 17.980) 28.544 9.012 ( 0.000 -10.525 4.416) 11.414 9.479 ( 0.000 1.675 13.046) 13.153 9.787 ( 0.000 7.114 13.102) 14.909 9.818 ( 0.000 2.132 -7.569) 7.864 10.315 ( 0.000 6.699 -2.215) 7.055 10.369 ( 0.000 15.934 0.408) 15.939 10.440 ( 0.000 2.229 -5.171) 5.631 11.931 ( 0.000 -11.091 3.884) 11.752 11.988 ( 0.000 -5.475 0.173) 5.478 12.308 ( 0.000 -9.347 -2.617) 9.706 12.480 ( 0.000 22.653 -23.196) 32.423 13.928 ( 0.000 -8.884 8.983) 12.634 14.069 ( 0.000 -2.549 -1.095) 2.774 ======================= Grid point 145 (47/120) ======================= q-point: ( 0.12 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 13.722 12.184 13.500) 22.781 0.915 ( 16.086 11.292 15.492) 25.026 1.511 ( 8.377 6.754 -15.379) 18.769 1.534 ( 21.527 23.366 21.202) 38.196 1.575 ( 12.543 8.870 -12.416) 19.752 2.229 ( 1.182 4.571 10.520) 11.531 2.248 ( 2.677 3.679 10.298) 11.258 2.503 ( -2.556 5.675 -1.366) 6.372 2.560 ( -1.148 8.464 -2.173) 8.814 2.609 ( -4.183 4.967 -2.644) 7.011 2.680 ( 2.192 5.559 -5.109) 7.862 2.719 ( -4.087 2.875 4.325) 6.609 2.946 ( 1.743 5.909 -13.580) 14.912 2.987 ( 2.015 6.281 -10.692) 12.563 2.992 ( -5.895 4.061 -3.119) 7.808 3.099 ( -1.310 7.247 -2.101) 7.658 3.351 ( -2.558 1.399 -0.125) 2.918 3.505 ( -2.638 -0.355 -6.326) 6.863 3.795 ( 6.813 -1.241 4.030) 8.012 3.950 ( 4.889 -1.648 -3.676) 6.334 4.397 ( 0.487 -0.293 23.297) 23.304 4.637 ( -4.633 -2.979 1.297) 5.659 4.692 ( -5.554 -3.214 -0.295) 6.424 5.105 ( -3.909 -3.274 -9.094) 10.425 6.384 ( 3.348 -3.303 20.868) 21.391 6.399 ( 1.971 4.186 3.472) 5.785 6.450 ( -0.034 -0.800 7.839) 7.880 6.525 ( 5.327 2.292 4.184) 7.151 6.837 ( 2.891 -6.010 -0.527) 6.690 7.010 ( 9.126 4.391 1.009) 10.178 7.084 ( 6.202 3.868 -0.727) 7.346 7.265 ( 13.693 11.081 4.517) 18.185 7.584 ( 5.756 7.203 -22.137) 23.981 8.079 ( 16.174 0.223 -28.990) 33.198 8.918 ( -0.498 -13.603 14.596) 19.958 9.068 ( 1.086 -15.642 2.982) 15.960 9.522 ( 3.239 5.647 8.698) 10.865 9.725 ( -3.053 10.079 3.523) 11.105 9.902 ( 5.154 -1.739 2.147) 5.848 10.284 ( -1.534 4.950 -3.132) 6.055 10.390 ( 2.992 14.126 2.170) 14.601 10.574 ( 10.902 6.497 -6.159) 14.107 11.871 ( -5.787 -10.116 3.619) 12.203 11.946 ( -3.204 -4.837 0.186) 5.804 12.275 ( -3.108 -9.149 -1.171) 9.733 12.506 ( 3.166 12.582 -18.022) 22.206 13.765 ( -12.218 -3.386 9.775) 16.009 13.964 ( -9.817 -1.908 -1.696) 10.143 ======================= Grid point 146 (48/120) ======================= q-point: ( 0.25 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 17.688 8.367 9.501) 21.752 1.239 ( 15.987 9.475 13.386) 22.903 1.671 ( 8.787 8.900 -12.929) 17.988 1.843 ( 11.998 3.606 -13.207) 18.204 2.138 ( 32.111 12.841 12.342) 36.719 2.259 ( 0.969 5.030 8.661) 10.063 2.350 ( 6.591 2.868 10.030) 12.339 2.421 ( -4.608 6.724 0.911) 8.203 2.491 ( -7.235 5.033 -0.352) 8.820 2.526 ( -4.464 5.524 0.607) 7.128 2.585 ( -4.919 5.679 -0.389) 7.523 2.743 ( 2.310 3.393 -4.590) 6.157 2.807 ( -9.509 3.852 -4.597) 11.242 2.920 ( -1.675 4.418 2.896) 5.542 3.060 ( -2.424 6.496 -2.103) 7.245 3.163 ( 10.591 8.131 -18.163) 22.543 3.303 ( -0.983 1.606 -3.665) 4.121 3.454 ( -2.289 -0.909 -5.041) 5.611 3.956 ( 8.023 -1.165 2.716) 8.550 4.036 ( 3.108 -1.260 -1.574) 3.704 4.397 ( -0.834 -0.642 16.707) 16.740 4.463 ( -12.345 -1.855 1.523) 12.577 4.557 ( -6.552 -2.370 0.636) 6.996 4.990 ( -7.246 -2.917 -7.298) 10.690 6.446 ( 2.981 -2.608 9.239) 10.052 6.457 ( 2.335 -3.568 8.594) 9.593 6.505 ( 5.047 3.184 8.170) 10.117 6.675 ( 8.651 5.317 5.901) 11.745 6.853 ( -1.460 0.140 1.364) 2.003 7.071 ( -1.927 9.920 3.138) 10.581 7.219 ( 9.697 5.673 -0.158) 11.236 7.582 ( 6.130 3.037 -18.256) 19.496 7.850 ( 24.214 1.121 2.726) 24.393 8.377 ( 12.151 -0.723 -17.566) 21.371 8.962 ( 2.698 -11.177 6.237) 13.080 9.074 ( 0.480 -14.367 0.812) 14.398 9.576 ( 1.666 11.493 3.441) 12.112 9.673 ( -2.138 12.184 2.446) 12.609 10.027 ( 7.452 -7.386 1.827) 10.650 10.267 ( -0.379 3.045 -4.002) 5.043 10.508 ( 8.964 14.977 4.950) 18.143 10.831 ( 13.205 8.017 -7.756) 17.286 11.703 ( -10.556 -8.513 4.267) 14.217 11.895 ( -1.981 -5.884 -3.608) 7.181 12.206 ( -1.649 -7.736 5.876) 9.853 12.623 ( 8.232 1.053 -12.848) 15.295 13.503 ( -13.752 -0.571 6.300) 15.137 13.704 ( -14.867 -0.977 -2.424) 15.095 ======================= Grid point 147 (49/120) ======================= q-point: ( 0.38 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 17.614 5.414 6.671) 19.597 1.574 ( 16.780 8.108 8.179) 20.352 1.864 ( 9.539 8.094 -9.129) 15.487 2.042 ( 8.410 2.500 -9.814) 13.164 2.168 ( -9.253 5.534 2.586) 11.087 2.238 ( -13.676 4.217 3.523) 14.738 2.341 ( -8.469 6.558 -1.334) 10.794 2.394 ( -1.721 3.148 2.911) 4.620 2.416 ( -2.218 7.131 2.286) 7.810 2.557 ( -1.562 7.804 -0.016) 7.959 2.695 ( 1.526 2.416 -0.226) 2.867 2.767 ( 3.536 1.606 -0.668) 3.941 2.835 ( 26.845 5.497 5.492) 27.947 2.910 ( 0.473 4.314 2.533) 5.025 3.011 ( -0.886 6.212 -0.605) 6.304 3.271 ( 1.795 2.947 1.194) 3.651 3.372 ( -0.469 1.310 -6.936) 7.074 3.475 ( 9.494 3.299 -12.946) 16.390 3.995 ( -10.158 -0.133 0.102) 10.159 4.045 ( -3.910 -0.332 -0.889) 4.023 4.250 ( -1.960 -1.169 5.242) 5.718 4.335 ( -4.542 -1.057 1.714) 4.968 4.499 ( 2.210 -1.018 6.045) 6.517 4.818 ( -9.390 -2.375 -4.656) 10.747 6.498 ( 1.817 -5.950 7.463) 9.716 6.501 ( 2.000 -6.968 7.235) 10.242 6.611 ( 4.996 5.168 6.468) 9.670 6.792 ( -3.539 4.135 1.102) 5.553 6.844 ( 6.817 8.865 8.421) 13.999 7.022 ( -2.677 11.318 6.120) 13.142 7.411 ( 8.493 4.498 -3.154) 10.115 7.612 ( -1.233 1.223 -12.452) 12.572 8.332 ( 19.652 -0.577 -1.154) 19.694 8.563 ( 5.833 -0.963 -10.600) 12.137 8.986 ( 0.541 -11.069 0.774) 11.109 9.080 ( -1.051 -11.602 -1.119) 11.703 9.593 ( 0.435 13.576 1.632) 13.681 9.637 ( -1.454 13.351 1.984) 13.575 10.176 ( 5.865 -5.084 -0.691) 7.792 10.263 ( -0.118 1.620 -3.431) 3.796 10.756 ( 14.751 6.252 5.549) 16.955 11.078 ( 10.503 4.949 -7.736) 13.952 11.462 ( -11.545 -4.925 6.602) 14.182 11.766 ( -11.723 -4.539 -7.075) 14.425 12.346 ( 15.969 -4.118 10.697) 19.657 12.832 ( 11.982 -3.481 -9.507) 15.687 13.179 ( -18.570 -0.099 4.566) 19.124 13.393 ( -15.055 -1.678 -3.532) 15.555 ======================= Grid point 148 (50/120) ======================= q-point: (-0.50 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -10.099 4.314 2.958) 11.374 1.849 ( 10.099 4.314 2.958) 11.374 1.920 ( -12.225 5.258 4.454) 14.033 1.920 ( 12.225 5.258 4.454) 14.033 2.133 ( -7.689 9.121 -4.615) 12.791 2.133 ( 7.689 9.121 -4.615) 12.791 2.234 ( -7.935 3.204 -4.893) 9.858 2.234 ( 7.935 3.204 -4.893) 9.858 2.485 ( -4.306 7.758 3.054) 9.384 2.485 ( 4.306 7.758 3.054) 9.384 2.763 ( -2.340 0.381 -0.173) 2.377 2.763 ( 2.340 0.381 -0.173) 2.377 2.936 ( -2.178 3.711 1.050) 4.429 2.936 ( 2.178 3.711 1.050) 4.429 3.313 ( -3.677 2.016 -2.079) 4.681 3.313 ( 3.677 2.016 -2.079) 4.681 3.434 ( -20.673 3.826 3.809) 21.366 3.434 ( 20.673 3.826 3.809) 21.366 3.883 ( -8.437 1.402 -8.105) 11.783 3.883 ( 8.437 1.402 -8.105) 11.783 4.278 ( -1.767 -1.065 5.060) 5.465 4.278 ( 1.767 -1.065 5.060) 5.465 4.625 ( -8.947 -1.655 -0.579) 9.118 4.625 ( 8.947 -1.655 -0.579) 9.118 6.521 ( -0.191 -8.262 7.297) 11.025 6.521 ( 0.191 -8.262 7.297) 11.025 6.707 ( -4.506 5.971 3.352) 8.197 6.707 ( 4.506 5.971 3.352) 8.197 6.956 ( -4.128 11.205 7.767) 14.245 6.956 ( 4.128 11.205 7.767) 14.245 7.549 ( -4.946 2.585 -6.999) 8.951 7.549 ( 4.946 2.585 -6.999) 8.951 8.585 ( -4.835 -1.272 -5.646) 7.541 8.585 ( 4.835 -1.272 -5.646) 7.541 9.024 ( -3.380 -11.099 -2.176) 11.804 9.024 ( 3.380 -11.099 -2.176) 11.804 9.609 ( -1.243 13.988 1.734) 14.150 9.609 ( 1.243 13.988 1.734) 14.150 10.249 ( -1.691 0.044 -1.958) 2.587 10.249 ( 1.691 0.044 -1.958) 2.587 11.056 ( -13.076 -3.799 1.591) 13.710 11.056 ( 13.076 -3.799 1.591) 13.710 11.481 ( -13.674 1.843 -1.471) 13.876 11.481 ( 13.674 1.843 -1.471) 13.876 12.756 ( -21.964 -1.441 6.682) 23.004 12.756 ( 21.964 -1.441 6.682) 23.004 13.099 ( -13.908 -3.229 -6.306) 15.608 13.099 ( 13.908 -3.229 -6.306) 15.608 ======================= Grid point 153 (51/120) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.000 20.140 8.845) 21.997 1.042 ( 0.000 18.173 10.576) 21.026 1.541 ( 0.000 10.878 -12.610) 16.654 1.691 ( 0.000 9.461 -17.941) 20.283 1.943 ( 0.000 32.941 19.093) 38.074 2.305 ( 0.000 5.744 9.599) 11.187 2.380 ( 0.000 10.406 12.393) 16.182 2.617 ( 0.000 4.234 -4.370) 6.085 2.736 ( 0.000 3.520 -2.798) 4.496 2.756 ( 0.000 6.230 -5.110) 8.058 2.860 ( 0.000 15.579 -1.637) 15.665 2.922 ( 0.000 13.224 3.471) 13.672 3.017 ( 0.000 -0.822 4.766) 4.837 3.153 ( 0.000 14.939 -17.860) 23.285 3.183 ( 0.000 8.570 -0.985) 8.626 3.290 ( 0.000 10.907 -5.627) 12.273 3.476 ( 0.000 7.793 -1.961) 8.036 3.572 ( 0.000 3.663 -6.303) 7.290 3.693 ( 0.000 -0.451 4.059) 4.084 3.851 ( 0.000 -2.071 -3.385) 3.968 4.396 ( 0.000 0.836 21.709) 21.725 4.592 ( 0.000 -5.550 2.194) 5.968 4.666 ( 0.000 -5.302 -0.758) 5.355 5.057 ( 0.000 -5.570 -8.502) 10.165 6.287 ( 0.000 -2.916 22.540) 22.728 6.338 ( 0.000 -4.093 12.598) 13.246 6.553 ( 0.000 9.693 0.347) 9.700 6.622 ( 0.000 8.741 0.729) 8.772 6.640 ( 0.000 -6.417 -1.801) 6.665 6.940 ( 0.000 3.681 0.675) 3.742 6.971 ( 0.000 4.145 -0.477) 4.172 7.442 ( 0.000 13.298 3.248) 13.689 7.854 ( 0.000 12.720 -13.920) 18.856 7.856 ( 0.000 -0.453 -37.381) 37.383 8.712 ( 0.000 -7.529 11.550) 13.788 8.822 ( 0.000 -8.727 1.701) 8.891 9.469 ( 0.000 -1.201 22.613) 22.645 9.863 ( 0.000 2.864 -4.879) 5.658 9.951 ( 0.000 7.444 1.997) 7.708 10.344 ( 0.000 -2.093 -8.943) 9.184 10.630 ( 0.000 14.674 5.149) 15.551 10.757 ( 0.000 22.492 -0.934) 22.511 11.604 ( 0.000 -21.582 3.117) 21.806 11.775 ( 0.000 -17.295 -3.647) 17.675 12.123 ( 0.000 -7.350 7.619) 10.587 12.787 ( 0.000 10.123 -23.734) 25.803 13.796 ( 0.000 -4.877 10.005) 11.130 14.004 ( 0.000 -3.966 -1.802) 4.356 ======================= Grid point 154 (52/120) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 9.127 15.659 8.758) 20.130 1.195 ( 11.836 16.500 10.511) 22.865 1.656 ( 9.370 8.607 -13.087) 18.252 1.755 ( 6.503 8.926 -16.066) 19.496 2.086 ( 13.620 28.290 15.300) 34.927 2.305 ( 0.416 4.889 9.328) 10.540 2.414 ( 3.239 11.203 11.972) 16.713 2.599 ( -1.662 4.235 -3.016) 5.459 2.678 ( -4.144 4.486 -1.918) 6.402 2.725 ( -3.555 5.231 -3.838) 7.399 2.880 ( -4.256 12.823 4.082) 14.114 2.890 ( 2.168 15.149 -3.091) 15.613 3.001 ( -2.050 0.719 3.939) 4.499 3.121 ( -5.107 9.303 -0.501) 10.625 3.210 ( 5.072 12.285 -16.194) 20.950 3.276 ( -0.974 12.292 -6.607) 13.989 3.444 ( -3.101 8.109 -1.600) 8.828 3.499 ( -4.614 -0.196 -5.679) 7.320 3.777 ( 6.930 -0.089 2.381) 7.328 3.919 ( 5.103 -1.224 -2.648) 5.878 4.401 ( 0.294 0.907 20.251) 20.274 4.561 ( -3.297 -4.550 1.271) 5.761 4.610 ( -5.308 -5.100 -0.279) 7.366 5.020 ( -3.580 -5.268 -7.936) 10.175 6.318 ( 2.010 -2.537 18.267) 18.551 6.360 ( 2.132 -3.023 14.195) 14.669 6.598 ( 2.882 10.874 0.415) 11.257 6.641 ( 5.493 5.741 -1.651) 8.115 6.725 ( 5.799 -3.245 0.849) 6.699 7.096 ( 12.683 4.605 0.528) 13.504 7.150 ( 11.517 3.276 -0.031) 11.974 7.488 ( 8.262 11.479 6.113) 15.408 7.729 ( -3.601 6.637 -23.709) 24.883 8.093 ( 13.569 1.550 -24.504) 28.053 8.720 ( 1.666 -6.307 9.394) 11.437 8.831 ( 0.413 -9.617 0.886) 9.666 9.570 ( 8.902 0.358 19.112) 21.086 9.861 ( -0.662 2.840 -4.062) 5.000 9.933 ( -1.678 4.797 1.807) 5.394 10.338 ( 0.105 0.072 -9.010) 9.011 10.656 ( 2.868 13.468 6.737) 15.330 10.859 ( 9.228 20.637 -2.810) 22.781 11.563 ( -4.004 -20.661 3.041) 21.264 11.733 ( -3.473 -17.241 -3.712) 17.974 12.093 ( -2.592 -7.199 8.327) 11.309 12.733 ( -4.118 9.443 -20.455) 22.903 13.703 ( -8.128 -2.634 8.933) 12.361 13.916 ( -8.389 -2.985 -2.046) 9.136 ======================= Grid point 155 (53/120) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 14.308 11.373 7.319) 19.689 1.465 ( 14.194 12.710 9.496) 21.288 1.842 ( 8.874 7.669 -13.369) 17.784 1.940 ( 9.768 6.023 -11.871) 16.511 2.332 ( 1.793 3.535 7.780) 8.731 2.399 ( 9.473 7.826 7.352) 14.320 2.505 ( 2.513 10.183 1.678) 10.622 2.525 ( -3.175 6.743 7.603) 10.647 2.634 ( 0.370 5.021 -1.948) 5.398 2.670 ( 4.108 13.514 0.733) 14.143 2.762 ( -6.060 12.571 2.705) 14.215 2.901 ( -4.508 10.294 0.840) 11.269 2.907 ( -4.711 6.667 -3.838) 9.021 3.034 ( -2.346 8.244 3.832) 9.389 3.204 ( -3.687 7.307 -2.308) 8.504 3.364 ( -2.687 5.405 -1.121) 6.139 3.391 ( 9.463 13.573 -17.557) 24.125 3.447 ( -1.018 1.349 -5.187) 5.456 3.937 ( 7.938 -0.402 1.539) 8.096 4.015 ( 3.782 -0.427 -1.110) 3.965 4.389 ( -3.642 -0.421 10.810) 11.414 4.425 ( -8.482 -1.258 4.289) 9.588 4.502 ( -4.039 -2.862 1.367) 5.136 4.915 ( -6.628 -4.561 -6.283) 10.209 6.351 ( 1.289 -3.540 11.630) 12.225 6.396 ( 0.913 -2.593 13.471) 13.748 6.685 ( 5.471 11.194 0.799) 12.485 6.814 ( 10.243 7.717 1.656) 12.932 6.837 ( 4.383 -0.636 0.984) 4.537 7.232 ( -0.492 7.135 5.062) 8.762 7.355 ( 11.303 7.086 -0.776) 13.363 7.670 ( -0.724 5.562 -18.227) 19.071 7.891 ( 23.899 3.345 2.862) 24.302 8.359 ( 11.569 -0.904 -17.288) 20.822 8.784 ( 2.909 -6.725 4.140) 8.416 8.842 ( 1.717 -9.503 -0.066) 9.658 9.752 ( 6.450 6.208 8.259) 12.180 9.837 ( -1.522 3.616 -2.390) 4.594 9.921 ( 2.996 -3.522 3.610) 5.866 10.341 ( -0.564 3.923 -9.102) 9.927 10.754 ( 6.151 9.710 9.033) 14.620 11.074 ( 9.684 15.078 -5.210) 18.662 11.450 ( -6.481 -16.656 4.090) 18.335 11.680 ( -0.833 -15.399 -6.191) 16.618 12.058 ( 1.299 -5.654 11.762) 13.115 12.683 ( 0.442 4.779 -15.223) 15.961 13.493 ( -12.454 -0.318 6.120) 13.880 13.680 ( -14.221 -1.361 -2.263) 14.464 ======================= Grid point 156 (54/120) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 15.173 8.499 5.403) 18.211 1.766 ( 15.101 10.156 6.415) 19.296 2.014 ( 6.814 6.093 -10.255) 13.737 2.122 ( 8.695 5.526 -7.933) 13.003 2.248 ( -9.952 4.303 1.859) 11.000 2.376 ( -6.791 4.389 -0.955) 8.142 2.443 ( -6.388 7.986 6.452) 12.091 2.505 ( 0.480 6.050 0.996) 6.151 2.611 ( -3.697 9.893 -0.423) 10.570 2.718 ( 1.341 7.277 0.173) 7.401 2.769 ( -1.283 4.374 1.196) 4.713 2.817 ( -5.030 6.234 0.426) 8.022 2.982 ( 5.092 4.465 4.778) 8.288 3.032 ( 4.436 9.436 1.666) 10.559 3.164 ( 7.882 10.465 4.647) 13.901 3.359 ( 2.123 6.350 -3.465) 7.539 3.424 ( -1.227 4.643 -5.120) 7.020 3.605 ( 9.647 10.151 -10.887) 17.738 4.000 ( -6.427 0.879 -0.916) 6.551 4.050 ( -1.757 1.119 -1.047) 2.331 4.229 ( -1.987 -0.685 4.041) 4.555 4.326 ( -4.536 0.811 1.185) 4.758 4.481 ( 2.201 -0.411 6.439) 6.817 4.758 ( -8.502 -3.499 -3.644) 9.890 6.371 ( 0.793 -4.898 9.169) 10.425 6.400 ( -0.375 -3.829 10.657) 11.330 6.791 ( 4.553 10.930 0.948) 11.878 6.885 ( 0.393 4.978 0.352) 5.006 7.018 ( 8.889 8.608 4.708) 13.240 7.209 ( -1.542 7.893 8.234) 11.510 7.541 ( 6.758 8.202 -3.607) 11.223 7.655 ( -0.655 3.514 -12.477) 12.979 8.329 ( 17.263 0.457 -0.627) 17.281 8.540 ( 5.746 -1.194 -10.086) 11.669 8.796 ( -0.191 -8.352 0.182) 8.356 8.887 ( 0.168 -7.999 -1.934) 8.232 9.805 ( 0.538 6.406 0.057) 6.429 9.839 ( 1.962 5.835 1.783) 6.409 10.058 ( 8.072 -5.479 0.992) 9.806 10.303 ( -3.140 1.722 -7.259) 8.094 10.864 ( 4.599 3.550 7.979) 9.870 11.144 ( -4.874 -1.781 -4.026) 6.568 11.385 ( 3.220 -0.288 5.772) 6.615 11.644 ( -4.421 -7.184 -5.345) 9.986 12.264 ( 19.143 -2.967 10.075) 21.835 12.775 ( 8.446 -1.338 -10.766) 13.749 13.185 ( -18.046 0.875 4.330) 18.579 13.362 ( -16.300 -1.184 -2.856) 16.591 ======================= Grid point 157 (55/120) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -12.430 6.193 1.952) 14.024 1.951 ( 12.430 6.193 1.952) 14.024 2.054 ( -10.746 7.289 2.561) 13.235 2.054 ( 10.746 7.289 2.561) 13.235 2.264 ( -3.880 4.761 -5.391) 8.173 2.264 ( 3.880 4.761 -5.391) 8.173 2.388 ( -6.591 10.397 -2.250) 12.514 2.388 ( 6.591 10.397 -2.250) 12.514 2.660 ( -5.951 8.761 3.549) 11.170 2.660 ( 5.951 8.761 3.549) 11.170 2.780 ( -1.556 1.442 -0.324) 2.146 2.780 ( 1.556 1.442 -0.324) 2.146 3.008 ( -2.001 3.178 4.379) 5.768 3.008 ( 2.001 3.178 4.379) 5.768 3.385 ( -2.978 5.546 -5.140) 8.127 3.385 ( 2.978 5.546 -5.140) 8.127 3.561 ( -16.764 9.341 3.753) 19.554 3.561 ( 16.764 9.341 3.753) 19.554 3.937 ( -6.661 4.458 -6.796) 10.508 3.937 ( 6.661 4.458 -6.796) 10.508 4.264 ( -2.175 0.133 3.416) 4.052 4.264 ( 2.175 0.133 3.416) 4.052 4.587 ( -7.656 -1.874 0.518) 7.899 4.587 ( 7.656 -1.874 0.518) 7.899 6.387 ( -0.770 -5.080 9.169) 10.510 6.387 ( 0.770 -5.080 9.169) 10.510 6.863 ( -2.407 9.017 0.224) 9.336 6.863 ( 2.407 9.017 0.224) 9.336 7.154 ( -4.395 8.717 7.440) 12.274 7.154 ( 4.395 8.717 7.440) 12.274 7.630 ( -2.301 5.864 -7.130) 9.514 7.630 ( 2.301 5.864 -7.130) 9.514 8.559 ( -4.943 -1.186 -3.658) 6.263 8.559 ( 4.943 -1.186 -3.658) 6.263 8.831 ( -4.031 -8.531 -3.731) 10.147 8.831 ( 4.031 -8.531 -3.731) 10.147 9.839 ( -1.906 8.338 2.054) 8.796 9.839 ( 1.906 8.338 2.054) 8.796 10.209 ( -6.269 -5.074 -4.468) 9.220 10.209 ( 6.269 -5.074 -4.468) 9.220 10.984 ( -7.878 -2.474 3.128) 8.830 10.984 ( 7.878 -2.474 3.128) 8.830 11.516 ( -7.379 0.903 0.530) 7.453 11.516 ( 7.379 0.903 0.530) 7.453 12.722 ( -22.599 -1.516 4.445) 23.082 12.722 ( 22.599 -1.516 4.445) 23.082 13.047 ( -13.468 -1.241 -5.025) 14.428 13.047 ( 13.468 -1.241 -5.025) 14.428 ======================= Grid point 162 (56/120) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 18.614 3.914) 19.021 1.412 ( 0.000 19.782 5.664) 20.576 1.780 ( 0.000 13.417 -9.147) 16.238 1.848 ( 0.000 7.203 -16.312) 17.832 2.428 ( 0.000 10.840 8.811) 13.969 2.482 ( 0.000 15.129 9.558) 17.895 2.574 ( 0.000 8.438 