----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:41:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806732350400386 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889231710000000 0.000000000000000 c -2.807068707342470 0.000000000000000 5.244099334514853 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 *2 O 0.35969645537569 0.41038258528320 0.24718996857565 15.999 3 O 0.64030354462431 0.91038258528320 0.25281003142435 15.999 4 O 0.64030354462431 0.58961741471680 0.75281003142435 15.999 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.35969645537569 0.08961741471680 0.74718996857565 15.999 *7 Na 0.14105534889693 0.65594146322249 0.90449813120836 22.990 8 Na 0.14105534889693 0.84405853677751 0.40449813120836 22.990 9 Na 0.85894465110306 0.34405853677751 0.09550186879164 22.990 10 Na 0.85894465110306 0.15594146322249 0.59550186879164 22.990 *11 Zn 0.65991773785998 0.87670155544564 0.92170446481509 65.380 12 Zn 0.65991773785998 0.62329844455436 0.42170446481509 65.380 13 Zn 0.34008226214002 0.12329844455436 0.07829553518491 65.380 14 Zn 0.34008226214002 0.37670155544564 0.57829553518491 65.380 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.806732350400386 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889231710000000 0.000000000000000 c -2.807068707342470 0.000000000000000 5.244099334514853 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 1 *2 O 0.35969645537569 0.41038258528320 0.24718996857565 15.999 > 2 3 O 0.64030354462431 0.91038258528320 0.25281003142435 15.999 > 3 4 O 0.64030354462431 0.58961741471680 0.75281003142435 15.999 > 4 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 6 O 0.35969645537569 0.08961741471680 0.74718996857565 15.999 > 6 *7 Na 0.14105534889693 0.65594146322249 0.90449813120836 22.990 > 7 8 Na 0.14105534889693 0.84405853677751 0.40449813120836 22.990 > 8 9 Na 0.85894465110306 0.34405853677751 0.09550186879164 22.990 > 9 10 Na 0.85894465110306 0.15594146322249 0.59550186879164 22.990 > 10 *11 Zn 0.65991773785998 0.87670155544564 0.92170446481509 65.380 > 11 12 Zn 0.65991773785998 0.62329844455436 0.42170446481509 65.380 > 12 13 Zn 0.34008226214002 0.12329844455436 0.07829553518491 65.380 > 13 14 Zn 0.34008226214002 0.37670155544564 0.57829553518491 65.380 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.613464700800773 0.000000000000000 0.000000000000000 b 0.000000000000000 11.778463420000000 0.000000000000000 c -5.614137414684940 0.000000000000000 10.488198669029707 Atomic positions (fractional): *1 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 1 *9 O 0.17984822768785 0.20519129264160 0.12359498428783 15.999 > 2 10 O 0.67984822768785 0.20519129264160 0.12359498428783 15.999 > 2 11 O 0.17984822768785 0.70519129264160 0.12359498428783 15.999 > 2 12 O 0.67984822768785 0.70519129264160 0.12359498428783 15.999 > 2 13 O 0.17984822768785 0.20519129264160 0.62359498428783 15.999 > 2 14 O 0.67984822768785 0.20519129264160 0.62359498428783 15.999 > 2 15 O 0.17984822768785 0.70519129264160 0.62359498428783 15.999 > 2 16 O 0.67984822768785 0.70519129264160 0.62359498428783 15.999 > 2 17 O 0.32015177231215 0.45519129264160 0.12640501571217 15.999 > 3 18 O 0.82015177231215 0.45519129264160 0.12640501571217 15.999 > 3 19 O 0.32015177231215 0.95519129264160 0.12640501571217 15.999 > 3 20 O 0.82015177231215 0.95519129264160 0.12640501571217 15.999 > 3 21 O 0.32015177231215 0.45519129264160 0.62640501571217 15.999 > 3 22 O 0.82015177231215 0.45519129264160 0.62640501571217 15.999 > 3 23 O 0.32015177231215 0.95519129264160 0.62640501571217 15.999 > 3 24 O 0.82015177231215 0.95519129264160 0.62640501571217 15.999 > 3 25 O 0.32015177231215 0.29480870735840 0.37640501571217 15.999 > 4 26 O 0.82015177231215 0.29480870735840 0.37640501571217 15.999 > 4 27 O 0.32015177231215 0.79480870735840 0.37640501571217 15.999 > 4 28 O 0.82015177231215 0.79480870735840 0.37640501571217 15.999 > 4 29 O 0.32015177231215 0.29480870735840 0.87640501571217 15.999 > 4 30 O 0.82015177231215 0.29480870735840 0.87640501571217 15.999 > 4 31 O 0.32015177231215 0.79480870735840 0.87640501571217 15.999 > 4 32 O 0.82015177231215 0.79480870735840 0.87640501571217 15.999 > 4 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 5 34 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 5 35 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 5 36 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 5 37 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 5 38 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 5 39 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 5 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 5 41 O 0.17984822768785 0.04480870735840 0.37359498428783 15.999 > 6 42 O 0.67984822768785 0.04480870735840 0.37359498428783 15.999 > 6 43 O 0.17984822768785 0.54480870735840 0.37359498428783 15.999 > 6 44 O 0.67984822768785 0.54480870735840 0.37359498428783 15.999 > 6 45 O 0.17984822768785 0.04480870735840 0.87359498428783 15.999 > 6 46 O 0.67984822768785 0.04480870735840 0.87359498428783 15.999 > 6 47 O 0.17984822768785 0.54480870735840 0.87359498428783 15.999 > 6 48 O 0.67984822768785 0.54480870735840 0.87359498428783 15.999 > 6 *49 Na 0.07052767444847 0.32797073161125 0.45224906560418 22.990 > 7 50 Na 0.57052767444847 0.32797073161125 0.45224906560418 22.990 > 7 51 Na 0.07052767444847 0.82797073161125 0.45224906560418 22.990 > 7 52 Na 0.57052767444847 0.82797073161125 0.45224906560418 22.990 > 7 53 Na 0.07052767444847 0.32797073161125 0.95224906560418 22.990 > 7 54 Na 0.57052767444847 0.32797073161125 0.95224906560418 22.990 > 7 55 Na 0.07052767444847 0.82797073161125 0.95224906560418 22.990 > 7 56 Na 0.57052767444847 0.82797073161125 0.95224906560418 22.990 > 7 57 Na 0.07052767444847 0.42202926838875 0.20224906560418 22.990 > 8 58 Na 0.57052767444847 0.42202926838875 0.20224906560418 22.990 > 8 59 Na 0.07052767444847 0.92202926838875 0.20224906560418 22.990 > 8 60 Na 0.57052767444847 0.92202926838875 0.20224906560418 22.990 > 8 61 Na 0.07052767444847 0.42202926838875 0.70224906560418 22.990 > 8 62 Na 0.57052767444847 0.42202926838875 0.70224906560418 22.990 > 8 63 Na 0.07052767444847 0.92202926838875 0.70224906560418 22.990 > 8 64 Na 0.57052767444847 0.92202926838875 0.70224906560418 22.990 > 8 65 Na 0.42947232555153 0.17202926838875 0.04775093439582 22.990 > 9 66 Na 0.92947232555153 0.17202926838875 0.04775093439582 22.990 > 9 67 Na 0.42947232555153 0.67202926838875 0.04775093439582 22.990 > 9 68 Na 0.92947232555153 0.67202926838875 0.04775093439582 22.990 > 9 69 Na 0.42947232555153 0.17202926838875 0.54775093439582 22.990 > 9 70 Na 0.92947232555153 0.17202926838875 0.54775093439582 22.990 > 9 71 Na 0.42947232555153 0.67202926838875 0.54775093439582 22.990 > 9 72 Na 0.92947232555153 0.67202926838875 0.54775093439582 22.990 > 9 73 Na 0.42947232555153 0.07797073161125 0.29775093439582 22.990 > 10 74 Na 0.92947232555153 0.07797073161125 0.29775093439582 22.990 > 10 75 Na 0.42947232555153 0.57797073161125 0.29775093439582 22.990 > 10 76 Na 0.92947232555153 0.57797073161125 0.29775093439582 22.990 > 10 77 Na 0.42947232555153 0.07797073161125 0.79775093439582 22.990 > 10 78 Na 0.92947232555153 0.07797073161125 0.79775093439582 22.990 > 10 79 Na 0.42947232555153 0.57797073161125 0.79775093439582 22.990 > 10 80 Na 0.92947232555153 0.57797073161125 0.79775093439582 22.990 > 10 *81 Zn 0.32995886892999 0.43835077772282 0.46085223240754 65.380 > 11 82 Zn 0.82995886892999 0.43835077772282 0.46085223240754 65.380 > 11 83 Zn 0.32995886892999 0.93835077772282 0.46085223240754 65.380 > 11 84 Zn 0.82995886892999 0.93835077772282 0.46085223240754 65.380 > 11 85 Zn 0.32995886892999 0.43835077772282 0.96085223240754 65.380 > 11 86 Zn 0.82995886892999 0.43835077772282 0.96085223240754 65.380 > 11 87 Zn 0.32995886892999 0.93835077772282 0.96085223240754 65.380 > 11 88 Zn 0.82995886892999 0.93835077772282 0.96085223240754 65.380 > 11 89 Zn 0.32995886892999 0.31164922227718 0.21085223240754 65.380 > 12 90 Zn 0.82995886892999 0.31164922227718 0.21085223240754 65.380 > 12 91 Zn 0.32995886892999 0.81164922227718 0.21085223240754 65.380 > 12 92 Zn 0.82995886892999 0.81164922227718 0.21085223240754 65.380 > 12 93 Zn 0.32995886892999 0.31164922227718 0.71085223240754 65.380 > 12 94 Zn 0.82995886892999 0.31164922227718 0.71085223240754 65.380 > 12 95 Zn 0.32995886892999 0.81164922227718 0.71085223240754 65.380 > 12 96 Zn 0.82995886892999 0.81164922227718 0.71085223240754 65.380 > 12 97 Zn 0.17004113107001 0.06164922227718 0.03914776759246 65.380 > 13 98 Zn 0.67004113107001 0.06164922227718 0.03914776759246 65.380 > 13 99 Zn 0.17004113107001 0.56164922227718 0.03914776759246 65.380 > 13 100 Zn 0.67004113107001 0.56164922227718 0.03914776759246 65.380 > 13 101 Zn 0.17004113107001 0.06164922227718 0.53914776759246 65.380 > 13 102 Zn 0.67004113107001 0.06164922227718 0.53914776759246 65.380 > 13 103 Zn 0.17004113107001 0.56164922227718 0.53914776759246 65.380 > 13 104 Zn 0.67004113107001 0.56164922227718 0.53914776759246 65.380 > 13 105 Zn 0.17004113107001 0.18835077772282 0.28914776759246 65.380 > 14 106 Zn 0.67004113107001 0.18835077772282 0.28914776759246 65.380 > 14 107 Zn 0.17004113107001 0.68835077772282 0.28914776759246 65.380 > 14 108 Zn 0.67004113107001 0.68835077772282 0.28914776759246 65.380 > 14 109 Zn 0.17004113107001 0.18835077772282 0.78914776759246 65.380 > 14 110 Zn 0.67004113107001 0.18835077772282 0.78914776759246 65.380 > 14 111 Zn 0.17004113107001 0.68835077772282 0.78914776759246 65.380 > 14 112 Zn 0.67004113107001 0.68835077772282 0.78914776759246 65.380 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6397528 0.0000000 0.0216261 0.0000000 4.9553262 0.0000000 0.0216255 0.0000000 4.2100109 -------------------------- Born effective charges -------------------------- 1 O -2.6604269 0.4774629 -0.2741601 0.5062203 -1.7235405 0.1228020 -0.2553982 0.2602793 -1.4869624 2 O -1.9010231 -0.2408852 0.1354460 -0.0171253 -2.2446394 -0.6328894 0.0915100 -0.3899561 -2.1068031 3 O -1.9010231 0.2408852 0.1354460 0.0171253 -2.2446394 0.6328894 0.0915100 0.3899561 -2.1068031 4 O -1.9010231 -0.2408852 0.1354460 -0.0171253 -2.2446394 -0.6328894 0.0915100 -0.3899561 -2.1068031 5 O -2.6604269 -0.4774629 -0.2741601 -0.5062203 -1.7235405 -0.1228020 -0.2553982 -0.2602793 -1.4869624 6 O -1.9010231 0.2408852 0.1354460 0.0171253 -2.2446394 0.6328894 0.0915100 0.3899561 -2.1068031 7 Na 1.1015022 0.0269378 0.0631940 0.0340778 1.0407664 -0.0186170 0.0649519 -0.0091151 1.0246435 8 Na 1.1015022 -0.0269378 0.0631940 -0.0340778 1.0407664 0.0186170 0.0649519 0.0091151 1.0246435 9 Na 1.1015022 0.0269378 0.0631940 0.0340778 1.0407664 -0.0186170 0.0649519 -0.0091151 1.0246435 10 Na 1.1015022 -0.0269378 0.0631940 -0.0340778 1.0407664 0.0186170 0.0649519 0.0091151 1.0246435 11 Zn 2.1297344 -0.0729374 -0.0615600 -0.1219164 2.0656432 0.0480568 -0.0287628 0.4215682 1.8256408 12 Zn 2.1297344 0.0729374 -0.0615600 0.1219164 2.0656432 -0.0480568 -0.0287628 -0.4215682 1.8256408 13 Zn 2.1297344 -0.0729374 -0.0615600 -0.1219164 2.0656432 0.0480568 -0.0287628 0.4215682 1.8256408 14 Zn 2.1297344 0.0729374 -0.0615600 0.1219164 2.0656432 -0.0480568 -0.0287628 -0.4215682 1.8256408 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 480 - Time: 3.173 Solver_block: 200 / 480 - Time: 3.250 Solver_block: 300 / 480 - Time: 3.139 Solver_block: 400 / 480 - Time: 3.114 Solver_block: 480 / 480 - Time: 2.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.605 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1866 Number of blocks in projector: 1866 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: 396 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 226 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 226 Use standard eigh solver. Tree of FC basis block matrices: - (1866, 1831), data: False |-- (226, 222), data: True |-- (226, 222), data: True |-- (226, 222), data: True |-- (396, 389), data: True |-- (396, 388), data: True |-- (396, 388), 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 22:42:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:42:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806732350400386 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889231710000000 0.000000000000000 c -2.807068707342470 0.000000000000000 5.244099334514853 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.35969645537569 0.41038258528320 0.24718996857565 15.999 3 O 0.64030354462431 0.91038258528320 0.25281003142435 15.999 4 O 0.64030354462431 0.58961741471680 0.75281003142435 15.999 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.35969645537569 0.08961741471680 0.74718996857565 15.999 7 Na 0.14105534889693 0.65594146322249 0.90449813120836 22.990 8 Na 0.14105534889693 0.84405853677751 0.40449813120836 22.990 9 Na 0.85894465110306 0.34405853677751 0.09550186879164 22.990 10 Na 0.85894465110306 0.15594146322249 0.59550186879164 22.990 11 Zn 0.65991773785998 0.87670155544564 0.92170446481509 65.380 12 Zn 0.65991773785998 0.62329844455436 0.42170446481509 65.380 13 Zn 0.34008226214002 0.12329844455436 0.07829553518491 65.380 14 Zn 0.34008226214002 0.37670155544564 0.57829553518491 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.613464700800773 0.000000000000000 0.000000000000000 b 0.000000000000000 11.778463420000000 0.000000000000000 c -5.614137414684940 0.000000000000000 10.488198669029707 Atomic positions (fractional): 1 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.17984822768785 0.20519129264160 0.12359498428783 15.999 > 9 10 O 0.67984822768785 0.20519129264160 0.12359498428783 15.999 > 9 11 O 0.17984822768785 0.70519129264160 0.12359498428783 15.999 > 9 12 O 0.67984822768785 0.70519129264160 0.12359498428783 15.999 > 9 13 O 0.17984822768785 0.20519129264160 0.62359498428783 15.999 > 9 14 O 0.67984822768785 0.20519129264160 0.62359498428783 15.999 > 9 15 O 0.17984822768785 0.70519129264160 0.62359498428783 15.999 > 9 16 O 0.67984822768785 0.70519129264160 0.62359498428783 15.999 > 9 17 O 0.32015177231215 0.45519129264160 0.12640501571217 15.999 > 17 18 O 0.82015177231215 0.45519129264160 0.12640501571217 15.999 > 17 19 O 0.32015177231215 0.95519129264160 0.12640501571217 15.999 > 17 20 O 0.82015177231215 0.95519129264160 0.12640501571217 15.999 > 17 21 O 0.32015177231215 0.45519129264160 0.62640501571217 15.999 > 17 22 O 0.82015177231215 0.45519129264160 0.62640501571217 15.999 > 17 23 O 0.32015177231215 0.95519129264160 0.62640501571217 15.999 > 17 24 O 0.82015177231215 0.95519129264160 0.62640501571217 15.999 > 17 25 O 0.32015177231215 0.29480870735840 0.37640501571217 15.999 > 25 26 O 0.82015177231215 0.29480870735840 0.37640501571217 15.999 > 25 27 O 0.32015177231215 0.79480870735840 0.37640501571217 15.999 > 25 28 O 0.82015177231215 0.79480870735840 0.37640501571217 15.999 > 25 29 O 0.32015177231215 0.29480870735840 0.87640501571217 15.999 > 25 30 O 0.82015177231215 0.29480870735840 0.87640501571217 15.999 > 25 31 O 0.32015177231215 0.79480870735840 0.87640501571217 15.999 > 25 32 O 0.82015177231215 0.79480870735840 0.87640501571217 15.999 > 25 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 33 36 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 33 38 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 33 39 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 33 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 33 41 O 0.17984822768785 0.04480870735840 0.37359498428783 15.999 > 41 42 O 0.67984822768785 0.04480870735840 0.37359498428783 15.999 > 41 43 O 0.17984822768785 0.54480870735840 0.37359498428783 15.999 > 41 44 O 0.67984822768785 0.54480870735840 0.37359498428783 15.999 > 41 45 O 0.17984822768785 0.04480870735840 0.87359498428783 15.999 > 41 46 O 0.67984822768785 0.04480870735840 0.87359498428783 15.999 > 41 47 O 0.17984822768785 0.54480870735840 0.87359498428783 15.999 > 41 48 O 0.67984822768785 0.54480870735840 0.87359498428783 15.999 > 41 49 Na 0.07052767444847 0.32797073161125 0.45224906560418 22.990 > 49 50 Na 0.57052767444847 0.32797073161125 0.45224906560418 22.990 > 49 51 Na 0.07052767444847 0.82797073161125 0.45224906560418 22.990 > 49 52 Na 0.57052767444847 0.82797073161125 0.45224906560418 22.990 > 49 53 Na 0.07052767444847 0.32797073161125 0.95224906560418 22.990 > 49 54 Na 0.57052767444847 0.32797073161125 0.95224906560418 22.990 > 49 55 Na 0.07052767444847 0.82797073161125 0.95224906560418 22.990 > 49 56 Na 0.57052767444847 0.82797073161125 0.95224906560418 22.990 > 49 57 Na 0.07052767444847 0.42202926838875 0.20224906560418 22.990 > 57 58 Na 0.57052767444847 0.42202926838875 0.20224906560418 22.990 > 57 59 Na 0.07052767444847 0.92202926838875 0.20224906560418 22.990 > 57 60 Na 0.57052767444847 0.92202926838875 0.20224906560418 22.990 > 57 61 Na 0.07052767444847 0.42202926838875 0.70224906560418 22.990 > 57 62 Na 0.57052767444847 0.42202926838875 0.70224906560418 22.990 > 57 63 Na 0.07052767444847 0.92202926838875 0.70224906560418 22.990 > 57 64 Na 0.57052767444847 0.92202926838875 0.70224906560418 22.990 > 57 65 Na 0.42947232555153 0.17202926838875 0.04775093439582 22.990 > 65 66 Na 0.92947232555153 0.17202926838875 0.04775093439582 22.990 > 65 67 Na 0.42947232555153 0.67202926838875 0.04775093439582 22.990 > 65 68 Na 0.92947232555153 0.67202926838875 0.04775093439582 22.990 > 65 69 Na 0.42947232555153 0.17202926838875 0.54775093439582 22.990 > 65 70 Na 0.92947232555153 0.17202926838875 0.54775093439582 22.990 > 65 71 Na 0.42947232555153 0.67202926838875 0.54775093439582 22.990 > 65 72 Na 0.92947232555153 0.67202926838875 0.54775093439582 22.990 > 65 73 Na 0.42947232555153 0.07797073161125 0.29775093439582 22.990 > 73 74 Na 0.92947232555153 0.07797073161125 0.29775093439582 22.990 > 73 75 Na 0.42947232555153 0.57797073161125 0.29775093439582 22.990 > 73 76 Na 0.92947232555153 0.57797073161125 0.29775093439582 22.990 > 73 77 Na 0.42947232555153 0.07797073161125 0.79775093439582 22.990 > 73 78 Na 0.92947232555153 0.07797073161125 0.79775093439582 22.990 > 73 79 Na 0.42947232555153 0.57797073161125 0.79775093439582 22.990 > 73 80 Na 0.92947232555153 0.57797073161125 0.79775093439582 22.990 > 73 81 Zn 0.32995886892999 0.43835077772282 0.46085223240754 65.380 > 81 82 Zn 0.82995886892999 0.43835077772282 0.46085223240754 65.380 > 81 83 Zn 0.32995886892999 0.93835077772282 0.46085223240754 65.380 > 81 84 Zn 0.82995886892999 0.93835077772282 0.46085223240754 65.380 > 81 85 Zn 0.32995886892999 0.43835077772282 0.96085223240754 65.380 > 81 86 Zn 0.82995886892999 0.43835077772282 0.96085223240754 65.380 > 81 87 Zn 0.32995886892999 0.93835077772282 0.96085223240754 65.380 > 81 88 Zn 0.82995886892999 0.93835077772282 0.96085223240754 65.380 > 81 89 Zn 0.32995886892999 0.31164922227718 0.21085223240754 65.380 > 89 90 Zn 0.82995886892999 0.31164922227718 0.21085223240754 65.380 > 89 91 Zn 0.32995886892999 0.81164922227718 0.21085223240754 65.380 > 89 92 Zn 0.82995886892999 0.81164922227718 0.21085223240754 65.380 > 89 93 Zn 0.32995886892999 0.31164922227718 0.71085223240754 65.380 > 89 94 Zn 0.82995886892999 0.31164922227718 0.71085223240754 65.380 > 89 95 Zn 0.32995886892999 0.81164922227718 0.71085223240754 65.380 > 89 96 Zn 0.82995886892999 0.81164922227718 0.71085223240754 65.380 > 89 97 Zn 0.17004113107001 0.06164922227718 0.03914776759246 65.380 > 97 98 Zn 0.67004113107001 0.06164922227718 0.03914776759246 65.380 > 97 99 Zn 0.17004113107001 0.56164922227718 0.03914776759246 65.380 > 97 100 Zn 0.67004113107001 0.56164922227718 0.03914776759246 65.380 > 97 101 Zn 0.17004113107001 0.06164922227718 0.53914776759246 65.380 > 97 102 Zn 0.67004113107001 0.06164922227718 0.53914776759246 65.380 > 97 103 Zn 0.17004113107001 0.56164922227718 0.53914776759246 65.380 > 97 104 Zn 0.67004113107001 0.56164922227718 0.53914776759246 65.380 > 97 105 Zn 0.17004113107001 0.18835077772282 0.28914776759246 65.380 > 105 106 Zn 0.67004113107001 0.18835077772282 0.28914776759246 65.380 > 105 107 Zn 0.17004113107001 0.68835077772282 0.28914776759246 65.380 > 105 108 Zn 0.67004113107001 0.68835077772282 0.28914776759246 65.380 > 105 109 Zn 0.17004113107001 0.18835077772282 0.78914776759246 65.380 > 105 110 Zn 0.67004113107001 0.18835077772282 0.78914776759246 65.380 > 105 111 Zn 0.17004113107001 0.68835077772282 0.78914776759246 65.380 > 105 112 Zn 0.67004113107001 0.68835077772282 0.78914776759246 65.380 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6397528 0.0000000 0.0216261 0.0000000 4.9553262 0.0000000 0.0216255 0.0000000 4.2100109 -------------------------- Born effective charges -------------------------- 1 O -2.6604269 0.4774629 -0.2741601 0.5062203 -1.7235405 0.1228020 -0.2553982 0.2602793 -1.4869624 2 O -1.9010231 -0.2408852 0.1354460 -0.0171253 -2.2446394 -0.6328894 0.0915100 -0.3899561 -2.1068031 3 O -1.9010231 0.2408852 0.1354460 0.0171253 -2.2446394 0.6328894 0.0915100 0.3899561 -2.1068031 4 O -1.9010231 -0.2408852 0.1354460 -0.0171253 -2.2446394 -0.6328894 0.0915100 -0.3899561 -2.1068031 5 O -2.6604269 -0.4774629 -0.2741601 -0.5062203 -1.7235405 -0.1228020 -0.2553982 -0.2602793 -1.4869624 6 O -1.9010231 0.2408852 0.1354460 0.0171253 -2.2446394 0.6328894 0.0915100 0.3899561 -2.1068031 7 Na 1.1015022 0.0269378 0.0631940 0.0340778 1.0407664 -0.0186170 0.0649519 -0.0091151 1.0246435 8 Na 1.1015022 -0.0269378 0.0631940 -0.0340778 1.0407664 0.0186170 0.0649519 0.0091151 1.0246435 9 Na 1.1015022 0.0269378 0.0631940 0.0340778 1.0407664 -0.0186170 0.0649519 -0.0091151 1.0246435 10 Na 1.1015022 -0.0269378 0.0631940 -0.0340778 1.0407664 0.0186170 0.0649519 0.0091151 1.0246435 11 Zn 2.1297344 -0.0729374 -0.0615600 -0.1219164 2.0656432 0.0480568 -0.0287628 0.4215682 1.8256408 12 Zn 2.1297344 0.0729374 -0.0615600 0.1219164 2.0656432 -0.0480568 -0.0287628 -0.4215682 1.8256408 13 Zn 2.1297344 -0.0729374 -0.0615600 -0.1219164 2.0656432 0.0480568 -0.0287628 0.4215682 1.8256408 14 Zn 2.1297344 0.0729374 -0.0615600 0.1219164 2.0656432 -0.0480568 -0.0287628 -0.4215682 1.8256408 ---------------------------------------------------------------------------- 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 9, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 81, 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] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zx) 0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:42:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:42:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.806732350400386 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889231710000000 0.000000000000000 c -2.807068707342470 0.000000000000000 5.244099334514853 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 2 O 0.35969645537569 0.41038258528320 0.24718996857565 15.999 3 O 0.64030354462431 0.91038258528320 0.25281003142435 15.999 4 O 0.64030354462431 0.58961741471680 0.75281003142435 15.999 5 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 6 O 0.35969645537569 0.08961741471680 0.74718996857565 15.999 7 Na 0.14105534889693 0.65594146322249 0.90449813120836 22.990 8 Na 0.14105534889693 0.84405853677751 0.40449813120836 22.990 9 Na 0.85894465110306 0.34405853677751 0.09550186879164 22.990 10 Na 0.85894465110306 0.15594146322249 0.59550186879164 22.990 11 Zn 0.65991773785998 0.87670155544564 0.92170446481509 65.380 12 Zn 0.65991773785998 0.62329844455436 0.42170446481509 65.380 13 Zn 0.34008226214002 0.12329844455436 0.07829553518491 65.380 14 Zn 0.34008226214002 0.37670155544564 0.57829553518491 65.380 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.613464700800773 0.000000000000000 0.000000000000000 b 0.000000000000000 11.778463420000000 0.000000000000000 c -5.614137414684940 0.000000000000000 10.488198669029707 Atomic positions (fractional): 1 O 0.00000000000000 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.50000000000000 0.25000000000000 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.75000000000000 0.25000000000000 15.999 > 1 4 O 0.50000000000000 0.75000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.25000000000000 0.75000000000000 15.999 > 1 6 O 0.50000000000000 0.25000000000000 0.75000000000000 15.999 > 1 7 O 0.00000000000000 0.75000000000000 0.75000000000000 15.999 > 1 8 O 0.50000000000000 0.75000000000000 0.75000000000000 15.999 > 1 9 O 0.17984822768785 0.20519129264160 0.12359498428783 15.999 > 9 10 O 0.67984822768785 0.20519129264160 0.12359498428783 15.999 > 9 11 O 0.17984822768785 0.70519129264160 0.12359498428783 15.999 > 9 12 O 0.67984822768785 0.70519129264160 0.12359498428783 15.999 > 9 13 O 0.17984822768785 0.20519129264160 0.62359498428783 15.999 > 9 14 O 0.67984822768785 0.20519129264160 0.62359498428783 15.999 > 9 15 O 0.17984822768785 0.70519129264160 0.62359498428783 15.999 > 9 16 O 0.67984822768785 0.70519129264160 0.62359498428783 15.999 > 9 17 O 0.32015177231215 0.45519129264160 0.12640501571217 15.999 > 17 18 O 0.82015177231215 0.45519129264160 0.12640501571217 15.999 > 17 19 O 0.32015177231215 0.95519129264160 0.12640501571217 15.999 > 17 20 O 0.82015177231215 0.95519129264160 0.12640501571217 15.999 > 17 21 O 0.32015177231215 0.45519129264160 0.62640501571217 15.999 > 17 22 O 0.82015177231215 0.45519129264160 0.62640501571217 15.999 > 17 23 O 0.32015177231215 0.95519129264160 0.62640501571217 15.999 > 17 24 O 0.82015177231215 0.95519129264160 0.62640501571217 15.999 > 17 25 O 0.32015177231215 0.29480870735840 0.37640501571217 15.999 > 25 26 O 0.82015177231215 0.29480870735840 0.37640501571217 15.999 > 25 27 O 0.32015177231215 0.79480870735840 0.37640501571217 15.999 > 25 28 O 0.82015177231215 0.79480870735840 0.37640501571217 15.999 > 25 29 O 0.32015177231215 0.29480870735840 0.87640501571217 15.999 > 25 30 O 0.82015177231215 0.29480870735840 0.87640501571217 15.999 > 25 31 O 0.32015177231215 0.79480870735840 0.87640501571217 15.999 > 25 32 O 0.82015177231215 0.79480870735840 0.87640501571217 15.999 > 25 33 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 33 34 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 33 35 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 33 36 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 33 38 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 33 39 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 33 40 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 33 41 O 0.17984822768785 0.04480870735840 0.37359498428783 15.999 > 41 42 O 0.67984822768785 0.04480870735840 0.37359498428783 15.999 > 41 43 O 0.17984822768785 0.54480870735840 0.37359498428783 15.999 > 41 44 O 0.67984822768785 0.54480870735840 0.37359498428783 15.999 > 41 45 O 0.17984822768785 0.04480870735840 0.87359498428783 15.999 > 41 46 O 0.67984822768785 0.04480870735840 0.87359498428783 15.999 > 41 47 O 0.17984822768785 0.54480870735840 0.87359498428783 15.999 > 41 48 O 0.67984822768785 0.54480870735840 0.87359498428783 15.999 > 41 49 Na 0.07052767444847 0.32797073161125 0.45224906560418 22.990 > 49 50 Na 0.57052767444847 0.32797073161125 0.45224906560418 22.990 > 49 51 Na 0.07052767444847 0.82797073161125 0.45224906560418 22.990 > 49 52 Na 0.57052767444847 0.82797073161125 0.45224906560418 22.990 > 49 53 Na 0.07052767444847 0.32797073161125 0.95224906560418 22.990 > 49 54 Na 0.57052767444847 0.32797073161125 0.95224906560418 22.990 > 49 55 Na 0.07052767444847 0.82797073161125 0.95224906560418 22.990 > 49 56 Na 0.57052767444847 0.82797073161125 0.95224906560418 22.990 > 49 57 Na 0.07052767444847 0.42202926838875 0.20224906560418 22.990 > 57 58 Na 0.57052767444847 0.42202926838875 0.20224906560418 22.990 > 57 59 Na 0.07052767444847 0.92202926838875 0.20224906560418 22.990 > 57 60 Na 0.57052767444847 0.92202926838875 0.20224906560418 22.990 > 57 61 Na 0.07052767444847 0.42202926838875 0.70224906560418 22.990 > 57 62 Na 0.57052767444847 0.42202926838875 0.70224906560418 22.990 > 57 63 Na 0.07052767444847 0.92202926838875 0.70224906560418 22.990 > 57 64 Na 0.57052767444847 0.92202926838875 0.70224906560418 22.990 > 57 65 Na 0.42947232555153 0.17202926838875 0.04775093439582 22.990 > 65 66 Na 0.92947232555153 0.17202926838875 0.04775093439582 22.990 > 65 67 Na 0.42947232555153 0.67202926838875 0.04775093439582 22.990 > 65 68 Na 0.92947232555153 0.67202926838875 0.04775093439582 22.990 > 65 69 Na 0.42947232555153 0.17202926838875 0.54775093439582 22.990 > 65 70 Na 0.92947232555153 0.17202926838875 0.54775093439582 22.990 > 65 71 Na 0.42947232555153 0.67202926838875 0.54775093439582 22.990 > 65 72 Na 0.92947232555153 0.67202926838875 0.54775093439582 22.990 > 65 73 Na 0.42947232555153 0.07797073161125 0.29775093439582 22.990 > 73 74 Na 0.92947232555153 0.07797073161125 0.29775093439582 22.990 > 73 75 Na 0.42947232555153 0.57797073161125 0.29775093439582 22.990 > 73 76 Na 0.92947232555153 0.57797073161125 0.29775093439582 22.990 > 73 77 Na 0.42947232555153 0.07797073161125 0.79775093439582 22.990 > 73 78 Na 0.92947232555153 0.07797073161125 0.79775093439582 22.990 > 73 79 Na 0.42947232555153 0.57797073161125 0.79775093439582 22.990 > 73 80 Na 0.92947232555153 0.57797073161125 0.79775093439582 22.990 > 73 81 Zn 0.32995886892999 0.43835077772282 0.46085223240754 65.380 > 81 82 Zn 0.82995886892999 0.43835077772282 0.46085223240754 65.380 > 81 83 Zn 0.32995886892999 0.93835077772282 0.46085223240754 65.380 > 81 84 Zn 0.82995886892999 0.93835077772282 0.46085223240754 65.380 > 81 85 Zn 0.32995886892999 0.43835077772282 0.96085223240754 65.380 > 81 86 Zn 0.82995886892999 0.43835077772282 0.96085223240754 65.380 > 81 87 Zn 0.32995886892999 0.93835077772282 0.96085223240754 65.380 > 81 88 Zn 0.82995886892999 0.93835077772282 0.96085223240754 65.380 > 81 89 Zn 0.32995886892999 0.31164922227718 0.21085223240754 65.380 > 89 90 Zn 0.82995886892999 0.31164922227718 0.21085223240754 65.380 > 89 91 Zn 0.32995886892999 0.81164922227718 0.21085223240754 65.380 > 89 92 Zn 0.82995886892999 0.81164922227718 0.21085223240754 65.380 > 89 93 Zn 0.32995886892999 0.31164922227718 0.71085223240754 65.380 > 89 94 Zn 0.82995886892999 0.31164922227718 0.71085223240754 65.380 > 89 95 Zn 0.32995886892999 0.81164922227718 0.71085223240754 65.380 > 89 96 Zn 0.82995886892999 0.81164922227718 0.71085223240754 65.380 > 89 97 Zn 0.17004113107001 0.06164922227718 0.03914776759246 65.380 > 97 98 Zn 0.67004113107001 0.06164922227718 0.03914776759246 65.380 > 97 99 Zn 0.17004113107001 0.56164922227718 0.03914776759246 65.380 > 97 100 Zn 0.67004113107001 0.56164922227718 0.03914776759246 65.380 > 97 101 Zn 0.17004113107001 0.06164922227718 0.53914776759246 65.380 > 97 102 Zn 0.67004113107001 0.06164922227718 0.53914776759246 65.380 > 97 103 Zn 0.17004113107001 0.56164922227718 0.53914776759246 65.380 > 97 104 Zn 0.67004113107001 0.56164922227718 0.53914776759246 65.380 > 97 105 Zn 0.17004113107001 0.18835077772282 0.28914776759246 65.380 > 105 106 Zn 0.67004113107001 0.18835077772282 0.28914776759246 65.380 > 105 107 Zn 0.17004113107001 0.68835077772282 0.28914776759246 65.380 > 105 108 Zn 0.67004113107001 0.68835077772282 0.28914776759246 65.380 > 105 109 Zn 0.17004113107001 0.18835077772282 0.78914776759246 65.380 > 105 110 Zn 0.67004113107001 0.18835077772282 0.78914776759246 65.380 > 105 111 Zn 0.17004113107001 0.68835077772282 0.78914776759246 65.380 > 105 112 Zn 0.67004113107001 0.68835077772282 0.78914776759246 65.380 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6397528 0.0000000 0.0216261 0.0000000 4.9553262 0.0000000 0.0216255 0.0000000 4.2100109 -------------------------- Born effective charges -------------------------- 1 O -2.6604269 0.4774629 -0.2741601 0.5062203 -1.7235405 0.1228020 -0.2553982 0.2602793 -1.4869624 2 O -1.9010231 -0.2408852 0.1354460 -0.0171253 -2.2446394 -0.6328894 0.0915100 -0.3899561 -2.1068031 3 O -1.9010231 0.2408852 0.1354460 0.0171253 -2.2446394 0.6328894 0.0915100 0.3899561 -2.1068031 4 O -1.9010231 -0.2408852 0.1354460 -0.0171253 -2.2446394 -0.6328894 0.0915100 -0.3899561 -2.1068031 5 O -2.6604269 -0.4774629 -0.2741601 -0.5062203 -1.7235405 -0.1228020 -0.2553982 -0.2602793 -1.4869624 6 O -1.9010231 0.2408852 0.1354460 0.0171253 -2.2446394 0.6328894 0.0915100 0.3899561 -2.1068031 7 Na 1.1015022 0.0269378 0.0631940 0.0340778 1.0407664 -0.0186170 0.0649519 -0.0091151 1.0246435 8 Na 1.1015022 -0.0269378 0.0631940 -0.0340778 1.0407664 0.0186170 0.0649519 0.0091151 1.0246435 9 Na 1.1015022 0.0269378 0.0631940 0.0340778 1.0407664 -0.0186170 0.0649519 -0.0091151 1.0246435 10 Na 1.1015022 -0.0269378 0.0631940 -0.0340778 1.0407664 0.0186170 0.0649519 0.0091151 1.0246435 11 Zn 2.1297344 -0.0729374 -0.0615600 -0.1219164 2.0656432 0.0480568 -0.0287628 0.4215682 1.8256408 12 Zn 2.1297344 0.0729374 -0.0615600 0.1219164 2.0656432 -0.0480568 -0.0287628 -0.4215682 1.8256408 13 Zn 2.1297344 -0.0729374 -0.0615600 -0.1219164 2.0656432 0.0480568 -0.0287628 0.4215682 1.8256408 14 Zn 2.1297344 0.0729374 -0.0615600 0.1219164 2.0656432 -0.0480568 -0.0287628 -0.4215682 1.8256408 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (zzz) 0.00000003 (zzz) 0.00000003 (zzz) 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 ... [ 10 8 10 ] 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: 0.74, Number of G-points: 311, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 8.058 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.073 ( 0.000 0.000 0.000) 0.000 9.269 ( 0.000 0.000 0.000) 0.000 9.304 ( 0.000 0.000 0.000) 0.000 10.451 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.624 ( 0.000 0.000 0.000) 0.000 11.878 ( 0.000 0.000 0.000) 0.000 11.985 ( 0.000 0.000 0.000) 0.000 13.860 ( 0.000 0.000 0.000) 0.000 15.440 ( 0.000 0.000 0.000) 0.000 16.566 ( 0.000 0.000 0.000) 0.000 17.474 ( 0.000 0.000 0.000) 0.000 18.260 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/260) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 24.987 0.000 12.435) 27.910 0.556 ( 19.888 0.000 22.544) 30.063 1.142 ( 53.019 0.000 22.671) 57.663 2.314 ( 1.119 0.000 2.574) 2.807 2.567 ( 4.771 0.000 6.897) 8.386 2.799 ( -1.686 0.000 7.547) 7.733 3.141 ( 12.142 0.000 -31.596) 33.848 3.239 ( 19.564 0.000 5.473) 20.315 3.960 ( -13.461 0.000 -0.022) 13.461 4.176 ( -0.077 0.000 -1.450) 1.452 4.499 ( -9.016 0.000 0.732) 9.046 4.544 ( -7.987 0.000 -5.796) 9.868 4.826 ( 9.572 0.000 -4.512) 10.582 5.173 ( 2.214 0.000 -0.017) 2.214 5.460 ( -1.807 0.000 1.480) 2.335 5.551 ( 4.955 0.000 -6.253) 7.978 5.746 ( 0.205 0.000 4.907) 4.911 6.200 ( 1.219 0.000 5.726) 5.854 6.214 ( -4.804 0.000 5.496) 7.300 6.828 ( 0.789 0.000 -8.926) 8.961 7.279 ( -2.627 0.000 -6.697) 7.194 7.473 ( -9.086 0.000 -6.342) 11.080 7.594 ( 0.531 0.000 -12.699) 12.710 7.805 ( 0.157 0.000 -3.529) 3.532 8.200 ( 2.924 0.000 14.646) 14.935 8.562 ( 2.206 0.000 -5.245) 5.690 8.833 ( -13.680 0.000 -6.228) 15.031 9.077 ( -0.532 0.000 1.380) 1.479 9.281 ( 0.518 0.000 2.349) 2.405 9.291 ( -5.035 0.000 14.975) 15.799 9.884 ( -23.799 0.000 53.272) 58.347 10.419 ( -2.538 0.000 -2.824) 3.797 10.531 ( 6.029 0.000 4.610) 7.589 11.911 ( 3.549 0.000 0.062) 3.550 12.017 ( 4.200 0.000 -1.003) 4.318 12.049 ( 43.650 0.000 -78.326) 89.667 13.878 ( 1.013 0.000 2.066) 2.301 16.411 ( -23.883 0.000 45.369) 51.271 16.568 ( 0.776 0.000 -0.993) 1.261 17.295 ( -15.818 0.000 -4.810) 16.533 18.370 ( 9.519 0.000 1.687) 9.667 19.387 ( 13.582 0.000 -23.027) 26.734 ======================= Grid point 2 (3/260) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 23.002 0.000 11.488) 25.711 1.093 ( 19.075 0.000 20.699) 28.148 2.207 ( 43.836 0.000 21.690) 48.909 2.401 ( 3.040 0.000 9.195) 9.685 2.741 ( 6.578 0.000 7.242) 9.784 2.915 ( 4.462 0.000 7.830) 9.012 3.064 ( 9.321 0.000 -18.484) 20.701 3.577 ( 9.790 0.000 4.777) 10.893 3.735 ( -11.605 0.000 0.178) 11.606 4.187 ( 3.843 0.000 -1.210) 4.029 4.327 ( -14.299 0.000 5.143) 15.196 4.390 ( -1.909 0.000 -3.075) 3.620 4.877 ( 6.520 0.000 -12.874) 14.431 5.100 ( -5.577 0.000 -7.737) 9.538 5.496 ( 1.113 0.000 5.324) 5.439 5.600 ( 5.569 0.000 -6.530) 8.582 5.788 ( -5.161 0.000 14.580) 15.467 6.189 ( -5.707 0.000 10.415) 11.876 6.314 ( 4.019 0.000 8.285) 9.209 6.727 ( -3.376 0.000 -8.209) 8.876 7.128 ( -4.084 0.000 -12.811) 13.447 7.177 ( -13.752 0.000 -12.852) 18.823 7.469 ( 0.079 0.000 -13.922) 13.922 7.818 ( 3.832 0.000 -2.908) 4.811 8.346 ( -2.457 0.000 14.390) 14.598 8.461 ( -10.777 0.000 -6.421) 12.545 8.619 ( -1.779 0.000 -4.103) 4.472 9.072 ( -2.102 0.000 2.543) 3.299 9.296 ( -6.369 0.000 9.366) 11.326 9.346 ( 3.975 0.000 3.775) 5.482 9.979 ( -5.177 0.000 19.832) 20.497 10.325 ( -3.791 0.000 -4.940) 6.227 10.706 ( 7.733 0.000 5.794) 9.663 11.991 ( 2.421 0.000 5.488) 5.999 12.088 ( 21.249 0.000 -34.622) 40.623 12.108 ( 10.472 0.000 -7.036) 12.616 13.939 ( 2.873 0.000 4.377) 5.236 16.421 ( -11.274 0.000 22.376) 25.056 16.573 ( 1.321 0.000 -1.950) 2.355 16.909 ( -21.380 0.000 -7.179) 22.553 18.557 ( 9.615 0.000 1.391) 9.715 19.416 ( 7.514 0.000 -10.182) 12.655 ======================= Grid point 3 (4/260) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 17.968 0.000 9.280) 20.223 1.579 ( 16.266 0.000 17.162) 23.645 2.576 ( 4.919 0.000 11.644) 12.640 2.611 ( -1.300 0.000 -1.166) 1.747 3.041 ( 3.348 0.000 4.922) 5.952 3.114 ( 12.840 0.000 6.356) 14.327 3.357 ( 38.519 0.000 7.355) 39.215 3.573 ( -5.391 0.000 -1.890) 5.713 3.585 ( -8.582 0.000 0.877) 8.627 4.122 ( -14.412 0.000 7.283) 16.148 4.316 ( 11.237 0.000 -1.471) 11.332 4.416 ( 0.724 0.000 0.061) 0.726 4.856 ( 4.957 0.000 -11.385) 12.418 4.946 ( -0.364 0.000 -6.624) 6.633 5.546 ( -1.348 0.000 5.717) 5.874 5.573 ( -1.236 0.000 -6.854) 6.965 5.843 ( -6.957 0.000 17.272) 18.621 6.240 ( -0.500 0.000 12.710) 12.719 6.433 ( 1.256 0.000 -0.900) 1.545 6.528 ( -13.710 0.000 -3.119) 14.060 6.879 ( -1.778 0.000 -12.089) 12.219 6.917 ( -5.548 0.000 -13.927) 14.992 7.342 ( -0.569 0.000 -13.184) 13.196 7.871 ( 6.307 0.000 -4.626) 7.821 8.191 ( -11.454 0.000 -7.123) 13.488 8.364 ( -9.910 0.000 12.765) 16.161 8.589 ( 0.202 0.000 -2.363) 2.372 9.061 ( -1.420 0.000 2.191) 2.611 9.269 ( -4.374 0.000 5.401) 6.950 9.477 ( 6.235 0.000 4.469) 7.672 10.057 ( -1.288 0.000 8.977) 9.069 10.207 ( -4.040 0.000 -5.637) 6.935 10.879 ( 6.185 0.000 4.724) 7.783 12.081 ( -0.157 0.000 9.223) 9.225 12.136 ( 12.262 0.000 -18.036) 21.809 12.236 ( 13.441 0.000 -10.952) 17.338 14.064 ( 5.892 0.000 6.383) 8.687 16.434 ( -6.502 0.000 13.645) 15.115 16.458 ( -21.953 0.000 -8.091) 23.397 16.576 ( 1.443 0.000 -2.513) 2.898 18.712 ( 6.968 0.000 0.791) 7.012 19.453 ( 4.926 0.000 -5.282) 7.222 ======================= Grid point 4 (5/260) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 9.357 0.000 5.728) 10.971 1.923 ( 7.829 0.000 9.379) 12.217 2.614 ( 5.814 0.000 -0.698) 5.856 2.722 ( 3.525 0.000 2.467) 4.303 3.135 ( -0.643 0.000 6.360) 6.392 3.192 ( -7.612 0.000 1.411) 7.741 3.483 ( -1.731 0.000 7.224) 7.428 3.538 ( 9.455 0.000 -6.488) 11.467 3.816 ( -8.337 0.000 8.604) 11.981 4.195 ( -8.677 0.000 -18.308) 20.260 4.306 ( 33.026 0.000 12.364) 35.265 4.589 ( 8.755 0.000 11.387) 14.364 4.857 ( 4.208 0.000 -4.873) 6.438 4.963 ( 3.590 0.000 -5.335) 6.430 5.446 ( -8.178 0.000 -4.539) 9.353 5.589 ( 0.293 0.000 6.901) 6.907 5.760 ( -17.359 0.000 3.996) 17.813 6.199 ( -9.856 0.000 0.282) 9.860 6.380 ( 3.756 0.000 8.392) 9.194 6.433 ( 1.162 0.000 -9.872) 9.941 6.708 ( -5.626 0.000 -7.988) 9.770 6.906 ( 5.257 0.000 2.203) 5.700 7.208 ( -1.543 0.000 -11.041) 11.148 7.952 ( 8.815 0.000 -6.010) 10.669 7.962 ( -7.716 0.000 -5.483) 9.465 8.262 ( -13.218 0.000 10.279) 16.744 8.573 ( -0.078 0.000 -1.249) 1.252 9.064 ( -0.235 0.000 1.088) 1.113 9.250 ( -2.014 0.000 2.431) 3.157 9.619 ( 5.118 0.000 3.749) 6.344 10.093 ( -3.358 0.000 -4.421) 5.551 10.100 ( -0.352 0.000 3.580) 3.597 10.996 ( 3.293 0.000 2.587) 4.188 12.147 ( -0.645 0.000 6.325) 6.358 12.173 ( 5.829 0.000 -7.993) 9.893 12.348 ( 8.879 0.000 -7.550) 11.655 14.243 ( 7.156 0.000 5.870) 9.255 16.047 ( -16.267 0.000 -6.466) 17.505 16.447 ( -3.206 0.000 7.061) 7.754 16.576 ( 0.994 0.000 -1.966) 2.204 18.808 ( 3.594 0.000 0.329) 3.609 19.484 ( 2.556 0.000 -2.322) 3.454 ======================= Grid point 5 (6/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.729 ( -0.000 0.000 0.000) 0.000 2.761 ( -0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 -0.000) 0.000 3.619 ( -0.000 0.000 -0.000) 0.000 3.649 ( -0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 -0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.086 ( -0.000 0.000 -0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 -0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 8.031 ( -0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 -0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 9.068 ( 0.000 0.000 0.000) 0.000 9.244 ( 0.000 0.000 -0.000) 0.000 9.689 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 -0.000) 0.000 12.172 ( 0.000 0.000 0.000) 0.000 12.186 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 -0.000) 0.000 14.349 ( 0.000 0.000 0.000) 0.000 15.858 ( 0.000 0.000 0.000) 0.000 16.452 ( 0.000 0.000 -0.000) 0.000 16.576 ( -0.000 0.000 0.000) 0.000 18.841 ( 0.000 0.000 0.000) 0.000 19.496 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/260) ======================= q-point: ( 0.00 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 0.000 25.227 0.000) 25.227 0.649 ( 0.000 29.026 0.000) 29.026 1.049 ( 0.000 48.831 0.000) 48.831 1.608 ( 0.000 12.652 0.000) 12.652 2.318 ( 0.000 -11.922 0.000) 11.922 2.699 ( 0.000 4.571 0.000) 4.571 2.841 ( 0.000 -2.117 0.000) 2.117 2.997 ( 0.000 0.781 0.000) 0.781 3.835 ( 0.000 -20.624 0.000) 20.624 4.256 ( 0.000 7.879 0.000) 7.879 4.413 ( 0.000 -15.931 0.000) 15.931 4.709 ( 0.000 -2.862 0.000) 2.862 4.828 ( 0.000 5.230 0.000) 5.230 5.083 ( 0.000 2.945 0.000) 2.945 5.487 ( 0.000 0.396 0.000) 0.396 5.598 ( 0.000 3.478 0.000) 3.478 5.619 ( 0.000 1.272 0.000) 1.272 6.058 ( 0.000 -8.671 0.000) 8.671 6.154 ( 0.000 -4.970 0.000) 4.970 6.822 ( 0.000 8.532 0.000) 8.532 7.234 ( 0.000 -9.729 0.000) 9.729 7.453 ( 0.000 -4.584 0.000) 4.584 7.908 ( 0.000 14.201 0.000) 14.201 7.980 ( 0.000 -4.716 0.000) 4.716 8.043 ( 0.000 0.013 0.000) 0.013 8.623 ( 0.000 5.128 0.000) 5.128 8.934 ( 0.000 1.853 0.000) 1.853 9.052 ( 0.000 0.375 0.000) 0.375 9.191 ( 0.000 -0.503 0.000) 0.503 9.306 ( 0.000 0.239 0.000) 0.239 10.277 ( 0.000 -0.192 0.000) 0.192 10.416 ( 0.000 -3.326 0.000) 3.326 10.466 ( 0.000 1.480 0.000) 1.480 10.644 ( 0.000 1.551 0.000) 1.551 11.882 ( 0.000 -0.924 0.000) 0.924 11.959 ( 0.000 -2.365 0.000) 2.365 15.483 ( 0.000 3.879 0.000) 3.879 16.428 ( 0.000 -6.269 0.000) 6.269 16.671 ( 0.000 6.706 0.000) 6.706 17.463 ( 0.000 -1.141 0.000) 1.141 18.341 ( 0.000 2.421 0.000) 2.421 18.500 ( 0.000 0.518 0.000) 0.518 ======================= Grid point 12 (8/260) ======================= q-point: ( 0.10 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 14.635 19.160 -0.199) 24.110 0.779 ( 14.828 16.660 15.677) 27.262 1.627 ( 37.000 32.959 18.525) 52.901 2.023 ( 14.879 -14.250 1.645) 20.668 2.491 ( 9.909 -9.917 10.953) 17.790 2.720 ( 0.877 -1.832 3.769) 4.282 3.017 ( 18.164 -1.379 1.410) 18.271 3.229 ( 18.338 -1.478 3.274) 18.687 3.809 ( -4.540 -17.140 2.059) 17.850 3.942 ( -15.349 -5.344 -9.055) 18.605 4.489 ( -6.656 -4.461 -8.311) 11.544 4.625 ( 4.228 -2.257 2.279) 5.307 4.873 ( -3.430 11.159 1.571) 11.779 5.161 ( 5.165 -2.994 6.930) 9.147 5.442 ( -2.192 -0.118 -5.172) 5.619 5.565 ( 2.722 0.543 -6.279) 6.865 5.709 ( 0.803 -0.545 7.342) 7.406 6.078 ( -0.151 -9.286 5.951) 11.030 6.189 ( 1.003 -2.268 3.781) 4.522 6.849 ( 3.145 5.223 -5.047) 7.915 7.196 ( -3.121 -9.510 -2.832) 10.402 7.353 ( -5.238 -4.292 -10.319) 12.342 7.739 ( -5.286 6.669 -12.047) 14.750 7.951 ( -3.268 6.479 -5.540) 9.130 8.160 ( 4.228 -0.541 11.860) 12.603 8.615 ( -0.163 3.557 -1.541) 3.880 8.857 ( -13.439 2.366 -4.760) 14.452 8.991 ( -0.033 -2.538 6.711) 7.175 9.187 ( -1.507 -1.781 6.210) 6.634 9.386 ( 3.190 1.329 -0.677) 3.522 10.046 ( -21.199 8.340 28.835) 36.748 10.379 ( -2.549 -3.365 -3.251) 5.328 10.561 ( 6.731 2.562 4.522) 8.504 11.255 ( 49.676 -25.730 -22.454) 60.282 11.913 ( 3.635 -1.167 -0.014) 3.818 11.988 ( 3.412 -2.704 -0.130) 4.355 14.853 ( -25.769 35.935 -31.800) 54.467 16.406 ( -6.110 -5.144 7.456) 10.926 16.588 ( -14.100 5.899 20.997) 25.971 17.309 ( -14.659 0.653 -2.340) 14.859 18.404 ( 8.726 2.856 1.077) 9.244 18.991 ( 28.582 -18.400 -3.932) 34.219 ======================= Grid point 13 (9/260) ======================= q-point: ( 0.20 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 24.623 3.509 10.414) 26.964 1.222 ( 17.070 9.573 17.303) 26.123 2.200 ( 6.810 -12.498 4.275) 14.861 2.454 ( 35.617 18.855 17.937) 44.111 2.732 ( 7.088 -1.509 9.478) 11.931 2.834 ( 4.290 -4.693 8.615) 10.707 3.267 ( 15.693 10.972 -8.348) 20.889 3.512 ( -2.546 -6.121 2.046) 6.938 3.633 ( -0.498 -3.974 0.671) 4.061 3.838 ( -0.667 -20.003 6.325) 20.990 4.312 ( 0.862 -4.287 -10.105) 11.011 4.638 ( -8.601 10.850 5.861) 15.035 4.788 ( -2.108 0.544 -6.251) 6.619 5.245 ( 1.826 7.802 -8.874) 11.957 5.387 ( -1.231 -9.282 5.327) 10.773 5.607 ( 4.944 -0.774 0.443) 5.024 5.726 ( -4.854 -2.108 4.913) 7.222 6.182 ( 3.616 -8.984 9.503) 13.568 6.246 ( 0.166 1.099 6.773) 6.863 6.794 ( -3.321 5.735 -7.251) 9.824 7.052 ( -10.408 -9.772 -5.547) 15.316 7.127 ( -4.701 -0.786 -15.541) 16.256 7.532 ( -3.311 4.432 -15.245) 16.218 7.889 ( 0.613 4.737 -3.516) 5.931 8.275 ( -2.230 -2.489 6.898) 7.665 8.563 ( -9.758 5.678 -1.212) 11.355 8.615 ( -3.582 -0.067 -2.415) 4.320 9.021 ( -2.428 -3.498 4.071) 5.891 9.263 ( 0.821 -1.145 9.899) 9.999 9.390 ( -0.102 2.224 -0.569) 2.298 10.045 ( -5.550 4.773 15.624) 17.254 10.286 ( -3.632 -3.359 -4.612) 6.763 10.747 ( 8.521 3.768 5.619) 10.880 11.719 ( 26.902 -20.196 -17.345) 37.848 12.002 ( 4.352 -1.864 4.000) 6.198 12.074 ( 9.120 -3.568 -4.661) 10.845 14.362 ( -10.141 27.583 -10.974) 31.370 16.334 ( -4.993 -10.605 -4.606) 12.594 16.566 ( -10.387 4.500 18.919) 22.047 17.003 ( -15.777 5.673 -3.001) 17.032 18.579 ( 9.464 2.043 0.901) 9.724 19.275 ( 12.657 -10.510 -5.505) 17.348 ======================= Grid point 14 (10/260) ======================= q-point: ( 0.30 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 21.713 2.873 9.984) 24.071 1.646 ( 14.314 5.945 16.077) 22.332 2.378 ( 8.026 -12.002 5.935) 15.611 2.768 ( -1.637 11.577 1.762) 11.824 2.979 ( 2.781 -4.603 8.640) 10.177 3.136 ( 17.960 0.481 6.967) 19.270 3.341 ( -9.198 -9.954 1.100) 13.597 3.559 ( 12.329 5.579 -2.534) 13.768 3.650 ( 10.272 3.760 3.319) 11.431 3.943 ( -0.095 -9.381 12.109) 15.318 4.381 ( 12.031 0.097 -9.844) 15.545 4.524 ( -7.468 8.415 4.946) 12.290 4.698 ( 0.190 -2.974 -3.590) 4.666 5.156 ( 0.658 10.273 -11.089) 15.131 5.433 ( -0.340 -10.743 5.301) 11.985 5.621 ( -4.068 2.817 -2.813) 5.692 5.734 ( -2.886 -4.820 13.845) 14.942 6.313 ( 0.117 -2.154 4.358) 4.862 6.345 ( 5.307 -4.670 6.987) 9.939 6.552 ( -16.137 3.683 -8.278) 18.507 6.839 ( -2.966 -2.370 -7.851) 8.721 6.927 ( -5.174 -0.109 -9.415) 10.744 7.357 ( -0.266 1.869 -16.445) 16.553 7.893 ( 3.507 1.227 -3.765) 5.290 8.185 ( -8.014 0.139 -4.534) 9.209 8.388 ( -12.087 2.254 7.866) 14.596 8.598 ( 0.486 0.482 -0.822) 1.069 9.004 ( -2.612 -4.517 2.795) 5.919 9.296 ( -3.616 1.972 3.277) 5.264 9.472 ( 6.473 -0.028 4.789) 8.052 10.078 ( -2.761 0.112 3.817) 4.712 10.193 ( -2.468 0.074 -1.454) 2.866 10.933 ( 6.916 5.021 4.739) 9.772 11.919 ( 11.473 -11.321 -8.048) 18.016 12.124 ( 4.200 -1.795 5.328) 7.018 12.204 ( 13.014 -3.875 -9.838) 16.768 14.226 ( -1.014 13.016 -0.550) 13.067 16.112 ( -12.086 -17.265 -10.957) 23.753 16.573 ( -8.793 5.680 18.225) 21.017 16.775 ( -5.919 10.411 -4.972) 12.968 18.728 ( 6.897 1.595 0.440) 7.093 19.391 ( 6.640 -5.357 -3.850) 9.360 ======================= Grid point 15 (11/260) ======================= q-point: ( 0.40 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 10.323 5.101 6.606) 13.275 2.032 ( 12.861 8.535 11.049) 18.982 2.543 ( 5.591 -12.894 2.733) 14.317 2.727 ( -0.344 9.182 -2.192) 9.447 3.047 ( -4.402 -6.677 3.705) 8.814 3.236 ( -8.156 1.598 0.200) 8.314 3.297 ( 5.287 -8.248 4.392) 10.736 3.549 ( 4.257 -5.733 -1.283) 7.255 3.908 ( -5.069 9.293 7.416) 12.925 4.168 ( 1.445 -4.312 -0.742) 4.608 4.357 ( 16.868 3.903 -3.897) 17.747 4.644 ( 11.802 5.284 6.834) 14.626 4.812 ( 9.991 -2.037 2.360) 10.466 5.059 ( -2.657 6.477 -6.512) 9.562 5.441 ( -3.790 -5.030 -2.499) 6.776 5.534 ( -4.479 -3.062 5.180) 7.501 5.749 ( -10.389 1.482 8.056) 13.230 6.128 ( -10.955 -3.195 -8.053) 13.967 6.377 ( 0.756 -2.353 -3.909) 4.625 6.480 ( 3.823 2.871 2.377) 5.339 6.707 ( -4.010 -1.777 -7.044) 8.298 6.898 ( 0.904 0.194 10.072) 10.114 7.204 ( 0.033 0.732 -16.860) 16.876 7.934 ( 4.689 -2.233 -3.613) 6.326 8.004 ( -5.434 3.949 -5.780) 8.862 8.259 ( -11.353 0.378 7.859) 13.812 8.598 ( -0.036 1.592 -0.241) 1.610 8.992 ( -1.051 -6.011 1.441) 6.270 9.261 ( -2.162 1.483 0.902) 2.773 9.626 ( 5.488 0.391 4.475) 7.092 10.009 ( -3.563 -4.912 -3.402) 6.957 10.187 ( -0.266 4.741 2.114) 5.198 11.060 ( 3.706 6.025 2.665) 7.559 12.002 ( 4.181 -8.326 -2.309) 9.598 12.225 ( 1.970 0.190 4.197) 4.640 12.316 ( 9.367 -3.378 -8.521) 13.105 14.273 ( 3.520 2.972 3.161) 5.587 15.787 ( -12.596 -17.672 -8.407) 23.273 16.596 ( -6.722 6.749 15.737) 18.395 16.679 ( 1.300 9.870 -9.102) 13.489 18.821 ( 3.554 1.312 0.144) 3.791 19.447 ( 3.104 -3.365 -1.896) 4.955 ======================= Grid point 16 (12/260) ======================= q-point: (-0.50 0.12 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.000 7.113 -0.000) 7.113 2.183 ( 0.000 12.539 0.000) 12.539 2.636 ( 0.000 -8.637 0.000) 8.637 2.720 ( -0.000 -0.545 -0.000) 0.545 2.986 ( 0.000 -12.249 -0.000) 12.249 3.113 ( 0.000 3.378 0.000) 3.378 3.502 ( -0.000 -9.653 -0.000) 9.653 3.509 ( 0.000 -0.253 0.000) 0.253 3.946 ( -0.000 11.067 -0.000) 11.067 3.988 ( 0.000 2.621 0.000) 2.621 4.638 ( 0.000 -8.315 0.000) 8.315 4.794 ( 0.000 1.694 0.000) 1.694 4.927 ( 0.000 -1.283 0.000) 1.283 5.163 ( 0.000 6.248 0.000) 6.248 5.218 ( -0.000 7.367 -0.000) 7.367 5.488 ( 0.000 -6.208 0.000) 6.208 5.653 ( 0.000 3.052 0.000) 3.052 6.033 ( 0.000 -6.077 -0.000) 6.077 6.363 ( 0.000 -1.735 0.000) 1.735 6.503 ( -0.000 2.782 -0.000) 2.782 6.654 ( 0.000 -1.747 0.000) 1.747 7.030 ( 0.000 6.882 -0.000) 6.882 7.059 ( 0.000 -6.550 0.000) 6.550 7.910 ( 0.000 3.562 0.000) 3.562 7.985 ( -0.000 -3.231 0.000) 3.231 8.180 ( 0.000 1.838 -0.000) 1.838 8.596 ( 0.000 2.017 0.000) 2.017 8.991 ( 0.000 -6.668 0.000) 6.668 9.245 ( 0.000 1.115 -0.000) 1.115 9.707 ( 0.000 1.174 0.000) 1.174 9.949 ( 0.000 -6.067 0.000) 6.067 10.195 ( 0.000 5.233 0.000) 5.233 11.105 ( 0.000 6.397 -0.000) 6.397 12.027 ( 0.000 -7.747 0.000) 7.747 12.262 ( 0.000 1.351 0.000) 1.351 12.359 ( 0.000 -3.264 -0.000) 3.264 14.334 ( 0.000 -0.777 0.000) 0.777 15.620 ( 0.000 -17.108 0.000) 17.108 16.627 ( 0.000 4.461 -0.000) 4.461 16.634 ( -0.000 11.917 0.000) 11.917 18.853 ( 0.000 1.210 0.000) 1.210 19.465 ( 0.000 -2.863 0.000) 2.863 ======================= Grid point 22 (13/260) ======================= q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 24.017 0.000) 24.017 1.200 ( 0.000 22.382 0.000) 22.382 1.957 ( 0.000 8.210 0.000) 8.210 1.960 ( 0.000 19.183 0.000) 19.183 2.133 ( 0.000 23.004 0.000) 23.004 2.763 ( 0.000 0.938 0.000) 0.938 2.792 ( 0.000 -1.671 0.000) 1.671 3.011 ( 0.000 0.030 0.000) 0.030 3.369 ( 0.000 -21.812 0.000) 21.812 4.057 ( 0.000 -15.897 0.000) 15.897 4.453 ( 0.000 7.503 0.000) 7.503 4.560 ( 0.000 -11.054 0.000) 11.054 4.672 ( 0.000 -11.206 0.000) 11.206 5.365 ( 0.000 17.030 0.000) 17.030 5.496 ( 0.000 0.406 0.000) 0.406 5.637 ( 0.000 0.514 0.000) 0.514 5.665 ( 0.000 2.757 0.000) 2.757 5.878 ( 0.000 -6.706 0.000) 6.706 6.053 ( 0.000 -5.500 0.000) 5.500 6.877 ( 0.000 -14.383 0.000) 14.383 7.035 ( 0.000 2.711 0.000) 2.711 7.386 ( 0.000 -2.616 0.000) 2.616 7.926 ( 0.000 -0.258 0.000) 0.258 8.031 ( 0.000 0.018 0.000) 0.018 8.218 ( 0.000 13.196 0.000) 13.196 8.707 ( 0.000 2.229 0.000) 2.229 8.987 ( 0.000 2.976 0.000) 2.976 9.071 ( 0.000 1.633 0.000) 1.633 9.176 ( 0.000 -0.863 0.000) 0.863 9.312 ( 0.000 0.138 0.000) 0.138 10.267 ( 0.000 -0.816 0.000) 0.816 10.331 ( 0.000 -4.247 0.000) 4.247 10.516 ( 0.000 3.235 0.000) 3.235 10.678 ( 0.000 1.464 0.000) 1.464 11.854 ( 0.000 -1.644 0.000) 1.644 11.895 ( 0.000 -3.375 0.000) 3.375 15.595 ( 0.000 6.419 0.000) 6.419 16.274 ( 0.000 -8.031 0.000) 8.031 16.840 ( 0.000 8.946 0.000) 8.946 17.423 ( 0.000 -2.647 0.000) 2.647 18.404 ( 0.000 3.220 0.000) 3.220 18.513 ( 0.000 0.561 0.000) 0.561 ======================= Grid point 23 (14/260) ======================= q-point: ( 0.10 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 5.169 23.211 -3.662) 24.060 1.206 ( 5.033 23.376 10.264) 26.021 1.907 ( 1.652 -0.266 2.531) 3.034 2.268 ( 16.879 3.687 8.650) 19.322 2.391 ( 18.559 24.669 11.140) 32.820 2.711 ( -0.983 0.675 6.443) 6.552 3.040 ( 15.399 1.884 7.578) 17.265 3.170 ( 13.959 -4.463 3.221) 15.005 3.369 ( -0.179 -20.274 1.605) 20.338 3.868 ( -11.209 -4.662 -8.680) 14.924 4.327 ( -6.463 -10.871 -10.322) 16.325 4.610 ( 6.430 4.486 4.493) 9.036 4.903 ( 9.172 -12.240 12.168) 19.544 5.245 ( -12.698 11.919 1.557) 17.485 5.474 ( -2.464 1.977 -0.496) 3.198 5.561 ( -0.666 0.195 -9.119) 9.146 5.731 ( 3.003 2.534 2.557) 4.688 5.886 ( 0.672 -6.858 1.629) 7.080 6.127 ( 6.049 -4.699 0.999) 7.725 6.863 ( -1.362 -15.944 -1.530) 16.075 7.010 ( -1.229 4.499 -3.135) 5.620 7.305 ( -3.617 -1.437 -9.521) 10.286 7.835 ( -6.719 3.236 -5.211) 9.098 8.000 ( -2.954 -0.551 -0.810) 3.112 8.269 ( 3.406 9.102 1.769) 9.878 8.671 ( -3.726 1.528 -0.410) 4.048 8.918 ( -10.426 2.786 -2.972) 11.194 8.998 ( -3.644 2.093 2.135) 4.714 9.159 ( 0.258 -0.673 4.356) 4.416 9.394 ( 4.168 -0.297 0.085) 4.179 10.160 ( -11.535 2.770 12.377) 17.144 10.291 ( -2.440 -4.483 -4.370) 6.719 10.635 ( 9.007 4.365 4.444) 10.952 10.966 ( 29.170 -6.150 -7.042) 30.632 11.879 ( 2.736 -2.039 0.333) 3.429 11.914 ( 2.289 -3.877 -0.036) 4.502 15.329 ( -14.694 14.669 -21.476) 29.872 16.232 ( -1.843 -9.667 -6.816) 11.971 16.767 ( -14.765 9.485 18.118) 25.224 17.305 ( -12.800 -1.291 1.520) 12.955 18.476 ( 8.338 3.649 0.089) 9.102 18.754 ( 20.234 -6.106 0.236) 21.136 ======================= Grid point 24 (15/260) ======================= q-point: ( 0.20 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 16.954 19.726 3.194) 26.205 1.489 ( 11.230 15.146 14.943) 24.059 2.017 ( 6.198 -4.378 5.556) 9.405 2.622 ( 9.647 -6.084 14.280) 18.276 2.741 ( 12.918 1.496 3.243) 13.403 2.888 ( 8.173 8.822 11.936) 16.945 3.310 ( 8.241 1.957 1.157) 8.548 3.415 ( 1.367 -15.974 5.452) 16.935 3.503 ( 14.574 -3.506 12.891) 19.770 3.656 ( -0.505 6.307 -9.117) 11.097 4.197 ( 4.496 -4.857 -7.992) 10.377 4.723 ( 1.874 3.626 1.573) 4.375 5.000 ( -14.246 11.362 0.153) 18.223 5.105 ( 0.730 -12.303 7.675) 14.519 5.441 ( 0.967 7.383 -7.616) 10.651 5.494 ( -0.694 -9.706 5.095) 10.984 5.767 ( 1.092 5.523 -2.914) 6.339 5.953 ( 3.686 -9.608 4.725) 11.324 6.230 ( 4.768 -4.980 0.029) 6.894 6.780 ( -6.105 -14.443 -3.417) 16.049 6.938 ( -3.377 6.830 -3.292) 8.300 7.117 ( -4.950 0.106 -13.642) 14.513 7.637 ( -6.877 5.308 -10.325) 13.494 7.933 ( -3.147 -1.129 -1.446) 3.643 8.310 ( -0.938 5.607 0.388) 5.698 8.606 ( -2.052 0.157 -0.623) 2.150 8.675 ( -13.797 3.765 -1.167) 14.349 8.959 ( -4.462 -2.354 2.802) 5.771 9.254 ( 3.128 0.147 7.551) 8.175 9.429 ( 1.309 1.349 -0.734) 2.017 10.120 ( -5.513 1.202 5.933) 8.188 10.212 ( -1.684 -2.546 -1.527) 3.413 10.860 ( 10.817 6.634 5.593) 13.867 11.395 ( 26.057 -10.251 -7.049) 28.874 11.949 ( 1.632 -3.283 6.369) 7.348 11.976 ( 7.709 -5.149 -4.922) 10.496 14.865 ( -15.064 19.439 -17.753) 30.331 16.063 ( -7.027 -13.618 -13.984) 20.746 16.715 ( -11.510 8.177 19.396) 23.990 17.088 ( -12.648 2.087 2.361) 13.034 18.639 ( 9.434 3.405 -0.097) 10.030 19.065 ( 15.238 -8.447 -1.308) 17.472 ======================= Grid point 25 (16/260) ======================= q-point: ( 0.30 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 20.532 12.107 6.967) 24.833 1.817 ( 11.160 9.837 15.250) 21.304 2.198 ( 7.861 -4.346 4.628) 10.104 2.802 ( -0.501 -7.279 10.077) 12.442 3.007 ( 3.567 1.139 11.181) 11.791 3.017 ( 7.152 -8.050 -2.399) 11.032 3.355 ( 0.277 10.876 3.311) 11.372 3.423 ( -6.825 -9.262 -3.447) 12.010 3.717 ( 12.578 -4.803 8.190) 15.759 3.919 ( 16.697 7.280 8.291) 20.013 4.365 ( 16.816 0.548 -4.194) 17.340 4.676 ( -5.010 6.567 -2.909) 8.757 4.785 ( -7.908 6.070 -0.143) 9.970 5.154 ( -0.450 -10.345 4.654) 11.353 5.343 ( -2.274 5.532 -7.345) 9.472 5.585 ( -2.807 -6.607 9.038) 11.542 5.756 ( 1.507 6.011 0.170) 6.200 6.060 ( 3.773 -13.074 0.277) 13.610 6.291 ( 3.154 -7.481 0.057) 8.119 6.595 ( -8.545 -2.304 -6.993) 11.279 6.854 ( -5.133 4.583 0.165) 6.883 6.909 ( -4.359 -0.060 -10.837) 11.681 7.441 ( -2.961 5.759 -12.920) 14.452 7.876 ( -1.930 -3.231 -1.166) 3.940 8.241 ( -4.161 5.545 -4.463) 8.245 8.448 ( -12.795 3.032 2.796) 13.443 8.596 ( 0.200 -0.859 0.702) 1.127 8.897 ( -4.786 -5.298 1.674) 7.333 9.335 ( -1.084 1.297 3.708) 4.075 9.490 ( 5.535 1.604 3.108) 6.547 10.026 ( -5.204 -3.233 -3.634) 7.123 10.231 ( 0.765 1.982 3.964) 4.498 11.084 ( 8.884 8.932 5.035) 13.567 11.698 ( 15.671 -8.533 -5.874) 18.786 12.053 ( 2.909 -5.256 7.796) 9.842 12.084 ( 10.187 -6.470 -6.090) 13.518 14.530 ( -9.213 14.535 -9.071) 19.453 15.749 ( -12.620 -16.618 -15.105) 25.760 16.715 ( -7.653 7.112 15.662) 18.827 16.939 ( -6.314 4.964 0.525) 8.049 18.780 ( 6.913 3.225 -0.328) 7.635 19.254 ( 8.793 -6.961 -1.795) 11.358 ======================= Grid point 26 (17/260) ======================= q-point: ( 0.40 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 10.520 6.403 6.863) 14.099 2.234 ( 19.309 9.120 14.549) 25.839 2.315 ( 2.884 -5.833 -0.386) 6.518 2.779 ( -7.120 -5.121 1.710) 8.935 3.009 ( -3.632 -1.255 -4.312) 5.776 3.116 ( -8.086 -6.323 4.454) 11.190 3.305 ( 7.137 6.901 -0.176) 9.929 3.481 ( 6.538 0.879 4.321) 7.886 4.021 ( 8.021 -5.192 11.287) 14.789 4.121 ( -3.293 6.917 4.483) 8.876 4.419 ( 5.033 1.873 -12.580) 13.678 4.768 ( 4.119 2.353 3.588) 5.947 4.773 ( 12.590 -0.342 0.456) 12.603 5.119 ( -4.222 -5.283 -2.525) 7.219 5.293 ( -1.577 -0.085 2.275) 2.769 5.531 ( -5.669 1.731 2.433) 6.407 5.820 ( -1.203 3.584 7.393) 8.304 6.022 ( -2.037 -7.908 -8.963) 12.126 6.347 ( -0.390 -3.231 0.203) 3.261 6.454 ( 1.585 -2.905 -2.621) 4.221 6.691 ( -4.879 1.816 -9.344) 10.696 6.868 ( -1.926 -2.254 6.463) 7.111 7.299 ( -0.613 7.585 -10.925) 13.314 7.847 ( -0.451 -5.695 -0.713) 5.757 8.120 ( -3.551 6.701 -5.134) 9.158 8.296 ( -8.342 2.959 3.745) 9.611 8.608 ( 0.147 -1.074 0.825) 1.363 8.839 ( -2.789 -7.983 0.364) 8.464 9.326 ( -1.517 4.111 1.213) 4.546 9.631 ( 5.932 0.002 4.263) 7.305 9.900 ( -4.932 -4.037 -4.362) 7.723 10.276 ( 0.802 2.985 2.220) 3.806 11.242 ( 4.755 10.643 2.988) 12.034 11.837 ( 5.692 -6.536 -2.283) 8.963 12.173 ( 2.993 -5.067 5.305) 7.923 12.194 ( 8.090 -7.748 -5.347) 12.412 14.377 ( -2.922 6.897 -2.273) 7.828 15.410 ( -11.086 -17.070 -10.304) 22.814 16.731 ( -4.279 6.242 9.791) 12.375 16.868 ( -1.671 6.593 -1.596) 6.986 18.867 ( 3.546 3.070 -0.278) 4.699 19.349 ( 4.015 -5.680 -1.158) 7.052 ======================= Grid point 27 (18/260) ======================= q-point: (-0.50 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -0.000 5.610 -0.000) 5.610 2.304 ( 0.000 -3.968 0.000) 3.968 2.631 ( 0.000 10.308 0.000) 10.308 2.698 ( 0.000 -3.371 0.000) 3.371 2.774 ( -0.000 -1.975 -0.000) 1.975 3.058 ( 0.000 -9.330 -0.000) 9.330 3.452 ( 0.000 6.086 -0.000) 6.086 3.568 ( -0.000 3.793 -0.000) 3.793 4.028 ( 0.000 1.587 -0.000) 1.587 4.129 ( 0.000 6.027 0.000) 6.027 4.479 ( 0.000 -6.053 0.000) 6.053 4.826 ( 0.000 -7.722 -0.000) 7.722 4.865 ( -0.000 4.762 0.000) 4.762 5.136 ( 0.000 -11.913 0.000) 11.913 5.226 ( -0.000 -0.092 -0.000) 0.092 5.527 ( -0.000 8.012 -0.000) 8.012 5.806 ( 0.000 8.780 0.000) 8.780 5.953 ( -0.000 -2.526 0.000) 2.526 6.331 ( 0.000 -1.374 0.000) 1.374 6.490 ( 0.000 -8.749 -0.000) 8.749 6.592 ( -0.000 2.923 -0.000) 2.923 6.892 ( 0.000 -7.195 0.000) 7.195 7.236 ( 0.000 10.437 0.000) 10.437 7.841 ( -0.000 -6.787 0.000) 6.787 8.061 ( 0.000 6.988 0.000) 6.988 8.238 ( 0.000 3.630 0.000) 3.630 8.613 ( 0.000 -0.954 -0.000) 0.954 8.815 ( 0.000 -9.249 0.000) 9.249 9.318 ( 0.000 5.101 -0.000) 5.101 9.744 ( 0.000 3.409 0.000) 3.409 9.796 ( 0.000 -8.129 -0.000) 8.129 10.294 ( 0.000 3.300 0.000) 3.300 11.297 ( 0.000 11.239 -0.000) 11.239 11.873 ( 0.000 -6.149 0.000) 6.149 12.227 ( -0.000 -4.610 0.000) 4.610 12.242 ( 0.000 -7.714 -0.000) 7.714 14.351 ( 0.000 2.987 0.000) 2.987 15.252 ( 0.000 -16.621 0.000) 16.621 16.741 ( 0.000 5.696 -0.000) 5.696 16.847 ( -0.000 7.337 0.000) 7.337 18.896 ( 0.000 3.004 0.000) 3.004 19.377 ( 0.000 -5.266 0.000) 5.266 ======================= Grid point 33 (19/260) ======================= q-point: ( 0.00 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 10.591 0.000) 10.591 1.656 ( 0.000 23.470 0.000) 23.470 1.746 ( 0.000 -10.195 0.000) 10.195 2.366 ( 0.000 17.846 0.000) 17.846 2.630 ( 0.000 -14.870 0.000) 14.870 2.817 ( 0.000 4.719 0.000) 4.719 2.838 ( 0.000 6.591 0.000) 6.591 2.991 ( 0.000 -1.438 0.000) 1.438 3.124 ( 0.000 18.263 0.000) 18.263 3.806 ( 0.000 -6.199 0.000) 6.199 4.220 ( 0.000 -19.260 0.000) 19.260 4.245 ( 0.000 -18.593 0.000) 18.593 4.816 ( 0.000 16.442 0.000) 16.442 5.479 ( 0.000 -4.290 0.000) 4.290 5.642 ( 0.000 0.184 0.000) 0.184 5.659 ( 0.000 7.132 0.000) 7.132 5.715 ( 0.000 -0.008 0.000) 0.008 5.852 ( 0.000 8.930 0.000) 8.930 5.884 ( 0.000 -9.509 0.000) 9.509 6.495 ( 0.000 -17.573 0.000) 17.573 7.138 ( 0.000 4.704 0.000) 4.704 7.320 ( 0.000 -3.740 0.000) 3.740 7.950 ( 0.000 2.015 0.000) 2.015 8.025 ( 0.000 -0.727 0.000) 0.727 8.464 ( 0.000 9.749 0.000) 9.749 8.710 ( 0.000 -1.862 0.000) 1.862 9.051 ( 0.000 2.918 0.000) 2.918 9.130 ( 0.000 3.912 0.000) 3.912 9.151 ( 0.000 -1.498 0.000) 1.498 9.298 ( 0.000 -1.887 0.000) 1.887 10.245 ( 0.000 -1.124 0.000) 1.124 10.255 ( 0.000 -2.561 0.000) 2.561 10.596 ( 0.000 3.932 0.000) 3.932 10.695 ( 0.000 -0.082 0.000) 0.082 11.818 ( 0.000 -1.477 0.000) 1.477 11.830 ( 0.000 -2.412 0.000) 2.412 15.746 ( 0.000 7.657 0.000) 7.657 16.096 ( 0.000 -8.587 0.000) 8.587 17.036 ( 0.000 9.192 0.000) 9.192 17.345 ( 0.000 -4.838 0.000) 4.838 18.467 ( 0.000 2.508 0.000) 2.508 18.519 ( 0.000 -0.055 0.000) 0.055 ======================= Grid point 34 (20/260) ======================= q-point: ( 0.10 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 4.518 11.765 3.627) 13.114 1.678 ( 0.212 15.851 8.644) 18.055 1.834 ( 5.221 -0.103 3.930) 6.535 2.416 ( 2.944 12.394 7.153) 14.610 2.642 ( -2.113 -8.746 5.418) 10.503 2.774 ( 4.647 -5.319 -3.320) 7.804 3.056 ( 5.436 0.410 2.385) 5.950 3.106 ( 12.532 -3.583 7.654) 15.115 3.243 ( 12.048 20.911 7.383) 25.238 3.788 ( -0.506 -1.018 -2.991) 3.199 4.059 ( 0.474 -12.953 -7.491) 14.971 4.525 ( 11.927 -20.435 10.880) 26.043 4.832 ( 1.263 14.059 0.764) 14.137 5.376 ( -12.179 -2.458 2.975) 12.775 5.526 ( -9.535 5.137 -3.241) 11.305 5.620 ( -0.917 3.751 -2.519) 4.610 5.741 ( 1.276 -3.200 1.674) 3.830 5.887 ( 7.024 2.929 -5.416) 9.341 5.961 ( 5.127 -5.162 -1.000) 7.344 6.496 ( 1.129 -16.019 -2.141) 16.201 7.121 ( -1.460 4.663 -1.166) 5.023 7.268 ( -2.719 -2.251 -5.824) 6.810 7.895 ( -6.171 2.463 -0.478) 6.661 7.978 ( -3.761 -1.342 -2.310) 4.613 8.465 ( 0.484 8.504 -0.940) 8.569 8.678 ( -3.612 -1.066 0.175) 3.770 8.965 ( -8.509 1.791 -2.883) 9.161 9.028 ( -7.750 -0.140 -0.766) 7.789 9.184 ( 2.836 3.520 3.517) 5.728 9.368 ( 3.456 -2.462 1.801) 4.609 10.184 ( -5.659 0.010 4.534) 7.251 10.209 ( -2.483 -2.766 -4.082) 5.521 10.738 ( 11.955 4.931 3.680) 13.446 10.889 ( 19.283 -2.431 -0.865) 19.455 11.834 ( 1.573 -1.966 0.385) 2.547 11.840 ( 1.195 -2.743 -0.067) 2.993 15.588 ( -8.901 10.728 -15.591) 20.915 16.020 ( -3.575 -10.135 -10.403) 14.958 16.966 ( -12.585 8.967 12.296) 19.748 17.250 ( -11.977 -3.939 4.980) 13.556 18.550 ( 9.026 3.225 -0.466) 9.596 18.667 ( 14.060 -2.885 0.088) 14.354 ======================= Grid point 35 (21/260) ======================= q-point: ( 0.20 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 12.591 14.176 6.485) 20.038 1.841 ( 5.749 15.663 13.014) 21.160 1.968 ( 4.963 0.272 7.773) 9.226 2.542 ( -1.092 -3.552 11.741) 12.315 2.751 ( 7.901 -3.274 9.676) 12.914 2.833 ( 5.516 -1.469 -4.281) 7.135 3.128 ( 1.981 -9.406 5.377) 11.014 3.359 ( 5.654 -10.081 1.737) 11.688 3.600 ( 15.670 16.641 9.628) 24.802 3.795 ( 6.520 7.179 2.532) 10.023 4.135 ( 13.640 -0.711 -4.501) 14.381 4.776 ( 5.066 -17.078 4.882) 18.470 4.860 ( -0.024 8.006 1.740) 8.193 5.189 ( -10.703 -1.156 5.903) 12.278 5.335 ( -7.519 3.763 -3.794) 9.225 5.576 ( -0.455 5.278 -3.473) 6.334 5.786 ( 2.471 -6.811 0.280) 7.250 5.954 ( 4.790 10.911 -5.624) 13.176 6.000 ( 2.606 -15.115 -2.470) 15.535 6.488 ( 1.170 -12.745 -4.289) 13.498 7.065 ( -4.003 4.760 -0.880) 6.281 7.132 ( -4.259 0.863 -9.811) 10.731 7.741 ( -8.260 4.175 -4.161) 10.147 7.878 ( -5.322 -3.183 -1.426) 6.363 8.453 ( -0.727 6.652 -1.917) 6.961 8.608 ( -3.543 -0.368 -0.538) 3.603 8.741 ( -13.159 3.107 -1.773) 13.636 8.906 ( -7.396 -3.097 0.613) 8.042 9.277 ( 3.102 2.349 4.677) 6.084 9.429 ( 2.335 -1.867 1.587) 3.384 10.110 ( -3.698 -0.179 -3.213) 4.902 10.184 ( 0.086 -1.359 3.068) 3.356 11.013 ( 14.362 7.220 4.756) 16.764 11.246 ( 21.782 -4.830 -1.630) 22.370 11.867 ( 0.945 -3.625 2.325) 4.409 11.881 ( 4.038 -3.637 -0.950) 5.517 15.216 ( -13.875 14.421 -18.553) 27.289 15.777 ( -9.504 -13.168 -17.008) 23.515 16.885 ( -11.215 7.407 15.246) 20.324 17.091 ( -11.647 -1.751 6.958) 13.680 18.719 ( 10.119 4.055 -0.772) 10.929 18.918 ( 13.747 -5.761 -0.515) 14.914 ======================= Grid point 36 (22/260) ======================= q-point: ( 0.30 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 9.337 11.569 5.018) 15.691 2.057 ( 7.401 11.502 13.351) 19.113 2.177 ( 10.223 2.244 7.244) 12.729 2.640 ( 0.668 -10.238 13.760) 17.164 2.810 ( -1.610 -2.558 -1.948) 3.596 3.076 ( 13.935 3.364 10.701) 17.889 3.209 ( -1.825 -10.229 -0.364) 10.397 3.387 ( 5.347 -9.171 2.719) 10.958 3.854 ( 5.234 14.983 5.656) 16.849 4.056 ( 12.420 6.671 8.846) 16.644 4.394 ( 18.250 0.671 -2.904) 18.492 4.693 ( -10.132 -6.897 -5.076) 13.266 4.837 ( -4.288 3.680 0.890) 5.720 5.198 ( 1.281 6.774 4.604) 8.290 5.225 ( -2.571 -9.864 -1.385) 10.288 5.576 ( 2.170 6.737 2.224) 7.420 5.799 ( 0.160 -11.519 -4.679) 12.434 5.914 ( -1.829 4.251 -1.745) 4.946 6.081 ( 7.312 -7.244 -0.364) 10.299 6.449 ( -0.031 -10.093 -6.838) 12.191 6.948 ( -5.679 3.938 -8.832) 11.214 6.980 ( -5.033 4.358 -2.118) 6.987 7.571 ( -5.547 5.829 -5.476) 9.733 7.781 ( -4.703 -4.976 -0.435) 6.861 8.393 ( -2.964 7.605 -4.219) 9.188 8.510 ( -11.212 2.886 -0.415) 11.585 8.566 ( -2.082 -1.501 1.011) 2.759 8.778 ( -7.463 -6.155 -0.103) 9.674 9.358 ( 1.257 1.549 3.997) 4.467 9.496 ( 3.463 -2.105 2.569) 4.798 10.017 ( -3.176 3.314 -3.846) 5.988 10.232 ( 1.732 -2.327 2.863) 4.076 11.290 ( 12.096 9.803 4.552) 16.222 11.567 ( 16.922 -4.239 -2.918) 17.688 11.917 ( 3.474 -5.955 0.623) 6.922 11.953 ( 3.446 -6.008 2.255) 7.284 14.828 ( -12.660 13.620 -13.727) 23.113 15.415 ( -13.176 -14.834 -16.531) 25.825 16.856 ( -7.193 5.880 12.242) 15.369 16.991 ( -6.490 0.168 5.005) 8.198 18.864 ( 7.387 4.678 -0.907) 8.791 19.109 ( 9.114 -6.634 -1.007) 11.318 ======================= Grid point 37 (23/260) ======================= q-point: ( 0.40 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 4.542 3.847 4.581) 7.512 2.217 ( 1.440 -1.454 3.407) 3.974 2.492 ( 15.457 11.038 10.601) 21.752 2.729 ( -1.648 2.347 -0.780) 2.972 2.817 ( 1.210 -9.930 7.962) 12.785 3.068 ( -7.206 -3.692 -4.488) 9.257 3.421 ( 13.597 3.001 7.753) 15.937 3.544 ( 4.218 0.872 4.244) 6.047 3.982 ( 4.804 4.037 8.452) 10.527 4.231 ( -3.781 1.690 5.611) 6.974 4.454 ( -0.394 1.823 -11.909) 12.054 4.648 ( 4.869 -7.913 -2.875) 9.725 4.804 ( 4.231 1.609 3.035) 5.450 5.102 ( -4.564 1.588 -6.848) 8.381 5.269 ( -2.325 -0.953 3.835) 4.585 5.626 ( -2.023 4.128 4.168) 6.206 5.800 ( 8.255 -7.236 -3.435) 11.502 5.901 ( -0.839 0.870 2.278) 2.579 6.219 ( 5.659 -5.400 3.483) 8.563 6.364 ( -1.495 -7.164 -7.397) 10.406 6.773 ( -4.097 5.596 -8.461) 10.940 6.879 ( -5.130 2.138 -0.592) 5.589 7.463 ( -2.218 7.018 -3.346) 8.085 7.715 ( -2.566 -6.213 0.018) 6.723 8.281 ( -4.565 8.334 -3.729) 10.208 8.372 ( -5.067 4.016 0.916) 6.530 8.554 ( -0.787 -3.635 1.184) 3.903 8.662 ( -4.654 -8.599 -1.289) 9.862 9.397 ( 0.182 2.607 2.289) 3.474 9.580 ( 2.970 -5.177 2.415) 6.439 9.936 ( -2.325 7.938 -2.869) 8.755 10.282 ( 1.309 -3.053 1.643) 3.706 11.489 ( 6.527 12.071 2.862) 14.018 11.750 ( 6.870 -1.377 -1.849) 7.247 12.000 ( 7.887 -9.131 -5.136) 13.113 12.032 ( 0.297 -8.329 7.205) 11.017 14.558 ( -7.133 9.961 -6.651) 13.940 15.075 ( -10.109 -14.441 -10.470) 20.503 16.852 ( -3.608 4.960 6.822) 9.173 16.950 ( -2.402 1.278 2.114) 3.446 18.953 ( 3.756 4.988 -0.622) 6.275 19.215 ( 4.373 -6.661 -0.776) 8.006 ======================= Grid point 38 (24/260) ======================= q-point: (-0.50 0.38 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 -1.199 0.000) 1.199 2.224 ( -0.000 -2.100 -0.000) 2.100 2.682 ( 0.000 2.033 -0.000) 2.033 2.820 ( 0.000 0.602 0.000) 0.602 2.851 ( -0.000 6.382 -0.000) 6.382 2.884 ( 0.000 -0.336 0.000) 0.336 3.588 ( -0.000 4.145 0.000) 4.145 3.623 ( -0.000 1.056 -0.000) 1.056 4.075 ( 0.000 2.649 -0.000) 2.649 4.174 ( 0.000 -2.177 0.000) 2.177 4.418 ( -0.000 0.891 0.000) 0.891 4.622 ( 0.000 -9.533 -0.000) 9.533 4.943 ( -0.000 -4.043 -0.000) 4.043 5.009 ( 0.000 5.551 0.000) 5.551 5.211 ( 0.000 1.960 0.000) 1.960 5.640 ( -0.000 -0.717 -0.000) 0.717 5.885 ( -0.000 -2.891 0.000) 2.891 5.913 ( 0.000 0.991 -0.000) 0.991 6.290 ( 0.000 -2.550 0.000) 2.550 6.304 ( -0.000 -6.349 -0.000) 6.349 6.695 ( 0.000 5.714 -0.000) 5.714 6.820 ( -0.000 -0.141 0.000) 0.141 7.429 ( 0.000 7.511 0.000) 7.511 7.693 ( 0.000 -6.684 -0.000) 6.684 8.219 ( 0.000 7.906 0.000) 7.906 8.333 ( 0.000 5.192 0.000) 5.192 8.556 ( 0.000 -4.116 -0.000) 4.116 8.612 ( 0.000 -9.817 0.000) 9.817 9.409 ( 0.000 3.195 0.000) 3.195 9.622 ( 0.000 -7.769 -0.000) 7.769 9.899 ( 0.000 11.022 0.000) 11.022 10.301 ( 0.000 -3.292 0.000) 3.292 11.559 ( 0.000 12.917 -0.000) 12.917 11.795 ( 0.000 -0.630 0.000) 0.630 12.050 ( 0.000 -9.557 0.000) 9.557 12.075 ( 0.000 -9.399 -0.000) 9.399 14.467 ( 0.000 7.715 0.000) 7.715 14.930 ( -0.000 -13.711 0.000) 13.711 16.853 ( 0.000 4.650 -0.000) 4.650 16.940 ( -0.000 1.650 0.000) 1.650 18.982 ( 0.000 5.072 0.000) 5.072 19.249 ( 0.000 -6.609 0.000) 6.609 ======================= Grid point 44 (25/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 -4.635 0.000) 4.635 1.594 ( 0.000 4.635 0.000) 4.635 2.173 ( 0.000 -24.349 0.000) 24.349 2.173 ( 0.000 24.349 0.000) 24.349 2.685 ( 0.000 -12.050 0.000) 12.050 2.685 ( 0.000 12.050 0.000) 12.050 2.939 ( 0.000 -4.485 0.000) 4.485 2.939 ( 0.000 4.485 0.000) 4.485 3.727 ( 0.000 -22.494 0.000) 22.494 3.727 ( 0.000 22.494 0.000) 22.494 3.885 ( 0.000 -5.971 0.000) 5.971 3.885 ( 0.000 5.971 0.000) 5.971 5.211 ( 0.000 -18.918 0.000) 18.918 5.211 ( 0.000 18.918 0.000) 18.918 5.672 ( 0.000 -2.414 0.000) 2.414 5.672 ( 0.000 2.414 0.000) 2.414 5.746 ( 0.000 -3.694 0.000) 3.694 5.746 ( 0.000 3.694 0.000) 3.694 6.151 ( 0.000 -15.512 0.000) 15.512 6.151 ( 0.000 15.512 0.000) 15.512 7.233 ( 0.000 -4.312 0.000) 4.312 7.233 ( 0.000 4.312 0.000) 4.312 7.996 ( 0.000 -1.987 0.000) 1.987 7.996 ( 0.000 1.987 0.000) 1.987 8.629 ( 0.000 -5.799 0.000) 5.799 8.629 ( 0.000 5.799 0.000) 5.799 9.108 ( 0.000 -2.397 0.000) 2.397 9.108 ( 0.000 2.397 0.000) 2.397 9.227 ( 0.000 -4.482 0.000) 4.482 9.227 ( 0.000 4.482 0.000) 4.482 10.229 ( 0.000 -0.050 0.000) 0.050 10.229 ( 0.000 0.050 0.000) 0.050 10.668 ( 0.000 -2.531 0.000) 2.531 10.668 ( 0.000 2.531 0.000) 2.531 11.802 ( 0.000 -0.171 0.000) 0.171 11.802 ( 0.000 0.171 0.000) 0.171 15.916 ( 0.000 -8.306 0.000) 8.306 15.916 ( 0.000 8.306 0.000) 8.306 17.215 ( 0.000 -7.410 0.000) 7.410 17.215 ( 0.000 7.410 0.000) 7.410 18.507 ( 0.000 -1.208 0.000) 1.208 18.507 ( 0.000 1.208 0.000) 1.208 ======================= Grid point 46 (26/260) ======================= q-point: ( 0.10 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 4.013 -4.590 7.610) 9.751 1.657 ( 4.013 4.590 7.610) 9.751 2.221 ( 1.395 -23.010 4.670) 23.520 2.221 ( 1.395 23.010 4.670) 23.520 2.673 ( -0.138 -9.214 4.069) 10.073 2.673 ( -0.138 9.214 4.069) 10.073 3.056 ( 7.744 -2.616 1.984) 8.411 3.056 ( 7.744 2.616 1.984) 8.411 3.674 ( 2.189 -14.358 -2.901) 14.811 3.674 ( 2.189 14.358 -2.901) 14.811 4.074 ( 12.234 -18.410 6.894) 23.154 4.074 ( 12.234 18.410 6.894) 23.154 5.174 ( -4.634 -15.532 0.391) 16.214 5.174 ( -4.634 15.532 0.391) 16.214 5.643 ( -1.683 -4.836 -5.184) 7.286 5.643 ( -1.683 4.836 -5.184) 7.286 5.716 ( -2.070 -5.451 2.372) 6.295 5.716 ( -2.070 5.451 2.372) 6.295 6.185 ( 4.702 -13.886 -3.449) 15.060 6.185 ( 4.702 13.886 -3.449) 15.060 7.207 ( -1.830 -3.476 -2.176) 4.491 7.207 ( -1.830 3.476 -2.176) 4.491 7.942 ( -5.198 -2.007 -1.299) 5.722 7.942 ( -5.198 2.007 -1.299) 5.722 8.613 ( -1.615 -5.174 -0.509) 5.444 8.613 ( -1.615 5.174 -0.509) 5.444 9.002 ( -8.272 -1.715 -2.003) 8.682 9.002 ( -8.272 1.715 -2.003) 8.682 9.285 ( 2.886 -5.019 2.500) 6.306 9.285 ( 2.886 5.019 2.500) 6.306 10.181 ( -3.195 -0.152 -0.810) 3.300 10.181 ( -3.195 0.152 -0.810) 3.300 10.830 ( 14.936 -3.517 2.113) 15.489 10.830 ( 14.936 3.517 2.113) 15.489 11.810 ( 0.821 -0.013 0.138) 0.832 11.810 ( 0.821 0.013 0.138) 0.832 15.806 ( -5.811 -10.054 -12.718) 17.222 15.806 ( -5.811 10.054 -12.718) 17.222 17.136 ( -11.885 -6.797 8.317) 16.019 17.136 ( -11.885 6.797 8.317) 16.019 18.612 ( 10.766 -2.615 -0.397) 11.086 18.612 ( 10.766 2.615 -0.397) 11.086 ======================= Grid point 48 (27/260) ======================= q-point: ( 0.20 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 10.592 -3.686 11.932) 16.375 1.881 ( 10.592 3.686 11.932) 16.375 2.264 ( -2.693 -18.354 8.236) 20.296 2.264 ( -2.693 18.354 8.236) 20.296 2.813 ( 9.030 -6.555 7.854) 13.645 2.813 ( 9.030 6.555 7.854) 13.645 3.117 ( 0.185 -9.921 -3.002) 10.367 3.117 ( 0.185 9.921 -3.002) 10.367 3.831 ( 13.054 -6.058 5.129) 15.278 3.831 ( 13.054 6.058 5.129) 15.278 4.346 ( 11.738 -20.085 4.152) 23.631 4.346 ( 11.738 20.085 4.152) 23.631 5.059 ( -9.146 -8.413 1.669) 12.539 5.059 ( -9.146 8.413 1.669) 12.539 5.561 ( 0.240 -12.167 -7.548) 14.320 5.561 ( 0.240 12.167 -7.548) 14.320 5.724 ( -0.103 -7.145 2.353) 7.523 5.724 ( -0.103 7.145 2.353) 7.523 6.219 ( 3.717 -12.889 -5.673) 14.565 6.219 ( 3.717 12.889 -5.673) 14.565 7.131 ( -3.568 -1.400 -4.072) 5.593 7.131 ( -3.568 1.400 -4.072) 5.593 7.813 ( -7.387 -2.944 -1.759) 8.144 7.813 ( -7.387 2.944 -1.759) 8.144 8.566 ( -2.355 -3.750 -1.837) 4.794 8.566 ( -2.355 3.750 -1.837) 4.794 8.824 ( -10.614 -4.357 -0.758) 11.499 8.824 ( -10.614 4.357 -0.758) 11.499 9.354 ( 2.401 -4.402 2.739) 5.713 9.354 ( 2.401 4.402 2.739) 5.713 10.139 ( -0.753 -2.418 -0.645) 2.613 10.139 ( -0.753 2.418 -0.645) 2.613 11.147 ( 18.258 -5.241 2.267) 19.130 11.147 ( 18.258 5.241 2.267) 19.130 11.831 ( 1.273 -0.542 0.545) 1.487 11.831 ( 1.273 0.542 0.545) 1.487 15.502 ( -11.748 -12.934 -18.233) 25.253 15.502 ( -11.748 12.934 -18.233) 25.253 17.018 ( -11.312 -4.993 11.102) 16.618 17.018 ( -11.312 4.993 11.102) 16.618 18.810 ( 11.659 -4.576 -0.776) 12.549 18.810 ( 11.659 4.576 -0.776) 12.549 ======================= Grid point 50 (28/260) ======================= q-point: ( 0.30 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 5.075 -2.041 5.507) 7.761 2.138 ( 5.075 2.041 5.507) 7.761 2.369 ( 5.665 -13.059 15.944) 21.374 2.369 ( 5.665 13.059 15.944) 21.374 2.958 ( -0.336 -12.467 -3.344) 12.912 2.958 ( -0.336 12.467 -3.344) 12.912 3.191 ( 11.246 -7.600 8.604) 16.070 3.191 ( 11.246 7.600 8.604) 16.070 4.089 ( 7.100 -6.628 6.320) 11.588 4.089 ( 7.100 6.628 6.320) 11.588 4.508 ( 5.995 -10.918 -2.853) 12.778 4.508 ( 5.995 10.918 -2.853) 12.778 4.942 ( -5.537 -7.856 3.269) 10.152 4.942 ( -5.537 7.856 3.269) 10.152 5.511 ( 1.442 -14.861 -7.794) 16.843 5.511 ( 1.442 14.861 -7.794) 16.843 5.765 ( 1.839 -10.141 4.437) 11.221 5.765 ( 1.839 10.141 4.437) 11.221 6.212 ( 2.356 -11.380 -6.164) 13.155 6.212 ( 2.356 11.380 -6.164) 13.155 7.014 ( -4.820 -1.313 -5.338) 7.311 7.014 ( -4.820 1.313 -5.338) 7.311 7.679 ( -5.991 -4.639 -1.310) 7.689 7.679 ( -5.991 4.639 -1.310) 7.689 8.506 ( -2.223 -2.959 -2.219) 4.315 8.506 ( -2.223 2.959 -2.219) 4.315 8.634 ( -10.277 -7.016 -0.554) 12.456 8.634 ( -10.277 7.016 -0.554) 12.456 9.418 ( 1.920 -4.033 2.865) 5.307 9.418 ( 1.920 4.033 2.865) 5.307 10.135 ( 0.512 -6.226 -0.330) 6.256 10.135 ( 0.512 6.226 -0.330) 6.256 11.469 ( 16.368 -6.331 1.469) 17.612 11.469 ( 16.368 6.331 1.469) 17.612 11.860 ( 0.997 -1.421 1.197) 2.109 11.860 ( 0.997 1.421 1.197) 2.109 15.115 ( -13.418 -13.619 -15.991) 24.925 15.115 ( -13.418 13.619 -15.991) 24.925 16.955 ( -6.855 -3.347 8.758) 11.615 16.955 ( -6.855 3.347 8.758) 11.615 18.976 ( 8.307 -5.815 -1.005) 10.189 18.976 ( 8.307 5.815 -1.005) 10.189 ======================= Grid point 52 (29/260) ======================= q-point: ( 0.40 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.037 -1.430 2.392) 2.787 2.195 ( 0.037 1.430 2.392) 2.787 2.651 ( 6.045 -5.763 12.778) 15.266 2.651 ( 6.045 5.763 12.778) 15.266 2.906 ( 2.088 -10.843 -4.635) 11.976 2.906 ( 2.088 10.843 -4.635) 11.976 3.490 ( 10.128 -3.806 9.199) 14.202 3.490 ( 10.128 3.806 9.199) 14.202 4.139 ( -4.122 -8.488 3.492) 10.061 4.139 ( -4.122 8.488 3.492) 10.061 4.524 ( 1.672 -4.446 -7.726) 9.069 4.524 ( 1.672 4.446 -7.726) 9.069 4.938 ( 0.686 -10.601 3.236) 11.105 4.938 ( 0.686 10.601 3.236) 11.105 5.460 ( -0.517 -13.281 -3.969) 13.871 5.460 ( -0.517 13.281 -3.969) 13.871 5.856 ( 3.003 -5.909 3.112) 7.322 5.856 ( 3.003 5.909 3.112) 7.322 6.214 ( 3.160 -5.116 -2.434) 6.487 6.214 ( 3.160 5.116 -2.434) 6.487 6.877 ( -4.830 -3.013 -5.016) 7.587 6.877 ( -4.830 3.013 -5.016) 7.587 7.593 ( -3.036 -5.538 -0.530) 6.338 7.593 ( -3.036 5.538 -0.530) 6.338 8.448 ( -3.212 -2.263 -1.195) 4.107 8.448 ( -3.212 2.263 -1.195) 4.107 8.487 ( -4.719 -3.986 -0.802) 6.229 8.487 ( -4.719 3.986 -0.802) 6.229 9.467 ( 1.070 -4.501 1.904) 5.003 9.467 ( 1.070 4.501 1.904) 5.003 10.143 ( 0.504 -9.429 -0.094) 9.443 10.143 ( 0.504 9.429 -0.094) 9.443 11.714 ( 10.622 -6.835 0.049) 12.631 11.714 ( 10.622 6.835 0.049) 12.631 11.883 ( -0.047 -2.353 1.762) 2.940 11.883 ( -0.047 2.353 1.762) 2.940 14.794 ( -9.068 -12.142 -9.237) 17.748 14.794 ( -9.068 12.142 -9.237) 17.748 16.934 ( -3.034 -2.520 4.571) 6.037 16.934 ( -3.034 2.520 4.571) 6.037 19.075 ( 4.147 -6.360 -0.720) 7.626 19.075 ( 4.147 6.360 -0.720) 7.626 ======================= Grid point 54 (30/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 -0.070 -0.000) 0.070 2.206 ( 0.000 0.070 0.000) 0.070 2.737 ( 0.000 -3.222 -0.000) 3.222 2.737 ( 0.000 3.222 0.000) 3.222 2.944 ( -0.000 -0.434 0.000) 0.434 2.944 ( -0.000 0.434 -0.000) 0.434 3.625 ( 0.000 -0.439 0.000) 0.439 3.625 ( 0.000 0.439 0.000) 0.439 4.118 ( 0.000 -1.771 0.000) 1.771 4.118 ( 0.000 1.771 -0.000) 1.771 4.475 ( 0.000 -4.200 0.000) 4.200 4.475 ( 0.000 4.200 0.000) 4.200 4.970 ( 0.000 -4.912 0.000) 4.912 4.970 ( 0.000 4.912 0.000) 4.912 5.436 ( 0.000 -14.627 0.000) 14.627 5.436 ( -0.000 14.627 0.000) 14.627 5.893 ( 0.000 -1.899 0.000) 1.899 5.893 ( 0.000 1.899 0.000) 1.899 6.248 ( 0.000 -0.513 0.000) 0.513 6.248 ( 0.000 0.513 0.000) 0.513 6.799 ( 0.000 -3.151 0.000) 3.151 6.799 ( 0.000 3.151 0.000) 3.151 7.564 ( 0.000 -5.716 -0.000) 5.716 7.564 ( 0.000 5.716 0.000) 5.716 8.401 ( 0.000 -8.744 0.000) 8.744 8.401 ( 0.000 8.744 0.000) 8.744 8.453 ( 0.000 -4.766 0.000) 4.766 8.453 ( 0.000 4.766 0.000) 4.766 9.486 ( 0.000 -4.784 0.000) 4.784 9.486 ( 0.000 4.784 0.000) 4.784 10.148 ( 0.000 -10.663 0.000) 10.663 10.148 ( 0.000 10.663 0.000) 10.663 11.812 ( 0.000 -6.812 -0.000) 6.812 11.812 ( 0.000 6.812 0.000) 6.812 11.889 ( 0.000 -1.014 -0.000) 1.014 11.889 ( 0.000 1.014 0.000) 1.014 14.668 ( 0.000 -10.989 0.000) 10.989 14.668 ( 0.000 10.989 0.000) 10.989 16.929 ( 0.000 -2.315 0.000) 2.315 16.929 ( 0.000 2.315 0.000) 2.315 19.107 ( 0.000 -6.501 0.000) 6.501 19.107 ( 0.000 6.501 0.000) 6.501 ======================= Grid point 99 (31/260) ======================= q-point: ( 0.00 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 3.910 0.000 24.980) 25.284 0.518 ( 0.772 0.000 26.465) 26.476 1.043 ( 3.773 0.000 53.281) 53.414 1.609 ( 55.100 0.000 0.511) 55.103 2.304 ( 2.581 0.000 1.149) 2.825 2.585 ( 4.860 0.000 9.230) 10.431 2.936 ( -8.884 0.000 1.637) 9.034 3.012 ( 15.553 0.000 12.530) 19.973 4.050 ( -0.456 0.000 -5.521) 5.540 4.055 ( 4.850 0.000 -12.085) 13.022 4.520 ( -2.560 0.000 -9.192) 9.542 4.665 ( -8.003 0.000 -1.111) 8.080 4.680 ( 4.561 0.000 -2.947) 5.430 5.142 ( 1.286 0.000 0.725) 1.477 5.301 ( 5.936 0.000 -12.530) 13.865 5.483 ( 0.739 0.000 0.843) 1.122 5.890 ( -1.958 0.000 17.124) 17.235 6.184 ( 5.324 0.000 1.796) 5.619 6.233 ( 6.319 0.000 0.429) 6.334 6.751 ( -4.292 0.000 3.353) 5.446 7.279 ( -5.238 0.000 -7.297) 8.982 7.539 ( -5.708 0.000 -7.841) 9.699 7.603 ( -7.229 0.000 1.763) 7.441 7.766 ( -0.020 0.000 -5.030) 5.030 8.234 ( 6.528 0.000 10.736) 12.565 8.583 ( -5.969 0.000 -0.636) 6.003 9.003 ( -9.640 0.000 -4.304) 10.558 9.070 ( 1.581 0.000 -0.228) 1.598 9.263 ( 3.376 0.000 -0.531) 3.418 9.292 ( 3.152 0.000 -0.081) 3.153 10.075 ( 55.744 0.000 -4.010) 55.888 10.440 ( -2.609 0.000 -1.420) 2.971 10.567 ( 13.769 0.000 10.261) 17.172 11.866 ( -0.792 0.000 -1.396) 1.605 11.973 ( 1.385 0.000 -1.074) 1.752 12.278 (-123.041 0.000 -1.327) 123.048 13.918 ( -1.070 0.000 5.985) 6.080 16.413 ( 9.333 0.000 -12.799) 15.840 16.940 ( 47.810 0.000 7.410) 48.381 17.461 ( -5.603 0.000 -1.371) 5.768 18.277 ( 1.934 0.000 1.646) 2.540 18.496 ( 3.195 0.000 0.064) 3.196 ======================= Grid point 100 (32/260) ======================= q-point: ( 0.10 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 14.841 0.000 22.114) 26.632 1.004 ( 20.682 0.000 21.654) 29.944 1.807 ( 29.803 0.000 41.607) 51.179 2.413 ( 5.309 0.000 7.120) 8.881 2.430 ( 39.436 0.000 -27.186) 47.898 2.760 ( 2.544 0.000 8.698) 9.063 2.912 ( 1.988 0.000 3.766) 4.259 3.416 ( 16.047 0.000 12.084) 20.088 3.894 ( -8.529 0.000 -4.457) 9.623 4.027 ( 4.933 0.000 -10.955) 12.015 4.468 ( 0.773 0.000 -3.957) 4.032 4.487 ( -8.467 0.000 -2.404) 8.801 4.646 ( 1.356 0.000 -11.908) 11.985 5.097 ( -3.783 0.000 -8.296) 9.118 5.378 ( 11.021 0.000 -7.712) 13.451 5.528 ( 1.571 0.000 5.327) 5.554 6.021 ( -2.510 0.000 17.487) 17.666 6.299 ( 4.840 0.000 2.938) 5.662 6.334 ( 1.065 0.000 7.414) 7.490 6.696 ( -3.002 0.000 -1.686) 3.443 7.066 ( -5.781 0.000 -15.247) 16.306 7.385 ( -16.789 0.000 -3.815) 17.217 7.401 ( -3.664 0.000 -6.148) 7.157 7.730 ( 1.395 0.000 -5.577) 5.749 8.432 ( 5.252 0.000 8.994) 10.415 8.518 ( -2.448 0.000 -2.036) 3.184 8.716 ( -13.737 0.000 -5.421) 14.768 9.103 ( 1.344 0.000 1.335) 1.895 9.321 ( 2.706 0.000 2.050) 3.394 9.364 ( 2.255 0.000 -0.653) 2.348 10.347 ( -4.630 0.000 -4.636) 6.552 10.375 ( 0.558 0.000 -2.371) 2.436 10.845 ( -16.283 0.000 21.591) 27.043 11.404 ( 11.963 0.000 -1.825) 12.101 11.871 ( 4.697 0.000 -4.025) 6.186 12.024 ( 3.539 0.000 1.958) 4.045 13.973 ( 0.185 0.000 7.759) 7.761 16.367 ( 3.798 0.000 -13.239) 13.773 17.005 ( -17.934 0.000 17.381) 24.975 17.202 ( -18.783 0.000 -4.930) 19.419 18.409 ( 9.121 0.000 2.272) 9.400 18.943 ( 30.405 0.000 -16.534) 34.609 ======================= Grid point 101 (33/260) ======================= q-point: ( 0.20 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 16.160 0.000 17.913) 24.125 1.520 ( 15.866 0.000 21.800) 26.962 2.526 ( 9.900 0.000 -11.279) 15.008 2.593 ( 5.444 0.000 9.194) 10.685 2.786 ( 32.203 0.000 17.824) 36.807 2.921 ( 14.187 0.000 5.238) 15.123 3.013 ( 4.725 0.000 4.030) 6.210 3.698 ( 3.580 0.000 6.080) 7.056 3.727 ( -9.557 0.000 1.220) 9.635 4.025 ( 7.066 0.000 -10.671) 12.798 4.368 ( -9.028 0.000 -1.351) 9.129 4.424 ( 2.598 0.000 1.961) 3.255 4.620 ( 8.591 0.000 -10.984) 13.945 4.893 ( -5.449 0.000 -14.012) 15.035 5.469 ( 5.919 0.000 -6.096) 8.496 5.612 ( 1.054 0.000 6.973) 7.053 6.104 ( -5.020 0.000 12.867) 13.812 6.378 ( 2.265 0.000 -0.220) 2.275 6.408 ( -2.954 0.000 12.319) 12.668 6.663 ( -1.630 0.000 3.259) 3.644 6.838 ( -3.283 0.000 -16.101) 16.433 6.991 ( -20.606 0.000 -6.462) 21.596 7.283 ( -3.510 0.000 -6.021) 6.969 7.710 ( 4.065 0.000 -8.578) 9.493 8.340 ( -12.602 0.000 -5.999) 13.957 8.558 ( -0.056 0.000 7.571) 7.571 8.567 ( -0.978 0.000 -1.660) 1.926 9.120 ( -1.814 0.000 2.375) 2.989 9.349 ( -2.128 0.000 -1.526) 2.619 9.410 ( 5.233 0.000 3.002) 6.033 10.212 ( -4.336 0.000 -6.868) 8.122 10.291 ( -9.943 0.000 9.048) 13.443 10.865 ( -0.184 0.000 11.785) 11.787 11.695 ( 20.779 0.000 -8.757) 22.549 11.937 ( 8.887 0.000 -8.833) 12.530 12.133 ( 4.212 0.000 7.758) 8.827 14.072 ( 2.267 0.000 9.377) 9.647 16.317 ( 4.976 0.000 -14.174) 15.022 16.779 ( -23.154 0.000 -6.447) 24.034 16.895 ( -13.905 0.000 17.626) 22.450 18.586 ( 8.761 0.000 1.632) 8.912 19.196 ( 16.064 0.000 -11.088) 19.519 ======================= Grid point 102 (34/260) ======================= q-point: ( 0.30 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 11.439 0.000 14.164) 18.206 1.929 ( 8.551 0.000 17.764) 19.715 2.460 ( 4.750 0.000 -12.604) 13.470 2.698 ( 0.863 0.000 0.807) 1.181 3.107 ( 12.727 0.000 -5.723) 13.955 3.173 ( 5.989 0.000 9.561) 11.282 3.502 ( -1.983 0.000 0.771) 2.127 3.641 ( -9.575 0.000 4.305) 10.498 3.698 ( 23.563 0.000 18.027) 29.667 4.063 ( 4.820 0.000 -16.790) 17.468 4.222 ( -5.985 0.000 3.927) 7.158 4.496 ( 5.349 0.000 -1.348) 5.516 4.707 ( 8.606 0.000 -2.878) 9.075 4.788 ( 7.084 0.000 -9.506) 11.855 5.463 ( -0.317 0.000 -5.247) 5.257 5.689 ( -0.932 0.000 9.473) 9.519 6.053 ( -9.103 0.000 0.686) 9.129 6.347 ( -11.916 0.000 -9.983) 15.546 6.453 ( -2.552 0.000 6.801) 7.264 6.466 ( -10.459 0.000 6.764) 12.455 6.675 ( -1.653 0.000 -9.053) 9.202 6.878 ( 3.415 0.000 8.034) 8.730 7.180 ( -2.875 0.000 -2.851) 4.048 7.717 ( 7.350 0.000 -11.165) 13.367 8.077 ( -11.218 0.000 -4.528) 12.097 8.554 ( 0.509 0.000 -1.327) 1.421 8.556 ( -8.103 0.000 7.086) 10.764 9.093 ( -2.469 0.000 0.960) 2.649 9.288 ( -2.322 0.000 -2.522) 3.428 9.547 ( 6.768 0.000 2.807) 7.327 10.086 ( -2.631 0.000 -6.960) 7.440 10.230 ( -6.702 0.000 7.955) 10.402 10.973 ( 2.520 0.000 