14.053) 16.392 2.709 ( 0.000 5.262 -3.868) 6.531 2.806 ( 0.000 4.085 -1.523) 4.360 2.870 ( 0.000 3.145 -2.073) 3.766 3.022 ( 0.000 6.696 5.864) 8.901 3.175 ( 0.000 14.921 -3.131) 15.246 3.203 ( 0.000 13.884 -0.253) 13.887 3.335 ( 0.000 4.848 -7.280) 8.746 3.378 ( 0.000 9.707 4.767) 10.814 3.593 ( 0.000 4.206 -2.523) 4.905 3.600 ( 0.000 18.037 -10.270) 20.756 3.691 ( 0.000 7.931 -1.974) 8.173 3.777 ( 0.000 10.203 0.364) 10.209 3.806 ( 0.000 -1.196 -6.474) 6.583 4.405 ( 0.000 -2.501 9.817) 10.131 4.491 ( 0.000 -1.904 9.249) 9.443 4.543 ( 0.000 -7.352 -1.084) 7.431 4.937 ( 0.000 -6.376 -6.076) 8.807 6.223 ( 0.000 -3.276 24.473) 24.691 6.317 ( 0.000 1.625 7.978) 8.142 6.498 ( 0.000 -6.200 -0.720) 6.242 6.785 ( 0.000 11.828 -0.066) 11.828 6.805 ( 0.000 9.764 0.513) 9.777 7.018 ( 0.000 4.094 0.967) 4.206 7.060 ( 0.000 4.726 -0.760) 4.787 7.700 ( 0.000 12.506 -2.689) 12.792 7.852 ( 0.000 0.475 -32.359) 32.362 8.062 ( 0.000 9.223 -7.920) 12.157 8.629 ( 0.000 -1.972 3.449) 3.973 8.676 ( 0.000 -6.181 0.667) 6.216 9.460 ( 0.000 0.569 24.122) 24.129 9.926 ( 0.000 3.060 -4.272) 5.255 10.013 ( 0.000 -2.565 -0.760) 2.675 10.288 ( 0.000 -3.253 -8.444) 9.048 10.884 ( 0.000 3.746 9.359) 10.081 11.159 ( 0.000 -16.666 0.846) 16.688 11.171 ( 0.000 13.615 -0.738) 13.635 11.388 ( 0.000 -14.906 -12.642) 19.545 12.034 ( 0.000 -2.053 18.574) 18.687 12.917 ( 0.000 3.716 -20.859) 21.187 13.725 ( 0.000 -2.652 8.458) 8.864 13.921 ( 0.000 -4.444 -1.733) 4.770 ======================= Grid point 163 (57/120) ======================= q-point: ( 0.12 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 4.906 17.208 3.633) 18.259 1.530 ( 8.221 17.342 6.579) 20.288 1.837 ( 5.038 9.368 -12.084) 16.098 1.916 ( 6.298 8.430 -12.598) 16.415 2.423 ( -1.058 7.365 7.381) 10.480 2.480 ( 1.260 10.672 10.155) 14.785 2.636 ( 3.907 8.946 8.859) 13.182 2.685 ( -1.798 4.764 -0.955) 5.181 2.758 ( -4.000 4.047 -1.687) 5.935 2.868 ( 0.719 5.448 -0.322) 5.505 3.014 ( -0.883 8.053 5.800) 9.964 3.167 ( -4.011 14.002 0.819) 14.588 3.191 ( 0.292 13.786 -3.218) 14.159 3.334 ( -2.833 10.898 3.865) 11.905 3.364 ( 2.535 5.775 -8.315) 10.437 3.486 ( -7.811 1.799 -1.565) 8.167 3.590 ( -3.629 10.770 -8.756) 14.347 3.657 ( -0.545 15.936 -3.894) 16.414 3.808 ( 6.390 3.830 -2.004) 7.715 3.925 ( 6.240 2.770 -1.783) 7.056 4.425 ( 1.268 -0.293 9.265) 9.356 4.484 ( -0.959 -1.740 5.362) 5.718 4.499 ( -3.869 -5.427 1.436) 6.818 4.909 ( -2.821 -5.790 -5.693) 8.596 6.281 ( 3.941 -1.917 22.283) 22.710 6.331 ( 1.265 0.933 7.544) 7.706 6.579 ( 7.158 -5.559 0.583) 9.082 6.835 ( 4.609 12.258 -0.392) 13.102 6.847 ( 4.687 9.707 0.038) 10.780 7.183 ( 13.827 4.103 1.146) 14.468 7.225 ( 13.184 4.543 -0.721) 13.964 7.710 ( 3.236 10.830 0.630) 11.320 7.827 ( -1.890 3.827 -24.582) 24.949 8.148 ( 7.945 4.192 -14.271) 16.863 8.650 ( 2.148 -1.504 2.386) 3.545 8.678 ( 0.140 -6.273 0.574) 6.301 9.572 ( 10.681 0.351 21.966) 24.427 9.905 ( -3.397 2.072 -2.980) 4.972 9.964 ( -4.491 -3.483 -1.734) 5.942 10.305 ( 3.341 -2.947 -9.727) 10.699 10.847 ( -3.395 -3.178 9.860) 10.901 11.148 ( -1.008 -10.247 -0.591) 10.314 11.233 ( 3.342 1.269 -0.463) 3.605 11.384 ( 1.915 -4.021 -11.232) 12.083 12.014 ( -1.430 -0.986 18.414) 18.496 12.868 ( -4.263 4.507 -19.402) 20.370 13.663 ( -5.848 -1.533 7.713) 9.800 13.852 ( -6.722 -3.507 -1.743) 7.780 ======================= Grid point 164 (58/120) ======================= q-point: ( 0.25 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 10.573 12.817 2.863) 16.860 1.724 ( 10.624 13.645 6.828) 18.592 1.968 ( 7.464 5.758 -12.374) 15.556 2.069 ( 7.966 7.097 -8.922) 13.907 2.407 ( -0.348 4.493 6.058) 7.550 2.498 ( -1.067 3.461 4.210) 5.554 2.610 ( -4.711 4.881 -0.027) 6.783 2.669 ( -0.686 4.439 3.003) 5.404 2.712 ( -0.261 4.410 1.621) 4.705 2.910 ( -0.576 -0.803 4.829) 4.929 3.001 ( 1.496 12.683 3.593) 13.267 3.034 ( -8.132 12.335 0.971) 14.806 3.151 ( -4.543 12.488 -2.340) 13.493 3.283 ( -9.063 4.854 -1.458) 10.384 3.306 ( 1.206 13.952 6.017) 15.242 3.454 ( 3.105 5.499 -8.445) 10.545 3.522 ( -0.097 5.861 -5.580) 8.093 3.721 ( 5.482 17.498 -5.404) 19.116 3.957 ( 7.486 3.103 -1.933) 8.331 4.033 ( 4.110 2.646 -1.429) 5.093 4.359 ( -7.275 -1.917 2.312) 7.871 4.453 ( -2.422 2.571 2.411) 4.277 4.469 ( 1.209 1.388 8.151) 8.356 4.824 ( -5.437 -4.389 -4.263) 8.185 6.322 ( 0.241 0.538 10.293) 10.310 6.361 ( 0.984 -0.945 12.985) 13.057 6.750 ( 8.721 -3.609 2.508) 9.766 6.957 ( 6.309 12.735 -0.157) 14.213 6.990 ( 8.923 8.929 -0.251) 12.626 7.371 ( 1.060 7.304 6.389) 9.762 7.481 ( 13.053 6.015 -3.914) 14.895 7.775 ( -1.558 4.906 -17.256) 18.007 7.984 ( 20.364 6.126 2.772) 21.446 8.347 ( 10.248 -0.242 -14.869) 18.060 8.672 ( -0.343 -5.774 1.356) 5.940 8.722 ( 3.998 -2.389 0.054) 4.658 9.791 ( -3.550 -2.497 -0.214) 4.346 9.854 ( 4.020 -4.362 6.856) 9.066 9.865 ( 4.668 0.885 3.228) 5.744 10.382 ( 0.318 -0.603 -9.747) 9.770 10.790 ( -0.439 -11.963 9.321) 15.172 11.088 ( -3.689 -13.744 -4.649) 14.970 11.283 ( 3.274 -2.685 2.914) 5.140 11.500 ( 6.200 5.530 -7.485) 11.182 12.029 ( 5.171 3.592 16.401) 17.568 12.782 ( -2.931 4.805 -16.003) 16.964 13.493 ( -10.917 0.290 5.905) 12.415 13.652 ( -12.672 -1.517 -1.604) 12.863 ======================= Grid point 165 (59/120) ======================= q-point: ( 0.38 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 12.682 8.993 1.531) 15.622 1.958 ( 12.184 9.672 5.271) 16.424 2.108 ( 4.992 4.321 -9.010) 11.171 2.234 ( 8.242 5.510 -5.775) 11.473 2.349 ( -6.660 5.710 1.008) 8.831 2.431 ( -4.257 2.544 -0.914) 5.043 2.568 ( 0.638 3.717 5.602) 6.754 2.622 ( -4.867 5.499 1.238) 7.447 2.711 ( 0.284 1.777 -0.791) 1.966 2.808 ( -6.377 1.703 -0.477) 6.617 2.902 ( -3.491 8.724 4.744) 10.527 2.983 ( -8.217 7.313 3.876) 11.663 3.050 ( -0.488 3.475 3.767) 5.148 3.118 ( -5.998 0.627 1.653) 6.254 3.433 ( 7.622 12.794 -2.673) 15.131 3.521 ( 2.244 6.584 -9.056) 11.419 3.572 ( 6.405 14.265 1.385) 15.698 3.850 ( 5.655 13.561 -2.544) 14.912 4.038 ( -2.032 3.116 -2.691) 4.591 4.096 ( 1.560 4.041 -3.225) 5.401 4.238 ( -1.234 2.183 4.213) 4.902 4.388 ( -3.811 5.624 -0.900) 6.853 4.501 ( 2.127 2.925 6.474) 7.416 4.697 ( -6.664 -2.201 -1.706) 7.222 6.318 ( -0.138 -0.528 8.079) 8.097 6.356 ( -1.225 -0.659 10.732) 10.822 6.911 ( 6.846 0.580 0.603) 6.897 7.044 ( 1.608 10.743 -1.240) 10.933 7.175 ( 8.190 7.689 2.864) 11.593 7.357 ( -1.531 8.002 9.417) 12.452 7.686 ( 6.843 6.326 -9.291) 13.159 7.771 ( 1.345 8.456 -7.486) 11.373 8.353 ( 13.475 1.715 -0.470) 13.592 8.524 ( 6.714 -0.229 -9.090) 11.303 8.653 ( -1.509 -6.509 1.041) 6.762 8.775 ( -0.061 -3.260 -2.180) 3.922 9.787 ( 5.051 -9.158 -1.401) 10.552 9.821 ( 1.939 -3.802 -2.469) 4.931 10.054 ( 2.269 3.095 4.581) 5.975 10.260 ( -10.450 -7.987 -4.980) 14.064 10.840 ( 5.205 -6.343 6.913) 10.729 11.054 ( -0.987 -4.808 -2.685) 5.595 11.377 ( 5.615 -2.737 3.935) 7.383 11.545 ( -1.389 -2.178 -2.673) 3.717 12.290 ( 19.595 6.266 8.693) 22.334 12.793 ( 4.331 2.776 -11.445) 12.548 13.214 ( -16.423 1.981 4.560) 17.159 13.354 ( -15.849 0.282 -1.726) 15.945 ======================= Grid point 166 (60/120) ======================= q-point: (-0.50 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -8.879 5.274 -1.803) 10.484 2.071 ( 8.879 5.274 -1.803) 10.484 2.196 ( -8.589 7.812 2.409) 11.858 2.196 ( 8.589 7.812 2.409) 11.858 2.355 ( -2.419 4.362 -2.517) 5.587 2.355 ( 2.419 4.362 -2.517) 5.587 2.550 ( -4.387 5.876 -1.167) 7.425 2.550 ( 4.387 5.876 -1.167) 7.425 2.743 ( -4.503 -0.118 0.305) 4.515 2.743 ( 4.503 -0.118 0.305) 4.515 2.859 ( -1.775 5.928 2.904) 6.836 2.859 ( 1.775 5.928 2.904) 6.836 3.053 ( -0.987 1.446 6.480) 6.713 3.053 ( 0.987 1.446 6.480) 6.713 3.519 ( -1.844 7.413 -8.677) 11.560 3.519 ( 1.844 7.413 -8.677) 11.560 3.787 ( -11.085 13.158 4.201) 17.710 3.787 ( 11.085 13.158 4.201) 17.710 4.050 ( -4.318 6.418 -3.827) 8.631 4.050 ( 4.318 6.418 -3.827) 8.631 4.304 ( -4.482 4.578 0.055) 6.407 4.304 ( 4.482 4.578 0.055) 6.407 4.572 ( -5.087 1.048 2.178) 5.632 4.572 ( 5.087 1.048 2.178) 5.632 6.328 ( -1.117 -0.938 8.820) 8.940 6.328 ( 1.117 -0.938 8.820) 8.940 7.020 ( -3.647 6.029 -1.914) 7.301 7.020 ( 3.647 6.029 -1.914) 7.301 7.302 ( -4.269 7.277 7.690) 11.416 7.302 ( 4.269 7.277 7.690) 11.416 7.776 ( -2.110 8.884 -7.686) 11.936 7.776 ( 2.110 8.884 -7.686) 11.936 8.535 ( -5.500 -1.952 0.203) 5.839 8.535 ( 5.500 -1.952 0.203) 5.839 8.703 ( -6.002 -3.828 -5.663) 9.097 8.703 ( 6.002 -3.828 -5.663) 9.097 9.906 ( -1.879 -2.055 0.831) 2.906 9.906 ( 1.879 -2.055 0.831) 2.906 10.045 ( -6.353 -10.585 -3.655) 12.875 10.045 ( 6.353 -10.585 -3.655) 12.875 10.978 ( -6.523 1.357 3.666) 7.605 10.978 ( 6.523 1.357 3.666) 7.605 11.484 ( -4.297 -4.526 0.356) 6.251 11.484 ( 4.297 -4.526 0.356) 6.251 12.729 ( -19.789 2.693 1.804) 20.053 12.729 ( 19.789 2.693 1.804) 20.053 13.059 ( -10.436 2.168 -2.428) 10.932 13.059 ( 10.436 2.168 -2.428) 10.932 ======================= Grid point 171 (61/120) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 16.998 -1.075) 17.032 1.782 ( 0.000 17.994 3.976) 18.428 1.989 ( 0.000 7.554 -12.384) 14.506 2.055 ( 0.000 14.574 -5.842) 15.701 2.604 ( 0.000 7.597 5.472) 9.362 2.663 ( 0.000 5.472 5.616) 7.841 2.688 ( 0.000 3.253 13.007) 13.408 2.819 ( 0.000 5.707 -3.143) 6.516 2.844 ( 0.000 -2.275 2.401) 3.308 2.903 ( 0.000 5.723 -1.958) 6.048 3.227 ( 0.000 5.223 7.311) 8.985 3.341 ( 0.000 0.796 -6.233) 6.283 3.425 ( 0.000 11.413 -5.341) 12.601 3.490 ( 0.000 10.450 -0.713) 10.474 3.498 ( 0.000 5.723 3.636) 6.780 3.679 ( 0.000 -4.426 -3.500) 5.643 3.787 ( 0.000 14.427 -0.614) 14.440 3.850 ( 0.000 7.782 2.523) 8.181 4.011 ( 0.000 12.388 -1.468) 12.475 4.035 ( 0.000 18.026 -10.923) 21.077 4.269 ( 0.000 -8.906 3.050) 9.414 4.381 ( 0.000 -9.100 -1.394) 9.206 4.560 ( 0.000 6.689 9.621) 11.718 4.829 ( 0.000 -3.995 -3.116) 5.067 6.170 ( 0.000 -2.058 26.165) 26.246 6.390 ( 0.000 -4.846 2.720) 5.557 6.398 ( 0.000 6.813 3.532) 7.674 6.994 ( 0.000 9.387 0.198) 9.389 7.007 ( 0.000 10.531 -0.654) 10.551 7.095 ( 0.000 3.761 1.027) 3.899 7.147 ( 0.000 4.068 -0.904) 4.167 7.800 ( 0.000 -0.914 -39.420) 39.431 7.996 ( 0.000 12.831 3.858) 13.399 8.226 ( 0.000 7.639 -3.609) 8.448 8.579 ( 0.000 -3.989 0.438) 4.013 8.615 ( 0.000 0.239 -1.169) 1.193 9.496 ( 0.000 3.073 21.571) 21.788 9.811 ( 0.000 -18.002 3.208) 18.285 9.945 ( 0.000 -3.040 -7.240) 7.852 10.227 ( 0.000 -3.008 -7.774) 8.336 10.503 ( 0.000 -25.105 5.834) 25.774 10.946 ( 0.000 -15.537 -13.527) 20.601 11.254 ( 0.000 10.987 8.090) 13.645 11.561 ( 0.000 11.076 -2.876) 11.444 12.061 ( 0.000 5.718 17.949) 18.838 12.944 ( 0.000 -0.777 -18.770) 18.786 13.685 ( 0.000 -1.487 6.934) 7.092 13.835 ( 0.000 -4.244 -0.866) 4.331 ======================= Grid point 172 (62/120) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 2.122 16.517 0.164) 16.654 1.857 ( 5.433 16.059 3.508) 17.312 2.003 ( 2.184 7.933 -11.680) 14.287 2.110 ( 4.339 11.306 -6.606) 13.794 2.578 ( -3.120 7.961 4.931) 9.871 2.604 ( -2.287 3.832 8.620) 9.707 2.740 ( 1.332 2.613 6.325) 6.972 2.775 ( -2.596 3.778 0.124) 4.586 2.834 ( -2.567 1.680 -0.178) 3.072 2.871 ( -1.163 1.964 1.599) 2.787 3.202 ( -2.718 2.998 5.012) 6.442 3.366 ( 1.973 2.972 -6.286) 7.228 3.407 ( -6.685 7.208 -1.674) 9.972 3.456 ( -1.663 7.375 1.899) 7.795 3.482 ( -0.265 7.907 -5.400) 9.578 3.630 ( -0.021 5.736 1.780) 6.006 3.722 ( -9.096 8.884 -3.479) 13.182 3.886 ( 2.957 6.421 4.642) 8.457 3.983 ( 2.488 8.689 -1.545) 9.169 4.087 ( 4.173 15.301 -8.488) 17.989 4.369 ( 0.198 -5.936 0.216) 5.943 4.381 ( 5.866 -1.399 -0.382) 6.042 4.569 ( 0.828 7.125 8.984) 11.496 4.816 ( -1.415 -2.982 -2.721) 4.277 6.246 ( 5.954 -1.372 23.372) 24.158 6.400 ( -0.137 5.966 3.653) 6.997 6.478 ( 7.660 -4.671 3.492) 9.628 7.028 ( 3.830 8.695 -0.031) 9.501 7.071 ( 5.721 11.317 -1.325) 12.750 7.257 ( 13.953 3.640 1.596) 14.508 7.317 ( 14.701 4.489 -1.178) 15.416 7.817 ( 1.351 0.452 -33.187) 33.218 7.981 ( 0.276 11.941 4.390) 12.726 8.249 ( 2.740 5.733 -5.594) 8.466 8.579 ( -0.065 -4.100 0.693) 4.158 8.645 ( 2.798 0.653 -1.843) 3.413 9.594 ( 9.760 2.002 20.439) 22.738 9.764 ( -3.872 -16.711 1.098) 17.189 9.918 ( -5.915 -2.568 -5.906) 8.744 10.238 ( 4.780 -3.735 -8.575) 10.504 10.438 ( -5.904 -25.384 5.837) 26.707 10.885 ( -5.964 -16.473 -13.654) 22.212 11.284 ( 2.750 9.507 8.953) 13.346 11.598 ( 2.605 8.535 -1.338) 9.023 12.079 ( 2.485 8.269 15.571) 17.805 12.914 ( -2.710 0.323 -17.940) 18.147 13.641 ( -4.432 -0.852 6.517) 7.927 13.782 ( -5.225 -3.522 -0.776) 6.349 ======================= Grid point 173 (63/120) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 5.905 12.881 0.307) 14.174 1.980 ( 6.527 11.806 1.355) 13.558 2.090 ( 6.176 7.595 -8.135) 12.728 2.208 ( 5.196 6.957 -5.645) 10.357 2.508 ( -3.145 5.587 4.052) 7.584 2.554 ( -2.996 2.882 3.746) 5.596 2.708 ( -3.030 4.120 -1.450) 5.316 2.728 ( -3.057 2.447 3.659) 5.359 2.779 ( -1.692 2.063 3.512) 4.411 2.868 ( -0.468 -2.212 4.980) 5.469 3.118 ( -4.968 0.873 3.931) 6.395 3.234 ( -9.620 6.836 1.008) 11.844 3.277 ( -9.903 0.925 0.927) 9.990 3.372 ( -8.426 7.519 -2.753) 11.623 3.501 ( 0.252 -0.855 -7.299) 7.353 3.593 ( 2.265 8.439 -10.434) 13.609 3.717 ( 7.112 13.704 6.487) 16.747 3.968 ( 4.389 7.270 6.915) 10.951 4.066 ( 4.281 6.045 -3.444) 8.169 4.178 ( 4.170 12.645 -7.830) 15.446 4.343 ( -1.424 1.524 3.145) 3.774 4.494 ( 3.757 3.639 -2.377) 5.745 4.589 ( 1.084 8.394 7.222) 11.126 4.770 ( -3.016 -0.261 -1.476) 3.368 6.348 ( 3.152 0.773 15.365) 15.704 6.382 ( -1.552 4.366 4.206) 6.258 6.666 ( 10.242 -4.552 4.938) 12.247 7.141 ( 5.926 5.818 -1.033) 8.368 7.204 ( 6.701 12.177 -1.400) 13.969 7.509 ( 5.981 6.486 6.695) 11.075 7.602 ( 12.130 6.672 -6.604) 15.338 7.860 ( 3.248 4.002 -15.805) 16.624 8.122 ( 14.379 7.844 2.600) 16.585 8.355 ( 7.394 1.081 -10.003) 12.486 8.574 ( -0.372 -4.240 2.213) 4.797 8.716 ( 3.717 1.380 -1.796) 4.353 9.664 ( -4.800 -12.914 -1.410) 13.849 9.722 ( -8.814 -5.389 -3.069) 10.777 9.902 ( 16.989 1.546 13.231) 21.589 10.243 ( -9.669 -17.172 2.679) 19.888 10.471 ( 11.284 -10.341 -5.498) 16.263 10.747 ( -3.648 -19.040 -13.172) 23.438 11.345 ( 2.411 6.206 10.281) 12.248 11.610 ( -2.259 2.627 2.243) 4.127 12.200 ( 9.888 12.356 9.012) 18.212 12.855 ( -2.222 2.463 -15.304) 15.660 13.501 ( -9.412 0.464 5.518) 10.920 13.621 ( -10.553 -1.676 -0.514) 10.698 ======================= Grid point 174 (64/120) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 8.504 7.464 -0.026) 11.315 2.115 ( 5.964 5.267 -3.234) 8.589 2.229 ( 6.710 9.204 -1.947) 11.556 2.328 ( 6.654 3.923 -3.278) 8.391 2.450 ( -2.946 4.360 0.907) 5.339 2.485 ( -3.610 2.851 -0.962) 4.699 2.639 ( -2.381 4.304 4.149) 6.435 2.681 ( -2.722 0.973 1.449) 3.234 2.737 ( -2.089 1.150 1.501) 2.818 2.810 ( -5.138 -1.184 2.428) 5.805 3.024 ( -5.849 0.811 5.670) 8.187 3.041 ( -6.569 2.868 4.447) 8.435 3.121 ( -5.425 0.813 2.778) 6.149 3.134 ( -9.364 3.176 -0.522) 9.902 3.571 ( 4.053 1.466 -10.435) 11.290 3.641 ( 1.235 6.018 -12.014) 13.493 3.883 ( 8.426 13.939 6.228) 17.438 4.054 ( 3.627 7.170 5.709) 9.857 4.116 ( 0.316 5.088 -0.667) 5.142 4.217 ( -1.314 5.680 -1.699) 6.072 4.357 ( 3.914 11.803 -1.117) 12.485 4.523 ( -1.011 7.577 -3.705) 8.495 4.615 ( 1.529 8.738 5.217) 10.291 4.704 ( -3.107 3.646 0.491) 4.816 6.349 ( -1.018 3.631 5.454) 6.631 6.371 ( -0.679 2.071 9.151) 9.407 6.878 ( 10.248 -3.326 2.639) 11.093 7.184 ( -2.372 2.224 -3.836) 5.029 7.346 ( 6.778 10.249 2.911) 12.628 7.530 ( -1.681 9.579 10.346) 14.199 7.816 ( 9.174 7.387 -11.708) 16.608 7.950 ( 4.647 9.434 -4.941) 11.620 8.368 ( 6.102 -0.636 -0.971) 6.211 8.508 ( 4.144 -4.337 -6.224) 8.644 8.578 ( 3.099 1.954 1.640) 4.014 8.769 ( 0.532 2.850 -2.109) 3.585 9.571 ( 0.729 -12.467 -0.451) 12.496 9.698 ( 4.622 -7.919 -3.273) 9.736 9.982 ( -11.495 -16.990 1.886) 20.600 10.104 ( -6.191 -0.488 -0.056) 6.210 10.671 ( 15.857 -9.961 2.581) 18.903 10.928 ( 14.586 -8.001 -9.017) 18.923 11.347 ( -2.748 0.115 8.731) 9.154 11.512 ( -6.815 -1.948 1.290) 7.204 12.471 ( 16.196 10.738 4.931) 20.048 12.861 ( 3.261 3.663 -10.464) 11.556 13.255 ( -14.342 2.103 4.777) 15.262 13.366 ( -13.797 0.733 -0.573) 13.828 ======================= Grid point 175 (65/120) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -4.375 2.759 -2.700) 5.834 2.145 ( 4.375 2.759 -2.700) 5.834 2.361 ( -5.590 8.196 -0.262) 9.925 2.361 ( 5.590 8.196 -0.262) 9.925 2.430 ( -1.587 3.501 -0.289) 3.854 2.430 ( 1.587 3.501 -0.289) 3.854 2.627 ( -2.571 2.325 1.999) 4.002 2.627 ( 2.571 2.325 1.999) 4.002 2.725 ( -1.665 -0.809 -0.041) 1.851 2.725 ( 1.665 -0.809 -0.041) 1.851 2.944 ( -0.806 2.484 3.044) 4.010 2.944 ( 0.806 2.484 3.044) 4.010 3.067 ( -0.855 0.270 5.531) 5.603 3.067 ( 0.855 0.270 5.531) 5.603 3.634 ( -1.886 3.415 -11.799) 12.427 3.634 ( 1.886 3.415 -11.799) 12.427 4.032 ( -5.505 10.817 4.301) 12.877 4.032 ( 5.505 10.817 4.301) 12.877 4.157 ( -3.680 4.592 2.257) 6.303 4.157 ( 3.680 4.592 2.257) 6.303 4.459 ( -4.849 10.938 -3.941) 12.597 4.459 ( 4.849 10.938 -3.941) 12.597 4.651 ( -2.099 7.172 2.771) 7.971 4.651 ( 2.099 7.172 2.771) 7.971 6.349 ( -0.906 2.935 6.731) 7.399 6.349 ( 0.906 2.935 6.731) 7.399 7.069 ( -8.122 -0.943 -1.850) 8.383 7.069 ( 8.122 -0.943 -1.850) 8.383 7.464 ( -4.685 9.314 7.944) 13.108 7.464 ( 4.685 9.314 7.944) 13.108 7.967 ( -4.186 10.535 -8.952) 14.444 7.967 ( 4.186 10.535 -8.952) 14.444 8.455 ( -4.638 -5.908 2.387) 7.881 8.455 ( 4.638 -5.908 2.387) 7.881 8.711 ( -5.916 4.112 -5.390) 8.998 8.711 ( 5.916 4.112 -5.390) 8.998 9.718 ( -11.068 -14.823 2.568) 18.677 9.718 ( 11.068 -14.823 2.568) 18.677 9.888 ( -11.029 -6.583 -4.828) 13.722 9.888 ( 11.029 -6.583 -4.828) 13.722 11.006 ( -11.253 0.926 3.646) 11.865 11.006 ( 11.253 0.926 3.646) 11.865 11.355 ( -7.264 -7.790 -1.192) 10.718 11.355 ( 7.264 -7.790 -1.192) 10.718 12.818 ( -15.023 5.785 0.954) 16.126 12.818 ( 15.023 5.785 0.954) 16.126 13.112 ( -8.113 2.784 -0.767) 8.612 13.112 ( 8.113 2.784 -0.767) 8.612 ======================= Grid point 180 (66/120) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.000 14.326 -4.577) 15.040 2.099 ( 0.000 13.101 -1.483) 13.185 2.157 ( 0.000 11.010 -3.391) 11.520 2.341 ( 0.000 14.560 -2.931) 14.852 2.651 ( 0.000 -2.277 2.376) 3.291 2.711 ( 0.000 -0.730 7.662) 7.697 2.747 ( 0.000 2.427 4.742) 5.327 2.901 ( 0.000 8.860 4.586) 9.976 2.915 ( 0.000 3.671 -1.214) 3.867 3.016 ( 0.000 5.209 -0.944) 5.294 3.184 ( 0.000 -6.366 7.609) 9.921 3.333 ( 0.000 -0.851 -3.389) 3.494 3.566 ( 0.000 -4.393 -6.803) 8.098 3.589 ( 0.000 4.129 -8.955) 9.861 3.648 ( 0.000 8.150 0.997) 8.210 3.664 ( 0.000 5.072 0.247) 5.078 3.985 ( 0.000 5.906 6.160) 8.534 4.041 ( 0.000 9.743 4.702) 10.818 4.088 ( 0.000 -8.691 2.881) 9.156 4.190 ( 0.000 -8.903 -1.375) 9.008 4.235 ( 0.000 8.895 -3.428) 9.533 4.332 ( 0.000 11.326 -7.345) 13.499 4.723 ( 0.000 9.420 3.454) 10.033 4.812 ( 0.000 2.637 -0.743) 2.740 6.144 ( 0.000 -0.595 27.448) 27.454 6.306 ( 0.000 -3.858 8.492) 9.327 6.586 ( 0.000 12.473 -1.745) 12.595 7.158 ( 0.000 3.299 0.225) 3.307 7.159 ( 0.000 7.004 -0.698) 7.039 7.186 ( 0.000 6.904 -0.135) 6.905 7.217 ( 0.000 3.418 -0.362) 3.437 7.757 ( 0.000 -3.625 -37.478) 37.653 8.244 ( 0.000 11.979 2.704) 12.280 8.357 ( 0.000 5.630 -1.059) 5.728 8.510 ( 0.000 -3.261 1.005) 3.412 8.628 ( 0.000 0.808 -2.909) 3.019 9.377 ( 0.000 -22.408 2.425) 22.539 9.590 ( 0.000 5.484 19.358) 20.120 9.683 ( 0.000 -23.097 -12.162) 26.103 10.116 ( 0.000 -6.498 0.740) 6.540 10.264 ( 0.000 -0.914 1.415) 1.685 10.704 ( 0.000 -10.170 -13.173) 16.642 11.434 ( 0.000 7.368 9.426) 11.963 11.667 ( 0.000 1.243 6.624) 6.739 12.246 ( 0.000 11.495 5.258) 12.640 12.893 ( 0.000 -4.258 -16.226) 16.775 13.665 ( 0.000 -0.643 5.482) 5.520 13.759 ( 0.000 -3.430 0.408) 3.454 ======================= Grid point 181 (67/120) ======================= q-point: ( 0.12 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.539 13.466 -2.489) 13.705 2.148 ( 0.855 12.970 1.442) 13.078 2.165 ( 3.775 9.606 -7.790) 12.931 2.341 ( -0.279 11.995 -3.667) 12.546 2.649 ( -0.535 -0.416 6.768) 6.802 2.671 ( -2.400 0.636 3.685) 4.443 2.759 ( -0.629 0.396 4.146) 4.212 2.840 ( -4.532 6.346 3.585) 8.583 2.887 ( -2.670 3.510 0.115) 4.412 2.959 ( -4.473 4.600 0.223) 6.420 3.161 ( -2.533 -4.751 4.669) 7.126 3.360 ( 2.665 -2.445 -3.831) 5.268 3.445 ( -7.947 -0.701 -4.619) 9.218 3.578 ( -8.440 3.812 2.395) 9.565 3.636 ( 2.038 4.482 -9.958) 11.108 3.691 ( -2.076 2.410 -1.660) 3.588 3.861 ( -6.758 3.156 3.865) 8.401 3.977 ( 1.973 2.710 2.209) 4.014 4.125 ( 3.545 6.166 5.018) 8.704 4.241 ( 3.303 -2.743 1.595) 4.580 4.395 ( 5.954 10.518 -6.278) 13.620 4.419 ( 9.951 4.874 -2.966) 11.471 4.734 ( 1.099 9.180 3.680) 9.951 4.823 ( 0.842 3.969 -0.604) 4.103 6.231 ( 7.127 -0.186 24.042) 25.077 6.392 ( 7.468 -3.885 8.043) 11.643 6.567 ( -1.892 10.816 -0.835) 11.012 7.165 ( 1.258 4.845 -1.044) 5.113 7.269 ( 7.260 8.827 -1.990) 11.601 7.326 ( 13.947 3.368 1.473) 14.423 7.392 ( 16.126 3.187 -0.541) 16.447 7.802 ( 4.567 -1.610 -32.226) 32.587 8.221 ( -1.028 12.020 4.061) 12.730 8.355 ( 0.128 4.699 -1.659) 4.985 8.507 ( -0.359 -3.403 1.413) 3.702 8.666 ( 3.581 1.212 -3.050) 4.857 9.376 ( -0.198 -20.513 1.665) 20.581 9.637 ( 3.482 -6.127 5.359) 8.853 9.687 ( 1.505 -11.941 -0.247) 12.038 10.133 ( -8.010 -5.493 7.975) 12.567 10.170 ( 2.853 -2.842 -6.278) 7.459 10.617 ( -8.396 -11.503 -13.232) 19.440 11.445 ( 0.821 6.584 10.109) 12.092 11.669 ( -0.458 0.342 7.352) 7.375 12.294 ( 4.884 11.994 3.621) 13.447 12.886 ( -0.666 -3.056 -15.624) 15.934 13.629 ( -3.661 -0.380 5.301) 6.453 13.718 ( -4.145 -2.990 0.517) 5.137 ======================= Grid point 182 (68/120) ======================= q-point: ( 0.25 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 1.816 11.268 -0.644) 11.432 2.160 ( 1.201 7.545 -3.446) 8.381 2.277 ( 6.224 10.029 -3.473) 12.304 2.339 ( 0.760 6.493 -3.256) 7.303 2.598 ( -3.318 3.935 5.415) 7.471 2.634 ( -3.806 4.173 2.433) 6.150 2.699 ( -2.276 -2.680 2.808) 4.499 2.776 ( -2.641 0.469 3.531) 4.434 2.821 ( -3.234 2.937 1.889) 4.760 2.869 ( -4.212 2.290 1.293) 4.965 3.085 ( -4.527 -3.105 2.848) 6.184 3.281 ( -7.886 1.136 -2.191) 8.263 3.339 ( -12.812 2.276 2.429) 13.237 3.428 ( -4.054 -4.968 -3.629) 7.367 3.450 ( -6.623 0.565 -2.994) 7.290 3.691 ( 1.358 1.334 -12.668) 12.811 3.924 ( 7.267 7.749 5.014) 11.747 4.065 ( 5.470 3.271 1.944) 6.663 4.196 ( 3.029 6.291 4.837) 8.494 4.292 ( 1.437 1.264 3.386) 3.890 4.520 ( 5.959 12.350 -4.312) 14.374 4.592 ( 6.602 6.068 -3.627) 9.672 4.765 ( 1.843 9.129 3.426) 9.924 4.836 ( 0.291 6.621 -0.270) 6.633 6.367 ( 5.155 1.304 14.235) 15.196 6.511 ( -2.818 8.460 1.059) 8.979 6.580 ( 10.038 -4.095 7.460) 13.160 7.192 ( 0.487 -0.902 -3.721) 3.860 7.424 ( 7.112 10.179 -1.449) 12.502 7.617 ( 11.320 4.650 2.128) 12.422 7.735 ( 13.560 6.378 -1.708) 15.082 7.939 ( 8.342 4.033 -12.204) 15.323 8.282 ( 7.377 7.961 1.057) 10.905 8.384 ( 3.030 1.694 -5.217) 6.266 8.509 ( 1.971 -1.838 3.650) 4.537 8.762 ( 5.641 2.863 -1.401) 6.479 9.375 ( 0.017 -15.227 -2.479) 15.428 9.548 ( -7.956 -14.337 -9.498) 18.948 9.859 ( -4.950 -8.585 10.072) 14.130 9.974 ( 13.138 -1.478 10.143) 16.664 10.345 ( -0.680 -6.850 -9.344) 11.606 10.417 ( 2.772 -13.082 -11.290) 17.501 11.449 ( -1.143 4.172 10.438) 11.299 11.620 ( -4.788 -0.895 6.862) 8.415 12.442 ( 9.371 11.427 1.592) 14.864 12.875 ( 0.177 -0.361 -13.221) 13.227 13.509 ( -8.337 0.283 4.875) 9.661 13.587 ( -8.689 -1.763 0.722) 8.896 ======================= Grid point 183 (69/120) ======================= q-point: ( 0.38 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.148 6.724 -0.094) 7.425 2.195 ( 1.729 3.765 -3.802) 5.623 2.381 ( 3.881 1.594 -0.402) 4.215 2.406 ( 4.922 6.410 -2.686) 8.517 2.536 ( -3.213 4.790 -0.377) 5.781 2.540 ( -2.774 3.571 0.303) 4.532 2.669 ( -1.900 -1.268 6.417) 6.811 2.726 ( -2.025 1.374 3.356) 4.153 2.762 ( -2.623 2.455 1.454) 3.876 2.783 ( -4.052 -0.084 1.471) 4.312 2.996 ( -3.691 -1.814 2.716) 4.929 3.090 ( -9.290 1.254 1.658) 9.519 3.151 ( -6.220 1.257 1.076) 6.437 3.168 ( -9.568 2.138 0.230) 9.807 3.537 ( 4.993 -4.361 -9.152) 11.301 3.690 ( -1.580 -1.442 -12.849) 13.026 4.077 ( 7.201 7.159 4.603) 11.149 4.168 ( 4.190 4.657 3.028) 6.958 4.237 ( 0.770 6.180 4.694) 7.799 4.292 ( -1.505 2.984 4.705) 5.771 4.628 ( 4.525 13.506 -3.561) 14.682 4.685 ( 2.559 8.969 -3.517) 9.968 4.801 ( 1.447 9.182 2.139) 9.538 4.834 ( -0.490 8.588 0.154) 8.603 6.428 ( 1.048 3.672 6.434) 7.482 6.457 ( -1.898 7.129 2.647) 7.838 6.797 ( 10.737 -4.695 4.217) 12.454 7.150 ( -4.915 -5.006 -5.036) 8.635 7.548 ( 5.369 10.058 3.643) 11.970 7.717 ( -0.780 9.201 10.823) 14.227 7.963 ( 11.255 6.674 -8.373) 15.535 8.123 ( 8.796 7.277 -1.737) 11.548 8.337 ( -2.539 -1.623 -2.519) 3.928 8.430 ( -0.581 -1.375 -3.410) 3.722 8.661 ( 9.846 5.096 0.177) 11.088 8.880 ( 3.828 7.839 -1.990) 8.948 9.310 ( -2.711 -13.997 -2.093) 14.410 9.525 ( 6.406 -10.499 -6.259) 13.800 9.647 ( -10.893 -14.417 7.946) 19.739 10.033 ( -15.003 -8.155 -6.882) 18.411 10.506 ( 27.328 -5.238 3.163) 28.005 10.777 ( 20.823 -7.159 -7.961) 23.415 11.357 ( -9.099 0.520 7.899) 12.061 11.466 ( -10.272 -2.593 2.931) 10.993 12.667 ( 12.598 8.865 1.750) 15.504 12.919 ( 4.482 2.033 -8.390) 9.727 13.290 ( -12.639 1.398 4.559) 13.509 13.373 ( -11.836 -0.131 0.410) 11.844 ======================= Grid point 184 (70/120) ======================= q-point: (-0.50 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -2.137 2.706 -1.507) 3.763 2.196 ( 2.137 2.706 -1.507) 3.763 2.444 ( -0.875 0.401 -1.279) 1.600 2.444 ( 0.875 0.401 -1.279) 1.600 2.513 ( -1.766 3.655 -0.258) 4.068 2.513 ( 1.766 3.655 -0.258) 4.068 2.669 ( -3.164 2.473 5.285) 6.638 2.669 ( 3.164 2.473 5.285) 6.638 2.732 ( -0.309 1.956 0.002) 1.980 2.732 ( 0.309 1.956 0.002) 1.980 2.968 ( -2.064 0.410 1.337) 2.493 2.968 ( 2.064 0.410 1.337) 2.493 3.080 ( -1.057 1.637 2.594) 3.244 3.080 ( 1.057 1.637 2.594) 3.244 3.631 ( -3.973 -3.616 -11.617) 12.799 3.631 ( 3.973 -3.616 -11.617) 12.799 4.195 ( -3.462 6.311 3.472) 7.991 4.195 ( 3.462 6.311 3.472) 7.991 4.248 ( -1.963 4.598 5.372) 7.339 4.248 ( 1.963 4.598 5.372) 7.339 4.694 ( -1.650 12.173 -3.436) 12.756 4.694 ( 1.650 12.173 -3.436) 12.756 4.821 ( -0.684 9.053 0.951) 9.129 4.821 ( 0.684 9.053 0.951) 9.129 6.436 ( -0.437 5.797 3.823) 6.957 6.436 ( 0.437 5.797 3.823) 6.957 7.003 ( -9.102 -5.368 -1.394) 10.659 7.003 ( 9.102 -5.368 -1.394) 10.659 7.651 ( -4.666 9.626 9.174) 14.092 7.651 ( 4.666 9.626 9.174) 14.092 8.174 ( -7.543 9.212 -8.970) 14.907 8.174 ( 7.543 9.212 -8.970) 14.907 8.338 ( -6.388 -4.235 3.058) 8.252 8.338 ( 6.388 -4.235 3.058) 8.252 8.830 ( -6.753 7.314 -5.306) 11.280 8.830 ( 6.753 7.314 -5.306) 11.280 9.420 ( -10.541 -14.756 4.544) 18.695 9.420 ( 10.541 -14.756 4.544) 18.695 9.736 ( -13.153 -9.123 -5.985) 17.089 9.736 ( 13.153 -9.123 -5.985) 17.089 11.009 ( -17.411 -0.386 3.140) 17.697 11.009 ( 17.411 -0.386 3.140) 17.697 11.209 ( -12.842 -6.815 -1.988) 14.673 11.209 ( 12.842 -6.815 -1.988) 14.673 12.931 ( -10.887 5.514 0.770) 12.228 12.931 ( 10.887 5.514 0.770) 12.228 13.151 ( -6.937 0.924 0.015) 6.998 13.151 ( 6.937 0.924 0.015) 6.998 ======================= Grid point 189 (71/120) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 0.000 8.094 -5.663) 9.878 2.313 ( 0.000 11.619 -6.042) 13.096 2.418 ( 0.000 13.155 4.004) 13.751 2.548 ( 0.000 -2.295 0.958) 2.487 2.623 ( 0.000 7.697 -3.535) 8.470 2.659 ( 0.000 -4.558 0.164) 4.561 2.793 ( 0.000 2.822 7.712) 8.212 2.950 ( 0.000 0.090 4.120) 4.121 3.039 ( 0.000 -6.380 7.268) 9.671 3.060 ( 0.000 -2.038 1.390) 2.467 3.101 ( 0.000 9.427 3.014) 9.897 3.317 ( 0.000 -0.963 -3.492) 3.622 3.519 ( 0.000 0.724 -6.669) 6.708 3.612 ( 0.000 -1.291 -9.037) 9.129 3.718 ( 0.000 0.630 -0.979) 1.164 3.760 ( 0.000 3.026 -2.133) 3.702 3.942 ( 0.000 -4.669 1.965) 5.066 4.001 ( 0.000 -8.764 -0.782) 8.799 4.093 ( 0.000 4.213 8.378) 9.377 4.149 ( 0.000 2.069 8.418) 8.668 4.401 ( 0.000 6.953 -4.880) 8.495 4.477 ( 0.000 3.856 -6.004) 7.136 4.889 ( 0.000 6.684 0.469) 6.700 4.902 ( 0.000 5.054 -0.073) 5.054 6.148 ( 0.000 0.978 26.444) 26.462 6.237 ( 0.000 -3.256 15.757) 16.090 6.877 ( 0.000 16.969 -7.353) 18.493 7.208 ( 0.000 1.977 0.070) 1.978 7.231 ( 0.000 1.179 -0.958) 1.519 7.277 ( 0.000 1.778 -0.995) 2.037 7.310 ( 0.000 5.303 -0.762) 5.358 7.629 ( 0.000 -10.265 -29.133) 30.889 8.425 ( 0.000 2.691 -0.166) 2.696 8.437 ( 0.000 2.331 -0.421) 2.369 8.481 ( 0.000 4.619 2.756) 5.378 8.635 ( 0.000 -0.359 -2.197) 2.226 9.030 ( 0.000 -11.161 -2.493) 11.436 9.232 ( 0.000 -20.122 -11.798) 23.326 9.723 ( 0.000 7.788 14.739) 16.670 10.009 ( 0.000 -5.661 6.388) 8.535 10.290 ( 0.000 2.998 -3.452) 4.572 10.525 ( 0.000 -8.397 -9.094) 12.378 11.547 ( 0.000 4.404 9.322) 10.310 11.658 ( 0.000 -1.573 8.981) 9.118 12.461 ( 0.000 10.165 -2.935) 10.580 12.785 ( 0.000 -6.624 -12.670) 14.297 13.660 ( 0.000 0.155 4.108) 4.111 13.704 ( 0.000 -2.242 1.704) 2.816 ======================= Grid point 190 (72/120) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -0.397 8.704 -3.751) 9.486 2.346 ( 0.311 9.839 -4.411) 10.787 2.396 ( -0.027 10.394 0.892) 10.432 2.531 ( -3.658 3.871 -0.431) 5.344 2.589 ( -0.556 -2.260 -0.649) 2.417 2.666 ( 0.126 -1.190 2.120) 2.434 2.783 ( -1.418 2.864 6.041) 6.834 2.933 ( -2.043 1.577 2.462) 3.566 2.945 ( -5.728 -0.574 3.331) 6.651 3.042 ( -5.246 6.469 3.028) 8.863 3.081 ( -1.373 -3.027 2.420) 4.112 3.271 ( -2.640 -5.267 -3.841) 7.033 3.468 ( -3.824 3.193 -4.916) 6.999 3.596 ( -9.577 -1.334 0.750) 9.698 3.646 ( 0.646 -2.133 -9.034) 9.305 3.687 ( -10.920 -2.963 -0.983) 11.357 3.914 ( 3.732 2.965 1.334) 4.949 3.992 ( 3.456 -0.702 -0.847) 3.627 4.198 ( 4.577 1.666 7.603) 9.029 4.217 ( 5.744 0.477 7.570) 9.515 4.521 ( 9.169 4.933 -4.504) 11.344 4.551 ( 6.505 4.616 -5.358) 9.609 4.898 ( 1.157 6.915 1.036) 7.088 4.930 ( 2.030 5.182 -0.336) 5.575 6.239 ( 7.703 1.049 23.075) 24.349 6.324 ( 7.498 -3.147 13.849) 16.060 6.813 ( -5.122 13.873 -5.370) 15.733 7.197 ( -4.128 -2.101 -4.516) 6.469 7.377 ( 14.714 2.494 0.071) 14.924 7.402 ( 10.708 2.762 -1.398) 11.147 7.461 ( 15.311 5.408 -0.182) 16.239 7.737 ( 9.982 -5.768 -20.899) 23.868 8.393 ( -2.165 2.405 -0.638) 3.298 8.437 ( -0.157 3.663 -1.290) 3.886 8.482 ( 0.538 4.439 3.800) 5.868 8.677 ( 3.970 -0.582 -1.342) 4.231 9.058 ( 2.620 -10.589 -3.494) 11.454 9.235 ( 0.113 -18.999 -11.420) 22.168 9.765 ( 4.606 6.594 12.767) 15.089 10.041 ( 0.797 -5.806 6.060) 8.430 10.166 ( -8.253 2.681 -4.351) 9.707 10.417 ( -10.043 -9.225 -8.954) 16.314 11.545 ( -0.407 3.947 9.654) 10.437 11.651 ( -1.100 -1.752 8.992) 9.227 12.508 ( 4.461 9.711 -3.349) 11.199 12.800 ( 1.417 -5.525 -12.257) 13.520 13.627 ( -3.397 0.204 4.081) 5.314 13.668 ( -3.567 -2.053 1.790) 4.488 ======================= Grid point 191 (73/120) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -0.320 7.545 -1.191) 7.645 2.302 ( -2.474 6.908 -0.537) 7.358 2.424 ( -2.683 4.296 -0.737) 5.118 2.447 ( 0.771 3.602 -2.826) 4.643 2.606 ( 1.366 -3.041 2.550) 4.197 2.665 ( -0.316 -0.120 3.344) 3.361 2.716 ( -5.174 4.101 2.836) 7.185 2.804 ( -7.305 2.206 0.110) 7.631 2.883 ( -2.588 3.501 1.796) 4.710 2.918 ( -6.025 2.887 1.838) 6.929 3.024 ( -3.474 -2.749 2.453) 5.064 3.228 ( -3.662 -7.674 -5.750) 10.265 3.354 ( -11.396 0.406 1.177) 11.464 3.397 ( -2.747 1.658 -1.578) 3.575 3.437 ( -10.816 -0.005 -1.141) 10.876 3.650 ( -1.109 -4.911 -10.670) 11.798 4.044 ( 7.527 4.699 2.006) 9.097 4.109 ( 6.750 1.180 0.291) 6.858 4.281 ( 3.443 2.696 7.683) 8.840 4.311 ( 3.099 0.695 6.552) 7.281 4.699 ( 7.507 5.491 -3.334) 9.880 4.708 ( 8.242 5.204 -4.696) 10.820 4.930 ( 1.691 7.166 1.267) 7.471 4.969 ( 1.512 5.474 -0.532) 5.704 6.399 ( 6.938 1.965 13.415) 15.231 6.504 ( 9.668 -3.475 10.437) 14.646 6.706 ( -4.933 11.047 -2.892) 12.439 7.108 ( -4.394 -7.334 -6.084) 10.493 7.595 ( 8.204 7.111 -1.635) 10.979 7.687 ( 13.243 2.214 -1.813) 13.549 7.838 ( 16.288 4.459 4.522) 17.483 7.989 ( 11.827 -0.230 -1.536) 11.929 8.371 ( 0.698 2.571 -5.409) 6.029 8.447 ( 1.566 3.014 -5.396) 6.376 8.545 ( 7.184 6.223 6.412) 11.465 8.794 ( 7.609 -0.819 2.091) 7.934 9.122 ( 2.814 -9.456 -7.010) 12.103 9.233 ( 0.134 -14.477 -9.911) 17.545 9.778 ( -15.086 0.324 4.614) 15.780 9.968 ( 8.957 -2.809 1.237) 9.468 10.170 ( -9.177 -5.465 -3.917) 11.377 10.275 ( 13.372 -5.259 -3.553) 14.802 11.511 ( -3.587 2.443 9.063) 10.049 11.591 ( -5.318 -1.860 7.512) 9.390 12.632 ( 7.480 8.081 -3.029) 11.420 12.842 ( 2.898 -2.980 -10.182) 10.998 13.515 ( -7.766 0.437 3.985) 8.740 13.554 ( -7.696 -1.570 1.882) 8.077 ======================= Grid point 192 (74/120) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -0.689 5.107 0.152) 5.156 2.271 ( -0.663 3.929 -1.390) 4.220 2.394 ( 0.221 0.027 1.787) 1.801 2.453 ( -1.469 -0.751 -0.827) 1.846 2.584 ( -4.393 1.580 0.464) 4.692 2.624 ( -1.554 0.471 1.755) 2.391 2.661 ( -1.056 1.887 3.067) 3.753 2.699 ( -1.933 -1.957 3.718) 4.625 2.825 ( -2.454 3.743 0.231) 4.482 2.843 ( -1.552 4.955 0.074) 5.193 2.959 ( -2.403 -1.969 1.534) 3.464 3.078 ( -8.486 -2.979 -1.759) 9.165 3.174 ( -5.086 3.042 0.497) 5.947 3.269 ( -6.496 7.275 -3.050) 10.219 3.420 ( 3.695 -7.104 -5.552) 9.744 3.600 ( -3.640 -7.067 -10.493) 13.164 4.191 ( 6.463 4.470 3.263) 8.509 4.236 ( 5.293 2.176 2.190) 6.127 4.326 ( 0.721 3.023 6.069) 6.818 4.341 ( -0.053 1.935 6.132) 6.431 4.830 ( 5.178 6.872 -2.447) 8.946 4.848 ( 5.241 6.593 -3.731) 9.212 4.955 ( 0.558 6.399 0.567) 6.448 4.983 ( -0.189 5.666 -0.903) 5.740 6.508 ( 3.830 4.470 5.150) 7.822 6.620 ( -3.012 9.015 -0.983) 9.556 6.702 ( 9.037 -4.625 5.084) 11.354 7.010 ( -5.615 -8.940 -4.882) 11.631 7.730 ( 5.512 8.569 4.181) 11.014 7.872 ( 3.069 5.919 6.941) 9.624 8.027 ( 6.014 -0.013 3.473) 6.945 8.152 ( 4.201 -3.546 6.900) 8.822 8.407 ( 2.461 8.867 -7.794) 12.060 8.493 ( 1.452 6.803 -8.253) 10.794 8.744 ( 9.646 2.485 1.546) 10.080 8.984 ( 9.773 -6.599 5.617) 13.062 9.093 ( -4.854 0.441 -11.657) 12.635 9.297 ( 4.779 -10.195 -6.083) 12.798 9.483 ( -10.384 -2.922 5.588) 12.149 9.804 ( -14.361 -13.773 -8.088) 21.479 10.480 ( 26.720 1.709 2.263) 26.870 10.649 ( 21.959 -6.001 -4.809) 23.267 11.365 ( -11.734 0.460 5.757) 13.078 11.417 ( -12.071 -2.316 3.498) 12.779 12.810 ( 10.067 5.846 -0.763) 11.666 12.934 ( 6.465 -0.549 -5.852) 8.737 13.313 ( -11.687 1.068 3.720) 12.311 13.360 ( -10.988 -1.108 1.352) 11.126 ======================= Grid point 193 (75/120) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -1.014 3.641 -0.133) 3.782 2.257 ( 1.014 3.641 -0.133) 3.782 2.410 ( -1.717 -3.289 0.028) 3.710 2.410 ( 1.717 -3.289 0.028) 3.710 2.566 ( -2.339 2.572 1.385) 3.742 2.566 ( 2.339 2.572 1.385) 3.742 2.671 ( -1.300 -1.926 5.051) 5.560 2.671 ( 1.300 -1.926 5.051) 5.560 2.816 ( -0.985 5.121 -0.733) 5.266 2.816 ( 0.985 5.121 -0.733) 5.266 