5.334) 5.900 11.935 ( 14.112 0.000 -3.709) 14.591 11.991 ( 8.425 0.000 -12.133) 14.771 12.308 ( 4.741 0.000 12.311) 13.193 14.222 ( 4.336 0.000 9.920) 10.826 16.274 ( 5.759 0.000 -15.593) 16.622 16.319 ( -22.172 0.000 -6.423) 23.084 16.837 ( -10.677 0.000 15.231) 18.600 18.730 ( 6.259 0.000 1.076) 6.351 19.334 ( 9.928 0.000 -6.702) 11.978 ======================= Grid point 103 (35/260) ======================= q-point: ( 0.40 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 1.416 0.000 8.818) 8.931 2.070 ( -2.273 0.000 4.057) 4.651 2.574 ( 13.778 0.000 -1.984) 13.920 2.706 ( 2.749 0.000 -2.135) 3.480 3.126 ( -5.339 0.000 -8.158) 9.750 3.229 ( -7.262 0.000 2.763) 7.770 3.403 ( 4.699 0.000 -6.017) 7.635 3.617 ( -2.197 0.000 -2.538) 3.357 3.903 ( 1.930 0.000 -3.797) 4.260 3.957 ( -8.195 0.000 5.250) 9.732 4.538 ( 26.663 0.000 10.605) 28.695 4.614 ( 9.436 0.000 -11.446) 14.834 4.846 ( 7.038 0.000 -4.061) 8.125 4.864 ( 9.250 0.000 5.545) 10.784 5.360 ( -8.323 0.000 -5.070) 9.746 5.708 ( -22.768 0.000 -5.830) 23.503 5.727 ( -5.013 0.000 6.714) 8.379 6.088 ( -1.055 0.000 -8.716) 8.779 6.474 ( 3.156 0.000 1.985) 3.728 6.503 ( -2.698 0.000 12.750) 13.033 6.582 ( -3.546 0.000 -6.204) 7.146 7.001 ( 0.801 0.000 6.753) 6.800 7.175 ( 0.357 0.000 8.291) 8.299 7.758 ( 10.472 0.000 -13.348) 16.965 7.905 ( -5.088 0.000 -0.088) 5.089 8.426 ( -13.134 0.000 6.312) 14.572 8.556 ( 0.759 0.000 -0.529) 0.925 9.067 ( -0.640 0.000 -0.863) 1.074 9.230 ( -0.856 0.000 -4.039) 4.129 9.660 ( 3.500 0.000 0.230) 3.507 10.011 ( 0.574 0.000 -3.872) 3.915 10.193 ( -5.238 0.000 5.841) 7.846 11.034 ( 0.717 0.000 1.307) 1.491 12.004 ( 6.679 0.000 -13.048) 14.658 12.122 ( 8.497 0.000 2.283) 8.798 12.493 ( 1.457 0.000 14.533) 14.606 14.367 ( 1.698 0.000 6.891) 7.097 15.956 ( -12.610 0.000 -2.890) 12.937 16.226 ( 6.244 0.000 -17.341) 18.431 16.801 ( -8.628 0.000 12.717) 15.368 18.818 ( 3.008 0.000 0.750) 3.100 19.423 ( 6.197 0.000 -3.919) 7.332 ======================= Grid point 104 (36/260) ======================= q-point: (-0.50 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -7.895 0.000 2.552) 8.297 2.008 ( -6.520 0.000 -1.252) 6.639 2.675 ( -2.615 0.000 -5.114) 5.744 2.725 ( -0.247 0.000 -5.745) 5.750 3.013 ( 5.814 0.000 -5.140) 7.760 3.116 ( -4.837 0.000 -0.753) 4.895 3.406 ( -2.906 0.000 -11.951) 12.299 3.495 ( 12.174 0.000 -9.109) 15.204 3.802 ( -12.194 0.000 2.509) 12.450 4.164 ( 12.513 0.000 13.795) 18.625 4.523 ( -0.652 0.000 -18.528) 18.540 4.771 ( -17.781 0.000 -2.178) 17.914 4.970 ( 6.573 0.000 0.615) 6.602 4.983 ( -13.106 0.000 0.706) 13.125 5.222 ( 21.470 0.000 5.468) 22.156 5.521 ( 3.691 0.000 -5.482) 6.609 5.619 ( -8.772 0.000 -1.913) 8.979 6.088 ( 4.670 0.000 3.200) 5.661 6.402 ( -7.499 0.000 -10.594) 12.979 6.556 ( -2.729 0.000 6.351) 6.913 6.645 ( 9.645 0.000 9.125) 13.278 7.016 ( -4.840 0.000 7.224) 8.695 7.322 ( 1.931 0.000 16.134) 16.249 7.822 ( 12.365 0.000 -16.223) 20.398 7.922 ( 3.427 0.000 6.058) 6.960 8.261 ( -11.231 0.000 5.406) 12.465 8.572 ( 1.069 0.000 0.521) 1.189 9.048 ( -0.075 0.000 -2.097) 2.098 9.182 ( 0.618 0.000 -6.038) 6.070 9.644 ( -2.505 0.000 -4.504) 5.154 10.052 ( 4.847 0.000 1.472) 5.066 10.149 ( -5.246 0.000 3.764) 6.456 11.020 ( -2.015 0.000 -1.879) 2.756 11.985 ( 4.971 0.000 -12.718) 13.655 12.277 ( 3.615 0.000 9.213) 9.897 12.603 ( -5.065 0.000 15.250) 16.069 14.345 ( -7.915 0.000 -0.388) 7.925 15.906 ( 6.108 0.000 4.874) 7.815 16.168 ( 6.662 0.000 -19.420) 20.531 16.771 ( -7.204 0.000 10.121) 12.423 18.845 ( -0.592 0.000 0.506) 0.779 19.477 ( 3.304 0.000 -2.036) 3.882 ======================= Grid point 105 (37/260) ======================= q-point: (-0.40 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -17.811 0.000 -5.028) 18.507 1.782 ( -15.776 0.000 -0.710) 15.792 2.538 ( -6.240 0.000 -15.966) 17.142 2.584 ( 0.192 0.000 -3.389) 3.394 3.038 ( -2.670 0.000 -4.502) 5.234 3.066 ( 4.576 0.000 -12.010) 12.852 3.441 ( 8.939 0.000 2.832) 9.377 3.584 ( -1.219 0.000 -3.559) 3.762 3.692 ( 5.489 0.000 -2.085) 5.871 4.117 ( -37.496 0.000 -6.695) 38.089 4.245 ( -0.679 0.000 -19.639) 19.651 4.544 ( 4.995 0.000 14.848) 15.665 5.005 ( -0.700 0.000 8.947) 8.974 5.010 ( -2.631 0.000 0.193) 2.638 5.477 ( -1.472 0.000 -4.967) 5.180 5.534 ( 11.676 0.000 -7.243) 13.740 5.561 ( 6.575 0.000 -0.870) 6.633 6.167 ( -6.173 0.000 -12.628) 14.057 6.329 ( 13.135 0.000 12.582) 18.189 6.482 ( -5.210 0.000 -7.322) 8.986 6.922 ( 9.178 0.000 13.096) 15.992 7.052 ( -3.007 0.000 17.330) 17.589 7.498 ( -0.007 0.000 17.453) 17.453 7.863 ( 9.143 0.000 -16.139) 18.549 8.097 ( 8.184 0.000 8.314) 11.666 8.165 ( -3.474 0.000 1.525) 3.794 8.602 ( 1.208 0.000 1.624) 2.024 9.024 ( 0.231 0.000 -3.122) 3.130 9.136 ( 1.888 0.000 -8.807) 9.007 9.523 ( -5.071 0.000 -6.266) 8.061 10.074 ( -6.294 0.000 1.149) 6.398 10.172 ( 5.614 0.000 3.823) 6.792 10.932 ( -4.795 0.000 -4.236) 6.398 11.946 ( 3.568 0.000 -11.245) 11.798 12.427 ( -0.477 0.000 18.180) 18.186 12.588 ( -12.331 0.000 13.638) 18.386 14.152 ( -10.015 0.000 -3.452) 10.594 16.095 ( 7.016 0.000 -22.184) 23.268 16.197 ( 17.802 0.000 9.189) 20.033 16.737 ( -6.109 0.000 7.267) 9.494 18.806 ( -4.306 0.000 0.180) 4.310 19.501 ( 1.143 0.000 -0.835) 1.416 ======================= Grid point 106 (38/260) ======================= q-point: (-0.30 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -24.440 0.000 -5.263) 25.000 1.424 ( -23.524 0.000 -2.302) 23.637 2.336 ( -1.055 0.000 -11.503) 11.552 2.533 ( -7.982 0.000 -6.187) 10.099 2.886 ( -13.366 0.000 -14.459) 19.690 2.906 ( -5.046 0.000 -10.231) 11.408 3.385 ( -22.083 0.000 6.020) 22.889 3.574 ( 0.343 0.000 -3.587) 3.603 3.621 ( 3.988 0.000 4.121) 5.734 3.954 ( 18.107 0.000 -9.289) 20.351 4.085 ( 2.433 0.000 -15.425) 15.616 4.587 ( -11.547 0.000 9.384) 14.879 5.051 ( 6.953 0.000 4.780) 8.438 5.061 ( -2.844 0.000 7.903) 8.399 5.456 ( 1.003 0.000 -3.997) 4.121 5.521 ( 4.869 0.000 -14.089) 14.907 5.733 ( 3.579 0.000 8.998) 9.683 6.001 ( 1.479 0.000 -12.121) 12.211 6.291 ( -4.945 0.000 -11.928) 12.912 6.668 ( 11.592 0.000 10.056) 15.346 7.168 ( 5.370 0.000 11.881) 13.038 7.223 ( 2.002 0.000 20.495) 20.593 7.645 ( -1.122 0.000 17.322) 17.358 7.848 ( 3.429 0.000 -9.504) 10.103 8.134 ( 1.686 0.000 -7.959) 8.135 8.337 ( 10.614 0.000 7.959) 13.267 8.644 ( 1.204 0.000 3.293) 3.507 9.007 ( 1.658 0.000 -3.669) 4.027 9.080 ( 2.867 0.000 -12.772) 13.090 9.376 ( -4.809 0.000 -6.189) 7.837 9.945 ( -8.387 0.000 -2.209) 8.673 10.301 ( 4.668 0.000 4.376) 6.398 10.783 ( -6.994 0.000 -5.304) 8.778 11.907 ( 2.722 0.000 -8.806) 9.217 12.440 ( -16.501 0.000 9.526) 19.054 12.619 ( -2.649 0.000 31.413) 31.524 13.987 ( -6.079 0.000 -1.399) 6.237 15.992 ( 6.738 0.000 -26.751) 27.587 16.625 ( 20.692 0.000 9.256) 22.668 16.692 ( -5.062 0.000 3.955) 6.424 18.701 ( -7.839 0.000 -0.283) 7.844 19.503 ( 0.014 0.000 -0.999) 0.999 ======================= Grid point 107 (39/260) ======================= q-point: (-0.20 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -26.070 0.000 2.991) 26.241 0.969 ( -27.043 0.000 0.268) 27.045 1.937 ( -48.454 0.000 -5.438) 48.758 2.290 ( 1.857 0.000 -1.922) 2.673 2.588 ( -6.137 0.000 -7.321) 9.553 2.716 ( -2.779 0.000 -11.630) 11.958 3.263 ( -5.178 0.000 -4.527) 6.878 3.530 ( -16.075 0.000 -0.718) 16.091 3.653 ( 14.958 0.000 -6.062) 16.139 4.047 ( 6.993 0.000 -11.806) 13.722 4.204 ( 18.592 0.000 -6.414) 19.667 4.568 ( -0.124 0.000 11.752) 11.753 5.006 ( -8.165 0.000 -0.835) 8.208 5.196 ( 1.945 0.000 2.746) 3.365 5.410 ( 0.289 0.000 -3.583) 3.595 5.479 ( 2.984 0.000 -9.443) 9.903 5.831 ( -1.485 0.000 8.007) 8.143 6.007 ( 9.331 0.000 -8.917) 12.907 6.147 ( -0.206 0.000 -7.492) 7.494 6.866 ( 2.432 0.000 5.921) 6.401 7.315 ( 1.488 0.000 7.227) 7.378 7.463 ( 4.761 0.000 15.910) 16.608 7.779 ( -3.434 0.000 15.457) 15.834 7.822 ( 2.091 0.000 -2.540) 3.290 8.047 ( 0.707 0.000 -14.517) 14.534 8.591 ( 9.563 0.000 7.815) 12.350 8.732 ( 5.031 0.000 7.755) 9.244 8.985 ( 1.559 0.000 -17.159) 17.229 9.019 ( 3.284 0.000 -3.083) 4.505 9.262 ( -1.895 0.000 -5.134) 5.472 9.738 ( -11.638 0.000 -5.351) 12.809 10.404 ( 2.870 0.000 3.590) 4.596 10.610 ( -7.339 0.000 -4.124) 8.418 11.883 ( 2.442 0.000 -5.876) 6.364 12.226 ( -15.105 0.000 4.827) 15.858 12.980 ( 2.602 0.000 53.319) 53.383 13.912 ( -3.177 0.000 1.702) 3.604 15.800 ( 2.750 0.000 -35.853) 35.959 16.634 ( -3.807 0.000 -0.049) 3.808 17.049 ( 18.962 0.000 7.363) 20.341 18.536 ( -10.478 0.000 -0.738) 10.504 19.472 ( -0.623 0.000 -6.592) 6.622 ======================= Grid point 108 (40/260) ======================= q-point: (-0.10 0.00 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -24.515 0.000 12.112) 27.344 0.597 ( -20.416 0.000 23.188) 30.895 1.053 ( -51.146 0.000 15.675) 53.494 2.296 ( -0.499 0.000 -1.052) 1.164 2.488 ( -2.211 0.000 -4.146) 4.698 2.699 ( -42.518 0.000 -58.438) 72.269 2.711 ( 9.382 0.000 1.451) 9.494 3.188 ( -19.201 0.000 -0.729) 19.215 3.927 ( 16.805 0.000 -1.739) 16.894 4.065 ( 6.523 0.000 -11.167) 12.932 4.468 ( 15.896 0.000 -2.011) 16.023 4.701 ( 1.082 0.000 7.939) 8.012 4.783 ( -11.523 0.000 -7.409) 13.700 5.149 ( -3.781 0.000 -0.914) 3.890 5.416 ( 0.505 0.000 -13.775) 13.784 5.448 ( 3.578 0.000 -0.411) 3.602 5.846 ( -4.790 0.000 7.899) 9.238 6.114 ( 9.754 0.000 -5.051) 10.984 6.127 ( 1.968 0.000 -2.900) 3.504 6.849 ( -7.943 0.000 1.146) 8.026 7.357 ( -1.413 0.000 1.670) 2.187 7.621 ( -0.204 0.000 7.694) 7.697 7.720 ( -8.058 0.000 -0.781) 8.096 7.832 ( 0.414 0.000 -10.240) 10.248 8.037 ( 4.822 0.000 8.005) 9.345 8.760 ( -4.520 0.000 -9.544) 10.560 8.919 ( 12.725 0.000 6.333) 14.214 9.021 ( 18.574 0.000 27.091) 32.846 9.049 ( 2.195 0.000 -1.515) 2.667 9.226 ( 2.365 0.000 -3.465) 4.195 9.457 ( -13.899 0.000 -5.605) 14.986 10.458 ( 0.392 0.000 1.557) 1.605 10.488 ( -3.734 0.000 0.500) 3.767 11.881 ( 1.677 0.000 -2.877) 3.330 12.038 ( -8.820 0.000 0.759) 8.852 13.779 ( 20.959 0.000 35.778) 41.465 13.897 ( -1.911 0.000 4.100) 4.524 15.404 ( -2.281 0.000 -12.071) 12.285 16.563 ( -1.942 0.000 -3.797) 4.264 17.380 ( 11.960 0.000 3.992) 12.609 18.349 ( -9.332 0.000 -0.476) 9.344 19.216 ( -18.649 0.000 -31.745) 36.818 ======================= Grid point 109 (41/260) ======================= q-point: ( 0.00 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -2.772 18.115 12.414) 22.135 0.758 ( -1.481 20.960 13.879) 25.182 1.532 ( 5.647 33.634 37.405) 50.619 1.663 ( 13.376 9.822 4.290) 17.141 2.405 ( 8.263 -7.220 6.394) 12.700 2.613 ( 4.343 7.451 -2.051) 8.864 2.951 ( -7.496 0.688 1.202) 7.623 3.004 ( 15.399 -0.454 11.249) 19.076 3.735 ( 6.275 -20.102 -9.392) 23.059 4.118 ( -13.119 0.944 -10.096) 16.581 4.493 ( 9.736 -7.157 4.029) 12.738 4.564 ( -7.721 -2.816 -8.860) 12.085 4.875 ( 3.403 13.746 -2.641) 14.405 5.120 ( 5.252 -2.198 4.025) 6.973 5.329 ( 2.610 1.112 -10.636) 11.008 5.486 ( 0.857 0.960 -4.250) 4.440 5.813 ( -0.987 -4.802 9.195) 10.420 6.044 ( 4.843 -10.054 0.599) 11.176 6.256 ( 0.291 -0.962 7.980) 8.043 6.819 ( -3.950 6.280 -0.408) 7.430 7.203 ( -2.635 -7.680 -4.024) 9.061 7.411 ( -8.857 -7.054 -4.930) 12.350 7.767 ( -6.735 8.383 -5.080) 11.893 7.880 ( 1.197 8.266 -7.878) 11.481 8.184 ( 4.939 -2.657 9.173) 10.751 8.644 ( -2.573 4.303 0.053) 5.014 8.996 ( -3.116 -0.684 0.073) 3.191 9.058 ( -3.009 0.633 1.415) 3.385 9.209 ( 2.950 -2.338 1.424) 4.024 9.306 ( 3.053 0.951 -0.011) 3.198 10.176 ( 38.200 6.472 -5.369) 39.115 10.407 ( -3.497 -2.229 -1.568) 4.434 10.553 ( 8.489 -1.903 10.244) 13.440 11.156 ( -50.517 -30.289 31.598) 66.842 11.856 ( -0.363 -0.974 -1.738) 2.025 12.010 ( -3.391 -3.037 4.444) 6.361 14.914 ( -19.089 31.324 -34.435) 50.312 16.326 ( 4.914 -7.033 -11.508) 14.354 16.909 ( 24.035 1.058 14.201) 27.937 17.469 ( -3.509 0.186 0.177) 3.518 18.330 ( 1.213 3.266 -0.193) 3.489 18.501 ( 2.551 0.426 -0.019) 2.586 ======================= Grid point 110 (42/260) ======================= q-point: ( 0.10 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 14.122 3.421 20.507) 25.133 1.130 ( 17.408 11.144 18.766) 27.918 2.031 ( 17.141 -10.844 -0.998) 20.308 2.132 ( 23.142 22.943 31.254) 45.153 2.702 ( 13.237 -2.869 6.553) 15.047 2.783 ( 10.881 7.362 6.198) 14.526 2.933 ( 5.681 3.854 -2.668) 7.365 3.403 ( 15.748 -1.213 11.923) 19.790 3.760 ( -0.113 -15.915 -8.057) 17.839 3.789 ( -6.620 -9.643 -4.038) 12.374 4.335 ( -9.706 -5.415 -6.314) 12.782 4.640 ( 5.507 1.560 -2.780) 6.363 4.818 ( -4.371 15.672 -5.607) 17.209 5.133 ( 0.451 4.838 -10.063) 11.174 5.431 ( 10.710 1.569 -1.480) 10.925 5.458 ( -0.726 -5.608 2.005) 6.000 5.874 ( -2.110 -8.817 8.996) 12.772 6.151 ( 5.836 -12.102 1.697) 13.543 6.340 ( -1.096 -2.597 10.949) 11.306 6.768 ( -0.705 6.941 -2.931) 7.568 7.063 ( -5.245 -0.460 -11.662) 12.796 7.204 ( -9.572 -11.967 -3.829) 15.795 7.549 ( -11.639 8.436 -7.498) 16.213 7.820 ( 0.503 6.495 -7.555) 9.976 8.329 ( 2.690 -4.484 4.837) 7.123 8.600 ( -2.159 3.545 -0.807) 4.229 8.783 ( -12.439 5.227 -2.468) 13.717 9.080 ( 0.328 -1.367 3.354) 3.636 9.285 ( 3.269 -2.588 3.223) 5.270 9.375 ( 2.359 0.863 -0.745) 2.620 10.307 ( -5.067 -3.417 -3.979) 7.293 10.406 ( -2.801 2.355 1.132) 3.830 10.801 ( -16.159 -5.346 22.434) 28.160 11.068 ( 31.556 -14.088 2.364) 34.638 11.860 ( 4.284 -1.093 -3.830) 5.849 12.044 ( 2.094 -1.104 3.775) 4.456 14.431 ( -10.975 28.358 -12.321) 32.809 16.242 ( 1.125 -10.325 -14.370) 17.731 17.020 ( -14.031 2.092 16.781) 21.974 17.265 ( -16.355 4.333 -2.471) 17.099 18.430 ( 8.660 1.860 1.628) 9.006 18.847 ( 26.509 -6.523 -8.245) 28.517 ======================= Grid point 111 (43/260) ======================= q-point: ( 0.20 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 19.169 -0.447 18.151) 26.403 1.597 ( 14.895 6.922 19.963) 25.851 2.259 ( 10.957 -12.484 0.798) 16.630 2.756 ( 16.379 11.274 6.966) 21.069 2.843 ( 6.032 1.591 2.225) 6.623 2.994 ( 4.712 -1.912 6.230) 8.042 3.184 ( 23.650 16.875 8.565) 30.290 3.546 ( -10.382 -10.038 2.667) 14.685 3.663 ( 5.425 -5.826 0.738) 7.995 3.920 ( 8.324 -10.007 1.870) 13.150 4.187 ( 0.793 -5.487 -2.056) 5.913 4.622 ( 0.796 5.719 -9.363) 11.000 4.677 ( -7.606 8.002 -2.487) 11.317 5.028 ( 1.094 11.339 -11.173) 15.956 5.456 ( 1.970 -4.701 -2.865) 5.847 5.597 ( 3.815 0.410 4.616) 6.003 5.919 ( -2.631 -11.194 10.350) 15.471 6.252 ( 4.452 -11.600 -0.863) 12.455 6.413 ( -0.784 -4.024 8.674) 9.594 6.710 ( -6.626 4.519 -2.997) 8.562 6.847 ( -6.086 1.999 -10.524) 12.321 6.999 ( -10.136 -4.320 0.309) 11.022 7.283 ( -7.713 4.025 -10.297) 13.481 7.769 ( 2.511 4.462 -8.824) 10.202 8.297 ( -7.862 -2.359 -2.578) 8.603 8.557 ( -2.025 1.189 -1.094) 2.591 8.636 ( -4.906 3.544 3.907) 7.204 9.089 ( -3.117 -2.502 3.071) 5.040 9.357 ( -1.295 0.612 -0.734) 1.610 9.404 ( 5.549 -0.109 3.092) 6.353 10.168 ( -5.372 -3.579 -5.634) 8.568 10.327 ( -8.949 2.581 9.513) 13.313 10.878 ( 3.623 1.530 8.803) 9.642 11.530 ( 22.589 -10.836 -2.744) 25.204 11.927 ( 8.684 -1.608 -6.977) 11.255 12.142 ( 3.731 -0.703 6.744) 7.739 14.264 ( -3.472 14.976 0.156) 15.374 16.099 ( -2.227 -15.751 -15.469) 22.188 16.902 ( -14.804 6.363 3.527) 16.495 16.969 ( -14.524 7.268 8.535) 18.347 18.600 ( 8.743 1.275 1.209) 8.918 19.134 ( 16.444 -5.118 -8.034) 19.004 ======================= Grid point 112 (44/260) ======================= q-point: ( 0.30 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 14.354 1.904 12.987) 19.451 1.990 ( 10.222 5.374 18.084) 21.457 2.436 ( 8.837 -8.187 0.251) 12.049 2.722 ( -2.609 11.600 -5.617) 13.150 3.090 ( 10.644 -5.241 -7.935) 14.273 3.105 ( 3.652 -4.238 4.156) 6.969 3.439 ( -7.450 -3.363 6.760) 10.607 3.536 ( -5.790 -7.735 -0.989) 9.712 3.852 ( 25.282 9.044 16.089) 31.302 4.069 ( 7.864 -0.497 -4.447) 9.048 4.203 ( -2.906 -0.352 -2.122) 3.615 4.529 ( 0.727 3.174 -4.764) 5.771 4.656 ( 9.148 1.196 -0.913) 9.271 4.988 ( 2.726 12.090 -6.548) 14.017 5.438 ( -0.506 -4.395 -4.973) 6.656 5.661 ( -2.163 -1.805 7.850) 8.340 5.958 ( -2.789 -6.439 5.838) 9.128 6.244 ( -7.743 -9.244 -5.557) 13.278 6.411 ( -10.349 -1.194 -5.373) 11.722 6.474 ( -1.217 -0.445 4.161) 4.358 6.699 ( -2.853 -0.845 -4.701) 5.564 6.995 ( 0.372 9.162 11.213) 14.485 7.105 ( -3.250 -4.826 -7.579) 9.555 7.747 ( 5.462 2.426 -10.708) 12.263 8.098 ( -9.689 1.909 -3.623) 10.519 8.498 ( -5.677 -1.763 2.130) 6.315 8.616 ( -2.561 2.011 2.902) 4.362 9.042 ( -3.737 -4.297 0.977) 5.778 9.302 ( -2.815 1.801 -1.561) 3.688 9.553 ( 7.203 0.256 2.985) 7.801 10.033 ( -3.898 -4.109 -5.712) 8.044 10.285 ( -5.662 4.081 7.644) 10.351 11.014 ( 4.516 3.873 3.736) 7.025 11.814 ( 12.967 -7.547 -1.807) 15.111 12.014 ( 10.342 -0.981 -9.517) 14.089 12.296 ( 4.273 -1.623 10.872) 11.794 14.277 ( 0.982 4.997 5.525) 7.514 15.873 ( -7.989 -20.183 -13.295) 25.454 16.645 ( -8.711 13.448 -7.585) 17.728 16.894 ( -10.017 4.911 14.015) 17.913 18.740 ( 6.318 1.071 0.813) 6.459 19.296 ( 10.225 -3.371 -5.601) 12.136 ======================= Grid point 113 (45/260) ======================= q-point: ( 0.40 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 4.526 4.554 7.343) 9.754 2.227 ( 0.291 11.161 8.093) 13.789 2.556 ( 5.285 -3.450 -2.281) 6.710 2.696 ( 4.663 2.628 0.807) 5.413 3.060 ( -5.754 -13.059 -2.171) 14.435 3.126 ( -1.732 0.750 -7.758) 7.984 3.345 ( 1.403 -6.941 -3.861) 8.065 3.527 ( -0.857 -1.939 -0.698) 2.232 3.960 ( -1.522 3.810 -8.746) 9.661 4.092 ( -6.733 8.253 7.492) 13.022 4.464 ( 19.995 -5.702 5.132) 21.416 4.653 ( 13.162 2.531 -3.710) 13.907 4.800 ( 7.833 -0.899 -5.696) 9.727 5.036 ( 7.536 10.824 5.162) 14.163 5.343 ( -4.339 -3.755 -6.786) 8.887 5.639 ( -12.276 -4.464 3.753) 13.591 5.788 ( -16.732 5.414 -1.518) 17.651 6.013 ( -0.310 -5.056 -3.455) 6.132 6.401 ( 0.750 -5.083 5.446) 7.487 6.498 ( 2.930 2.092 1.748) 4.002 6.646 ( -2.124 -1.405 -2.011) 3.245 6.957 ( -2.567 -2.418 -5.608) 6.625 7.196 ( 1.925 1.828 17.854) 18.050 7.760 ( 8.584 0.516 -12.806) 15.425 7.947 ( -4.563 3.467 -0.448) 5.748 8.391 ( -10.393 -2.024 5.115) 11.759 8.597 ( -0.891 2.379 0.098) 2.543 8.996 ( -1.475 -5.893 -1.094) 6.173 9.246 ( -1.386 2.058 -2.225) 3.333 9.675 ( 3.849 1.084 0.530) 4.034 9.944 ( -0.803 -5.347 -3.092) 6.228 10.260 ( -4.452 4.997 5.292) 8.532 11.088 ( 1.863 5.125 0.188) 5.456 11.939 ( 6.021 -4.968 -5.534) 9.568 12.120 ( 8.722 -1.197 -3.470) 9.463 12.465 ( 1.531 -2.873 13.483) 13.870 14.354 ( 0.474 -0.648 5.027) 5.091 15.644 ( -5.234 -19.123 -6.317) 20.809 16.472 ( -1.465 13.396 -11.938) 18.003 16.859 ( -7.746 4.842 11.373) 14.587 18.829 ( 3.118 1.071 0.657) 3.361 19.394 ( 6.174 -2.659 -3.483) 7.571 ======================= Grid point 114 (46/260) ======================= q-point: (-0.50 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -8.948 4.637 -0.135) 10.079 2.181 ( -9.481 13.659 -1.306) 16.678 2.551 ( -0.018 -8.296 -4.645) 9.508 2.791 ( -2.574 2.745 2.556) 4.549 2.961 ( -0.405 -9.480 -3.158) 10.001 3.071 ( 4.903 1.988 -5.293) 7.484 3.292 ( -0.825 -6.785 -12.371) 14.134 3.482 ( 5.511 -0.332 -4.932) 7.403 3.886 ( -5.691 5.348 -2.140) 8.098 4.147 ( 4.254 -2.316 5.612) 7.413 4.523 ( -0.146 0.540 -8.558) 8.576 4.773 ( -6.762 -0.164 -3.934) 7.825 4.948 ( 7.548 -1.503 2.898) 8.224 5.067 ( -14.233 5.989 -3.182) 15.766 5.309 ( 13.562 4.426 4.285) 14.896 5.421 ( -0.687 -6.864 -6.560) 9.520 5.645 ( -5.461 3.392 -1.348) 6.569 6.069 ( 5.379 -0.112 7.607) 9.317 6.414 ( -1.792 -1.907 -2.704) 3.763 6.548 ( -5.409 -0.229 -3.963) 6.709 6.662 ( 9.135 1.222 8.760) 12.715 6.897 ( -3.244 -7.428 4.336) 9.192 7.388 ( 0.315 3.017 18.892) 19.133 7.803 ( 10.723 -1.507 -14.831) 18.363 7.953 ( 3.327 3.051 4.139) 6.125 8.263 ( -8.984 0.549 5.284) 10.437 8.593 ( 0.499 1.353 -0.310) 1.475 8.966 ( -0.187 -6.190 -2.498) 6.678 9.215 ( 0.609 2.650 -3.185) 4.188 9.657 ( -3.217 1.085 -4.367) 5.532 9.978 ( 4.169 -5.660 2.408) 7.431 10.223 ( -4.259 5.306 2.841) 7.374 11.079 ( -1.529 5.512 -2.712) 6.331 11.953 ( 3.963 -2.949 -8.793) 10.086 12.228 ( 2.637 -4.035 4.951) 6.910 12.569 ( -4.932 -3.896 14.087) 15.425 14.334 ( -5.259 -0.242 0.120) 5.266 15.658 ( 8.608 -16.230 3.512) 18.704 16.359 ( 2.511 11.404 -15.136) 19.117 16.833 ( -5.819 4.874 8.233) 11.197 18.858 ( -0.433 1.280 0.591) 1.474 19.447 ( 2.877 -2.746 -1.900) 4.408 ======================= Grid point 115 (47/260) ======================= q-point: (-0.40 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -14.942 3.378 -3.299) 15.670 1.861 ( -21.111 6.200 -5.316) 22.636 2.442 ( -7.946 -7.141 -9.063) 14.010 2.726 ( 0.141 10.962 -3.216) 11.425 2.910 ( -0.258 -8.590 -8.076) 11.793 3.098 ( 4.839 2.126 -10.067) 11.370 3.305 ( 3.179 -9.336 1.061) 9.919 3.525 ( 4.751 -6.163 -3.591) 8.570 3.781 ( -1.036 5.724 -6.762) 8.920 4.072 ( -16.546 -3.358 -4.000) 17.351 4.409 ( -11.945 12.507 -13.313) 21.825 4.587 ( 4.002 3.992 11.139) 12.491 4.779 ( -10.262 -7.982 -0.306) 13.004 5.224 ( 6.207 7.088 9.547) 13.413 5.367 ( 0.919 -11.817 -8.342) 14.494 5.492 ( 4.289 -1.118 -3.199) 5.466 5.593 ( 5.610 4.632 -3.466) 8.059 6.243 ( 0.716 2.580 -5.609) 6.216 6.381 ( -3.034 -2.415 -5.317) 6.581 6.406 ( 6.058 2.132 5.519) 8.468 6.903 ( 5.404 -3.266 9.799) 11.657 6.965 ( 1.634 -4.522 17.643) 18.287 7.550 ( -1.326 2.731 18.358) 18.607 7.832 ( 8.037 -2.857 -14.160) 16.530 8.120 ( 10.066 2.642 5.182) 11.625 8.199 ( -3.147 3.001 3.139) 5.363 8.605 ( 0.774 -0.047 0.354) 0.852 8.944 ( 0.945 -5.155 -3.441) 6.270 9.199 ( 1.792 3.830 -5.719) 7.113 9.529 ( -5.603 0.835 -4.949) 7.522 10.068 ( 0.404 -2.871 2.902) 4.102 10.181 ( -0.625 2.954 1.379) 3.319 10.989 ( -4.817 5.225 -4.745) 8.545 11.928 ( 2.885 -1.843 -8.992) 9.621 12.296 ( -4.257 -9.803 12.498) 16.445 12.540 ( -12.479 -5.549 11.973) 18.162 14.247 ( -2.911 8.245 0.812) 8.782 15.934 ( 15.472 -12.671 4.217) 20.438 16.286 ( 5.842 7.373 -13.710) 16.627 16.812 ( -3.210 5.159 4.514) 7.570 18.824 ( -4.116 1.678 0.431) 4.466 19.458 ( -0.117 -3.839 -0.990) 3.967 ======================= Grid point 116 (48/260) ======================= q-point: (-0.30 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -23.937 6.095 -3.237) 24.912 1.463 ( -22.489 4.695 -2.961) 23.164 2.228 ( -4.319 -7.804 -8.721) 12.475 2.658 ( -5.405 8.555 -8.029) 12.917 2.790 ( -4.589 -8.483 -11.338) 14.885 2.927 ( -15.183 4.767 -11.526) 19.650 3.372 ( 6.050 -7.948 3.219) 10.495 3.596 ( -7.234 -0.726 -4.425) 8.511 3.652 ( -3.913 -2.152 -3.468) 5.654 3.704 ( -6.170 -0.928 -2.745) 6.817 4.345 ( 12.248 13.760 -11.401) 21.664 4.552 ( -13.229 -4.420 7.290) 15.738 4.789 ( 4.777 -6.147 5.233) 9.381 5.288 ( -0.731 -10.131 -8.474) 13.228 5.364 ( 0.446 8.782 5.981) 10.635 5.511 ( 5.863 -0.951 -5.366) 8.004 5.695 ( 3.925 -0.820 2.669) 4.817 6.143 ( -2.837 7.245 -9.660) 12.404 6.180 ( -2.695 -7.657 -10.131) 12.982 6.727 ( 12.051 4.460 10.026) 16.299 7.053 ( 1.604 -9.366 12.833) 15.968 7.203 ( 4.830 -1.458 16.786) 17.528 7.690 ( -1.431 2.175 17.463) 17.656 7.836 ( 6.459 -1.155 -10.958) 12.772 8.178 ( -0.184 4.330 -3.126) 5.344 8.371 ( 12.400 3.031 6.040) 14.122 8.627 ( 0.787 -1.482 1.852) 2.499 8.937 ( 2.173 -3.591 -4.174) 5.920 9.148 ( 0.492 3.553 -10.450) 11.048 9.412 ( -3.043 3.087 -2.075) 4.806 9.990 ( -6.797 3.575 -3.338) 8.374 10.263 ( 4.351 -2.798 4.295) 6.724 10.834 ( -7.388 4.523 -5.461) 10.240 11.894 ( 2.366 -1.222 -7.807) 8.249 12.300 ( -13.555 -21.803 19.058) 31.973 12.380 ( -15.332 -5.474 8.894) 18.551 14.311 ( 6.597 22.527 8.546) 24.981 16.058 ( 7.866 4.552 -21.606) 23.440 16.423 ( 10.014 -9.967 7.679) 16.081 16.834 ( 4.804 5.546 1.047) 7.412 18.725 ( -7.639 2.199 0.091) 7.950 19.419 ( -3.411 -6.853 -1.420) 7.785 ======================= Grid point 117 (49/260) ======================= q-point: (-0.20 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -25.026 8.675 4.121) 26.805 1.030 ( -21.887 11.190 1.928) 24.657 2.125 ( -7.704 -7.518 -3.490) 11.316 2.219 ( -32.765 17.914 -4.651) 37.631 2.534 ( -7.834 -6.723 -10.519) 14.739 2.668 ( -2.330 -1.854 -7.464) 8.036 3.257 ( -17.257 -1.386 -11.110) 20.571 3.488 ( -8.564 -5.432 -0.817) 10.175 3.608 ( 6.661 -7.246 -5.671) 11.359 3.763 ( 12.399 -6.604 2.588) 14.284 4.467 ( 9.830 10.155 -9.530) 17.046 4.539 ( 3.102 -1.539 10.983) 11.516 4.846 ( -1.633 -5.920 -0.115) 6.142 5.161 ( -3.923 -8.362 -9.527) 13.270 5.399 ( 3.270 0.502 -2.014) 3.873 5.571 ( 1.557 6.636 -0.555) 6.839 5.752 ( -0.738 -3.883 3.193) 5.081 5.988 ( -0.325 -6.170 -8.958) 10.882 6.154 ( 2.482 3.616 -2.206) 4.910 6.928 ( 1.983 4.989 6.055) 8.092 7.183 ( 1.961 -12.172 7.370) 14.364 7.418 ( 2.759 -2.423 14.509) 14.967 7.812 ( 2.066 -0.689 5.194) 5.633 7.879 ( 4.907 3.857 1.479) 6.414 8.111 ( -2.556 7.087 -6.706) 10.087 8.626 ( 6.994 2.516 4.817) 8.857 8.693 ( 7.343 -2.053 4.907) 9.067 8.921 ( 0.640 -0.814 -5.594) 5.689 9.068 ( 2.582 1.370 -7.708) 8.243 9.393 ( 1.666 6.951 -0.507) 7.166 9.807 ( -7.656 6.598 -8.481) 13.194 10.369 ( 3.034 -2.829 4.229) 5.924 10.650 ( -8.088 3.451 -4.334) 9.804 11.869 ( 2.321 -1.490 -6.551) 7.108 12.102 ( -21.896 -23.163 11.006) 33.721 12.264 ( -17.863 -19.532 20.650) 33.571 14.687 ( 22.934 36.799 22.367) 48.790 15.920 ( 6.006 10.468 -33.561) 35.665 16.545 ( -0.989 -7.179 2.466) 7.654 17.061 ( 16.763 0.357 3.728) 17.177 18.567 ( -10.216 2.790 -0.322) 10.595 19.287 ( -9.949 -12.993 -5.064) 17.130 ======================= Grid point 118 (50/260) ======================= q-point: (-0.10 0.12 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -16.875 14.920 5.257) 23.130 0.866 ( -12.567 20.370 17.700) 29.769 1.522 ( -34.626 33.336 10.135) 49.122 1.952 ( -22.633 -10.744 -6.152) 25.797 2.355 ( -4.204 -10.231 -1.832) 11.212 2.703 ( 7.510 0.521 4.048) 8.547 2.789 ( -15.111 3.741 -17.195) 23.195 3.189 ( -17.564 -1.027 -2.186) 17.729 3.695 ( 8.784 -18.525 -9.377) 22.545 4.098 ( 17.006 4.065 5.958) 18.473 4.463 ( -2.826 -6.785 -7.078) 10.204 4.732 ( 1.364 -3.872 5.664) 6.995 4.759 ( 2.375 8.416 -6.227) 10.735 5.043 ( -0.221 -6.075 -3.032) 6.793 5.429 ( 1.165 -1.030 -5.900) 6.102 5.510 ( -0.125 5.751 -8.485) 10.251 5.766 ( -2.624 -3.380 7.791) 8.889 5.979 ( 3.843 -7.862 -2.777) 9.180 6.192 ( 1.461 1.333 2.758) 3.394 6.916 ( -6.571 5.241 2.101) 8.664 7.239 ( -0.230 -11.142 1.379) 11.229 7.524 ( -3.108 -4.409 6.201) 8.218 7.854 ( 5.145 0.410 -9.290) 10.627 7.958 ( -5.176 13.725 -1.320) 14.728 8.030 ( 3.083 -0.392 5.787) 6.569 8.678 ( -1.617 -0.989 1.835) 2.638 8.930 ( 5.040 1.881 3.660) 6.507 8.948 ( 9.709 0.295 5.063) 10.954 9.112 ( 6.717 -0.294 -1.500) 6.889 9.408 ( -6.068 1.376 1.442) 6.387 9.679 ( 12.713 19.286 -9.042) 24.806 10.439 ( 0.992 -1.703 3.121) 3.691 10.502 ( -5.274 1.392 -0.903) 5.529 11.728 ( -33.437 -38.294 14.113) 52.760 11.877 ( -2.903 -2.944 1.740) 4.485 12.108 ( -17.106 -13.460 13.979) 25.869 15.442 ( 6.655 4.531 3.078) 8.620 15.756 ( 43.057 45.443 -17.632) 65.037 16.516 ( 0.165 -3.285 -2.509) 4.137 17.365 ( 12.171 -1.515 3.555) 12.770 18.390 ( -8.628 3.485 -0.316) 9.311 18.912 ( -26.156 -14.718 -10.229) 31.708 ======================= Grid point 119 (51/260) ======================= q-point: ( 0.00 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 3.574 24.041 3.970) 24.627 1.242 ( -4.620 22.073 4.924) 23.083 1.963 ( -3.479 14.332 1.688) 14.844 2.134 ( 7.765 -0.464 14.793) 16.713 2.322 ( 5.654 24.819 17.289) 30.771 2.729 ( 3.250 3.874 0.921) 5.140 2.954 ( 4.303 -0.187 9.167) 10.128 2.994 ( 6.870 -0.951 2.500) 7.373 3.300 ( 4.085 -18.811 -6.086) 20.188 3.993 ( -10.552 -10.905 -6.366) 16.456 4.382 ( -6.739 -10.575 -5.260) 13.598 4.537 ( 4.789 6.799 2.288) 8.625 4.887 ( 7.686 -12.718 15.030) 21.136 5.281 ( 8.173 16.104 -8.223) 19.843 5.350 ( 0.442 2.014 -11.977) 12.153 5.522 ( 1.748 1.517 -8.153) 8.475 5.746 ( 0.003 -2.062 1.854) 2.773 5.852 ( -1.112 -5.985 0.484) 6.107 6.181 ( -3.975 -5.958 9.761) 12.106 6.844 ( -0.003 -14.297 -3.488) 14.717 7.022 ( -3.017 1.397 -1.525) 3.658 7.318 ( -6.250 -2.324 -6.532) 9.335 7.899 ( -3.212 4.616 -0.807) 5.681 8.005 ( -1.796 1.242 -4.960) 5.419 8.233 ( 2.469 8.507 2.205) 9.129 8.714 ( -0.647 1.675 -0.470) 1.856 9.002 ( -1.867 1.303 1.369) 2.657 9.092 ( -0.076 2.291 1.868) 2.957 9.173 ( -0.476 -1.303 0.171) 1.398 9.330 ( 2.073 1.007 1.387) 2.690 10.256 ( 13.585 0.095 0.695) 13.603 10.401 ( 4.567 1.232 -1.491) 4.960 10.491 ( -3.840 -1.663 6.933) 8.098 10.849 ( -17.126 -5.521 13.619) 22.567 11.828 ( -0.081 -1.538 -1.606) 2.225 11.935 ( -1.002 -3.910 3.028) 5.046 15.321 ( -9.810 12.601 -22.844) 27.873 16.149 ( -0.026 -9.219 -12.607) 15.618 16.998 ( 11.224 6.475 12.686) 18.134 17.459 ( -1.084 -1.326 3.003) 3.457 18.399 ( 0.127 3.209 -0.371) 3.233 18.511 ( 1.627 0.420 -0.260) 1.701 ======================= Grid point 120 (52/260) ======================= q-point: ( 0.10 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 5.369 22.969 8.157) 24.959 1.440 ( 12.825 17.312 12.508) 24.912 1.985 ( 3.016 3.359 4.286) 6.225 2.482 ( 13.673 3.465 14.385) 20.147 2.632 ( 11.609 2.331 11.147) 16.262 2.913 ( 3.428 4.846 9.732) 11.399 3.068 ( 17.059 9.024 3.502) 19.614 3.333 ( 7.720 -12.217 -3.053) 14.770 3.386 ( 15.240 -7.111 13.944) 21.847 3.703 ( -12.147 -1.122 -7.546) 14.344 4.187 ( -8.555 -8.517 -3.671) 12.618 4.682 ( 5.426 3.314 2.344) 6.776 5.099 ( -0.513 6.323 -1.031) 6.427 5.199 ( -1.884 -11.101 2.637) 11.564 5.334 ( 3.319 13.291 -7.719) 15.724 5.482 ( 3.675 -0.486 -4.624) 5.927 5.753 ( -1.855 -2.523 1.383) 3.424 5.878 ( 5.458 -11.574 -2.341) 13.008 6.219 ( -1.054 -8.298 6.895) 10.840 6.809 ( -1.235 -18.070 -4.285) 18.612 6.937 ( -2.119 5.476 -5.833) 8.276 7.125 ( -7.984 2.201 -6.602) 10.591 7.730 ( -11.714 7.955 -5.234) 15.096 7.917 ( -1.241 1.765 -7.428) 7.735 8.313 ( 2.496 3.393 1.932) 4.634 8.656 ( -4.090 1.726 -1.543) 4.700 8.881 ( -11.173 3.525 -0.597) 11.731 9.070 ( -3.347 0.302 4.986) 6.013 9.234 ( 4.842 -1.738 2.690) 5.805 9.399 ( 2.644 1.231 0.319) 2.934 10.220 ( -5.733 -4.150 -2.814) 7.616 10.423 ( -11.971 -2.284 12.295) 17.312 10.699 ( 14.394 -0.225 3.899) 14.914 10.953 ( 17.203 -1.154 5.332) 18.048 11.829 ( 3.115 -1.651 -3.196) 4.759 11.982 ( 2.118 -4.126 4.333) 6.347 14.917 ( -12.090 17.726 -19.367) 28.905 15.989 ( -2.583 -12.605 -16.786) 21.150 17.098 ( -10.218 4.966 14.913) 18.748 17.341 ( -12.969 2.389 1.639) 13.289 18.480 ( 8.331 2.697 0.375) 8.765 18.731 ( 19.246 -4.260 -2.366) 19.853 ======================= Grid point 121 (53/260) ======================= q-point: ( 0.20 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 16.616 14.323 12.263) 25.132 1.798 ( 11.845 11.664 16.074) 23.124 2.121 ( 7.161 -1.008 4.985) 8.784 2.794 ( 11.162 -1.685 2.247) 11.509 2.902 ( 5.286 -4.647 14.155) 15.808 2.995 ( 5.154 -0.574 -1.835) 5.501 3.380 ( 2.151 7.222 2.128) 7.830 3.454 ( 5.961 -11.501 -1.410) 13.031 3.562 ( 6.770 5.643 4.984) 10.124 3.752 ( 12.620 -1.199 10.872) 16.700 4.128 ( 6.153 -0.510 2.035) 6.501 4.713 ( -1.905 4.832 -2.367) 5.708 4.899 ( -9.091 10.010 -9.434) 16.488 5.229 ( -2.795 -12.509 3.906) 13.400 5.294 ( 0.658 11.433 -5.261) 12.602 5.640 ( 10.910 -1.121 3.625) 11.551 5.718 ( -3.503 -5.781 2.738) 7.294 5.955 ( 5.865 -13.737 -4.252) 15.530 6.267 ( 1.656 -9.112 3.297) 9.831 6.665 ( -8.693 -13.020 -8.006) 17.583 6.847 ( -1.570 0.726 -11.367) 11.498 6.979 ( -5.483 5.840 4.251) 9.069 7.461 ( -10.927 9.994 -7.467) 16.585 7.834 ( 0.022 0.634 -8.186) 8.211 8.305 ( -4.560 3.714 -0.585) 5.910 8.581 ( -2.746 0.611 -2.225) 3.586 8.695 ( -9.687 2.254 2.649) 10.292 9.031 ( -6.535 -2.861 4.162) 8.259 9.350 ( 3.948 -1.065 1.934) 4.524 9.437 ( 2.681 2.745 1.592) 4.155 10.083 ( -5.973 -3.723 -4.474) 8.340 10.365 ( -7.667 0.167 11.774) 14.052 10.943 ( 11.430 4.610 2.736) 12.625 11.344 ( 20.864 -6.177 2.028) 21.853 11.874 ( 6.256 -2.924 -4.963) 8.504 12.083 ( 3.700 -4.578 6.570) 8.821 14.594 ( -9.067 14.893 -10.257) 20.229 15.751 ( -6.452 -16.157 -17.632) 24.770 17.022 ( -11.995 5.488 10.767) 17.027 17.122 ( -12.529 5.760 2.817) 14.074 18.640 ( 8.973 2.480 0.229) 9.312 19.012 ( 15.773 -5.911 -3.884) 17.286 ======================= Grid point 122 (54/260) ======================= q-point: ( 0.30 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 15.760 7.876 9.415) 19.976 2.138 ( 11.373 8.163 16.783) 21.855 2.282 ( 4.504 -3.895 5.308) 7.977 2.886 ( 0.813 -8.963 -3.669) 9.719 3.006 ( -3.455 1.596 3.396) 5.100 3.093 ( 10.898 8.210 -4.062) 14.236 3.340 ( -13.290 -8.381 -2.996) 15.995 3.421 ( 4.235 1.628 5.066) 6.801 3.892 ( 20.347 -4.072 7.898) 22.203 4.110 ( 12.593 4.610 10.654) 17.127 4.255 ( 1.451 4.888 -7.274) 8.883 4.616 ( -0.199 3.750 -5.168) 6.388 4.751 ( -0.087 5.918 -1.054) 6.012 5.170 ( -3.796 -4.226 -1.451) 5.863 5.297 ( 1.179 2.327 -1.252) 2.893 5.651 ( -4.341 0.145 1.861) 4.725 5.856 ( 5.749 -2.980 5.628) 8.579 5.980 ( 0.751 -14.620 -2.419) 14.838 6.361 ( 5.943 -7.267 1.573) 9.518 6.414 ( -9.392 -3.324 -7.177) 12.279 6.685 ( -4.540 -0.233 -9.112) 10.183 6.962 ( -3.729 -1.353 3.819) 5.506 7.276 ( -4.024 11.430 -1.903) 12.266 7.772 ( 1.864 -1.018 -8.450) 8.713 8.177 ( -7.435 6.102 -1.971) 9.818 8.480 ( -6.893 -0.131 0.007) 6.895 8.632 ( -2.374 -0.437 2.898) 3.772 8.934 ( -7.064 -5.509 1.746) 9.127 9.363 ( -1.528 3.029 -0.138) 3.396 9.558 ( 6.849 0.597 3.292) 7.622 9.942 ( -5.224 -3.325 -4.598) 7.713 10.359 ( -4.565 2.008 8.789) 10.105 11.137 ( 9.058 7.456 0.123) 11.733 11.666 ( 13.457 -5.817 2.533) 14.877 11.946 ( 8.582 -4.729 -6.901) 11.984 12.223 ( 3.918 -5.391 8.684) 10.947 14.420 ( -4.537 8.176 -2.441) 9.663 15.464 ( -8.614 -17.911 -14.234) 24.446 16.869 ( -8.900 8.080 -1.872) 12.165 17.011 ( -8.545 5.142 9.520) 13.787 18.778 ( 6.640 2.527 0.157) 7.107 19.201 ( 10.405 -5.369 -3.559) 12.238 ======================= Grid point 123 (55/260) ======================= q-point: ( 0.40 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 7.548 4.307 3.662) 9.431 2.327 ( -0.614 -2.477 4.277) 4.981 2.545 ( 14.409 4.067 15.173) 21.316 2.795 ( -8.401 -5.087 -0.245) 9.824 2.866 ( -8.243 6.546 -9.381) 14.100 3.068 ( -9.213 -8.678 -5.262) 13.707 3.295 ( 12.801 7.410 -4.510) 15.463 3.556 ( 3.449 2.506 3.406) 5.457 4.037 ( -7.895 3.640 -11.294) 14.252 4.206 ( -0.691 0.971 4.641) 4.792 4.360 ( 14.080 -1.867 6.076) 15.448 4.711 ( 10.549 1.533 -3.802) 11.317 4.769 ( 4.866 -1.198 -5.409) 7.374 5.125 ( -1.930 -9.763 0.745) 9.980 5.265 ( -1.753 3.058 -2.730) 4.458 5.610 ( -5.023 3.605 5.281) 8.131 5.871 ( -6.521 -3.178 -5.228) 8.942 5.971 ( -0.215 3.564 6.741) 7.628 6.301 ( 3.129 -4.246 -2.160) 5.699 6.485 ( 1.820 -8.616 2.576) 9.176 6.571 ( 0.869 1.882 -2.700) 3.403 6.891 ( -3.883 -2.928 -3.048) 5.740 7.292 ( 0.550 6.553 9.112) 11.238 7.743 ( 3.807 -2.920 -8.539) 9.795 8.061 ( -3.402 7.407 -0.899) 8.200 8.370 ( -7.467 0.275 3.350) 8.189 8.618 ( -1.321 -0.719 0.330) 1.539 8.848 ( -3.536 -7.558 0.449) 8.356 9.327 ( -1.533 4.805 -1.253) 5.197 9.702 ( 5.929 0.973 3.290) 6.850 9.820 ( -4.294 -4.393 -3.884) 7.268 10.356 ( -3.909 3.042 5.774) 7.607 11.244 ( 4.608 9.219 -2.640) 10.640 11.835 ( 4.516 -3.968 1.122) 6.115 12.046 ( 9.105 -5.813 -5.573) 12.155 12.359 ( 1.040 -7.193 10.335) 12.635 14.371 ( -1.533 2.820 1.319) 3.470 15.254 ( -3.012 -17.069 -5.633) 18.225 16.713 ( -4.255 9.375 -7.290) 12.615 16.965 ( -6.272 4.149 7.444) 10.582 18.868 ( 3.481 2.707 0.383) 4.426 19.313 ( 5.999 -4.901 -2.490) 8.137 ======================= Grid point 124 (56/260) ======================= q-point: (-0.50 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -7.390 3.649 -4.197) 9.250 2.370 ( -3.309 -7.611 0.794) 8.337 2.481 ( -16.823 12.402 -4.015) 21.282 2.720 ( -1.668 -4.682 0.010) 4.970 2.924 ( 11.809 3.398 7.312) 14.299 2.954 ( 1.343 -10.308 -8.591) 13.486 3.351 ( -0.187 9.980 -8.408) 13.051 3.509 ( -4.408 2.622 -5.727) 7.688 3.971 ( 7.459 1.615 -4.144) 8.684 4.078 ( -10.524 -2.262 -7.365) 13.043 4.549 ( 3.984 1.359 6.112) 7.421 4.748 ( -1.454 -2.705 -8.326) 8.874 4.925 ( 6.233 0.016 4.494) 7.685 5.062 ( 0.812 -7.813 -3.041) 8.423 5.244 ( -1.890 -2.897 0.537) 3.500 5.495 ( -5.756 8.228 -2.293) 10.299 5.758 ( -1.584 5.646 -3.460) 6.808 6.075 ( 2.231 -1.339 8.963) 9.333 6.335 ( 1.225 -3.933 -1.213) 4.294 6.476 ( 0.313 -6.170 -1.916) 6.468 6.695 ( 6.656 2.360 9.197) 11.596 6.811 ( -2.453 -0.739 -0.438) 2.599 7.419 ( 1.605 0.986 13.079) 13.214 7.740 ( 4.939 -4.655 -9.014) 11.284 8.066 ( 3.913 7.125 1.428) 8.253 8.298 ( -5.015 2.866 4.928) 7.593 8.597 ( -0.228 -1.513 -1.640) 2.243 8.822 ( -0.352 -7.068 0.583) 7.100 9.295 ( -0.055 4.480 -2.431) 5.097 9.688 ( -5.293 1.032 -3.414) 6.383 9.852 ( 5.657 -4.151 3.862) 8.009 10.326 ( -4.266 3.417 2.859) 6.168 11.245 ( -0.332 9.841 -4.967) 11.028 11.877 ( 1.520 -3.391 -1.762) 4.113 12.119 ( 2.234 -6.412 -1.407) 6.935 12.422 ( -5.494 -9.708 10.362) 15.225 14.371 ( 0.230 4.162 2.203) 4.715 15.310 ( 9.288 -15.894 5.928) 19.340 16.584 ( -0.661 9.629 -11.767) 15.218 16.927 ( -4.185 3.098 3.836) 6.467 18.903 ( -0.036 3.033 0.718) 3.117 19.364 ( 1.996 -4.996 -1.446) 5.571 ======================= Grid point 125 (57/260) ======================= q-point: (-0.40 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -11.990 5.436 -6.509) 14.687 2.027 ( -20.925 8.405 -5.346) 23.175 2.323 ( -10.676 -2.288 -1.522) 11.024 2.698 ( 0.504 -7.767 -8.536) 11.552 2.883 ( 2.145 -5.075 -10.420) 11.788 3.091 ( 1.281 -0.348 1.474) 1.983 3.303 ( 2.181 11.370 -5.600) 12.860 3.385 ( -1.632 -6.002 -3.714) 7.245 3.797 ( -10.006 -4.143 -10.636) 15.179 4.052 ( 0.373 2.657 -1.928) 3.304 4.609 ( -2.334 1.837 -5.702) 6.429 4.685 ( 2.846 4.610 7.369) 9.146 4.736 ( -16.629 3.637 -2.751) 17.243 5.136 ( -3.467 -5.151 -3.808) 7.284 5.292 ( 11.042 -1.655 5.319) 12.367 5.485 ( 1.710 0.712 -2.336) 2.981 5.715 ( 1.834 6.805 -3.882) 8.046 6.089 ( -2.984 -11.793 -5.175) 13.219 6.365 ( -2.499 -2.090 3.171) 4.546 6.504 ( 6.801 1.907 2.080) 7.363 6.826 ( 1.240 0.092 6.341) 6.462 6.928 ( 7.034 -0.232 13.506) 15.230 7.569 ( 0.432 -0.518 14.856) 14.871 7.748 ( 6.702 -4.751 -10.185) 13.085 8.212 ( 10.393 5.475 2.252) 11.961 8.289 ( -1.718 5.480 5.206) 7.751 8.584 ( 0.643 -2.040 -1.683) 2.722 8.838 ( 1.575 -4.886 0.242) 5.139 9.273 ( 0.734 3.005 -4.640) 5.577 9.561 ( -5.814 1.549 -2.221) 6.413 9.983 ( 4.755 -3.025 4.370) 7.131 10.264 ( -4.347 3.270 0.403) 5.454 11.146 ( -4.893 9.435 -6.364) 12.388 11.872 ( 0.502 -2.935 -2.581) 3.941 12.082 ( -7.213 -9.829 1.885) 12.336 12.358 ( -11.436 -10.778 8.681) 17.953 14.467 ( 6.990 11.844 7.284) 15.562 15.630 ( 16.009 -15.104 12.180) 25.155 16.472 ( 2.312 9.316 -15.593) 18.311 16.894 ( -1.222 1.914 -0.457) 2.316 18.878 ( -3.748 3.451 0.899) 5.174 19.352 ( -2.259 -5.859 -0.969) 6.353 ======================= Grid point 126 (58/260) ======================= q-point: (-0.30 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -15.532 9.974 -4.770) 19.066 1.647 ( -20.413 13.792 0.030) 24.636 2.086 ( -8.948 -4.693 -6.903) 12.237 2.586 ( -3.023 -9.015 -11.630) 15.022 2.762 ( -3.561 0.371 -12.943) 13.429 3.039 ( -8.506 -3.666 -0.684) 9.288 3.274 ( 3.833 1.062 -4.981) 6.374 3.362 ( -1.269 -2.115 -8.592) 8.939 3.599 ( -6.028 -4.786 -5.027) 9.193 3.883 ( -15.441 5.909 4.899) 17.243 4.446 ( -13.941 -1.218 4.522) 14.707 4.657 ( 10.944 13.604 -7.164) 18.872 4.776 ( 2.896 1.416 0.779) 3.317 5.060 ( -1.141 -7.142 -3.990) 8.260 5.380 ( -0.187 -8.995 -10.323) 13.693 5.539 ( 3.797 3.199 10.524) 11.637 5.753 ( 3.692 6.880 -2.135) 8.094 5.956 ( -4.149 -9.035 -7.192) 12.271 6.302 ( -3.166 3.304 -2.154) 5.058 6.699 ( 7.553 -10.509 7.349) 14.883 6.936 ( 2.558 1.975 8.155) 8.772 7.166 ( 5.743 -1.676 13.453) 14.723 7.692 ( 0.266 -1.392 9.780) 9.882 7.806 ( 8.799 -1.744 -5.224) 10.381 8.308 ( 0.186 7.268 1.320) 7.389 8.452 ( 12.822 4.272 4.692) 14.306 8.591 ( 1.264 -1.690 -0.245) 2.125 8.877 ( 3.003 -2.383 -0.550) 3.873 9.210 ( -1.511 2.436 -8.168) 8.657 9.477 ( -3.002 2.093 1.415) 3.924 10.053 ( -0.631 1.811 -0.891) 2.114 10.224 ( 0.144 -0.347 2.862) 2.887 10.969 ( -8.472 8.191 -6.374) 13.398 11.853 ( -1.645 -3.261 0.504) 3.687 11.894 ( -15.923 -14.570 1.282) 21.620 12.224 ( -12.070 -8.723 7.554) 16.699 14.761 ( 15.175 19.024 14.900) 28.534 16.002 ( 13.038 -10.808 8.430) 18.918 16.389 ( 5.648 7.164 -15.393) 17.893 16.897 ( 5.134 0.419 -4.156) 6.618 18.790 ( -7.365 3.837 0.765) 8.340 19.259 ( -7.557 -7.537 -1.507) 10.779 ======================= Grid point 127 (59/260) ======================= q-point: (-0.20 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -15.555 15.679 -4.795) 22.600 1.371 ( -14.023 18.816 8.766) 25.051 1.945 ( -3.599 -5.953 -1.029) 7.032 2.371 ( -8.380 -5.576 -11.280) 15.118 2.614 ( -0.904 2.467 -10.303) 10.633 2.746 ( -21.766 19.230 -0.154) 29.045 3.186 ( -6.903 -10.022 -13.892) 18.468 3.315 ( -3.298 -7.852 -0.920) 8.566 3.349 ( -9.214 -5.572 -5.138) 11.930 3.833 ( 0.937 3.464 8.639) 9.354 4.389 ( -0.934 -7.780 11.298) 13.749 4.660 ( -3.663 7.056 -4.697) 9.235 4.912 ( 9.579 8.155 -7.972) 14.893 4.957 ( -0.380 -9.808 -7.394) 12.289 5.333 ( 5.844 -5.281 -6.705) 10.344 5.674 ( 0.319 -0.848 8.356) 8.405 5.724 ( -2.071 2.797 -7.213) 8.009 5.874 ( -0.114 -0.306 -1.496) 1.532 6.237 ( -3.717 2.004 0.744) 4.288 6.847 ( 2.649 -18.085 4.565) 18.840 7.032 ( 0.990 3.829 5.154) 6.497 7.357 ( 3.013 -3.534 10.171) 11.181 7.774 ( 5.053 -1.148 -0.643) 5.221 7.932 ( 5.359 0.797 3.992) 6.730 8.300 ( -1.666 9.293 -0.937) 9.488 8.626 ( 2.556 -1.137 1.220) 3.052 8.730 ( 13.883 3.750 4.318) 15.015 8.931 ( 3.712 0.890 0.058) 3.817 9.106 ( -0.975 2.653 -6.761) 7.328 9.462 ( -2.168 0.038 2.650) 3.424 9.978 ( -0.968 8.027 -6.874) 10.612 10.302 ( 2.472 -3.210 5.747) 7.032 10.753 ( -9.990 6.320 -5.019) 12.843 11.563 ( -26.082 -18.201 7.669) 32.717 11.841 ( 0.806 -1.955 -2.370) 3.177 12.090 ( -10.932 -6.717 6.457) 14.363 15.238 ( 19.260 17.962 19.885) 33.000 16.136 ( 8.265 4.317 -14.750) 17.450 16.419 ( 6.190 -0.227 -3.574) 7.151 17.041 ( 14.893 -2.405 -1.429) 15.154 18.643 ( -9.987 4.096 0.372) 10.801 19.050 ( -14.569 -8.639 -2.951) 17.193 ======================= Grid point 128 (60/260) ======================= q-point: (-0.10 0.25 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -5.068 22.537 -1.259) 23.134 1.305 ( -6.992 18.609 10.780) 22.614 1.924 ( 0.146 3.380 3.998) 5.237 2.149 ( -9.271 -3.891 -1.731) 10.202 2.312 ( -18.196 35.145 3.266) 39.711 2.695 ( 7.181 -0.658 4.914) 8.726 2.856 ( -11.888 1.840 -9.419) 15.278 3.140 ( -12.310 -3.612 -2.167) 13.011 3.288 ( 3.474 -17.569 -5.671) 18.786 4.012 ( 7.795 -10.752 5.848) 14.511 4.477 ( -4.033 5.373 -2.058) 7.026 4.578 ( 0.601 -8.341 4.075) 9.303 4.726 ( -6.415 -10.095 -1.585) 12.065 5.139 ( 15.741 11.598 -8.747) 21.420 5.396 ( 5.692 -0.941 -6.233) 8.493 5.586 ( -0.650 1.091 -10.880) 10.954 5.737 ( -0.952 -0.444 3.682) 3.829 5.868 ( -1.712 -0.280 2.183) 2.788 6.189 ( -5.273 -2.122 6.123) 8.355 6.876 ( -0.961 -17.133 -0.139) 17.161 7.060 ( -1.458 2.621 1.852) 3.525 7.423 ( -2.032 -4.937 1.062) 5.443 7.864 ( 5.799 1.246 -0.735) 5.977 8.028 ( 1.243 0.046 2.561) 2.847 8.240 ( -2.774 12.149 -1.699) 12.577 8.687 ( 2.823 0.359 0.948) 2.999 8.974 ( 6.546 2.005 2.684) 7.354 9.001 ( 4.525 4.467 2.099) 6.696 9.098 ( 5.787 -0.773 -1.766) 6.099 9.405 ( -7.240 -1.134 1.413) 7.464 9.990 ( 11.330 10.241 -5.203) 16.134 10.387 ( 0.916 -3.144 5.407) 6.321 10.557 ( -7.786 3.983 -2.619) 9.129 11.165 ( -29.294 -15.385 11.810) 35.133 11.838 ( 0.575 -1.861 -1.246) 2.312 11.976 ( -7.402 -4.845 4.198) 9.792 15.559 ( 1.832 6.564 -3.990) 7.897 16.187 ( 8.477 -0.017 -8.140) 11.752 16.569 ( 20.195 11.305 0.080) 23.144 17.314 ( 13.080 -3.383 2.884) 13.815 18.475 ( -8.516 4.138 -0.018) 9.468 18.721 ( -18.487 -4.866 -2.931) 19.340 ======================= Grid point 129 (61/260) ======================= q-point: ( 0.00 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -1.970 14.197 8.031) 16.430 1.648 ( 7.691 19.328 0.434) 20.807 1.882 ( -2.025 -8.226 12.051) 14.731 2.380 ( 5.919 13.799 0.647) 15.029 2.638 ( 8.067 -12.000 -0.316) 14.463 2.743 ( -5.081 6.517 0.599) 8.286 2.959 ( 7.296 -4.151 0.667) 8.421 3.001 ( 3.040 -0.673 6.648) 7.341 3.245 ( 1.467 23.610 12.638) 26.820 3.804 ( -3.175 -4.438 -0.804) 5.516 4.078 ( -8.262 -16.121 -4.156) 18.585 4.465 ( 7.756 -19.621 12.352) 24.448 4.834 ( 0.179 13.971 2.171) 14.140 5.390 ( 7.412 -1.241 -8.305) 11.201 5.507 ( -0.683 1.408 -9.788) 9.912 5.602 ( 8.847 7.158 -6.951) 13.335 5.701 ( -0.905 0.067 -1.987) 2.184 5.853 ( -7.441 6.351 0.837) 9.819 6.000 ( -6.051 -10.540 8.178) 14.648 6.450 ( 0.073 -18.265 -4.388) 18.785 7.111 ( -0.557 4.322 -3.212) 5.413 7.267 ( -2.586 -2.864 -4.624) 6.022 7.970 ( -1.347 2.073 1.504) 2.893 8.005 ( -2.319 -0.173 -2.413) 3.351 8.442 ( 0.256 9.485 -2.258) 9.753 8.706 ( 0.433 -2.467 -1.273) 2.810 9.043 ( -2.820 2.388 0.421) 3.720 9.133 ( 2.160 -0.800 -0.808) 2.441 9.169 ( -2.111 3.223 2.845) 4.789 9.329 ( 1.943 -1.539 2.627) 3.612 10.241 ( -0.172 -0.165 1.892) 1.907 10.344 ( -2.594 -4.239 6.465) 8.154 10.575 ( 3.081 6.288 -0.417) 7.014 10.776 ( -3.635 -2.894 6.814) 8.248 11.800 ( 0.109 -0.835 -1.052) 1.348 11.855 ( -0.390 -3.358 1.600) 3.740 15.548 ( -5.785 9.628 -18.039) 21.250 15.947 ( -2.355 -9.579 -14.455) 17.500 17.153 ( 6.295 7.604 10.127) 14.143 17.407 ( 1.246 -3.646 5.486) 6.704 18.461 ( -0.336 2.444 -0.615) 2.542 18.514 ( 0.660 -0.174 -0.537) 0.868 ======================= Grid point 130 (62/260) ======================= q-point: ( 0.10 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 4.057 17.173 8.197) 19.457 1.837 ( 9.919 19.536 6.515) 22.858 1.995 ( 1.814 -3.580 11.474) 12.156 2.569 ( 10.785 8.643 7.970) 15.954 2.703 ( 5.236 -3.619 -2.255) 6.752 2.763 ( -2.377 -8.550 7.466) 11.597 3.063 ( 9.285 -4.882 -1.199) 10.559 3.256 ( 9.901 -6.390 7.153) 13.785 3.493 ( 9.152 15.563 15.767) 23.970 3.751 ( 1.632 7.276 1.578) 7.622 3.990 ( -0.280 -8.024 0.149) 8.030 4.707 ( 8.166 -16.063 5.842) 18.943 4.886 ( 1.276 5.056 6.290) 8.171 5.337 ( -3.324 8.778 -8.912) 12.943 5.404 ( -4.620 -6.419 -3.813) 8.780 5.607 ( -2.470 8.906 -1.809) 9.417 5.681 ( 3.399 -7.274 -5.813) 9.913 5.794 ( 3.480 7.932 -5.234) 10.120 5.997 ( -1.207 -11.816 3.929) 12.510 6.407 ( 0.680 -17.636 -6.646) 18.859 7.051 ( -0.985 4.610 -7.558) 8.908 7.160 ( -4.837 0.319 -3.239) 5.831 7.861 ( -9.109 4.122 -3.175) 10.491 7.923 ( -3.756 -0.261 -4.077) 5.550 8.435 ( 0.899 6.907 -1.833) 7.203 8.658 ( -3.286 -1.885 -2.795) 4.708 8.947 ( -10.197 3.123 1.532) 10.774 9.064 ( -7.294 -1.393 4.440) 8.652 9.237 ( 5.119 2.464 1.675) 5.923 9.402 ( 2.968 -1.686 1.401) 3.690 10.164 ( -6.088 -0.380 -0.411) 6.114 10.325 ( -7.491 -5.723 10.137) 13.842 10.775 ( 16.361 5.433 0.345) 17.243 10.935 ( 13.143 -1.275 5.289) 14.225 11.801 ( 1.760 -0.578 -1.765) 2.559 11.889 ( 1.751 -4.281 2.814) 5.414 15.229 ( -9.682 12.602 -19.892) 25.461 15.726 ( -5.303 -11.999 -18.766) 22.897 17.213 ( -9.173 5.391 12.066) 16.087 17.359 ( -10.912 -0.718 5.472) 12.229 18.539 ( 8.928 2.808 -0.602) 9.378 18.657 ( 13.967 -2.947 -1.130) 14.319 ======================= Grid point 131 (63/260) ======================= q-point: ( 0.20 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 11.508 17.213 7.609) 22.059 2.082 ( 7.100 14.816 11.039) 19.794 2.141 ( 5.224 0.984 8.667) 10.168 2.745 ( 2.332 -9.854 3.289) 10.647 2.798 ( -1.039 1.216 6.371) 6.569 2.912 ( 15.291 -0.533 8.332) 17.421 3.209 ( 7.394 -9.589 2.472) 12.358 3.329 ( -1.270 -12.560 -3.006) 12.977 3.787 ( 9.241 12.495 10.123) 18.547 3.933 ( 10.828 17.049 5.446) 20.919 4.115 ( 12.262 -2.620 6.273) 14.020 4.770 ( -2.798 -7.224 -4.778) 9.102 4.930 ( -4.269 0.423 4.024) 5.881 5.194 ( -3.853 8.356 -6.840) 11.465 5.324 ( -3.032 -11.034 5.844) 12.849 5.571 ( -0.081 5.505 1.657) 5.749 5.702 ( 5.062 -9.699 -6.707) 12.833 5.821 ( 5.636 8.930 -7.923) 13.202 6.033 ( 2.010 -12.384 4.158) 13.217 6.343 ( 0.733 -14.661 -9.937) 17.727 6.924 ( -3.645 5.073 -10.543) 12.255 7.065 ( -4.702 1.237 -0.088) 4.862 7.650 ( -9.472 7.327 -4.956) 12.960 7.814 ( -3.430 -1.718 -5.465) 6.677 8.417 ( -1.888 5.396 -1.544) 5.922 8.570 ( -3.029 -1.745 -3.287) 4.798 8.756 ( -12.833 4.113 2.958) 13.796 8.962 ( -10.025 -3.811 4.525) 11.641 9.342 ( 4.468 0.885 1.765) 4.885 9.463 ( 3.032 -1.275 1.779) 3.740 10.059 ( -5.101 2.503 -1.137) 5.794 10.314 ( -4.530 -4.956 9.888) 11.952 11.063 ( 16.100 6.137 -0.039) 17.230 11.254 ( 17.895 -3.032 3.067) 18.407 11.826 ( 3.026 -0.960 -2.217) 3.872 11.965 ( 3.023 -6.011 4.831) 8.283 14.885 ( -10.436 12.776 -15.401) 22.568 15.430 ( -8.573 -14.062 -18.562) 24.815 17.129 ( -11.285 4.327 9.623) 15.449 17.200 ( -11.494 1.627 4.853) 12.583 18.704 ( 9.892 3.549 -0.707) 10.533 18.893 ( 13.786 -5.254 -1.966) 14.883 ======================= Grid point 132 (64/260) ======================= q-point: ( 0.30 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 8.042 9.264 3.370) 12.722 2.249 ( 1.273 0.538 6.977) 7.112 2.361 ( 11.181 12.480 11.409) 20.272 2.771 ( -2.048 -0.892 -1.122) 2.499 2.873 ( 2.265 -9.107 9.243) 13.173 3.128 ( -3.960 -8.565 -3.992) 10.246 3.281 ( 10.269 2.481 8.731) 13.705 3.455 ( 9.689 -2.400 1.997) 10.180 3.937 ( 7.551 10.642 2.546) 13.295 4.225 ( 10.757 7.267 8.362) 15.441 4.358 ( 6.406 3.026 -2.075) 7.382 4.571 ( -6.573 -9.128 -5.962) 12.731 4.843 ( -6.081 3.050 -1.361) 6.938 5.086 ( -2.694 2.504 -5.262) 6.420 5.343 ( -2.101 -5.865 3.006) 6.918 5.654 ( 6.047 -4.912 1.208) 7.883 5.700 ( -0.620 -2.194 0.276) 2.297 5.867 ( 6.261 3.978 -2.101) 7.709 6.168 ( 6.455 -9.609 7.675) 13.889 6.259 ( 1.486 -9.739 -11.193) 14.911 6.757 ( -4.416 6.601 -9.226) 12.173 6.974 ( -5.850 -0.237 -0.472) 5.874 7.486 ( -4.593 8.235 -3.365) 10.011 7.715 ( -1.824 -3.600 -5.654) 6.946 8.337 ( -5.158 7.735 -1.601) 9.434 8.482 ( -4.762 0.071 -1.996) 5.164 8.615 ( -6.174 -0.253 3.566) 7.134 8.811 ( -10.679 -6.197 2.801) 12.661 9.403 ( 1.370 1.403 0.560) 2.040 9.544 ( 3.832 -3.175 2.074) 5.391 9.972 ( -4.011 7.021 -0.523) 8.103 10.337 ( -2.786 -4.524 7.894) 9.516 11.309 ( 13.259 8.196 -2.530) 15.792 11.573 ( 14.926 -3.634 3.511) 15.758 11.858 ( 3.405 -2.075 -3.113) 5.058 12.074 ( 3.101 -8.173 6.455) 10.866 14.614 ( -7.659 10.000 -8.411) 15.146 15.121 ( -8.706 -14.465 -13.784) 21.795 17.005 ( -8.974 4.924 2.248) 10.480 17.085 ( -8.101 1.584 6.113) 10.272 18.849 ( 7.438 4.203 -0.581) 8.563 19.078 ( 9.794 -6.000 -2.075) 11.672 ======================= Grid point 133 (65/260) ======================= q-point: ( 0.40 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 3.447 1.234 -0.364) 3.679 2.273 ( -2.837 -1.986 4.216) 5.456 2.663 ( 6.862 6.347 2.343) 9.637 2.738 ( 3.953 2.144 4.242) 6.182 2.883 ( -6.367 -6.058 0.463) 8.800 3.008 ( -7.044 0.918 -0.720) 7.140 3.491 ( 6.883 8.326 -2.657) 11.125 3.600 ( 6.727 1.482 3.550) 7.749 4.106 ( -4.450 1.752 -2.062) 5.208 4.173 ( -0.844 -1.040 -8.012) 8.123 4.385 ( 4.396 2.245 5.535) 7.416 4.609 ( 2.289 -9.011 -0.893) 9.340 4.820 ( 8.741 3.384 -0.697) 9.399 4.995 ( -2.587 1.893 -4.178) 5.266 5.265 ( -5.801 -1.972 -3.031) 6.836 5.663 ( -0.722 -9.481 -1.943) 9.705 5.795 ( 3.877 5.301 2.828) 7.150 5.988 ( 3.995 -2.342 5.756) 7.387 6.227 ( 4.035 -2.876 -3.984) 6.358 6.313 ( 0.454 -5.989 4.837) 7.712 6.655 ( 2.011 6.138 -3.086) 7.158 6.867 ( -5.019 -0.709 -0.585) 5.102 7.428 ( -0.271 5.926 -0.739) 5.978 7.651 ( 0.334 -5.049 -5.459) 7.444 8.241 ( -3.693 8.927 -0.651) 9.682 8.402 ( -3.843 2.502 1.734) 4.903 8.570 ( -2.921 -3.398 0.976) 4.586 8.684 ( -5.867 -7.792 2.961) 10.194 9.407 ( -0.281 2.830 -1.244) 3.104 9.610 ( 1.753 -6.999 0.528) 7.234 9.922 ( -1.914 11.311 1.516) 11.572 10.351 ( -2.851 -4.094 5.256) 7.247 11.457 ( 7.717 10.204 -5.052) 13.755 11.801 ( 4.875 0.271 6.018) 7.749 11.892 ( 6.346 -6.940 -5.937) 11.122 12.170 ( 0.186 -10.136 6.904) 12.265 14.480 ( -2.364 7.295 -1.588) 7.831 14.928 ( -2.251 -13.611 -4.507) 14.513 16.878 ( -5.346 6.237 -3.032) 8.756 17.013 ( -5.654 0.291 3.498) 6.655 18.946 ( 4.105 4.649 -0.057) 6.202 19.193 ( 5.545 -6.156 -1.470) 8.414 ======================= Grid point 134 (66/260) ======================= q-point: (-0.50 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -3.283 0.775 -4.940) 5.982 2.254 ( -3.781 -3.539 1.819) 5.489 2.596 ( -6.580 0.974 -5.950) 8.924 2.751 ( -4.506 -6.348 -10.303) 12.913 2.821 ( -6.630 9.489 2.474) 11.837 2.991 ( 6.394 2.160 6.366) 9.278 3.509 ( 0.382 3.051 -7.801) 8.385 3.577 ( -10.119 2.576 -4.223) 11.263 3.972 ( -1.245 1.333 -7.251) 7.476 4.077 ( 1.599 -0.289 -8.433) 8.588 4.565 ( 4.057 0.251 11.180) 11.896 4.662 ( 1.582 -4.705 0.071) 4.965 4.875 ( -3.629 -2.404 -4.796) 6.477 5.017 ( 8.472 0.984 0.550) 8.547 5.195 ( 1.679 1.537 -0.311) 2.298 5.603 ( -2.406 -1.704 -3.145) 4.311 5.851 ( 2.228 3.874 -0.681) 4.520 5.997 ( -9.134 -2.970 3.441) 10.202 6.271 ( -1.384 -2.827 2.214) 3.849 6.343 ( 4.868 -5.808 0.790) 7.619 6.766 ( 6.098 3.860 6.860) 9.958 6.832 ( 1.050 1.924 1.525) 2.670 7.457 ( 2.756 2.554 2.368) 4.441 7.626 ( 2.665 -5.443 -5.526) 8.201 8.227 ( 2.392 7.707 0.728) 8.103 8.385 ( -1.747 5.082 4.824) 7.221 8.527 ( -0.775 -4.685 -1.694) 5.042 8.671 ( -0.743 -7.113 4.856) 8.645 9.378 ( -0.710 3.373 -2.926) 4.521 9.603 ( -1.870 -7.095 -1.432) 7.476 9.941 ( 1.042 10.534 3.943) 11.296 10.332 ( -3.596 -3.345 2.766) 5.637 11.479 ( 1.217 11.675 -6.779) 13.555 11.849 ( -0.909 1.523 1.832) 2.550 11.950 ( 2.319 -9.322 -3.150) 10.110 12.187 ( -5.607 -11.575 6.576) 14.445 14.510 ( 4.627 8.671 4.602) 10.852 14.995 ( 8.654 -13.742 6.720) 17.575 16.763 ( -2.124 7.214 -7.916) 10.919 16.949 ( -3.415 -1.028 -0.545) 3.607 18.988 ( 0.404 4.929 0.599) 4.982 19.242 ( 1.258 -6.245 -0.706) 6.410 ======================= Grid point 135 (67/260) ======================= q-point: (-0.40 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -5.608 6.108 -8.321) 11.747 2.146 ( -9.406 2.626 -1.802) 9.930 2.352 ( -14.595 2.040 -4.749) 15.484 2.526 ( -3.620 -9.268 -16.847) 19.565 2.810 ( -0.843 4.402 3.516) 5.696 3.089 ( 1.097 -1.031 -3.949) 4.226 3.284 ( -10.950 -3.247 -7.780) 13.820 3.424 ( -3.878 -4.345 -4.473) 7.344 3.852 ( -2.206 11.438 -5.784) 13.006 4.107 ( 0.823 1.501 -5.960) 6.201 4.605 ( 1.421 -1.923 -0.976) 2.582 4.696 ( -10.146 -3.219 1.337) 10.728 4.767 ( 2.318 3.188 3.412) 5.213 5.095 ( 1.835 -11.135 -8.464) 14.106 5.284 ( 2.572 10.407 7.390) 13.021 5.562 ( -0.123 5.534 -2.038) 5.899 5.847 ( -4.034 -3.435 -1.294) 5.454 5.890 ( 1.056 2.037 1.173) 2.577 6.232 ( -6.407 -7.602 6.092) 11.660 6.438 ( 4.803 -7.658 -0.830) 9.078 6.902 ( 3.843 4.791 3.426) 7.033 6.956 ( 6.512 2.331 9.045) 11.387 7.559 ( 3.714 -0.027 6.324) 7.334 7.647 ( 6.409 -4.386 -6.069) 9.856 8.330 ( 8.349 5.371 0.205) 9.929 8.427 ( 0.060 7.207 7.504) 10.405 8.523 ( 2.038 -3.473 -1.909) 4.456 8.728 ( 1.825 -5.745 4.902) 7.769 9.332 ( -0.894 3.040 -4.095) 5.178 9.537 ( -3.666 -4.339 -1.471) 5.868 10.015 ( 2.339 6.158 4.943) 8.236 10.281 ( -4.176 -2.055 1.038) 4.769 11.377 ( -5.172 11.909 -7.528) 15.008 11.839 ( -2.953 0.708 2.955) 4.238 11.871 ( -6.669 -10.371 -5.482) 13.494 12.118 ( -8.329 -11.018 6.320) 15.189 14.733 ( 12.354 12.976 11.502) 21.291 15.313 ( 15.587 -14.515 14.163) 25.578 16.659 ( 1.105 7.984 -12.719) 15.058 16.888 ( -0.368 -2.305 -5.121) 5.628 18.969 ( -3.570 5.003 1.009) 6.229 19.220 ( -3.422 -6.377 -0.356) 7.246 ======================= Grid point 136 (68/260) ======================= q-point: (-0.30 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -8.149 11.154 -8.484) 16.211 1.918 ( -13.146 8.616 -2.674) 15.944 2.033 ( -12.345 -0.801 -7.598) 14.518 2.399 ( 2.196 -10.251 -10.286) 14.687 2.750 ( -5.567 2.025 -9.399) 11.110 2.970 ( -6.550 1.448 -0.158) 6.710 3.087 ( -2.180 -8.680 -8.625) 12.429 3.416 ( -0.768 -10.757 2.601) 11.094 3.712 ( -7.385 18.539 -8.614) 21.735 3.955 ( -11.345 2.665 -1.014) 11.698 4.453 ( -16.355 -0.187 2.596) 16.561 4.714 ( 9.190 -5.113 -2.348) 10.775 4.848 ( 1.444 2.506 1.263) 3.156 4.989 ( -0.073 -8.739 -11.976) 14.826 5.310 ( -2.704 12.944 3.048) 13.570 5.596 ( 3.203 2.942 2.961) 5.261 5.780 ( -1.137 -5.688 -5.113) 7.732 5.966 ( 3.466 7.427 3.094) 8.760 6.184 ( -7.503 -11.901 9.042) 16.724 6.488 ( 2.930 -8.323 -2.308) 9.120 7.007 ( 4.134 3.874 3.694) 6.763 7.141 ( 5.487 -1.199 7.560) 9.418 7.670 ( 4.526 -0.079 2.759) 5.301 7.755 ( 8.985 -2.916 -0.081) 9.447 8.446 ( 3.546 4.759 -0.146) 5.936 8.553 ( 3.583 1.033 1.300) 3.949 8.568 ( 8.249 4.176 4.985) 10.504 8.818 ( 4.084 -3.568 3.538) 6.475 9.268 ( -1.840 3.523 -4.719) 6.170 9.468 ( -3.324 -3.153 0.058) 4.582 10.097 ( 1.695 3.039 3.794) 5.148 10.222 ( -3.257 -0.850 1.490) 3.681 11.173 ( -10.362 10.619 -6.834) 16.336 11.620 ( -17.712 -10.635 -0.321) 20.662 11.825 ( -0.069 -0.179 -1.666) 1.677 12.032 ( -7.974 -8.823 5.469) 13.090 15.123 ( 16.713 15.539 16.791) 28.332 15.730 ( 14.639 -13.658 15.736) 25.465 16.576 ( 5.553 9.001 -16.431) 19.540 16.859 ( 5.392 -3.704 -8.815) 10.977 18.882 ( -7.529 4.751 0.968) 8.955 19.112 ( -8.653 -6.266 -0.675) 10.705 ======================= Grid point 137 (69/260) ======================= q-point: (-0.20 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -9.241 10.915 -4.542) 15.006 1.694 ( -9.327 8.330 -0.917) 12.539 1.872 ( -2.956 2.090 -1.699) 3.999 2.357 ( 1.265 0.822 -7.159) 7.317 2.565 ( -2.235 -3.618 -8.769) 9.746 2.847 ( -3.735 -9.017 -4.065) 10.573 3.077 ( 0.471 0.668 1.412) 1.631 3.255 ( -13.255 -2.660 -7.628) 15.523 3.463 ( -15.231 18.204 -3.722) 24.026 3.847 ( -2.982 -0.618 5.169) 6.000 4.241 ( -10.967 -5.624 6.743) 14.049 4.641 ( -11.717 -17.640 -7.947) 22.619 4.840 ( 0.834 8.860 -1.005) 8.956 5.066 ( 15.679 1.122 -7.244) 17.308 5.349 ( 6.463 10.774 -1.284) 12.630 5.658 ( 0.110 0.068 0.867) 0.876 5.715 ( -0.137 -1.964 -4.207) 4.645 6.019 ( -0.851 9.933 2.382) 10.250 6.126 ( -8.856 -13.726 8.791) 18.550 6.503 ( 1.095 -12.220 -1.989) 12.430 7.096 ( 2.564 2.836 2.241) 4.432 7.272 ( 3.355 -4.438 3.723) 6.694 7.785 ( 6.941 2.031 0.642) 7.261 7.914 ( 6.809 -2.357 3.165) 7.870 8.473 ( 0.241 6.685 -0.185) 6.692 8.612 ( 3.672 -0.564 -0.009) 3.715 8.806 ( 12.035 3.504 4.469) 13.307 8.932 ( 5.848 -1.178 2.436) 6.444 9.189 ( -2.464 5.150 -3.641) 6.772 9.419 ( -3.363 -3.805 0.992) 5.174 10.113 ( -0.059 4.626 -0.920) 4.717 10.239 ( 0.620 -2.670 6.130) 6.715 10.914 ( -12.800 8.456 -4.964) 16.124 11.281 ( -21.361 -9.859 1.324) 23.564 11.811 ( 0.024 -0.444 -1.115) 1.200 11.947 ( -6.759 -6.327 3.986) 10.080 15.548 ( 12.706 12.522 14.336) 22.886 16.024 ( 5.819 -9.916 6.565) 13.240 16.588 ( 13.757 11.079 -13.594) 22.289 16.956 ( 14.562 -5.599 -5.693) 16.608 18.732 ( -10.439 4.122 0.563) 11.238 18.910 ( -13.464 -5.050 -1.265) 14.435 ======================= Grid point 138 (70/260) ======================= q-point: (-0.10 0.38 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.249 14.396 1.867) 14.519 1.600 ( -2.555 9.365 2.271) 9.969 1.846 ( -2.740 -1.567 5.378) 6.236 2.326 ( 1.694 12.807 -2.260) 13.115 2.542 ( 5.008 -11.057 -4.588) 12.976 2.801 ( 1.809 -4.935 -0.288) 5.264 2.938 ( -11.787 5.823 -5.415) 14.219 3.060 ( -5.640 -2.812 -0.069) 6.302 3.229 ( -9.218 23.463 4.957) 25.691 3.835 ( -2.330 -3.854 2.089) 4.965 4.259 ( 1.334 -16.268 12.447) 20.527 4.336 ( -13.030 -17.732 -8.254) 23.502 4.832 ( -1.029 14.550 0.553) 14.596 5.269 ( 14.611 -1.048 -7.998) 16.689 5.478 ( 10.945 8.649 -5.335) 14.935 5.602 ( -0.616 1.157 -7.802) 7.911 5.714 ( 0.308 -1.270 -0.127) 1.313 5.973 ( -7.142 8.384 2.922) 11.395 6.053 ( -8.524 -11.351 8.525) 16.558 6.487 ( -0.301 -16.257 -2.800) 16.499 7.129 ( 0.377 3.306 -0.243) 3.336 7.316 ( 0.432 -5.156 -1.293) 5.333 7.908 ( 5.469 2.737 1.691) 6.345 8.017 ( 2.030 -1.334 1.415) 2.811 8.462 ( -0.387 8.670 -1.419) 8.793 8.674 ( 3.423 -1.709 -0.279) 3.836 9.016 ( 6.601 1.764 1.622) 7.023 9.070 ( 8.115 -0.531 1.922) 8.357 9.127 ( -1.541 5.758 -0.986) 6.042 9.358 ( -4.983 -3.451 1.427) 6.227 10.145 ( 4.990 5.051 0.198) 7.103 10.312 ( 0.389 -3.757 6.300) 7.345 10.670 ( -10.297 6.340 -2.541) 12.357 10.945 ( -19.331 -7.245 4.423) 21.112 11.805 ( 0.233 -0.872 -0.765) 1.183 11.879 ( -4.230 -4.108 2.223) 6.302 15.713 ( 0.821 7.837 -4.965) 9.313 16.065 ( 0.087 -8.099 -6.042) 10.105 16.838 ( 20.246 12.004 0.966) 23.557 17.217 ( 14.676 -5.856 2.275) 15.964 18.555 ( -9.292 3.252 0.020) 9.845 18.655 ( -13.326 -2.100 -1.172) 13.542 ======================= Grid point 139 (71/260) ======================= q-point: ( 0.00 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.918 -5.165 11.439) 12.584 1.714 ( 0.918 5.165 11.439) 12.584 2.146 ( 6.138 -22.445 -2.748) 23.431 2.146 ( 6.138 22.445 -2.748) 23.431 2.734 ( 1.586 -10.348 4.478) 11.387 2.734 ( 1.586 10.348 4.478) 11.387 2.948 ( 3.505 -4.626 1.717) 6.053 2.948 ( 3.505 4.626 1.717) 6.053 3.696 ( -5.416 -14.010 -0.191) 15.021 3.696 ( -5.416 14.010 -0.191) 15.021 4.014 ( 4.047 -18.829 10.248) 21.815 4.014 ( 4.047 18.829 10.248) 21.815 5.181 ( 2.370 -16.096 -3.266) 16.594 5.181 ( 2.370 16.096 -3.266) 16.594 5.584 ( 0.620 -4.349 -6.016) 7.449 5.584 ( 0.620 4.349 -6.016) 7.449 5.798 ( -1.053 -6.695 2.144) 7.108 5.798 ( -1.053 6.695 2.144) 7.108 6.106 ( -2.274 -14.609 -4.080) 15.338 6.106 ( -2.274 14.609 -4.080) 15.338 7.196 ( -0.442 -3.755 -3.638) 5.247 7.196 ( -0.442 3.755 -3.638) 5.247 7.998 ( -1.808 -0.754 -0.163) 1.966 7.998 ( -1.808 0.754 -0.163) 1.966 8.612 ( 0.430 -6.339 -2.190) 6.720 8.612 ( 0.430 6.339 -2.190) 6.720 9.094 ( -2.095 -2.276 -0.459) 3.127 9.094 ( -2.095 2.276 -0.459) 3.127 9.262 ( 1.558 -4.412 2.993) 5.554 9.262 ( 1.558 4.412 2.993) 5.554 10.268 ( -3.386 -2.626 3.897) 5.792 10.268 ( -3.386 2.626 3.897) 5.792 10.697 ( 1.420 -4.808 2.994) 5.839 10.697 ( 1.420 4.808 2.994) 5.839 11.803 ( -0.018 -1.324 0.092) 1.328 11.803 ( -0.018 1.324 0.092) 1.328 15.747 ( -3.868 -9.312 -16.024) 18.933 15.747 ( -3.868 9.312 -16.024) 18.933 17.302 ( 3.512 -6.153 7.749) 10.499 17.302 ( 3.512 6.153 7.749) 10.499 18.500 ( -0.099 -1.240 -0.689) 1.422 18.500 ( -0.099 1.240 -0.689) 1.422 ======================= Grid point 141 (72/260) ======================= q-point: ( 0.10 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 4.772 -7.110 12.545) 15.188 1.868 ( 4.772 7.110 12.545) 15.188 2.287 ( 8.531 -21.461 2.081) 23.188 2.287 ( 8.531 21.461 2.081) 23.188 2.782 ( 1.202 -6.232 7.195) 9.594 2.782 ( 1.202 6.232 7.195) 9.594 3.066 ( 4.237 -8.404 -0.512) 9.426 3.066 ( 4.237 8.404 -0.512) 9.426 3.716 ( 5.671 -8.452 7.525) 12.658 3.716 ( 5.671 8.452 7.525) 12.658 4.224 ( 8.892 -23.728 7.767) 26.503 4.224 ( 8.892 23.728 7.767) 26.503 5.164 ( -2.039 -14.895 -1.142) 15.077 5.164 ( -2.039 14.895 -1.142) 15.077 5.517 ( -1.627 -7.416 -6.955) 10.297 5.517 ( -1.627 7.416 -6.955) 10.297 5.769 ( -3.002 -7.945 2.145) 8.760 5.769 ( -3.002 7.945 2.145) 8.760 6.069 ( 3.875 -14.729 -8.322) 17.356 6.069 ( 3.875 14.729 -8.322) 17.356 7.131 ( -2.098 -2.832 -5.346) 6.403 7.131 ( -2.098 2.832 -5.346) 6.403 7.912 ( -6.276 -1.103 -2.294) 6.773 7.912 ( -6.276 1.103 -2.294) 6.773 8.574 ( -1.463 -5.711 -3.521) 6.866 8.574 ( -1.463 5.711 -3.521) 6.866 9.014 ( -8.470 -3.014 3.420) 9.619 9.014 ( -8.470 3.014 3.420) 9.619 9.325 ( 3.125 -4.888 1.411) 5.971 9.325 ( 3.125 4.888 1.411) 5.971 10.211 ( -5.624 -4.408 4.158) 8.267 10.211 ( -5.624 4.408 4.158) 8.267 10.881 ( 14.122 -3.937 3.105) 14.986 10.881 ( 14.122 3.937 3.105) 14.986 11.817 ( 1.284 -2.173 0.453) 2.564 11.817 ( 1.284 2.173 0.453) 2.564 15.480 ( -7.464 -11.412 -19.679) 23.942 15.480 ( -7.464 11.412 -19.679) 23.942 17.311 ( -9.664 -3.638 8.877) 13.617 17.311 ( -9.664 3.638 8.877) 13.617 18.598 ( 10.709 -2.715 -0.987) 11.092 18.598 ( 10.709 2.715 -0.987) 11.092 ======================= Grid point 143 (73/260) ======================= q-point: ( 0.20 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 7.608 -5.835 8.723) 12.963 2.092 ( 7.608 5.835 8.723) 12.963 2.432 ( 4.175 -16.737 8.442) 19.205 2.432 ( 4.175 16.737 8.442) 19.205 2.942 ( 4.134 -5.332 5.847) 8.928 2.942 ( 4.134 5.332 5.847) 8.928 3.078 ( 4.819 -3.907 -0.036) 6.204 3.078 ( 4.819 3.907 -0.036) 6.204 3.984 ( 12.326 -7.975 10.506) 18.053 3.984 ( 12.326 7.975 10.506) 18.053 4.399 ( 5.399 -22.429 0.378) 23.073 4.399 ( 5.399 22.429 0.378) 23.073 5.081 ( -7.071 -9.287 0.644) 11.690 5.081 ( -7.071 9.287 0.644) 11.690 5.431 ( -0.467 -11.390 -5.429) 12.626 5.431 ( -0.467 11.390 -5.429) 12.626 5.782 ( 1.714 -10.531 3.855) 11.345 5.782 ( 1.714 10.531 3.855) 11.345 6.058 ( 4.909 -12.481 -10.602) 17.096 6.058 ( 4.909 12.481 -10.602) 17.096 7.029 ( -3.514 -4.066 -6.106) 8.134 7.029 ( -3.514 4.066 -6.106) 8.134 7.764 ( -6.962 -3.460 -3.735) 8.625 7.764 ( -6.962 3.460 -3.735) 8.625 8.511 ( -1.839 -3.635 -3.329) 5.261 8.511 ( -1.839 3.635 -3.329) 5.261 8.864 ( -12.768 -5.346 4.191) 14.463 8.864 ( -12.768 5.346 4.191) 14.463 9.396 ( 3.406 -3.840 1.354) 5.308 9.396 ( 3.406 3.840 1.354) 5.308 10.176 ( -3.277 -7.191 4.618) 9.153 10.176 ( -3.277 7.191 4.618) 9.153 11.180 ( 17.189 -4.514 1.265) 17.817 11.180 ( 17.189 4.514 1.265) 17.817 11.855 ( 1.923 -3.735 1.613) 4.501 11.855 ( 1.923 3.735 1.613) 4.501 15.150 ( -9.889 -12.527 -17.835) 23.933 15.150 ( -9.889 12.527 -17.835) 23.933 17.196 ( -11.215 -1.829 7.361) 13.539 17.196 ( -11.215 1.829 7.361) 13.539 18.790 ( 11.597 -4.464 -1.296) 12.493 18.790 ( 11.597 4.464 -1.296) 12.493 ======================= Grid point 145 (74/260) ======================= q-point: ( 0.30 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 1.306 -3.883 2.763) 4.942 2.218 ( 1.306 3.883 2.763) 4.942 2.649 ( 9.099 -12.190 11.626) 19.145 2.649 ( 9.099 12.190 11.626) 19.145 2.889 ( -5.427 -11.148 -1.641) 12.507 2.889 ( -5.427 11.148 -1.641) 12.507 3.358 ( 15.338 -4.805 7.496) 17.735 3.358 ( 15.338 4.805 7.496) 17.735 4.210 ( 1.912 -12.486 5.166) 13.647 4.210 ( 1.912 12.486 5.166) 13.647 4.418 ( 1.938 -5.314 -5.223) 7.699 4.418 ( 1.938 5.314 -5.223) 7.699 4.974 ( -3.886 -10.413 -0.246) 11.117 4.974 ( -3.886 10.413 -0.246) 11.117 5.398 ( 0.969 -11.630 -4.204) 12.405 5.398 ( 0.969 11.630 -4.204) 12.405 5.874 ( 2.027 -8.085 4.949) 9.694 5.874 ( 2.027 8.085 4.949) 9.694 6.077 ( 7.783 -5.434 -4.963) 10.712 6.077 ( 7.783 5.434 -4.963) 10.712 6.904 ( -4.352 -6.032 -5.736) 9.393 6.904 ( -4.352 6.032 -5.736) 9.393 7.626 ( -4.336 -5.109 -4.160) 7.887 7.626 ( -4.336 5.109 -4.160) 7.887 8.455 ( -1.605 -3.156 -2.386) 4.269 8.455 ( -1.605 3.156 -2.386) 4.269 8.676 ( -12.452 -5.870 3.825) 14.288 8.676 ( -12.452 5.870 3.825) 14.288 9.456 ( 2.146 -3.840 0.888) 4.487 9.456 ( 2.146 3.840 0.888) 4.487 10.174 ( -2.019 -10.010 4.443) 11.136 10.174 ( -2.019 10.010 4.443) 11.136 11.468 ( 15.394 -6.508 -1.094) 16.749 11.468 ( 15.394 6.508 -1.094) 16.749 11.908 ( 1.478 -6.353 3.241) 7.283 11.908 ( 1.478 6.353 3.241) 7.283 14.844 ( -8.592 -11.787 -11.922) 18.838 14.844 ( -8.592 11.787 -11.922) 18.838 17.079 ( -8.539 -1.985 4.288) 9.759 17.079 ( -8.539 1.985 4.288) 9.759 18.954 ( 8.627 -5.527 -1.239) 10.321 18.954 ( 8.627 5.527 -1.239) 10.321 ======================= Grid point 147 (75/260) ======================= q-point: ( 0.40 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -1.226 -2.087 0.566) 2.486 2.229 ( -1.226 2.087 0.566) 2.486 2.760 ( -4.419 -4.283 -1.138) 6.259 2.760 ( -4.419 4.283 -1.138) 6.259 2.910 ( 6.616 -8.712 5.030) 12.040 2.910 ( 6.616 8.712 5.030) 12.040 3.604 ( 5.159 -1.995 2.623) 6.121 3.604 ( 5.159 1.995 2.623) 6.121 4.143 ( -5.530 -2.837 -5.841) 8.529 4.143 ( -5.530 2.837 -5.841) 8.529 4.444 ( 3.952 -4.592 1.852) 6.335 4.444 ( 3.952 4.592 1.852) 6.335 4.957 ( 0.469 -7.681 -0.315) 7.701 4.957 ( 0.469 7.681 -0.315) 7.701 5.377 ( 2.080 -13.233 -5.213) 14.373 5.377 ( 2.080 13.233 -5.213) 14.373 5.919 ( 1.144 -4.272 1.628) 4.712 5.919 ( 1.144 4.272 1.628) 4.712 6.218 ( 5.001 -2.596 4.634) 7.295 6.218 ( 5.001 2.596 4.634) 7.295 6.799 ( -1.737 -5.932 -2.943) 6.846 6.799 ( -1.737 5.932 -2.943) 6.846 7.544 ( -0.798 -5.102 -4.084) 6.584 7.544 ( -0.798 5.102 -4.084) 6.584 8.408 ( -1.666 -5.230 -1.751) 5.762 8.408 ( -1.666 5.230 -1.751) 5.762 8.542 ( -6.914 -3.951 4.877) 9.338 8.542 ( -6.914 3.951 4.877) 9.338 9.481 ( 0.451 -4.711 -0.456) 4.754 9.481 ( 0.451 4.711 -0.456) 4.754 10.181 ( -1.781 -11.328 3.773) 12.072 10.181 ( -1.781 11.328 3.773) 12.072 11.665 ( 9.764 -9.479 -4.038) 14.195 11.665 ( 9.764 9.479 -4.038) 14.195 11.957 ( -0.425 -8.963 4.810) 10.181 11.957 ( -0.425 8.963 4.810) 10.181 14.672 ( -2.280 -10.609 -3.309) 11.345 14.672 ( -2.280 10.609 -3.309) 11.345 16.979 ( -5.590 -3.317 0.285) 6.507 16.979 ( -5.590 3.317 0.285) 6.507 19.061 ( 4.859 -6.029 -0.661) 7.771 19.061 ( 4.859 6.029 -0.661) 7.771 ======================= Grid point 149 (76/260) ======================= q-point: (-0.50 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -1.867 -2.160 -1.671) 3.308 2.196 ( -1.867 2.160 -1.671) 3.308 2.642 ( -6.053 -3.608 -7.469) 10.268 2.642 ( -6.053 3.608 -7.469) 10.268 2.983 ( -1.083 -3.857 2.517) 4.732 2.983 ( -1.083 3.857 2.517) 4.732 3.562 ( -7.768 -2.698 -6.089) 10.232 3.562 ( -7.768 2.698 -6.089) 10.232 4.033 ( 2.281 -3.251 -6.336) 7.477 4.033 ( 2.281 3.251 -6.336) 7.477 4.585 ( 4.346 -2.221 7.229) 8.722 4.585 ( 4.346 2.221 7.229) 8.722 4.923 ( -2.247 -5.775 -3.861) 7.301 4.923 ( -2.247 5.775 -3.861) 7.301 5.405 ( 5.707 -13.464 -2.110) 14.775 5.405 ( 5.707 13.464 -2.110) 14.775 5.947 ( -2.845 -3.904 4.737) 6.766 5.947 ( -2.845 3.904 4.737) 6.766 6.250 ( -2.226 -2.162 -0.235) 3.112 6.250 ( -2.226 2.162 -0.235) 3.112 6.837 ( 5.012 -2.015 3.744) 6.572 6.837 ( 5.012 2.015 3.744) 6.572 7.525 ( 2.632 -3.928 -3.220) 5.721 7.525 ( 2.632 3.928 -3.220) 5.721 8.386 ( 1.299 -6.783 -1.126) 6.998 8.386 ( 1.299 6.783 -1.126) 6.998 8.525 ( -1.764 -6.311 6.542) 9.259 8.525 ( -1.764 6.311 6.542) 9.259 9.465 ( -0.932 -5.331 -1.800) 5.703 9.465 ( -0.932 5.331 -1.800) 5.703 10.181 ( -1.836 -10.356 3.132) 10.974 10.181 ( -1.836 10.356 3.132) 10.974 11.724 ( 2.811 -11.178 -6.642) 13.303 11.724 ( 2.811 11.178 -6.642) 13.303 11.965 ( -4.370 -8.534 5.360) 10.984 11.965 ( -4.370 8.534 5.360) 10.984 14.727 ( 7.193 -11.511 6.147) 14.900 14.727 ( 7.193 11.511 6.147) 14.900 16.888 ( -2.871 -4.509 -4.297) 6.858 16.888 ( -2.871 4.509 -4.297) 6.858 19.108 ( 0.792 -6.187 0.076) 6.238 19.108 ( 0.792 6.187 0.076) 6.238 ======================= Grid point 151 (77/260) ======================= q-point: (-0.40 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -1.120 -3.800 -3.760) 5.462 2.143 ( -1.120 3.800 -3.760) 5.462 2.376 ( -12.494 -2.897 -13.559) 18.664 2.376 ( -12.494 2.897 -13.559) 18.664 2.996 ( -0.466 -8.550 3.102) 9.107 2.996 ( -0.466 8.550 3.102) 9.107 3.291 ( -11.762 -4.714 -9.675) 15.943 3.291 ( -11.762 4.714 -9.675) 15.943 4.068 ( 3.259 -6.347 -3.841) 8.103 4.068 ( 3.259 6.347 -3.841) 8.103 4.622 ( -3.470 -4.523 -0.369) 5.713 4.622 ( -3.470 4.523 -0.369) 5.713 4.865 ( -0.554 -7.442 -1.800) 7.677 4.865 ( -0.554 7.442 -1.800) 7.677 5.524 ( 7.000 -9.814 2.265) 12.266 5.524 ( 7.000 9.814 2.265) 12.266 5.865 ( -10.495 -7.380 4.621) 13.637 5.865 ( -10.495 7.380 4.621) 13.637 6.241 ( 2.065 -8.680 -0.570) 8.940 6.241 ( 2.065 8.680 -0.570) 8.940 6.975 ( 5.276 -1.375 4.609) 7.139 6.975 ( 5.276 1.375 4.609) 7.139 7.577 ( 5.715 -1.978 -1.134) 6.153 7.577 ( 5.715 1.978 -1.134) 6.153 8.435 ( 5.162 -4.434 -1.249) 6.918 8.435 ( 5.162 4.434 -1.249) 6.918 8.589 ( 1.297 -7.262 7.891) 10.803 8.589 ( 1.297 7.262 7.891) 10.803 9.421 ( -1.773 -5.388 -2.353) 6.141 9.421 ( -1.773 5.388 -2.353) 6.141 10.177 ( -1.875 -7.342 2.911) 8.118 10.177 ( -1.875 7.342 2.911) 8.118 11.634 ( -5.944 -11.903 -7.243) 15.148 11.634 ( -5.944 11.903 -7.243) 15.148 11.921 ( -5.348 -6.955 4.628) 9.920 11.921 ( -5.348 6.955 4.628) 9.920 15.015 ( 14.639 -13.644 13.701) 24.252 15.015 ( 14.639 13.644 13.701) 24.252 16.803 ( 0.349 -5.543 -9.126) 10.683 16.803 ( 0.349 5.543 -9.126) 10.683 19.087 ( -3.620 -6.026 0.497) 7.047 19.087 ( -3.620 6.026 0.497) 7.047 ======================= Grid point 153 (78/260) ======================= q-point: (-0.30 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -13.349 -2.849 -10.472) 17.204 1.986 ( -13.349 2.849 -10.472) 17.204 2.137 ( 1.300 -12.719 -6.409) 14.302 2.137 ( 1.300 12.719 -6.409) 14.302 2.883 ( -9.197 -8.027 -9.854) 15.688 2.883 ( -9.197 8.027 -9.854) 15.688 3.157 ( -0.758 -11.990 3.940) 12.643 3.157 ( -0.758 11.990 3.940) 12.643 3.977 ( -8.283 -3.752 -5.414) 10.583 3.977 ( -8.283 3.752 -5.414) 10.583 4.517 ( -8.834 -9.634 -1.391) 13.144 4.517 ( -8.834 9.634 -1.391) 13.144 4.876 ( 6.169 -1.709 -3.488) 7.290 4.876 ( 6.169 1.709 -3.488) 7.290 5.646 ( 3.733 -7.294 2.417) 8.543 5.646 ( 3.733 7.294 2.417) 8.543 5.742 ( -7.724 -15.471 4.899) 17.973 5.742 ( -7.724 15.471 4.899) 17.973 6.275 ( 1.112 -11.476 0.404) 11.537 6.275 ( 1.112 11.476 0.404) 11.537 7.091 ( 4.465 -3.535 2.576) 6.250 7.091 ( 4.465 3.535 2.576) 6.250 7.695 ( 7.742 -2.313 1.045) 8.148 7.695 ( 7.742 2.313 1.045) 8.148 8.517 ( 4.882 -2.461 -0.762) 5.520 8.517 ( 4.882 2.461 -0.762) 5.520 8.713 ( 5.201 -6.403 6.606) 10.568 8.713 ( 5.201 6.403 6.606) 10.568 9.366 ( -2.182 -5.451 -1.889) 6.168 9.366 ( -2.182 5.451 -1.889) 6.168 10.173 ( -1.618 -3.483 3.179) 4.986 10.173 ( -1.618 3.483 3.179) 4.986 11.401 ( -13.545 -10.508 -5.418) 17.979 11.401 ( -13.545 10.508 -5.418) 17.979 11.876 ( -3.823 -5.194 2.800) 7.031 11.876 ( -3.823 5.194 2.800) 7.031 15.436 ( 15.941 -14.126 17.053) 27.285 15.436 ( 15.941 14.126 17.053) 27.285 16.746 ( 5.617 -6.809 -12.908) 15.638 16.746 ( 5.617 6.809 -12.908) 15.638 18.990 ( -8.169 -5.370 0.389) 9.784 18.990 ( -8.169 5.370 0.389) 9.784 ======================= Grid point 155 (79/260) ======================= q-point: (-0.20 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -8.718 -2.086 -4.494) 10.028 1.708 ( -8.718 2.086 -4.494) 10.028 2.135 ( 3.183 -16.617 -5.036) 17.653 2.135 ( 3.183 16.617 -5.036) 17.653 2.668 ( -4.807 -8.931 -6.333) 11.957 2.668 ( -4.807 8.931 -6.333) 11.957 3.149 ( -4.833 -6.109 -0.314) 7.795 3.149 ( -4.833 6.109 -0.314) 7.795 3.793 ( -7.207 -8.048 0.846) 10.836 3.793 ( -7.207 8.048 0.846) 10.836 4.277 ( -15.584 -12.483 -2.351) 20.105 4.277 ( -15.584 12.483 -2.351) 20.105 5.006 ( 11.212 -5.825 -4.298) 13.346 5.006 ( 11.212 5.825 -4.298) 13.346 5.666 ( -1.395 -3.605 -1.776) 4.254 5.666 ( -1.395 3.605 -1.776) 4.254 5.718 ( -1.284 -16.595 6.243) 17.777 5.718 ( -1.284 16.595 6.243) 17.777 6.270 ( -2.168 -11.343 0.131) 11.549 6.270 ( -2.168 11.343 0.131) 11.549 7.174 ( 3.312 -4.469 0.525) 5.587 7.174 ( 3.312 4.469 0.525) 5.587 7.847 ( 7.646 -3.467 2.005) 8.631 7.847 ( 7.646 3.467 2.005) 8.631 8.577 ( 2.727 -3.109 -0.505) 4.166 8.577 ( 2.727 3.109 -0.505) 4.166 8.881 ( 8.238 -3.338 4.070) 9.776 8.881 ( 8.238 3.338 4.070) 9.776 9.312 ( -2.699 -5.893 -0.958) 6.552 9.312 ( -2.699 5.893 -0.958) 6.552 10.186 ( -0.445 -2.606 3.811) 4.639 10.186 ( -0.445 2.606 3.811) 4.639 11.095 ( -16.658 -8.430 -2.987) 18.908 11.095 ( -16.658 8.430 -2.987) 18.908 11.840 ( -2.645 -3.357 1.450) 4.513 11.840 ( -2.645 3.357 1.450) 4.513 15.797 ( 8.521 -11.185 10.694) 17.666 15.797 ( 8.521 11.185 10.694) 17.666 16.803 ( 14.575 -8.797 -9.703) 19.594 16.803 ( 14.575 8.797 -9.703) 19.594 18.817 ( -11.683 -4.011 -0.021) 12.352 18.817 ( -11.683 4.011 -0.021) 12.352 ======================= Grid point 157 (80/260) ======================= q-point: (-0.10 -0.50 0.10) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -1.157 -2.479 4.936) 5.643 1.629 ( -1.157 2.479 4.936) 5.643 2.129 ( 1.258 -20.364 -4.314) 20.854 2.129 ( 1.258 20.364 -4.314) 20.854 2.635 ( 3.905 -11.096 0.194) 11.765 2.635 ( 3.905 11.096 0.194) 11.765 3.004 ( -7.347 -2.985 -2.540) 8.327 3.004 ( -7.347 2.985 -2.540) 8.327 3.765 ( -1.555 -16.234 4.092) 16.813 3.765 ( -1.555 16.234 4.092) 16.813 4.008 ( -12.164 -4.327 1.602) 13.010 4.008 ( -12.164 4.327 1.602) 13.010 5.133 ( 7.473 -11.633 -4.263) 14.469 5.133 ( 7.473 11.633 -4.263) 14.469 5.623 ( -0.156 -1.027 -4.063) 4.194 5.623 ( -0.156 1.027 -4.063) 4.194 5.763 ( 0.905 -10.555 3.850) 11.272 5.763 ( 0.905 10.555 3.850) 11.272 6.202 ( -4.932 -11.802 -1.112) 12.839 6.202 ( -4.932 11.802 -1.112) 12.839 7.211 ( 1.461 -4.511 -1.535) 4.984 7.211 ( 1.461 4.511 -1.535) 4.984 7.971 ( 4.044 -2.845 1.544) 5.180 7.971 ( 4.044 2.845 1.544) 5.180 8.606 ( 1.685 -4.921 -1.155) 5.328 8.606 ( 1.685 4.921 -1.155) 5.328 9.047 ( 7.058 -1.257 1.299) 7.286 9.047 ( 7.058 1.257 1.299) 7.286 9.258 ( -3.017 -5.818 0.759) 6.597 9.258 ( -3.017 5.818 0.759) 6.597 10.233 ( 1.291 -3.729 4.355) 5.877 10.233 ( 1.291 3.729 4.355) 5.877 10.807 ( -13.716 -6.332 -0.042) 15.107 10.807 ( -13.716 6.332 -0.042) 15.107 11.814 ( -1.417 -1.801 0.523) 2.350 11.814 ( -1.417 1.801 0.523) 2.350 15.887 ( 0.081 -8.435 -5.486) 10.063 15.887 ( 0.081 8.435 -5.486) 10.063 17.061 ( 16.915 -8.919 1.689) 19.197 17.061 ( 16.915 8.919 1.689) 19.197 18.612 ( -10.723 -2.175 -0.356) 10.947 18.612 ( -10.723 2.175 -0.356) 10.947 ======================= Grid point 189 (81/260) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 2.616 0.000 23.371) 23.517 0.997 ( 2.641 0.000 23.534) 23.682 1.640 ( 17.580 0.000 4.607) 18.174 2.019 ( 3.705 0.000 46.723) 46.870 2.336 ( 8.704 0.000 1.816) 8.891 2.802 ( 5.135 0.000 12.484) 13.498 2.967 ( -6.559 0.000 2.156) 6.904 3.326 ( 11.652 0.000 18.033) 21.471 3.794 ( 8.015 0.000 -13.614) 15.798 3.906 ( 1.711 0.000 -9.022) 9.183 4.339 ( 1.093 0.000 -9.145) 9.210 4.593 ( -1.573 0.000 -4.496) 4.764 4.609 ( -9.496 0.000 -4.445) 10.485 5.081 ( -3.645 0.000 -7.586) 8.417 5.097 ( 10.491 0.000 -8.933) 13.779 5.531 ( 3.361 0.000 3.095) 4.569 6.198 ( 0.602 0.000 8.848) 8.869 6.242 ( 4.700 0.000 9.923) 10.979 6.273 ( 11.783 0.000 4.499) 12.613 6.825 ( -8.498 0.000 3.907) 9.353 7.043 ( -7.974 0.000 -15.085) 17.063 7.451 ( -6.022 0.000 -2.645) 6.578 7.632 ( -13.709 0.000 0.651) 13.725 7.655 ( -0.097 0.000 -7.417) 7.418 8.384 ( 7.028 0.000 4.895) 8.564 8.561 ( -4.374 0.000 -1.790) 4.726 8.911 ( -13.178 0.000 -4.517) 13.931 9.064 ( 2.840 0.000 -0.585) 2.900 9.253 ( 6.996 0.000 -0.358) 7.005 9.283 ( 4.285 0.000 -0.845) 4.368 10.019 ( 25.573 0.000 -1.430) 25.613 10.406 ( -6.223 0.000 -2.130) 6.578 10.794 ( 13.127 0.000 12.913) 18.413 11.823 ( -1.472 0.000 -2.993) 3.335 11.955 ( 3.908 0.000 -0.646) 3.961 12.242 ( -61.315 0.000 -2.415) 61.363 14.083 ( -2.092 0.000 11.157) 11.352 16.130 ( 7.155 0.000 -16.534) 18.016 17.072 ( 26.586 0.000 6.138) 27.285 17.426 ( -10.084 0.000 -2.180) 10.317 18.319 ( 2.878 0.000 2.641) 3.907 18.497 ( 1.137 0.000 0.007) 1.137 ======================= Grid point 190 (82/260) ======================= q-point: ( 0.10 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 10.804 0.000 21.842) 24.368 1.386 ( 20.470 0.000 18.440) 27.550 2.045 ( 24.424 0.000 -11.469) 26.983 2.541 ( 9.850 0.000 4.928) 11.014 2.613 ( 17.847 0.000 37.334) 41.381 2.915 ( -1.999 0.000 6.061) 6.383 2.975 ( 3.378 0.000 4.190) 5.382 3.550 ( 7.625 0.000 -3.566) 8.418 3.849 ( -1.077 0.000 0.833) 1.362 3.922 ( 8.817 0.000 4.738) 10.009 4.364 ( 7.084 0.000 -6.275) 9.464 4.410 ( -5.674 0.000 -5.759) 8.085 4.454 ( -5.157 0.000 -6.447) 8.256 4.867 ( -8.400 0.000 -15.262) 17.421 5.247 ( 12.327 0.000 -6.277) 13.833 5.632 ( 4.103 0.000 4.745) 6.273 6.222 ( -2.795 0.000 -0.978) 2.961 6.419 ( 1.957 0.000 14.783) 14.912 6.503 ( 6.609 0.000 9.929) 11.928 6.752 ( -4.087 0.000 5.490) 6.844 6.770 ( -7.527 0.000 -13.916) 15.821 7.313 ( -20.705 0.000 -3.780) 21.047 7.324 ( -5.596 0.000 -2.786) 6.251 7.572 ( 0.700 0.000 -11.026) 11.048 8.460 ( -6.268 0.000 -3.769) 7.313 8.543 ( 6.503 0.000 3.177) 7.237 8.647 ( -10.869 0.000 -1.628) 10.990 9.120 ( 3.357 0.000 0.232) 3.365 9.326 ( 1.533 0.000 -2.961) 3.334 9.359 ( 4.567 0.000 1.752) 4.892 10.246 ( -7.443 0.000 -5.766) 9.415 10.294 ( 10.639 0.000 -3.227) 11.118 11.141 ( 5.776 0.000 12.784) 14.029 11.521 ( -20.937 0.000 7.588) 22.270 11.772 ( 1.484 0.000 -6.105) 6.283 12.089 ( 8.126 0.000 4.738) 9.407 14.167 ( -0.708 0.000 12.420) 12.441 16.070 ( 5.459 0.000 -17.437) 18.272 17.111 ( -21.012 0.000 -4.559) 21.501 17.237 ( -6.943 0.000 8.539) 11.005 18.453 ( 8.405 0.000 2.332) 8.723 18.737 ( 22.288 0.000 -6.851) 23.317 ======================= Grid point 191 (83/260) ======================= q-point: ( 0.20 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 11.772 0.000 18.681) 22.081 1.884 ( 17.672 0.000 15.808) 23.711 2.195 ( 9.160 0.000 -16.856) 19.184 2.688 ( 2.408 0.000 0.629) 2.488 2.892 ( 3.193 0.000 -1.602) 3.572 3.138 ( 8.125 0.000 9.179) 12.258 3.305 ( 24.284 0.000 21.376) 32.352 3.664 ( 13.473 0.000 -10.835) 17.289 3.824 ( -8.589 0.000 9.298) 12.658 3.929 ( -10.386 0.000 1.239) 10.459 4.305 ( -2.684 0.000 -2.962) 3.997 4.407 ( 3.928 0.000 -4.310) 5.831 4.514 ( 11.060 0.000 -0.643) 11.079 4.574 ( -1.216 0.000 -18.386) 18.426 5.358 ( 6.346 0.000 -5.743) 8.559 5.761 ( 3.900 0.000 8.095) 8.986 6.107 ( -5.086 0.000 -5.697) 7.637 6.532 ( -6.721 0.000 -10.117) 12.146 6.532 ( -6.152 0.000 9.595) 11.398 6.662 ( 0.995 0.000 7.842) 7.905 6.710 ( -10.500 0.000 0.039) 10.500 6.989 ( -8.492 0.000 7.808) 11.536 7.227 ( -3.410 0.000 0.507) 3.448 7.494 ( 4.013 0.000 -13.555) 14.137 8.246 ( -12.373 0.000 -3.574) 12.879 8.548 ( -1.669 0.000 -0.405) 1.717 8.648 ( 2.157 0.000 2.526) 3.322 9.149 ( -1.334 0.000 0.263) 1.360 9.285 ( -1.657 0.000 -4.562) 4.853 9.460 ( 5.615 0.000 2.083) 5.989 10.070 ( -5.011 0.000 -7.888) 9.345 10.370 ( -0.118 0.000 2.013) 2.017 11.109 ( -10.949 0.000 11.835) 16.123 11.657 ( 16.237 0.000 2.896) 16.494 11.759 ( 5.076 0.000 -9.725) 10.970 12.308 ( 8.853 0.000 10.459) 13.703 14.289 ( 1.098 0.000 13.196) 13.242 16.005 ( 5.967 0.000 -18.188) 19.141 16.665 ( -24.286 0.000 -5.515) 24.905 17.159 ( -10.859 0.000 10.583) 15.163 18.618 ( 8.073 0.000 1.674) 8.245 19.016 ( 17.695 0.000 -7.852) 19.359 ======================= Grid point 192 (84/260) ======================= q-point: ( 0.30 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 6.024 0.000 14.460) 15.665 2.097 ( 0.477 0.000 -8.868) 8.881 2.311 ( 15.661 0.000 5.522) 16.606 2.670 ( -1.052 0.000 -2.189) 2.429 2.952 ( 7.485 0.000 -8.448) 11.287 3.323 ( 0.681 0.000 2.677) 2.762 3.513 ( -11.259 0.000 1.357) 11.341 3.666 ( -5.521 0.000 -9.422) 10.920 3.821 ( 2.449 0.000 1.587) 2.919 3.993 ( 11.395 0.000 9.329) 14.727 4.294 ( 6.933 0.000 -18.344) 19.610 4.315 ( 7.207 0.000 6.605) 9.775 4.626 ( 11.125 0.000 -7.642) 13.497 4.740 ( 11.719 0.000 5.077) 12.772 5.353 ( -0.015 0.000 -6.593) 6.593 5.886 ( -1.348 0.000 10.059) 10.149 6.001 ( -4.648 0.000 -0.072) 4.648 6.168 ( -24.596 0.000 -7.724) 25.781 6.365 ( -0.176 0.000 -10.404) 10.405 6.664 ( -3.278 0.000 8.178) 8.811 6.669 ( -4.931 0.000 1.849) 5.266 7.090 ( 0.991 0.000 14.223) 14.257 7.251 ( 1.249 0.000 8.971) 9.058 7.471 ( 7.305 0.000 -12.590) 14.556 8.030 ( -9.373 0.000 -0.185) 9.375 8.537 ( 0.494 0.000 -0.545) 0.736 8.646 ( -5.765 0.000 2.846) 6.429 9.089 ( -3.604 0.000 -1.566) 3.929 9.204 ( -1.929 0.000 -5.677) 5.995 9.581 ( 5.788 0.000 0.569) 5.815 9.950 ( -0.297 0.000 -6.977) 6.984 10.360 ( -4.984 0.000 6.392) 8.106 11.069 ( -3.387 0.000 4.055) 5.284 11.759 ( 6.470 0.000 -12.160) 13.774 11.959 ( 14.015 0.000 5.269) 14.973 12.567 ( 7.060 0.000 14.517) 16.143 14.434 ( 1.228 0.000 12.178) 12.240 15.938 ( 6.190 0.000 -19.237) 20.208 16.215 ( -20.954 0.000 -4.502) 21.432 17.074 ( -9.891 0.000 9.624) 13.801 18.753 ( 5.771 0.000 1.385) 5.935 19.209 ( 12.521 0.000 -6.341) 14.035 ======================= Grid point 193 (85/260) ======================= q-point: ( 0.40 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 1.481 0.000 -7.275) 7.424 2.151 ( -5.606 0.000 7.410) 9.292 2.567 ( 9.019 0.000 -0.589) 9.039 2.653 ( 0.604 0.000 -5.185) 5.220 2.931 ( -0.553 0.000 -9.721) 9.737 3.221 ( -4.494 0.000 -5.000) 6.723 3.346 ( -4.643 0.000 0.086) 4.644 3.384 ( -11.357 0.000 -9.688) 14.928 3.990 ( -8.241 0.000 -1.872) 8.451 4.055 ( 11.653 0.000 6.670) 13.427 4.269 ( 8.678 0.000 -17.096) 19.173 4.703 ( 19.714 0.000 7.022) 20.927 4.775 ( 12.850 0.000 -4.600) 13.649 4.977 ( 11.023 0.000 3.313) 11.511 5.249 ( -7.520 0.000 -5.425) 9.273 5.609 ( -23.195 0.000 -3.755) 23.497 5.821 ( -12.603 0.000 3.040) 12.964 6.088 ( 3.191 0.000 9.947) 10.446 6.333 ( 2.837 0.000 -11.604) 11.946 6.622 ( 1.691 0.000 4.208) 4.535 6.644 ( -4.338 0.000 -0.126) 4.339 7.205 ( -3.417 0.000 15.194) 15.574 7.401 ( 6.892 0.000 4.361) 8.156 7.509 ( 5.613 0.000 -2.487) 6.139 7.961 ( -1.105 0.000 5.648) 5.755 8.512 ( -11.746 0.000 3.164) 12.164 8.550 ( 1.415 0.000 -0.263) 1.439 9.028 ( -0.911 0.000 -3.267) 3.392 9.121 ( -1.022 0.000 -6.706) 6.783 9.619 ( 0.150 0.000 -4.609) 4.611 9.958 ( 5.847 0.000 -1.560) 6.052 10.323 ( -7.072 0.000 7.999) 10.677 11.037 ( -2.327 0.000 -1.280) 2.656 11.755 ( 6.491 0.000 -12.918) 14.457 12.239 ( 10.917 0.000 9.385) 14.396 12.791 ( 1.719 0.000 16.196) 16.287 14.497 ( -5.984 0.000 6.399) 8.761 15.861 ( 6.126 0.000 -20.475) 21.371 15.941 ( -6.588 0.000 1.442) 6.744 16.994 ( -8.593 0.000 7.456) 11.377 18.838 ( 2.532 0.000 1.330) 2.860 19.337 ( 8.622 0.000 -5.015) 9.975 ======================= Grid point 194 (86/260) ======================= q-point: (-0.50 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -5.017 0.000 -1.016) 5.119 2.041 ( -11.875 0.000 3.898) 12.499 2.472 ( -6.906 0.000 -19.713) 20.888 2.545 ( -2.726 0.000 -8.864) 9.273 2.858 ( 2.805 0.000 -10.460) 10.830 3.090 ( -8.401 0.000 -2.970) 8.910 3.322 ( 8.420 0.000 2.883) 8.900 3.363 ( 7.652 0.000 -4.344) 8.799 3.802 ( -9.956 0.000 -1.414) 10.056 4.025 ( 1.757 0.000 -22.506) 22.575 4.504 ( 13.569 0.000 12.389) 18.374 4.720 ( -30.809 0.000 -1.691) 30.855 4.947 ( 9.453 0.000 -2.410) 9.755 5.061 ( 1.077 0.000 4.753) 4.873 5.211 ( 15.140 0.000 -5.999) 16.285 5.468 ( 4.789 0.000 2.522) 5.413 5.578 ( -14.074 0.000 -2.285) 14.258 6.165 ( -6.795 0.000 -12.548) 14.269 6.312 ( 6.874 0.000 17.629) 18.922 6.498 ( -6.799 0.000 -9.970) 12.067 6.837 ( 13.853 0.000 6.519) 15.310 7.291 ( -3.654 0.000 18.633) 18.988 7.482 ( 9.960 0.000 -16.286) 19.090 7.656 ( 1.783 0.000 16.994) 17.087 8.072 ( 4.874 0.000 9.174) 10.388 8.343 ( -10.665 0.000 3.484) 11.220 8.580 ( 2.154 0.000 0.111) 2.157 8.985 ( -0.071 0.000 -4.499) 4.500 9.043 ( -0.446 0.000 -7.636) 7.649 9.526 ( -3.339 0.000 -7.705) 8.397 10.087 ( 7.745 0.000 2.211) 8.055 10.257 ( -9.122 0.000 7.571) 11.854 10.959 ( -3.537 0.000 -4.526) 5.744 11.745 ( 5.979 0.000 -12.324) 13.698 12.518 ( 8.562 0.000 15.294) 17.528 12.899 ( -6.628 0.000 15.140) 16.527 14.339 ( -13.476 0.000 -0.135) 13.476 15.769 ( 5.766 0.000 -21.940) 22.685 16.039 ( 10.635 0.000 8.901) 13.868 16.911 ( -7.501 0.000 4.523) 8.759 18.861 ( -1.227 0.000 1.248) 1.750 19.415 ( 5.499 0.000 -4.455) 7.077 ======================= Grid point 195 (87/260) ======================= q-point: (-0.40 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -21.584 0.000 3.353) 21.843 1.807 ( -19.874 0.000 2.442) 20.024 2.209 ( -0.301 0.000 -16.104) 16.107 2.506 ( 5.174 0.000 -4.727) 7.008 2.755 ( 1.521 0.000 -18.935) 18.996 2.903 ( -7.038 0.000 -10.327) 12.497 3.485 ( 8.174 0.000 -5.002) 9.583 3.540 ( 9.718 0.000 4.411) 10.672 3.674 ( -1.234 0.000 -0.872) 1.511 3.885 ( 3.245 0.000 -14.050) 14.420 4.062 ( -40.373 0.000 0.691) 40.379 4.802 ( 3.825 0.000 11.546) 12.163 4.999 ( -0.333 0.000 -0.663) 0.742 5.120 ( 1.007 0.000 -0.425) 1.093 5.331 ( 6.306 0.000 -3.464) 7.195 5.393 ( -1.067 0.000 -3.904) 4.047 5.680 ( 10.786 0.000 6.217) 12.449 5.928 ( -6.372 0.000 -12.147) 13.717 6.256 ( -6.578 0.000 -14.453) 15.879 6.614 ( 8.702 0.000 16.298) 18.475 7.142 ( 12.742 0.000 7.345) 14.707 7.429 ( -1.343 0.000 20.252) 20.296 7.489 ( 10.634 0.000 -19.339) 22.070 7.828 ( 0.243 0.000 15.897) 15.899 8.211 ( -8.403 0.000 2.536) 8.777 8.267 ( 7.378 0.000 9.358) 11.917 8.628 ( 2.969 0.000 0.897) 3.102 8.942 ( 0.635 0.000 -5.500) 5.537 8.962 ( -0.578 0.000 -8.102) 8.123 9.383 ( -4.251 0.000 -8.367) 9.385 10.140 ( -11.613 0.000 5.269) 12.753 10.245 ( 6.833 0.000 4.075) 7.956 10.836 ( -5.191 0.000 -5.552) 7.600 11.736 ( 5.519 0.000 -10.929) 12.244 12.825 ( -15.704 0.000 10.615) 18.955 12.832 ( 8.018 0.000 23.134) 24.484 14.123 ( -10.100 0.000 0.693) 10.124 15.650 ( 4.653 0.000 -23.802) 24.252 16.391 ( 17.719 0.000 10.928) 20.818 16.816 ( -6.606 0.000 0.877) 6.664 18.817 ( -5.153 0.000 1.003) 5.250 19.443 ( 2.815 0.000 -5.272) 5.977 ======================= Grid point 196 (88/260) ======================= q-point: (-0.30 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -24.472 0.000 8.882) 26.034 1.432 ( -24.206 0.000 2.369) 24.322 2.193 ( 6.951 0.000 -2.634) 7.434 2.463 ( -11.354 0.000 -0.808) 11.383 2.617 ( -2.916 0.000 -12.345) 12.684 2.665 ( -6.001 0.000 -13.930) 15.168 3.416 ( -15.021 0.000 -11.459) 18.893 3.489 ( -11.932 0.000 3.605) 12.465 3.673 ( 4.123 0.000 -2.659) 4.906 3.826 ( 16.581 0.000 -2.957) 16.842 3.843 ( -0.852 0.000 -6.060) 6.119 4.746 ( -8.947 0.000 7.472) 11.657 5.066 ( -3.173 0.000 -7.149) 7.822 5.140 ( 8.611 0.000 4.837) 9.876 5.388 ( -0.183 0.000 -3.237) 3.242 5.388 ( 1.149 0.000 -0.363) 1.205 5.777 ( 3.599 0.000 -11.430) 11.983 5.871 ( 4.396 0.000 4.032) 5.965 6.065 ( -0.231 0.000 -9.569) 9.572 6.873 ( 5.600 0.000 10.902) 12.256 7.356 ( 2.631 0.000 7.359) 7.815 7.524 ( 15.632 0.000 -20.373) 25.679 7.603 ( 0.107 0.000 18.701) 18.701 7.963 ( 0.056 0.000 13.073) 13.073 8.074 ( -9.692 0.000 0.363) 9.699 8.492 ( 9.298 0.000 8.309) 12.470 8.710 ( 4.841 0.000 3.395) 5.913 8.877 ( -1.023 0.000 -6.597) 6.676 8.920 ( 3.059 0.000 -5.322) 6.139 9.242 ( -3.013 0.000 -7.656) 8.227 9.949 ( -14.223 0.000 1.401) 14.291 10.385 ( 4.401 0.000 4.800) 6.513 10.690 ( -6.229 0.000 -3.680) 7.234 11.737 ( 5.487 0.000 -9.202) 10.714 12.582 ( -19.584 0.000 5.032) 20.220 13.246 ( 11.565 0.000 31.212) 33.286 14.019 ( -5.395 0.000 4.845) 7.251 15.480 ( 1.562 0.000 -25.291) 25.339 16.698 ( -5.722 0.000 -3.371) 6.642 16.806 ( 18.621 0.000 9.597) 20.949 18.703 ( -8.818 0.000 0.647) 8.841 19.403 ( -0.521 0.000 -8.880) 8.895 ======================= Grid point 197 (89/260) ======================= q-point: (-0.20 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -22.631 0.000 8.860) 24.303 1.146 ( -18.914 0.000 18.911) 26.746 2.027 ( -41.373 0.000 14.656) 43.892 2.278 ( 0.638 0.000 -3.102) 3.167 2.479 ( -1.880 0.000 -4.788) 5.144 2.579 ( 8.322 0.000 1.804) 8.515 2.912 ( -26.686 0.000 -20.728) 33.791 3.528 ( -18.885 0.000 0.133) 18.885 3.587 ( 15.874 0.000 -3.741) 16.309 3.802 ( 7.954 0.000 -12.966) 15.212 4.123 ( 19.706 0.000 -1.771) 19.785 4.766 ( 0.250 0.000 7.640) 7.644 4.882 ( -9.025 0.000 -9.332) 12.982 5.228 ( -4.862 0.000 1.169) 5.001 5.323 ( -3.379 0.000 -9.515) 10.097 5.364 ( 4.917 0.000 -0.927) 5.004 5.845 ( 12.839 0.000 -7.933) 15.092 5.942 ( 2.334 0.000 5.116) 5.623 6.069 ( 2.333 0.000 -0.242) 2.345 6.982 ( -2.311 0.000 6.420) 6.823 7.386 ( -0.619 0.000 -2.304) 2.386 7.610 ( 10.211 0.000 -13.221) 16.705 7.746 ( -1.820 0.000 13.536) 13.657 7.872 ( -10.853 0.000 -2.909) 11.237 8.091 ( 1.031 0.000 11.851) 11.896 8.725 ( 5.825 0.000 2.697) 6.419 8.780 ( 4.156 0.000 -1.194) 4.324 8.951 ( 11.971 0.000 12.646) 17.413 8.958 ( 5.663 0.000 -3.041) 6.428 9.149 ( 0.146 0.000 -6.573) 6.575 9.679 ( -16.125 0.000 -2.564) 16.328 10.475 ( 1.010 0.000 4.061) 4.185 10.575 ( -5.038 0.000 1.264) 5.194 11.759 ( 5.876 0.000 -7.267) 9.346 12.286 ( -17.249 0.000 1.421) 17.307 13.757 ( 12.887 0.000 18.425) 22.485 14.004 ( -3.586 0.000 7.851) 8.631 15.287 ( 2.736 0.000 -10.760) 11.103 16.561 ( -4.140 0.000 -6.923) 8.066 17.185 ( 15.964 0.000 6.716) 17.319 18.532 ( -11.239 0.000 0.453) 11.248 19.221 ( -8.984 0.000 -15.787) 18.165 ======================= Grid point 198 (90/260) ======================= q-point: (-0.10 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -12.612 0.000 18.797) 22.636 0.984 ( -23.489 0.000 18.980) 30.199 1.665 ( -22.128 0.000 36.949) 43.068 1.958 ( -42.299 0.000 -9.520) 43.357 2.243 ( 2.646 0.000 -3.537) 4.417 2.609 ( 2.305 0.000 9.233) 9.516 2.897 ( 13.986 0.000 16.412) 21.563 3.192 ( -17.305 0.000 1.086) 17.339 3.810 ( 7.075 0.000 -14.551) 16.180 3.829 ( 15.769 0.000 -8.092) 17.725 4.412 ( 11.857 0.000 -4.242) 12.593 4.623 ( -7.726 0.000 -7.574) 10.819 4.771 ( -5.135 0.000 -0.659) 5.177 5.143 ( -2.600 0.000 -13.506) 13.753 5.153 ( -2.413 0.000 -0.402) 2.447 5.453 ( 3.848 0.000 1.415) 4.100 6.035 ( 14.204 0.000 -2.383) 14.403 6.066 ( 1.812 0.000 12.779) 12.907 6.115 ( 2.972 0.000 2.469) 3.864 6.935 ( -8.196 0.000 5.072) 9.638 7.285 ( -4.551 0.000 -11.254) 12.139 7.580 ( -3.100 0.000 -7.025) 7.679 7.715 ( -2.421 0.000 -3.382) 4.159 7.769 ( -6.930 0.000 7.355) 10.105 8.226 ( 4.274 0.000 7.843) 8.932 8.660 ( -4.465 0.000 -2.707) 5.222 8.982 ( 8.478 0.000 1.612) 8.630 9.027 ( 3.028 0.000 -0.557) 3.079 9.148 ( 6.390 0.000 -4.589) 7.867 9.367 ( -10.954 0.000 -3.863) 11.615 9.455 ( 25.884 0.000 14.048) 29.450 10.487 ( -2.780 0.000 1.595) 3.205 10.574 ( 0.821 0.000 8.371) 8.411 11.806 ( 5.785 0.000 -4.728) 7.472 12.040 ( -10.997 0.000 -0.707) 11.020 13.436 ( -45.470 0.000 -28.505) 53.667 14.031 ( -2.898 0.000 9.713) 10.136 15.809 ( 43.358 0.000 15.505) 46.047 16.499 ( 8.074 0.000 0.594) 8.096 17.444 ( 7.445 0.000 2.559) 7.872 18.355 ( -8.639 0.000 1.165) 8.717 18.794 ( -22.131 0.000 -12.306) 25.322 ======================= Grid point 199 (91/260) ======================= q-point: ( 0.00 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -1.028 4.035 20.614) 21.030 1.081 ( 2.485 10.733 18.599) 21.617 1.734 ( 7.743 9.050 4.210) 12.633 2.286 ( 2.554 19.707 36.782) 41.806 2.450 ( 13.254 6.889 1.927) 15.061 2.759 ( 6.972 -2.573 13.510) 15.419 2.960 ( -5.786 -0.348 1.375) 5.958 3.316 ( 11.073 -0.977 17.348) 20.604 3.529 ( 9.875 -17.718 -10.066) 22.645 3.919 ( -10.053 -1.171 -10.022) 14.243 4.426 ( -4.588 2.264 -4.700) 6.947 4.533 ( 4.817 -1.982 -0.280) 5.216 4.748 ( 2.269 12.177 -8.501) 15.023 5.043 ( -2.430 0.036 -9.603) 9.905 5.210 ( 7.299 6.046 -7.267) 11.943 5.481 ( 3.534 -5.666 4.661) 8.144 5.942 ( 2.706 -13.034 4.920) 14.192 6.092 ( 3.506 -11.350 4.119) 12.573 6.431 ( 4.873 2.998 9.859) 11.399 6.789 ( -7.332 -1.235 -3.759) 8.331 7.077 ( -5.913 1.740 -7.233) 9.503 7.318 ( -8.101 -11.245 -3.699) 14.344 7.706 ( -7.386 7.221 -5.603) 11.751 7.758 ( -5.427 6.827 -3.746) 9.492 8.297 ( 4.778 -4.655 3.067) 7.342 8.628 ( -1.949 3.681 -1.469) 4.416 8.960 ( -9.335 3.583 -2.297) 10.260 9.082 ( 1.368 1.664 0.536) 2.220 9.224 ( 5.547 -2.011 0.384) 5.913 9.302 ( 3.692 1.656 -0.490) 4.075 10.106 ( 23.260 7.404 -1.927) 24.486 10.386 ( -7.154 -1.723 -0.949) 7.420 10.773 ( 11.964 -2.119 12.465) 17.407 11.558 ( -25.364 -26.642 11.579) 38.564 11.828 ( -4.067 -1.560 -1.237) 4.529 12.100 ( -11.535 -5.302 4.013) 13.314 14.492 ( -9.081 24.391 -10.404) 28.029 16.043 ( 3.757 -7.672 -17.259) 19.257 17.116 ( 20.924 3.859 8.182) 22.796 17.462 ( -7.654 2.738 -0.866) 8.175 18.345 ( 2.231 2.120 1.571) 3.455 18.499 ( 1.580 0.176 -0.193) 1.601 ======================= Grid point 200 (92/260) ======================= q-point: ( 0.10 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 11.886 -2.027 21.731) 24.852 1.465 ( 18.755 6.754 16.222) 25.701 1.993 ( 16.572 -1.837 -2.303) 16.832 2.587 ( 10.311 7.371 6.757) 14.363 2.815 ( 6.515 5.526 12.988) 15.546 2.973 ( 4.939 -0.781 6.383) 8.108 3.007 ( 10.147 12.758 14.851) 22.052 3.446 ( 7.362 -9.530 -8.132) 14.531 3.726 ( -4.100 -9.218 0.035) 10.088 3.810 ( 12.101 -6.470 12.541) 18.590 4.260 ( -9.601 -2.349 -1.450) 9.990 4.531 ( -0.623 7.327 -5.879) 9.415 4.708 ( 0.722 14.607 -6.393) 15.962 4.896 ( -2.235 4.252 -14.264) 15.051 5.281 ( 9.642 2.194 -8.641) 13.132 5.606 ( 4.269 -2.682 6.895) 8.542 6.006 ( -0.348 -14.583 3.132) 14.920 6.203 ( 3.820 -15.111 6.056) 16.722 6.531 ( -4.823 -8.458 4.956) 10.925 6.689 ( 2.352 4.193 -4.086) 6.309 6.917 ( -7.033 6.466 -1.285) 9.639 7.153 ( -7.755 -12.552 -1.704) 14.852 7.434 ( -16.228 8.242 -5.203) 18.931 7.648 ( 0.020 5.561 -10.552) 11.928 8.365 ( -0.721 -4.157 0.308) 4.230 8.579 ( -2.153 2.025 -1.303) 3.230 8.761 ( -8.668 7.011 -0.300) 11.153 9.128 ( 1.808 0.926 1.399) 2.467 9.310 ( 3.850 -2.073 -1.038) 4.494 9.363 ( 3.015 1.150 0.318) 3.243 10.223 ( -8.008 -1.959 -4.658) 9.469 10.364 ( 9.829 6.282 -2.124) 11.857 11.132 ( 4.254 -0.838 12.356) 13.095 11.252 ( -8.707 -18.428 12.948) 24.147 11.781 ( 1.438 -0.274 -4.444) 4.679 12.111 ( 5.270 -0.217 3.376) 6.262 14.344 ( -4.511 13.597 1.979) 14.462 15.926 ( 2.163 -11.914 -18.166) 21.832 17.190 ( -17.341 5.969 -1.640) 18.413 17.276 ( -7.544 3.533 7.492) 11.204 18.464 ( 8.244 0.918 1.822) 8.492 18.718 ( 20.448 -1.576 -5.270) 21.175 ======================= Grid point 201 (93/260) ======================= q-point: ( 0.20 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 13.955 -2.289 16.728) 21.904 1.933 ( 17.290 4.419 14.496) 22.991 2.222 ( 13.576 -0.040 -3.879) 14.119 2.699 ( -0.169 5.431 -5.581) 7.790 2.875 ( 4.046 -2.430 -1.047) 4.834 3.088 ( 3.023 -0.360 6.019) 6.745 3.497 ( 21.345 8.711 14.694) 27.339 3.571 ( 11.086 -7.061 -6.465) 14.648 3.664 ( -7.509 -8.865 5.476) 12.844 3.979 ( -2.973 0.488 6.260) 6.948 4.198 ( 3.999 -3.905 1.455) 5.775 4.511 ( 1.252 9.743 -2.029) 10.031 4.528 ( -6.129 3.247 -12.159) 13.998 4.835 ( 6.879 16.000 -8.538) 19.397 5.346 ( 5.049 -2.055 -6.735) 8.665 5.743 ( 3.042 -1.569 8.324) 9.000 5.986 ( -1.378 -9.707 -1.833) 9.974 6.319 ( 0.817 -15.519 8.090) 17.520 6.418 ( -4.197 -7.880 -8.745) 12.497 6.680 ( -7.975 -0.841 3.767) 8.861 6.740 ( -9.451 -0.375 -5.055) 10.724 7.120 ( 1.063 0.584 11.138) 11.204 7.150 ( -10.285 3.699 -3.262) 11.406 7.566 ( 2.448 5.493 -11.529) 13.004 8.249 ( -10.168 0.785 -1.663) 10.333 8.534 ( -1.538 -0.275 -1.136) 1.932 8.696 ( -1.756 2.850 2.255) 4.037 9.125 ( -3.657 -1.633 0.380) 4.023 9.313 ( -0.526 2.024 -3.496) 4.074 9.455 ( 6.257 -0.117 2.262) 6.655 10.046 ( -5.827 -2.060 -6.791) 9.182 10.439 ( -1.043 6.036 3.549) 7.079 11.065 ( -6.927 -3.785 9.339) 12.228 11.568 ( 16.785 -5.935 5.483) 18.628 11.785 ( 5.524 0.637 -7.821) 9.596 12.288 ( 8.097 -2.220 8.666) 12.066 14.345 ( -1.218 4.952 7.846) 9.358 15.782 ( 0.061 -16.630 -17.477) 24.125 16.830 ( -18.639 11.458 -5.160) 22.479 17.197 ( -10.523 3.169 9.996) 14.856 18.625 ( 8.174 0.647 1.360) 8.312 18.993 ( 17.155 -2.131 -6.641) 18.518 ======================= Grid point 202 (94/260) ======================= q-point: ( 0.30 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 9.303 -0.440 8.414) 12.551 2.275 ( 6.788 7.420 9.741) 14.001 2.397 ( 10.714 10.060 -3.362) 15.076 2.631 ( 0.336 -1.302 -1.414) 1.951 2.918 ( 6.034 -3.003 -8.043) 10.493 3.147 ( -3.242 -9.630 -0.853) 10.197 3.490 ( -12.456 -7.168 -0.690) 14.388 3.595 ( -4.305 -3.819 6.092) 8.380 3.825 ( 7.411 4.337 -12.780) 15.397 4.143 ( 11.951 6.902 8.819) 16.378 4.263 ( 2.294 -2.922 1.588) 4.040 4.371 ( 9.809 4.988 -8.254) 13.756 4.600 ( 6.465 2.019 -6.178) 9.167 4.936 ( 9.053 13.348 1.789) 16.227 5.317 ( -0.765 -3.875 -6.899) 7.949 5.830 ( -2.700 -4.462 7.716) 9.313 5.985 ( 0.449 -2.792 3.781) 4.721 6.138 ( -21.434 -1.468 -6.840) 22.547 6.334 ( 1.951 -4.958 -5.431) 7.608 6.534 ( -2.499 -4.131 2.724) 5.544 6.683 ( -2.275 -5.004 0.362) 5.509 7.022 ( -4.876 -2.478 4.123) 6.849 7.309 ( 4.599 1.017 14.781) 15.513 7.524 ( 4.316 5.992 -9.909) 12.358 8.061 ( -9.015 2.922 -0.113) 9.477 8.504 ( -1.315 -2.174 -0.529) 2.595 8.673 ( -4.527 1.584 2.609) 5.460 9.033 ( -4.835 -3.936 -1.934) 6.527 9.249 ( -2.290 3.535 -3.859) 5.713 9.592 ( 6.555 0.944 1.398) 6.768 9.915 ( -1.787 -2.925 -6.351) 7.217 10.425 ( -5.702 5.520 7.132) 10.670 11.068 ( -0.055 0.172 1.632) 1.642 11.761 ( 5.840 0.025 -7.774) 9.723 11.922 ( 13.843 -3.361 3.260) 14.614 12.526 ( 7.021 -3.970 13.100) 15.384 14.421 ( -0.232 -0.780 9.100) 9.137 15.617 ( -1.651 -19.448 -13.370) 23.658 16.491 ( -12.871 15.554 -8.218) 21.798 17.110 ( -9.550 2.955 8.715) 13.262 18.760 ( 5.951 0.699 1.218) 6.114 19.188 ( 12.283 -1.949 -5.639) 13.655 ======================= Grid point 203 (95/260) ======================= q-point: ( 0.40 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.717 2.893 4.236) 5.179 2.280 ( -5.116 17.846 -3.116) 18.825 2.499 ( 1.698 -3.360 -2.500) 4.519 2.728 ( 7.082 3.086 -1.605) 7.891 2.932 ( 3.940 -2.640 -8.033) 9.329 3.024 ( -3.795 -8.155 -3.308) 9.584 3.244 ( -11.766 -9.339 -3.891) 15.517 3.471 ( -8.496 5.221 -3.703) 10.637 3.859 ( 5.901 -4.519 -2.825) 7.951 4.197 ( -6.143 3.974 -5.317) 9.045 4.322 ( 9.626 4.888 -8.273) 13.601 4.664 ( 15.875 -5.976 -4.295) 17.498 4.715 ( 14.992 0.472 4.674) 15.711 5.126 ( 8.380 8.425 0.278) 11.886 5.229 ( -2.561 -1.728 -2.309) 3.857 5.628 ( -24.177 1.040 -3.092) 24.396 5.806 ( -11.078 -0.024 2.287) 11.311 6.078 ( 4.017 -0.053 10.350) 11.102 6.345 ( 2.900 -0.926 -8.512) 9.040 6.548 ( 0.581 -3.867 -0.501) 3.942 6.640 ( 0.894 -2.383 0.334) 2.567 7.053 ( -2.503 -7.722 14.347) 16.484 7.465 ( 6.597 -3.031 -7.323) 10.312 7.575 ( 2.796 8.906 12.011) 15.212 7.979 ( -1.834 1.979 3.682) 4.565 8.457 ( -5.908 -2.815 2.043) 6.856 8.601 ( -3.697 2.376 0.420) 4.415 8.952 ( -1.744 -4.931 -3.286) 6.177 9.180 ( -1.007 4.095 -4.524) 6.184 9.649 ( -0.209 2.822 -3.175) 4.253 9.903 ( 5.096 -4.834 -1.047) 7.101 10.380 ( -7.340 4.763 7.367) 11.439 11.063 ( -0.219 2.639 -2.877) 3.910 11.765 ( 5.463 0.773 -11.020) 12.325 12.185 ( 9.956 -4.812 8.095) 13.705 12.740 ( 1.976 -5.100 14.920) 15.891 14.449 ( -5.205 -3.315 4.508) 7.642 15.547 ( 4.966 -16.390 -4.122) 17.615 16.244 ( -5.417 15.246 -11.166) 19.659 17.027 ( -8.196 2.499 6.178) 10.563 18.847 ( 2.785 0.969 1.310) 3.226 19.317 ( 8.287 -1.894 -4.536) 9.635 ======================= Grid point 204 (96/260) ======================= q-point: (-0.50 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -13.190 1.810 1.510) 13.399 2.127 ( -11.865 8.950 -3.027) 15.167 2.451 ( -2.733 0.702 -9.105) 9.532 2.669 ( -0.733 8.391 -12.556) 15.120 2.897 ( -2.622 -4.174 -4.891) 6.944 2.941 ( -2.329 -2.695 -6.513) 7.423 3.184 ( 7.481 -8.132 0.906) 11.087 3.394 ( 2.586 -0.351 -3.464) 4.337 3.831 ( -6.238 2.094 -3.748) 7.572 4.012 ( 1.526 -2.650 -16.346) 16.630 4.465 ( 6.750 -1.381 1.744) 7.108 4.758 ( -5.287 -0.236 2.645) 5.916 4.910 ( -8.601 1.292 -4.812) 9.940 5.124 ( 9.730 1.688 5.799) 11.452 5.274 ( 1.337 4.708 -5.588) 7.428 5.401 ( 3.950 -3.867 4.411) 7.071 5.606 ( -10.857 2.706 -2.518) 11.469 6.175 ( -0.974 -0.585 -9.384) 9.453 6.372 ( 4.647 4.186 11.914) 13.456 6.421 ( -5.386 -4.732 -7.519) 10.389 6.835 ( 12.793 -0.159 6.155) 14.198 7.166 ( -2.432 -8.661 18.902) 20.934 7.484 ( 8.666 -0.547 -14.535) 16.931 7.748 ( 0.397 5.140 16.510) 17.296 8.056 ( 4.410 -0.688 6.193) 7.634 8.355 ( -7.852 1.291 4.575) 9.179 8.580 ( 1.067 -0.285 -1.136) 1.584 8.903 ( -0.343 -4.184 -3.723) 5.612 9.128 ( 0.037 4.782 -5.743) 7.474 9.561 ( -3.991 3.096 -5.732) 7.640 10.029 ( 7.066 -4.793 3.011) 9.053 10.304 ( -8.587 3.889 5.753) 11.044 11.002 ( -2.484 4.002 -5.220) 7.031 11.753 ( 5.137 0.538 -11.304) 12.428 12.412 ( 5.297 -8.631 12.806) 16.326 12.837 ( -6.749 -6.641 13.443) 16.443 14.346 ( -7.289 1.757 1.412) 7.630 15.699 ( 12.397 -7.883 -2.650) 14.929 16.114 ( 1.969 8.012 -7.020) 10.833 16.939 ( -6.866 1.831 2.751) 7.620 18.877 ( -0.914 1.449 1.373) 2.196 19.390 ( 4.766 -2.285 -4.061) 6.666 ======================= Grid point 205 (97/260) ======================= q-point: (-0.40 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -19.089 2.765 2.451) 19.444 1.847 ( -19.603 4.121 2.973) 20.251 2.192 ( -6.166 -0.583 -15.129) 16.348 2.646 ( 0.200 7.855 -3.714) 8.691 2.761 ( -4.179 -6.657 -11.161) 13.651 2.843 ( 2.763 5.651 -14.192) 15.523 3.322 ( 6.923 -11.400 -0.787) 13.361 3.443 ( 4.000 -8.404 -3.948) 10.110 3.664 ( -4.784 0.443 -3.797) 6.123 4.007 ( 8.034 6.400 -5.907) 11.849 4.215 ( -29.604 11.598 -2.757) 31.914 4.729 ( 4.286 -7.757 2.363) 9.172 4.823 ( -6.408 -2.667 4.883) 8.487 5.215 ( -0.698 -6.086 -5.445) 8.196 5.377 ( 9.119 6.324 4.580) 12.005 5.410 ( -4.660 4.101 -2.917) 6.858 5.590 ( 8.787 -4.449 0.503) 9.862 6.057 ( 0.809 5.367 -9.439) 10.888 6.173 ( -8.213 -4.431 -12.526) 15.621 6.667 ( 8.863 4.177 15.267) 18.140 7.106 ( 9.541 -3.594 8.161) 13.059 7.316 ( 1.125 -8.158 15.763) 17.785 7.506 ( 9.562 1.118 -13.948) 16.948 7.883 ( -1.414 2.163 15.145) 15.364 8.182 ( 2.105 -0.637 1.962) 2.947 8.327 ( 0.379 4.431 8.722) 9.790 8.603 ( 2.527 -2.264 -0.738) 3.472 8.873 ( 0.768 -2.365 -3.533) 4.321 9.062 ( -0.684 5.131 -7.731) 9.304 9.436 ( -3.737 4.761 -5.376) 8.095 10.133 ( -5.492 -2.109 4.182) 7.218 10.231 ( 1.133 0.662 3.731) 3.955 10.887 ( -4.949 4.537 -5.606) 8.746 11.737 ( 4.840 -0.062 -10.635) 11.684 12.600 ( -0.220 -16.954 17.893) 24.651 12.742 ( -15.733 -8.435 8.725) 19.870 14.315 ( 1.210 14.907 6.533) 16.321 15.742 ( 5.019 7.159 -20.216) 22.026 16.287 ( 14.252 -7.720 9.904) 18.995 16.843 ( -4.636 1.348 -1.383) 5.022 18.839 ( -4.826 2.069 1.234) 5.394 19.403 ( 1.209 -3.515 -4.775) 6.051 ======================= Grid point 206 (98/260) ======================= q-point: (-0.30 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -24.956 4.961 4.126) 25.777 1.485 ( -21.143 8.118 9.117) 24.414 2.104 ( 3.864 -6.231 -2.707) 7.815 2.510 ( -6.122 -0.079 -8.963) 10.854 2.556 ( -7.304 -4.909 -10.917) 14.023 2.750 ( -7.625 10.413 -5.807) 14.153 3.353 ( -4.218 -8.772 -8.811) 13.129 3.454 ( 5.274 -10.324 -6.951) 13.517 3.554 ( -8.659 -3.119 2.418) 9.516 3.798 ( -11.146 12.487 3.326) 17.065 4.133 ( 12.154 13.243 -9.135) 20.163 4.681 ( -5.964 -6.493 6.025) 10.679 4.865 ( 0.749 -8.032 2.049) 8.323 5.132 ( -2.591 -6.640 -5.305) 8.885 5.324 ( -0.105 -2.407 -5.643) 6.135 5.532 ( 4.364 8.158 0.106) 9.253 5.711 ( 5.167 -2.756 -0.561) 5.883 5.943 ( -4.377 -3.077 -9.547) 10.944 6.065 ( 5.200 6.069 -2.221) 8.295 6.922 ( 6.280 3.580 9.789) 12.169 7.269 ( -0.335 -8.622 9.009) 12.474 7.473 ( 9.385 -5.129 -3.814) 11.355 7.584 ( 6.591 0.415 1.800) 6.845 7.990 ( -0.853 0.584 12.860) 12.902 8.145 ( -4.737 6.233 -1.024) 7.895 8.513 ( 9.276 2.190 8.145) 12.537 8.658 ( 3.670 -3.994 0.982) 5.513 8.863 ( 1.382 -0.026 -2.521) 2.875 8.975 ( -0.227 4.004 -6.836) 7.925 9.354 ( -0.192 8.591 -4.481) 9.691 9.962 ( -13.172 1.380 -0.054) 13.245 10.352 ( 4.475 -2.386 5.294) 7.331 10.740 ( -6.679 4.273 -3.703) 8.751 11.726 ( 4.777 -1.184 -9.577) 10.767 12.489 ( -19.151 -10.024 4.460) 22.071 12.724 ( -7.287 -28.174 21.368) 36.103 14.543 ( 14.519 30.254 15.018) 36.765 15.579 ( 1.336 8.995 -25.829) 27.384 16.571 ( 2.505 -9.110 4.076) 10.290 16.837 ( 10.823 0.434 1.316) 10.911 18.734 ( -8.519 2.698 0.894) 8.981 19.331 ( -3.608 -5.868 -7.400) 10.110 ======================= Grid point 207 (99/260) ======================= q-point: (-0.20 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -23.874 5.338 8.726) 25.974 1.301 ( -15.653 12.730 17.889) 26.964 2.113 ( -8.499 -6.738 0.644) 10.865 2.237 ( -25.342 12.231 6.033) 28.778 2.383 ( -1.123 -7.248 -2.839) 7.864 2.620 ( 2.746 3.471 3.600) 5.705 2.960 ( -21.420 2.444 -15.451) 26.524 3.427 ( 3.892 -10.925 -7.539) 13.832 3.497 ( -12.422 -6.252 -1.314) 13.969 3.856 ( 14.598 8.165 3.957) 17.188 4.256 ( 12.723 8.593 -10.581) 18.646 4.728 ( 0.381 -1.785 4.212) 4.591 4.779 ( -5.550 -7.780 -5.201) 10.880 5.060 ( -2.614 -8.581 1.394) 9.078 5.328 ( 5.294 -4.261 -4.139) 7.957 5.467 ( -5.813 5.929 -9.426) 12.562 5.771 ( 5.314 -3.381 -3.246) 7.086 5.920 ( 2.971 -2.518 3.029) 4.933 6.148 ( 4.757 5.647 0.902) 7.439 7.032 ( -2.062 4.062 5.002) 6.765 7.280 ( -2.696 -10.542 0.951) 10.922 7.544 ( 6.132 -5.662 -10.195) 13.176 7.732 ( 2.825 0.557 9.636) 10.057 8.007 ( -6.024 8.412 -5.110) 11.539 8.103 ( -0.244 1.451 10.183) 10.289 8.689 ( 0.781 -2.916 -0.499) 3.060 8.774 ( 11.266 0.946 4.738) 12.258 8.927 ( 5.352 1.060 5.908) 8.042 8.969 ( 5.237 0.847 -3.574) 6.396 9.366 ( 6.503 13.128 -1.878) 14.770 9.702 ( -14.659 2.974 -3.449) 15.350 10.456 ( 1.825 -1.437 5.123) 5.625 10.606 ( -6.529 2.730 0.479) 7.093 11.725 ( 4.562 -3.577 -8.175) 10.022 12.201 ( -17.199 -8.905 2.457) 19.522 12.710 ( -18.194 -40.162 20.753) 48.731 15.087 ( 28.036 45.501 5.343) 53.712 15.336 ( 0.863 4.565 -13.502) 14.279 16.502 ( -3.367 -5.158 -6.322) 8.827 17.159 ( 16.425 -2.477 6.266) 17.754 18.569 ( -10.979 3.203 0.555) 11.450 19.116 ( -12.259 -7.807 -10.926) 18.183 ======================= Grid point 208 (100/260) ======================= q-point: (-0.10 0.12 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -12.912 5.516 16.970) 22.026 1.154 ( -20.722 14.231 14.120) 28.832 1.866 ( -22.196 1.790 -0.765) 22.281 1.988 ( -12.230 22.635 33.165) 41.975 2.357 ( -0.215 0.478 -2.445) 2.501 2.607 ( -2.763 2.670 2.730) 4.713 2.900 ( 13.106 0.034 15.609) 20.381 3.167 ( -15.909 -2.500 -0.325) 16.107 3.495 ( 7.697 -16.185 -10.244) 20.643 4.093 ( 6.708 13.979 -7.491) 17.220 4.372 ( 8.488 -12.448 -1.042) 15.102 4.560 ( -3.596 2.919 -9.962) 10.986 4.780 ( 0.199 2.184 -3.038) 3.747 5.104 ( 2.522 -3.581 5.570) 7.085 5.240 ( -5.802 4.936 -11.816) 14.059 5.402 ( 4.946 -4.877 -2.230) 7.295 5.847 ( 4.563 -8.176 1.112) 9.429 6.006 ( 2.482 -5.656 4.096) 7.411 6.262 ( 5.718 5.941 5.121) 9.706 6.952 ( -9.234 1.229 1.296) 9.405 7.214 ( -2.947 -6.415 -5.101) 8.709 7.483 ( -3.774 -8.063 -7.383) 11.566 7.815 ( -1.435 6.752 1.882) 7.155 7.857 ( -4.981 7.166 -2.865) 9.185 8.192 ( 2.175 -1.924 5.804) 6.490 8.668 ( -1.026 0.939 -1.512) 2.054 8.985 ( 6.141 0.954 1.695) 6.442 9.027 ( 4.808 -0.413 1.659) 5.103 9.107 ( 8.470 -1.467 -0.461) 8.608 9.403 ( -13.279 2.259 -2.062) 13.627 9.649 ( 23.204 14.224 3.675) 27.463 10.480 ( -4.174 -0.437 2.009) 4.653 10.575 ( 0.612 0.087 7.867) 7.891 11.720 ( 0.508 -10.856 -4.521) 11.770 11.963 ( -12.402 -6.812 2.129) 14.309 12.446 ( -30.991 -35.975 14.899) 49.766 14.851 ( -10.218 28.357 -27.857) 41.043 15.960 ( 29.277 9.011 1.532) 30.671 16.517 ( 17.955 3.839 6.559) 19.497 17.435 ( 8.735 -0.894 3.489) 9.449 18.394 ( -8.615 3.298 0.717) 9.253 18.731 ( -19.509 -4.239 -7.222) 21.230 ======================= Grid point 209 (101/260) ======================= q-point: ( 0.00 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 2.895 19.332 10.011) 21.962 1.388 ( -2.829 16.951 10.051) 19.909 1.998 ( -1.280 14.051 1.547) 14.194 2.437 ( 12.979 -7.100 13.391) 19.955 2.619 ( -2.458 8.943 11.624) 14.870 2.841 ( 15.892 3.580 7.673) 18.006 2.964 ( -1.805 1.320 2.307) 3.213 3.228 ( 3.551 -2.263 4.057) 5.847 3.284 ( 11.764 -2.138 16.710) 20.547 3.850 ( -11.955 -4.618 -6.806) 14.511 4.341 ( -8.038 -9.452 1.244) 12.470 4.589 ( 6.639 6.456 2.638) 9.629 5.062 ( 10.304 14.461 -11.156) 20.970 5.090 ( -0.342 4.389 -8.939) 9.965 5.229 ( 6.014 -13.008 11.879) 18.614 5.332 ( 5.210 1.411 -11.493) 12.698 5.730 ( 2.452 -7.239 -2.502) 8.042 5.883 ( -4.554 -5.798 1.315) 7.489 6.358 ( -3.800 -8.000 7.792) 11.797 6.735 ( 0.133 -10.953 -8.223) 13.697 6.984 ( -7.598 -4.836 -1.680) 9.162 7.197 ( -5.051 0.507 -4.787) 6.978 7.857 ( -2.367 4.731 -9.683) 11.034 7.890 ( -9.313 5.894 -1.661) 11.146 8.270 ( 3.951 2.804 1.808) 5.171 8.677 ( -0.720 0.637 -3.029) 3.178 9.029 ( -4.520 2.797 1.312) 5.475 9.117 ( 4.706 0.895 -0.143) 4.792 9.196 ( 0.190 -0.025 2.388) 2.396 9.350 ( 0.637 2.507 0.577) 2.650 10.282 ( 16.425 6.315 1.248) 17.642 10.359 ( -5.933 1.662 -0.502) 6.181 10.694 ( 4.599 -5.285 12.013) 13.906 11.124 ( -17.864 -13.352 14.024) 26.345 11.797 ( -2.107 -1.455 -1.898) 3.187 11.991 ( -1.151 -5.338 2.484) 5.999 14.902 ( -8.103 14.802 -18.581) 25.100 15.837 ( -0.611 -10.948 -19.006) 21.942 17.222 ( 12.929 5.833 9.999) 17.354 17.512 ( -3.507 1.501 2.226) 4.416 18.396 ( 0.745 2.549 0.164) 2.661 18.502 ( 1.621 0.084 -0.620) 1.737 ======================= Grid point 210 (102/260) ======================= q-point: ( 0.10 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 7.263 15.062 14.204) 21.941 1.661 ( 17.364 11.238 10.534) 23.211 2.048 ( 5.028 6.434 2.443) 8.523 2.715 ( 6.363 3.034 2.373) 7.438 2.818 ( 12.083 -4.928 11.747) 17.558 2.954 ( 1.202 0.782 2.759) 3.110 3.195 ( 15.830 -10.920 -1.892) 19.324 3.339 ( 3.510 11.250 5.813) 13.141 3.574 ( 2.941 -0.483 7.008) 7.616 3.748 ( 3.077 -0.207 13.637) 13.982 4.203 ( -8.268 -3.460 5.366) 10.447 4.688 ( 2.417 5.534 -1.412) 6.201 4.920 ( -5.727 9.132 -9.831) 14.589 5.139 ( 9.081 14.023 -10.784) 19.885 5.271 ( -0.043 -3.603 -7.257) 8.103 5.507 ( 9.719 -6.522 11.379) 16.324 5.750 ( 2.346 -8.297 -3.237) 9.209 5.853 ( 0.508 -15.204 1.275) 15.266 6.311 ( -5.035 -11.424 0.867) 12.514 6.692 ( 1.272 -14.723 -8.259) 16.929 6.811 ( -8.413 -1.673 -3.467) 9.252 7.101 ( -4.141 4.208 2.108) 6.269 7.627 ( -14.360 8.934 -5.835) 17.890 7.745 ( -0.610 3.311 -9.902) 10.459 8.344 ( 0.970 1.970 1.946) 2.934 8.610 ( -3.120 0.397 -3.041) 4.375 8.889 ( -10.648 5.284 0.962) 11.926 9.161 ( -2.553 1.763 3.741) 4.860 9.254 ( 5.956 -2.556 -0.478) 6.498 9.403 ( 3.371 2.042 0.110) 3.943 10.179 ( -9.537 -1.593 -1.575) 9.797 10.537 ( 6.847 9.198 1.484) 11.563 10.884 ( -1.897 -15.097 13.732) 20.496 11.109 ( 8.717 -1.553 9.871) 13.260 11.766 ( 1.636 -0.784 -3.483) 3.927 12.053 ( 4.900 -4.791 2.886) 7.436 14.636 ( -7.221 12.828 -9.727) 17.644 15.637 ( -1.980 -14.216 -19.451) 24.174 17.309 ( -11.041 4.893 5.424) 13.239 17.372 ( -10.262 4.654 3.573) 11.821 18.490 ( 8.216 1.569 0.677) 8.391 18.677 ( 16.744 -2.201 -3.024) 17.157 ======================= Grid point 211 (103/260) ======================= q-point: ( 0.20 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 13.624 7.523 12.028) 19.670 2.062 ( 15.775 7.487 10.923) 20.597 2.220 ( 10.262 1.460 6.164) 12.060 2.811 ( 1.900 -2.445 -0.297) 3.111 2.864 ( 3.483 4.901 -9.658) 11.377 3.141 ( -0.382 4.066 8.977) 9.863 3.391 ( 13.564 -7.966 -4.607) 16.391 3.418 ( 2.222 -6.091 5.134) 8.270 3.670 ( 0.316 0.724 2.820) 2.929 3.981 ( 11.226 2.574 13.171) 17.497 4.226 ( 1.537 4.767 4.967) 7.054 4.609 ( -6.612 3.543 -11.119) 13.413 4.767 ( -2.605 12.937 -0.604) 13.210 5.170 ( 2.705 13.195 -6.621) 15.009 5.231 ( 2.307 -6.792 -4.238) 8.331 5.711 ( 1.645 -0.862 5.962) 6.244 5.773 ( 5.166 -9.543 -0.609) 10.869 5.934 ( 5.396 -19.814 4.864) 21.103 6.248 ( 1.223 -8.317 -6.685) 10.740 6.551 ( -8.341 -15.093 -4.837) 17.910 6.677 ( -4.558 0.760 -3.782) 5.972 7.077 ( -4.148 0.734 4.038) 5.835 7.370 ( -8.330 10.073 -1.786) 13.193 7.662 ( 0.809 2.954 -8.096) 8.656 8.306 ( -6.897 4.477 0.778) 8.259 8.532 ( -2.797 -0.417 -2.730) 3.930 8.747 ( -6.720 2.318 2.567) 7.558 9.090 ( -7.951 -1.801 1.588) 8.305 9.340 ( 3.693 0.157 -2.370) 4.391 9.480 ( 5.121 2.344 2.533) 6.176 10.005 ( -7.540 -0.686 -3.461) 8.324 10.578 ( -6.373 4.849 9.601) 12.502 10.980 ( 6.233 -2.712 1.844) 7.043 11.449 ( 16.729 -5.028 8.008) 19.217 11.778 ( 4.065 -0.696 -5.318) 6.730 12.201 ( 7.183 -6.005 5.953) 11.095 14.480 ( -4.758 7.383 -1.705) 8.948 15.415 ( -3.742 -16.697 -17.098) 24.190 17.056 ( -15.152 9.229 -2.418) 17.906 17.270 ( -10.176 3.129 8.228) 13.455 18.648 ( 8.654 1.580 0.572) 8.816 18.931 ( 15.676 -3.541 -4.335) 16.646 ======================= Grid point 212 (104/260) ======================= q-point: ( 0.30 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 11.190 2.429 5.339) 12.634 2.373 ( 6.705 3.062 6.815) 10.039 2.463 ( 9.228 -1.171 13.359) 16.279 2.761 ( 0.712 -0.588 -8.345) 8.396 2.937 ( 10.821 12.690 -8.354) 18.653 3.056 ( -10.955 2.432 0.133) 11.222 3.304 ( -13.116 -7.372 -0.600) 15.058 3.535 ( 3.027 -2.906 5.303) 6.763 3.900 ( 18.307 0.572 -7.592) 19.827 4.168 ( -6.726 1.118 -1.119) 6.910 4.293 ( 9.619 3.701 6.685) 12.285 4.483 ( 8.068 4.583 -7.157) 11.719 4.687 ( -4.865 4.083 -7.403) 9.754 5.172 ( -1.203 -6.208 -0.006) 6.323 5.224 ( 2.961 8.997 -2.959) 9.923 5.748 ( -2.572 -1.692 6.669) 7.346 5.860 ( 2.286 -8.361 0.549) 8.686 6.065 ( 0.595 -10.287 4.560) 11.268 6.188 ( 2.227 -4.395 -7.625) 9.078 6.473 ( 3.919 -3.640 0.812) 5.410 6.554 ( -5.992 -3.586 -3.001) 7.600 6.991 ( -7.023 -0.462 2.502) 7.470 7.342 ( 1.398 2.791 3.282) 4.529 7.632 ( 1.598 2.429 -2.444) 3.798 8.164 ( -8.403 6.867 0.427) 10.860 8.464 ( -2.694 -1.429 -1.384) 3.349 8.691 ( -4.209 0.088 3.283) 5.338 8.948 ( -7.936 -4.082 -0.530) 8.940 9.331 ( -0.862 3.396 -3.140) 4.705 9.619 ( 7.187 0.980 3.199) 7.927 9.863 ( -5.265 -0.085 -3.616) 6.388 10.538 ( -7.981 3.308 9.354) 12.733 11.099 ( 7.626 3.512 -3.545) 9.114 11.758 ( 6.739 -0.334 3.342) 7.530 11.822 ( 11.302 -5.602 -3.486) 13.087 12.395 ( 6.385 -8.304 9.446) 14.105 14.428 ( -2.632 1.979 2.868) 4.367 15.224 ( -2.215 -16.906 -10.370) 19.957 16.783 ( -11.737 11.761 -6.082) 17.694 17.170 ( -9.196 2.054 6.340) 11.357 18.786 ( 6.556 1.915 0.749) 6.871 19.127 ( 11.564 -3.727 -4.024) 12.799 ======================= Grid point 213 (105/260) ======================= q-point: ( 0.40 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 1.165 -0.792 0.736) 1.589 2.429 ( -1.555 -2.499 3.222) 4.364 2.654 ( 2.499 -2.052 -9.836) 10.354 2.735 ( -15.872 9.609 -3.024) 18.799 2.823 ( 10.714 2.043 9.125) 14.221 3.021 ( -10.825 -1.765 0.764) 10.994 3.147 ( 7.421 6.349 -9.726) 13.783 3.574 ( -5.468 4.152 -1.847) 7.110 3.821 ( 0.990 1.060 -9.508) 9.618 4.179 ( -6.454 -4.487 -9.274) 12.157 4.434 ( 8.297 4.417 -0.561) 9.416 4.563 ( 10.764 -2.504 -9.150) 14.347 4.747 ( 14.829 2.398 3.885) 15.516 5.078 ( -5.276 -7.843 -1.713) 9.607 5.301 ( 2.268 2.088 4.031) 5.074 5.651 ( -12.492 2.012 -2.877) 12.976 5.801 ( -5.103 -2.380 -1.734) 5.892 6.120 ( 1.698 2.293 5.899) 6.553 6.269 ( 6.001 -2.850 2.313) 7.034 6.431 ( -2.417 -7.352 -5.812) 9.679 6.626 ( 9.529 1.963 3.862) 10.467 6.939 ( -5.033 -3.448 9.399) 11.206 7.402 ( 4.802 -2.197 -3.011) 6.079 7.673 ( 0.619 -0.364 6.597) 6.636 8.072 ( -2.654 6.896 1.572) 7.554 8.417 ( -2.710 -0.669 1.500) 3.169 8.627 ( -5.382 -0.014 0.951) 5.465 8.850 ( -2.582 -4.621 -0.242) 5.299 9.277 ( -1.201 4.573 -3.762) 6.042 9.746 ( -4.418 4.416 -1.929) 6.537 9.777 ( 6.776 -4.008 2.715) 8.328 10.476 ( -7.788 2.823 6.345) 10.435 11.158 ( 4.030 6.572 -5.824) 9.662 11.780 ( 3.387 0.620 -7.503) 8.255 12.053 ( 8.608 -7.201 6.095) 12.771 12.565 ( 1.437 -11.170 10.890) 15.666 14.414 ( -2.261 0.918 2.891) 3.784 15.211 ( 6.642 -15.011 1.421) 16.476 16.543 ( -7.505 12.666 -10.146) 17.880 17.068 ( -7.840 0.736 3.127) 8.473 18.883 ( 3.487 2.425 1.164) 4.404 19.257 ( 7.466 -3.761 -3.299) 8.987 ======================= Grid point 214 (106/260) ======================= q-point: (-0.50 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -10.968 -0.399 -3.022) 11.383 2.290 ( -13.612 4.744 -3.842) 14.918 2.516 ( -10.317 4.383 -5.627) 12.543 2.591 ( 0.049 -10.747 -5.256) 11.963 2.855 ( -6.585 1.186 0.771) 6.736 3.045 ( 6.334 -1.665 3.286) 7.327 3.149 ( 5.117 13.112 -12.591) 18.885 3.394 ( -6.213 1.829 -5.927) 8.779 3.872 ( -6.850 0.254 -10.109) 12.214 3.908 ( 6.359 -4.125 -4.725) 8.932 4.482 ( 3.522 2.356 -10.088) 10.942 4.721 ( 7.776 -1.519 1.688) 8.101 4.917 ( -6.450 -2.636 -0.557) 6.991 5.115 ( 12.566 -3.169 3.209) 13.351 5.279 ( -11.054 -1.610 5.185) 12.315 5.468 ( -0.803 7.559 -0.473) 7.616 5.685 ( -4.683 4.645 -4.472) 7.969 6.073 ( -3.202 -6.974 -7.564) 10.775 6.354 ( 0.125 -1.836 -9.313) 9.493 6.473 ( 6.243 2.904 14.851) 16.370 6.840 ( 9.163 1.058 5.420) 10.699 6.993 ( -1.128 -6.754 14.179) 15.746 7.460 ( 7.962 -1.441 -7.822) 11.254 7.752 ( -1.469 -4.833 11.216) 12.301 8.106 ( 4.192 5.382 2.185) 7.163 8.404 ( -2.500 3.222 5.794) 7.086 8.557 ( -1.524 -1.707 -1.937) 2.998 8.834 ( -0.176 -2.642 0.603) 2.716 9.225 ( -0.486 4.292 -4.706) 6.388 9.639 ( -5.168 2.720 -1.919) 6.147 9.933 ( 6.510 -2.053 4.808) 8.349 10.385 ( -7.766 2.670 3.068) 8.766 11.129 ( -0.614 7.999 -6.671) 10.434 11.760 ( 3.369 0.039 -9.281) 9.874 12.205 ( 1.009 -10.031 8.642) 13.278 12.613 ( -7.028 -13.640 9.119) 17.849 14.444 ( 2.886 7.460 5.779) 9.868 15.463 ( 15.152 -13.047 9.473) 22.126 16.337 ( -3.591 11.651 -13.449) 18.153 16.955 ( -6.345 -0.808 -1.053) 6.482 18.924 ( -0.170 3.059 1.509) 3.416 19.322 ( 3.273 -4.098 -2.950) 6.017 ======================= Grid point 215 (107/260) ======================= q-point: (-0.40 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -11.894 1.871 0.877) 12.072 2.007 ( -18.085 9.579 2.180) 20.581 2.193 ( -13.667 0.492 -11.528) 17.887 2.533 ( -2.345 -11.384 -5.877) 13.025 2.721 ( -6.033 1.636 -9.010) 10.966 3.082 ( -0.506 -2.420 -6.397) 6.859 3.153 ( 4.359 3.127 -3.110) 6.201 3.298 ( 0.456 2.572 -6.058) 6.597 3.651 ( -5.963 -2.177 -4.567) 7.820 4.061 ( 5.381 -0.774 2.323) 5.912 4.422 ( 1.315 6.152 -9.779) 11.628 4.686 ( -13.288 2.414 -2.785) 13.790 4.803 ( -0.175 0.074 1.433) 1.445 5.105 ( -6.334 -2.246 2.518) 7.176 5.337 ( -3.068 -4.609 -2.456) 6.057 5.499 ( 7.749 0.212 3.237) 8.401 5.639 ( 4.619 8.510 -4.056) 10.498 5.955 ( -3.003 -6.787 -5.874) 9.465 6.265 ( 0.385 5.845 -8.934) 10.683 6.706 ( 4.917 -4.105 13.935) 15.337 7.002 ( 2.202 -3.912 8.593) 9.695 7.164 ( 7.200 -5.367 8.937) 12.669 7.531 ( 8.538 1.093 -7.639) 11.509 7.833 ( -0.744 -6.246 11.253) 12.892 8.227 ( 7.246 4.120 0.075) 8.335 8.447 ( -0.361 6.662 9.671) 11.749 8.542 ( 2.086 -2.937 -2.541) 4.409 8.846 ( 0.861 -0.623 0.605) 1.223 9.162 ( -1.291 4.335 -6.145) 7.630 9.547 ( -3.875 4.031 -0.159) 5.594 10.070 ( 2.480 -1.767 4.828) 5.708 10.279 ( -5.245 2.512 1.137) 5.926 11.022 ( -4.732 8.192 -6.184) 11.302 11.727 ( 3.196 -1.114 -10.306) 10.848 12.236 ( -8.619 -15.539 11.343) 21.081 12.509 ( -12.088 -12.752 6.826) 18.851 14.656 ( 12.125 16.219 12.345) 23.717 15.812 ( 13.653 -4.643 2.198) 14.587 16.206 ( 3.147 3.815 -7.483) 8.969 16.836 ( -3.371 -2.332 -5.705) 7.025 18.902 ( -4.161 3.678 1.529) 5.760 19.309 ( -1.503 -4.970 -3.423) 6.219 ======================= Grid point 216 (108/260) ======================= q-point: (-0.30 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -19.904 7.469 4.844) 21.804 1.731 ( -16.482 13.031 8.243) 22.570 1.980 ( -2.022 -4.815 -2.426) 5.759 2.380 ( -6.023 -6.427 -9.557) 12.997 2.543 ( -2.710 -0.208 -9.673) 10.047 2.983 ( -4.635 2.371 -5.059) 7.259 3.133 ( -5.970 -5.556 -6.308) 10.310 3.282 ( 4.917 0.279 -0.649) 4.967 3.514 ( -10.312 -2.091 -3.451) 11.073 4.019 ( -11.570 3.445 7.427) 14.174 4.463 ( 14.683 17.152 -11.472) 25.326 4.533 ( -4.896 -4.496 4.016) 7.766 4.776 ( -2.423 -1.217 -0.788) 2.824 5.005 ( -7.023 -6.069 -2.742) 9.679 5.203 ( -0.746 -5.679 -7.302) 9.281 5.635 ( 4.345 -0.568 -5.469) 7.008 5.702 ( 2.217 1.401 0.317) 2.641 5.874 ( -0.734 1.523 0.376) 1.732 6.230 ( 2.405 7.186 -4.066) 8.600 6.886 ( 2.227 -13.333 10.574) 17.162 7.086 ( -0.444 -2.389 6.277) 6.730 7.344 ( 7.120 -6.619 0.913) 9.764 7.620 ( 7.307 2.382 -1.607) 7.852 7.941 ( 2.394 -4.731 8.791) 10.266 8.298 ( 1.389 6.973 -2.135) 7.423 8.578 ( 3.848 -3.035 -1.214) 5.049 8.592 ( 7.204 5.207 8.662) 12.411 8.877 ( 2.440 0.972 0.740) 2.729 9.076 ( -2.028 5.446 -4.783) 7.527 9.511 ( -0.984 4.223 1.227) 4.506 10.020 ( -7.860 4.420 -1.981) 9.233 10.310 ( 3.289 -1.400 5.723) 6.747 10.863 ( -7.740 7.395 -4.161) 11.485 11.675 ( 1.577 -4.282 -10.602) 11.542 12.110 ( -17.050 -17.637 11.586) 27.130 12.370 ( -11.835 -11.282 8.073) 18.236 15.078 ( 19.932 20.184 17.550) 33.357 15.821 ( 3.617 12.067 -22.000) 25.352 16.364 ( 5.692 -9.349 6.302) 12.630 16.799 ( 8.843 -3.917 -4.356) 10.607 18.809 ( -8.026 4.117 1.169) 9.096 19.198 ( -7.401 -6.057 -4.673) 10.644 ======================= Grid point 217 (109/260) ======================= q-point: (-0.20 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -18.767 13.515 6.428) 24.004 1.598 ( -11.613 12.760 13.161) 21.700 1.989 ( -1.570 -3.318 4.849) 6.082 2.235 ( -2.767 -3.630 -1.513) 4.809 2.479 ( 1.481 3.628 -2.627) 4.718 2.807 ( -11.871 14.230 5.059) 19.209 2.945 ( -8.752 -3.213 -9.134) 13.052 3.248 ( -9.025 -1.913 -3.153) 9.749 3.321 ( -5.694 -9.773 0.109) 11.311 3.970 ( 0.887 0.222 5.482) 5.557 4.510 ( -0.142 13.363 -6.487) 14.854 4.604 ( 0.579 -6.705 2.510) 7.183 4.756 ( 8.745 3.772 -6.330) 11.435 4.866 ( -3.870 -10.244 1.023) 10.998 5.210 ( 7.029 -4.061 -6.470) 10.381 5.527 ( -5.152 0.638 -10.398) 11.621 5.718 ( 2.445 -2.173 -3.773) 4.994 5.935 ( 0.411 4.438 6.172) 7.613 6.254 ( 2.040 3.992 0.504) 4.511 6.943 ( -4.305 -20.564 4.523) 21.492 7.110 ( -1.257 2.451 2.923) 4.016 7.402 ( 2.840 -7.170 -6.813) 10.290 7.762 ( 6.937 2.011 4.977) 8.772 8.043 ( 0.953 -2.440 3.126) 4.078 8.258 ( -1.716 9.753 -2.730) 10.272 8.637 ( 3.441 -1.911 -0.402) 3.957 8.820 ( 11.126 2.892 4.427) 12.319 8.959 ( 6.131 0.806 0.880) 6.246 9.028 ( -0.850 5.373 0.268) 5.447 9.521 ( -1.497 0.890 3.126) 3.579 9.867 ( -3.282 11.798 -4.687) 13.112 10.420 ( 2.231 -1.960 6.654) 7.287 10.692 ( -9.010 5.582 -0.686) 10.621 11.561 ( -6.704 -12.530 -5.774) 15.339 11.935 ( -12.381 -10.067 8.544) 18.101 12.228 ( -13.798 -11.686 8.419) 19.946 15.460 ( 2.693 7.249 -7.652) 10.879 15.808 ( 22.207 22.140 -4.766) 31.718 16.385 ( 2.143 -3.832 -3.486) 5.606 17.079 ( 17.857 -5.047 5.475) 19.348 18.653 ( -10.688 4.283 0.587) 11.529 18.966 ( -13.872 -5.683 -5.350) 15.917 ======================= Grid point 218 (110/260) ======================= q-point: (-0.10 0.25 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -6.924 17.741 8.985) 21.058 1.498 ( -13.628 16.049 9.492) 23.095 2.010 ( -0.848 10.308 4.119) 11.133 2.236 ( -2.099 -7.496 8.989) 11.891 2.500 ( -1.105 17.619 14.339) 22.743 2.709 ( -4.575 4.597 -4.144) 7.697 2.897 ( 8.430 2.209 15.077) 17.414 3.076 ( -8.415 -4.697 -3.995) 10.433 3.230 ( -2.643 -6.499 1.635) 7.204 4.060 ( -0.927 -13.404 -1.848) 13.563 4.375 ( -0.573 6.014 -5.001) 7.843 4.566 ( -4.741 1.206 -0.080) 4.892 4.928 ( 10.927 3.547 0.603) 11.504 4.945 ( 8.618 -5.752 3.212) 10.847 5.260 ( 2.922 -1.675 -7.758) 8.458 5.352 ( 0.358 2.086 -12.482) 12.660 5.720 ( 1.763 -4.107 -3.054) 5.413 5.947 ( -4.107 0.866 3.347) 5.368 6.310 ( 0.857 -0.918 5.748) 5.883 6.848 ( -5.905 -16.261 -3.148) 17.584 7.087 ( -4.202 -0.981 1.368) 4.527 7.331 ( -2.330 -5.162 -8.407) 10.137 7.916 ( 3.676 2.755 5.050) 6.827 7.989 ( -3.554 3.188 -6.606) 8.151 8.234 ( -0.463 6.862 0.316) 6.885 8.681 ( 2.485 -0.247 -1.652) 2.994 9.014 ( 7.591 0.431 0.781) 7.643 9.032 ( 1.196 1.826 0.774) 2.315 9.102 ( 7.281 1.375 2.090) 7.699 9.442 ( -9.659 0.824 2.046) 9.908 9.949 ( 15.350 13.031 0.305) 20.138 10.473 ( -4.553 -0.476 3.488) 5.755 10.584 ( -2.966 1.377 5.986) 6.821 11.346 ( -17.320 -18.085 6.170) 25.790 11.850 ( -4.095 -3.377 1.966) 5.660 12.066 ( -11.190 -8.793 5.362) 15.208 15.227 ( -5.999 11.714 -23.144) 26.624 15.989 ( 2.928 -5.271 -14.500) 15.704 16.713 ( 28.647 12.477 11.929) 33.446 17.399 ( 11.560 -2.684 5.267) 12.983 18.475 ( -9.020 3.988 0.061) 9.863 18.660 ( -14.938 -2.286 -3.062) 15.419 ======================= Grid point 219 (111/260) ======================= q-point: ( 0.00 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 9.878 19.441 2.275) 21.925 1.739 ( -5.849 14.993 9.272) 18.573 2.129 ( -3.459 -5.883 11.567) 13.430 2.357 ( 13.754 -1.450 -2.811) 14.113 2.676 ( 6.287 -2.085 7.233) 9.807 2.814 ( 2.604 7.422 2.503) 8.254 2.945 ( 0.458 -2.963 2.445) 3.868 3.203 ( 5.829 -5.359 11.687) 14.117 3.557 ( 4.741 19.880 18.334) 27.456 3.783 ( -4.163 0.604 0.289) 4.217 4.088 ( -6.179 -11.874 4.600) 14.154 4.639 ( 4.364 -11.536 3.980) 12.960 4.926 ( 3.385 -0.712 7.938) 8.658 5.210 ( 10.076 2.068 -9.178) 13.786 5.310 ( -0.353 5.357 -10.205) 11.531 5.445 ( 9.194 11.221 -8.683) 16.906 5.615 ( 1.006 -2.961 -6.459) 7.176 5.864 ( -10.308 3.193 -0.402) 10.799 6.137 ( -8.493 -12.871 5.347) 16.321 6.344 ( -0.176 -19.540 -6.448) 20.577 7.016 ( -3.539 4.121 -5.658) 7.843 7.185 ( -1.613 -2.287 -3.689) 4.630 7.922 ( -3.050 2.595 -6.247) 7.421 7.980 ( -5.307 1.806 -1.275) 5.749 8.391 ( 1.507 7.354 -2.296) 7.850 8.649 ( 0.197 -3.262 -4.277) 5.382 9.074 ( -0.969 1.421 2.099) 2.713 9.117 ( 5.587 -0.577 -0.994) 5.704 9.237 ( -2.388 3.802 4.045) 6.043 9.380 ( -1.375 -0.308 2.497) 2.867 10.312 ( -5.315 0.972 5.052) 7.397 10.457 ( 7.278 -0.729 4.173) 8.421 10.628 ( -2.433 3.649 7.074) 8.323 10.930 ( -4.677 -6.820 9.135) 12.322 11.775 ( -0.782 -0.228 -1.744) 1.925 11.880 ( 0.369 -4.859 0.739) 4.928 15.164 ( -5.955 10.691 -20.170) 23.592 15.602 ( -3.061 -10.864 -20.394) 23.309 17.350 ( 7.649 5.820 9.432) 13.467 17.515 ( 0.365 -1.308 5.177) 5.352 18.447 ( -0.236 2.083 -0.753) 2.228 18.499 ( 0.782 -0.424 -1.004) 1.342 ======================= Grid point 220 (112/260) ======================= q-point: ( 0.10 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 3.575 18.304 8.444) 20.472 1.924 ( 16.687 13.434 2.631) 21.583 2.175 ( -0.025 3.154 6.956) 7.638 2.621 ( 15.388 -11.130 -3.081) 19.240 2.790 ( 3.049 3.856 11.506) 12.512 2.951 ( -2.368 0.276 9.897) 10.180 3.031 ( 11.928 -3.850 -0.020) 12.534 3.328 ( 0.584 -8.992 1.320) 9.107 3.785 ( 5.184 8.233 16.126) 18.834 3.855 ( 3.371 17.186 4.218) 18.014 4.095 ( 1.953 -6.907 11.600) 13.641 4.713 ( 3.184 -7.539 -4.438) 9.310 5.039 ( -1.069 -4.202 6.317) 7.662 5.175 ( -2.053 10.347 -6.668) 12.479 5.351 ( 7.792 -7.421 0.203) 10.763 5.500 ( 6.241 14.096 -8.839) 17.770 5.570 ( 1.114 -7.418 -5.402) 9.244 5.717 ( -3.152 1.553 -2.763) 4.470 6.051 ( -3.465 -12.885 0.530) 13.353 6.271 ( -1.235 -19.846 -7.072) 21.105 6.894 ( -3.839 5.729 -6.767) 9.662 7.121 ( -2.734 -2.441 -1.873) 4.116 7.779 ( -9.794 5.006 -5.066) 12.110 7.815 ( -4.611 3.358 -6.873) 8.932 8.412 ( 1.223 3.801 -0.314) 4.005 8.583 ( -2.499 -2.882 -4.387) 5.813 9.001 ( -10.415 5.192 3.023) 12.023 9.159 ( -5.641 -2.272 4.089) 7.328 9.251 ( 5.197 2.895 0.346) 5.959 9.418 ( 3.316 -1.399 0.391) 3.620 10.192 ( -9.327 3.532 3.025) 10.422 10.562 ( -8.008 -11.105 14.120) 19.668 10.775 ( 15.260 8.274 0.050) 17.359 11.059 ( 9.563 -3.527 7.281) 12.526 11.764 ( 1.760 0.953 -2.349) 3.086 11.932 ( 4.254 -6.083 1.433) 7.560 14.882 ( -7.086 10.704 -15.596) 20.200 15.350 ( -4.475 -12.507 -19.778) 23.824 17.399 ( -9.202 3.534 6.927) 12.048 17.445 ( -10.412 1.946 3.908) 11.291 18.529 ( 8.888 2.050 -0.452) 9.133 18.627 ( 13.233 -2.414 -1.850) 13.578 ======================= Grid point 221 (113/260) ======================= q-point: ( 0.20 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 7.730 13.595 4.690) 16.327 2.235 ( 13.467 5.051 2.677) 14.631 2.284 ( 5.420 7.145 9.583) 13.125 2.770 ( 7.648 -4.996 -0.318) 9.141 2.875 ( -4.140 1.686 0.851) 4.550 3.139 ( 11.098 -2.012 12.947) 17.170 3.222 ( 7.892 -6.368 -0.195) 10.143 3.321 ( -0.349 -9.754 3.636) 10.415 3.844 ( -0.002 18.532 -3.350) 18.833 4.091 ( 12.631 6.799 12.309) 18.902 4.302 ( 5.700 0.548 8.157) 9.966 4.613 ( -6.186 -5.670 -11.432) 14.181 4.971 ( -9.292 3.248 -0.392) 9.851 5.098 ( -1.864 2.355 -2.483) 3.897 5.401 ( -2.851 -3.791 -0.110) 4.744 5.570 ( 4.434 -9.297 -2.162) 10.524 5.613 ( 11.165 0.895 -1.968) 11.372 5.730 ( 4.715 2.899 1.135) 5.650 6.056 ( 4.976 -9.634 -5.214) 12.031 6.201 ( 0.829 -15.960 -1.108) 16.020 6.760 ( -5.136 6.425 -5.676) 9.993 7.052 ( -3.864 -4.072 -1.419) 5.790 7.558 ( -8.447 7.537 -4.798) 