2.957 ( -2.864 -1.766 -0.274) 3.376 2.957 ( 2.864 -1.766 -0.274) 3.376 3.163 ( -3.304 7.109 -1.507) 7.983 3.163 ( 3.304 7.109 -1.507) 7.983 3.511 ( -4.779 -8.127 -8.922) 12.980 3.511 ( 4.779 -8.127 -8.922) 12.980 4.292 ( -2.890 3.751 3.907) 6.140 4.292 ( 2.890 3.751 3.907) 6.140 4.319 ( -1.756 2.456 5.051) 5.885 4.319 ( 1.756 2.456 5.051) 5.885 4.899 ( -0.950 8.222 -2.334) 8.599 4.899 ( 0.950 8.222 -2.334) 8.599 4.965 ( -1.123 4.972 -0.863) 5.170 4.965 ( 1.123 4.972 -0.863) 5.170 6.567 ( -2.386 7.481 1.237) 7.949 6.567 ( 2.386 7.481 1.237) 7.949 6.874 ( -7.644 -7.492 -1.116) 10.761 6.874 ( 7.644 -7.492 -1.116) 10.761 7.833 ( -4.489 8.960 9.652) 13.914 7.833 ( 4.489 8.960 9.652) 13.914 8.150 ( -4.117 -7.054 4.527) 9.339 8.150 ( 4.117 -7.054 4.527) 9.339 8.468 ( -3.137 12.854 -6.826) 14.888 8.468 ( 3.138 12.854 -6.826) 14.888 8.921 ( -8.306 -2.349 -7.188) 11.233 8.921 ( 8.306 -2.349 -7.188) 11.233 9.212 ( -9.430 -2.366 4.371) 10.659 9.212 ( 9.430 -2.366 4.371) 10.659 9.539 ( -10.978 -10.823 -5.122) 16.245 9.539 ( 10.978 -10.823 -5.122) 16.245 11.005 ( -20.849 0.288 1.770) 20.926 11.005 ( 20.849 0.288 1.770) 20.926 11.097 ( -17.698 -4.598 -1.443) 18.342 11.097 ( 17.698 -4.598 -1.443) 18.342 13.027 ( -8.310 4.305 0.664) 9.383 13.027 ( 8.310 4.305 0.664) 9.383 13.145 ( -6.594 -1.443 0.361) 6.760 13.145 ( 6.594 -1.443 0.361) 6.760 ======================= Grid point 198 (76/120) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 0.000 -6.140 -2.687) 6.702 2.429 ( 0.000 6.140 -2.687) 6.702 2.518 ( 0.000 -7.229 -4.729) 8.638 2.518 ( 0.000 7.229 -4.729) 8.638 2.645 ( 0.000 -6.764 1.952) 7.040 2.645 ( 0.000 6.764 1.952) 7.040 2.916 ( 0.000 -6.933 8.570) 11.023 2.916 ( 0.000 6.933 8.570) 11.023 2.967 ( 0.000 -1.369 2.949) 3.251 2.967 ( 0.000 1.369 2.949) 3.251 3.262 ( 0.000 -5.762 -0.920) 5.835 3.262 ( 0.000 5.762 -0.920) 5.835 3.565 ( 0.000 -2.837 -7.026) 7.577 3.565 ( 0.000 2.837 -7.026) 7.577 3.749 ( 0.000 -3.250 -3.408) 4.709 3.749 ( 0.000 3.250 -3.408) 4.709 3.904 ( 0.000 -0.671 0.800) 1.044 3.904 ( 0.000 0.671 0.800) 1.044 4.151 ( 0.000 -1.584 9.263) 9.398 4.151 ( 0.000 1.584 9.263) 9.398 4.492 ( 0.000 -2.128 -5.445) 5.846 4.492 ( 0.000 2.128 -5.445) 5.846 4.958 ( 0.000 -0.112 -0.119) 0.164 4.958 ( 0.000 0.112 -0.119) 0.164 6.181 ( 0.000 -2.381 22.364) 22.490 6.181 ( 0.000 2.381 22.364) 22.490 7.195 ( 0.000 -12.141 -8.983) 15.103 7.195 ( 0.000 12.141 -8.983) 15.103 7.235 ( 0.000 -0.338 -0.190) 0.388 7.235 ( 0.000 0.338 -0.190) 0.388 7.418 ( 0.000 -7.616 -8.661) 11.534 7.418 ( 0.000 7.616 -8.661) 11.534 8.443 ( 0.000 -1.164 -0.974) 1.518 8.443 ( 0.000 1.164 -0.974) 1.518 8.598 ( 0.000 -4.101 0.656) 4.153 8.598 ( 0.000 4.101 0.656) 4.153 8.970 ( 0.000 -5.470 -9.490) 10.953 8.970 ( 0.000 5.470 -9.490) 10.953 9.878 ( 0.000 -7.658 10.776) 13.220 9.878 ( 0.000 7.658 10.776) 13.220 10.380 ( 0.000 -6.209 -6.056) 8.673 10.380 ( 0.000 6.209 -6.056) 8.673 11.615 ( 0.000 -2.790 9.064) 9.484 11.615 ( 0.000 2.790 9.064) 9.484 12.640 ( 0.000 -8.268 -8.296) 11.713 12.640 ( 0.000 8.268 -8.296) 11.713 13.672 ( 0.000 -1.078 2.891) 3.085 13.672 ( 0.000 1.078 2.891) 3.085 ======================= Grid point 200 (77/120) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -1.114 -6.185 -1.533) 6.468 2.416 ( -1.114 6.185 -1.533) 6.468 2.515 ( -1.705 -6.983 -2.769) 7.703 2.515 ( -1.705 6.983 -2.769) 7.703 2.613 ( -1.462 -6.153 0.633) 6.356 2.613 ( -1.462 6.153 0.633) 6.356 2.877 ( -2.566 -4.890 5.507) 7.799 2.877 ( -2.566 4.890 5.507) 7.799 2.989 ( 0.302 -5.207 3.428) 6.241 2.989 ( 0.302 5.207 3.428) 6.241 3.176 ( -7.133 -5.657 -1.244) 9.189 3.176 ( -7.133 5.657 -1.244) 9.189 3.546 ( -3.360 -3.994 -5.650) 7.692 3.546 ( -3.360 3.994 -5.650) 7.692 3.625 ( -8.530 -1.827 -1.495) 8.851 3.625 ( -8.530 1.827 -1.495) 8.851 3.964 ( 5.647 -2.049 -1.011) 6.092 3.964 ( 5.647 2.049 -1.011) 6.092 4.220 ( 5.026 -0.582 8.805) 10.155 4.220 ( 5.026 0.582 8.805) 10.155 4.583 ( 7.742 -1.075 -4.953) 9.254 4.583 ( 7.742 1.075 -4.953) 9.254 4.977 ( 1.726 -0.814 0.010) 1.908 4.977 ( 1.726 0.814 0.010) 1.908 6.271 ( 7.700 -2.210 19.476) 21.059 6.271 ( 7.700 2.210 19.476) 21.059 7.068 ( -7.825 -10.915 -7.775) 15.518 7.068 ( -7.825 10.915 -7.775) 15.518 7.411 ( 14.437 -0.929 -0.334) 14.471 7.411 ( 14.437 0.929 -0.334) 14.471 7.594 ( 14.040 -7.699 -5.866) 17.053 7.594 ( 14.040 7.699 -5.866) 17.053 8.431 ( -0.823 -2.160 -2.537) 3.432 8.431 ( -0.823 2.160 -2.537) 3.432 8.620 ( 2.298 -5.777 2.084) 6.558 8.620 ( 2.298 5.777 2.084) 6.558 8.993 ( 2.181 -4.595 -9.620) 10.881 8.993 ( 2.181 4.595 -9.620) 10.881 9.907 ( 2.596 -7.519 8.904) 11.940 9.907 ( 2.596 7.519 8.904) 11.940 10.260 ( -10.273 -6.674 -5.751) 13.534 10.260 ( -10.273 6.674 -5.751) 13.534 11.608 ( -1.034 -2.652 9.128) 9.561 11.608 ( -1.034 2.652 9.128) 9.561 12.674 ( 3.185 -7.435 -8.178) 11.502 12.674 ( 3.185 7.435 -8.178) 11.502 13.638 ( -3.378 -1.035 2.938) 4.595 13.638 ( -3.378 1.035 2.938) 4.595 ======================= Grid point 202 (78/120) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -3.365 -2.050 -0.211) 3.946 2.374 ( -3.365 2.050 -0.211) 3.946 2.452 ( -2.442 -1.366 1.027) 2.980 2.452 ( -2.442 1.366 1.027) 2.980 2.616 ( 0.615 -3.183 0.163) 3.246 2.616 ( 0.615 3.183 0.163) 3.246 2.800 ( -5.746 -2.762 1.483) 6.546 2.800 ( -5.746 2.762 1.483) 6.546 2.944 ( -4.239 -2.598 1.491) 5.191 2.944 ( -4.239 2.598 1.491) 5.191 3.060 ( -3.062 -8.040 -1.069) 8.670 3.060 ( -3.062 8.040 -1.069) 8.670 3.373 ( -9.278 -1.773 -0.059) 9.446 3.373 ( -9.278 1.773 -0.059) 9.446 3.530 ( -3.656 -6.682 -6.647) 10.110 3.530 ( -3.656 6.682 -6.647) 10.110 4.106 ( 7.504 -1.621 0.545) 7.696 4.106 ( 7.504 1.621 0.545) 7.696 4.313 ( 3.668 -0.663 7.726) 8.578 4.313 ( 3.668 0.663 7.726) 8.578 4.756 ( 8.392 -0.394 -3.973) 9.293 4.756 ( 8.392 0.394 -3.973) 9.293 5.015 ( 1.632 -1.064 -0.015) 1.948 5.015 ( 1.632 1.064 -0.015) 1.948 6.444 ( 8.468 -2.683 12.336) 15.202 6.444 ( 8.468 2.683 12.336) 15.202 6.925 ( -6.040 -10.916 -5.641) 13.692 6.925 ( -6.040 10.916 -5.641) 13.692 7.689 ( 11.263 -2.328 -2.798) 11.837 7.689 ( 11.263 2.328 -2.798) 11.837 7.927 ( 14.732 -4.760 6.662) 16.854 7.927 ( 14.732 4.760 6.662) 16.854 8.442 ( 3.075 -3.197 -7.314) 8.554 8.442 ( 3.075 3.197 -7.314) 8.554 8.699 ( 5.381 -7.975 4.727) 10.719 8.699 ( 5.381 7.975 4.727) 10.719 9.057 ( 4.142 -3.117 -9.556) 10.871 9.057 ( 4.142 3.117 -9.556) 10.871 9.851 ( -12.573 -6.460 -1.386) 14.203 9.851 ( -12.573 6.460 -1.386) 14.203 10.180 ( 9.345 -4.044 0.298) 10.187 10.180 ( 9.345 4.044 0.298) 10.187 11.553 ( -4.940 -2.008 7.918) 9.546 11.553 ( -4.940 2.008 7.918) 9.546 12.761 ( 5.344 -5.336 -6.744) 10.125 12.761 ( 5.344 5.336 -6.744) 10.125 13.529 ( -7.518 -1.023 2.957) 8.143 13.529 ( -7.517 1.023 2.957) 8.143 ======================= Grid point 204 (79/120) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.375 -0.800 -0.137) 1.597 2.315 ( -1.375 0.800 -0.137) 1.597 2.409 ( -3.002 -2.429 2.176) 4.432 2.409 ( -3.002 2.429 2.176) 4.432 2.611 ( -0.868 -1.356 2.231) 2.752 2.611 ( -0.868 1.356 2.231) 2.752 2.680 ( -4.330 -0.264 1.366) 4.548 2.680 ( -4.330 0.264 1.366) 4.548 2.883 ( -1.191 -2.355 0.402) 2.669 2.883 ( -1.191 2.355 0.402) 2.669 2.990 ( -4.694 -5.410 -1.606) 7.340 2.990 ( -4.694 5.410 -1.606) 7.340 3.272 ( 0.021 -6.627 -2.213) 6.987 3.272 ( 0.021 6.627 -2.213) 6.987 3.439 ( -5.113 -8.814 -6.881) 12.295 3.439 ( -5.113 8.814 -6.881) 12.295 4.246 ( 5.943 -1.167 2.551) 6.572 4.246 ( 5.943 1.167 2.551) 6.572 4.358 ( 0.673 -0.325 6.269) 6.314 4.358 ( 0.673 0.325 6.269) 6.314 4.905 ( 6.053 -0.679 -2.916) 6.753 4.905 ( 6.053 0.679 -2.916) 6.753 5.031 ( -0.272 -0.919 -0.660) 1.164 5.031 ( -0.272 0.919 -0.660) 1.164 6.600 ( 6.727 -4.907 4.657) 9.540 6.600 ( 6.727 4.907 4.657) 9.540 6.819 ( -4.693 -10.199 -3.144) 11.659 6.819 ( -4.693 10.199 -3.144) 11.659 7.874 ( 7.313 -5.472 2.605) 9.498 7.874 ( 7.313 5.472 2.605) 9.498 8.065 ( -0.104 -4.580 10.196) 11.178 8.065 ( -0.104 4.580 10.196) 11.178 8.571 ( 8.311 -3.789 -8.740) 12.642 8.571 ( 8.311 3.789 -8.740) 12.642 8.787 ( 1.337 -6.557 1.512) 6.861 8.787 ( 1.337 6.557 1.512) 6.861 9.170 ( 6.948 -3.908 -5.395) 9.625 9.170 ( 6.948 3.908 -5.395) 9.625 9.556 ( -13.642 -10.010 -3.024) 17.188 9.556 ( -13.642 10.010 -3.024) 17.188 10.545 ( 23.567 -4.554 -1.171) 24.031 10.545 ( 23.567 4.555 -1.171) 24.031 11.381 ( -12.559 -1.294 4.245) 13.320 11.381 ( -12.559 1.294 4.245) 13.320 12.897 ( 8.272 -3.182 -3.219) 9.430 12.897 ( 8.272 3.182 -3.219) 9.430 13.336 ( -11.122 -1.293 2.483) 11.469 13.336 ( -11.122 1.293 2.483) 11.469 ======================= Grid point 206 (80/120) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -1.934 -3.938 0.544) 4.421 2.334 ( -0.054 -3.817 0.544) 3.856 2.334 ( 0.054 3.817 0.544) 3.856 2.334 ( 1.934 3.938 0.544) 4.421 2.620 ( -1.769 -2.859 3.240) 4.669 2.620 ( 1.377 -2.804 3.240) 4.501 2.620 ( -1.377 2.804 3.240) 4.501 2.620 ( 1.769 2.859 3.240) 4.669 2.902 ( -2.695 -3.627 -0.671) 4.568 2.902 ( 1.629 -3.464 -0.671) 3.887 2.902 ( -1.629 3.464 -0.671) 3.887 2.902 ( 2.695 3.627 -0.671) 4.568 3.334 ( -4.730 -9.590 -5.589) 12.065 3.334 ( 4.583 -9.572 -5.589) 11.994 3.334 ( -4.583 9.572 -5.589) 11.994 3.334 ( 4.730 9.590 -5.589) 12.065 4.337 ( -2.742 -0.648 4.478) 5.290 4.337 ( -2.494 0.310 4.478) 5.135 4.337 ( 2.494 -0.310 4.478) 5.135 4.337 ( 2.742 0.649 4.478) 5.290 4.998 ( -2.574 -1.507 -1.760) 3.464 4.998 ( -1.325 -1.027 -1.760) 2.430 4.998 ( 1.325 1.027 -1.760) 2.430 4.998 ( 2.574 1.507 -1.760) 3.464 6.720 ( -5.144 -8.076 -0.397) 9.583 6.720 ( 4.866 -8.033 -0.397) 9.400 6.720 ( -4.866 8.033 -0.397) 9.400 6.720 ( 5.144 8.076 -0.397) 9.583 8.000 ( -4.526 -8.081 8.064) 12.280 8.000 ( 3.235 -7.924 8.064) 11.760 8.000 ( -3.235 7.924 8.064) 11.760 8.000 ( 4.526 8.081 8.064) 12.280 8.730 ( -3.488 -13.004 -5.636) 14.595 8.730 ( 0.932 -12.895 -5.636) 14.103 8.730 ( -0.932 12.895 -5.636) 14.104 8.730 ( 3.488 13.004 -5.636) 14.596 9.329 ( -7.882 -9.910 -2.104) 12.836 9.329 ( 4.062 -9.317 -2.104) 10.380 9.329 ( -4.062 9.317 -2.104) 10.380 9.329 ( 7.882 9.910 -2.104) 12.836 11.029 ( -21.733 -2.246 0.013) 21.848 11.029 ( -21.682 2.119 0.013) 21.785 11.029 ( 21.682 -2.119 0.013) 21.785 11.029 ( 21.733 2.246 0.013) 21.848 13.100 ( -10.791 -2.578 0.538) 11.108 13.100 ( -9.496 0.272 0.538) 9.515 13.100 ( 9.496 -0.272 0.538) 9.515 13.100 ( 10.791 2.578 0.538) 11.108 ======================= Grid point 270 (81/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.000 0.000 -20.546) 20.546 0.910 ( 0.000 0.000 20.546) 20.546 0.956 ( 0.000 0.000 -21.222) 21.222 0.956 ( 0.000 0.000 21.222) 21.222 1.938 ( 0.000 0.000 -43.397) 43.397 1.938 ( 0.000 0.000 43.397) 43.397 2.352 ( 0.000 0.000 -7.553) 7.553 2.352 ( 0.000 0.000 7.553) 7.553 2.450 ( 0.000 0.000 -10.026) 10.026 2.450 ( 0.000 0.000 10.026) 10.026 2.513 ( 0.000 0.000 -2.842) 2.842 2.513 ( 0.000 0.000 2.842) 2.842 2.882 ( 0.000 0.000 -8.467) 8.467 2.882 ( 0.000 0.000 8.467) 8.467 2.997 ( 0.000 0.000 -1.974) 1.974 2.997 ( 0.000 0.000 1.974) 1.974 3.447 ( 0.000 0.000 -4.279) 4.279 3.447 ( 0.000 0.000 4.279) 4.279 3.830 ( 0.000 0.000 -3.780) 3.780 3.830 ( 0.000 0.000 3.780) 3.780 4.748 ( 0.000 0.000 -2.446) 2.446 4.748 ( 0.000 0.000 2.446) 2.446 4.872 ( 0.000 0.000 -18.984) 18.984 4.872 ( 0.000 0.000 18.984) 18.984 6.359 ( 0.000 0.000 -2.410) 2.410 6.359 ( 0.000 0.000 2.410) 2.410 6.861 ( 0.000 0.000 -1.163) 1.163 6.861 ( 0.000 0.000 1.163) 1.163 6.931 ( 0.000 0.000 -0.220) 0.220 6.931 ( 0.000 0.000 0.220) 0.220 6.967 ( 0.000 0.000 -3.026) 3.026 6.967 ( 0.000 0.000 3.026) 3.026 7.076 ( 0.000 0.000 -35.834) 35.834 7.076 ( 0.000 0.000 35.834) 35.834 9.417 ( 0.000 0.000 -0.370) 0.370 9.417 ( 0.000 0.000 0.370) 0.370 9.440 ( 0.000 0.000 -15.808) 15.808 9.440 ( 0.000 0.000 15.808) 15.808 10.164 ( 0.000 0.000 -17.143) 17.143 10.164 ( 0.000 0.000 17.143) 17.143 10.213 ( 0.000 0.000 -0.767) 0.767 10.213 ( 0.000 0.000 0.767) 0.767 12.005 ( 0.000 0.000 -1.767) 1.767 12.005 ( 0.000 0.000 1.767) 1.767 12.286 ( 0.000 0.000 -7.035) 7.035 12.286 ( 0.000 0.000 7.035) 7.035 14.080 ( 0.000 0.000 -0.852) 0.852 14.080 ( 0.000 0.000 0.852) 0.852 ======================= Grid point 272 (82/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 9.085 0.000 -18.402) 20.522 1.053 ( 9.085 0.000 18.402) 20.522 1.154 ( 18.634 0.000 -16.921) 25.170 1.154 ( 18.634 0.000 16.921) 25.170 2.045 ( 11.468 0.000 -36.789) 38.535 2.045 ( 11.468 0.000 36.789) 38.535 2.362 ( 0.953 0.000 -7.388) 7.449 2.362 ( 0.953 0.000 7.388) 7.449 2.478 ( -3.531 0.000 -2.898) 4.568 2.478 ( -3.531 0.000 2.898) 4.568 2.499 ( 4.615 0.000 -8.227) 9.433 2.499 ( 4.615 0.000 8.227) 9.433 2.827 ( -6.094 0.000 -7.282) 9.496 2.827 ( -6.094 0.000 7.282) 9.496 2.979 ( -1.670 0.000 -2.399) 2.923 2.979 ( -1.670 0.000 2.399) 2.923 3.407 ( -2.935 0.000 -3.870) 4.857 3.407 ( -2.935 0.000 3.870) 4.857 3.892 ( 5.463 0.000 -3.323) 6.395 3.892 ( 5.463 0.000 3.323) 6.395 4.698 ( -5.341 0.000 -1.550) 5.562 4.698 ( -5.341 0.000 1.550) 5.562 4.851 ( -2.078 0.000 -17.722) 17.844 4.851 ( -2.078 0.000 17.722) 17.844 6.385 ( 2.499 0.000 -2.576) 3.589 6.385 ( 2.499 0.000 2.576) 3.589 6.864 ( 2.937 0.000 -7.164) 7.743 6.864 ( 2.937 0.000 7.164) 7.743 6.944 ( -2.205 0.000 -2.950) 3.684 6.944 ( -2.205 0.000 2.950) 3.684 6.964 ( 5.840 0.000 -15.505) 16.568 6.964 ( 5.840 0.000 15.505) 16.568 7.473 ( 28.059 0.000 -20.511) 34.756 7.473 ( 28.059 0.000 20.511) 34.756 9.391 ( -3.938 0.000 -12.634) 13.234 9.391 ( -3.938 0.000 12.634) 13.234 9.414 ( -0.284 0.000 -0.636) 0.697 9.414 ( -0.284 0.000 0.636) 0.697 10.217 ( 0.412 0.000 -0.900) 0.990 10.217 ( 0.412 0.000 0.900) 0.990 10.243 ( 7.478 0.000 -17.344) 18.888 10.243 ( 7.478 0.000 17.344) 18.888 11.974 ( -3.108 0.000 -0.673) 3.180 11.974 ( -3.108 0.000 0.673) 3.180 12.311 ( 2.769 0.000 -2.977) 4.066 12.311 ( 2.769 0.000 2.977) 4.066 13.932 ( -12.674 0.000 -3.742) 13.215 13.932 ( -12.674 0.000 3.742) 13.215 ======================= Grid point 274 (83/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 13.857 0.000 -12.988) 18.992 1.295 ( 13.857 0.000 12.988) 18.992 1.499 ( 14.335 0.000 -15.909) 21.415 1.499 ( 14.335 0.000 15.909) 21.415 2.355 ( -6.173 0.000 -4.226) 7.481 2.355 ( -6.173 0.000 4.226) 7.481 2.400 ( 0.155 0.000 -3.971) 3.974 2.400 ( 0.155 0.000 3.971) 3.974 2.411 ( 20.896 0.000 -15.876) 26.243 2.411 ( 20.896 0.000 15.876) 26.243 2.620 ( 4.007 0.000 -9.155) 9.994 2.620 ( 4.007 0.000 9.155) 9.994 2.647 ( -5.762 0.000 -6.003) 8.321 2.647 ( -5.762 0.000 6.003) 8.321 2.937 ( -2.165 0.000 -2.987) 3.689 2.937 ( -2.165 0.000 2.987) 3.689 3.356 ( -1.967 0.000 -4.829) 5.214 3.356 ( -1.967 0.000 4.829) 5.214 4.017 ( 5.740 0.000 -1.569) 5.950 4.017 ( 5.740 0.000 1.569) 5.950 4.524 ( -11.245 0.000 -1.883) 11.401 4.524 ( -11.245 0.000 1.883) 11.401 4.788 ( -4.121 0.000 -14.234) 14.818 4.788 ( -4.121 0.000 14.234) 14.818 6.456 ( 4.325 0.000 -2.816) 5.161 6.456 ( 4.325 0.000 2.816) 5.161 6.881 ( -3.916 0.000 -2.771) 4.797 6.881 ( -3.916 0.000 2.771) 4.797 6.960 ( 5.496 0.000 -3.027) 6.275 6.960 ( 5.496 0.000 3.027) 6.275 7.128 ( 8.835 0.000 -11.455) 14.466 7.128 ( 8.835 0.000 11.455) 14.466 8.014 ( 22.872 0.000 -14.670) 27.172 8.014 ( 22.872 0.000 14.670) 27.172 9.312 ( -3.541 0.000 -7.437) 8.238 9.312 ( -3.541 0.000 7.437) 8.238 9.406 ( -0.411 0.000 -1.014) 1.094 9.406 ( -0.411 0.000 1.014) 1.094 10.228 ( 0.574 0.000 -1.028) 1.178 10.228 ( 0.574 0.000 1.028) 1.178 10.468 ( 14.707 0.000 -15.437) 21.321 10.468 ( 14.707 0.000 15.437) 21.321 11.866 ( -7.863 0.000 -4.033) 8.837 11.866 ( -7.863 0.000 4.033) 8.837 12.417 ( 8.060 0.000 -7.837) 11.242 12.417 ( 8.060 0.000 7.837) 11.242 13.634 ( -15.748 0.000 -5.149) 16.568 13.634 ( -15.748 0.000 5.149) 16.568 ======================= Grid point 276 (84/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 14.824 0.000 -8.146) 16.915 1.592 ( 14.824 0.000 8.146) 16.915 1.768 ( 13.020 0.000 -13.076) 18.453 1.768 ( 13.020 0.000 13.076) 18.453 2.168 ( -11.074 0.000 -3.838) 11.720 2.168 ( -11.074 0.000 3.838) 11.720 2.335 ( -14.092 0.000 -5.168) 15.010 2.335 ( -14.092 0.000 5.168) 15.010 2.424 ( 1.154 0.000 -3.641) 3.820 2.424 ( 1.154 0.000 3.641) 3.820 2.714 ( 5.113 0.000 -3.462) 6.175 2.714 ( 5.113 0.000 3.462) 6.175 2.899 ( -1.430 0.000 -2.318) 2.724 2.899 ( -1.430 0.000 2.318) 2.724 3.020 ( 26.019 0.000 -15.903) 30.494 3.020 ( 26.019 0.000 15.903) 30.494 3.326 ( -0.666 0.000 -4.349) 4.400 3.326 ( -0.666 0.000 4.349) 4.400 4.022 ( -9.868 0.000 -1.545) 9.989 4.022 ( -9.868 0.000 1.545) 9.989 4.338 ( -2.419 0.000 -2.244) 3.299 4.338 ( -2.419 0.000 2.244) 3.299 4.691 ( -4.911 0.000 -9.108) 10.347 4.691 ( -4.911 0.000 9.108) 10.347 6.553 ( 5.049 0.000 -2.744) 5.746 6.553 ( 5.049 0.000 2.744) 5.746 6.790 ( -4.763 0.000 -2.546) 5.401 6.790 ( -4.763 0.000 2.546) 5.401 7.062 ( 4.102 0.000 -4.338) 5.970 7.062 ( 4.102 0.000 4.338) 5.970 7.272 ( 4.720 0.000 -7.856) 9.164 7.272 ( 4.720 0.000 7.856) 9.164 8.379 ( 12.949 0.000 -6.043) 14.290 8.379 ( 12.949 0.000 6.043) 14.290 9.242 ( -3.406 0.000 -4.164) 5.379 9.242 ( -3.406 0.000 4.164) 5.379 9.398 ( -0.297 0.000 -0.823) 0.875 9.398 ( -0.297 0.000 0.823) 0.875 10.238 ( 0.400 0.000 -0.730) 0.832 10.238 ( 0.400 0.000 0.730) 0.832 10.822 ( 18.924 0.000 -9.290) 21.081 10.822 ( 18.924 0.000 9.290) 21.081 11.648 ( -13.221 0.000 -7.176) 15.042 11.648 ( -13.221 0.000 7.176) 15.042 12.641 ( 13.623 0.000 -12.110) 18.227 12.641 ( 13.623 0.000 12.110) 18.227 13.304 ( -16.559 0.000 -6.186) 17.677 13.304 ( -16.559 0.000 6.186) 17.677 ======================= Grid point 278 (85/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.000 0.000 0.000) 0.000 1.836 ( -0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.033 ( -0.000 0.000 -0.000) 0.000 2.033 ( -0.000 0.000 0.000) 0.000 2.055 ( 0.000 0.000 -0.000) 0.000 2.055 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 -0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 -0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.462 ( -0.000 0.000 -0.000) 0.000 3.462 ( -0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 -0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 -0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 6.632 ( -0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.715 ( -0.000 0.000 -0.000) 0.000 6.715 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 -0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 -0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.198 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 9.395 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.424 ( 0.000 0.000 0.000) 0.000 11.424 ( 0.000 0.000 0.000) 0.000 12.914 ( -0.000 0.000 0.000) 0.000 12.914 ( 0.000 0.000 0.000) 0.000 13.004 ( 0.000 0.000 -0.000) 0.000 13.004 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 288 (86/120) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 9.686 -17.787) 20.254 1.009 ( 0.000 9.686 17.787) 20.254 1.097 ( 0.000 11.729 -18.933) 22.272 1.097 ( 0.000 11.729 18.933) 22.272 2.062 ( 0.000 13.115 -35.758) 38.087 2.062 ( 0.000 13.115 35.758) 38.087 2.438 ( 0.000 2.256 -4.318) 4.872 2.438 ( 0.000 2.256 4.318) 4.872 2.459 ( 0.000 7.818 -2.446) 8.192 2.459 ( 0.000 7.818 2.446) 8.192 2.622 ( 0.000 9.073 -0.591) 9.093 2.622 ( 0.000 9.073 0.591) 9.093 2.925 ( 0.000 4.748 -8.508) 9.743 2.925 ( 0.000 4.748 8.508) 9.743 3.064 ( 0.000 5.666 -2.892) 6.361 3.064 ( 0.000 5.666 2.892) 6.361 3.432 ( 0.000 -0.243 -4.591) 4.597 3.432 ( 0.000 -0.243 4.591) 4.597 3.814 ( 0.000 -1.548 -3.930) 4.224 3.814 ( 0.000 -1.548 3.930) 4.224 4.719 ( 0.000 -2.962 -2.028) 3.590 4.719 ( 0.000 -2.962 2.028) 3.590 4.849 ( 0.000 -2.129 -18.381) 18.504 4.849 ( 0.000 -2.129 18.381) 18.504 6.419 ( 0.000 5.820 -1.935) 6.133 6.419 ( 0.000 5.820 1.935) 6.133 6.701 ( 0.000 -9.875 -6.970) 12.087 6.701 ( 0.000 -9.875 6.970) 12.087 6.885 ( 0.000 2.443 -1.235) 2.737 6.885 ( 0.000 2.443 1.235) 2.737 7.053 ( 0.000 -1.895 -34.397) 34.449 7.053 ( 0.000 -1.895 34.397) 34.449 7.286 ( 0.000 17.651 -5.157) 18.389 7.286 ( 0.000 17.651 5.157) 18.389 9.113 ( 0.000 -15.889 -2.215) 16.043 9.113 ( 0.000 -15.889 2.215) 16.043 9.649 ( 0.000 7.837 -7.277) 10.694 9.649 ( 0.000 7.837 7.277) 10.694 10.127 ( 0.000 -1.336 -15.025) 15.085 10.127 ( 0.000 -1.336 15.025) 15.085 10.381 ( 0.000 13.968 -0.873) 13.995 10.381 ( 0.000 13.968 0.873) 13.995 11.988 ( 0.000 -6.558 -0.777) 6.603 11.988 ( 0.000 -6.558 0.777) 6.603 12.267 ( 0.000 1.580 -0.825) 1.783 12.267 ( 0.000 1.580 0.825) 1.783 14.032 ( 0.000 -4.261 -2.685) 5.036 14.032 ( 0.000 -4.261 2.685) 5.036 ======================= Grid point 290 (87/120) ======================= q-point: ( 0.12 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 9.674 8.922 -16.976) 21.480 1.160 ( 9.674 8.922 16.976) 21.480 1.243 ( 15.076 8.614 -15.645) 23.372 1.243 ( 15.076 8.614 15.645) 23.372 2.154 ( 9.723 11.671 -29.030) 32.765 2.154 ( 9.723 11.671 29.030) 32.765 2.423 ( -0.121 3.847 -7.144) 8.115 2.423 ( -0.121 3.847 7.144) 8.115 2.509 ( 1.572 5.006 -3.618) 6.373 2.509 ( 1.572 5.006 3.618) 6.373 2.612 ( 0.689 10.242 -4.279) 11.121 2.612 ( 0.689 10.242 4.279) 11.121 2.863 ( -6.362 4.272 -7.477) 10.706 2.863 ( -6.362 4.272 7.477) 10.706 3.045 ( -1.654 5.853 -3.164) 6.856 3.045 ( -1.654 5.853 3.164) 6.856 3.398 ( -2.615 -0.195 -3.900) 4.699 3.398 ( -2.615 -0.195 3.900) 4.699 3.879 ( 5.555 -1.299 -3.536) 6.712 3.879 ( 5.555 -1.299 3.536) 6.712 4.667 ( -5.336 -3.042 -1.354) 6.289 4.667 ( -5.336 -3.042 1.354) 6.289 4.829 ( -2.001 -2.106 -17.028) 17.274 4.829 ( -2.001 -2.106 17.028) 17.274 6.445 ( 2.193 5.742 -2.126) 6.504 6.445 ( 2.193 5.742 2.126) 6.504 6.702 ( 1.842 -8.167 -3.876) 9.225 6.702 ( 1.842 -8.167 3.876) 9.225 6.966 ( 6.308 1.055 -13.563) 14.995 6.966 ( 6.308 1.055 13.563) 14.995 7.114 ( 2.225 7.152 -11.197) 13.471 7.114 ( 2.225 7.152 11.197) 13.471 7.526 ( 22.701 6.009 -18.659) 29.993 7.526 ( 22.701 6.009 18.659) 29.993 9.092 ( -1.633 -15.146 -3.409) 15.610 9.092 ( -1.633 -15.146 3.409) 15.610 9.651 ( 0.039 9.618 -5.825) 11.245 9.651 ( 0.039 9.618 5.825) 11.245 10.137 ( 0.500 -2.370 -12.174) 12.413 10.137 ( 0.500 -2.370 12.174) 12.413 10.448 ( 6.850 14.428 -4.239) 16.524 10.448 ( 6.850 14.428 4.239) 16.524 11.935 ( -4.796 -6.916 -1.796) 8.606 11.935 ( -4.796 -6.916 1.796) 8.606 12.285 ( 2.035 -0.255 -3.889) 4.396 12.285 ( 2.035 -0.255 3.889) 4.396 13.904 ( -11.310 -2.603 -4.314) 12.382 13.904 ( -11.310 -2.603 4.314) 12.382 ======================= Grid point 292 (88/120) ======================= q-point: ( 0.25 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 13.103 8.367 -12.454) 19.920 1.392 ( 13.103 8.367 12.454) 19.920 1.552 ( 13.631 5.421 -14.447) 20.589 1.552 ( 13.631 5.421 14.447) 20.589 2.387 ( -2.187 3.271 -0.961) 4.050 2.387 ( -2.187 3.271 0.961) 4.050 2.449 ( 7.477 7.153 -0.831) 10.381 2.449 ( 7.477 7.153 0.831) 10.381 2.498 ( 5.018 4.684 -4.220) 8.058 2.498 ( 5.018 4.684 4.220) 8.058 2.678 ( -7.273 5.199 -7.554) 11.704 2.678 ( -7.273 5.199 7.554) 11.704 2.718 ( 7.124 9.620 -10.558) 15.961 2.718 ( 7.124 9.620 10.558) 15.961 3.007 ( -1.759 6.396 -2.924) 7.249 3.007 ( -1.759 6.396 2.924) 7.249 3.350 ( -1.890 -0.286 -4.303) 4.709 3.350 ( -1.890 -0.286 4.303) 4.709 4.004 ( 5.807 -1.121 -1.713) 6.157 4.004 ( 5.807 -1.121 1.713) 6.157 4.500 ( -10.647 -2.300 -1.713) 11.026 4.500 ( -10.647 -2.300 1.713) 11.026 4.768 ( -3.960 -1.921 -13.648) 14.340 4.768 ( -3.960 -1.921 13.648) 14.340 6.497 ( 2.836 3.276 -1.202) 4.497 6.497 ( 2.836 3.276 1.202) 4.497 6.755 ( 2.139 -4.701 -4.958) 7.159 6.755 ( 2.139 -4.701 4.958) 7.159 7.102 ( 5.061 2.592 -24.224) 24.882 7.102 ( 5.061 2.592 24.224) 24.882 7.169 ( 5.160 8.370 -4.821) 10.951 7.169 ( 5.160 8.370 4.821) 10.951 8.016 ( 22.009 0.357 -13.907) 26.037 8.016 ( 22.009 0.357 13.907) 26.037 9.064 ( -1.096 -13.431 -2.981) 13.802 9.064 ( -1.096 -13.431 2.981) 13.802 9.646 ( -0.493 12.095 -3.536) 12.611 9.646 ( -0.493 12.095 3.536) 12.611 10.151 ( 1.404 -3.871 -7.302) 8.383 10.151 ( 1.404 -3.871 7.302) 8.383 10.646 ( 11.879 13.965 -8.505) 20.210 10.646 ( 11.879 13.965 8.505) 20.210 11.804 ( -8.034 -7.233 -4.926) 11.879 11.804 ( -8.034 -7.233 4.926) 11.879 12.373 ( 7.270 -3.282 -10.146) 12.906 12.373 ( 7.270 -3.282 10.146) 12.906 13.625 ( -15.324 -0.812 -5.014) 16.144 13.625 ( -15.324 -0.812 5.014) 16.144 ======================= Grid point 294 (89/120) ======================= q-point: ( 0.38 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 13.907 6.898 -7.948) 17.441 1.673 ( 13.907 6.898 7.948) 17.441 1.810 ( 12.297 4.545 -11.677) 17.557 1.810 ( 12.297 4.545 11.677) 17.557 2.228 ( -10.228 4.605 -2.964) 11.602 2.228 ( -10.228 4.605 2.964) 11.602 2.376 ( -12.809 5.273 -3.195) 14.216 2.376 ( -12.809 5.273 3.195) 14.216 2.506 ( 1.280 7.396 -4.457) 8.729 2.506 ( 1.280 7.396 4.457) 8.729 2.725 ( 3.832 1.529 -2.571) 4.861 2.725 ( 3.832 1.529 2.571) 4.861 2.946 ( 2.040 4.630 -0.884) 5.136 2.946 ( 2.040 4.630 0.884) 5.136 3.102 ( 19.734 8.051 -12.998) 24.964 3.102 ( 19.734 8.051 12.998) 24.964 3.325 ( 0.038 0.239 -4.057) 4.064 3.325 ( 0.038 0.239 4.057) 4.064 4.018 ( -8.838 -0.309 -1.532) 8.975 4.018 ( -8.838 -0.309 1.532) 8.975 4.322 ( -2.492 -1.394 -2.285) 3.658 4.322 ( -2.492 -1.394 2.285) 3.658 4.676 ( -4.647 -1.490 -8.655) 9.936 4.676 ( -4.647 -1.490 8.655) 9.936 6.554 ( 2.448 -1.053 -0.220) 2.674 6.554 ( 2.448 -1.053 0.220) 2.674 6.770 ( -0.410 0.912 -3.919) 4.044 6.770 ( -0.410 0.912 3.919) 4.044 7.171 ( 2.661 8.099 -10.181) 13.279 7.171 ( 2.661 8.099 10.181) 13.279 7.290 ( 4.746 2.420 -2.663) 5.956 7.290 ( 4.746 2.420 2.663) 5.956 8.371 ( 12.736 -0.631 -5.834) 14.022 8.371 ( 12.736 -0.631 5.834) 14.022 9.033 ( -2.238 -12.001 -2.969) 12.564 9.033 ( -2.238 -12.001 2.969) 12.564 9.635 ( -0.458 13.984 -1.855) 14.114 9.635 ( -0.458 13.984 1.855) 14.114 10.195 ( 2.400 -3.460 -2.557) 4.926 10.195 ( 2.400 -3.460 2.557) 4.926 10.904 ( 12.652 7.043 -8.242) 16.661 10.904 ( 12.652 7.043 8.242) 16.661 11.611 ( -10.414 -3.673 -7.445) 13.319 11.611 ( -10.414 -3.673 7.445) 13.319 12.595 ( 14.323 -4.263 -12.317) 19.365 12.595 ( 14.323 -4.263 12.317) 19.365 13.292 ( -17.299 -0.957 -5.707) 18.241 13.292 ( -17.299 -0.957 5.707) 18.241 ======================= Grid point 296 (90/120) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.000 4.801 -0.000) 4.801 1.893 ( -0.000 4.801 0.000) 4.801 2.005 ( 0.000 3.557 -0.000) 3.557 2.005 ( 0.000 3.557 0.000) 3.557 2.067 ( -0.000 3.861 -0.000) 3.861 2.067 ( -0.000 3.861 0.000) 3.861 2.147 ( 0.000 9.248 -0.000) 9.248 2.147 ( 0.000 9.248 0.000) 9.248 2.524 ( -0.000 8.263 -0.000) 8.263 2.524 ( -0.000 8.263 0.000) 8.263 2.757 ( 0.000 -0.350 -0.000) 0.350 2.757 ( 0.000 -0.350 0.000) 0.350 2.954 ( 0.000 6.062 -0.000) 6.062 2.954 ( 0.000 6.062 0.000) 6.062 3.283 ( 0.000 0.124 -0.000) 0.124 3.283 ( 0.000 0.124 0.000) 0.124 3.497 ( -0.000 3.828 -0.000) 3.828 3.497 ( -0.000 3.828 0.000) 3.828 3.772 ( 0.000 1.894 -0.000) 1.894 3.772 ( 0.000 1.894 0.000) 1.894 4.338 ( 0.000 -1.747 -0.000) 1.747 4.338 ( 0.000 -1.747 0.000) 1.747 4.615 ( -0.000 -1.081 -0.000) 1.081 4.615 ( -0.000 -1.081 0.000) 1.081 6.582 ( -0.000 -4.117 -0.000) 4.117 6.582 ( 0.000 -4.117 0.000) 4.117 6.760 ( 0.000 4.431 -0.000) 4.431 6.760 ( -0.000 4.431 0.000) 4.431 7.202 ( 0.000 8.443 -0.000) 8.443 7.202 ( 0.000 8.443 0.000) 8.443 7.338 ( 0.000 2.027 -0.000) 2.027 7.338 ( -0.000 2.027 0.000) 2.027 8.511 ( 0.000 -0.626 0.000) 0.626 8.511 ( 0.000 -0.626 0.000) 0.626 8.997 ( 0.000 -12.138 -0.000) 12.138 8.997 ( 0.000 -12.138 0.000) 12.138 9.630 ( -0.000 14.955 -0.000) 14.955 9.630 ( 0.000 14.955 0.000) 14.955 10.224 ( 0.000 -2.134 -0.000) 2.134 10.224 ( 0.000 -2.134 0.000) 2.134 11.077 ( 0.000 -2.911 -0.000) 2.911 11.077 ( 0.000 -2.911 0.000) 2.911 11.461 ( 0.000 3.374 -0.000) 3.374 11.461 ( 0.000 3.374 0.000) 3.374 12.923 ( -0.000 1.010 -0.000) 1.010 12.923 ( 0.000 1.010 0.000) 1.010 12.937 ( -0.000 -6.275 -0.000) 6.275 12.937 ( 0.000 -6.275 0.000) 6.275 ======================= Grid point 306 (91/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.000 14.971 -12.607) 19.572 1.258 ( 0.000 14.971 12.607) 19.572 1.331 ( 0.000 11.845 -15.468) 19.482 1.331 ( 0.000 11.845 15.468) 19.482 2.417 ( 0.000 20.492 -21.097) 29.411 2.417 ( 0.000 20.492 21.097) 29.411 2.493 ( 0.000 4.308 -7.458) 8.613 2.493 ( 0.000 4.308 7.458) 8.613 2.633 ( 0.000 7.912 -5.106) 9.417 2.633 ( 0.000 7.912 5.106) 9.417 2.849 ( 0.000 13.937 -2.476) 14.155 2.849 ( 0.000 13.937 2.476) 14.155 3.082 ( 0.000 10.717 -5.126) 11.880 3.082 ( 0.000 10.717 5.126) 11.880 3.159 ( 0.000 4.376 -5.799) 7.265 3.159 ( 0.000 4.376 5.799) 7.265 3.496 ( 0.000 7.255 -2.767) 7.764 3.496 ( 0.000 7.255 2.767) 7.764 3.773 ( 0.000 -2.575 -3.778) 4.573 3.773 ( 0.000 -2.575 3.778) 4.573 4.634 ( 0.000 -5.665 -2.263) 6.100 4.634 ( 0.000 -5.665 2.263) 6.100 4.800 ( 0.000 -2.671 -15.817) 16.041 4.800 ( 0.000 -2.671 15.817) 16.041 6.539 ( 0.000 -3.973 -5.074) 6.445 6.539 ( 0.000 -3.973 5.074) 6.445 6.575 ( 0.000 6.652 -2.243) 7.020 6.575 ( 0.000 6.652 2.243) 7.020 6.951 ( 0.000 4.034 -2.908) 4.973 6.951 ( 0.000 4.034 2.908) 4.973 7.013 ( 0.000 -1.783 -33.140) 33.188 7.013 ( 0.000 -1.783 33.140) 33.188 7.608 ( 0.000 15.156 -8.900) 17.576 7.608 ( 0.000 15.156 8.900) 17.576 8.847 ( 0.000 -11.113 -1.270) 11.185 8.847 ( 0.000 -11.113 1.270) 11.185 9.761 ( 0.000 4.241 -6.040) 7.380 9.761 ( 0.000 4.241 6.040) 7.380 10.105 ( 0.000 -1.160 -12.396) 12.450 10.105 ( 0.000 -1.160 12.396) 12.450 10.718 ( 0.000 19.641 -2.997) 19.868 10.718 ( 0.000 19.641 2.997) 19.868 11.687 ( 0.000 -22.277 -4.444) 22.716 11.687 ( 0.000 -22.277 4.444) 22.716 12.364 ( 0.000 6.024 -15.822) 16.930 12.364 ( 0.000 6.024 15.822) 16.930 13.941 ( 0.000 -4.628 -4.498) 6.453 13.941 ( 0.000 -4.628 4.498) 6.453 ======================= Grid point 308 (92/120) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 8.030 10.973 -14.152) 19.625 1.357 ( 8.030 10.973 14.152) 19.625 1.447 ( 10.992 11.745 -13.086) 20.737 1.447 ( 10.992 11.745 13.086) 20.737 2.444 ( 1.948 11.241 -6.375) 13.069 2.444 ( 1.948 11.241 6.375) 13.069 2.520 ( 3.659 10.406 -4.154) 11.787 2.520 ( 3.659 10.406 4.154) 11.787 2.627 ( -1.376 6.790 -3.581) 7.799 2.627 ( -1.376 6.790 3.581) 7.799 2.872 ( 2.462 14.692 -5.208) 15.781 2.872 ( 2.462 14.692 5.208) 15.781 3.018 ( -5.634 11.734 -3.626) 13.512 3.018 ( -5.634 11.734 3.626) 13.512 3.159 ( -0.240 5.582 -5.661) 7.954 3.159 ( -0.240 5.582 5.661) 7.954 3.436 ( -4.326 4.478 -1.169) 6.335 3.436 ( -4.326 4.478 1.169) 6.335 3.852 ( 6.281 -1.005 -3.704) 7.361 3.852 ( 6.281 -1.005 3.704) 7.361 4.588 ( -4.622 -4.942 -1.286) 6.888 4.588 ( -4.622 -4.942 1.286) 6.888 4.779 ( -1.987 -2.700 -14.858) 15.232 4.779 ( -1.987 -2.700 14.858) 15.232 6.532 ( -1.004 -1.947 -5.706) 6.112 6.532 ( -1.004 -1.947 5.706) 6.112 6.638 ( 6.539 6.235 -1.493) 9.158 6.638 ( 6.539 6.235 1.493) 9.158 6.989 ( 4.051 1.082 -21.905) 22.302 6.989 ( 4.051 1.082 21.905) 22.302 7.195 ( 12.196 2.280 -10.627) 16.337 7.195 ( 12.196 2.280 10.627) 16.337 7.698 ( 10.585 10.609 -13.714) 20.314 7.698 ( 10.585 10.609 13.714) 20.314 8.840 ( -0.382 -10.429 -1.904) 10.608 8.840 ( -0.382 -10.429 1.904) 10.608 9.789 ( 1.706 5.138 -3.422) 6.405 9.789 ( 1.706 5.138 3.422) 6.405 10.102 ( 0.198 -1.897 -12.888) 13.028 10.102 ( 0.198 -1.897 12.888) 13.028 10.779 ( 5.892 18.688 -4.881) 20.194 10.779 ( 5.892 18.688 4.881) 20.194 11.645 ( -3.865 -21.549 -4.422) 22.334 11.645 ( -3.865 -21.549 4.422) 22.334 12.343 ( -1.483 4.828 -15.623) 16.419 12.343 ( -1.483 4.828 15.623) 16.419 13.846 ( -8.804 -3.054 -4.824) 10.494 13.846 ( -8.804 -3.054 4.825) 10.494 ======================= Grid point 310 (93/120) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 11.505 8.208 -11.413) 18.165 1.559 ( 11.505 8.208 11.413) 18.165 1.700 ( 12.458 9.248 -10.671) 18.831 1.700 ( 12.458 9.248 10.671) 18.831 2.450 ( -3.243 2.798 -3.071) 5.271 2.450 ( -3.243 2.798 3.071) 5.271 2.557 ( -0.634 3.260 -4.665) 5.726 2.557 ( -0.634 3.260 4.665) 5.726 2.684 ( 7.450 13.967 -5.132) 16.641 2.684 ( 7.450 13.967 5.132) 16.641 2.823 ( -8.195 9.528 -3.311) 12.997 2.823 ( -8.195 9.528 3.311) 12.997 2.999 ( 5.064 16.374 -11.507) 20.644 2.999 ( 5.064 16.374 11.507) 20.644 3.155 ( 1.271 8.951 -3.261) 9.611 3.155 ( 1.271 8.951 3.261) 9.611 3.364 ( -2.251 2.350 -1.691) 3.668 3.364 ( -2.251 2.350 1.691) 3.668 3.984 ( 5.876 -0.585 -2.045) 6.249 3.984 ( 5.876 -0.585 2.045) 6.249 4.448 ( -8.670 -2.608 -1.721) 9.216 4.448 ( -8.670 -2.608 1.721) 9.216 4.722 ( -3.551 -2.418 -11.931) 12.680 4.722 ( -3.551 -2.418 11.931) 12.680 6.515 ( -0.637 -1.745 -3.788) 4.219 6.515 ( -0.637 -1.745 3.788) 4.219 6.782 ( 6.068 7.203 -4.285) 10.347 6.782 ( 6.068 7.203 4.285) 10.347 7.109 ( 7.600 -0.126 -23.417) 24.620 7.109 ( 7.600 -0.126 23.417) 24.620 7.358 ( 4.405 9.128 -4.520) 11.097 7.358 ( 4.405 9.128 4.520) 11.097 8.037 ( 19.121 2.106 -11.730) 22.531 8.037 ( 19.121 2.106 11.730) 22.531 8.842 ( 0.438 -9.212 -1.191) 9.299 8.842 ( 0.438 -9.212 1.191) 9.299 9.800 ( -0.198 3.292 -0.589) 3.350 9.800 ( -0.198 3.292 0.589) 3.350 10.127 ( 1.843 0.975 -11.492) 11.679 10.127 ( 1.843 0.975 11.492) 11.679 10.933 ( 7.812 14.037 -7.929) 17.915 10.933 ( 7.812 14.037 7.929) 17.915 11.556 ( -3.848 -17.388 -5.703) 18.700 11.556 ( -3.848 -17.388 5.703) 18.700 12.347 ( 3.175 1.175 -15.605) 15.968 12.347 ( 3.175 1.175 15.605) 15.968 13.608 ( -14.108 -0.777 -4.596) 14.858 13.608 ( -14.108 -0.777 4.596) 14.858 ======================= Grid point 312 (94/120) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 11.852 6.104 -8.036) 15.567 1.803 ( 11.852 6.104 8.036) 15.567 1.945 ( 11.668 8.410 -8.330) 16.621 1.945 ( 11.668 8.410 8.330) 16.621 2.306 ( -9.010 3.712 -3.613) 10.393 2.306 ( -9.010 3.712 3.613) 10.393 2.529 ( -8.294 8.166 -1.413) 11.725 2.529 ( -8.294 8.166 1.413) 11.725 2.654 ( 0.650 6.384 -4.564) 7.874 2.654 ( 0.650 6.384 4.564) 7.874 2.805 ( -0.293 7.526 -1.576) 7.695 2.805 ( -0.293 7.526 1.576) 7.695 3.064 ( 1.663 6.626 -0.591) 6.857 3.064 ( 1.663 6.626 0.591) 6.857 3.281 ( 4.936 6.308 -4.521) 9.198 3.281 ( 4.936 6.308 4.521) 9.198 3.388 ( 9.536 10.288 -6.355) 15.400 3.388 ( 9.536 10.288 6.355) 15.400 4.018 ( -5.671 0.555 -1.723) 5.952 4.018 ( -5.671 0.555 1.723) 5.952 4.300 ( -2.782 -0.301 -2.713) 3.897 4.300 ( -2.782 -0.301 2.713) 3.897 4.642 ( -3.914 -1.604 -7.282) 8.421 4.642 ( -3.914 -1.604 7.282) 8.421 6.506 ( -0.300 -2.996 -2.065) 3.651 6.506 ( -0.300 -2.996 2.065) 3.651 6.859 ( 1.729 7.022 -3.409) 7.995 6.859 ( 1.729 7.022 3.409) 7.995 7.274 ( 7.734 2.978 -18.970) 20.701 7.274 ( 7.734 2.978 18.970) 20.701 7.414 ( 1.192 9.338 -9.446) 13.336 7.414 ( 1.192 9.338 9.446) 13.336 8.364 ( 12.197 0.123 -5.047) 13.200 8.364 ( 12.197 0.123 5.047) 13.200 8.833 ( -2.042 -8.394 -2.761) 9.069 8.833 ( -2.042 -8.394 2.761) 9.069 9.823 ( 2.803 3.408 -1.739) 4.743 9.823 ( 2.803 3.408 1.739) 4.743 10.152 ( 0.319 -0.008 -6.756) 6.764 10.152 ( 0.319 -0.008 6.756) 6.764 11.027 ( 0.995 3.580 -7.016) 7.939 11.027 ( 0.995 3.580 7.016) 7.939 11.518 ( -0.078 -5.033 -6.456) 8.186 11.518 ( -0.078 -5.033 6.456) 8.186 12.515 ( 13.600 -2.566 -13.116) 19.067 12.515 ( 13.600 -2.566 13.116) 19.067 13.281 ( -17.810 0.116 -4.571) 18.388 13.281 ( -17.810 0.116 4.571) 18.388 ======================= Grid point 314 (95/120) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.000 3.998 -0.000) 3.998 1.982 ( -0.000 3.998 0.000) 3.998 2.093 ( -0.000 5.524 -0.000) 5.524 2.093 ( -0.000 5.524 0.000) 5.524 2.187 ( -0.000 7.701 -0.000) 7.701 2.187 ( 0.000 7.701 0.000) 7.701 2.361 ( 0.000 10.986 -0.000) 10.986 2.361 ( 0.000 10.986 0.000) 10.986 2.715 ( -0.000 10.181 -0.000) 10.181 2.715 ( 0.000 10.181 0.000) 10.181 2.757 ( 0.000 0.025 -0.000) 0.025 2.757 ( 0.000 0.025 0.000) 0.025 3.085 ( 0.000 6.645 -0.000) 6.645 3.085 ( 0.000 6.645 0.000) 6.645 3.301 ( 0.000 2.060 -0.000) 2.060 3.301 ( 0.000 2.060 0.000) 2.060 3.626 ( -0.000 9.705 -0.000) 9.705 3.626 ( -0.000 9.705 0.000) 9.705 3.838 ( 0.000 5.088 -0.000) 5.088 3.838 ( 0.000 5.088 0.000) 5.088 4.304 ( 0.000 -1.237 -0.000) 1.237 4.304 ( 0.000 -1.237 0.000) 1.237 4.593 ( -0.000 -0.869 -0.000) 0.869 4.593 ( -0.000 -0.869 0.000) 0.869 6.503 ( 0.000 -3.632 -0.000) 3.632 6.503 ( 0.000 -3.632 0.000) 3.632 6.873 ( -0.000 6.619 -0.000) 6.619 6.873 ( -0.000 6.619 0.000) 6.619 7.392 ( -0.000 10.344 -0.001) 10.344 7.392 ( -0.000 10.344 0.001) 10.344 7.394 ( 0.000 3.628 -0.001) 3.628 7.394 ( 0.000 3.628 0.001) 3.628 8.507 ( 0.000 0.486 0.000) 0.486 8.507 ( 0.000 0.486 0.000) 0.486 8.787 ( 0.000 -9.394 0.000) 9.394 8.787 ( 0.000 -9.394 0.000) 9.394 9.868 ( -0.000 8.039 -0.000) 8.039 9.868 ( -0.000 8.039 0.000) 8.039 10.149 ( 0.000 -5.726 -0.000) 5.726 10.149 ( 0.000 -5.726 0.000) 5.726 11.024 ( 0.000 -1.732 -0.000) 1.732 11.024 ( 0.000 -1.732 0.000) 1.732 11.522 ( 0.000 1.705 -0.000) 1.705 11.522 ( 0.000 1.705 0.000) 1.705 12.804 ( 0.000 -5.857 0.000) 5.857 12.804 ( 0.000 -5.857 0.000) 5.857 12.957 ( -0.000 2.609 -0.000) 2.609 12.957 ( 0.000 2.609 0.000) 2.609 ======================= Grid point 324 (96/120) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 12.888 -5.082) 13.854 1.546 ( 0.000 12.888 5.082) 13.854 1.587 ( 0.000 15.980 -3.665) 16.395 1.587 ( 0.000 15.980 3.665) 16.395 2.594 ( 0.000 6.183 -6.194) 8.752 2.594 ( 0.000 6.183 6.194) 8.752 2.701 ( 0.000 6.779 -8.939) 11.219 2.701 ( 0.000 6.779 8.939) 11.219 2.806 ( 0.000 8.851 -5.814) 10.589 2.806 ( 0.000 8.851 5.814) 10.589 3.134 ( 0.000 13.618 -2.979) 13.940 3.134 ( 0.000 13.618 2.979) 13.940 3.199 ( 0.000 6.331 -8.225) 10.379 3.199 ( 0.000 6.331 8.225) 10.379 3.419 ( 0.000 19.200 -1.088) 19.231 3.419 ( 0.000 19.200 1.088) 19.231 3.636 ( 0.000 1.859 -6.069) 6.347 3.636 ( 0.000 1.859 6.069) 6.347 3.762 ( 0.000 5.742 -1.612) 5.963 3.762 ( 0.000 5.742 1.612) 5.963 4.502 ( 0.000 -7.773 -2.837) 8.274 4.502 ( 0.000 -7.773 2.837) 8.274 4.751 ( 0.000 -2.158 -11.542) 11.742 4.751 ( 0.000 -2.158 11.542) 11.742 6.450 ( 0.000 -3.107 -4.456) 5.433 6.450 ( 0.000 -3.107 4.456) 5.433 6.754 ( 0.000 9.269 -6.727) 11.453 6.754 ( 0.000 9.269 6.727) 11.453 6.987 ( 0.000 -0.244 -33.164) 33.165 6.987 ( 0.000 -0.244 33.164) 33.165 7.040 ( 0.000 4.460 -0.998) 4.570 7.040 ( 0.000 4.460 0.998) 4.570 7.880 ( 0.000 12.872 -8.525) 15.439 7.880 ( 0.000 12.872 8.525) 15.439 8.679 ( 0.000 -6.299 -0.971) 6.373 8.679 ( 0.000 -6.299 0.971) 6.373 9.819 ( 0.000 1.468 -8.393) 8.520 9.819 ( 0.000 1.468 8.393) 8.520 10.076 ( 0.000 -2.229 -8.990) 9.262 10.076 ( 0.000 -2.229 8.990) 9.262 11.098 ( 0.000 14.701 -9.215) 17.350 11.098 ( 0.000 14.701 9.215) 17.350 11.190 ( 0.000 -23.530 -3.369) 23.770 11.190 ( 0.000 -23.530 3.369) 23.770 12.459 ( 0.000 3.458 -21.772) 22.045 12.459 ( 0.000 3.458 21.772) 22.045 13.859 ( 0.000 -3.769 -4.435) 5.820 13.859 ( 0.000 -3.769 4.435) 5.820 ======================= Grid point 326 (97/120) ======================= q-point: ( 0.12 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 4.353 11.824 -10.571) 16.447 1.580 ( 4.353 11.824 10.571) 16.447 1.696 ( 8.652 13.555 -9.152) 18.502 1.696 ( 8.652 13.555 9.152) 18.502 2.564 ( -2.415 5.441 -5.180) 7.891 2.564 ( -2.415 5.441 5.180) 7.891 2.679 ( -2.221 4.611 -5.848) 7.771 2.679 ( -2.221 4.611 5.848) 7.771 2.836 ( 2.803 9.107 -5.160) 10.836 2.836 ( 2.803 9.107 5.160) 10.836 3.138 ( -1.385 12.676 -4.163) 13.414 3.138 ( -1.385 12.676 4.163) 13.414 3.196 ( 0.477 6.258 -5.701) 8.479 3.196 ( 0.477 6.258 5.701) 8.479 3.404 ( -1.073 19.063 -3.722) 19.453 3.404 ( -1.073 19.063 3.722) 19.453 3.533 ( -5.594 4.500 -5.390) 8.978 3.533 ( -5.594 4.500 5.390) 8.978 3.869 ( 6.809 3.696 -3.647) 8.563 3.869 ( 6.809 3.696 3.647) 8.563 4.480 ( -2.213 -5.881 -1.185) 6.394 4.480 ( -2.213 -5.881 1.185) 6.394 4.734 ( -1.647 -1.697 -10.917) 11.170 4.734 ( -1.647 -1.697 10.917) 11.170 6.471 ( 1.137 -2.424 -4.482) 5.220 6.471 ( 1.137 -2.424 4.482) 5.220 6.822 ( 6.509 10.185 -2.571) 12.358 6.822 ( 6.509 10.185 2.571) 12.358 7.003 ( 2.521 0.574 -29.893) 30.004 7.003 ( 2.521 0.574 29.893) 30.004 7.241 ( 16.032 2.815 -5.019) 17.033 7.241 ( 16.032 2.815 5.019) 17.033 7.912 ( 4.153 11.029 -10.177) 15.571 7.912 ( 4.153 11.029 10.177) 15.571 8.684 ( 0.526 -5.853 -0.532) 5.901 8.684 ( 0.526 -5.853 0.532) 5.901 9.859 ( 1.221 1.712 -2.669) 3.398 9.859 ( 1.221 1.712 2.669) 3.398 10.050 ( 0.345 -3.375 -13.176) 13.606 10.050 ( 0.345 -3.375 13.176) 13.606 11.058 ( -4.267 -8.528 -8.953) 13.080 11.058 ( -4.267 -8.528 8.953) 13.080 11.238 ( 5.074 -1.054 -2.039) 5.569 11.238 ( 5.074 -1.054 2.039) 5.569 12.431 ( -2.243 3.828 -21.153) 21.613 12.431 ( -2.243 3.828 21.153) 21.613 13.790 ( -6.613 -2.625 -4.343) 8.336 13.790 ( -6.613 -2.625 4.343) 8.336 ======================= Grid point 328 (98/120) ======================= q-point: ( 0.25 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 8.914 8.541 -8.803) 15.163 1.719 ( 8.914 8.541 8.803) 15.163 1.895 ( 10.335 10.367 -7.563) 16.477 1.895 ( 10.335 10.367 7.563) 16.477 2.504 ( -4.138 3.072 -2.959) 5.942 2.504 ( -4.138 3.072 2.959) 5.942 2.626 ( -1.662 3.874 -3.184) 5.283 2.626 ( -1.662 3.874 3.184) 5.283 2.884 ( -0.710 4.940 -7.414) 8.937 2.884 ( -0.710 4.940 7.414) 8.937 3.054 ( -4.293 13.055 -1.021) 13.781 3.054 ( -4.293 13.055 1.021) 13.781 3.205 ( -1.900 6.060 -6.602) 9.161 3.205 ( -1.900 6.060 6.602) 9.161 3.353 ( -2.039 5.097 -1.084) 5.596 3.353 ( -2.039 5.097 1.084) 5.596 3.534 ( 5.696 18.633 -8.449) 21.237 3.534 ( 5.696 18.633 8.449) 21.237 3.995 ( 5.100 1.967 -2.522) 6.020 3.995 ( 5.100 1.967 2.522) 6.020 4.411 ( -4.364 -0.884 -2.539) 5.125 4.411 ( -4.364 -0.884 2.539) 5.125 4.688 ( -2.762 -0.693 -8.718) 9.172 4.688 ( -2.762 -0.693 8.718) 9.172 6.476 ( -0.561 -1.541 -4.383) 4.680 6.476 ( -0.561 -1.541 4.383) 4.680 6.955 ( 4.141 8.270 -1.970) 9.456 6.955 ( 4.141 8.270 1.970) 9.456 7.118 ( 9.809 2.209 -24.854) 26.811 7.118 ( 9.809 2.209 24.854) 26.811 7.516 ( 8.271 7.272 -6.096) 12.587 7.516 ( 8.271 7.272 6.096) 12.587 8.103 ( 14.143 4.596 -8.729) 17.244 8.103 ( 14.143 4.596 8.729) 17.244 8.704 ( 1.367 -5.010 -1.453) 5.392 8.704 ( 1.367 -5.010 1.453) 5.392 9.794 ( -4.678 -3.398 -1.964) 6.106 9.794 ( -4.678 -3.398 1.964) 6.106 10.152 ( 5.873 1.045 -12.645) 13.981 10.152 ( 5.873 1.045 12.645) 13.981 10.964 ( -3.268 -18.794 -7.170) 20.379 10.964 ( -3.268 -18.794 7.170) 20.379 11.368 ( 6.669 6.587 -5.211) 10.725 11.368 ( 6.669 6.587 5.211) 10.725 12.405 ( 1.025 4.261 -18.889) 19.391 12.405 ( 1.025 4.261 18.889) 19.391 13.597 ( -12.246 -0.421 -3.803) 12.830 13.597 ( -12.246 -0.421 3.803) 12.830 ======================= Grid point 330 (99/120) ======================= q-point: ( 0.38 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 9.709 5.651 -6.044) 12.757 1.917 ( 9.709 5.651 6.044) 12.757 2.108 ( 10.336 8.126 -6.011) 14.456 2.108 ( 10.336 8.126 6.011) 14.456 2.384 ( -6.758 4.230 -2.351) 8.312 2.384 ( -6.758 4.230 2.351) 8.312 2.631 ( -0.041 2.813 -2.256) 3.606 2.631 ( -0.041 2.813 2.256) 3.606 2.760 ( -7.192 4.422 -3.847) 9.278 2.760 ( -7.192 4.422 3.847) 9.278 2.977 ( -5.672 8.252 -2.047) 10.220 2.977 ( -5.672 8.252 2.047) 10.220 3.170 ( 0.575 3.572 -0.882) 3.724 3.170 ( 0.575 3.572 0.882) 3.724 3.356 ( 0.969 3.668 -2.445) 4.513 3.356 ( 0.969 3.668 2.445) 4.513 3.704 ( 9.998 18.962 -8.751) 23.154 3.704 ( 9.998 18.962 8.751) 23.154 4.046 ( -1.243 2.419 -2.017) 3.386 4.046 ( -1.243 2.419 2.017) 3.386 4.328 ( -2.710 3.397 -3.972) 5.888 4.328 ( -2.710 3.397 3.972) 5.888 4.630 ( -2.640 0.803 -4.891) 5.616 4.630 ( -2.640 0.803 4.891) 5.616 6.459 ( -0.837 -1.540 -2.946) 3.428 6.459 ( -0.837 -1.540 2.946) 3.428 6.992 ( 0.410 5.425 -4.591) 7.118 6.992 ( 0.410 5.425 4.591) 7.118 7.347 ( 10.783 5.479 -14.664) 19.008 7.347 ( 10.783 5.479 14.664) 19.008 7.599 ( 0.998 9.358 -9.413) 13.311 7.599 ( 0.998 9.358 9.413) 13.311 8.378 ( 11.334 1.125 -3.757) 11.993 8.378 ( 11.334 1.125 3.757) 11.993 8.707 ( -2.302 -4.342 -3.454) 6.007 8.707 ( -2.302 -4.342 3.454) 6.007 9.777 ( 4.320 -6.398 -1.003) 7.785 9.777 ( 4.320 -6.398 1.003) 7.785 10.157 ( -5.993 -1.545 -4.892) 7.889 10.157 ( -5.993 -1.545 4.892) 7.889 10.973 ( 3.484 -8.937 -5.201) 10.911 10.973 ( 3.484 -8.937 5.201) 10.911 11.469 ( 2.622 0.326 -4.369) 5.106 11.469 ( 2.622 0.326 4.369) 5.106 12.527 ( 11.361 3.696 -13.010) 17.664 12.527 ( 11.361 3.696 13.010) 17.664 13.299 ( -16.594 1.590 -3.448) 17.022 13.299 ( -16.594 1.590 3.448) 17.022 ======================= Grid point 332 (100/120) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.000 3.272 -0.000) 3.272 2.052 ( 0.000 3.272 0.000) 3.272 2.217 ( 0.000 6.992 -0.000) 6.992 2.217 ( -0.000 6.992 0.000) 6.992 2.329 ( 0.000 6.395 -0.000) 6.395 2.329 ( 0.000 6.395 0.000) 6.395 2.539 ( -0.000 7.203 -0.000) 7.203 2.539 ( 0.000 7.203 0.000) 7.203 2.747 ( 0.000 -1.098 0.000) 1.098 2.747 ( 0.000 -1.098 0.000) 1.098 2.884 ( 0.000 6.550 -0.000) 6.550 2.884 ( -0.000 6.550 0.000) 6.550 3.185 ( -0.000 3.022 -0.000) 3.022 3.185 ( 0.000 3.022 0.000) 3.022 3.368 ( 0.000 4.452 -0.000) 4.452 3.368 ( 0.000 4.452 0.000) 4.452 3.871 ( -0.000 14.765 -0.000) 14.765 3.871 ( -0.000 14.765 0.000) 14.765 3.967 ( 0.000 7.640 -0.000) 7.640 3.967 ( 0.000 7.640 0.000) 7.640 4.310 ( 0.000 2.310 -0.000) 2.310 4.310 ( 0.000 2.310 0.000) 2.310 4.598 ( -0.000 1.933 -0.000) 1.933 4.598 ( 0.000 1.933 0.000) 1.933 6.449 ( 0.000 -1.676 0.000) 1.676 6.449 ( 0.000 -1.676 0.000) 1.676 6.994 ( 0.000 5.006 -0.000) 5.006 6.994 ( 0.000 5.006 0.000) 5.006 7.487 ( 0.000 6.347 -0.000) 6.347 7.487 ( 0.000 6.347 0.000) 6.347 7.587 ( 0.000 9.443 -0.000) 9.443 7.587 ( 0.000 9.443 0.000) 9.443 8.541 ( 0.000 3.210 -0.000) 3.210 8.541 ( 0.000 3.210 0.000) 3.210 8.626 ( -0.000 -7.357 -0.000) 7.357 8.626 ( -0.000 -7.357 0.000) 7.357 9.918 ( -0.000 -2.599 -0.000) 2.599 9.918 ( -0.000 -2.599 0.000) 2.599 9.998 ( 0.000 -9.771 0.000) 9.771 9.998 ( 0.000 -9.771 0.000) 9.771 11.025 ( 0.000 1.461 -0.000) 1.461 11.025 ( 0.000 1.461 0.000) 1.461 11.488 ( 0.000 -5.418 -0.000) 5.418 11.488 ( 0.000 -5.418 0.000) 5.418 12.756 ( 0.000 1.242 0.000) 1.242 12.756 ( 0.000 1.242 0.000) 1.242 13.024 ( -0.000 4.027 0.000) 4.027 13.024 ( 0.000 4.027 0.000) 4.027 ======================= Grid point 342 (101/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 12.127 -4.641) 12.985 1.786 ( 0.000 12.127 4.641) 12.985 1.915 ( 0.000 16.958 -6.349) 18.107 1.915 ( 0.000 16.958 6.349) 18.107 2.713 ( 0.000 4.800 -4.182) 6.366 2.713 ( 0.000 4.800 4.182) 6.366 2.799 ( 0.000 4.035 -6.545) 7.689 2.799 ( 0.000 4.035 6.545) 7.689 2.888 ( 0.000 2.256 -0.754) 2.379 2.888 ( 0.000 2.256 0.754) 2.379 3.294 ( 0.000 5.758 -3.742) 6.868 3.294 ( 0.000 5.758 3.742) 6.868 3.402 ( 0.000 7.398 -7.796) 10.748 3.402 ( 0.000 7.398 7.796) 10.748 3.599 ( 0.000 -1.000 -4.078) 4.199 3.599 ( 0.000 -1.000 4.078) 4.199 3.810 ( 0.000 19.056 -4.274) 19.529 3.810 ( 0.000 19.056 4.274) 19.529 3.964 ( 0.000 11.847 -2.679) 12.146 3.964 ( 0.000 11.847 2.679) 12.146 4.336 ( 0.000 -9.145 -2.905) 9.595 4.336 ( 0.000 -9.145 2.905) 9.595 4.729 ( 0.000 0.400 -6.472) 6.484 4.729 ( 0.000 0.400 6.472) 6.484 6.429 ( 0.000 1.033 -0.046) 1.034 6.429 ( 0.000 1.033 0.046) 1.034 6.886 ( 0.000 2.734 -31.977) 32.094 6.886 ( 0.000 2.734 31.977) 32.094 7.029 ( 0.000 5.725 -9.186) 10.824 7.029 ( 0.000 5.725 9.186) 10.824 7.125 ( 0.000 4.057 -0.766) 4.128 7.125 ( 0.000 4.057 0.766) 4.128 8.115 ( 0.000 11.257 -6.394) 12.947 8.115 ( 0.000 11.257 6.394) 12.947 8.592 ( 0.000 -2.908 -0.861) 3.033 8.592 ( 0.000 -2.908 0.861) 3.033 9.791 ( 0.000 -6.543 -7.601) 10.030 9.791 ( 0.000 -6.543 7.601) 10.030 9.996 ( 0.000 -5.607 -13.344) 14.474 9.996 ( 0.000 -5.607 13.344) 14.474 10.681 ( 0.000 -20.303 -10.998) 23.090 10.681 ( 0.000 -20.303 10.998) 23.090 11.435 ( 0.000 13.777 -8.199) 16.032 11.435 ( 0.000 13.777 8.199) 16.032 12.501 ( 0.000 1.146 -22.364) 22.393 12.501 ( 0.000 1.146 22.364) 22.393 13.794 ( 0.000 -2.872 -3.368) 4.426 13.794 ( 0.000 -2.872 3.368) 4.426 ======================= Grid point 344 (102/120) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 2.740 12.140 -5.760) 13.714 1.815 ( 2.740 12.140 5.760) 13.714 1.966 ( 4.764 14.036 -6.529) 16.197 1.966 ( 4.764 14.036 6.529) 16.197 2.675 ( -3.836 5.484 -3.919) 7.756 2.675 ( -3.836 5.484 3.919) 7.756 2.760 ( -2.763 3.604 -5.410) 7.063 2.760 ( -2.763 3.604 5.410) 7.063 2.907 ( 1.217 0.552 -1.703) 2.165 2.907 ( 1.217 0.552 1.703) 2.165 3.307 ( -1.004 4.398 -2.788) 5.303 3.307 ( -1.004 4.398 2.788) 5.303 3.342 ( -2.530 5.869 -4.181) 7.638 3.342 ( -2.530 5.869 4.181) 7.638 3.563 ( -5.785 3.382 -5.265) 8.521 3.563 ( -5.785 3.382 5.265) 8.521 3.804 ( 1.563 15.774 -8.489) 17.981 3.804 ( 1.563 15.774 8.489) 17.981 4.001 ( 3.537 9.743 -3.333) 10.888 4.001 ( 3.537 9.743 3.333) 10.888 4.374 ( 2.901 -4.327 -0.261) 5.216 4.374 ( 2.901 -4.327 0.261) 5.216 4.726 ( -0.384 1.319 -5.924) 6.082 4.726 ( -0.384 1.319 5.924) 6.082 6.454 ( 1.564 0.876 -1.179) 2.146 6.454 ( 1.564 0.876 1.179) 2.146 6.949 ( 4.431 0.710 -27.398) 27.764 6.949 ( 4.431 0.710 27.398) 27.764 7.075 ( 5.283 8.651 -9.748) 14.063 7.075 ( 5.283 8.651 9.748) 14.063 7.304 ( 16.494 3.492 -2.461) 17.039 7.304 ( 16.494 3.492 2.461) 17.039 8.123 ( 1.348 10.499 -7.212) 12.808 8.123 ( 1.348 10.499 7.212) 12.808 8.604 ( 1.175 -2.588 -1.725) 3.325 8.604 ( 1.175 -2.588 1.725) 3.325 9.801 ( -2.900 -10.064 -3.872) 11.166 9.801 ( -2.900 -10.064 3.872) 11.166 9.990 ( 3.901 -1.985 -14.993) 15.619 9.990 ( 3.901 -1.985 14.993) 15.619 10.617 ( -5.952 -21.128 -11.100) 24.597 10.617 ( -5.952 -21.128 11.100) 24.597 11.480 ( 3.792 12.288 -8.592) 15.465 11.480 ( 3.792 12.288 8.592) 15.465 12.489 ( -0.852 2.248 -21.438) 21.573 12.489 ( -0.852 2.248 21.438) 21.573 13.744 ( -4.973 -2.116 -3.206) 6.284 13.744 ( -4.973 -2.116 3.206) 6.284 ======================= Grid point 346 (103/120) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 5.429 9.783 -5.112) 12.301 1.898 ( 5.429 9.783 5.112) 12.301 2.093 ( 7.414 9.804 -4.755) 13.180 2.093 ( 7.414 9.804 4.755) 13.180 2.575 ( -5.425 4.140 -1.765) 7.048 2.575 ( -5.425 4.140 1.765) 7.048 2.705 ( -2.370 4.010 -1.756) 4.978 2.705 ( -2.370 4.010 1.756) 4.978 2.910 ( -1.855 -1.126 -2.957) 3.667 2.910 ( -1.855 -1.126 2.957) 3.667 3.220 ( -3.663 2.200 -4.156) 5.961 3.220 ( -3.663 2.200 4.156) 5.961 3.326 ( -8.480 6.586 -1.135) 10.797 3.326 ( -8.480 6.586 1.135) 10.797 3.405 ( -1.732 2.104 -2.780) 3.893 3.405 ( -1.732 2.104 2.780) 3.893 3.899 ( 6.675 13.803 -9.942) 18.274 3.899 ( 6.675 13.803 9.942) 18.274 4.080 ( 3.593 8.530 -3.801) 10.006 4.080 ( 3.593 8.530 3.801) 10.006 4.423 ( 1.477 2.231 -3.988) 4.802 4.423 ( 1.477 2.231 3.988) 4.802 4.712 ( -1.013 3.421 -4.280) 5.572 4.712 ( -1.013 3.421 4.280) 5.572 6.467 ( -0.341 0.791 -2.541) 2.683 6.467 ( -0.341 0.791 2.541) 2.683 7.013 ( 2.002 -1.212 -18.244) 18.393 7.013 ( 2.002 -1.212 18.244) 18.393 7.260 ( 11.823 10.729 -12.003) 19.974 7.260 ( 11.823 10.729 12.003) 19.974 7.648 ( 12.963 6.486 -5.884) 15.644 7.648 ( 12.963 6.486 5.884) 15.644 8.209 ( 7.737 5.885 -5.466) 11.152 8.209 ( 7.737 5.885 5.466) 11.152 8.643 ( 2.686 -1.232 -4.110) 5.063 8.643 ( 2.686 -1.232 4.110) 5.063 9.663 ( -7.272 -10.372 -1.729) 12.785 9.663 ( -7.272 -10.372 1.729) 12.785 10.166 ( 6.711 0.380 -10.488) 12.457 10.166 ( 6.711 0.380 10.488) 12.457 10.501 ( -0.248 -23.618 -8.966) 25.264 10.501 ( -0.248 -23.618 8.966) 25.264 11.544 ( 1.188 7.694 -7.646) 10.912 11.544 ( 1.188 7.694 7.646) 10.912 12.497 ( 2.735 4.937 -17.465) 18.354 12.497 ( 2.735 4.937 17.465) 18.354 13.590 ( -10.192 -0.355 -2.759) 10.565 13.590 ( -10.192 -0.355 2.759) 10.565 ======================= Grid point 348 (104/120) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 6.581 5.707 -3.389) 9.347 2.026 ( 6.581 5.707 3.389) 9.347 2.258 ( 8.338 7.113 -3.037) 11.372 2.258 ( 8.338 7.113 3.037) 11.372 2.466 ( -4.871 4.032 -0.727) 6.365 2.466 ( -4.871 4.032 0.727) 6.365 2.677 ( -0.374 2.476 -1.291) 2.818 2.677 ( -0.374 2.476 1.291) 2.818 2.812 ( -7.114 0.939 -2.467) 7.588 2.812 ( -7.114 0.939 2.467) 7.588 3.088 ( -10.535 2.915 -1.911) 11.096 3.088 ( -10.535 