12.296 7.701 ( -2.893 0.846 -4.790) 5.660 8.399 ( -2.687 3.484 -0.413) 4.419 8.507 ( -2.134 -1.921 -2.974) 4.134 8.822 ( -12.018 5.075 3.287) 13.453 9.037 ( -11.177 -3.404 2.559) 11.960 9.347 ( 4.813 1.291 -0.881) 5.061 9.491 ( 4.193 -2.329 1.135) 4.929 10.075 ( -7.038 7.918 2.572) 10.901 10.539 ( -8.478 -8.310 12.822) 17.474 11.032 ( 14.984 7.151 -2.368) 16.771 11.344 ( 15.313 -5.460 5.508) 17.165 11.786 ( 2.890 2.129 -2.085) 4.152 12.045 ( 6.011 -8.166 3.443) 10.708 14.650 ( -6.329 8.568 -8.877) 13.866 15.096 ( -5.347 -13.270 -15.832) 21.339 17.214 ( -13.385 5.653 0.756) 14.550 17.314 ( -10.698 0.793 5.858) 12.222 18.693 ( 9.778 2.765 -0.374) 10.168 18.849 ( 13.649 -4.094 -2.512) 14.470 ======================= Grid point 222 (114/260) ======================= q-point: ( 0.30 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.653 5.282 -0.367) 7.745 2.357 ( -0.220 -4.285 2.921) 5.190 2.545 ( 11.484 8.607 8.332) 16.595 2.766 ( -5.334 3.957 -0.013) 6.641 2.958 ( 9.271 -4.877 0.024) 10.475 3.124 ( -11.797 -6.080 3.937) 13.843 3.375 ( 4.172 9.335 -0.144) 10.226 3.479 ( 8.919 -1.324 2.226) 9.287 3.925 ( 14.618 6.301 -3.743) 16.352 4.246 ( -13.082 3.052 -8.889) 16.108 4.377 ( 6.189 3.811 5.845) 9.327 4.500 ( 6.718 -4.448 -2.468) 8.427 4.764 ( -6.785 5.226 -6.278) 10.619 5.046 ( -4.366 -1.278 0.751) 4.611 5.323 ( -3.750 -2.657 -2.551) 5.256 5.606 ( 2.315 -15.793 -3.196) 16.279 5.786 ( 3.959 3.136 -0.067) 5.051 5.852 ( 10.135 -4.735 -0.211) 11.188 6.104 ( 7.870 -1.928 1.224) 8.194 6.354 ( 7.484 -7.230 9.632) 14.180 6.615 ( -5.025 7.819 -5.200) 10.650 6.958 ( -5.495 -4.153 -0.691) 6.922 7.425 ( -2.533 5.100 -3.726) 6.805 7.628 ( -2.189 -2.296 -1.485) 3.502 8.320 ( -5.373 6.656 -0.538) 8.571 8.448 ( -2.099 -0.288 -1.609) 2.661 8.692 ( -7.092 0.752 4.480) 8.423 8.855 ( -10.763 -4.732 1.417) 11.843 9.384 ( 1.264 2.324 -2.084) 3.368 9.570 ( 3.478 -5.121 0.772) 6.238 10.000 ( -4.558 12.092 3.172) 13.306 10.507 ( -7.093 -6.556 8.931) 13.155 11.233 ( 11.747 8.709 -4.607) 15.332 11.642 ( 13.814 -8.874 1.490) 16.487 11.821 ( 2.614 4.465 0.371) 5.187 12.188 ( 5.098 -10.638 5.598) 13.057 14.513 ( -3.474 5.924 -2.251) 7.227 14.909 ( -2.323 -12.814 -7.859) 15.211 16.991 ( -11.186 7.911 -2.836) 13.992 17.182 ( -9.549 -1.088 3.381) 10.188 18.844 ( 7.632 3.495 0.021) 8.394 19.035 ( 10.415 -4.797 -2.335) 11.702 ======================= Grid point 223 (115/260) ======================= q-point: ( 0.40 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.653 -0.182 -3.404) 3.471 2.328 ( -2.959 -6.654 -0.932) 7.342 2.636 ( -5.360 3.573 -1.562) 6.628 2.806 ( 6.589 1.657 2.838) 7.363 2.887 ( -13.702 0.024 -0.629) 13.717 3.050 ( -2.546 0.678 3.489) 4.372 3.394 ( 3.573 13.369 -5.553) 14.911 3.632 ( 4.556 1.639 -0.757) 4.901 3.888 ( -6.999 3.720 -12.923) 15.160 4.057 ( -4.328 -6.155 -9.427) 12.061 4.475 ( 9.489 0.313 1.076) 9.555 4.578 ( 6.228 0.441 -4.264) 7.561 4.823 ( 11.899 6.025 0.174) 13.338 4.944 ( -7.516 -1.729 1.371) 7.833 5.258 ( -4.067 -4.376 3.489) 6.918 5.576 ( 0.329 -11.224 -6.050) 12.755 5.796 ( 2.392 3.537 -3.291) 5.391 6.039 ( 9.597 -7.319 -1.164) 12.125 6.312 ( 3.904 2.047 10.012) 10.939 6.361 ( -9.296 2.467 1.981) 9.820 6.676 ( 11.000 2.822 3.852) 11.992 6.878 ( -3.663 -3.280 2.359) 5.453 7.392 ( 2.294 1.657 -3.396) 4.421 7.598 ( -1.448 -5.529 1.765) 5.982 8.237 ( -2.895 7.776 -0.210) 8.300 8.422 ( 0.126 0.232 -0.168) 0.312 8.615 ( -7.241 -0.298 4.113) 8.333 8.751 ( -3.268 -4.774 3.752) 6.896 9.363 ( -0.734 3.844 -2.918) 4.881 9.610 ( 0.482 -7.563 -0.045) 7.579 9.983 ( -1.325 13.291 4.270) 14.022 10.456 ( -6.300 -5.108 5.029) 9.544 11.341 ( 6.537 10.249 -6.524) 13.796 11.763 ( 4.801 -4.954 -7.831) 10.436 11.934 ( 4.632 -0.527 7.402) 8.748 12.299 ( 0.510 -12.950 6.503) 14.500 14.496 ( 1.479 6.479 3.174) 7.364 14.916 ( 6.243 -12.664 3.452) 14.535 16.778 ( -8.280 9.478 -7.104) 14.452 17.045 ( -8.009 -2.917 -0.378) 8.532 18.952 ( 4.453 4.080 0.666) 6.076 19.162 ( 6.479 -5.039 -1.753) 8.393 ======================= Grid point 224 (116/260) ======================= q-point: (-0.50 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -5.977 0.794 -5.893) 8.431 2.259 ( -2.596 -6.995 -3.850) 8.395 2.473 ( -9.059 1.008 -6.458) 11.171 2.585 ( -16.859 -0.485 -3.994) 17.333 2.899 ( -0.757 5.087 4.764) 7.011 3.040 ( -0.375 -0.007 -1.810) 1.849 3.328 ( -5.417 3.906 -9.910) 11.950 3.487 ( -8.435 2.561 -4.668) 9.975 3.839 ( -3.591 2.641 -6.890) 8.206 3.929 ( 11.005 1.515 -5.646) 12.461 4.530 ( 0.673 1.465 -11.295) 11.410 4.700 ( 8.631 -2.106 -0.030) 8.884 4.848 ( -6.189 -1.029 0.570) 6.300 5.011 ( 6.515 -5.785 0.203) 8.715 5.270 ( 1.544 2.336 7.940) 8.419 5.557 ( 1.132 -2.124 -1.043) 2.623 5.817 ( 3.282 7.987 -4.219) 9.610 6.017 ( -12.021 3.098 1.037) 12.457 6.266 ( 6.595 -6.162 -6.723) 11.255 6.440 ( -4.066 -6.220 11.750) 13.903 6.886 ( 6.860 2.602 3.107) 7.968 6.911 ( 4.167 -0.932 7.085) 8.273 7.441 ( 6.643 0.185 -2.824) 7.221 7.611 ( -0.232 -7.081 4.516) 8.402 8.235 ( 2.877 6.121 -0.248) 6.768 8.438 ( 2.277 -1.928 -1.753) 3.460 8.564 ( -3.840 4.045 7.594) 9.422 8.772 ( -0.231 -3.535 5.305) 6.379 9.315 ( -1.341 4.638 -3.175) 5.779 9.590 ( -2.665 -6.431 0.434) 6.974 10.030 ( 1.550 9.734 4.976) 11.041 10.383 ( -5.838 -3.242 2.067) 6.990 11.337 ( 0.668 11.197 -7.623) 13.562 11.739 ( 2.268 -3.244 -9.441) 10.237 12.030 ( -2.069 -4.649 7.274) 8.877 12.309 ( -5.770 -13.769 5.964) 16.077 14.645 ( 9.457 11.017 9.602) 17.407 15.177 ( 14.711 -13.501 12.119) 23.358 16.574 ( -5.337 10.243 -11.749) 16.475 16.897 ( -6.240 -4.597 -5.042) 9.246 19.005 ( 0.611 4.480 1.171) 4.670 19.222 ( 2.042 -5.144 -1.397) 5.708 ======================= Grid point 225 (117/260) ======================= q-point: (-0.40 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -6.123 3.682 -3.896) 8.138 2.147 ( -9.199 0.828 -0.838) 9.274 2.180 ( -14.960 -1.636 -11.168) 18.741 2.326 ( -6.524 -6.851 -3.253) 10.005 2.813 ( -10.263 7.426 -5.032) 13.631 3.022 ( 1.531 -1.126 0.043) 1.901 3.077 ( -9.503 -2.175 -10.759) 14.518 3.433 ( 1.946 -5.339 2.615) 6.255 3.729 ( -4.303 14.350 -7.194) 16.619 4.041 ( 2.359 -0.526 -0.835) 2.557 4.486 ( 7.550 -0.224 -8.451) 11.334 4.672 ( -7.261 -4.815 -5.179) 10.135 4.796 ( 1.305 0.492 -3.033) 3.338 5.007 ( -6.416 -7.081 0.949) 9.603 5.416 ( 1.912 9.362 5.830) 11.193 5.549 ( -0.740 5.426 0.395) 5.491 5.749 ( -2.913 1.623 -6.855) 7.624 5.943 ( 1.744 7.436 3.728) 8.499 6.315 ( 4.942 -1.933 -6.213) 8.171 6.452 ( -5.305 -16.973 10.905) 20.860 6.994 ( 3.449 1.538 4.464) 5.847 7.081 ( 7.327 -2.653 3.308) 8.466 7.550 ( 7.715 0.773 -1.796) 7.959 7.684 ( 3.272 -6.566 6.034) 9.499 8.317 ( 7.019 4.121 -1.573) 8.289 8.468 ( 4.270 -2.984 -3.140) 6.083 8.616 ( -0.727 7.575 10.585) 13.036 8.825 ( 0.758 -1.836 4.774) 5.171 9.261 ( -1.764 5.452 -2.753) 6.357 9.542 ( -3.767 -4.549 2.097) 6.267 10.112 ( 1.933 5.339 4.971) 7.547 10.301 ( -4.645 -0.878 0.739) 4.785 11.231 ( -4.696 11.230 -7.295) 14.191 11.666 ( -0.268 -5.681 -10.806) 12.211 11.998 ( -9.382 -5.426 8.323) 13.665 12.234 ( -8.308 -12.307 5.565) 15.857 14.990 ( 16.480 15.252 15.203) 27.117 15.597 ( 17.620 -12.969 14.746) 26.383 16.384 ( -1.547 10.105 -15.379) 18.467 16.745 ( -2.831 -6.018 -9.863) 11.896 18.990 ( -3.685 4.591 1.229) 6.014 19.201 ( -3.040 -5.155 -1.618) 6.199 ======================= Grid point 226 (118/260) ======================= q-point: (-0.30 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -10.549 6.459 2.296) 12.581 1.875 ( -8.956 -1.272 -0.914) 9.092 1.952 ( -10.229 3.406 -0.259) 10.785 2.264 ( 1.687 -6.877 -4.030) 8.147 2.571 ( -8.133 4.923 -7.441) 12.073 2.856 ( -5.276 -6.794 -7.545) 11.442 3.082 ( 1.994 1.580 3.906) 4.662 3.404 ( -10.341 -5.069 -4.157) 12.244 3.592 ( -3.433 16.589 -2.875) 17.183 3.991 ( -6.784 -3.090 3.694) 8.320 4.484 ( -9.223 -2.543 0.799) 9.601 4.635 ( 12.036 -1.244 -6.006) 13.508 4.773 ( 1.139 -6.180 -9.491) 11.382 4.845 ( -6.665 -0.921 -2.174) 7.071 5.363 ( -6.525 20.606 2.976) 21.818 5.610 ( 3.967 -0.836 -2.978) 5.030 5.667 ( -0.446 -2.612 -5.435) 6.047 6.028 ( 2.738 9.799 3.844) 10.876 6.319 ( -0.891 -0.527 -0.320) 1.083 6.467 ( -2.433 -22.082 5.772) 22.953 7.085 ( 2.724 0.377 3.143) 4.177 7.207 ( 5.567 -5.788 -0.529) 8.048 7.670 ( 7.002 2.284 0.953) 7.427 7.826 ( 6.857 -5.382 4.540) 9.828 8.414 ( 5.574 4.038 -3.026) 7.519 8.529 ( 5.404 -1.900 -2.330) 6.184 8.723 ( 3.395 6.492 8.243) 11.028 8.886 ( 2.305 -0.629 2.998) 3.834 9.208 ( -2.298 7.057 -0.722) 7.456 9.504 ( -3.710 -4.209 3.490) 6.608 10.139 ( -2.426 5.928 0.620) 6.435 10.286 ( 0.684 -1.227 5.020) 5.213 11.053 ( -8.863 10.259 -5.218) 14.526 11.515 ( -7.236 -10.290 -8.343) 15.095 11.901 ( -8.920 -2.464 7.134) 11.685 12.136 ( -8.959 -10.519 5.260) 14.784 15.439 ( 16.396 14.773 14.979) 26.672 15.937 ( 8.696 -4.953 1.010) 10.058 16.295 ( 6.651 6.030 -8.742) 12.531 16.678 ( 8.585 -7.388 -8.544) 14.188 18.900 ( -7.917 4.322 0.820) 9.057 19.084 ( -8.517 -4.745 -2.233) 10.002 ======================= Grid point 227 (119/260) ======================= q-point: (-0.20 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -9.633 11.642 4.822) 15.862 1.762 ( -7.835 2.418 6.852) 10.686 1.923 ( 0.601 -0.688 7.243) 7.300 2.282 ( 2.297 1.322 -0.651) 2.729 2.450 ( -0.171 -0.531 -2.474) 2.536 2.764 ( -0.204 -6.691 -2.416) 7.116 3.098 ( -9.727 3.821 -2.504) 10.746 3.141 ( -5.710 -5.050 -1.459) 7.762 3.459 ( -10.107 20.011 3.248) 22.653 3.931 ( -5.483 -2.381 3.079) 6.724 4.398 ( -3.765 -9.793 9.427) 14.105 4.504 ( -14.045 -13.672 -5.654) 20.400 4.800 ( 6.431 3.525 -4.150) 8.426 4.908 ( 14.680 4.232 -9.018) 17.741 5.320 ( 0.753 17.491 -1.093) 17.542 5.545 ( -2.138 1.687 -8.133) 8.576 5.663 ( 2.477 -2.952 -4.618) 6.015 6.080 ( -1.564 8.293 3.731) 9.227 6.282 ( -5.942 -4.579 5.395) 9.240 6.457 ( -1.499 -21.808 -0.972) 21.881 7.132 ( 0.191 0.281 1.149) 1.199 7.258 ( 3.027 -5.989 -4.374) 8.010 7.814 ( 7.462 2.894 2.903) 8.514 7.971 ( 5.331 -3.944 1.934) 6.908 8.437 ( 1.112 6.770 -3.554) 7.727 8.600 ( 4.598 -1.821 -1.519) 5.174 8.883 ( 8.458 2.885 2.791) 9.362 8.962 ( 4.888 -0.461 0.091) 4.910 9.174 ( -2.503 7.831 2.713) 8.657 9.471 ( -4.469 -4.676 4.144) 7.682 10.107 ( 0.006 9.762 0.273) 9.766 10.368 ( 1.213 -3.255 7.112) 7.915 10.845 ( -11.088 8.612 -1.703) 14.142 11.280 ( -13.929 -12.299 -1.514) 18.644 11.836 ( -4.368 -0.750 3.364) 5.564 12.023 ( -8.826 -8.357 3.876) 12.757 15.629 ( 0.450 8.559 -9.085) 12.490 15.973 ( 1.751 -4.295 -9.696) 10.748 16.481 ( 20.857 11.980 3.168) 24.260 16.942 ( 19.941 -7.909 4.778) 21.977 18.739 ( -10.894 3.720 0.175) 11.513 18.873 ( -12.904 -3.346 -2.462) 13.556 ======================= Grid point 228 (120/260) ======================= q-point: (-0.10 0.38 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.412 18.446 3.946) 18.868 1.755 ( -5.409 7.140 11.685) 14.724 2.026 ( 0.806 -5.232 12.074) 13.184 2.292 ( 0.265 3.715 -2.891) 4.715 2.500 ( 6.319 -3.630 1.498) 7.440 2.808 ( 2.307 3.222 1.845) 4.371 2.901 ( -3.368 -2.883 1.262) 4.610 3.093 ( -4.005 -2.418 4.858) 6.744 3.399 ( -3.966 23.758 12.064) 26.939 3.864 ( -3.900 -4.037 0.631) 5.648 4.227 ( -12.003 -12.774 -2.280) 17.676 4.505 ( 2.086 -16.034 12.063) 20.173 4.843 ( 2.174 7.507 0.290) 7.820 5.083 ( 15.109 1.269 -11.035) 18.753 5.363 ( 7.442 13.116 -6.003) 16.231 5.428 ( -1.942 5.018 -9.330) 10.771 5.649 ( 1.750 -2.904 -6.015) 6.905 6.024 ( -7.901 5.599 1.861) 9.861 6.221 ( -8.280 -9.680 7.990) 15.036 6.405 ( -0.687 -19.786 -5.336) 20.505 7.108 ( -2.539 1.771 -2.017) 3.694 7.239 ( 0.480 -4.024 -5.589) 6.904 7.954 ( 4.644 1.523 1.844) 5.224 8.014 ( -0.357 -0.261 -1.636) 1.694 8.412 ( 0.077 8.332 -3.541) 9.053 8.649 ( 3.144 -2.764 -2.648) 4.954 9.023 ( 5.851 0.505 -0.663) 5.910 9.046 ( 5.337 -0.323 -2.235) 5.795 9.190 ( 0.591 6.141 5.172) 8.051 9.422 ( -5.816 -2.850 4.548) 7.915 10.182 ( 6.975 8.796 3.323) 11.707 10.434 ( -1.709 -3.427 6.222) 7.306 10.667 ( -8.756 6.500 2.713) 11.237 11.042 ( -14.596 -11.194 5.522) 19.205 11.804 ( -1.657 -0.804 0.398) 1.884 11.917 ( -5.831 -5.765 1.706) 8.375 15.440 ( -3.933 9.202 -20.106) 22.458 15.826 ( -2.338 -8.938 -17.576) 19.856 16.970 ( 23.449 11.071 10.232) 27.877 17.316 ( 14.852 -5.216 6.911) 17.191 18.551 ( -9.738 2.947 -0.474) 10.185 18.626 ( -12.047 -1.177 -1.673) 12.220 ======================= Grid point 229 (121/260) ======================= q-point: ( 0.00 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.428 -9.244 8.897) 12.838 1.950 ( 0.428 9.244 8.897) 12.838 2.100 ( 8.449 -17.718 1.325) 19.673 2.100 ( 8.449 17.718 1.325) 19.673 2.816 ( 5.455 -8.760 3.510) 10.900 2.816 ( 5.455 8.760 3.510) 10.900 3.034 ( 0.020 -10.546 7.325) 12.841 3.034 ( 0.020 10.546 7.325) 12.841 3.769 ( -1.055 -6.507 8.180) 10.505 3.769 ( -1.055 6.507 8.180) 10.505 4.209 ( 2.080 -22.051 8.977) 23.899 4.209 ( 2.080 22.051 8.977) 23.899 5.090 ( 6.963 -9.665 -5.620) 13.171 5.090 ( 6.963 9.665 -5.620) 13.171 5.471 ( -0.600 -6.539 -5.956) 8.865 5.471 ( -0.600 6.539 -5.956) 8.865 5.790 ( 0.793 -15.354 -2.833) 15.633 5.790 ( 0.793 15.354 -2.833) 15.633 6.030 ( -7.051 -10.014 -3.434) 12.720 6.030 ( -7.051 10.014 -3.434) 12.720 7.110 ( -1.533 -4.325 -4.868) 6.690 7.110 ( -1.533 4.325 -4.868) 6.690 7.974 ( -3.299 -1.869 -2.658) 4.631 7.974 ( -3.299 1.869 -2.658) 4.631 8.544 ( 0.384 -6.443 -4.412) 7.818 8.544 ( 0.384 6.443 -4.412) 7.818 9.099 ( 2.636 -1.043 0.438) 2.868 9.099 ( 2.636 1.043 0.438) 2.868 9.330 ( -2.136 -4.076 3.987) 6.089 9.330 ( -2.136 4.076 3.987) 6.089 10.369 ( -4.161 -4.357 6.438) 8.818 10.369 ( -4.161 4.357 6.438) 8.818 10.781 ( 0.995 -7.689 5.886) 9.735 10.781 ( 0.995 7.689 5.886) 9.735 11.799 ( 0.169 -2.535 -0.829) 2.672 11.799 ( 0.169 2.535 -0.829) 2.672 15.380 ( -4.500 -10.078 -20.722) 23.479 15.380 ( -4.500 10.078 -20.722) 23.479 17.457 ( 3.878 -4.067 7.585) 9.440 17.457 ( 3.878 4.067 7.585) 9.440 18.482 ( -0.115 -1.230 -1.115) 1.665 18.482 ( -0.115 1.230 -1.115) 1.665 ======================= Grid point 231 (122/260) ======================= q-point: ( 0.10 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 5.773 -6.233 5.045) 9.881 2.054 ( 5.773 6.233 5.045) 9.881 2.327 ( 11.899 -15.124 3.600) 19.578 2.327 ( 11.899 15.124 3.600) 19.578 2.923 ( 4.593 -6.858 5.157) 9.732 2.923 ( 4.593 6.858 5.157) 9.732 3.087 ( -2.070 -11.246 5.464) 12.673 3.087 ( -2.070 11.246 5.464) 12.673 3.934 ( 7.080 -7.478 14.107) 17.466 3.934 ( 7.080 7.478 14.107) 17.466 4.323 ( 4.094 -23.370 1.311) 23.762 4.323 ( 4.094 23.370 1.311) 23.762 5.141 ( 1.381 -9.587 -1.399) 9.786 5.141 ( 1.381 9.587 -1.399) 9.786 5.406 ( -1.159 -7.835 -3.791) 8.781 5.406 ( -1.159 7.835 -3.791) 8.781 5.778 ( 1.330 -10.267 -1.936) 10.532 5.778 ( 1.330 10.267 -1.936) 10.532 5.902 ( -0.976 -13.685 -7.697) 15.731 5.902 ( -0.976 13.685 -7.697) 15.731 7.023 ( -2.817 -5.965 -5.389) 8.518 7.023 ( -2.817 5.965 -5.389) 8.518 7.845 ( -6.935 -1.034 -4.633) 8.404 7.845 ( -6.935 1.034 -4.633) 8.404 8.500 ( -0.775 -4.431 -3.592) 5.756 8.500 ( -0.775 4.431 -3.592) 5.756 9.096 ( -6.869 -3.614 3.742) 8.617 9.096 ( -6.869 3.614 3.742) 8.617 9.343 ( 2.162 -4.912 0.816) 5.428 9.343 ( 2.162 4.912 0.816) 5.428 10.334 ( -6.652 -9.371 8.185) 14.109 10.334 ( -6.652 9.371 8.185) 14.109 10.948 ( 11.319 -6.963 4.106) 13.909 10.948 ( 11.319 6.963 4.106) 13.909 11.818 ( 2.819 -4.206 -0.574) 5.096 11.818 ( 2.819 4.206 -0.574) 5.096 15.106 ( -6.018 -10.721 -18.560) 22.263 15.106 ( -6.018 10.721 -18.560) 22.263 17.452 ( -9.585 -1.212 5.669) 11.202 17.452 ( -9.585 1.212 5.669) 11.202 18.576 ( 10.551 -2.362 -1.224) 10.882 18.576 ( 10.551 2.362 -1.224) 10.882 ======================= Grid point 233 (123/260) ======================= q-point: ( 0.20 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 4.460 -6.505 2.319) 8.221 2.194 ( 4.460 6.505 2.319) 8.221 2.549 ( 10.906 -13.585 3.702) 17.810 2.549 ( 10.906 13.585 3.702) 17.810 3.037 ( -4.936 -11.142 2.182) 12.380 3.037 ( -4.936 11.142 2.182) 12.380 3.151 ( 11.554 -3.245 9.295) 15.179 3.151 ( 11.554 3.245 9.295) 15.179 4.194 ( 6.462 -7.246 9.421) 13.528 4.194 ( 6.462 7.246 9.421) 13.528 4.346 ( 2.016 -15.555 -4.965) 16.452 4.346 ( 2.016 15.555 -4.965) 16.452 5.066 ( -6.803 -7.113 -2.295) 10.107 5.066 ( -6.803 7.113 -2.295) 10.107 5.369 ( -1.197 -7.777 -1.911) 8.098 5.369 ( -1.197 7.777 -1.911) 8.098 5.811 ( 4.458 -3.740 -8.670) 10.442 5.811 ( 4.458 3.740 -8.670) 10.442 5.915 ( 8.412 -6.097 4.701) 11.403 5.915 ( 8.412 6.097 4.701) 11.403 6.918 ( -3.747 -7.685 -5.001) 9.905 6.918 ( -3.747 7.685 -5.001) 9.905 7.678 ( -6.749 -3.414 -4.626) 8.866 7.678 ( -6.749 3.414 -4.626) 8.866 8.458 ( -1.090 -2.477 -2.120) 3.437 8.458 ( -1.090 2.477 -2.120) 3.437 8.942 ( -13.113 -5.483 3.143) 14.556 8.942 ( -13.113 5.483 3.143) 14.556 9.408 ( 3.784 -4.238 0.226) 5.686 9.408 ( 3.784 4.238 0.226) 5.686 10.305 ( -5.574 -12.274 8.173) 15.764 10.305 ( -5.574 12.274 8.173) 15.764 11.203 ( 14.393 -7.802 1.341) 16.427 11.203 ( 14.393 7.802 1.341) 16.427 11.881 ( 4.126 -6.632 0.952) 7.868 11.881 ( 4.126 6.632 0.952) 7.868 14.848 ( -6.212 -10.285 -13.247) 17.884 14.848 ( -6.212 10.285 -13.247) 17.884 17.298 ( -11.928 -2.313 3.428) 12.624 17.298 ( -11.928 2.313 3.428) 12.624 18.764 ( 11.541 -3.769 -1.327) 12.213 18.764 ( 11.541 3.769 -1.327) 12.213 ======================= Grid point 235 (124/260) ======================= q-point: ( 0.30 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.166 -6.484 -1.055) 6.571 2.234 ( 0.166 6.484 -1.055) 6.571 2.762 ( 8.503 -9.386 1.507) 12.754 2.762 ( 8.503 9.386 1.507) 12.754 2.949 ( -7.505 -8.373 6.516) 12.996 2.949 ( -7.505 8.373 6.516) 12.996 3.459 ( 14.088 -1.965 2.966) 14.530 3.459 ( 14.088 1.965 2.966) 14.530 4.166 ( -5.326 -11.913 -8.988) 15.846 4.166 ( -5.326 11.913 -8.988) 15.846 4.408 ( 2.534 -0.919 2.428) 3.627 4.408 ( 2.534 0.919 2.428) 3.627 4.974 ( -1.683 -11.235 1.848) 11.509 4.974 ( -1.683 11.235 1.848) 11.509 5.307 ( -1.032 -8.787 -6.007) 10.694 5.307 ( -1.032 8.787 -6.007) 10.694 5.818 ( 6.257 -1.734 -7.432) 9.869 5.818 ( 6.257 1.734 -7.432) 9.869 6.185 ( 10.026 -7.860 12.571) 17.898 6.185 ( 10.026 7.860 12.571) 17.898 6.808 ( -3.721 -9.123 -3.958) 10.618 6.808 ( -3.721 9.123 -3.958) 10.618 7.544 ( -4.174 -5.352 -3.667) 7.714 7.544 ( -4.174 5.352 -3.667) 7.714 8.421 ( -1.503 -2.847 -1.377) 3.502 8.421 ( -1.503 2.847 -1.377) 3.502 8.751 ( -11.384 -4.578 3.703) 12.816 8.751 ( -11.384 4.578 3.703) 12.816 9.457 ( 1.830 -4.716 -0.415) 5.075 9.457 ( 1.830 4.716 -0.415) 5.075 10.286 ( -4.555 -13.189 6.478) 15.384 10.286 ( -4.555 13.189 6.478) 15.384 11.438 ( 12.397 -9.991 -2.035) 16.051 11.438 ( 12.397 9.991 -2.035) 16.051 11.970 ( 3.692 -9.207 3.210) 10.426 11.970 ( 3.692 9.207 3.210) 10.426 14.675 ( -2.956 -9.318 -5.466) 11.200 14.675 ( -2.956 9.318 -5.466) 11.200 17.122 ( -10.393 -4.500 0.332) 11.331 17.122 ( -10.393 4.500 0.332) 11.331 18.932 ( 9.014 -4.685 -0.981) 10.206 18.932 ( 9.014 4.685 -0.981) 10.206 ======================= Grid point 237 (125/260) ======================= q-point: ( 0.40 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -1.516 -4.701 -3.787) 6.224 2.199 ( -1.516 4.701 -3.787) 6.224 2.748 ( -8.755 -5.487 0.660) 10.353 2.748 ( -8.755 5.487 0.660) 10.353 2.976 ( 2.588 -5.991 1.382) 6.670 2.976 ( 2.588 5.991 1.382) 6.670 3.610 ( 1.098 -5.493 -1.384) 5.770 3.610 ( 1.098 5.493 -1.384) 5.770 3.952 ( -4.908 -3.262 -11.905) 13.283 3.952 ( -4.908 3.262 -11.905) 13.283 4.509 ( 7.894 -3.640 1.423) 8.808 4.509 ( 7.894 3.640 1.423) 8.808 4.960 ( -3.623 -2.385 -0.142) 4.340 4.960 ( -3.623 2.385 -0.142) 4.340 5.289 ( 4.437 -11.628 -1.312) 12.515 5.289 ( 4.437 11.628 -1.312) 12.515 5.895 ( 8.373 -5.731 -4.028) 10.917 5.895 ( 8.373 5.731 -4.028) 10.917 6.369 ( -3.956 -2.411 9.346) 10.431 6.369 ( -3.956 2.411 9.346) 10.431 6.775 ( 4.213 -5.915 0.441) 7.275 6.775 ( 4.213 5.915 0.441) 7.275 7.474 ( -0.668 -5.551 -2.187) 6.004 7.474 ( -0.668 5.551 -2.187) 6.004 8.376 ( -1.586 -4.834 -1.902) 5.431 8.376 ( -1.586 4.834 -1.902) 5.431 8.654 ( -5.152 -3.929 6.549) 9.213 8.654 ( -5.152 3.929 6.549) 9.213 9.463 ( -0.281 -5.915 -0.870) 5.985 9.463 ( -0.281 5.915 -0.870) 5.985 10.266 ( -3.641 -12.134 4.553) 13.462 10.266 ( -3.641 12.134 4.553) 13.462 11.571 ( 7.132 -10.910 -5.841) 14.283 11.571 ( 7.132 10.910 -5.841) 14.283 12.051 ( 0.730 -9.596 4.968) 10.830 12.051 ( 0.730 9.596 4.968) 10.830 14.674 ( 4.417 -10.075 3.660) 11.594 14.674 ( 4.417 10.075 3.660) 11.594 16.946 ( -8.308 -6.351 -3.778) 11.119 16.946 ( -8.308 6.351 -3.778) 11.119 19.052 ( 5.474 -5.147 -0.335) 7.521 19.052 ( 5.474 5.147 -0.335) 7.521 ======================= Grid point 239 (126/260) ======================= q-point: (-0.50 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -2.194 -5.257 -6.605) 8.723 2.116 ( -2.194 5.257 -6.605) 8.723 2.531 ( -14.656 -3.418 -3.389) 15.426 2.531 ( -14.656 3.418 -3.389) 15.426 3.006 ( 1.180 -3.593 -0.540) 3.820 3.006 ( 1.180 3.593 -0.540) 3.820 3.430 ( -13.541 -5.595 -6.453) 16.010 3.430 ( -13.541 5.595 -6.453) 16.010 3.925 ( 8.070 -2.614 -4.669) 9.683 3.925 ( 8.070 2.614 -4.669) 9.683 4.589 ( 1.561 -5.472 -7.541) 9.446 4.589 ( 1.561 5.472 -7.541) 9.446 4.906 ( -1.480 -4.254 2.025) 4.938 4.906 ( -1.480 4.254 2.025) 4.938 5.408 ( 6.983 -9.243 3.201) 12.018 5.408 ( 6.983 9.243 3.201) 12.018 6.004 ( 5.704 -8.153 -1.159) 10.017 6.004 ( 5.704 8.153 -1.159) 10.017 6.263 ( -10.827 -8.275 3.475) 14.064 6.263 ( -10.827 8.275 3.475) 14.064 6.915 ( 6.844 -0.080 3.390) 7.638 6.915 ( 6.844 0.080 3.390) 7.638 7.486 ( 3.266 -4.216 0.118) 5.334 7.486 ( 3.266 4.216 0.118) 5.334 8.355 ( 1.854 -5.072 -2.286) 5.864 8.355 ( 1.854 5.072 -2.286) 5.864 8.677 ( -1.139 -5.353 8.756) 10.326 8.677 ( -1.139 5.353 8.756) 10.326 9.438 ( -1.738 -6.916 -0.491) 7.148 9.438 ( -1.738 6.916 -0.491) 7.148 10.247 ( -2.702 -9.198 3.276) 10.131 10.247 ( -2.702 9.198 3.276) 10.131 11.579 ( 1.567 -10.776 -8.389) 13.746 11.579 ( 1.567 10.776 -8.389) 13.746 12.071 ( -4.140 -7.763 5.543) 10.399 12.071 ( -4.140 7.763 5.543) 10.399 14.899 ( 12.948 -12.665 11.731) 21.579 14.899 ( 12.948 12.665 11.731) 21.579 16.765 ( -6.008 -7.724 -8.628) 13.046 16.765 ( -6.008 7.724 -8.628) 13.046 19.110 ( 1.269 -5.262 0.131) 5.414 19.110 ( 1.269 5.262 0.131) 5.414 ======================= Grid point 241 (127/260) ======================= q-point: (-0.40 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -2.448 -7.465 -8.413) 11.511 2.010 ( -2.448 7.465 -8.413) 11.511 2.230 ( -14.618 -3.352 -2.592) 15.220 2.230 ( -14.618 3.352 -2.592) 15.220 2.942 ( -7.457 -4.518 -7.522) 11.515 2.942 ( -7.457 4.518 -7.522) 11.515 3.225 ( -3.902 -11.570 2.249) 12.415 3.225 ( -3.902 11.570 2.249) 12.415 3.991 ( 1.208 -6.783 -4.243) 8.092 3.991 ( 1.208 6.783 -4.243) 8.092 4.509 ( 1.994 -5.621 -8.750) 10.589 4.509 ( 1.994 5.621 -8.750) 10.589 4.880 ( -5.147 -5.446 1.109) 7.575 4.880 ( -5.147 5.446 1.109) 7.575 5.549 ( 6.315 -4.671 0.553) 7.874 5.549 ( 6.315 4.671 0.553) 7.874 5.991 ( -9.305 -15.012 6.167) 18.707 5.991 ( -9.305 15.012 6.167) 18.707 6.204 ( 3.264 -4.897 -1.364) 6.041 6.204 ( 3.264 4.897 -1.364) 6.041 7.035 ( 4.673 -2.081 1.516) 5.335 7.035 ( 4.673 2.081 1.516) 5.335 7.582 ( 6.392 -2.882 2.003) 7.292 7.582 ( 6.392 2.882 2.003) 7.292 8.399 ( 5.648 -3.556 -2.697) 7.199 8.399 ( 5.648 3.556 -2.697) 7.199 8.754 ( 0.311 -5.008 8.548) 9.912 8.754 ( 0.311 5.008 8.548) 9.912 9.402 ( -2.516 -7.479 0.910) 7.943 9.402 ( -2.516 7.479 0.910) 7.943 10.236 ( -1.833 -5.088 2.918) 6.145 10.236 ( -1.833 5.088 2.918) 6.145 11.476 ( -4.198 -11.182 -8.755) 14.810 11.476 ( -4.198 11.182 -8.755) 14.810 12.023 ( -6.874 -6.684 5.575) 11.091 12.023 ( -6.874 6.684 5.575) 11.091 15.304 ( 17.754 -14.353 16.184) 27.984 15.304 ( 17.754 14.353 16.184) 27.984 16.588 ( -2.319 -8.692 -13.319) 16.073 16.588 ( -2.319 8.692 -13.319) 16.073 19.093 ( -3.485 -4.997 0.098) 6.093 19.093 ( -3.485 4.997 0.098) 6.093 ======================= Grid point 243 (128/260) ======================= q-point: (-0.30 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -9.359 -1.145 -2.094) 9.658 1.847 ( -9.359 1.145 -2.094) 9.658 2.076 ( -1.455 -8.845 -1.099) 9.031 2.076 ( -1.455 8.845 -1.099) 9.031 2.714 ( -8.095 -6.955 -6.192) 12.339 2.714 ( -8.095 6.955 -6.192) 12.339 3.225 ( -2.902 -9.777 2.088) 10.410 3.225 ( -2.902 9.777 2.088) 10.410 3.893 ( -5.283 -8.763 -3.004) 10.665 3.893 ( -5.283 8.763 -3.004) 10.665 4.479 ( -4.799 -5.267 -2.170) 7.449 4.479 ( -4.799 5.267 -2.170) 7.449 4.799 ( 2.141 -3.998 -4.797) 6.602 4.799 ( 2.141 3.998 -4.797) 6.602 5.611 ( 2.723 -0.974 -3.858) 4.822 5.611 ( 2.723 0.974 -3.858) 4.822 5.898 ( -8.479 -25.179 7.990) 27.744 5.898 ( -8.479 25.179 7.990) 27.744 6.254 ( 2.703 -7.365 -1.340) 7.959 6.254 ( 2.703 7.365 -1.340) 7.959 7.114 ( 3.801 -2.848 -0.060) 4.750 7.114 ( 3.801 2.848 -0.060) 4.750 7.729 ( 7.952 -3.628 2.452) 9.078 7.729 ( 7.952 3.628 2.452) 9.078 8.483 ( 6.418 -2.616 -2.954) 7.534 8.483 ( 6.418 2.616 -2.954) 7.534 8.838 ( 2.107 -3.932 5.578) 7.143 8.838 ( 2.107 3.932 5.578) 7.143 9.370 ( -3.139 -7.674 2.610) 8.693 9.370 ( -3.139 7.674 2.610) 8.693 10.241 ( -0.986 -3.360 3.608) 5.028 10.241 ( -0.986 3.360 3.608) 5.028 11.283 ( -9.676 -11.104 -6.309) 16.023 11.283 ( -9.676 11.104 -6.309) 16.023 11.950 ( -6.691 -6.237 4.503) 10.195 11.950 ( -6.691 6.237 4.503) 10.195 15.726 ( 12.292 -12.359 11.438) 20.849 15.726 ( 12.292 12.359 11.438) 20.849 16.492 ( 8.091 -9.866 -11.906) 17.452 16.492 ( 8.091 9.866 -11.906) 17.452 18.990 ( -8.264 -4.235 -0.351) 9.292 18.990 ( -8.264 4.235 -0.351) 9.292 ======================= Grid point 245 (129/260) ======================= q-point: (-0.20 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -4.824 -2.903 6.850) 8.867 1.737 ( -4.824 2.903 6.850) 8.867 2.086 ( 1.178 -13.056 0.325) 13.113 2.086 ( 1.178 13.056 0.325) 13.113 2.605 ( -0.883 -9.039 0.199) 9.084 2.605 ( -0.883 9.039 0.199) 9.084 3.112 ( -8.086 -0.787 -2.768) 8.583 3.112 ( -8.086 0.787 -2.768) 8.583 3.835 ( -1.917 -10.714 2.769) 11.231 3.835 ( -1.917 10.714 2.769) 11.231 4.278 ( -14.876 -2.931 2.713) 15.402 4.278 ( -14.876 2.931 2.713) 15.402 4.888 ( 12.052 -3.908 -8.032) 15.001 4.888 ( 12.052 3.908 -8.032) 15.001 5.588 ( 0.173 -2.878 -5.516) 6.224 5.588 ( 0.173 2.878 -5.516) 6.224 5.839 ( -5.364 -25.978 4.958) 26.985 5.839 ( -5.364 25.978 4.958) 26.985 6.253 ( -1.788 -6.885 -1.010) 7.185 6.253 ( -1.788 6.885 -1.010) 7.185 7.161 ( 2.381 -2.955 -1.720) 4.166 7.161 ( 2.381 2.955 -1.720) 4.166 7.886 ( 7.302 -3.855 1.912) 8.475 7.886 ( 7.302 3.855 1.912) 8.475 8.545 ( 3.750 -3.623 -2.963) 5.997 8.545 ( 3.750 3.623 -2.963) 5.997 8.936 ( 5.602 -1.988 1.148) 6.054 8.936 ( 5.602 1.988 1.148) 6.054 9.340 ( -3.689 -7.374 3.945) 9.141 9.340 ( -3.689 7.374 3.945) 9.141 10.272 ( 0.109 -5.940 5.039) 7.791 10.272 ( 0.109 5.940 5.039) 7.791 11.046 ( -12.880 -10.114 -1.838) 16.479 11.046 ( -12.880 10.114 -1.838) 16.479 11.880 ( -5.122 -4.722 2.493) 7.399 11.880 ( -5.122 4.722 2.493) 7.399 15.816 ( -0.908 -8.742 -9.674) 13.070 15.816 ( -0.908 8.742 -9.674) 13.070 16.740 ( 22.012 -11.176 4.173) 25.037 16.740 ( 22.012 11.176 4.173) 25.037 18.809 ( -11.681 -2.974 -0.810) 12.081 18.809 ( -11.681 2.974 -0.810) 12.081 ======================= Grid point 247 (130/260) ======================= q-point: (-0.10 -0.50 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 2.278 -2.905 11.374) 11.958 1.806 ( 2.278 2.905 11.374) 11.958 2.079 ( -2.239 -12.779 -0.014) 12.973 2.079 ( -2.239 12.779 -0.014) 12.973 2.673 ( 5.930 -10.926 3.093) 12.810 2.673 ( 5.930 10.926 3.093) 12.810 3.000 ( -3.299 -6.263 3.171) 7.756 3.000 ( -3.299 6.263 3.171) 7.756 3.801 ( -5.127 -9.818 1.395) 11.163 3.801 ( -5.127 9.818 1.395) 11.163 4.140 ( -6.171 -12.758 10.074) 17.388 4.140 ( -6.171 12.758 10.074) 17.388 5.009 ( 10.330 -6.728 -8.447) 14.944 5.009 ( 10.330 6.728 -8.447) 14.944 5.532 ( -0.398 -3.750 -5.717) 6.848 5.532 ( -0.398 3.750 -5.717) 6.848 5.805 ( -1.499 -21.626 0.380) 21.681 5.805 ( -1.499 21.626 0.380) 21.681 6.172 ( -6.127 -7.295 -1.426) 9.633 6.172 ( -6.127 7.295 -1.426) 9.633 7.160 ( 0.323 -3.217 -3.497) 4.763 7.160 ( 0.323 3.217 -3.497) 4.763 7.990 ( 2.867 -1.704 0.163) 3.339 7.990 ( 2.867 1.704 0.163) 3.339 8.561 ( 1.845 -5.586 -3.623) 6.909 8.561 ( 1.845 5.586 -3.623) 6.909 9.035 ( 5.693 -0.592 -1.919) 6.037 9.035 ( 5.693 0.592 -1.919) 6.037 9.325 ( -2.821 -5.954 5.368) 8.499 9.325 ( -2.821 5.954 5.368) 8.499 10.334 ( 0.715 -5.879 5.946) 8.392 10.334 ( 0.715 5.879 5.946) 8.392 10.836 ( -10.999 -8.860 3.144) 14.469 10.836 ( -10.999 8.860 3.144) 14.469 11.824 ( -2.753 -2.766 0.395) 3.922 11.824 ( -2.753 2.766 0.395) 3.922 15.633 ( -3.295 -9.091 -18.855) 21.190 15.633 ( -3.295 9.091 -18.855) 21.190 17.174 ( 18.598 -8.178 8.482) 22.017 17.174 ( 18.598 8.178 8.482) 22.017 18.599 ( -10.607 -1.646 -1.007) 10.781 18.599 ( -10.607 1.646 -1.007) 10.781 ======================= Grid point 279 (131/260) ======================= q-point: ( 0.00 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.360 0.000 20.488) 20.491 1.404 ( 5.554 0.000 18.858) 19.659 1.758 ( 2.703 0.000 7.537) 8.007 2.348 ( 12.867 0.000 -1.212) 12.924 2.801 ( 4.193 0.000 33.423) 33.685 3.021 ( -0.644 0.000 9.468) 9.490 3.025 ( -5.206 0.000 3.687) 6.380 3.464 ( -1.894 0.000 -8.114) 8.332 3.746 ( 9.189 0.000 -6.090) 11.024 3.747 ( 17.774 0.000 12.525) 21.744 4.172 ( 4.498 0.000 -8.430) 9.555 4.512 ( -10.768 0.000 -5.493) 12.088 4.593 ( -8.540 0.000 6.446) 10.700 4.883 ( -8.997 0.000 -11.775) 14.819 4.955 ( 12.498 0.000 -6.173) 13.940 5.539 ( 8.130 0.000 -3.130) 8.712 6.244 ( -0.007 0.000 1.218) 1.218 6.416 ( 12.457 0.000 9.870) 15.893 6.526 ( 3.540 0.000 14.195) 14.629 6.778 ( -5.803 0.000 -11.538) 12.915 6.888 ( -6.420 0.000 2.629) 6.938 7.362 ( -1.678 0.000 -8.942) 9.098 7.503 ( -5.630 0.000 -6.458) 8.568 7.605 ( -17.229 0.000 -3.812) 17.646 8.438 ( 7.419 0.000 1.433) 7.556 8.519 ( -4.774 0.000 -2.303) 5.300 8.854 ( -13.060 0.000 -1.210) 13.116 9.038 ( 4.699 0.000 -2.324) 5.243 9.250 ( 8.838 0.000 -0.125) 8.839 9.263 ( 2.385 0.000 -1.125) 2.637 10.023 ( 17.434 0.000 1.760) 17.523 10.356 ( -9.969 0.000 -3.276) 10.494 11.045 ( 11.682 0.000 13.113) 17.562 11.755 ( -4.105 0.000 -4.305) 5.949 11.953 ( 9.747 0.000 0.686) 9.771 12.188 ( -40.562 0.000 -3.191) 40.687 14.338 ( -3.080 0.000 15.338) 15.644 15.791 ( 6.124 0.000 -18.871) 19.840 17.172 ( 21.145 0.000 4.369) 21.592 17.382 ( -13.220 0.000 -2.370) 13.431 18.372 ( 2.755 0.000 2.817) 3.940 18.495 ( 0.251 0.000 -0.285) 0.380 ======================= Grid point 280 (132/260) ======================= q-point: ( 0.10 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 16.556 0.000 13.725) 21.505 1.717 ( 10.382 0.000 17.303) 20.179 1.904 ( 8.144 0.000 -4.131) 9.132 2.566 ( 12.232 0.000 -2.275) 12.442 2.960 ( -7.856 0.000 0.805) 7.897 3.087 ( 6.286 0.000 6.216) 8.841 3.196 ( 12.191 0.000 20.719) 24.039 3.381 ( 3.122 0.000 -8.943) 9.472 3.941 ( 8.745 0.000 8.008) 11.857 4.071 ( 5.887 0.000 4.391) 7.344 4.227 ( 7.278 0.000 -7.055) 10.137 4.272 ( -5.000 0.000 -8.556) 9.909 4.485 ( -8.326 0.000 10.123) 13.107 4.559 ( -13.857 0.000 -14.361) 19.956 5.136 ( 12.473 0.000 -5.454) 13.613 5.681 ( 10.152 0.000 -0.294) 10.156 6.174 ( -6.436 0.000 -1.578) 6.627 6.533 ( -3.952 0.000 -6.825) 7.886 6.691 ( 0.227 0.000 11.526) 11.529 6.721 ( 2.851 0.000 7.289) 7.827 6.838 ( -4.740 0.000 2.076) 5.175 7.261 ( -16.111 0.000 -0.303) 16.114 7.269 ( 0.421 0.000 -5.265) 5.282 7.349 ( -3.880 0.000 -8.142) 9.020 8.394 ( -7.758 0.000 -2.762) 8.235 8.577 ( 6.896 0.000 0.868) 6.951 8.645 ( -9.672 0.000 1.208) 9.747 9.108 ( 4.639 0.000 -1.407) 4.847 9.261 ( -0.474 0.000 -3.573) 3.605 9.376 ( 6.262 0.000 -0.154) 6.263 10.131 ( -10.285 0.000 -6.272) 12.046 10.276 ( 10.649 0.000 1.338) 10.733 11.378 ( 10.376 0.000 12.141) 15.971 11.625 ( -22.751 0.000 3.302) 22.990 11.641 ( -1.469 0.000 -7.738) 7.876 12.202 ( 13.498 0.000 7.102) 15.252 14.440 ( -1.776 0.000 16.042) 16.140 15.714 ( 5.991 0.000 -19.735) 20.625 17.028 ( -22.780 0.000 -4.067) 23.140 17.361 ( -1.351 0.000 4.801) 4.988 18.496 ( 7.734 0.000 2.073) 8.007 18.641 ( 15.984 0.000 -3.828) 16.436 ======================= Grid point 281 (133/260) ======================= q-point: ( 0.20 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 3.471 0.000 -13.106) 13.558 2.048 ( 10.301 0.000 13.767) 17.194 2.106 ( 17.307 0.000 6.928) 18.642 2.665 ( 1.537 0.000 -1.967) 2.496 2.874 ( -2.581 0.000 0.999) 2.768 3.273 ( 7.078 0.000 -0.600) 7.103 3.451 ( 12.219 0.000 -6.003) 13.614 3.551 ( 11.173 0.000 6.046) 12.704 3.915 ( -7.731 0.000 -5.408) 9.435 4.035 ( -5.657 0.000 8.418) 10.143 4.173 ( -12.917 0.000 -15.542) 20.209 4.277 ( 4.244 0.000 1.138) 4.394 4.349 ( 10.260 0.000 -6.100) 11.936 4.602 ( 9.005 0.000 9.223) 12.890 5.241 ( 5.606 0.000 -6.776) 8.794 5.868 ( 10.489 0.000 0.823) 10.521 6.079 ( -3.871 0.000 4.770) 6.143 6.370 ( -8.155 0.000 -4.202) 9.174 6.529 ( -22.501 0.000 -6.356) 23.381 6.733 ( -3.472 0.000 -4.113) 5.382 6.774 ( -2.547 0.000 4.209) 4.920 7.227 ( 0.683 0.000 14.969) 14.985 7.237 ( 1.855 0.000 -9.790) 9.964 7.344 ( 4.149 0.000 10.494) 11.285 8.207 ( -10.755 0.000 -0.551) 10.769 8.553 ( -3.087 0.000 0.986) 3.241 8.676 ( 3.255 0.000 0.712) 3.332 9.127 ( -1.424 0.000 -2.349) 2.747 9.189 ( -2.689 0.000 -5.186) 5.842 9.481 ( 6.276 0.000 0.083) 6.277 9.918 ( -5.786 0.000 -7.893) 9.786 10.425 ( 3.908 0.000 4.251) 5.775 11.278 ( -15.197 0.000 5.697) 16.230 11.566 ( 2.454 0.000 -10.584) 10.865 11.766 ( 15.360 0.000 7.905) 17.275 12.527 ( 13.112 0.000 12.317) 17.990 14.568 ( -0.761 0.000 15.884) 15.902 15.635 ( 6.251 0.000 -20.371) 21.308 16.567 ( -24.739 0.000 -4.799) 25.200 17.313 ( -8.266 0.000 5.797) 10.096 18.650 ( 7.734 0.000 1.761) 7.932 18.888 ( 16.679 0.000 -5.904) 17.693 ======================= Grid point 282 (134/260) ======================= q-point: ( 0.30 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 4.905 0.000 -13.805) 14.650 2.270 ( 2.023 0.000 7.831) 8.088 2.389 ( 11.768 0.000 -1.520) 11.866 2.631 ( -2.768 0.000 -3.239) 4.261 2.861 ( -0.337 0.000 -0.246) 0.417 3.176 ( -4.468 0.000 -13.330) 14.059 3.532 ( -3.575 0.000 -2.951) 4.635 3.575 ( -11.908 0.000 5.045) 12.933 3.873 ( -0.181 0.000 -20.647) 20.648 4.001 ( 12.831 0.000 9.908) 16.211 4.022 ( 0.015 0.000 -4.877) 4.877 4.458 ( 13.354 0.000 7.198) 15.170 4.471 ( 13.391 0.000 -8.622) 15.927 4.842 ( 9.401 0.000 4.875) 10.589 5.228 ( 1.221 0.000 -5.298) 5.437 6.019 ( 2.901 0.000 1.305) 3.181 6.032 ( -26.731 0.000 -5.365) 27.264 6.167 ( 2.356 0.000 15.386) 15.565 6.180 ( -5.958 0.000 -7.022) 9.209 6.597 ( -2.253 0.000 -10.689) 10.923 6.722 ( -5.865 0.000 -1.057) 5.959 7.231 ( 4.966 0.000 -5.091) 7.111 7.399 ( 0.239 0.000 16.997) 16.999 7.551 ( 4.664 0.000 15.673) 16.352 8.068 ( -5.744 0.000 3.828) 6.903 8.533 ( -0.195 0.000 0.165) 0.255 8.682 ( -4.191 0.000 1.314) 4.392 9.033 ( -4.315 0.000 -4.062) 5.926 9.090 ( -2.618 0.000 -5.862) 6.420 9.558 ( 2.138 0.000 -3.279) 3.914 9.832 ( 4.211 0.000 -4.991) 6.530 10.498 ( -2.107 0.000 8.352) 8.614 11.110 ( -8.230 0.000 0.172) 8.232 11.526 ( 5.092 0.000 -12.295) 13.308 12.106 ( 14.760 0.000 9.403) 17.501 12.854 ( 9.190 0.000 15.502) 18.022 14.675 ( -3.905 0.000 12.648) 13.237 15.551 ( 6.144 0.000 -20.997) 21.877 16.149 ( -17.484 0.000 -2.280) 17.632 17.209 ( -9.174 0.000 4.677) 10.298 18.784 ( 5.561 0.000 1.969) 5.899 19.091 ( 13.248 0.000 -6.053) 14.565 ======================= Grid point 283 (135/260) ======================= q-point: (-0.60 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 9.628 0.000 -9.826) 13.757 2.253 ( -8.386 0.000 2.979) 8.899 2.412 ( -9.069 0.000 -19.137) 21.177 2.464 ( 2.625 0.000 -9.437) 9.795 2.821 ( -3.768 0.000 -3.274) 4.991 3.155 ( 5.620 0.000 -0.125) 5.621 3.317 ( -12.283 0.000 -0.259) 12.286 3.383 ( -11.053 0.000 2.347) 11.300 3.742 ( 5.543 0.000 -22.366) 23.042 3.922 ( -5.607 0.000 -3.285) 6.498 4.367 ( 15.454 0.000 12.019) 19.578 4.673 ( 16.743 0.000 -5.459) 17.611 4.792 ( 16.836 0.000 1.789) 16.931 4.995 ( 5.178 0.000 1.358) 5.353 5.202 ( -4.640 0.000 0.181) 4.643 5.567 ( -18.610 0.000 -1.015) 18.638 5.851 ( -17.225 0.000 0.342) 17.228 6.119 ( 0.437 0.000 -10.516) 10.525 6.406 ( 4.859 0.000 19.980) 20.562 6.544 ( -9.769 0.000 -7.526) 12.332 6.545 ( 12.113 0.000 -14.442) 18.849 7.285 ( 4.200 0.000 -1.775) 4.560 7.529 ( -2.904 0.000 17.370) 17.611 7.771 ( 3.543 0.000 15.865) 16.256 8.100 ( 2.248 0.000 8.353) 8.650 8.542 ( 1.392 0.000 -0.695) 1.556 8.561 ( -10.491 0.000 2.166) 10.712 8.944 ( -1.139 0.000 -5.305) 5.426 8.998 ( -1.831 0.000 -5.617) 5.908 9.491 ( -2.104 0.000 -8.542) 8.797 9.950 ( 9.729 0.000 0.734) 9.757 10.506 ( -7.652 0.000 11.233) 13.592 10.977 ( -4.886 0.000 -4.987) 6.982 11.511 ( 6.451 0.000 -12.736) 14.276 12.453 ( 14.153 0.000 12.337) 18.775 13.098 ( 1.442 0.000 15.753) 15.818 14.601 ( -14.114 0.000 4.293) 14.753 15.457 ( 5.658 0.000 -21.556) 22.287 16.014 ( 0.758 0.000 6.227) 6.273 17.085 ( -8.850 0.000 2.155) 9.109 18.871 ( 2.137 0.000 2.290) 3.132 19.232 ( 9.575 0.000 -5.994) 11.296 ======================= Grid point 284 (136/260) ======================= q-point: (-0.50 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 7.060 0.000 -0.710) 7.095 2.060 ( -4.244 0.000 -19.613) 20.067 2.125 ( -13.109 0.000 2.967) 13.440 2.320 ( -4.307 0.000 -14.015) 14.662 2.660 ( -6.081 0.000 -9.444) 11.232 2.961 ( -11.894 0.000 -11.603) 16.616 3.319 ( 2.933 0.000 -0.871) 3.059 3.403 ( 7.757 0.000 0.896) 7.809 3.695 ( 7.578 0.000 -6.579) 10.035 3.799 ( -8.075 0.000 1.838) 8.281 4.717 ( -30.497 0.000 1.021) 30.514 4.718 ( 13.745 0.000 8.888) 16.368 4.904 ( 12.158 0.000 -1.152) 12.213 5.036 ( 3.319 0.000 -4.500) 5.592 5.214 ( 9.512 0.000 5.253) 10.866 5.534 ( -17.155 0.000 -2.287) 17.306 5.548 ( 8.279 0.000 4.512) 9.429 5.946 ( -7.559 0.000 -10.167) 12.669 6.255 ( -10.365 0.000 -14.044) 17.455 6.684 ( 4.579 0.000 19.983) 20.501 6.720 ( 23.601 0.000 -18.797) 30.172 7.333 ( 2.005 0.000 0.904) 2.199 7.646 ( -1.903 0.000 17.684) 17.786 7.952 ( 1.770 0.000 12.869) 12.990 8.259 ( 5.294 0.000 10.089) 11.394 8.403 ( -10.032 0.000 3.022) 10.477 8.569 ( 3.073 0.000 -1.301) 3.337 8.879 ( -0.339 0.000 -6.469) 6.478 8.923 ( -1.629 0.000 -4.339) 4.635 9.356 ( -3.192 0.000 -10.004) 10.501 10.143 ( 9.628 0.000 3.978) 10.417 10.429 ( -12.875 0.000 9.811) 16.187 10.852 ( -3.456 0.000 -6.181) 7.081 11.511 ( 6.953 0.000 -12.380) 14.198 12.829 ( 14.324 0.000 16.536) 21.877 13.161 ( -9.815 0.000 11.728) 15.293 14.350 ( -14.825 0.000 1.680) 14.920 15.347 ( 4.685 0.000 -21.951) 22.445 16.236 ( 12.947 0.000 11.555) 17.353 16.941 ( -8.362 0.000 -1.388) 8.477 18.896 ( -1.945 0.000 2.406) 3.094 19.309 ( 5.949 0.000 -6.539) 8.840 ======================= Grid point 285 (137/260) ======================= q-point: (-0.40 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -13.665 0.000 -7.065) 15.383 1.861 ( -20.194 0.000 5.312) 20.882 2.054 ( 2.968 0.000 2.522) 3.894 2.309 ( 16.925 0.000 -15.886) 23.213 2.517 ( -1.547 0.000 -3.297) 3.642 2.650 ( -8.883 0.000 -15.110) 17.528 3.406 ( 5.612 0.000 -3.153) 6.437 3.475 ( 6.815 0.000 -7.683) 10.270 3.672 ( -6.896 0.000 0.694) 6.930 3.849 ( 5.260 0.000 6.195) 8.127 4.125 ( -37.762 0.000 5.559) 38.169 4.972 ( -6.029 0.000 4.833) 7.727 5.012 ( 10.949 0.000 3.780) 11.583 5.018 ( -0.180 0.000 -5.531) 5.534 5.324 ( -0.230 0.000 -3.477) 3.485 5.396 ( 3.101 0.000 5.760) 6.541 5.714 ( -7.729 0.000 -10.028) 12.661 5.764 ( 10.249 0.000 1.998) 10.442 5.982 ( -3.758 0.000 -12.680) 13.226 6.919 ( 3.540 0.000 14.953) 15.366 6.955 ( 24.227 0.000 -21.666) 32.502 7.380 ( 1.615 0.000 2.900) 3.320 7.787 ( -0.535 0.000 16.676) 16.685 8.061 ( -0.358 0.000 7.417) 7.426 8.271 ( -9.213 0.000 4.092) 10.081 8.449 ( 6.103 0.000 9.479) 11.274 8.635 ( 5.618 0.000 -0.016) 5.618 8.820 ( 1.206 0.000 -7.066) 7.168 8.863 ( -1.795 0.000 -1.865) 2.589 9.210 ( -2.920 0.000 -9.436) 9.878 10.239 ( -16.158 0.000 3.482) 16.529 10.340 ( 7.348 0.000 6.209) 9.620 10.750 ( -4.002 0.000 -1.925) 4.440 11.522 ( 7.251 0.000 -11.753) 13.810 12.972 ( -19.578 0.000 4.371) 20.060 13.256 ( 15.620 0.000 19.913) 25.309 14.192 ( -7.943 0.000 6.793) 10.451 15.214 ( 3.146 0.000 -21.206) 21.438 16.606 ( 16.427 0.000 11.386) 19.987 16.770 ( -7.833 0.000 -5.569) 9.611 18.847 ( -6.130 0.000 2.278) 6.539 19.310 ( 1.795 0.000 -8.185) 8.380 ======================= Grid point 286 (138/260) ======================= q-point: (-0.30 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -17.678 0.000 2.100) 17.802 1.604 ( -16.085 0.000 11.310) 19.663 2.204 ( 5.603 0.000 -0.053) 5.603 2.353 ( 3.379 0.000 -8.735) 9.366 2.464 ( 3.774 0.000 -2.521) 4.539 2.594 ( 1.351 0.000 7.954) 8.068 3.204 ( -23.488 0.000 -8.827) 25.092 3.526 ( 7.140 0.000 -7.890) 10.641 3.545 ( -14.325 0.000 2.695) 14.577 3.841 ( 8.175 0.000 3.948) 9.079 3.849 ( -11.333 0.000 2.124) 11.530 4.857 ( -5.220 0.000 3.351) 6.203 4.919 ( -5.199 0.000 -6.528) 8.345 5.247 ( 8.564 0.000 5.453) 10.153 5.337 ( -2.388 0.000 -0.627) 2.468 5.346 ( -7.933 0.000 -5.813) 9.835 5.564 ( 5.973 0.000 -10.935) 12.460 5.878 ( 6.688 0.000 0.155) 6.689 6.011 ( 7.100 0.000 2.151) 7.419 7.067 ( 0.383 0.000 8.965) 8.974 7.126 ( 17.198 0.000 -19.874) 26.282 7.435 ( 2.904 0.000 -0.272) 2.917 7.916 ( -1.390 0.000 13.577) 13.648 8.022 ( -8.354 0.000 -0.938) 8.406 8.207 ( -3.228 0.000 7.071) 7.773 8.642 ( 7.557 0.000 6.819) 10.179 8.731 ( 2.581 0.000 -1.326) 2.901 8.814 ( 5.432 0.000 -5.415) 7.670 8.883 ( 5.875 0.000 6.942) 9.094 9.092 ( -1.418 0.000 -7.673) 7.803 9.950 ( -17.572 0.000 -2.142) 17.702 10.495 ( 3.218 0.000 6.830) 7.550 10.681 ( -4.602 0.000 3.495) 5.779 11.548 ( 8.005 0.000 -10.771) 13.420 12.628 ( -21.023 0.000 -0.116) 21.023 13.687 ( 13.139 0.000 12.393) 18.062 14.171 ( -4.883 0.000 10.961) 11.999 15.103 ( 5.278 0.000 -12.198) 13.291 16.574 ( -6.612 0.000 -9.115) 11.260 16.983 ( 15.984 0.000 8.759) 18.227 18.729 ( -9.855 0.000 2.072) 10.070 19.206 ( -4.184 0.000 -10.591) 11.388 ======================= Grid point 287 (139/260) ======================= q-point: (-0.20 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -13.702 0.000 9.189) 16.498 1.503 ( -14.686 0.000 18.302) 23.466 2.168 ( 0.253 0.000 -5.409) 5.414 2.315 ( -4.804 0.000 -0.757) 4.863 2.447 ( -33.743 0.000 14.975) 36.916 2.773 ( -11.545 0.000 6.832) 13.415 2.785 ( 18.322 0.000 15.791) 24.188 3.495 ( 9.191 0.000 -5.012) 10.469 3.511 ( -11.660 0.000 -3.208) 12.093 3.605 ( -3.910 0.000 -5.262) 6.556 4.120 ( 17.535 0.000 0.873) 17.556 4.708 ( -10.416 0.000 -9.275) 13.947 4.827 ( -2.390 0.000 -0.932) 2.565 5.126 ( -8.055 0.000 -8.379) 11.623 5.212 ( -6.025 0.000 -3.368) 6.902 5.388 ( 4.427 0.000 0.553) 4.462 5.742 ( 17.145 0.000 -0.074) 17.146 6.023 ( 6.777 0.000 3.662) 7.703 6.157 ( 4.738 0.000 8.255) 9.518 7.090 ( -4.656 0.000 4.391) 6.399 7.154 ( 5.023 0.000 -16.782) 17.518 7.466 ( 4.401 0.000 -6.845) 8.137 7.834 ( -10.669 0.000 -1.170) 10.733 7.963 ( -5.526 0.000 8.397) 10.052 8.241 ( 0.943 0.000 3.723) 3.841 8.693 ( -2.493 0.000 -2.089) 3.252 8.847 ( 9.197 0.000 4.142) 10.087 8.912 ( 9.616 0.000 -2.303) 9.888 9.022 ( 0.547 0.000 -5.912) 5.937 9.188 ( 17.121 0.000 11.137) 20.424 9.615 ( -17.137 0.000 -3.901) 17.576 10.563 ( -1.946 0.000 4.962) 5.330 10.672 ( -2.313 0.000 8.549) 8.856 11.607 ( 9.316 0.000 -8.453) 12.580 12.282 ( -17.529 0.000 -1.829) 17.624 13.691 ( -14.713 0.000 -16.200) 21.885 14.205 ( -4.260 0.000 13.031) 13.710 15.355 ( 26.170 0.000 8.659) 27.565 16.413 ( -0.783 0.000 -7.158) 7.201 17.299 ( 12.659 0.000 5.130) 13.659 18.556 ( -11.895 0.000 2.069) 12.074 18.966 ( -12.061 0.000 -10.380) 15.913 ======================= Grid point 288 (140/260) ======================= q-point: (-0.10 0.00 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -3.650 0.000 16.188) 16.594 1.361 ( -19.432 0.000 20.162) 28.002 1.869 ( -25.806 0.000 5.480) 26.382 2.190 ( 6.485 0.000 -1.928) 6.765 2.463 ( -3.205 0.000 34.560) 34.708 2.847 ( 2.755 0.000 15.604) 15.845 3.190 ( -14.113 0.000 4.652) 14.860 3.286 ( 16.421 0.000 14.821) 22.120 3.557 ( 1.377 0.000 -9.397) 9.497 3.649 ( 13.769 0.000 -10.102) 17.077 4.283 ( -2.237 0.000 -9.298) 9.563 4.545 ( 5.617 0.000 -0.515) 5.641 4.716 ( -7.396 0.000 -4.249) 8.530 4.945 ( -4.496 0.000 -5.680) 7.244 5.082 ( -4.906 0.000 -6.511) 8.153 5.454 ( 5.768 0.000 -3.692) 6.849 6.077 ( 16.385 0.000 7.749) 18.125 6.163 ( 5.242 0.000 3.882) 6.523 6.333 ( 4.058 0.000 12.944) 13.565 7.001 ( -4.007 0.000 -15.788) 16.288 7.003 ( -8.054 0.000 1.950) 8.287 7.450 ( 2.009 0.000 -9.498) 9.708 7.658 ( -7.971 0.000 -2.348) 8.310 7.866 ( -11.455 0.000 1.794) 11.595 8.314 ( 4.735 0.000 1.988) 5.136 8.616 ( -4.089 0.000 -2.088) 4.591 8.995 ( 2.246 0.000 0.175) 2.253 9.003 ( 2.518 0.000 -3.846) 4.597 9.080 ( 10.844 0.000 -0.763) 10.870 9.302 ( -9.688 0.000 -2.338) 9.966 9.644 ( 20.790 0.000 7.232) 22.012 10.515 ( -6.741 0.000 0.909) 6.802 10.782 ( 4.217 0.000 12.626) 13.311 11.716 ( 9.809 0.000 -4.243) 10.688 12.006 ( -11.310 0.000 -2.928) 11.682 13.010 ( -40.026 0.000 -17.235) 43.578 14.261 ( -3.884 0.000 14.325) 14.842 15.791 ( 15.362 0.000 -11.809) 19.377 16.618 ( 27.101 0.000 8.783) 28.488 17.477 ( 3.131 0.000 0.984) 3.282 18.392 ( -8.072 0.000 2.623) 8.487 18.652 ( -14.070 0.000 -4.239) 14.695 ======================= Grid point 289 (141/260) ======================= q-point: ( 0.00 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 3.541 -1.270 18.279) 18.662 1.438 ( 0.381 5.250 18.398) 19.136 1.821 ( 1.244 6.025 4.415) 7.573 2.408 ( 11.372 5.257 -2.953) 12.871 2.946 ( 2.258 1.929 19.822) 20.044 2.994 ( 2.345 2.099 12.336) 12.731 3.016 ( 0.633 1.186 6.665) 6.799 3.341 ( -0.774 -6.766 -3.617) 7.711 3.626 ( 9.736 -5.149 6.370) 12.723 3.826 ( 4.526 2.325 5.447) 7.454 4.340 ( 2.215 10.704 -6.814) 12.881 4.519 ( 1.477 3.065 -1.088) 3.572 4.645 ( -7.609 3.834 1.754) 8.699 4.871 ( -6.132 -0.138 -7.949) 10.040 5.019 ( 7.486 4.650 -10.951) 14.057 5.528 ( 8.333 -1.215 -1.791) 8.609 6.036 ( 0.358 -14.777 4.488) 15.447 6.202 ( 5.750 -16.239 8.320) 19.131 6.600 ( 7.437 1.848 5.169) 9.244 6.660 ( -9.516 -7.935 -6.963) 14.213 7.005 ( -3.627 6.551 -0.435) 7.501 7.249 ( -6.052 -10.197 -4.410) 12.651 7.547 ( -3.606 4.512 -9.039) 10.726 7.682 ( -14.418 5.607 -5.956) 16.577 8.346 ( 3.930 -3.520 3.000) 6.070 8.594 ( -1.710 2.753 -2.019) 3.818 8.928 ( -9.975 5.748 -0.968) 11.553 9.064 ( 4.692 1.940 -2.338) 5.590 9.235 ( 5.663 -0.508 0.716) 5.731 9.287 ( 2.800 1.969 -1.009) 3.568 10.101 ( 17.320 7.033 1.256) 18.735 10.360 ( -10.828 0.415 -1.965) 11.013 11.018 ( 11.156 -2.528 12.993) 17.311 11.675 ( -7.224 -11.026 1.405) 13.256 11.816 ( -5.720 -6.406 0.948) 8.640 12.133 ( -15.730 -4.488 -0.704) 16.373 14.456 ( -4.430 9.142 5.155) 11.392 15.689 ( 3.403 -8.889 -19.486) 21.687 17.239 ( 18.334 5.607 5.026) 19.820 17.439 ( -10.990 4.648 -1.453) 12.021 18.382 ( 2.292 0.870 2.170) 3.273 18.493 ( 0.606 -0.163 -0.476) 0.787 ======================= Grid point 290 (142/260) ======================= q-point: ( 0.10 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 9.977 -4.019 15.389) 18.776 1.746 ( 15.629 3.578 13.157) 20.741 1.960 ( 11.398 4.053 -0.893) 12.130 2.569 ( 10.274 2.086 -4.367) 11.357 2.941 ( -7.714 -1.597 1.115) 7.956 3.075 ( 7.118 -1.315 1.788) 7.456 3.270 ( 2.029 -1.288 0.273) 2.419 3.378 ( 13.703 5.677 11.751) 18.924 3.803 ( 2.442 -8.572 6.585) 11.082 4.037 ( 6.224 -1.495 7.904) 10.171 4.241 ( -7.158 4.318 -1.576) 8.507 4.521 ( -6.092 4.168 -0.106) 7.382 4.558 ( 2.359 15.628 -8.279) 17.842 4.635 ( -5.253 7.644 -5.463) 10.764 5.131 ( 11.426 -0.674 -6.866) 13.347 5.677 ( 9.770 -0.471 -0.056) 9.781 6.026 ( -3.275 -11.998 1.454) 12.521 6.369 ( 3.049 -19.593 9.203) 21.860 6.434 ( -6.705 -8.555 -8.055) 13.529 6.735 ( 1.347 -4.446 1.927) 5.030 6.915 ( -10.116 1.063 -1.156) 10.237 7.166 ( 0.961 -5.070 3.109) 6.025 7.344 ( -13.023 6.216 -4.137) 15.011 7.456 ( -1.414 7.451 -6.920) 10.267 8.377 ( -4.119 -0.437 1.236) 4.323 8.554 ( -1.237 -0.046 -1.181) 1.711 8.763 ( -6.449 7.041 0.478) 9.560 9.131 ( 3.418 2.238 -0.851) 4.173 9.260 ( 0.627 -0.587 -3.378) 3.486 9.375 ( 5.694 0.480 0.242) 5.720 10.132 ( -10.961 0.218 -4.935) 12.022 10.356 ( 10.856 7.140 1.235) 13.052 11.356 ( 11.624 -2.065 11.512) 16.490 11.436 ( -16.603 -12.297 5.248) 21.317 11.693 ( -3.641 0.715 -4.418) 5.769 12.184 ( 11.440 -2.309 4.544) 12.524 14.471 ( -2.722 2.768 10.590) 11.279 15.565 ( 3.185 -12.295 -19.378) 23.169 17.132 ( -20.128 8.296 -3.480) 22.047 17.401 ( -2.371 3.354 5.051) 6.510 18.498 ( 7.759 0.195 1.720) 7.950 18.637 ( 15.522 -0.416 -3.535) 15.925 ======================= Grid point 291 (143/260) ======================= q-point: ( 0.20 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 9.338 -1.617 1.143) 9.546 2.133 ( 16.864 2.456 6.166) 18.123 2.176 ( 12.139 9.891 1.200) 15.704 2.643 ( 1.115 -1.242 0.560) 1.761 2.849 ( -2.408 -2.114 -0.355) 3.223 3.179 ( 0.745 -3.430 0.871) 3.617 3.391 ( 15.894 -3.748 -7.927) 18.153 3.670 ( 5.146 2.818 3.954) 7.075 3.755 ( -8.132 -7.585 2.133) 11.323 4.109 ( 1.082 2.992 -2.240) 3.891 4.188 ( -0.718 3.009 -6.000) 6.750 4.272 ( -5.904 0.651 0.036) 5.940 4.509 ( 0.191 11.691 -4.521) 12.536 4.772 ( 10.774 13.796 4.287) 18.022 5.216 ( 5.052 -2.545 -6.902) 8.924 5.834 ( 7.335 -3.410 0.366) 8.097 6.037 ( 1.639 -3.115 8.343) 9.055 6.255 ( -7.508 -8.855 -5.276) 12.752 6.434 ( -5.550 -14.239 1.027) 15.317 6.600 ( -10.258 -5.969 -8.752) 14.746 6.744 ( -5.216 -3.416 0.685) 6.272 7.167 ( -5.843 -0.440 5.201) 7.835 7.285 ( 5.065 -0.707 0.353) 5.126 7.466 ( 3.312 9.579 7.703) 12.730 8.242 ( -10.635 3.192 0.747) 11.129 8.517 ( -1.790 -2.012 -0.576) 2.754 8.731 ( -0.350 3.370 1.626) 3.758 9.105 ( -4.763 -0.984 -2.254) 5.360 9.232 ( -0.077 2.706 -4.670) 5.398 9.487 ( 6.978 0.865 1.046) 7.109 9.916 ( -6.984 0.079 -6.760) 9.720 10.507 ( 3.904 7.402 4.136) 9.335 11.195 ( -12.050 -6.668 3.904) 14.314 11.613 ( 1.539 3.218 -7.993) 8.753 11.723 ( 15.344 -3.971 8.021) 17.764 12.473 ( 12.802 -4.996 10.643) 17.382 14.543 ( -1.751 -1.851 12.340) 12.600 15.446 ( 2.984 -14.622 -17.274) 22.828 16.727 ( -21.016 12.130 -5.553) 24.893 17.342 ( -8.565 2.359 5.434) 10.414 18.652 ( 7.929 0.201 1.553) 8.082 18.880 ( 16.254 -0.785 -5.331) 17.124 ======================= Grid point 292 (144/260) ======================= q-point: ( 0.30 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 10.311 10.786 -7.689) 16.787 2.317 ( 2.512 6.204 0.291) 6.700 2.387 ( 8.990 0.461 -2.155) 9.256 2.670 ( -1.459 2.909 2.157) 3.904 2.835 ( 0.681 -1.667 -0.748) 1.949 3.065 ( -6.453 -7.236 -6.095) 11.452 3.465 ( -9.006 -6.612 -1.560) 11.281 3.644 ( -4.264 3.694 -2.855) 6.323 3.694 ( 0.273 -7.875 -0.569) 7.900 3.982 ( 6.236 4.992 -16.962) 18.749 4.270 ( 3.197 7.723 0.855) 8.402 4.359 ( 11.356 -4.724 -2.651) 12.581 4.524 ( 8.977 3.276 2.046) 9.773 4.981 ( 8.915 10.382 1.711) 13.791 5.212 ( 1.784 -1.315 -3.116) 3.824 5.905 ( -4.419 -6.563 -3.892) 8.818 6.039 ( -13.096 -3.092 0.875) 13.484 6.165 ( -7.915 -0.038 5.176) 9.457 6.236 ( 4.511 3.241 4.254) 6.996 6.492 ( 1.948 -8.040 -8.547) 11.895 6.636 ( -5.588 -6.717 -4.614) 9.881 7.209 ( 0.839 -2.706 10.954) 11.315 7.338 ( 1.419 -2.331 0.823) 2.850 7.664 ( 4.971 6.496 15.192) 17.254 8.093 ( -7.268 2.551 3.208) 8.344 8.490 ( -0.638 -3.083 -0.859) 3.263 8.718 ( -4.408 2.415 2.304) 5.530 8.975 ( -5.406 -3.137 -3.808) 7.319 9.162 ( -2.199 4.530 -5.072) 7.147 9.602 ( 3.500 4.038 -0.767) 5.399 9.801 ( 2.071 -2.461 -5.185) 6.101 10.569 ( -3.309 6.183 8.169) 10.766 11.066 ( -4.718 -3.426 -1.877) 6.125 11.571 ( 3.942 3.370 -11.009) 12.169 12.058 ( 14.103 -4.309 9.109) 17.333 12.786 ( 9.389 -6.553 13.936) 18.036 14.598 ( -4.659 -5.766 8.440) 11.233 15.382 ( 5.781 -12.557 -10.393) 17.295 16.341 ( -15.905 14.184 -7.274) 22.518 17.230 ( -9.310 1.515 3.890) 10.203 18.788 ( 5.845 0.463 1.861) 6.152 19.082 ( 12.909 -0.874 -5.448) 14.039 ======================= Grid point 293 (145/260) ======================= q-point: (-0.60 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 8.679 18.892 -8.292) 22.383 2.260 ( -10.014 0.828 0.571) 10.065 2.394 ( -2.889 1.153 -8.784) 9.319 2.521 ( -0.741 1.912 -15.178) 15.316 2.845 ( -0.765 2.986 -3.580) 4.724 3.031 ( -0.981 -7.369 1.475) 7.579 3.232 ( -11.334 -7.325 2.818) 13.786 3.429 ( -10.941 2.953 -1.660) 11.454 3.747 ( 7.286 -1.682 -12.864) 14.879 3.889 ( -2.360 -0.476 -10.683) 10.951 4.365 ( 6.946 -0.929 3.811) 7.977 4.578 ( 16.258 -5.685 -2.698) 17.433 4.813 ( 16.016 1.594 3.892) 16.559 5.098 ( 4.157 4.179 0.243) 5.900 5.240 ( 0.236 4.852 0.960) 4.952 5.575 ( -17.761 0.132 -2.298) 17.909 5.832 ( -15.165 -1.539 0.341) 15.246 6.098 ( -0.905 -1.647 -8.652) 8.854 6.428 ( 3.637 -0.413 5.746) 6.813 6.457 ( -6.523 -5.420 -2.133) 8.745 6.563 ( 14.104 2.686 -4.825) 15.147 7.319 ( 3.073 2.371 -0.222) 3.888 7.393 ( -2.228 -9.559 17.179) 19.785 7.870 ( 2.769 5.329 13.621) 14.886 8.080 ( 0.354 -1.479 6.726) 6.896 8.472 ( -1.007 -3.444 -0.482) 3.620 8.618 ( -7.596 2.636 1.529) 8.184 8.884 ( -1.562 -2.753 -3.404) 4.648 9.083 ( -1.250 5.222 -5.396) 7.612 9.554 ( -2.636 5.621 -6.882) 9.269 9.908 ( 9.350 -3.440 1.684) 10.104 10.545 ( -9.164 3.074 9.997) 13.906 10.978 ( -1.675 0.639 -5.998) 6.260 11.545 ( 5.268 2.647 -12.059) 13.423 12.377 ( 12.073 -6.611 11.213) 17.754 13.018 ( 1.625 -8.061 13.715) 15.991 14.514 ( -9.493 -5.039 2.283) 10.987 15.463 ( 9.883 -2.758 -5.703) 11.739 16.089 ( -5.419 8.268 -3.721) 10.563 17.095 ( -8.976 0.437 0.951) 9.037 18.881 ( 2.523 0.939 2.279) 3.527 19.222 ( 9.116 -0.953 -5.376) 10.626 ======================= Grid point 294 (146/260) ======================= q-point: (-0.50 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -8.755 2.034 -7.298) 11.578 2.120 ( -5.398 3.567 -0.751) 6.514 2.220 ( -10.750 6.863 -6.104) 14.139 2.463 ( 8.897 15.278 -12.578) 21.698 2.688 ( -6.778 2.349 -10.500) 12.717 2.863 ( -11.421 -8.157 -6.846) 15.615 3.217 ( 1.689 -6.397 0.142) 6.618 3.345 ( 3.312 -5.241 -2.547) 6.703 3.721 ( -0.955 0.726 -5.340) 5.473 3.815 ( 3.182 1.692 -1.569) 3.931 4.516 ( 3.426 -10.716 3.338) 11.735 4.808 ( 9.411 -5.099 0.785) 10.733 4.839 ( -17.984 5.480 -1.003) 18.828 5.178 ( 4.047 3.989 -1.519) 5.882 5.261 ( 10.134 6.748 5.114) 13.205 5.495 ( 1.236 -3.838 5.063) 6.472 5.550 ( -14.615 1.409 -3.228) 15.034 5.961 ( -2.051 -0.169 -10.334) 10.537 6.206 ( -9.518 -2.735 -11.049) 14.838 6.642 ( 14.166 -0.696 -2.249) 14.360 6.820 ( 13.267 5.569 4.633) 15.116 7.343 ( 0.394 -0.125 1.184) 1.254 7.539 ( -0.858 -7.637 18.161) 19.720 8.010 ( 1.273 3.247 9.777) 10.381 8.182 ( 2.024 -5.965 7.034) 9.442 8.446 ( -3.111 2.711 4.774) 6.311 8.548 ( 0.045 -1.163 -1.787) 2.133 8.842 ( -0.448 -0.814 -2.408) 2.581 9.012 ( -1.190 5.527 -5.773) 8.081 9.429 ( -3.192 6.527 -8.235) 10.982 10.102 ( 9.006 -3.306 4.954) 10.798 10.436 ( -12.779 0.482 7.428) 14.789 10.892 ( -2.104 3.761 -5.672) 7.123 11.529 ( 5.905 1.429 -12.176) 13.608 12.678 ( 9.053 -12.136 14.207) 20.763 13.058 ( -9.910 -10.412 8.991) 16.954 14.403 ( -4.692 5.956 5.016) 9.092 15.484 ( 3.564 10.198 -16.947) 20.097 16.165 ( 10.421 -5.341 9.550) 15.111 16.936 ( -8.332 -0.914 -3.023) 8.910 18.913 ( -1.496 1.596 2.475) 3.303 19.294 ( 5.137 -1.337 -5.863) 7.908 ======================= Grid point 295 (147/260) ======================= q-point: (-0.40 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -9.669 5.781 -3.805) 11.891 1.912 ( -19.292 3.949 3.770) 20.050 2.028 ( -2.240 -1.110 3.854) 4.594 2.440 ( 1.042 4.992 -16.883) 17.637 2.579 ( -7.513 -3.686 -9.917) 12.976 2.640 ( 6.912 12.690 -3.471) 14.861 3.273 ( 5.962 -10.457 -2.901) 12.382 3.370 ( 0.476 -8.525 -4.027) 9.440 3.657 ( -2.650 -2.035 1.661) 3.731 3.904 ( 4.211 6.988 -2.380) 8.499 4.263 ( -28.274 8.455 4.883) 29.912 4.740 ( 3.101 -11.264 0.401) 11.690 4.905 ( -0.294 -5.664 3.688) 6.766 5.177 ( -5.346 2.241 -0.679) 5.836 5.325 ( -4.493 -1.168 -2.938) 5.494 5.425 ( 2.470 2.732 -2.465) 4.432 5.603 ( 8.666 -2.512 2.013) 9.244 5.928 ( 3.607 -0.432 -5.206) 6.349 5.949 ( -5.167 6.306 -8.998) 12.142 6.861 ( 14.724 -1.724 -5.368) 15.766 7.068 ( 12.179 5.755 0.234) 13.473 7.361 ( -0.719 -2.437 3.092) 4.002 7.692 ( 0.075 -6.998 16.288) 17.728 8.095 ( 0.097 1.110 5.699) 5.807 8.221 ( -2.898 -3.810 2.976) 5.637 8.506 ( 2.161 4.904 9.470) 10.881 8.573 ( 4.757 -4.572 -2.376) 7.012 8.825 ( 0.806 1.162 -1.761) 2.259 8.938 ( -1.568 5.590 -3.967) 7.032 9.309 ( -1.584 8.570 -7.974) 11.813 10.218 ( -12.422 -2.142 3.514) 13.086 10.321 ( 4.320 -0.974 5.801) 7.298 10.803 ( -3.992 4.639 -1.868) 6.399 11.523 ( 6.270 -0.018 -11.841) 13.399 12.856 ( -18.378 -11.432 3.160) 21.872 12.936 ( 3.763 -21.120 16.280) 26.930 14.494 ( 6.426 20.978 11.909) 24.963 15.332 ( 0.678 10.348 -21.350) 23.735 16.505 ( 13.502 -8.215 11.527) 19.562 16.763 ( -4.863 -1.646 -6.569) 8.337 18.873 ( -5.707 2.286 2.341) 6.579 19.285 ( 0.480 -2.204 -7.223) 7.566 ======================= Grid point 296 (148/260) ======================= q-point: (-0.30 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -18.967 6.452 2.268) 20.162 1.719 ( -14.173 9.361 13.441) 21.660 2.137 ( 3.863 -4.991 3.318) 7.131 2.320 ( 0.293 -3.336 -7.057) 7.811 2.421 ( 1.329 -1.738 -2.653) 3.439 2.750 ( 0.550 11.292 5.172) 12.432 3.168 ( -14.180 -7.222 -8.403) 17.996 3.364 ( -1.334 -3.471 -2.038) 4.241 3.635 ( -3.090 -9.951 3.731) 11.068 3.797 ( -4.578 16.479 -2.043) 17.225 4.038 ( -2.460 7.841 -1.206) 8.306 4.769 ( -0.092 -6.538 3.467) 7.401 4.839 ( -8.378 -6.612 -5.088) 11.824 5.151 ( 1.080 -6.942 6.502) 9.573 5.209 ( -2.426 -5.757 -5.222) 8.142 5.459 ( 2.169 3.732 -5.500) 6.991 5.635 ( -0.899 3.205 -7.986) 8.652 5.880 ( 5.481 1.043 2.598) 6.155 6.049 ( 7.712 3.801 0.065) 8.598 7.034 ( 10.243 -1.484 -4.573) 11.315 7.203 ( 5.141 4.697 -6.472) 9.507 7.380 ( 0.893 -5.993 1.908) 6.353 7.835 ( 0.517 -5.784 13.179) 14.402 8.079 ( -5.370 3.875 -2.530) 7.089 8.197 ( -2.062 -1.623 5.040) 5.682 8.636 ( 4.277 -4.652 -1.832) 6.580 8.666 ( 7.111 1.079 5.554) 9.087 8.843 ( 3.324 2.143 -1.422) 4.203 8.932 ( 1.923 4.560 4.200) 6.491 9.247 ( 2.791 11.880 -6.073) 13.631 9.954 ( -16.514 0.439 -1.830) 16.620 10.473 ( 3.670 -1.646 7.367) 8.394 10.726 ( -5.374 3.856 3.000) 7.263 11.530 ( 6.862 -1.774 -11.011) 13.095 12.533 ( -19.570 -8.830 0.237) 21.471 13.079 ( -5.075 -32.036 15.006) 35.738 14.803 ( 13.461 34.694 7.042) 37.875 15.167 ( 3.784 5.730 -12.307) 14.093 16.509 ( -6.235 -5.791 -8.770) 12.220 16.944 ( 16.516 -3.644 8.368) 18.870 18.761 ( -9.530 2.812 2.002) 10.136 19.168 ( -5.666 -3.180 -8.886) 11.008 ======================= Grid point 297 (149/260) ======================= q-point: (-0.20 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -15.977 5.103 9.289) 19.173 1.630 ( -15.533 9.647 16.624) 24.712 2.089 ( -4.493 -3.870 -0.440) 5.946 2.340 ( 1.953 0.186 -0.406) 2.004 2.509 ( -14.070 3.232 13.355) 19.667 2.740 ( -3.943 1.416 6.341) 7.600 2.884 ( -1.135 5.210 12.174) 13.290 3.311 ( -0.472 -7.637 -3.020) 8.226 3.497 ( -15.640 -4.846 0.809) 16.394 3.845 ( 10.330 17.992 -6.125) 21.632 4.122 ( 13.846 -1.425 -2.255) 14.101 4.590 ( -10.021 -6.326 -10.344) 15.730 4.800 ( -1.232 -2.577 2.524) 3.812 5.118 ( -1.969 -0.670 -1.931) 2.838 5.285 ( -6.610 3.120 -6.616) 9.859 5.303 ( 2.632 -7.722 1.782) 8.351 5.696 ( 10.918 -3.450 -2.137) 11.648 5.994 ( 3.448 -1.309 3.053) 4.788 6.199 ( 7.490 3.061 4.752) 9.384 7.105 ( -3.738 1.129 1.838) 4.316 7.132 ( 1.876 -2.585 -13.801) 14.166 7.412 ( 2.410 -5.578 -3.584) 7.055 7.902 ( -8.354 4.608 -5.671) 11.099 7.941 ( -1.747 -1.133 9.382) 9.610 8.215 ( -0.146 -1.818 1.612) 2.434 8.654 ( 0.959 -2.464 -2.365) 3.547 8.860 ( 9.249 1.035 3.847) 10.071 8.923 ( 7.544 0.800 -1.242) 7.687 9.018 ( 1.819 1.595 1.539) 2.867 9.368 ( 14.507 13.057 3.283) 19.792 9.641 ( -16.304 2.662 -3.393) 16.865 10.564 ( -0.817 -0.025 5.872) 5.928 10.686 ( -4.172 1.523 7.840) 9.010 11.563 ( 7.747 -4.111 -8.557) 12.254 12.216 ( -16.440 -6.056 -0.868) 17.542 12.995 ( -18.465 -36.154 8.677) 41.513 14.754 ( -4.750 23.283 -16.556) 28.962 15.524 ( 26.183 14.730 8.584) 31.244 16.372 ( 2.248 -2.805 -4.893) 6.071 17.279 ( 13.743 -1.966 5.905) 15.086 18.590 ( -11.772 2.985 1.727) 12.267 18.928 ( -12.464 -3.002 -8.189) 15.212 ======================= Grid point 298 (150/260) ======================= q-point: (-0.10 0.12 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -6.207 1.937 15.309) 16.633 1.455 ( -19.327 8.001 17.335) 27.167 1.918 ( -17.469 4.713 5.204) 18.827 2.273 ( 5.061 6.142 -3.578) 8.726 2.617 ( 3.776 11.354 27.814) 30.279 2.821 ( -0.704 -1.776 17.165) 17.271 3.139 ( -12.377 -6.403 -1.905) 14.065 3.219 ( 15.767 -4.515 10.957) 19.724 3.405 ( -0.082 -4.001 6.405) 7.552 3.872 ( 2.682 11.098 -13.836) 17.939 4.375 ( 4.967 5.994 -7.718) 10.962 4.389 ( 7.051 -6.797 -0.109) 9.794 4.752 ( -6.347 0.392 2.081) 6.691 5.030 ( -5.260 5.978 -9.440) 12.350 5.084 ( -2.406 0.245 -6.459) 6.897 5.416 ( 6.305 -4.244 -0.508) 7.617 5.900 ( 8.449 -12.190 6.849) 16.337 6.071 ( 3.383 -7.717 2.767) 8.869 6.392 ( 8.021 2.890 7.664) 11.464 6.911 ( -10.128 -4.864 -7.526) 13.523 7.083 ( -1.585 3.263 -5.104) 6.261 7.373 ( -2.282 -7.746 -5.302) 9.661 7.706 ( -6.533 4.375 -7.210) 10.668 7.917 ( -8.371 3.954 0.797) 9.292 8.248 ( 3.312 -3.856 1.831) 5.403 8.636 ( -0.851 1.027 -1.771) 2.217 9.004 ( 4.720 0.318 -0.366) 4.745 9.027 ( 0.827 1.946 -1.374) 2.521 9.086 ( 10.104 0.743 -0.236) 10.134 9.363 ( -11.334 5.088 -1.701) 12.539 9.737 ( 20.758 8.511 4.832) 22.949 10.524 ( -7.591 0.828 1.953) 7.881 10.771 ( 3.452 -0.915 12.142) 12.657 11.641 ( 7.248 -7.320 -3.335) 10.828 11.963 ( -11.211 -3.778 -1.891) 11.981 12.602 ( -30.845 -25.889 1.974) 40.318 14.545 ( -6.167 17.098 -5.237) 18.915 15.780 ( 7.388 -2.603 -15.758) 17.597 16.706 ( 29.661 8.368 10.154) 32.449 17.489 ( 4.900 0.780 2.054) 5.370 18.419 ( -8.567 2.375 1.920) 9.095 18.636 ( -13.198 -1.289 -3.334) 13.674 ======================= Grid point 299 (151/260) ======================= q-point: ( 0.00 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 3.686 11.047 11.159) 16.130 1.612 ( -3.267 11.182 13.043) 17.488 2.008 ( 0.318 10.922 -0.730) 10.951 2.531 ( 10.827 4.087 -1.636) 11.688 2.756 ( 5.226 -10.980 -1.358) 12.236 2.988 ( 0.054 -1.071 13.867) 13.908 3.067 ( 5.164 -2.425 6.832) 8.901 3.422 ( -5.189 8.111 7.856) 12.427 3.558 ( 9.199 2.842 12.514) 15.789 3.862 ( -0.392 1.405 10.388) 10.490 4.406 ( -4.339 -4.389 3.445) 7.068 4.650 ( -0.960 3.145 3.997) 5.176 4.802 ( 14.568 13.458 -12.737) 23.571 4.940 ( -5.775 7.869 -4.398) 10.705 5.094 ( 5.788 1.264 -12.878) 14.176 5.466 ( 9.316 -5.659 6.409) 12.644 5.706 ( 0.282 -15.306 3.609) 15.728 5.882 ( -2.200 -10.058 -1.236) 10.370 6.440 ( -7.588 -11.499 -0.663) 13.793 6.551 ( 2.199 -9.479 -9.580) 13.655 6.982 ( -10.488 -7.516 1.393) 12.978 7.139 ( 0.362 1.652 -1.841) 2.500 7.662 ( -1.529 5.677 -9.803) 11.431 7.805 ( -12.297 5.828 -6.963) 15.286 8.329 ( 3.772 1.363 4.418) 5.967 8.614 ( -0.999 -0.778 -3.268) 3.505 9.047 ( -5.691 4.753 0.405) 7.426 9.088 ( 7.170 0.133 -2.339) 7.544 9.246 ( 2.988 1.651 2.385) 4.165 9.351 ( -1.892 3.755 -0.498) 4.234 10.298 ( 16.784 10.668 0.979) 19.911 10.376 ( -12.688 1.297 1.172) 12.808 10.935 ( 7.390 -5.296 13.117) 15.960 11.364 ( -12.177 -14.214 10.914) 21.666 11.748 ( -3.490 -1.924 -3.141) 5.075 12.013 ( -2.025 -6.559 -0.660) 6.897 14.655 ( -4.725 8.869 -7.086) 12.296 15.457 ( -0.414 -11.974 -20.202) 23.488 17.374 ( 12.477 6.480 6.107) 15.328 17.539 ( -6.370 4.030 0.643) 7.565 18.406 ( 1.092 1.319 0.805) 1.892 18.488 ( 0.936 -0.324 -0.894) 1.334 ======================= Grid point 300 (152/260) ======================= q-point: ( 0.10 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 8.159 7.369 10.879) 15.467 1.849 ( 15.479 5.978 9.687) 19.214 2.082 ( 8.940 7.696 0.928) 11.832 2.655 ( 7.923 3.672 -5.628) 10.389 2.927 ( 3.669 -5.463 -1.998) 6.877 2.945 ( 5.937 -1.499 -3.285) 6.949 3.306 ( 1.230 2.384 11.486) 11.795 3.414 ( 3.920 -1.714 7.888) 8.973 3.740 ( 0.038 2.231 6.101) 6.496 4.018 ( 2.026 0.377 12.175) 12.349 4.315 ( -7.096 2.188 3.492) 8.206 4.595 ( -3.873 1.595 -10.429) 11.239 4.843 ( -4.428 14.004 2.683) 14.930 4.950 ( 11.609 17.765 -6.171) 22.101 5.096 ( 6.644 -2.644 -8.810) 11.346 5.642 ( 7.240 -4.602 -3.032) 9.099 5.763 ( 2.284 -9.980 9.372) 13.880 5.906 ( 3.136 -22.173 4.762) 22.895 6.233 ( -7.243 -10.310 -8.021) 14.937 6.522 ( -0.010 -16.188 -9.420) 18.729 6.828 ( -9.464 -3.431 3.584) 10.685 7.145 ( -0.021 -0.346 1.609) 1.646 7.509 ( -11.296 8.329 -6.217) 15.350 7.595 ( -0.204 5.883 -3.869) 7.044 8.396 ( -1.093 1.585 3.261) 3.787 8.551 ( -2.583 -0.899 -2.982) 4.046 8.903 ( -9.249 6.319 0.331) 11.207 9.196 ( 3.996 3.186 -0.236) 5.116 9.229 ( -1.743 -1.703 -1.466) 2.844 9.408 ( 5.536 2.036 0.423) 5.914 10.154 ( -12.318 2.470 -1.154) 12.617 10.556 ( 11.864 10.978 1.006) 16.196 11.137 ( -8.890 -14.780 11.636) 20.806 11.300 ( 6.567 -3.591 9.536) 12.123 11.693 ( 0.311 -0.154 -4.101) 4.116 12.091 ( 9.476 -6.269 1.345) 11.442 14.550 ( -4.009 4.524 0.571) 6.072 15.271 ( -0.359 -14.034 -18.311) 23.073 17.317 ( -16.324 8.132 -1.637) 18.311 17.478 ( -4.688 3.417 5.026) 7.676 18.505 ( 8.032 0.568 0.875) 8.100 18.621 ( 14.185 -1.100 -2.781) 14.497 ======================= Grid point 301 (153/260) ======================= q-point: ( 0.20 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 9.972 3.137 4.705) 11.464 2.204 ( 15.304 4.058 4.225) 16.387 2.354 ( 18.203 4.909 5.112) 19.534 2.681 ( 0.408 5.037 -6.080) 7.906 2.809 ( -2.808 -0.543 -0.184) 2.866 3.193 ( 7.799 0.601 -5.504) 9.565 3.335 ( 3.187 3.027 2.386) 5.001 3.545 ( -2.218 -6.759 5.349) 8.900 3.719 ( -3.684 -3.124 2.945) 5.657 4.149 ( 7.965 2.772 0.601) 8.454 4.289 ( 2.212 5.736 -0.146) 6.150 4.345 ( -11.213 4.513 -8.949) 15.040 4.750 ( -7.333 9.564 -5.817) 13.382 5.092 ( 8.629 13.310 -0.351) 15.866 5.137 ( 4.008 -2.814 -4.538) 6.676 5.732 ( 6.141 -5.796 0.660) 8.470 5.915 ( 0.902 -10.504 9.373) 14.107 6.032 ( 3.735 -19.743 4.733) 20.643 6.103 ( 2.326 -4.273 -5.187) 7.112 6.388 ( -1.642 -12.363 -10.927) 16.582 6.707 ( -9.373 -0.463 3.359) 9.967 7.131 ( -4.298 -2.920 3.091) 6.046 7.340 ( -2.627 4.928 -2.250) 6.021 7.622 ( 2.330 4.897 4.710) 7.182 8.331 ( -8.610 4.421 1.710) 9.829 8.482 ( -2.282 -1.290 -2.528) 3.642 8.793 ( -4.443 2.784 2.335) 5.740 9.089 ( -8.799 -0.938 -1.531) 8.980 9.279 ( 3.119 1.716 -3.553) 5.029 9.523 ( 6.872 1.746 1.946) 7.352 9.951 ( -8.989 4.403 -2.386) 10.289 10.714 ( 2.436 11.179 4.789) 12.404 11.023 ( -6.023 -9.264 2.454) 11.319 11.601 ( 13.183 -6.824 3.565) 15.266 11.679 ( 3.874 2.658 -1.465) 4.921 12.319 ( 11.657 -9.261 6.577) 16.276 14.518 ( -3.268 -0.019 5.018) 5.988 15.122 ( 0.588 -14.608 -12.881) 19.484 16.989 ( -17.580 11.514 -4.458) 21.483 17.389 ( -9.499 1.501 4.257) 10.517 18.662 ( 8.599 0.864 1.009) 8.701 18.852 ( 15.079 -1.863 -3.901) 15.686 ======================= Grid point 302 (154/260) ======================= q-point: ( 0.30 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 9.718 -0.967 2.028) 9.974 2.388 ( 5.659 0.150 -5.755) 8.073 2.576 ( 2.008 10.327 -8.841) 13.742 2.731 ( 9.386 -2.802 12.183) 15.633 2.835 ( 2.904 8.655 -2.379) 9.434 3.028 ( -11.646 6.611 -2.896) 13.701 3.307 ( -12.163 -6.211 0.465) 13.665 3.579 ( 3.793 -3.309 -1.720) 5.319 3.736 ( 1.498 2.955 -6.585) 7.371 4.072 ( 0.059 1.922 -12.152) 12.303 4.290 ( 4.589 2.842 -4.344) 6.928 4.388 ( 3.904 1.874 -4.031) 5.916 4.591 ( 2.866 2.168 0.648) 3.652 5.138 ( -0.868 0.666 -0.134) 1.102 5.234 ( 7.252 5.829 1.090) 9.368 5.739 ( -3.395 -10.145 -9.856) 14.546 5.909 ( -6.273 -7.662 4.187) 10.751 6.085 ( 2.390 -11.814 -2.985) 12.417 6.241 ( 6.533 0.262 12.385) 14.005 6.400 ( 10.322 0.999 -4.088) 11.147 6.547 ( -9.490 0.010 -1.005) 9.543 7.116 ( -3.437 -5.539 10.069) 11.995 7.325 ( 1.123 0.638 -0.940) 1.598 7.741 ( 2.616 0.065 10.207) 10.537 8.184 ( -8.404 5.769 1.443) 10.295 8.432 ( -0.904 -1.881 -1.991) 2.884 8.761 ( -4.521 1.459 4.139) 6.301 8.916 ( -7.386 -2.551 -2.498) 8.204 9.256 ( -0.776 4.111 -4.284) 5.988 9.674 ( 7.844 -1.318 2.265) 8.270 9.806 ( -5.303 7.421 -2.312) 9.409 10.705 ( -9.296 4.033 8.218) 13.047 11.014 ( 4.977 0.558 -5.262) 7.265 11.631 ( 3.659 1.458 -9.862) 10.619 11.943 ( 12.379 -5.592 8.824) 16.198 12.579 ( 8.767 -12.546 9.498) 18.013 14.502 ( -3.896 -2.159 3.935) 5.944 15.102 ( 6.059 -12.995 -1.347) 14.401 16.649 ( -14.967 13.762 -7.914) 21.818 17.248 ( -9.955 -0.241 1.889) 10.136 18.808 ( 6.673 1.439 1.528) 6.995 19.051 ( 11.996 -2.134 -3.904) 12.795 ======================= Grid point 303 (155/260) ======================= q-point: (-0.60 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -3.220 -4.614 -0.701) 5.670 2.338 ( -0.070 -3.194 -11.167) 11.615 2.503 ( -6.134 4.520 -5.139) 9.191 2.693 ( -1.287 16.618 -2.339) 16.831 2.929 ( -0.704 1.262 -7.936) 8.066 2.992 ( 4.629 6.464 2.864) 8.451 3.074 ( -12.599 -3.485 3.849) 13.627 3.501 ( -11.577 3.596 -5.174) 13.181 3.685 ( 8.274 -2.141 -5.681) 10.263 3.901 ( -5.646 -0.233 -15.698) 16.684 4.336 ( 3.670 -0.311 -6.008) 7.047 4.489 ( 14.862 -2.507 -0.515) 15.080 4.841 ( 15.628 0.684 5.114) 16.457 5.098 ( -5.736 -3.391 1.755) 6.891 5.365 ( 6.092 4.647 2.026) 7.926 5.537 ( -7.941 -3.771 -6.150) 10.729 5.785 ( -8.877 -3.069 -0.874) 9.433 6.062 ( -1.828 -1.705 -6.275) 6.754 6.322 ( -8.123 -4.190 -4.333) 10.115 6.468 ( 9.913 3.470 3.815) 11.174 6.649 ( 12.114 4.389 5.577) 14.039 7.177 ( -2.926 -10.448 12.709) 16.711 7.357 ( 2.040 1.097 3.095) 3.866 7.869 ( 0.490 -6.024 10.509) 12.123 8.106 ( -2.030 4.563 1.765) 5.297 8.418 ( 1.266 -1.593 -1.666) 2.630 8.668 ( -8.445 2.203 3.380) 9.359 8.847 ( -0.734 -1.013 0.319) 1.291 9.196 ( -1.259 5.286 -4.402) 6.993 9.688 ( -3.587 3.522 -3.880) 6.350 9.856 ( 7.650 2.129 4.884) 9.323 10.590 ( -10.905 0.044 5.560) 12.241 11.040 ( 3.386 5.901 -6.019) 9.084 11.597 ( 3.690 1.745 -11.112) 11.838 12.207 ( 8.512 -8.386 9.073) 15.003 12.755 ( 1.006 -15.763 8.461) 17.918 14.483 ( -1.174 2.579 4.748) 5.529 15.306 ( 12.855 -10.657 8.094) 18.556 16.338 ( -10.580 13.417 -10.931) 20.285 17.081 ( -9.610 -2.179 -1.813) 10.020 18.914 ( 3.493 2.159 2.115) 4.619 19.189 ( 8.038 -2.239 -3.781) 9.161 ======================= Grid point 304 (156/260) ======================= q-point: (-0.50 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -9.484 -1.473 -3.162) 10.105 2.211 ( -4.876 0.306 -6.822) 8.391 2.313 ( -11.017 4.336 -4.041) 12.510 2.616 ( -10.588 -6.460 -1.569) 12.502 2.818 ( -11.121 6.875 -7.940) 15.296 2.906 ( 8.465 16.918 -6.495) 20.002 3.103 ( 2.197 -4.552 1.431) 5.253 3.263 ( -6.172 1.432 -8.151) 10.324 3.710 ( -5.507 -1.101 -4.145) 6.980 3.848 ( 13.595 0.930 -2.323) 13.824 4.342 ( 2.741 -4.734 -3.779) 6.649 4.714 ( 9.322 -3.366 -0.070) 9.911 4.890 ( -13.502 -2.369 -4.720) 14.498 5.154 ( 11.024 -4.490 1.306) 11.974 5.429 ( -6.897 0.970 9.147) 11.497 5.460 ( 4.311 6.722 -0.846) 8.031 5.591 ( -9.925 3.071 -4.608) 11.365 5.947 ( -2.541 1.067 -4.389) 5.183 6.176 ( -2.341 -1.196 -8.253) 8.662 6.661 ( 13.346 1.907 -4.829) 14.320 6.902 ( 8.523 1.255 9.200) 12.604 7.231 ( -2.421 -10.075 9.154) 13.826 7.455 ( 2.396 0.102 8.755) 9.077 7.944 ( -1.247 -9.881 7.806) 12.654 8.136 ( 3.472 2.606 0.789) 4.412 8.437 ( 3.166 -2.960 -3.316) 5.458 8.604 ( -4.041 5.951 7.496) 10.389 8.850 ( -0.160 1.105 1.367) 1.765 9.133 ( -1.374 5.925 -4.249) 7.419 9.590 ( -3.241 6.703 -3.955) 8.430 10.042 ( 7.199 -0.931 6.755) 9.916 10.439 ( -10.774 -0.515 2.387) 11.047 11.012 ( -0.710 7.554 -4.896) 9.030 11.556 ( 3.826 0.698 -11.781) 12.407 12.395 ( 2.462 -13.110 10.539) 17.000 12.750 ( -8.354 -16.903 4.901) 19.482 14.601 ( 7.231 11.835 10.730) 17.535 15.612 ( 11.851 -1.819 2.765) 12.305 16.126 ( -1.492 4.721 -5.521) 7.416 16.884 ( -8.724 -4.267 -6.442) 11.654 18.961 ( -0.495 2.914 2.388) 3.800 19.253 ( 3.487 -2.512 -4.125) 5.957 ======================= Grid point 305 (157/260) ======================= q-point: (-0.40 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -1.135 -0.677 4.768) 4.948 2.008 ( -14.790 3.702 -3.918) 15.742 2.083 ( -12.027 6.284 4.693) 14.358 2.430 ( -7.490 -8.173 -6.264) 12.733 2.528 ( -9.140 5.970 -9.670) 14.584 2.945 ( 0.268 3.839 -4.253) 5.735 3.155 ( 3.188 -8.289 0.690) 8.908 3.189 ( 2.757 10.451 -4.694) 11.784 3.610 ( -4.751 -2.871 -0.291) 5.558 4.068 ( 13.877 5.795 -3.577) 15.458 4.321 ( -7.097 -3.147 0.885) 7.814 4.619 ( -7.461 -0.980 -4.322) 8.678 4.793 ( 0.925 -4.428 -0.461) 4.547 5.136 ( -10.486 -5.664 -4.323) 12.678 5.302 ( -13.242 3.847 3.247) 14.166 5.480 ( 5.856 2.087 -4.071) 7.431 5.626 ( 7.913 2.190 1.576) 8.361 5.900 ( -2.109 1.630 -0.036) 2.666 6.109 ( 3.876 5.811 -7.056) 9.929 6.842 ( 13.341 -1.107 -6.174) 14.742 7.096 ( 4.664 -5.884 7.285) 10.462 7.259 ( -1.515 -5.459 3.793) 6.818 7.589 ( 2.827 -1.443 10.468) 10.939 7.989 ( 0.126 -9.637 4.921) 10.821 8.211 ( 4.774 2.142 -1.765) 5.522 8.469 ( 5.063 -4.362 -4.192) 7.889 8.649 ( -0.951 7.619 9.607) 12.298 8.865 ( 0.493 2.202 1.204) 2.558 9.076 ( -1.626 7.397 -1.549) 7.730 9.514 ( -0.970 8.745 -3.999) 9.664 10.166 ( -5.226 -1.561 4.611) 7.142 10.315 ( -0.420 0.223 3.174) 3.209 10.934 ( -4.247 7.533 -2.239) 8.933 11.513 ( 3.804 -1.215 -11.847) 12.502 12.453 ( -9.262 -18.957 10.088) 23.387 12.615 ( -9.069 -14.012 4.739) 17.351 14.927 ( 15.931 18.946 15.631) 29.276 15.598 ( -0.925 13.098 -18.977) 23.076 16.301 ( 11.791 -10.047 11.473) 19.277 16.682 ( -3.612 -5.866 -9.747) 11.936 18.937 ( -4.849 3.523 2.176) 6.376 19.227 ( -1.822 -3.034 -5.005) 6.130 ======================= Grid point 306 (158/260) ======================= q-point: (-0.30 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -18.382 9.130 5.439) 21.233 1.924 ( -12.040 6.737 10.042) 17.064 2.038 ( 3.155 -3.724 7.962) 9.339 2.257 ( -4.241 -0.190 -1.570) 4.526 2.408 ( 2.237 0.465 -3.853) 4.480 2.892 ( -2.757 -3.728 -2.873) 5.454 3.106 ( -7.745 7.551 2.821) 11.179 3.286 ( 6.177 -3.824 1.132) 7.353 3.471 ( -11.736 -3.626 -1.546) 12.380 4.123 ( -12.011 2.969 2.902) 12.709 4.234 ( 12.926 17.042 -11.977) 24.514 4.607 ( 1.938 -6.658 2.840) 7.493 4.752 ( -6.813 -1.025 -1.503) 7.052 4.918 ( -1.247 -13.749 -5.007) 14.685 5.167 ( -7.173 3.008 3.925) 8.712 5.510 ( 0.535 0.997 -6.192) 6.295 5.639 ( -1.491 -2.122 -5.131) 5.749 5.952 ( 4.127 5.803 5.318) 8.887 6.154 ( 6.283 5.162 -4.174) 9.140 6.991 ( 8.748 -5.092 -4.442) 11.054 7.153 ( -3.940 -12.364 2.184) 13.159 7.270 ( 1.873 -0.311 -0.839) 2.076 7.742 ( 4.011 -2.263 9.550) 10.602 8.036 ( 1.598 -6.886 0.155) 7.071 8.239 ( 0.968 4.902 -2.869) 5.762 8.537 ( 6.344 -3.993 -3.358) 8.214 8.737 ( 3.572 4.632 5.560) 8.070 8.891 ( 1.949 2.071 0.099) 2.846 9.069 ( -0.871 8.082 4.566) 9.323 9.498 ( 3.121 9.443 -2.452) 10.244 9.987 ( -12.029 3.707 -1.692) 12.701 10.439 ( 4.008 -1.505 7.746) 8.850 10.835 ( -6.721 6.391 1.819) 9.451 11.469 ( 3.351 -4.069 -10.891) 12.099 12.270 ( -16.086 -14.353 4.637) 22.051 12.545 ( -10.150 -18.419 10.000) 23.287 15.328 ( 1.620 9.062 -10.654) 14.080 15.443 ( 17.897 24.879 2.101) 30.719 16.353 ( -4.228 -8.064 -7.489) 11.790 16.831 ( 18.013 -6.889 7.710) 20.770 18.835 ( -8.924 3.839 1.593) 9.845 19.095 ( -7.747 -3.330 -5.738) 10.200 ======================= Grid point 307 (159/260) ======================= q-point: (-0.20 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -17.143 12.199 9.877) 23.243 1.821 ( -11.110 6.893 9.971) 16.443 2.093 ( -2.535 3.713 6.327) 7.762 2.310 ( 2.476 -1.244 6.696) 7.247 2.514 ( 6.112 -2.697 4.325) 7.958 2.787 ( -5.192 1.534 1.384) 5.588 3.035 ( -4.924 6.704 11.779) 14.420 3.227 ( -12.635 1.335 0.278) 12.709 3.357 ( -2.831 -5.977 5.223) 8.427 4.030 ( -0.017 -4.423 -0.136) 4.425 4.307 ( 5.167 20.892 -11.637) 24.466 4.524 ( 1.100 -0.050 -7.741) 7.819 4.742 ( 0.352 -2.986 3.768) 4.820 5.005 ( 7.424 -17.230 4.708) 19.343 5.113 ( -1.855 1.629 1.601) 2.942 5.352 ( -8.230 1.941 -7.702) 11.438 5.626 ( 3.979 -3.075 -4.890) 7.015 6.018 ( -1.151 3.698 1.535) 4.166 6.254 ( 7.518 1.740 0.040) 7.717 6.969 ( -8.332 -15.130 -2.837) 17.504 7.122 ( 3.224 0.057 -3.895) 5.056 7.265 ( -1.469 -5.962 -2.467) 6.618 7.888 ( 3.774 -1.532 4.243) 5.882 7.994 ( -2.506 0.734 -5.314) 5.921 8.233 ( 0.271 4.535 -0.505) 4.571 8.604 ( 4.603 -2.459 -3.076) 6.058 8.883 ( 8.441 1.028 2.199) 8.783 8.938 ( 4.328 0.623 -0.995) 4.485 9.105 ( -0.507 6.306 4.628) 7.838 9.568 ( 1.668 2.742 1.859) 3.709 9.804 ( -2.643 14.206 -1.870) 14.570 10.554 ( 0.885 -1.059 7.224) 7.354 10.745 ( -7.605 4.175 6.276) 10.708 11.432 ( 2.101 -8.168 -7.023) 10.976 12.046 ( -13.221 -8.825 2.557) 16.100 12.405 ( -16.462 -19.672 9.120) 27.224 15.088 ( -3.832 11.269 -21.191) 24.306 15.776 ( 7.733 3.747 -8.809) 12.307 16.394 ( 17.990 7.559 6.865) 20.686 17.212 ( 16.338 -4.443 7.422) 18.487 18.667 ( -11.556 3.796 0.927) 12.198 18.865 ( -12.574 -2.556 -4.903) 13.736 ======================= Grid point 308 (160/260) ======================= q-point: (-0.10 0.25 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -7.443 12.310 11.732) 18.563 1.694 ( -15.245 13.974 11.685) 23.753 2.065 ( -5.624 8.247 1.173) 10.051 2.360 ( 4.743 0.541 2.058) 5.199 2.684 ( 7.407 -6.260 5.341) 11.072 2.832 ( -2.302 0.936 15.458) 15.656 3.021 ( -5.120 -2.000 -0.499) 5.519 3.236 ( 7.749 6.998 18.143) 20.932 3.384 ( -3.366 2.787 13.693) 14.374 3.946 ( -6.451 -4.013 -7.866) 10.936 4.337 ( 7.687 0.154 0.125) 7.690 4.594 ( 6.831 14.381 -1.771) 16.019 4.741 ( 0.773 -1.237 -2.922) 3.266 5.091 ( 2.206 0.122 -8.622) 8.900 5.118 ( -2.216 -0.148 -8.142) 8.440 5.252 ( 4.648 -8.030 10.514) 14.022 5.661 ( 3.439 -8.729 -1.631) 9.523 5.963 ( -4.210 -1.006 -1.597) 4.614 6.389 ( 6.226 -3.308 2.280) 7.410 6.751 ( -10.417 -12.544 -6.932) 17.718 7.115 ( -3.848 -2.053 0.635) 4.408 7.182 ( -2.125 -5.557 -5.834) 8.333 7.804 ( -3.430 4.110 -11.090) 12.315 7.995 ( -3.153 2.677 0.056) 4.137 8.234 ( 1.771 3.083 1.409) 3.824 8.635 ( 2.008 -1.329 -2.945) 3.804 8.999 ( 5.743 -0.474 -1.954) 6.085 9.047 ( 5.262 -0.592 0.956) 5.381 9.147 ( 3.073 5.309 2.174) 6.508 9.468 ( -9.648 3.713 0.459) 10.348 9.980 ( 16.749 13.351 2.467) 21.561 10.546 ( -8.696 1.120 3.909) 9.600 10.751 ( 0.465 -0.611 10.932) 10.959 11.414 ( -1.862 -12.865 1.971) 13.148 11.870 ( -8.240 -4.304 -0.640) 9.319 12.171 ( -16.442 -14.447 4.787) 22.405 14.842 ( -4.674 11.239 -15.532) 19.733 15.654 ( -0.771 -8.682 -19.590) 21.442 16.933 ( 27.408 11.582 10.187) 31.450 17.492 ( 8.711 -0.854 4.161) 9.691 18.481 ( -9.523 3.111 0.562) 10.034 18.610 ( -11.667 -0.984 -2.210) 11.915 ======================= Grid point 309 (161/260) ======================= q-point: ( 0.00 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 6.589 12.546 2.682) 14.423 1.889 ( -5.255 12.428 5.511) 14.576 2.225 ( 1.857 7.463 -0.756) 7.728 2.390 ( 6.805 -11.561 7.997) 15.618 2.746 ( 8.783 5.717 -5.304) 11.745 2.942 ( 2.717 -3.046 15.167) 15.707 3.064 ( 0.224 3.474 6.880) 7.711 3.391 ( -1.687 -5.758 9.280) 11.051 3.839 ( 4.171 14.772 5.476) 16.298 3.911 ( 1.005 5.299 16.439) 17.302 4.233 ( -3.704 -9.642 9.987) 14.368 4.613 ( 1.021 -7.258 -5.900) 9.409 4.983 ( 8.689 -3.122 -5.955) 10.986 5.114 ( 14.325 0.249 -5.094) 15.206 5.165 ( -0.225 11.234 -0.757) 11.261 5.358 ( 3.394 6.411 4.162) 8.363 5.487 ( 1.406 -5.964 -5.863) 8.481 5.817 ( -9.745 2.682 -4.851) 11.211 6.175 ( -9.885 -15.299 -2.340) 18.365 6.207 ( -0.230 -17.926 -7.579) 19.464 6.944 ( -6.207 2.470 -1.374) 6.820 7.120 ( -0.032 -3.304 -3.219) 4.613 7.787 ( -1.721 5.991 -7.121) 9.463 7.904 ( -8.556 2.592 -6.246) 10.905 8.379 ( 2.619 3.281 1.063) 4.331 8.565 ( -0.280 -3.737 -4.170) 5.606 9.087 ( 6.795 0.254 -1.093) 6.887 9.108 ( 1.644 0.759 0.337) 1.842 9.311 ( -1.159 4.370 3.448) 5.685 9.414 ( -4.572 1.485 0.884) 4.888 10.413 ( -8.725 2.886 5.010) 10.467 10.507 ( 10.927 5.994 1.718) 12.581 10.830 ( -1.764 -2.098 12.939) 13.226 11.116 ( -5.486 -9.665 10.114) 15.027 11.725 ( -1.216 0.059 -3.610) 3.810 11.871 ( 0.956 -6.320 -1.951) 6.683 14.831 ( -4.089 7.946 -13.917) 16.540 15.211 ( -2.504 -10.783 -19.739) 22.631 17.498 ( 7.180 4.919 6.059) 10.605 17.593 ( -1.595 0.878 2.920) 3.441 18.435 ( 0.042 1.326 -0.435) 1.396 18.478 ( 0.545 -0.634 -1.203) 1.465 ======================= Grid point 310 (162/260) ======================= q-point: ( 0.10 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 9.296 12.407 0.958) 15.533 1.992 ( 11.824 7.032 5.899) 14.968 2.268 ( 4.102 8.839 2.125) 9.974 2.593 ( 8.670 -8.614 1.462) 12.309 2.839 ( 10.801 1.635 -4.029) 11.643 3.029 ( -1.337 2.166 -3.182) 4.075 3.231 ( 5.154 -2.917 18.081) 19.026 3.439 ( -2.988 -2.752 11.683) 12.369 3.864 ( -3.109 12.753 -2.634) 13.388 4.086 ( 2.864 5.473 12.880) 14.285 4.310 ( 1.220 -2.996 8.448) 9.046 4.552 ( -0.281 -7.145 -11.012) 13.130 5.026 ( 4.002 -0.950 -6.554) 7.737 5.134 ( -4.142 8.851 -1.009) 9.824 5.318 ( 10.483 14.177 -4.556) 18.211 5.431 ( 2.301 -11.512 1.812) 11.879 5.526 ( 2.255 -6.410 2.433) 7.217 5.689 ( 2.062 -1.352 1.901) 3.114 6.000 ( -4.566 -11.420 -5.444) 13.450 6.136 ( 1.458 -18.090 -7.650) 19.695 6.834 ( -6.134 3.409 0.574) 7.041 7.079 ( -1.647 -5.502 -2.343) 6.202 7.671 ( -10.219 6.354 -6.203) 13.538 7.710 ( -1.892 4.436 -2.715) 5.534 8.420 ( 0.334 0.787 0.906) 1.246 8.508 ( -1.599 -2.881 -3.252) 4.630 9.032 ( -8.908 5.545 -0.024) 10.492 9.180 ( 0.726 -2.152 -1.463) 2.702 9.279 ( -2.035 3.941 2.244) 4.971 9.427 ( 3.947 -0.894 0.844) 4.134 10.263 ( -10.620 8.104 3.913) 13.920 10.744 ( 11.267 -2.606 0.729) 11.587 10.874 ( -7.427 -0.894 13.658) 15.572 11.202 ( 7.047 -5.828 7.443) 11.791 11.707 ( 2.767 1.956 -3.531) 4.894 11.936 ( 7.777 -7.765 -1.006) 11.036 14.659 ( -4.215 5.813 -7.373) 10.292 15.002 ( -2.367 -11.067 -16.088) 19.670 17.458 ( -13.105 5.017 0.594) 14.045 17.531 ( -7.431 1.330 4.055) 8.570 18.523 ( 8.863 1.164 -0.103) 8.940 18.591 ( 12.286 -1.671 -1.889) 12.543 ======================= Grid point 311 (163/260) ======================= q-point: ( 0.20 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 4.748 8.997 1.052) 10.228 2.272 ( 11.548 0.745 1.601) 11.682 2.439 ( 11.299 5.368 5.182) 13.540 2.714 ( 9.019 -3.142 -3.986) 10.349 2.877 ( -3.110 6.266 -0.338) 7.003 3.145 ( 15.488 -2.773 -5.020) 16.515 3.401 ( -2.753 -3.364 10.779) 11.622 3.467 ( -5.338 -4.005 10.237) 12.220 3.770 ( -1.188 15.319 -3.802) 15.829 4.230 ( 5.740 3.629 -4.149) 7.958 4.374 ( 2.474 0.001 -4.009) 4.711 4.409 ( -5.261 1.470 0.479) 5.484 4.878 ( -12.840 3.721 -9.270) 16.268 5.092 ( 2.086 1.551 0.856) 2.737 5.340 ( -1.386 4.667 -3.025) 5.732 5.531 ( 10.074 -16.532 -3.784) 19.725 5.575 ( 1.229 -9.719 -3.628) 10.446 5.813 ( 1.886 -5.569 3.581) 6.884 6.001 ( 7.948 -2.702 5.888) 10.254 6.208 ( 12.513 -4.875 -0.452) 13.437 6.733 ( -7.800 3.469 2.543) 8.907 7.024 ( -2.948 -7.139 -0.862) 7.772 7.472 ( -7.108 7.055 -3.321) 10.551 7.675 ( -1.964 -0.118 1.965) 2.781 8.393 ( -3.377 1.577 -0.352) 3.743 8.462 ( -1.641 -0.918 -1.808) 2.609 8.868 ( -9.001 4.445 1.421) 10.139 9.050 ( -10.497 -2.904 -1.180) 10.955 9.327 ( 3.127 3.259 -0.719) 4.573 9.512 ( 4.252 -3.084 1.185) 5.384 10.139 ( -7.576 12.918 3.548) 15.390 10.757 ( -10.194 -12.174 8.388) 17.958 10.995 ( 10.991 11.063 -0.682) 15.609 11.434 ( 11.762 -8.718 2.803) 14.906 11.752 ( 5.173 4.644 -0.827) 7.001 12.100 ( 9.747 -10.719 2.572) 14.714 14.554 ( -3.368 3.459 -1.320) 5.005 14.851 ( -0.743 -10.735 -9.048) 14.059 17.198 ( -15.256 8.067 -2.228) 17.400 17.393 ( -11.094 -1.268 2.377) 11.416 18.692 ( 9.839 1.919 0.221) 10.027 18.802 ( 13.401 -2.732 -2.252) 13.861 ======================= Grid point 312 (164/260) ======================= q-point: ( 0.30 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 3.071 2.324 -1.082) 4.000 2.338 ( -1.279 -5.467 -4.010) 6.900 2.682 ( 10.233 1.894 3.044) 10.843 2.740 ( -2.700 5.690 -1.424) 6.457 2.960 ( 8.195 2.426 1.639) 8.702 3.203 ( -10.352 -4.815 2.847) 11.767 3.314 ( -1.543 12.993 -5.400) 14.155 3.511 ( 3.265 -2.721 0.054) 4.250 3.816 ( 5.710 6.399 -6.474) 10.746 4.064 ( -7.834 -2.132 -9.709) 12.656 4.384 ( 0.216 -0.063 -4.725) 4.730 4.434 ( 2.677 4.142 -4.805) 6.886 4.665 ( 2.907 8.841 -2.885) 9.743 5.109 ( -5.226 -1.803 5.543) 7.829 5.315 ( 0.683 -1.035 0.765) 1.457 5.494 ( 0.644 -12.148 -7.929) 14.521 5.695 ( 8.582 -10.455 -4.973) 14.412 5.826 ( 4.481 -9.112 -2.449) 10.445 6.299 ( 10.989 5.311 12.813) 17.696 6.472 ( 14.873 2.386 2.501) 15.269 6.593 ( -11.870 4.732 3.259) 13.188 6.970 ( -3.633 -8.480 2.254) 9.496 7.376 ( -2.511 4.661 0.402) 5.310 7.673 ( -2.346 -5.960 5.351) 8.346 8.308 ( -5.548 5.271 -0.945) 7.711 8.415 ( -1.042 -0.158 -2.046) 2.301 8.782 ( -5.122 0.812 4.845) 7.097 8.862 ( -8.437 -2.592 -0.519) 8.841 9.343 ( 0.261 4.515 -1.789) 4.863 9.584 ( 2.833 -5.639 0.940) 6.380 10.070 ( -4.171 15.168 3.532) 16.123 10.646 ( -9.528 -8.595 5.089) 13.804 11.149 ( 8.867 10.401 -3.892) 14.211 11.582 ( 7.167 -6.807 -6.825) 12.012 11.893 ( 7.879 2.406 5.914) 10.141 12.289 ( 7.211 -13.720 4.948) 16.270 14.521 ( -0.883 3.734 2.846) 4.778 14.847 ( 4.885 -10.837 1.966) 12.048 16.907 ( -13.977 10.507 -5.843) 18.437 17.208 ( -11.187 -3.630 -0.637) 11.778 18.852 ( 7.906 2.698 0.850) 8.396 18.993 ( 10.734 -3.263 -2.020) 11.399 ======================= Grid point 313 (165/260) ======================= q-point: (-0.60 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -1.791 -2.378 -2.784) 4.076 2.221 ( -4.006 -6.261 -8.255) 11.108 2.625 ( -8.267 6.144 -1.890) 10.472 2.851 ( -3.117 -4.963 -2.430) 6.345 2.873 ( -6.986 4.791 2.012) 8.706 3.066 ( -3.785 -0.636 -0.945) 3.953 3.321 ( 1.239 15.732 -2.640) 16.000 3.563 ( -1.650 2.067 -6.675) 7.180 3.691 ( 2.266 2.254 -6.379) 7.135 3.855 ( -7.185 -3.803 -9.635) 12.607 4.387 ( 2.693 3.269 -10.283) 11.121 4.482 ( 11.820 2.172 -2.227) 12.223 4.827 ( 11.558 -1.266 0.466) 11.636 4.996 ( -8.629 -4.247 -0.440) 9.628 5.377 ( 0.281 -2.384 8.789) 9.111 5.496 ( 4.048 -0.885 -1.449) 4.390 5.716 ( 1.546 -1.872 -3.960) 4.645 5.951 ( 11.797 -8.675 -7.035) 16.246 6.361 ( -15.258 7.360 1.933) 17.050 6.552 ( 5.266 2.947 6.632) 8.967 6.730 ( 10.564 3.119 3.931) 11.695 6.957 ( -1.149 -9.917 5.248) 11.279 7.387 ( 0.886 2.570 4.585) 5.330 7.687 ( -2.351 -9.813 6.425) 11.962 8.221 ( -2.261 5.540 -1.675) 6.214 8.388 ( 0.306 -1.816 -3.315) 3.792 8.720 ( -5.552 2.733 6.071) 8.670 8.824 ( -0.301 -1.502 4.012) 4.295 9.315 ( -1.340 6.296 -1.592) 6.631 9.622 ( 0.250 -6.490 1.327) 6.629 10.063 ( -0.451 13.320 3.759) 13.848 10.526 ( -8.259 -6.113 2.106) 10.489 11.221 ( 4.558 10.334 -5.711) 12.656 11.591 ( 3.773 -3.279 -10.144) 11.309 12.073 ( 4.943 -2.590 6.979) 8.935 12.408 ( 0.816 -15.559 4.624) 16.252 14.605 ( 5.456 8.257 8.497) 13.044 15.059 ( 12.142 -12.025 11.163) 20.412 16.612 ( -11.649 11.918 -10.182) 19.529 16.995 ( -10.590 -5.835 -4.884) 13.041 18.972 ( 4.651 3.307 1.463) 5.891 19.128 ( 6.853 -3.416 -1.761) 7.857 ======================= Grid point 314 (166/260) ======================= q-point: (-0.50 