2.915 1.911) 11.096 3.191 ( -0.018 -0.925 -2.603) 2.762 3.191 ( -0.018 -0.925 2.603) 2.762 3.432 ( 1.510 3.365 -3.164) 4.860 3.432 ( 1.510 3.365 3.164) 4.860 4.038 ( 6.254 11.600 -7.629) 15.228 4.038 ( 6.254 11.600 7.629) 15.228 4.135 ( 1.690 8.849 -2.654) 9.392 4.135 ( 1.690 8.849 2.654) 9.392 4.429 ( -0.688 7.013 -4.961) 8.618 4.429 ( -0.688 7.013 4.961) 8.618 4.691 ( -0.832 5.602 -2.029) 6.016 4.691 ( -0.832 5.602 2.029) 6.016 6.451 ( -0.863 0.873 -2.484) 2.771 6.451 ( -0.863 0.873 2.484) 2.771 7.037 ( 0.469 -0.786 -10.112) 10.153 7.037 ( 0.469 -0.786 10.112) 10.153 7.506 ( 11.358 10.425 -12.855) 20.073 7.506 ( 11.358 10.425 12.855) 20.073 7.780 ( 1.217 9.325 -10.803) 14.322 7.780 ( 1.217 9.325 10.803) 14.322 8.386 ( 7.959 -0.922 -3.134) 8.604 8.386 ( 7.959 -0.922 3.134) 8.604 8.679 ( -0.748 1.777 -5.490) 5.819 8.679 ( -0.748 1.777 5.490) 5.819 9.608 ( 3.465 -10.646 -3.960) 11.875 9.608 ( 3.465 -10.646 3.960) 11.875 10.055 ( -12.341 -8.798 -3.960) 15.665 10.055 ( -12.341 -8.798 3.960) 15.665 10.766 ( 19.532 -10.095 -6.346) 22.884 10.766 ( 19.532 -10.095 6.346) 22.884 11.487 ( -7.034 0.489 -4.177) 8.196 11.487 ( -7.034 0.489 4.177) 8.196 12.634 ( 10.679 6.495 -10.217) 16.143 12.634 ( 10.679 6.495 10.217) 16.143 13.334 ( -14.417 1.784 -2.628) 14.763 13.334 ( -14.417 1.784 2.628) 14.763 ======================= Grid point 350 (105/120) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 0.000 3.081 -0.000) 3.081 2.113 ( -0.000 3.081 0.000) 3.081 2.352 ( 0.000 6.240 0.000) 6.240 2.352 ( 0.000 6.240 0.000) 6.240 2.433 ( -0.000 4.442 -0.000) 4.442 2.433 ( 0.000 4.442 0.000) 4.442 2.650 ( -0.000 4.338 -0.000) 4.338 2.650 ( 0.000 4.338 0.000) 4.338 2.724 ( 0.000 -0.695 0.000) 0.695 2.724 ( 0.000 -0.695 0.000) 0.695 2.968 ( 0.000 2.342 0.000) 2.342 2.968 ( 0.000 2.342 0.000) 2.342 3.195 ( 0.000 -1.689 0.000) 1.689 3.195 ( 0.000 -1.689 0.000) 1.689 3.448 ( 0.000 2.931 -0.000) 2.931 3.448 ( 0.000 2.931 0.000) 2.931 4.115 ( 0.000 7.190 0.000) 7.190 4.115 ( 0.000 7.190 0.000) 7.190 4.148 ( -0.000 11.866 -0.000) 11.866 4.148 ( 0.000 11.866 -0.000) 11.866 4.415 ( -0.000 9.199 0.000) 9.199 4.415 ( -0.000 9.199 0.000) 9.199 4.682 ( 0.000 6.582 -0.000) 6.582 4.682 ( 0.000 6.582 0.000) 6.582 6.442 ( 0.000 0.942 0.000) 0.942 6.442 ( 0.000 0.942 0.000) 0.942 7.040 ( 0.000 -0.503 -0.000) 0.503 7.040 ( 0.000 -0.503 0.000) 0.503 7.660 ( 0.000 11.642 -0.000) 11.642 7.660 ( 0.000 11.642 0.000) 11.642 7.757 ( -0.000 7.969 -0.000) 7.969 7.757 ( -0.000 7.969 0.000) 7.969 8.494 ( 0.000 -6.258 -0.000) 6.258 8.494 ( 0.000 -6.258 0.000) 6.258 8.632 ( 0.000 5.966 0.000) 5.966 8.632 ( -0.000 5.966 0.000) 5.966 9.773 ( -0.000 -13.089 0.000) 13.089 9.773 ( 0.000 -13.089 0.000) 13.089 9.805 ( 0.000 -7.948 0.000) 7.948 9.805 ( 0.000 -7.948 0.000) 7.948 11.054 ( 0.000 0.953 -0.000) 0.953 11.054 ( 0.000 0.953 0.000) 0.953 11.338 ( 0.000 -8.852 0.000) 8.852 11.338 ( 0.000 -8.852 0.000) 8.852 12.831 ( -0.000 5.515 0.000) 5.515 12.831 ( 0.000 5.515 0.000) 5.515 13.102 ( 0.000 3.598 -0.000) 3.598 13.102 ( 0.000 3.598 0.000) 3.598 ======================= Grid point 360 (106/120) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 0.000 11.503 -1.280) 11.574 2.017 ( 0.000 11.503 1.280) 11.574 2.238 ( 0.000 15.955 -5.816) 16.982 2.238 ( 0.000 15.955 5.816) 16.982 2.714 ( 0.000 -4.211 -3.319) 5.362 2.714 ( 0.000 -4.211 3.319) 5.362 2.876 ( 0.000 4.224 -5.844) 7.211 2.876 ( 0.000 4.224 5.844) 7.211 2.990 ( 0.000 7.549 -2.447) 7.935 2.990 ( 0.000 7.549 2.447) 7.935 3.337 ( 0.000 -3.730 -0.611) 3.780 3.337 ( 0.000 -3.730 0.611) 3.780 3.418 ( 0.000 0.058 -0.937) 0.939 3.418 ( 0.000 0.058 0.937) 0.939 3.670 ( 0.000 5.081 -0.253) 5.088 3.670 ( 0.000 5.081 0.253) 5.088 4.106 ( 0.000 10.182 -3.078) 10.637 4.106 ( 0.000 10.182 3.078) 10.637 4.146 ( 0.000 -6.438 -2.530) 6.917 4.146 ( 0.000 -6.438 2.530) 6.917 4.191 ( 0.000 7.796 -3.878) 8.708 4.191 ( 0.000 7.796 3.878) 8.708 4.783 ( 0.000 5.116 -2.137) 5.544 4.783 ( 0.000 5.116 2.137) 5.544 6.490 ( 0.000 5.025 -7.350) 8.903 6.490 ( 0.000 5.025 7.350) 8.903 6.890 ( 0.000 -1.173 -40.323) 40.340 6.890 ( 0.000 -1.173 40.323) 40.340 7.159 ( 0.000 5.428 -0.878) 5.499 7.159 ( 0.000 5.428 0.878) 5.499 7.203 ( 0.000 4.654 -0.628) 4.696 7.203 ( 0.000 4.654 0.628) 4.696 8.312 ( 0.000 8.701 -3.180) 9.264 8.312 ( 0.000 8.701 3.180) 9.264 8.555 ( 0.000 -1.081 -3.259) 3.434 8.555 ( 0.000 -1.081 3.259) 3.434 9.472 ( 0.000 -23.170 -7.221) 24.269 9.472 ( 0.000 -23.170 7.221) 24.269 9.947 ( 0.000 0.645 -13.777) 13.792 9.947 ( 0.000 0.645 13.777) 13.792 10.433 ( 0.000 -7.049 -11.765) 13.715 10.433 ( 0.000 -7.049 11.765) 13.715 11.637 ( 0.000 7.061 -7.986) 10.660 11.637 ( 0.000 7.061 7.986) 10.660 12.514 ( 0.000 0.327 -18.139) 18.142 12.514 ( 0.000 0.327 18.139) 18.142 13.747 ( 0.000 -1.969 -2.071) 2.858 13.747 ( 0.000 -1.969 2.071) 2.858 ======================= Grid point 362 (107/120) ======================= q-point: ( 0.12 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 2.366 11.326 -2.476) 11.832 2.045 ( 2.366 11.326 2.476) 11.832 2.236 ( 0.219 13.472 -5.366) 14.503 2.236 ( 0.219 13.472 5.366) 14.503 2.718 ( -0.180 -2.565 -3.007) 3.956 2.718 ( -0.180 -2.565 3.007) 3.956 2.831 ( -4.202 4.648 -5.220) 8.155 2.831 ( -4.202 4.648 5.220) 8.155 2.948 ( -3.085 4.442 -2.070) 5.790 2.948 ( -3.085 4.442 2.070) 5.790 3.291 ( -4.633 -4.878 -6.024) 9.030 3.291 ( -4.633 -4.878 6.024) 9.030 3.417 ( 1.089 2.611 -7.243) 7.776 3.417 ( 1.089 2.611 7.243) 7.776 3.644 ( -6.710 3.087 -3.045) 7.989 3.644 ( -6.710 3.087 3.045) 7.989 3.959 ( -1.720 1.813 -3.879) 4.614 3.959 ( -1.720 1.813 3.879) 4.614 4.224 ( 3.415 9.695 -4.420) 11.189 4.224 ( 3.415 9.695 4.420) 11.189 4.348 ( 9.353 2.570 -2.853) 10.111 4.348 ( 9.353 2.570 2.853) 10.111 4.796 ( 1.089 5.709 -2.124) 6.187 4.796 ( 1.089 5.709 2.124) 6.187 6.506 ( 0.912 4.345 -5.398) 6.989 6.506 ( 0.912 4.345 5.398) 6.989 6.924 ( 2.050 -2.493 -32.638) 32.797 6.924 ( 2.050 -2.493 32.638) 32.797 7.254 ( 8.239 8.382 -3.614) 12.296 7.254 ( 8.239 8.382 3.614) 12.296 7.374 ( 17.257 3.842 -1.131) 17.715 7.374 ( 17.257 3.842 1.131) 17.715 8.309 ( -0.259 8.015 -3.408) 8.713 8.309 ( -0.259 8.015 3.408) 8.713 8.575 ( 2.148 -0.435 -4.823) 5.298 8.575 ( 2.148 -0.435 4.823) 5.298 9.459 ( -1.823 -22.300 -6.908) 23.417 9.459 ( -1.823 -22.300 6.908) 23.417 9.974 ( 3.857 0.243 -12.433) 13.020 9.974 ( 3.857 0.243 12.433) 13.020 10.343 ( -8.278 -8.292 -12.011) 16.779 10.343 ( -8.278 -8.292 12.011) 16.779 11.655 ( 1.118 5.819 -7.828) 9.818 11.655 ( 1.118 5.819 7.828) 9.818 12.525 ( 1.361 1.534 -16.826) 16.950 12.525 ( 1.361 1.534 16.826) 16.950 13.708 ( -3.940 -1.572 -1.958) 4.672 13.708 ( -3.940 -1.572 1.958) 4.672 ======================= Grid point 364 (108/120) ======================= q-point: ( 0.25 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 2.218 10.094 -2.389) 10.607 2.094 ( 2.218 10.094 2.389) 10.607 2.271 ( 3.622 8.311 -2.468) 9.396 2.271 ( 3.622 8.311 2.468) 9.396 2.656 ( -6.004 3.456 -1.646) 7.120 2.656 ( -6.004 3.456 1.646) 7.120 2.765 ( -1.470 1.585 -3.014) 3.709 2.765 ( -1.470 1.585 3.014) 3.709 2.885 ( -3.271 -0.053 -1.439) 3.574 2.885 ( -3.271 -0.053 1.439) 3.574 3.191 ( -4.493 -3.771 -6.331) 8.631 3.191 ( -4.493 -3.771 6.331) 8.631 3.397 ( -13.104 0.979 -3.657) 13.640 3.397 ( -13.104 0.979 3.657) 13.640 3.449 ( 0.122 1.355 -7.700) 7.820 3.449 ( 0.122 1.355 7.700) 7.820 4.036 ( 6.447 3.849 -4.365) 8.685 4.036 ( 6.447 3.849 4.365) 8.685 4.294 ( 2.868 8.725 -3.648) 9.882 4.294 ( 2.868 8.725 3.648) 9.882 4.509 ( 6.460 6.786 -3.401) 9.967 4.509 ( 6.460 6.786 3.401) 9.967 4.818 ( 0.894 7.011 -1.625) 7.252 4.818 ( 0.894 7.011 1.625) 7.252 6.510 ( -0.530 3.570 -1.811) 4.038 6.510 ( -0.530 3.570 1.811) 4.038 6.959 ( 1.417 -4.079 -20.667) 21.113 6.959 ( 1.417 -4.079 20.667) 21.113 7.467 ( 12.087 9.656 -7.503) 17.194 7.467 ( 12.087 9.656 7.503) 17.194 7.777 ( 17.549 6.997 -4.279) 19.371 7.777 ( 17.549 6.997 4.279) 19.371 8.310 ( 0.627 3.840 -2.416) 4.580 8.310 ( 0.627 3.840 2.416) 4.580 8.658 ( 6.129 2.707 -8.020) 10.450 8.658 ( 6.129 2.707 8.020) 10.450 9.388 ( -4.178 -17.092 -4.425) 18.143 9.388 ( -4.178 -17.092 4.425) 18.143 10.089 ( -6.607 -12.477 -11.301) 18.085 10.089 ( -6.607 -12.477 11.301) 18.085 10.203 ( 10.094 -2.215 -9.248) 13.868 10.203 ( 10.094 -2.215 9.248) 13.868 11.640 ( -3.636 2.484 -5.686) 7.192 11.640 ( -3.636 2.484 5.686) 7.192 12.588 ( 5.338 4.081 -12.250) 13.972 12.588 ( 5.338 4.081 12.250) 13.972 13.581 ( -8.612 -0.546 -1.763) 8.808 13.581 ( -8.612 -0.546 1.763) 8.808 ======================= Grid point 366 (109/120) ======================= q-point: ( 0.38 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 2.580 6.115 -1.391) 6.781 2.142 ( 2.580 6.115 1.391) 6.781 2.374 ( 5.581 4.453 -0.354) 7.148 2.374 ( 5.581 4.453 0.354) 7.148 2.538 ( -4.504 3.396 -0.356) 5.652 2.538 ( -4.504 3.396 0.356) 5.652 2.738 ( -1.292 3.547 -1.023) 3.911 2.738 ( -1.292 3.547 1.023) 3.911 2.807 ( -4.437 -0.979 -1.192) 4.697 2.807 ( -4.437 -0.979 1.192) 4.697 3.084 ( -7.786 -2.887 -3.539) 9.027 3.084 ( -7.786 -2.887 3.539) 9.027 3.178 ( -4.587 0.306 -2.085) 5.048 3.178 ( -4.587 0.306 2.085) 5.048 3.459 ( 0.202 -0.867 -5.760) 5.829 3.459 ( 0.202 -0.867 5.760) 5.829 4.167 ( 5.880 4.972 -2.849) 8.211 4.167 ( 5.880 4.972 2.849) 8.211 4.324 ( -0.023 7.003 -2.203) 7.342 4.324 ( -0.023 7.003 2.203) 7.342 4.611 ( 3.559 10.947 -2.405) 11.759 4.611 ( 3.559 10.947 2.405) 11.759 4.829 ( 0.227 7.775 -0.675) 7.807 4.829 ( 0.227 7.775 0.675) 7.807 6.495 ( -0.690 3.537 -1.019) 3.745 6.495 ( -0.690 3.537 1.019) 3.745 6.978 ( 0.478 -4.832 -10.782) 11.825 6.978 ( 0.478 -4.832 10.782) 11.825 7.716 ( 11.634 10.001 -11.674) 19.278 7.716 ( 11.634 10.001 11.674) 19.278 7.976 ( 2.159 11.196 -11.117) 15.925 7.976 ( 2.159 11.196 11.117) 15.925 8.344 ( 2.640 -2.869 -2.869) 4.840 8.344 ( 2.640 -2.869 2.869) 4.840 8.764 ( 1.942 6.043 -7.236) 9.625 8.764 ( 1.942 6.043 7.236) 9.625 9.371 ( 4.303 -13.324 -6.729) 15.535 9.371 ( 4.303 -13.324 6.729) 15.535 9.842 ( -13.012 -12.054 -10.053) 20.389 9.842 ( -13.012 -12.054 10.053) 20.389 10.618 ( 24.701 -5.186 -6.895) 26.164 10.618 ( 24.701 -5.186 6.895) 26.164 11.477 ( -12.654 -1.257 -2.739) 13.008 11.477 ( -12.654 -1.257 2.739) 13.008 12.753 ( 10.665 5.265 -6.572) 13.589 12.753 ( 10.665 5.265 6.572) 13.589 13.360 ( -12.636 0.806 -1.950) 12.811 13.360 ( -12.636 0.806 1.950) 12.811 ======================= Grid point 368 (110/120) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 0.000 3.673 -0.000) 3.673 2.177 ( 0.000 3.673 0.000) 3.673 2.431 ( 0.000 1.260 0.000) 1.260 2.431 ( 0.000 1.260 0.000) 1.260 2.511 ( 0.000 3.753 -0.000) 3.753 2.511 ( 0.000 3.753 0.000) 3.753 2.718 ( 0.000 3.437 -0.000) 3.437 2.718 ( -0.000 3.437 0.000) 3.437 2.742 ( 0.000 1.866 -0.000) 1.866 2.742 ( 0.000 1.866 0.000) 1.866 2.984 ( 0.000 -0.522 0.000) 0.522 2.984 ( 0.000 -0.522 0.000) 0.522 3.147 ( 0.000 -2.176 -0.000) 2.176 3.147 ( 0.000 -2.176 0.000) 2.176 3.460 ( 0.000 -1.828 -0.000) 1.828 3.460 ( 0.000 -1.828 0.000) 1.828 4.245 ( 0.000 6.134 -0.000) 6.134 4.245 ( 0.000 6.134 0.000) 6.134 4.308 ( -0.000 5.385 -0.000) 5.385 4.308 ( -0.000 5.385 0.000) 5.385 4.649 ( 0.000 12.947 -0.000) 12.947 4.649 ( 0.000 12.947 0.000) 12.947 4.831 ( 0.000 7.729 -0.000) 7.729 4.831 ( 0.000 7.729 0.000) 7.729 6.487 ( 0.000 3.714 0.000) 3.714 6.487 ( 0.000 3.714 0.000) 3.714 6.982 ( 0.000 -5.062 -0.000) 5.062 6.982 ( 0.000 -5.062 0.000) 5.062 7.900 ( 0.000 6.747 -0.000) 6.747 7.900 ( -0.000 6.747 0.000) 6.747 7.928 ( -0.000 15.083 -0.000) 15.083 7.928 ( 0.000 15.083 0.000) 15.083 8.383 ( -0.000 -4.906 -0.000) 4.906 8.383 ( 0.000 -4.906 0.000) 4.906 8.760 ( 0.000 6.458 -0.000) 6.458 8.760 ( 0.000 6.458 0.000) 6.458 9.502 ( -0.000 -14.158 0.000) 14.158 9.502 ( 0.000 -14.158 0.000) 14.158 9.635 ( 0.000 -9.113 -0.000) 9.113 9.635 ( 0.000 -9.113 0.000) 9.113 11.055 ( -0.000 -0.736 -0.000) 0.736 11.055 ( 0.000 -0.736 0.000) 0.736 11.177 ( -0.000 -7.131 0.000) 7.131 11.177 ( 0.000 -7.131 0.000) 7.131 12.942 ( -0.000 5.433 0.000) 5.433 12.942 ( 0.000 5.433 0.000) 5.433 13.151 ( 0.000 1.274 -0.000) 1.274 13.151 ( 0.000 1.274 0.000) 1.274 ======================= Grid point 378 (111/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 0.000 10.569 -0.932) 10.610 2.233 ( 0.000 10.569 0.932) 10.610 2.523 ( 0.000 12.481 -5.436) 13.614 2.523 ( 0.000 12.481 5.436) 13.614 2.596 ( 0.000 -7.216 -3.572) 8.052 2.596 ( 0.000 -7.216 3.572) 8.052 2.944 ( 0.000 2.261 -5.686) 6.119 2.944 ( 0.000 2.261 5.686) 6.119 3.131 ( 0.000 5.399 -1.843) 5.705 3.131 ( 0.000 5.399 1.843) 5.705 3.211 ( 0.000 -6.433 -6.963) 9.479 3.211 ( 0.000 -6.433 6.963) 9.479 3.442 ( 0.000 1.767 -3.031) 3.509 3.442 ( 0.000 1.767 3.031) 3.509 3.727 ( 0.000 0.279 -1.447) 1.473 3.727 ( 0.000 0.279 1.447) 1.473 3.980 ( 0.000 -6.672 -1.384) 6.815 3.980 ( 0.000 -6.672 1.384) 6.815 4.265 ( 0.000 5.257 -7.366) 9.050 4.265 ( 0.000 5.257 7.367) 9.050 4.326 ( 0.000 4.363 -7.779) 8.919 4.326 ( 0.000 4.363 7.779) 8.919 4.898 ( 0.000 5.446 -0.332) 5.456 4.898 ( 0.000 5.446 0.332) 5.456 6.609 ( 0.000 6.655 -16.833) 18.100 6.609 ( 0.000 6.655 16.833) 18.100 6.852 ( 0.000 -2.746 -36.699) 36.802 6.852 ( 0.000 -2.746 36.699) 36.802 7.218 ( 0.000 1.590 -0.193) 1.602 7.218 ( 0.000 1.590 0.193) 1.602 7.302 ( 0.000 4.275 -0.446) 4.298 7.302 ( 0.000 4.275 0.446) 4.298 8.428 ( 0.000 2.185 -0.362) 2.215 8.428 ( 0.000 2.185 0.362) 2.215 8.560 ( 0.000 2.281 -4.442) 4.993 8.560 ( 0.000 2.281 4.442) 4.993 9.049 ( 0.000 -17.535 -4.682) 18.149 9.049 ( 0.000 -17.535 4.682) 18.149 9.990 ( 0.000 3.104 -9.130) 9.643 9.990 ( 0.000 3.104 9.130) 9.643 10.330 ( 0.000 -4.292 -8.006) 9.084 10.330 ( 0.000 -4.292 8.006) 9.084 11.724 ( 0.000 2.353 -4.627) 5.191 11.724 ( 0.000 2.353 4.627) 5.191 12.518 ( 0.000 0.172 -9.870) 9.871 12.518 ( 0.000 0.172 9.870) 9.871 13.718 ( 0.000 -1.003 -0.934) 1.371 13.718 ( 0.000 -1.003 0.934) 1.371 ======================= Grid point 380 (112/120) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 1.771 10.069 -2.349) 10.490 2.254 ( 1.771 10.069 2.349) 10.490 2.469 ( -4.008 8.706 -4.339) 10.521 2.469 ( -4.008 8.706 4.339) 10.521 2.626 ( 1.959 -4.963 -3.594) 6.433 2.626 ( 1.959 -4.963 3.594) 6.433 2.912 ( -3.382 2.850 -4.787) 6.517 2.912 ( -3.382 2.850 4.787) 6.517 3.050 ( -6.770 4.947 -2.903) 8.874 3.050 ( -6.770 4.947 2.903) 8.874 3.175 ( -2.948 -5.902 -5.360) 8.500 3.175 ( -2.948 -5.902 5.360) 8.500 3.450 ( 0.257 1.099 -5.500) 5.615 3.450 ( 0.257 1.099 5.500) 5.615 3.647 ( -9.848 -2.392 -2.528) 10.445 3.647 ( -9.848 -2.392 2.528) 10.445 3.962 ( 3.471 -0.224 -2.175) 4.102 3.962 ( 3.471 -0.224 2.175) 4.102 4.328 ( 3.546 2.683 -1.828) 4.807 4.328 ( 3.546 2.683 1.828) 4.807 4.443 ( 9.751 4.608 -1.801) 10.934 4.443 ( 9.751 4.608 1.801) 10.934 4.918 ( 1.703 5.610 -0.790) 5.916 4.918 ( 1.703 5.610 0.790) 5.916 6.615 ( 0.051 6.394 -13.309) 14.765 6.615 ( 0.051 6.394 13.309) 14.765 6.857 ( 0.019 -4.348 -29.147) 29.470 6.857 ( 0.019 -4.348 29.147) 29.470 7.367 ( 11.241 3.055 -1.155) 11.706 7.367 ( 11.241 3.055 1.155) 11.706 7.465 ( 18.005 5.115 -1.768) 18.801 7.465 ( 18.005 5.115 1.768) 18.801 8.404 ( -2.282 1.181 -1.377) 2.915 8.404 ( -2.282 1.181 1.377) 2.915 8.598 ( 4.036 3.155 -6.006) 7.894 8.598 ( 4.036 3.155 6.006) 7.894 9.055 ( 0.465 -16.773 -4.048) 17.261 9.055 ( 0.465 -16.773 4.048) 17.261 10.004 ( 1.293 2.891 -9.285) 9.810 10.004 ( 1.293 2.891 9.285) 9.810 10.220 ( -9.285 -5.365 -8.949) 13.967 10.220 ( -9.285 -5.365 8.949) 13.967 11.723 ( -0.707 1.678 -4.274) 4.645 11.723 ( -0.707 1.678 4.274) 4.645 12.549 ( 3.077 0.863 -8.860) 9.419 12.549 ( 3.077 0.863 8.860) 9.419 13.684 ( -3.466 -0.865 -0.893) 3.683 13.684 ( -3.466 -0.865 0.893) 3.683 ======================= Grid point 382 (113/120) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -0.324 8.356 -1.917) 8.579 2.278 ( -0.324 8.356 1.917) 8.579 2.409 ( -0.551 5.353 -0.791) 5.439 2.409 ( -0.551 5.353 0.791) 5.439 2.656 ( 0.341 -3.120 -2.457) 3.986 2.656 ( 0.341 -3.120 2.457) 3.986 2.800 ( -6.493 2.610 -2.190) 7.333 2.800 ( -6.493 2.610 2.190) 7.333 2.921 ( -5.033 2.691 -1.246) 5.842 2.921 ( -5.033 2.691 1.246) 5.842 3.107 ( -3.765 -4.202 -5.127) 7.623 3.107 ( -3.765 -4.202 5.127) 7.623 3.396 ( -11.770 -0.526 -2.693) 12.086 3.396 ( -11.770 -0.526 2.693) 12.086 3.442 ( -1.919 -1.569 -6.803) 7.241 3.442 ( -1.919 -1.569 6.803) 7.241 4.096 ( 7.923 2.294 -1.865) 8.457 4.096 ( 7.923 2.294 1.865) 8.457 4.393 ( 2.461 2.659 -1.208) 3.819 4.393 ( 2.461 2.659 1.208) 3.819 4.641 ( 8.944 5.214 -0.391) 10.360 4.641 ( 8.944 5.214 0.391) 10.360 4.953 ( 1.402 5.872 -0.924) 6.107 4.953 ( 1.402 5.872 0.924) 6.107 6.603 ( -1.032 5.791 -6.804) 8.994 6.603 ( -1.032 5.791 6.804) 8.994 6.860 ( 0.328 -5.936 -17.760) 18.729 6.860 ( 0.328 -5.936 17.760) 18.729 7.612 ( 12.902 4.922 -3.440) 14.231 7.612 ( 12.902 4.922 3.440) 14.231 7.926 ( 21.657 7.860 -3.701) 23.335 7.926 ( 21.657 7.860 3.701) 23.335 8.344 ( -3.301 -0.365 -3.253) 4.649 8.344 ( -3.301 -0.365 3.253) 4.649 8.736 ( 9.275 4.699 -9.082) 13.806 8.736 ( 9.275 4.699 9.082) 13.806 9.060 ( 0.189 -14.741 -3.742) 15.210 9.060 ( 0.189 -14.741 3.742) 15.210 9.896 ( -13.256 -6.498 -6.280) 16.043 9.896 ( -13.256 -6.498 6.280) 16.043 10.190 ( 10.301 -0.374 -4.122) 11.101 10.190 ( 10.301 -0.374 4.122) 11.101 11.661 ( -6.167 0.142 -2.768) 6.762 11.661 ( -6.167 0.142 2.768) 6.762 12.649 ( 6.898 2.115 -6.025) 9.400 12.649 ( 6.898 2.115 6.025) 9.400 13.570 ( -7.811 -0.486 -0.880) 7.876 13.570 ( -7.811 -0.486 0.880) 7.876 ======================= Grid point 384 (114/120) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.654 5.167 -0.478) 5.230 2.256 ( -0.654 5.167 0.478) 5.230 2.428 ( 0.351 1.245 -1.565) 2.030 2.428 ( 0.351 1.245 1.565) 2.030 2.602 ( -3.320 3.196 -1.377) 4.809 2.602 ( -3.320 3.196 1.377) 4.809 2.743 ( 0.036 -3.066 -1.154) 3.277 2.743 ( 0.036 -3.066 1.154) 3.277 2.839 ( -3.151 3.875 -0.993) 5.092 2.839 ( -3.151 3.875 0.993) 5.092 3.016 ( -4.974 -3.542 -3.717) 7.148 3.016 ( -4.974 -3.542 3.717) 7.148 3.205 ( -5.771 2.648 -2.561) 6.846 3.205 ( -5.771 2.648 2.561) 6.846 3.404 ( -1.752 -4.283 -5.765) 7.392 3.404 ( -1.752 -4.283 5.765) 7.392 4.250 ( 6.748 3.183 -1.355) 7.584 4.250 ( 6.748 3.183 1.355) 7.584 4.414 ( -0.560 2.821 -0.769) 2.977 4.414 ( -0.560 2.821 0.769) 2.977 4.795 ( 6.020 6.809 -0.252) 9.092 4.795 ( 6.020 6.809 0.252) 9.092 4.965 ( -0.332 5.510 -0.645) 5.558 4.965 ( -0.332 5.510 0.645) 5.558 6.586 ( -0.425 5.663 -2.368) 6.153 6.586 ( -0.425 5.663 2.368) 6.153 6.863 ( -0.140 -6.677 -8.633) 10.915 6.863 ( -0.141 -6.677 8.633) 10.915 7.869 ( 11.578 5.538 -6.586) 14.425 7.869 ( 11.578 5.538 6.586) 14.425 8.201 ( 2.903 9.194 -10.590) 14.322 8.201 ( 2.903 9.194 10.590) 14.322 8.304 ( 2.308 1.075 -8.060) 8.452 8.304 ( 2.308 1.075 8.060) 8.452 8.861 ( -0.231 1.417 -9.183) 9.294 8.861 ( -0.231 1.417 9.183) 9.294 9.132 ( 8.496 -8.557 -8.383) 14.686 9.132 ( 8.496 -8.557 8.383) 14.686 9.624 ( -12.067 -9.404 -8.029) 17.277 9.624 ( -12.067 -9.404 8.029) 17.277 10.551 ( 23.547 -2.021 -4.247) 24.013 10.551 ( 23.547 -2.021 4.247) 24.013 11.449 ( -14.943 -1.320 -1.302) 15.058 11.449 ( -14.943 -1.320 1.302) 15.058 12.831 ( 10.845 2.675 -3.205) 11.621 12.831 ( 10.845 2.675 3.205) 11.621 13.367 ( -11.858 -0.005 -1.110) 11.910 13.367 ( -11.858 -0.005 1.110) 11.910 ======================= Grid point 386 (115/120) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 4.351 -0.000) 4.351 2.256 ( 0.000 4.351 0.000) 4.351 2.410 ( 0.000 -2.735 0.000) 2.735 2.410 ( 0.000 -2.735 0.000) 2.735 2.586 ( 0.000 4.078 -0.000) 4.078 2.586 ( 0.000 4.078 0.000) 4.078 2.741 ( 0.000 -2.057 0.000) 2.057 2.741 ( 0.000 -2.057 0.000) 2.057 2.805 ( 0.000 4.618 0.000) 4.618 2.805 ( 0.000 4.618 0.000) 4.618 2.953 ( -0.000 -2.538 -0.000) 2.538 2.953 ( 0.000 -2.538 0.000) 2.538 3.153 ( -0.000 3.288 -0.000) 3.288 3.153 ( 0.000 3.288 0.000) 3.288 3.384 ( 0.000 -5.616 -0.000) 5.616 3.384 ( 0.000 -5.616 0.000) 5.616 4.347 ( 0.000 4.080 -0.000) 4.080 4.347 ( 0.000 4.080 0.000) 4.080 4.381 ( -0.000 2.290 0.000) 2.290 4.381 ( 0.000 2.290 0.000) 2.290 4.867 ( 0.000 8.687 -0.000) 8.687 4.867 ( -0.000 8.687 0.000) 8.687 4.952 ( 0.000 4.088 -0.000) 4.088 4.952 ( 0.000 4.088 0.000) 4.088 6.583 ( 0.000 6.015 0.000) 6.015 6.583 ( 0.000 6.015 0.000) 6.015 6.859 ( 0.000 -7.166 -0.000) 7.166 6.859 ( 0.000 -7.166 0.000) 7.166 8.022 ( -0.000 5.785 -0.000) 5.785 8.022 ( -0.000 5.785 0.000) 5.785 8.168 ( 0.000 4.143 -0.000) 4.143 8.168 ( 0.000 4.143 0.000) 4.143 8.365 ( 0.000 8.025 -0.000) 8.025 8.365 ( 0.000 8.025 0.000) 8.025 8.827 ( -0.000 -2.242 0.000) 2.242 8.827 ( 0.000 -2.242 0.000) 2.242 9.277 ( -0.000 -6.152 0.000) 6.152 9.277 ( 0.000 -6.152 0.000) 6.152 9.458 ( 0.000 -8.840 -0.000) 8.840 9.458 ( 0.000 -8.840 0.000) 8.840 11.035 ( -0.000 -0.957 0.000) 0.957 11.035 ( 0.000 -0.957 0.000) 0.957 11.071 ( -0.000 -3.724 -0.000) 3.724 11.071 ( 0.000 -3.724 0.000) 3.724 13.036 ( -0.000 4.227 0.000) 4.227 13.036 ( 0.000 4.227 0.000) 4.227 13.150 ( -0.000 -1.285 -0.000) 1.285 13.150 ( 0.000 -1.285 0.000) 1.285 ======================= Grid point 396 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.000 -0.000 -0.000) 0.000 2.414 ( 0.000 -0.000 0.000) 0.000 2.443 ( 0.000 0.000 -0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 -0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 -0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 -0.000) 0.000 3.204 ( 0.000 0.000 -0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 -0.000) 0.000 3.708 ( 0.000 -0.000 -0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 -0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 -0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 -0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 -0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.346 ( 0.000 0.000 0.000) 0.000 7.346 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.607 ( 0.000 -0.000 0.000) 0.000 8.607 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 -0.000) 0.000 11.744 ( 0.000 0.000 -0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 12.520 ( 0.000 0.000 0.000) 0.000 13.708 ( 0.000 0.000 0.000) 0.000 13.708 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 400 (117/120) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 1.237 -0.000 -0.000) 1.237 2.428 ( 1.237 -0.000 0.000) 1.237 2.441 ( -0.812 0.000 -0.000) 0.812 2.441 ( -0.812 0.000 0.000) 0.812 2.630 ( -3.120 0.000 0.000) 3.120 2.630 ( -3.120 0.000 0.000) 3.120 2.933 ( -2.373 -0.000 0.000) 2.373 2.933 ( -2.373 0.000 0.000) 2.373 3.102 ( -1.446 0.000 -0.000) 1.446 3.102 ( -1.446 0.000 0.000) 1.446 3.111 ( -8.097 -0.000 -0.000) 8.097 3.111 ( -8.097 0.000 0.000) 8.097 3.465 ( -1.072 0.000 -0.000) 1.072 3.465 ( -1.072 0.000 0.000) 1.072 3.606 ( -9.658 -0.000 -0.000) 9.658 3.606 ( -9.658 0.000 0.000) 9.658 3.961 ( 5.808 0.000 -0.000) 5.808 3.961 ( 5.808 0.000 0.000) 5.808 4.354 ( 3.166 0.000 0.000) 3.166 4.354 ( 3.166 0.000 0.000) 3.166 4.489 ( 9.639 0.000 -0.000) 9.639 4.489 ( 9.639 0.000 0.000) 9.639 4.978 ( 1.830 0.000 -0.000) 1.830 4.978 ( 1.830 0.000 0.000) 1.830 6.719 ( 1.610 -0.000 0.000) 1.610 6.719 ( 1.610 0.000 0.000) 1.610 6.775 ( -3.005 0.000 -0.000) 3.005 6.775 ( -3.005 0.000 0.000) 3.005 7.394 ( 12.620 0.000 -0.000) 12.620 7.394 ( 12.620 0.000 0.000) 12.620 7.524 ( 18.905 0.000 0.000) 18.905 7.524 ( 18.906 0.000 0.000) 18.906 8.398 ( -2.964 0.000 0.000) 2.964 8.398 ( -2.964 0.000 0.000) 2.964 8.653 ( 4.750 0.000 -0.000) 4.750 8.653 ( 4.750 0.000 0.000) 4.750 8.873 ( 0.867 0.000 0.000) 0.867 8.873 ( 0.867 0.000 0.000) 0.867 10.058 ( 2.968 -0.000 -0.000) 2.968 10.058 ( 2.968 -0.000 0.000) 2.968 10.144 ( -12.306 0.000 -0.000) 12.306 10.144 ( -12.306 0.000 0.000) 12.306 11.737 ( -1.310 0.000 -0.000) 1.310 11.737 ( -1.310 0.000 0.000) 1.310 12.557 ( 3.662 0.000 0.000) 3.662 12.557 ( 3.662 0.000 0.000) 3.662 13.675 ( -3.349 0.000 -0.000) 3.349 13.675 ( -3.349 0.000 0.000) 3.349 ======================= Grid point 404 (118/120) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -4.364 -0.000 -0.000) 4.364 2.383 ( -4.364 0.000 0.000) 4.364 2.455 ( 0.981 0.000 -0.000) 0.981 2.455 ( 0.981 0.000 0.000) 0.981 2.611 ( 1.429 0.000 -0.000) 1.429 2.611 ( 1.429 0.000 0.000) 1.429 2.830 ( -8.301 -0.000 0.000) 8.301 2.830 ( -8.301 0.000 0.000) 8.301 2.955 ( -5.143 -0.000 0.000) 5.143 2.955 ( -5.143 0.000 0.000) 5.143 3.058 ( -3.120 -0.000 0.000) 3.120 3.058 ( -3.120 0.000 0.000) 3.120 3.391 ( -9.715 0.000 -0.000) 9.715 3.391 ( -9.715 -0.000 0.000) 9.715 3.418 ( -3.531 0.000 -0.000) 3.531 3.418 ( -3.531 0.000 0.000) 3.531 4.119 ( 8.568 0.000 -0.000) 8.568 4.119 ( 8.568 0.000 0.000) 8.568 4.418 ( 2.553 0.000 0.000) 2.553 4.418 ( 2.553 0.000 0.000) 2.553 4.692 ( 9.526 0.000 -0.000) 9.526 4.692 ( 9.526 0.000 0.000) 9.526 5.015 ( 1.423 0.000 -0.000) 1.423 5.015 ( 1.423 0.000 0.000) 1.423 6.709 ( -2.671 -0.000 0.000) 2.671 6.709 ( -2.671 0.000 0.000) 2.671 6.752 ( 1.174 -0.000 -0.000) 1.174 6.752 ( 1.174 0.000 -0.000) 1.174 7.659 ( 13.482 0.000 0.000) 13.482 7.659 ( 13.482 0.000 0.000) 13.482 8.025 ( 24.726 0.000 -0.000) 24.726 8.025 ( 24.726 0.000 0.000) 24.726 8.324 ( -4.046 -0.000 -0.000) 4.046 8.324 ( -4.046 0.000 0.000) 4.046 8.815 ( 11.571 0.000 -0.000) 11.571 8.815 ( 11.571 0.000 0.000) 11.571 8.877 ( -0.967 0.000 0.000) 0.967 8.877 ( -0.967 -0.000 0.000) 0.967 9.833 ( -16.735 0.000 -0.000) 16.735 9.833 ( -16.735 0.000 0.000) 16.735 10.186 ( 10.784 0.000 0.000) 10.784 10.186 ( 10.784 0.000 0.000) 10.784 11.660 ( -6.904 0.000 -0.000) 6.904 11.660 ( -6.904 0.000 0.000) 6.904 12.669 ( 7.367 0.000 -0.000) 7.367 12.669 ( 7.367 0.000 0.000) 7.367 13.565 ( -7.604 0.000 -0.000) 7.604 13.565 ( -7.604 0.000 0.000) 7.604 ======================= Grid point 408 (119/120) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.393 -0.000 0.000) 1.393 2.315 ( -1.393 -0.000 0.000) 1.393 2.435 ( -3.721 0.000 0.000) 3.721 2.435 ( -3.721 0.000 0.000) 3.721 2.655 ( 1.999 -0.000 -0.000) 1.999 2.655 ( 1.999 0.000 -0.000) 1.999 2.685 ( -3.591 -0.000 0.000) 3.591 2.685 ( -3.591 0.000 0.000) 3.591 2.891 ( -1.666 -0.000 0.000) 1.666 2.891 ( -1.666 0.000 0.000) 1.666 2.968 ( -5.192 -0.000 -0.000) 5.192 2.968 ( -5.192 0.000 0.000) 5.192 3.259 ( -2.906 0.000 -0.000) 2.906 3.259 ( -2.906 0.000 0.000) 2.906 3.333 ( -4.424 0.000 -0.000) 4.424 3.333 ( -4.424 0.000 0.000) 4.424 4.282 ( 7.042 0.000 -0.000) 7.042 4.282 ( 7.042 0.000 0.000) 7.042 4.441 ( -0.466 0.000 0.000) 0.466 4.441 ( -0.466 0.000 0.000) 0.466 4.862 ( 6.999 0.000 -0.000) 6.999 4.862 ( 6.999 0.000 0.000) 6.999 5.022 ( -0.909 0.000 -0.000) 0.909 5.022 ( -0.909 0.000 0.000) 0.909 6.685 ( 0.346 -0.000 0.000) 0.346 6.685 ( 0.346 0.000 0.000) 0.346 6.754 ( -1.103 -0.000 -0.000) 1.103 6.754 ( -1.103 0.000 -0.000) 1.103 7.925 ( 12.046 0.000 -0.000) 12.046 7.925 ( 12.046 0.000 0.000) 12.046 8.239 ( -4.470 0.000 -0.000) 4.470 8.239 ( -4.470 0.000 0.000) 4.470 8.406 ( 13.284 0.000 -0.000) 13.284 8.406 ( 13.284 -0.000 0.000) 13.284 8.809 ( -6.136 0.000 0.000) 6.136 8.809 ( -6.136 0.000 0.000) 6.136 9.087 ( 12.852 0.000 -0.000) 12.852 9.087 ( 12.852 0.000 0.000) 12.852 9.520 ( -13.063 0.000 -0.000) 13.063 9.520 ( -13.063 0.000 0.000) 13.063 10.532 ( 22.774 0.000 0.000) 22.774 10.532 ( 22.774 0.000 0.000) 22.774 11.435 ( -15.547 0.000 0.000) 15.547 11.435 ( -15.547 0.000 0.000) 15.547 12.857 ( 10.988 0.000 -0.000) 10.988 12.857 ( 10.988 0.000 0.000) 10.988 13.366 ( -11.728 0.000 -0.000) 11.728 13.366 ( -11.728 0.000 0.000) 11.728 ======================= Grid point 412 (120/120) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -1.596 -3.743 0.000) 4.069 2.341 ( -1.596 -3.743 0.000) 4.069 2.341 ( 1.596 3.743 0.000) 4.069 2.341 ( 1.596 3.743 0.000) 4.069 2.671 ( -0.015 -4.422 0.000) 4.422 2.671 ( -0.014 -4.422 0.000) 4.422 2.671 ( 0.015 4.422 -0.000) 4.422 2.671 ( 0.015 4.422 0.000) 4.422 2.889 ( -0.416 -3.805 0.000) 3.828 2.889 ( -0.416 -3.805 0.000) 3.828 2.889 ( 0.416 3.805 0.000) 3.828 2.889 ( 0.416 3.805 -0.000) 3.828 3.259 ( -0.402 -6.587 -0.000) 6.600 3.259 ( -0.402 -6.587 0.000) 6.600 3.259 ( 0.402 6.587 -0.000) 6.600 3.259 ( 0.402 6.587 0.000) 6.600 4.396 ( -3.662 -0.352 -0.000) 3.679 4.396 ( -3.662 -0.352 0.000) 3.679 4.396 ( 3.662 0.352 -0.000) 3.679 4.396 ( 3.662 0.352 0.000) 3.679 4.973 ( -2.688 -1.549 0.000) 3.103 4.973 ( -2.688 -1.549 0.000) 3.103 4.973 ( 2.688 1.550 -0.000) 3.103 4.973 ( 2.688 1.550 0.000) 3.103 6.715 ( -0.335 -7.245 0.000) 7.253 6.715 ( -0.335 -7.245 0.000) 7.253 6.715 ( 0.335 7.245 -0.000) 7.253 6.715 ( 0.335 7.245 0.000) 7.253 8.125 ( -4.533 -3.699 -0.000) 5.850 8.125 ( -4.533 -3.699 0.000) 5.850 8.125 ( 4.533 3.699 -0.000) 5.850 8.125 ( 4.533 3.699 0.000) 5.850 8.635 ( -3.323 -14.010 -0.000) 14.399 8.635 ( -3.323 -14.010 0.000) 14.399 8.635 ( 3.323 14.010 -0.000) 14.399 8.635 ( 3.324 14.010 0.000) 14.399 9.303 ( -5.420 -5.223 0.000) 7.527 9.303 ( -5.420 -5.223 0.000) 7.527 9.303 ( 5.420 5.223 -0.000) 7.527 9.303 ( 5.420 5.223 0.000) 7.527 11.030 ( -23.684 -0.040 -0.000) 23.684 11.030 ( -23.684 -0.040 0.000) 23.684 11.030 ( 23.684 0.040 -0.000) 23.684 11.030 ( 23.684 0.040 0.000) 23.684 13.107 ( -11.913 -1.258 0.000) 11.979 13.107 ( -11.913 -1.258 0.000) 11.979 13.107 ( 11.913 1.258 -0.000) 11.979 13.107 ( 11.913 1.258 0.000) 11.979 =================== 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 3/21504 10.0 1063.485 1161.452 904.380 0.000 0.000 0.000 3/21504 20.0 271.571 267.960 235.243 0.000 0.000 0.000 3/21504 30.0 105.207 107.973 90.396 0.000 0.000 0.000 3/21504 40.0 57.998 62.604 49.943 0.000 0.000 0.000 3/21504 50.0 38.309 42.807 33.193 0.000 0.000 0.000 3/21504 60.0 27.767 31.652 24.248 0.000 0.000 0.000 3/21504 70.0 21.306 24.547 18.748 0.000 0.000 0.000 3/21504 80.0 17.027 19.724 15.085 0.000 0.000 0.000 3/21504 90.0 14.044 16.310 12.513 0.000 0.000 0.000 3/21504 100.0 11.881 13.812 10.634 0.000 0.000 0.000 3/21504 110.0 10.260 11.930 9.218 0.000 0.000 0.000 3/21504 120.0 9.012 10.476 8.121 0.000 0.000 0.000 3/21504 130.0 8.028 9.326 7.251 0.000 0.000 0.000 3/21504 140.0 7.235 8.400 6.548 0.000 0.000 0.000 3/21504 150.0 6.585 7.639 5.968 0.000 0.000 0.000 3/21504 160.0 6.043 7.005 5.484 0.000 0.000 0.000 3/21504 170.0 5.585 6.470 5.073 0.000 0.000 0.000 3/21504 180.0 5.192 6.012 4.721 0.000 0.000 0.000 3/21504 190.0 4.853 5.615 4.416 0.000 0.000 0.000 3/21504 200.0 4.557 5.270 4.149 0.000 0.000 0.000 3/21504 210.0 4.296 4.965 3.913 0.000 0.000 0.000 3/21504 220.0 4.064 4.695 3.703 0.000 0.000 0.000 3/21504 230.0 3.857 4.454 3.516 0.000 0.000 0.000 3/21504 240.0 3.671 4.237 3.347 0.000 0.000 0.000 3/21504 250.0 3.503 4.041 3.194 0.000 0.000 0.000 3/21504 260.0 3.350 3.863 3.055 0.000 0.000 0.000 3/21504 270.0 3.210 3.700 2.928 0.000 0.000 0.000 3/21504 280.0 3.081 3.551 2.811 0.000 0.000 0.000 3/21504 290.0 2.963 3.414 2.704 0.000 0.000 0.000 3/21504 300.0 2.854 3.288 2.605 0.000 0.000 0.000 3/21504 310.0 2.753 3.170 2.513 0.000 0.000 0.000 3/21504 320.0 2.660 3.062 2.427 0.000 0.000 0.000 3/21504 330.0 2.572 2.960 2.348 0.000 0.000 0.000 3/21504 340.0 2.490 2.866 2.273 0.000 0.000 0.000 3/21504 350.0 2.414 2.777 2.203 0.000 0.000 0.000 3/21504 360.0 2.342 2.694 2.138 0.000 0.000 0.000 3/21504 370.0 2.274 2.616 2.076 0.000 0.000 0.000 3/21504 380.0 2.210 2.542 2.018 0.000 0.000 0.000 3/21504 390.0 2.150 2.472 1.963 0.000 0.000 0.000 3/21504 400.0 2.093 2.407 1.911 0.000 0.000 0.000 3/21504 410.0 2.040 2.344 1.862 0.000 0.000 0.000 3/21504 420.0 1.988 2.285 1.816 0.000 0.000 0.000 3/21504 430.0 1.940 2.229 1.771 0.000 0.000 0.000 3/21504 440.0 1.894 2.176 1.729 0.000 0.000 0.000 3/21504 450.0 1.850 2.125 1.689 0.000 0.000 0.000 3/21504 460.0 1.808 2.077 1.651 0.000 0.000 0.000 3/21504 470.0 1.768 2.031 1.614 0.000 0.000 0.000 3/21504 480.0 1.729 1.986 1.579 0.000 0.000 0.000 3/21504 490.0 1.693 1.944 1.546 0.000 0.000 0.000 3/21504 500.0 1.658 1.904 1.514 0.000 0.000 0.000 3/21504 510.0 1.624 1.865 1.483 0.000 0.000 0.000 3/21504 520.0 1.592 1.828 1.454 0.000 0.000 0.000 3/21504 530.0 1.561 1.792 1.425 0.000 0.000 0.000 3/21504 540.0 1.531 1.758 1.398 0.000 0.000 0.000 3/21504 550.0 1.502 1.725 1.372 0.000 0.000 0.000 3/21504 560.0 1.475 1.693 1.347 0.000 0.000 0.000 3/21504 570.0 1.448 1.662 1.322 0.000 0.000 0.000 3/21504 580.0 1.422 1.633 1.299 0.000 0.000 0.000 3/21504 590.0 1.398 1.604 1.276 0.000 0.000 0.000 3/21504 600.0 1.374 1.577 1.255 0.000 0.000 0.000 3/21504 610.0 1.351 1.550 1.234 0.000 0.000 0.000 3/21504 620.0 1.328 1.525 1.213 0.000 0.000 0.000 3/21504 630.0 1.307 1.500 1.193 0.000 0.000 0.000 3/21504 640.0 1.286 1.476 1.174 0.000 0.000 0.000 3/21504 650.0 1.266 1.453 1.156 0.000 0.000 0.000 3/21504 660.0 1.246 1.430 1.138 0.000 0.000 0.000 3/21504 670.0 1.227 1.408 1.121 0.000 0.000 0.000 3/21504 680.0 1.209 1.387 1.104 0.000 0.000 0.000 3/21504 690.0 1.191 1.367 1.088 0.000 0.000 0.000 3/21504 700.0 1.174 1.347 1.072 0.000 0.000 0.000 3/21504 710.0 1.157 1.327 1.057 0.000 0.000 0.000 3/21504 720.0 1.140 1.309 1.042 0.000 0.000 0.000 3/21504 730.0 1.125 1.290 1.027 0.000 0.000 0.000 3/21504 740.0 1.109 1.273 1.013 0.000 0.000 0.000 3/21504 750.0 1.094 1.255 0.999 0.000 0.000 0.000 3/21504 760.0 1.080 1.239 0.986 0.000 0.000 0.000 3/21504 770.0 1.065 1.222 0.973 0.000 0.000 0.000 3/21504 780.0 1.051 1.206 0.960 0.000 0.000 0.000 3/21504 790.0 1.038 1.191 0.948 0.000 0.000 0.000 3/21504 800.0 1.025 1.176 0.936 0.000 0.000 0.000 3/21504 810.0 1.012 1.161 0.924 0.000 0.000 0.000 3/21504 820.0 0.999 1.147 0.913 0.000 0.000 0.000 3/21504 830.0 0.987 1.133 0.902 0.000 0.000 0.000 3/21504 840.0 0.975 1.119 0.891 0.000 0.000 0.000 3/21504 850.0 0.964 1.106 0.880 0.000 0.000 0.000 3/21504 860.0 0.952 1.093 0.870 0.000 0.000 0.000 3/21504 870.0 0.941 1.080 0.860 0.000 0.000 0.000 3/21504 880.0 0.931 1.067 0.850 0.000 0.000 0.000 3/21504 890.0 0.920 1.055 0.840 0.000 0.000 0.000 3/21504 900.0 0.910 1.043 0.831 0.000 0.000 0.000 3/21504 910.0 0.900 1.032 0.822 0.000 0.000 0.000 3/21504 920.0 0.890 1.020 0.813 0.000 0.000 0.000 3/21504 930.0 0.880 1.009 0.804 0.000 0.000 0.000 3/21504 940.0 0.871 0.999 0.795 0.000 0.000 0.000 3/21504 950.0 0.861 0.988 0.787 0.000 0.000 0.000 3/21504 960.0 0.852 0.978 0.778 0.000 0.000 0.000 3/21504 970.0 0.843 0.967 0.770 0.000 0.000 0.000 3/21504 980.0 0.835 0.957 0.762 0.000 0.000 0.000 3/21504 990.0 0.826 0.948 0.755 0.000 0.000 0.000 3/21504 1000.0 0.818 0.938 0.747 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m8144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:38:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|