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -6.870 -0.933 -2.301) 7.305 2.106 ( -0.650 -6.807 -7.892) 10.442 2.410 ( -13.089 3.387 -3.308) 13.919 2.526 ( -16.311 -2.850 -4.736) 17.222 2.957 ( -8.321 4.364 -2.518) 9.728 2.981 ( 3.634 -1.593 1.769) 4.344 3.174 ( -11.612 7.362 -5.488) 14.804 3.408 ( -0.388 4.295 -3.832) 5.769 3.728 ( -2.238 5.119 -3.772) 6.741 3.868 ( 14.081 1.119 -1.395) 14.194 4.311 ( 2.132 0.992 -10.550) 10.809 4.610 ( 3.203 -9.762 -8.283) 13.197 4.811 ( -3.522 0.892 -2.277) 4.288 5.051 ( 6.004 -5.032 1.384) 7.956 5.441 ( -2.525 1.739 8.620) 9.149 5.562 ( 3.030 0.486 0.894) 3.197 5.712 ( 1.680 8.195 -4.987) 9.740 6.045 ( 0.912 3.421 -1.475) 3.835 6.136 ( -4.846 1.739 -2.402) 5.682 6.644 ( -0.347 -6.897 5.433) 8.787 6.885 ( 6.092 -0.069 0.042) 6.093 7.041 ( 3.793 -6.346 5.949) 9.489 7.477 ( 3.071 1.751 6.590) 7.478 7.716 ( -0.515 -10.201 5.760) 11.726 8.209 ( 3.012 3.844 -2.559) 5.514 8.368 ( 2.340 -3.389 -5.008) 6.484 8.738 ( -1.315 5.775 8.828) 10.631 8.865 ( 0.059 -0.176 4.439) 4.443 9.278 ( -1.867 8.019 0.019) 8.233 9.620 ( -2.148 -4.232 2.143) 5.208 10.121 ( 2.448 7.808 4.531) 9.353 10.402 ( -6.957 -3.209 -0.090) 7.662 11.204 ( -0.142 10.133 -5.833) 11.693 11.540 ( 1.963 -2.793 -11.049) 11.565 12.173 ( -1.373 -6.482 7.416) 9.945 12.401 ( -5.300 -14.819 3.377) 16.096 14.875 ( 13.311 13.566 14.333) 23.805 15.439 ( 16.801 -11.820 14.559) 25.178 16.326 ( -8.240 11.476 -13.709) 19.686 16.755 ( -9.240 -7.737 -9.843) 15.560 19.032 ( 0.481 3.666 1.662) 4.054 19.190 ( 2.124 -3.388 -1.931) 4.440 ======================= Grid point 315 (167/260) ======================= q-point: (-0.40 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -1.881 -0.122 3.908) 4.339 2.014 ( -6.391 -2.901 -1.890) 7.269 2.159 ( -11.966 0.995 -1.705) 12.128 2.269 ( -6.947 -6.035 -3.667) 9.906 2.716 ( -14.540 8.902 -2.057) 17.173 2.908 ( -7.921 -3.166 -4.508) 9.648 3.086 ( 1.724 4.255 3.493) 5.769 3.474 ( 4.115 -3.249 1.241) 5.388 3.604 ( -6.672 14.547 -5.068) 16.787 4.060 ( 4.985 -4.466 2.239) 7.057 4.313 ( 9.247 1.386 -9.326) 13.207 4.504 ( 0.971 -9.720 -10.482) 14.328 4.761 ( -4.487 2.553 -0.155) 5.164 5.012 ( -9.624 -5.911 -2.170) 11.501 5.478 ( 1.705 4.424 -0.429) 4.761 5.581 ( -5.588 8.676 3.635) 10.941 5.636 ( -2.235 4.886 -4.114) 6.767 6.028 ( 0.302 9.508 5.184) 10.834 6.170 ( 8.004 -0.835 -7.438) 10.958 6.668 ( -4.535 -17.434 8.786) 20.042 6.975 ( 7.295 -0.156 -4.738) 8.700 7.150 ( 2.926 -5.789 3.857) 7.546 7.599 ( 4.213 1.518 6.036) 7.516 7.784 ( 2.974 -8.476 4.421) 10.012 8.264 ( 6.397 2.732 -4.020) 8.034 8.390 ( 5.735 -3.221 -5.143) 8.349 8.798 ( -1.032 5.746 7.341) 9.379 8.899 ( -0.008 0.688 2.825) 2.908 9.258 ( -2.142 9.752 3.451) 10.564 9.596 ( -2.804 -1.858 2.425) 4.147 10.192 ( -1.201 3.885 2.929) 5.012 10.316 ( -0.965 -0.493 1.548) 1.889 11.118 ( -4.265 9.552 -4.012) 11.204 11.459 ( 0.213 -4.306 -10.702) 11.537 12.154 ( -8.900 -8.316 7.629) 14.372 12.322 ( -6.791 -12.705 3.587) 14.846 15.296 ( 17.440 15.998 16.231) 28.697 15.782 ( 7.725 0.090 -1.486) 7.867 16.161 ( 3.848 0.598 -2.218) 4.482 16.522 ( -3.160 -8.957 -12.750) 15.899 19.015 ( -4.169 3.696 1.313) 5.724 19.161 ( -3.240 -3.193 -2.527) 5.204 ======================= Grid point 316 (168/260) ======================= q-point: (-0.30 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -11.180 3.943 6.744) 13.639 1.958 ( -7.196 -2.077 4.304) 8.638 1.983 ( -0.248 0.897 8.022) 8.076 2.244 ( 2.816 -5.054 2.240) 6.204 2.510 ( -7.510 9.115 1.643) 11.924 2.787 ( -3.728 -4.467 0.815) 5.875 3.144 ( 0.929 0.748 2.239) 2.537 3.314 ( -14.441 -1.498 -3.981) 15.054 3.581 ( -0.717 14.625 1.069) 14.682 4.053 ( -4.833 -7.039 1.741) 8.715 4.464 ( 15.736 1.896 -8.446) 17.959 4.505 ( 3.554 -3.306 -1.399) 5.052 4.656 ( -5.788 -6.153 -2.383) 8.778 4.775 ( -9.641 -0.927 -4.708) 10.770 5.419 ( -7.489 20.303 2.022) 21.735 5.515 ( -2.301 0.390 -4.654) 5.207 5.583 ( -0.107 -1.845 -3.526) 3.981 6.110 ( 2.171 8.226 4.355) 9.558 6.227 ( 5.969 0.452 -6.802) 9.061 6.634 ( -8.763 -23.472 8.263) 26.382 7.054 ( 7.609 -0.074 -6.197) 9.814 7.199 ( 0.224 -5.522 0.587) 5.557 7.736 ( 5.578 1.282 5.426) 7.887 7.890 ( 5.339 -6.134 1.709) 8.309 8.332 ( 5.712 3.713 -5.118) 8.521 8.464 ( 7.618 -3.006 -4.555) 9.372 8.838 ( 0.619 4.279 3.287) 5.431 8.920 ( 0.743 0.470 0.626) 1.079 9.262 ( -2.815 9.678 5.861) 11.659 9.573 ( -2.682 -2.126 2.890) 4.480 10.135 ( -3.261 9.059 -0.677) 9.651 10.399 ( 3.153 -2.616 6.651) 7.811 10.995 ( -7.386 8.450 -0.429) 11.231 11.352 ( -2.319 -6.983 -8.292) 11.085 12.035 ( -11.059 -5.997 6.014) 13.944 12.229 ( -8.913 -12.237 4.638) 15.834 15.535 ( -1.768 10.121 -11.471) 15.399 15.810 ( 8.435 6.817 -4.782) 11.853 16.243 ( 7.840 1.298 -0.349) 7.954 16.654 ( 19.796 -9.749 7.143) 23.193 18.913 ( -8.565 3.397 0.611) 9.234 19.032 ( -8.548 -2.631 -3.038) 9.445 ======================= Grid point 317 (169/260) ======================= q-point: (-0.20 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -11.941 11.097 8.473) 18.372 1.916 ( -1.130 2.012 8.491) 8.799 2.118 ( 0.836 -0.847 11.372) 11.434 2.313 ( -1.475 -3.853 3.257) 5.257 2.499 ( -0.119 5.851 7.534) 9.540 2.791 ( 1.515 -2.216 5.521) 6.139 3.038 ( -11.861 -1.129 -2.065) 12.092 3.175 ( 0.412 -4.877 4.375) 6.564 3.569 ( -3.274 18.897 7.683) 20.661 3.957 ( -6.360 -2.162 -0.256) 6.722 4.430 ( -13.088 -4.583 -1.149) 13.915 4.603 ( 0.835 -13.290 10.769) 17.126 4.649 ( 15.675 2.437 -10.754) 19.165 4.749 ( 9.279 -0.646 -7.622) 12.026 5.316 ( -5.059 18.826 -0.339) 19.496 5.402 ( -3.658 4.178 -6.008) 8.181 5.558 ( 1.045 -3.299 -4.868) 5.973 6.128 ( -2.966 5.788 -0.191) 6.507 6.259 ( 4.033 -2.404 -4.806) 6.719 6.522 ( -11.105 -23.868 5.115) 26.817 7.111 ( 4.538 -0.735 -4.782) 6.634 7.169 ( -2.361 -3.669 -2.557) 5.058 7.880 ( 5.477 0.764 2.523) 6.079 7.967 ( 3.531 -2.333 -2.041) 4.699 8.358 ( 2.289 5.934 -3.886) 7.454 8.544 ( 5.867 -3.210 -4.351) 7.978 8.905 ( 5.667 1.167 -0.047) 5.786 8.944 ( 2.714 -0.170 -1.306) 3.017 9.266 ( -2.499 8.265 5.372) 10.169 9.549 ( -3.748 -3.548 3.292) 6.122 10.125 ( 2.413 14.140 1.626) 14.436 10.506 ( 1.248 -3.887 7.289) 8.354 10.865 ( -9.277 7.040 4.028) 12.323 11.235 ( -4.890 -9.735 -2.718) 11.228 11.907 ( -8.418 -3.186 2.998) 9.487 12.094 ( -10.970 -10.933 3.634) 15.908 15.303 ( -4.016 9.606 -20.637) 23.115 15.699 ( -3.919 -7.988 -18.318) 20.365 16.644 ( 25.074 13.137 11.355) 30.499 17.088 ( 19.508 -7.334 8.857) 22.645 18.739 ( -11.486 2.901 -0.104) 11.847 18.822 ( -12.131 -1.599 -2.766) 12.545 ======================= Grid point 318 (170/260) ======================= q-point: (-0.10 0.38 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -4.887 14.446 6.669) 16.645 1.986 ( -8.243 11.863 11.570) 18.508 2.155 ( 3.208 -4.083 -2.567) 5.792 2.304 ( -2.726 -3.771 7.968) 9.227 2.582 ( 4.347 1.650 5.332) 7.075 2.886 ( -0.345 -1.662 5.009) 5.289 2.965 ( 0.536 2.805 7.348) 7.884 3.268 ( 2.251 -3.348 12.123) 12.777 3.662 ( 2.433 17.383 14.486) 22.758 3.866 ( -3.913 -1.252 0.725) 4.172 4.257 ( -7.840 -6.082 4.878) 11.057 4.647 ( -1.176 -8.631 0.103) 8.712 4.857 ( 10.503 -9.808 1.441) 14.443 4.876 ( 15.329 4.011 -8.566) 18.013 5.239 ( -0.746 9.802 -7.401) 12.304 5.316 ( -1.062 13.354 -0.952) 13.430 5.525 ( 0.726 -5.073 -5.486) 7.507 6.015 ( -7.602 4.874 -3.694) 9.757 6.260 ( 1.286 -10.821 -5.457) 12.188 6.360 ( -11.222 -19.684 1.990) 22.746 7.066 ( -5.702 -0.213 -1.862) 6.002 7.136 ( 2.457 -1.941 -4.883) 5.800 7.884 ( -0.618 3.776 -7.860) 8.741 8.014 ( 0.575 -0.918 -0.321) 1.130 8.349 ( 0.807 6.573 -2.166) 6.968 8.581 ( 2.878 -3.669 -4.068) 6.188 8.992 ( 5.422 -0.084 -2.136) 5.828 9.022 ( 6.830 -1.382 -0.208) 6.972 9.284 ( -0.547 7.073 4.250) 8.269 9.497 ( -5.628 -1.136 2.680) 6.336 10.254 ( 9.198 11.486 3.792) 15.196 10.545 ( -5.013 -2.094 5.381) 7.647 10.779 ( -5.893 4.188 8.718) 11.326 11.149 ( -6.427 -11.491 5.593) 14.305 11.803 ( -4.759 -1.541 -1.050) 5.111 11.942 ( -8.008 -8.015 0.761) 11.355 15.051 ( -3.766 9.074 -18.984) 21.376 15.448 ( -3.312 -10.004 -20.833) 23.347 17.162 ( 21.915 9.618 9.127) 25.613 17.445 ( 12.841 -3.660 6.078) 14.670 18.540 ( -10.182 2.306 -0.563) 10.455 18.594 ( -10.753 -0.643 -1.702) 10.906 ======================= Grid point 319 (171/260) ======================= q-point: ( 0.00 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.052 -8.140 -3.436) 9.721 1.948 ( 4.052 8.140 -3.436) 9.721 2.278 ( 2.339 -1.560 11.308) 11.652 2.278 ( 2.339 1.560 11.308) 11.652 2.863 ( 5.730 -4.753 1.111) 7.528 2.863 ( 5.730 4.753 1.111) 7.528 3.218 ( -2.315 -9.648 12.028) 15.592 3.218 ( -2.315 9.648 12.028) 15.592 3.987 ( 4.309 -5.918 12.646) 14.613 3.987 ( 4.309 5.918 12.646) 14.613 4.311 ( -2.367 -17.792 1.540) 18.015 4.311 ( -2.367 17.792 1.540) 18.015 4.999 ( 10.886 -5.469 -3.721) 12.738 4.999 ( 10.886 5.469 -3.721) 12.738 5.360 ( 2.179 -7.180 -4.643) 8.823 5.360 ( 2.179 7.180 -4.643) 8.823 5.729 ( -0.646 -21.353 -2.675) 21.530 5.729 ( -0.646 21.353 -2.675) 21.530 5.954 ( -9.750 -9.184 -5.220) 14.375 5.954 ( -9.750 9.184 -5.220) 14.375 7.028 ( -2.591 -4.743 -3.408) 6.389 7.028 ( -2.591 4.743 -3.408) 6.389 7.894 ( -3.970 -3.391 -5.416) 7.523 7.894 ( -3.970 3.391 -5.416) 7.523 8.469 ( 0.521 -4.847 -3.049) 5.750 8.469 ( 0.521 4.847 -3.049) 5.750 9.101 ( 5.677 -0.863 -0.163) 5.744 9.101 ( 5.677 0.863 -0.163) 5.744 9.398 ( -4.152 -2.933 2.713) 5.762 9.398 ( -4.152 2.933 2.713) 5.762 10.495 ( -2.045 -4.351 6.127) 7.788 10.495 ( -2.045 4.351 6.127) 7.788 10.924 ( -1.217 -8.500 9.074) 12.493 10.924 ( -1.217 8.500 9.074) 12.493 11.763 ( 0.552 -3.576 -3.130) 4.784 11.763 ( 0.552 3.576 -3.130) 4.784 15.004 ( -3.443 -8.742 -17.733) 20.068 15.004 ( -3.443 8.742 -17.733) 20.068 17.576 ( 2.775 -2.360 4.827) 6.047 17.576 ( 2.775 2.360 4.827) 6.047 18.460 ( -0.058 -1.026 -1.114) 1.515 18.460 ( -0.058 1.026 -1.114) 1.515 ======================= Grid point 321 (172/260) ======================= q-point: ( 0.10 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 11.302 -2.558 -1.867) 11.737 2.067 ( 11.302 2.558 -1.867) 11.737 2.427 ( 5.328 -6.517 5.478) 10.044 2.427 ( 5.328 6.517 5.478) 10.044 2.940 ( 5.369 -6.962 -1.492) 8.917 2.940 ( 5.369 6.962 -1.492) 8.917 3.304 ( -3.183 -7.100 14.887) 16.798 3.304 ( -3.183 7.100 14.887) 16.798 4.194 ( 7.631 -8.331 7.492) 13.556 4.194 ( 7.631 8.331 7.492) 13.556 4.264 ( -2.417 -16.233 -2.510) 16.603 4.264 ( -2.417 16.233 -2.510) 16.603 5.079 ( 2.522 -6.632 -5.586) 9.030 5.079 ( 2.522 6.632 -5.585) 9.030 5.396 ( -0.207 -3.667 1.778) 4.081 5.396 ( -0.207 3.667 1.778) 4.081 5.675 ( -1.798 -7.284 -7.356) 10.507 5.675 ( -1.798 7.284 -7.356) 10.507 5.834 ( 4.672 -4.395 0.440) 6.429 5.834 ( 4.672 4.395 0.440) 6.429 6.945 ( -3.691 -6.399 -2.505) 7.801 6.945 ( -3.691 6.399 -2.505) 7.801 7.753 ( -6.420 -0.912 -4.341) 7.803 7.753 ( -6.420 0.912 -4.341) 7.803 8.448 ( -0.131 -2.228 -1.886) 2.922 8.448 ( -0.131 2.228 -1.886) 2.922 9.125 ( -4.458 -3.230 -0.684) 5.548 9.125 ( -4.458 3.230 -0.684) 5.548 9.368 ( 0.097 -4.105 1.959) 4.549 9.368 ( 0.097 4.105 1.959) 4.549 10.492 ( -5.361 -12.883 7.356) 15.773 10.492 ( -5.361 12.883 7.356) 15.773 11.046 ( 6.504 -8.882 6.247) 12.658 11.046 ( 6.504 8.882 6.247) 12.658 11.788 ( 5.367 -5.659 -2.609) 8.224 11.788 ( 5.367 5.659 -2.609) 8.224 14.802 ( -3.540 -7.860 -12.601) 15.267 14.802 ( -3.540 7.860 -12.601) 15.267 17.529 ( -10.224 -1.662 2.509) 10.657 17.529 ( -10.224 1.662 2.509) 10.657 18.554 ( 10.355 -1.674 -1.018) 10.538 18.554 ( 10.355 1.674 -1.018) 10.538 ======================= Grid point 323 (173/260) ======================= q-point: ( 0.20 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.687 -6.806 -0.635) 7.766 2.204 ( 3.687 6.806 -0.635) 7.766 2.589 ( 11.030 -7.541 0.630) 13.376 2.589 ( 11.030 7.541 0.630) 13.376 3.038 ( 5.903 -7.753 -1.356) 9.838 3.038 ( 5.903 7.753 -1.356) 9.838 3.374 ( -2.177 -2.073 11.982) 12.353 3.374 ( -2.177 2.073 11.982) 12.353 4.144 ( -2.499 -14.330 -10.481) 17.929 4.144 ( -2.499 14.330 -10.481) 17.929 4.382 ( 3.839 -3.116 4.500) 6.686 4.382 ( 3.839 3.116 4.500) 6.686 5.027 ( -2.307 -10.267 -1.606) 10.645 5.027 ( -2.307 10.267 -1.606) 10.645 5.304 ( -5.061 -6.617 -5.036) 9.735 5.304 ( -5.061 6.617 -5.036) 9.735 5.631 ( 4.589 -9.077 -7.515) 12.646 5.631 ( 4.589 9.077 -7.515) 12.646 6.086 ( 14.547 -6.846 10.478) 19.191 6.086 ( 14.547 6.846 10.478) 19.191 6.857 ( -4.652 -7.682 -1.008) 9.037 6.857 ( -4.652 7.682 -1.008) 9.037 7.612 ( -6.296 -5.427 -1.680) 8.480 7.612 ( -6.296 5.427 -1.680) 8.480 8.429 ( -0.715 -1.957 -1.071) 2.343 8.429 ( -0.715 1.957 -1.071) 2.343 8.968 ( -10.791 -4.577 -0.380) 11.728 8.968 ( -10.791 4.577 -0.380) 11.728 9.418 ( 2.539 -4.964 1.115) 5.686 9.418 ( 2.539 4.964 1.115) 5.686 10.452 ( -6.452 -15.454 6.413) 17.932 10.452 ( -6.452 15.454 6.413) 17.932 11.231 ( 9.955 -10.444 1.375) 14.494 11.231 ( 9.955 10.444 1.375) 14.494 11.891 ( 7.458 -8.498 0.282) 11.310 11.891 ( 7.458 8.498 0.282) 11.310 14.664 ( -2.176 -6.958 -5.602) 9.194 14.664 ( -2.176 6.958 -5.602) 9.194 17.331 ( -13.120 -4.551 0.136) 13.888 17.331 ( -13.120 4.551 0.136) 13.888 18.742 ( 11.541 -2.748 -0.842) 11.893 18.742 ( 11.541 2.748 -0.842) 11.893 ======================= Grid point 325 (174/260) ======================= q-point: ( 0.30 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -1.962 -6.861 -2.800) 7.666 2.193 ( -1.962 6.861 -2.800) 7.666 2.763 ( 7.291 -3.456 -1.546) 8.215 2.763 ( 7.291 3.456 -1.546) 8.215 3.064 ( -5.344 -7.475 4.981) 10.452 3.064 ( -5.344 7.475 4.981) 10.452 3.464 ( 7.489 -2.905 -2.972) 8.565 3.464 ( 7.489 2.905 -2.972) 8.565 3.979 ( -7.295 -6.470 -8.805) 13.138 3.979 ( -7.295 6.470 -8.805) 13.138 4.407 ( 1.973 -3.285 -2.451) 4.548 4.407 ( 1.973 3.285 -2.451) 4.548 4.990 ( -1.781 -15.205 -4.660) 16.002 4.990 ( -1.781 15.205 -4.660) 16.002 5.255 ( 2.120 -2.336 4.848) 5.784 5.255 ( 2.120 2.336 4.848) 5.784 5.674 ( 8.177 -5.202 -7.199) 12.073 5.674 ( 8.177 5.202 -7.199) 12.073 6.425 ( 11.172 -5.373 10.641) 16.337 6.425 ( 11.172 5.373 10.641) 16.337 6.767 ( -4.766 -9.977 0.077) 11.057 6.767 ( -4.766 9.977 0.077) 11.057 7.517 ( -4.431 -7.887 1.497) 9.169 7.517 ( -4.431 7.887 1.497) 9.169 8.393 ( -2.229 -2.503 -1.885) 3.845 8.393 ( -2.229 2.503 -1.885) 3.845 8.811 ( -7.297 -2.018 2.551) 7.989 8.811 ( -7.297 2.018 2.551) 7.989 9.456 ( 0.899 -6.028 0.700) 6.134 9.456 ( 0.899 6.028 0.700) 6.134 10.394 ( -5.852 -14.376 4.364) 16.123 10.394 ( -5.852 14.376 4.364) 16.123 11.383 ( 8.439 -10.862 -3.884) 14.293 11.383 ( 8.439 10.862 -3.884) 14.293 12.032 ( 6.287 -9.912 3.259) 12.182 12.032 ( 6.287 9.912 3.259) 12.182 14.647 ( 2.392 -7.882 2.714) 8.672 14.647 ( 2.392 7.882 2.714) 8.672 17.094 ( -12.659 -7.090 -3.265) 14.872 17.094 ( -12.659 7.090 -3.265) 14.872 18.919 ( 9.321 -3.494 -0.338) 9.960 18.919 ( 9.321 3.494 -0.338) 9.960 ======================= Grid point 327 (175/260) ======================= q-point: (-0.60 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -3.591 -3.777 -5.137) 7.318 2.106 ( -3.591 3.777 -5.137) 7.318 2.746 ( -8.849 -5.187 -2.857) 10.648 2.746 ( -8.849 5.187 -2.857) 10.648 2.988 ( -2.915 -5.565 1.073) 6.373 2.988 ( -2.915 5.565 1.073) 6.373 3.547 ( 0.961 -5.075 -5.991) 7.910 3.547 ( 0.961 5.075 -5.991) 7.910 3.762 ( -2.587 -4.382 -5.824) 7.734 3.762 ( -2.587 4.382 -5.824) 7.734 4.456 ( 4.941 -4.244 -6.428) 9.151 4.456 ( 4.941 4.244 -6.428) 9.151 4.904 ( -0.004 -6.125 -4.562) 7.637 4.904 ( -0.004 6.125 -4.562) 7.637 5.397 ( 2.873 -5.242 10.815) 12.357 5.397 ( 2.873 5.242 10.815) 12.357 5.777 ( 11.494 -6.604 -7.652) 15.306 5.777 ( 11.494 6.604 -7.652) 15.306 6.529 ( -9.535 -5.986 6.921) 13.215 6.529 ( -9.535 5.986 6.921) 13.215 6.796 ( 8.377 -4.403 1.011) 9.518 6.796 ( 8.377 4.403 1.011) 9.518 7.494 ( -1.516 -7.569 4.715) 9.045 7.494 ( -1.516 7.569 4.715) 9.045 8.326 ( -1.752 -4.096 -3.584) 5.718 8.326 ( -1.752 4.096 -3.584) 5.718 8.779 ( -1.725 -2.638 6.172) 6.930 8.779 ( -1.725 2.638 6.172) 6.930 9.466 ( -0.756 -7.673 1.555) 7.866 9.466 ( -0.756 7.673 1.555) 7.866 10.336 ( -4.415 -11.460 2.532) 12.539 10.336 ( -4.415 11.460 2.532) 12.539 11.444 ( 4.676 -9.755 -7.358) 13.083 11.444 ( 4.676 9.755 -7.358) 13.083 12.141 ( 1.854 -8.693 4.223) 9.841 12.141 ( 1.854 8.693 4.223) 9.841 14.812 ( 9.690 -10.939 10.717) 18.122 14.812 ( 9.690 10.939 10.717) 18.122 16.836 ( -11.409 -9.098 -7.742) 16.519 16.836 ( -11.409 9.098 -7.742) 16.519 19.049 ( 5.755 -3.832 0.124) 6.915 19.049 ( 5.755 3.832 0.124) 6.915 ======================= Grid point 329 (176/260) ======================= q-point: (-0.50 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -3.386 -3.237 -4.724) 6.653 1.993 ( -3.386 3.237 -4.724) 6.653 2.468 ( -15.674 -2.610 -5.182) 16.713 2.468 ( -15.674 2.610 -5.182) 16.713 2.981 ( -1.772 -0.795 -0.624) 2.040 2.981 ( -1.772 0.795 -0.624) 2.040 3.347 ( -10.026 -7.415 -2.329) 12.685 3.347 ( -10.026 7.415 -2.329) 12.685 3.859 ( 9.624 -3.544 -2.181) 10.485 3.859 ( 9.624 3.544 -2.181) 10.485 4.390 ( -0.675 -7.648 -11.672) 13.971 4.390 ( -0.675 7.648 -11.672) 13.971 4.924 ( 1.939 -6.920 -0.504) 7.204 4.924 ( 1.939 6.920 -0.504) 7.204 5.508 ( 0.942 -4.046 5.797) 7.132 5.508 ( 0.942 4.046 5.797) 7.132 5.913 ( 10.892 -9.747 -6.066) 15.825 5.913 ( 10.892 9.747 -6.066) 15.825 6.384 ( -12.713 -14.708 7.686) 20.905 6.384 ( -12.713 14.708 7.686) 20.905 6.940 ( 7.175 -3.906 -0.861) 8.215 6.940 ( 7.175 3.906 -0.861) 8.215 7.547 ( 1.642 -5.406 6.036) 8.268 7.547 ( 1.642 5.406 6.036) 8.268 8.292 ( 2.409 -3.804 -4.465) 6.341 8.292 ( 2.409 3.804 -4.465) 6.341 8.832 ( 0.035 -3.008 6.781) 7.418 8.832 ( 0.035 3.008 6.781) 7.418 9.466 ( -1.951 -9.008 3.754) 9.952 9.466 ( -1.951 9.008 3.754) 9.952 10.293 ( -2.549 -7.098 1.387) 7.668 10.293 ( -2.549 7.098 1.387) 7.668 11.415 ( 0.652 -8.798 -8.431) 12.203 11.415 ( 0.652 8.798 -8.431) 12.203 12.167 ( -3.232 -6.126 4.376) 8.193 12.167 ( -3.232 6.126 4.376) 8.193 15.165 ( 16.156 -13.542 15.819) 26.356 15.165 ( 16.156 13.542 15.819) 26.356 16.562 ( -9.297 -10.321 -12.578) 18.739 16.562 ( -9.297 10.321 -12.578) 18.739 19.113 ( 1.254 -3.807 0.147) 4.011 19.113 ( 1.254 3.807 0.147) 4.011 ======================= Grid point 331 (177/260) ======================= q-point: (-0.40 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -1.814 -3.567 1.145) 4.162 1.930 ( -1.814 3.567 1.145) 4.162 2.185 ( -11.051 -2.197 -3.377) 11.763 2.185 ( -11.051 2.197 -3.377) 11.763 2.839 ( -10.902 -3.643 -1.608) 11.607 2.839 ( -10.902 3.643 -1.608) 11.607 3.282 ( -0.935 -11.257 2.691) 11.612 3.282 ( -0.935 11.257 2.691) 11.612 3.916 ( -0.846 -10.875 -3.252) 11.383 3.916 ( -0.846 10.875 -3.252) 11.383 4.342 ( 7.860 -3.597 -8.378) 12.038 4.342 ( 7.860 3.597 -8.378) 12.038 4.874 ( -7.133 -6.826 -1.620) 10.005 4.874 ( -7.133 6.826 -1.620) 10.005 5.542 ( 0.887 -3.210 -1.319) 3.582 5.542 ( 0.887 3.210 -1.319) 3.582 6.007 ( 3.870 -15.743 -3.077) 16.501 6.007 ( 3.870 15.743 -3.077) 16.501 6.281 ( -6.969 -15.038 8.091) 18.444 6.281 ( -6.969 15.038 8.091) 18.444 7.032 ( 5.245 -4.623 -1.823) 7.226 7.032 ( 5.245 4.623 -1.823) 7.226 7.652 ( 4.419 -3.943 5.160) 7.855 7.652 ( 4.419 3.943 5.160) 7.855 8.325 ( 6.355 -2.951 -5.110) 8.672 8.325 ( 6.355 2.951 -5.110) 8.672 8.883 ( -0.412 -2.310 4.583) 5.149 8.883 ( -0.412 2.310 4.583) 5.149 9.467 ( -3.134 -9.019 5.650) 11.094 9.467 ( -3.134 9.019 5.650) 11.094 10.279 ( -0.517 -3.209 1.590) 3.618 10.279 ( -0.517 3.209 1.590) 3.618 11.319 ( -3.184 -8.647 -7.266) 11.734 11.319 ( -3.184 8.647 -7.266) 11.734 12.122 ( -6.561 -4.978 4.561) 9.414 12.122 ( -6.561 4.978 4.561) 9.414 15.606 ( 15.833 -12.938 14.178) 24.882 15.606 ( 15.833 12.938 14.178) 24.882 16.315 ( -2.560 -10.140 -14.070) 17.531 16.315 ( -2.560 10.140 -14.070) 17.531 19.091 ( -3.785 -3.422 -0.320) 5.113 19.091 ( -3.785 3.422 -0.320) 5.113 ======================= Grid point 333 (178/260) ======================= q-point: (-0.30 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -5.856 -1.455 6.865) 9.140 1.909 ( -5.856 1.455 6.865) 9.140 2.093 ( 0.571 -7.492 3.815) 8.427 2.093 ( 0.571 7.492 3.815) 8.427 2.681 ( -6.470 -6.253 2.968) 9.475 2.681 ( -6.470 6.253 2.968) 9.475 3.227 ( -7.461 -5.481 -1.525) 9.382 3.227 ( -7.461 5.481 -1.525) 9.382 3.873 ( -0.370 -10.686 0.873) 10.728 3.873 ( -0.370 10.686 0.873) 10.728 4.436 ( 4.968 -2.598 -2.874) 6.300 4.436 ( 4.968 2.598 -2.874) 6.300 4.699 ( -5.825 -5.460 -4.966) 9.402 4.699 ( -5.825 5.460 -4.966) 9.402 5.522 ( 0.339 -1.355 -4.960) 5.153 5.522 ( 0.339 1.355 -4.960) 5.153 5.979 ( -4.484 -25.218 -0.370) 25.616 5.979 ( -4.484 25.218 -0.370) 25.616 6.276 ( -1.770 -7.460 4.285) 8.784 6.276 ( -1.770 7.460 4.285) 8.784 7.090 ( 3.796 -3.688 -2.441) 5.829 7.090 ( 3.796 3.688 -2.441) 5.829 7.787 ( 6.270 -3.556 3.503) 8.014 7.787 ( 6.270 3.556 3.503) 8.014 8.402 ( 7.597 -2.989 -5.414) 9.796 8.402 ( 7.597 2.989 -5.414) 9.796 8.905 ( 0.069 -1.954 1.488) 2.457 8.905 ( 0.069 1.954 1.488) 2.457 9.456 ( -4.141 -8.018 5.464) 10.550 9.456 ( -4.141 8.018 5.464) 10.550 10.307 ( 1.050 -6.385 3.438) 7.327 10.307 ( 1.050 6.385 3.438) 7.327 11.181 ( -6.449 -8.762 -3.956) 11.577 11.181 ( -6.449 8.762 -3.956) 11.577 12.034 ( -8.012 -5.390 3.973) 10.442 12.034 ( -8.012 5.390 3.973) 10.442 15.742 ( -2.902 -8.721 -11.177) 14.471 15.742 ( -2.902 8.721 -11.177) 14.471 16.423 ( 20.074 -11.598 6.279) 24.019 16.423 ( 20.074 11.598 6.279) 24.019 18.977 ( -8.562 -2.689 -0.950) 9.025 18.977 ( -8.562 2.689 -0.950) 9.025 ======================= Grid point 335 (179/260) ======================= q-point: (-0.20 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -2.661 -3.608 8.650) 9.743 1.903 ( -2.661 3.608 8.650) 9.743 2.168 ( -1.018 -6.551 8.364) 10.673 2.168 ( -1.018 6.551 8.364) 10.673 2.674 ( -1.288 -8.029 6.248) 10.255 2.674 ( -1.288 8.029 6.248) 10.255 3.082 ( -4.320 -4.022 0.815) 5.959 3.082 ( -4.320 4.022 0.815) 5.959 3.887 ( -2.081 -7.928 2.881) 8.688 3.887 ( -2.081 7.928 2.881) 8.688 4.374 ( -9.514 -4.635 6.775) 12.566 4.374 ( -9.514 4.635 6.775) 12.566 4.707 ( 12.031 -3.572 -10.369) 16.279 4.707 ( 12.031 3.572 -10.369) 16.279 5.468 ( -0.149 -3.890 -6.705) 7.754 5.468 ( -0.149 3.890 -6.705) 7.754 5.879 ( -5.566 -27.381 -1.185) 27.966 5.879 ( -5.566 27.381 -1.185) 27.966 6.256 ( -4.247 -4.890 1.480) 6.644 6.256 ( -4.247 4.890 1.480) 6.644 7.113 ( 1.702 -1.331 -3.166) 3.833 7.113 ( 1.702 1.331 -3.166) 3.833 7.915 ( 5.522 -2.299 0.756) 6.029 7.915 ( 5.522 2.299 0.756) 6.029 8.466 ( 4.974 -4.273 -4.962) 8.224 8.466 ( 4.974 4.273 -4.962) 8.224 8.930 ( 3.203 -1.051 -1.252) 3.595 8.930 ( 3.203 1.051 -1.252) 3.595 9.433 ( -3.621 -7.067 4.796) 9.277 9.433 ( -3.621 7.067 4.796) 9.277 10.373 ( 1.556 -8.953 5.351) 10.546 10.373 ( 1.556 8.953 5.351) 10.546 11.036 ( -8.401 -8.863 1.002) 12.253 11.036 ( -8.401 8.863 1.002) 12.253 11.925 ( -7.584 -4.770 1.952) 9.170 11.925 ( -7.584 4.770 1.952) 9.170 15.506 ( -4.807 -9.528 -20.037) 22.702 15.506 ( -4.807 9.528 -20.037) 22.702 16.898 ( 22.755 -10.535 10.220) 27.078 16.898 ( 22.755 10.535 10.220) 27.078 18.788 ( -11.686 -1.798 -1.309) 11.896 18.788 ( -11.686 1.798 -1.309) 11.896 ======================= Grid point 337 (180/260) ======================= q-point: (-0.10 -0.50 0.30) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -0.315 -12.415 2.608) 12.690 1.945 ( -0.315 12.415 2.608) 12.690 2.188 ( -4.680 -7.263 10.658) 13.721 2.188 ( -4.680 7.263 10.658) 13.721 2.731 ( 4.749 -9.118 3.096) 10.737 2.731 ( 4.749 9.118 3.096) 10.737 3.138 ( 0.715 -8.635 10.623) 13.709 3.138 ( 0.715 8.635 10.623) 13.709 3.868 ( -1.915 -3.590 6.066) 7.304 3.868 ( -1.915 3.590 6.066) 7.304 4.326 ( -5.089 -15.267 8.256) 18.087 4.326 ( -5.089 15.267 8.256) 18.087 4.840 ( 12.949 -3.629 -8.074) 15.686 4.840 ( 12.949 3.629 -8.074) 15.686 5.402 ( 0.431 -6.332 -7.604) 9.905 5.402 ( 0.431 6.332 -7.604) 9.905 5.784 ( -3.202 -25.302 -2.349) 25.612 5.784 ( -3.202 25.302 -2.349) 25.612 6.148 ( -8.304 -6.849 -1.448) 10.861 6.148 ( -8.304 6.849 -1.448) 10.861 7.090 ( -0.704 -2.044 -3.561) 4.166 7.090 ( -0.704 2.044 -3.561) 4.166 7.964 ( 1.029 -3.448 -3.223) 4.830 7.964 ( 1.029 3.448 -3.223) 4.830 8.482 ( 1.956 -5.607 -4.037) 7.181 8.482 ( 1.956 5.608 -4.037) 7.181 8.999 ( 6.115 -0.736 -1.479) 6.335 8.999 ( 6.115 0.736 -1.479) 6.335 9.423 ( -2.704 -5.492 4.198) 7.423 9.423 ( -2.704 5.492 4.198) 7.423 10.448 ( 0.879 -6.874 5.726) 8.990 10.448 ( 0.879 6.874 5.726) 8.990 10.929 ( -7.405 -9.210 6.533) 13.503 10.929 ( -7.405 9.210 6.533) 13.503 11.820 ( -4.623 -3.321 -1.020) 5.783 11.820 ( -4.623 3.321 -1.020) 5.783 15.243 ( -3.710 -9.262 -20.547) 22.841 15.243 ( -3.710 9.262 -20.547) 22.841 17.335 ( 17.076 -6.691 7.704) 19.893 17.335 ( 17.076 6.691 7.704) 19.893 18.576 ( -10.449 -1.163 -1.278) 10.591 18.576 ( -10.449 1.163 -1.278) 10.591 ======================= Grid point 369 (181/260) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 8.069 0.000 11.889) 14.368 1.707 ( -2.367 0.000 14.030) 14.229 1.910 ( -6.460 0.000 8.396) 10.593 2.274 ( 12.981 0.000 -6.659) 14.589 3.071 ( -0.848 0.000 -0.017) 0.848 3.085 ( -5.507 0.000 -0.011) 5.507 3.288 ( -1.087 0.000 14.535) 14.576 3.352 ( -1.907 0.000 -0.589) 1.996 3.734 ( 18.811 0.000 4.691) 19.387 3.921 ( 7.651 0.000 2.729) 8.123 4.053 ( 6.383 0.000 -2.069) 6.710 4.374 ( -12.134 0.000 -10.377) 15.966 4.719 ( -13.406 0.000 -2.773) 13.690 4.808 ( 7.075 0.000 6.025) 9.293 4.887 ( -6.632 0.000 6.972) 9.623 5.416 ( 14.355 0.000 -9.349) 17.131 6.275 ( -4.069 0.000 2.765) 4.919 6.520 ( -0.531 0.000 -4.841) 4.870 6.692 ( 7.851 0.000 6.235) 10.026 6.739 ( 5.129 0.000 7.225) 8.861 6.938 ( -4.059 0.000 3.215) 5.178 7.139 ( 2.249 0.000 -11.301) 11.523 7.418 ( -7.143 0.000 -3.309) 7.872 7.493 ( -14.481 0.000 -7.054) 16.108 8.456 ( 7.488 0.000 0.643) 7.515 8.484 ( -5.937 0.000 -1.264) 6.070 8.862 ( -11.965 0.000 1.800) 12.099 8.980 ( 7.616 0.000 -3.481) 8.374 9.245 ( 7.520 0.000 -0.312) 7.527 9.245 ( -0.796 0.000 -0.612) 1.004 10.082 ( 14.333 0.000 4.211) 14.939 10.277 ( -12.232 0.000 -4.926) 13.186 11.285 ( 10.543 0.000 11.912) 15.908 11.650 ( -7.478 0.000 -6.823) 10.123 11.986 ( 16.891 0.000 2.728) 17.110 12.122 ( -29.959 0.000 -3.694) 30.186 14.661 ( -4.024 0.000 18.412) 18.847 15.417 ( 5.516 0.000 -20.153) 20.895 17.242 ( 18.699 0.000 3.060) 18.948 17.337 ( -15.375 0.000 -2.288) 15.544 18.422 ( 2.037 0.000 2.370) 3.125 18.484 ( -0.435 0.000 -0.854) 0.958 ======================= Grid point 370 (182/260) ======================= q-point: ( 0.10 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.153 0.000 -4.048) 4.051 1.951 ( 6.004 0.000 8.661) 10.539 1.961 ( 11.351 0.000 7.248) 13.468 2.463 ( 15.989 0.000 -8.493) 18.105 2.976 ( -5.291 0.000 2.056) 5.676 3.120 ( 4.392 0.000 -1.216) 4.557 3.350 ( 1.345 0.000 4.378) 4.580 3.424 ( 6.915 0.000 4.331) 8.160 3.922 ( -4.661 0.000 -17.540) 18.149 4.025 ( 9.707 0.000 -2.509) 10.026 4.097 ( -2.434 0.000 -9.134) 9.453 4.225 ( 8.547 0.000 9.711) 12.937 4.455 ( -15.873 0.000 1.668) 15.961 4.761 ( -11.982 0.000 15.985) 19.977 5.031 ( 11.169 0.000 -5.789) 12.580 5.592 ( 15.236 0.000 -9.652) 18.036 6.221 ( -4.977 0.000 7.555) 9.047 6.449 ( -2.230 0.000 -3.089) 3.810 6.742 ( -4.509 0.000 -4.835) 6.611 6.783 ( -12.261 0.000 -7.765) 14.513 6.849 ( -2.879 0.000 6.160) 6.800 7.123 ( 2.615 0.000 -5.866) 6.423 7.340 ( -0.526 0.000 7.741) 7.759 7.386 ( 3.286 0.000 8.963) 9.546 8.357 ( -7.559 0.000 -1.309) 7.671 8.586 ( 6.799 0.000 0.151) 6.801 8.691 ( -9.961 0.000 3.579) 10.584 9.073 ( 4.938 0.000 -2.161) 5.390 9.196 ( -2.999 0.000 -3.165) 4.360 9.355 ( 6.964 0.000 -1.933) 7.227 10.009 ( -12.214 0.000 -6.485) 13.829 10.336 ( 10.522 0.000 4.518) 11.451 11.475 ( -3.553 0.000 -9.741) 10.369 11.597 ( 13.214 0.000 10.433) 16.837 11.658 ( -22.348 0.000 0.809) 22.363 12.354 ( 18.937 0.000 8.652) 20.820 14.771 ( -3.026 0.000 18.460) 18.706 15.326 ( 5.924 0.000 -20.694) 21.525 16.953 ( -24.406 0.000 -3.943) 24.722 17.430 ( 1.091 0.000 2.670) 2.884 18.532 ( 7.476 0.000 1.738) 7.676 18.576 ( 12.109 0.000 -3.193) 12.523 ======================= Grid point 371 (183/260) ======================= q-point: ( 0.20 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.583 0.000 -10.321) 10.441 2.167 ( 10.983 0.000 0.265) 10.986 2.205 ( 10.917 0.000 1.983) 11.095 2.607 ( 5.926 0.000 -5.771) 8.272 2.936 ( -4.293 0.000 4.822) 6.456 3.136 ( -1.846 0.000 -6.395) 6.656 3.356 ( 2.299 0.000 -11.195) 11.429 3.607 ( 10.793 0.000 0.558) 10.808 3.750 ( 3.263 0.000 -8.810) 9.395 4.014 ( -4.463 0.000 -8.312) 9.435 4.023 ( -0.499 0.000 0.216) 0.544 4.261 ( -3.684 0.000 -2.933) 4.709 4.420 ( 2.598 0.000 11.012) 11.315 4.799 ( 1.807 0.000 10.755) 10.905 5.116 ( 5.741 0.000 -5.272) 7.795 5.741 ( 14.444 0.000 -13.435) 19.726 6.300 ( 0.943 0.000 16.653) 16.680 6.353 ( -7.933 0.000 -0.929) 7.987 6.375 ( -21.325 0.000 -9.708) 23.431 6.548 ( -7.542 0.000 -10.831) 13.198 6.834 ( -5.785 0.000 3.482) 6.752 7.130 ( 3.979 0.000 -1.788) 4.363 7.505 ( 5.086 0.000 13.311) 14.249 7.612 ( 6.589 0.000 15.500) 16.842 8.215 ( -7.675 0.000 0.961) 7.735 8.593 ( -5.498 0.000 3.416) 6.473 8.681 ( 3.896 0.000 -0.055) 3.896 9.068 ( -2.738 0.000 -3.638) 4.553 9.096 ( -4.011 0.000 -4.439) 5.983 9.466 ( 6.830 0.000 -1.495) 6.992 9.770 ( -6.119 0.000 -7.596) 9.754 10.529 ( 6.299 0.000 6.204) 8.842 11.339 ( -16.503 0.000 1.452) 16.567 11.353 ( 0.937 0.000 -11.770) 11.807 11.935 ( 15.223 0.000 9.152) 17.762 12.773 ( 17.005 0.000 13.541) 21.738 14.885 ( -3.640 0.000 16.920) 17.307 15.238 ( 6.107 0.000 -20.939) 21.811 16.479 ( -24.156 0.000 -4.575) 24.585 17.389 ( -7.136 0.000 2.371) 7.519 18.687 ( 7.937 0.000 2.156) 8.225 18.784 ( 15.126 0.000 -5.127) 15.972 ======================= Grid point 372 (184/260) ======================= q-point: ( 0.30 0.00 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 4.909 0.000 -9.368) 10.577 2.293 ( 6.827 0.000 -6.618) 9.509 2.326 ( 2.593 0.000 -2.888) 3.881 2.442 ( -13.930 0.000 -14.557) 20.148 2.883 ( -5.504 0.000 0.350) 5.515 3.057 ( 3.709 0.000 0.430) 3.734 3.385 ( 11.015 0.000 -16.682) 19.990 3.562 ( -13.533 0.000 -5.293) 14.531 3.648 ( -13.268 0.000 -0.748) 13.289 3.884 ( 5.541 0.000 -6.081) 8.227 4.233 ( 11.652 0.000 9.316) 14.918 4.318 ( 16.019 0.000 -3.852) 16.475 4.585 ( 8.299 0.000 7.086) 10.913 4.946 ( 4.344 0.000 6.557) 7.865 5.177 ( 4.838 0.000 -0.117) 4.839 5.853 ( 14.462 0.000 -15.629) 21.294 5.914 ( -22.204 0.000 -7.347) 23.388 6.144 ( -14.975 0.000 -1.050) 15.012 6.321 ( -4.726 0.000 -14.376) 15.133 6.506 ( 2.345 0.000 13.656) 13.856 6.717 ( -10.281 0.000 6.349) 12.083 7.218 ( 5.061 0.000 1.843) 5.386 7.701 ( 2.144 0.000 14.040) 14.203 7.851 ( 4.623 0.000 14.574) 15.289 8.154 ( -1.282 0.000 4.450) 4.631 8.550 ( -2.672 0.000 1.963) 3.315 8.700 ( -2.684 0.000 0.569) 2.743 8.943 ( -5.285 0.000 -5.172) 7.395 8.993 ( -3.055 0.000 -4.011) 5.042 9.450 ( -3.343 0.000 -7.791) 8.478 9.772 ( 10.281 0.000 -1.201) 10.351 10.668 ( 1.922 0.000 8.556) 8.769 11.089 ( -13.206 0.000 -1.412) 13.281 11.288 ( 4.484 0.000 -12.712) 13.480 12.293 ( 16.456 0.000 9.785) 19.145 13.153 ( 10.313 0.000 15.782) 18.853 14.895 ( -11.777 0.000 9.701) 15.258 15.149 ( 5.844 0.000 -20.954) 21.753 16.135 ( -10.493 0.000 1.183) 10.560 17.256 ( -9.400 0.000 0.417) 9.410 18.831 ( 5.654 0.000 3.074) 6.436 18.977 ( 12.880 0.000 -5.861) 14.151 ======================= Grid point 373 (185/260) ======================= q-point: ( 0.40 0.00 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 12.369 0.000 -6.626) 14.032 2.010 ( -12.406 0.000 -18.683) 22.427 2.284 ( 0.149 0.000 -8.051) 8.052 2.300 ( -5.057 0.000 0.593) 5.092 2.720 ( -9.324 0.000 -8.299) 12.482 3.010 ( -7.758 0.000 -16.269) 18.024 3.385 ( -9.907 0.000 -1.983) 10.103 3.385 ( -5.262 0.000 3.145) 6.130 3.470 ( 14.193 0.000 -1.775) 14.303 3.927 ( -2.123 0.000 3.377) 3.989 4.500 ( 17.829 0.000 -2.546) 18.010 4.663 ( 15.905 0.000 8.876) 18.214 4.819 ( 10.445 0.000 2.894) 10.838 5.060 ( 3.217 0.000 4.614) 5.625 5.223 ( -5.400 0.000 1.265) 5.547 5.553 ( -8.566 0.000 -1.008) 8.625 5.837 ( -18.590 0.000 -1.948) 18.692 5.930 ( 4.825 0.000 -10.103) 11.196 6.162 ( 9.148 0.000 -21.435) 23.305 6.366 ( -15.090 0.000 -6.879) 16.584 6.833 ( 1.871 0.000 21.061) 21.144 7.309 ( 3.281 0.000 1.651) 3.673 7.834 ( -1.098 0.000 14.006) 14.049 8.029 ( 2.424 0.000 10.307) 10.589 8.254 ( 5.776 0.000 6.978) 9.059 8.531 ( -0.639 0.000 0.206) 0.672 8.597 ( -9.149 0.000 1.570) 9.283 8.833 ( -1.766 0.000 -6.094) 6.345 8.923 ( -1.854 0.000 -1.910) 2.662 9.302 ( -3.004 0.000 -11.009) 11.411 9.990 ( 12.480 0.000 3.678) 13.011 10.745 ( -6.335 0.000 13.411) 14.832 10.850 ( -8.252 0.000 -7.974) 11.475 11.267 ( 6.555 0.000 -12.908) 14.477 12.686 ( 17.792 0.000 11.617) 21.248 13.379 ( -1.025 0.000 13.198) 13.237 14.659 ( -18.573 0.000 2.025) 18.683 15.052 ( 5.181 0.000 -20.649) 21.289 16.175 ( 6.734 0.000 10.360) 12.357 17.078 ( -9.964 0.000 -2.820) 10.355 18.929 ( 1.750 0.000 3.795) 4.179 19.113 ( 9.296 0.000 -6.338) 11.251 ======================= Grid point 374 (186/260) ======================= q-point: (-0.50 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -2.261 0.000 -10.995) 11.225 1.875 ( 14.997 0.000 -11.376) 18.823 2.150 ( -9.031 0.000 0.323) 9.036 2.204 ( -7.595 0.000 4.106) 8.634 2.504 ( -3.583 0.000 -6.923) 7.795 2.665 ( -10.775 0.000 -16.988) 20.117 3.312 ( 1.410 0.000 -0.065) 1.411 3.347 ( 1.049 0.000 -2.957) 3.137 3.759 ( 12.652 0.000 7.237) 14.576 3.857 ( -9.393 0.000 2.952) 9.846 4.742 ( -25.197 0.000 1.357) 25.233 4.792 ( 17.293 0.000 -0.418) 17.298 4.958 ( 9.368 0.000 5.925) 11.085 5.010 ( -3.004 0.000 1.747) 3.475 5.321 ( 12.758 0.000 5.669) 13.961 5.487 ( -18.357 0.000 -2.818) 18.572 5.626 ( 8.183 0.000 3.782) 9.015 5.786 ( -8.994 0.000 -6.417) 11.048 6.012 ( -15.266 0.000 -9.834) 18.159 6.294 ( 25.837 0.000 -22.414) 34.205 7.036 ( 1.154 0.000 16.106) 16.147 7.360 ( 2.189 0.000 -0.517) 2.249 7.943 ( -0.522 0.000 12.884) 12.895 8.121 ( 0.324 0.000 4.502) 4.514 8.442 ( 7.034 0.000 8.152) 10.768 8.458 ( -8.734 0.000 2.454) 9.072 8.542 ( 2.581 0.000 -0.673) 2.667 8.748 ( -1.123 0.000 -6.952) 7.042 8.891 ( -1.576 0.000 1.216) 1.990 9.155 ( -2.183 0.000 -10.630) 10.852 10.248 ( 11.137 0.000 7.099) 13.207 10.542 ( -16.340 0.000 -2.101) 16.475 10.809 ( -2.229 0.000 5.764) 6.180 11.269 ( 7.485 0.000 -13.051) 15.045 13.118 ( 18.844 0.000 13.101) 22.951 13.319 ( -15.334 0.000 4.152) 15.886 14.425 ( -11.227 0.000 6.824) 13.138 14.948 ( 4.431 0.000 -19.396) 19.896 16.468 ( 13.185 0.000 12.329) 18.051 16.862 ( -9.997 0.000 -6.799) 12.090 18.956 ( -2.795 0.000 4.037) 4.910 19.176 ( 5.075 0.000 -7.049) 8.686 ======================= Grid point 375 (187/260) ======================= q-point: (-0.40 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -3.893 0.000 -4.600) 6.026 1.828 ( -2.643 0.000 -7.964) 8.391 2.175 ( -0.833 0.000 5.676) 5.737 2.188 ( 4.562 0.000 4.329) 6.289 2.414 ( -2.381 0.000 -5.709) 6.186 2.521 ( 7.767 0.000 3.515) 8.525 3.366 ( 1.256 0.000 -1.082) 1.658 3.370 ( 4.606 0.000 -3.057) 5.528 3.670 ( -10.505 0.000 -1.884) 10.672 3.959 ( 2.445 0.000 3.992) 4.681 4.261 ( -31.639 0.000 7.935) 32.619 4.959 ( -4.523 0.000 -1.673) 4.823 4.991 ( -3.683 0.000 -1.580) 4.007 5.126 ( 11.661 0.000 5.930) 13.083 5.255 ( -0.271 0.000 -3.891) 3.901 5.485 ( -8.490 0.000 3.923) 9.353 5.562 ( -10.106 0.000 -5.273) 11.399 5.739 ( 6.840 0.000 -1.659) 7.038 5.867 ( 9.463 0.000 0.114) 9.464 6.562 ( 25.317 0.000 -17.612) 30.840 7.163 ( -0.569 0.000 10.144) 10.160 7.372 ( 1.857 0.000 -4.920) 5.259 8.045 ( -0.187 0.000 9.782) 9.784 8.119 ( -3.058 0.000 -0.475) 3.094 8.340 ( -7.222 0.000 1.957) 7.482 8.604 ( 4.355 0.000 5.250) 6.821 8.636 ( 7.427 0.000 1.194) 7.522 8.687 ( 2.090 0.000 -6.549) 6.874 8.904 ( 0.135 0.000 6.413) 6.415 9.040 ( -1.171 0.000 -7.858) 7.945 10.219 ( -17.006 0.000 -5.276) 17.806 10.486 ( 7.267 0.000 8.966) 11.541 10.814 ( -4.535 0.000 8.388) 9.535 11.284 ( 8.460 0.000 -13.274) 15.741 12.986 ( -21.644 0.000 -2.700) 21.811 13.541 ( 16.139 0.000 8.777) 18.371 14.383 ( -5.811 0.000 13.147) 14.374 14.873 ( 6.378 0.000 -13.642) 15.060 16.614 ( -9.254 0.000 -10.377) 13.904 16.814 ( 14.317 0.000 10.155) 17.553 18.906 ( -7.213 0.000 3.946) 8.222 19.152 ( -0.013 0.000 -7.899) 7.899 ======================= Grid point 376 (188/260) ======================= q-point: (-0.30 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -9.293 0.000 -0.487) 9.306 1.813 ( -1.672 0.000 11.169) 11.293 2.148 ( -2.404 0.000 -1.868) 3.045 2.265 ( 3.532 0.000 0.097) 3.533 2.611 ( 16.193 0.000 12.908) 20.709 2.780 ( 11.800 0.000 10.684) 15.918 3.109 ( -26.355 0.000 -1.260) 26.385 3.438 ( 4.962 0.000 -0.698) 5.011 3.574 ( -7.208 0.000 -0.311) 7.214 3.873 ( -14.026 0.000 0.330) 14.030 3.965 ( -4.869 0.000 8.533) 9.825 4.789 ( -9.803 0.000 -9.643) 13.751 4.856 ( -4.443 0.000 -3.395) 5.592 5.225 ( 1.785 0.000 -4.951) 5.263 5.274 ( -13.080 0.000 3.114) 13.445 5.346 ( -3.882 0.000 -9.057) 9.854 5.500 ( 14.360 0.000 11.546) 18.426 5.931 ( 8.956 0.000 4.797) 10.160 6.077 ( 11.266 0.000 4.228) 12.033 6.797 ( 17.475 0.000 -13.852) 22.299 7.199 ( -3.216 0.000 4.702) 5.697 7.328 ( 1.763 0.000 -11.103) 11.242 8.000 ( -8.923 0.000 -1.873) 9.117 8.096 ( -2.226 0.000 4.444) 4.971 8.263 ( -2.116 0.000 -0.649) 2.213 8.705 ( 0.343 0.000 -0.667) 0.750 8.717 ( 7.443 0.000 -5.099) 9.022 8.752 ( 7.222 0.000 4.842) 8.695 8.973 ( 0.034 0.000 -4.121) 4.121 9.065 ( 9.140 0.000 10.956) 14.268 9.871 ( -17.273 0.000 -5.210) 18.042 10.638 ( 0.810 0.000 7.663) 7.706 10.820 ( -4.232 0.000 10.312) 11.147 11.330 ( 10.895 0.000 -11.763) 16.034 12.583 ( -20.443 0.000 -4.470) 20.926 13.698 ( -1.262 0.000 -8.962) 9.051 14.428 ( -4.992 0.000 15.773) 16.544 15.018 ( 18.995 0.000 0.704) 19.008 16.379 ( -5.364 0.000 -10.482) 11.775 17.131 ( 13.185 0.000 6.584) 14.737 18.784 ( -10.918 0.000 3.770) 11.551 19.028 ( -5.892 0.000 -7.871) 9.832 ======================= Grid point 377 (189/260) ======================= q-point: (-0.20 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -3.924 0.000 6.289) 7.413 1.847 ( -12.998 0.000 17.414) 21.730 2.118 ( 0.145 0.000 0.092) 0.172 2.301 ( -9.181 0.000 3.097) 9.690 2.719 ( -10.941 0.000 12.188) 16.378 3.033 ( 19.061 0.000 6.199) 20.044 3.063 ( 4.124 0.000 17.499) 17.978 3.419 ( -3.793 0.000 -2.063) 4.318 3.498 ( -7.170 0.000 6.195) 9.476 3.590 ( -10.551 0.000 2.069) 10.752 4.143 ( 11.960 0.000 1.202) 12.020 4.487 ( -8.581 0.000 -13.820) 16.267 4.761 ( -3.210 0.000 -5.476) 6.347 5.121 ( -12.071 0.000 8.944) 15.023 5.129 ( -6.626 0.000 -4.542) 8.034 5.268 ( 5.662 0.000 -11.446) 12.769 5.894 ( 16.814 0.000 13.134) 21.335 6.110 ( 6.421 0.000 5.706) 8.590 6.317 ( 9.842 0.000 7.601) 12.436 6.859 ( 3.691 0.000 -13.628) 14.119 7.139 ( -6.423 0.000 0.740) 6.465 7.259 ( 4.878 0.000 -14.401) 15.205 7.808 ( -10.454 0.000 -2.442) 10.735 8.029 ( -7.045 0.000 -2.189) 7.377 8.258 ( 2.514 0.000 -0.917) 2.676 8.668 ( -3.471 0.000 -0.366) 3.490 8.818 ( 9.458 0.000 -7.067) 11.807 8.922 ( 6.873 0.000 3.806) 7.857 8.980 ( 3.213 0.000 1.076) 3.389 9.361 ( 11.015 0.000 6.558) 12.819 9.564 ( -11.248 0.000 -0.174) 11.250 10.642 ( -5.675 0.000 2.475) 6.191 10.877 ( -0.776 0.000 12.255) 12.280 11.455 ( 13.529 0.000 -6.808) 15.146 12.217 ( -16.736 0.000 -4.887) 17.435 13.354 ( -21.562 0.000 -17.386) 27.698 14.494 ( -5.020 0.000 17.042) 17.766 15.400 ( 19.733 0.000 -5.216) 20.411 16.342 ( 11.219 0.000 0.182) 11.221 17.376 ( 9.638 0.000 2.875) 10.058 18.611 ( -12.631 0.000 3.625) 13.141 18.818 ( -10.531 0.000 -5.597) 11.926 ======================= Grid point 378 (190/260) ======================= q-point: (-0.10 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 3.545 0.000 11.899) 12.415 1.727 ( -15.935 0.000 17.259) 23.491 2.029 ( -19.242 0.000 10.451) 21.897 2.156 ( 5.514 0.000 -2.216) 5.943 2.960 ( 9.499 0.000 17.956) 20.314 3.178 ( -5.935 0.000 -5.370) 8.004 3.212 ( -6.428 0.000 20.424) 21.412 3.361 ( 1.151 0.000 0.335) 1.198 3.463 ( 13.167 0.000 -8.277) 15.552 3.706 ( 4.730 0.000 16.111) 16.791 4.090 ( -4.997 0.000 -9.740) 10.947 4.544 ( 16.697 0.000 -1.157) 16.737 4.619 ( -7.412 0.000 -6.394) 9.789 4.951 ( -8.848 0.000 -5.550) 10.444 5.000 ( -13.497 0.000 12.072) 18.108 5.297 ( 10.321 0.000 -11.625) 15.545 6.248 ( 2.989 0.000 5.053) 5.871 6.299 ( 14.948 0.000 13.905) 20.415 6.547 ( 7.829 0.000 8.936) 11.880 6.722 ( -2.348 0.000 -13.587) 13.788 7.017 ( -7.020 0.000 0.062) 7.020 7.214 ( 3.935 0.000 -13.869) 14.416 7.604 ( -9.602 0.000 -3.954) 10.384 7.812 ( -12.622 0.000 -7.439) 14.651 8.331 ( 5.988 0.000 0.346) 5.998 8.588 ( -5.093 0.000 -0.655) 5.135 8.895 ( 7.505 0.000 -6.341) 9.825 9.003 ( -2.526 0.000 0.935) 2.694 9.101 ( 7.818 0.000 1.900) 8.046 9.285 ( -6.962 0.000 0.507) 6.981 9.767 ( 16.239 0.000 6.162) 17.369 10.504 ( -9.847 0.000 -2.264) 10.104 11.031 ( 5.142 0.000 13.072) 14.047 11.659 ( 13.672 0.000 -1.525) 13.757 11.924 ( -10.783 0.000 -5.742) 12.216 12.737 ( -31.535 0.000 -12.108) 33.779 14.570 ( -4.772 0.000 17.877) 18.503 15.494 ( 7.143 0.000 -17.971) 19.339 16.767 ( 28.116 0.000 6.593) 28.879 17.483 ( 0.015 0.000 -0.285) 0.286 18.450 ( -8.346 0.000 3.329) 8.986 18.597 ( -9.869 0.000 -2.058) 10.082 ======================= Grid point 379 (191/260) ======================= q-point: ( 0.00 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 6.470 -3.408 12.916) 14.843 1.769 ( -2.343 4.885 15.208) 16.144 1.884 ( -3.979 -1.040 2.402) 4.763 2.298 ( 10.170 2.924 -8.708) 13.704 2.982 ( 1.969 -8.546 -0.852) 8.811 3.063 ( -5.328 -2.080 -2.162) 6.115 3.336 ( 3.491 1.205 10.303) 10.944 3.392 ( -6.431 7.027 8.266) 12.612 3.732 ( 11.720 0.237 7.989) 14.186 3.976 ( 9.129 4.581 2.890) 10.615 4.198 ( 4.681 11.139 -4.108) 12.762 4.446 ( -4.168 6.526 -6.892) 10.366 4.700 ( -12.971 -1.747 -2.047) 13.248 4.845 ( 13.213 0.942 -6.568) 14.786 4.911 ( -13.893 4.578 15.928) 21.626 5.425 ( 13.752 0.840 -8.139) 16.002 6.101 ( -2.012 -13.393 3.521) 13.994 6.392 ( 2.800 -19.584 5.336) 20.490 6.463 ( -3.509 -6.401 -4.981) 8.837 6.692 ( 4.703 -8.264 -0.067) 9.509 7.031 ( -0.653 5.367 2.357) 5.898 7.143 ( -1.880 -2.681 -5.702) 6.575 7.418 ( -3.485 2.378 -3.530) 5.501 7.543 ( -12.198 4.281 -7.634) 15.013 8.418 ( 2.390 -0.447 4.213) 4.864 8.551 ( -1.619 2.264 -2.554) 3.777 8.924 ( -9.909 5.290 0.618) 11.249 9.007 ( 7.568 2.066 -3.251) 8.492 9.246 ( 3.718 0.779 0.442) 3.824 9.268 ( 1.218 1.864 -0.911) 2.406 10.148 ( 14.733 6.111 3.497) 16.329 10.306 ( -12.875 2.610 -3.715) 13.652 11.259 ( 9.978 -2.434 12.032) 15.819 11.621 ( -7.463 -2.939 -6.058) 10.052 11.882 ( 3.470 -8.353 5.158) 10.413 12.083 ( -14.128 -3.986 -4.138) 15.252 14.643 ( -3.272 -1.228 13.586) 14.028 15.312 ( 3.309 -8.959 -19.723) 21.914 17.316 ( 16.560 6.234 3.261) 17.993 17.408 ( -13.297 5.792 -1.833) 14.619 18.423 ( 1.719 0.039 2.009) 2.645 18.480 ( -0.176 -0.398 -0.929) 1.026 ======================= Grid point 380 (192/260) ======================= q-point: ( 0.10 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 1.368 -1.817 -1.469) 2.708 1.964 ( 9.953 2.996 9.234) 13.903 1.986 ( 11.316 1.529 3.722) 12.010 2.448 ( 16.805 -0.395 -8.740) 18.946 2.932 ( -5.501 -3.551 -0.464) 6.564 3.050 ( 5.611 -5.635 -0.398) 7.962 3.338 ( -4.874 2.970 5.281) 7.776 3.558 ( 10.092 6.639 5.372) 13.221 3.867 ( -1.681 -5.338 -0.781) 5.651 3.967 ( -3.706 3.538 -15.724) 16.538 4.279 ( 1.676 4.046 7.093) 8.336 4.363 ( 3.947 14.097 -9.799) 17.616 4.463 ( -11.476 1.811 2.359) 11.855 4.844 ( -8.674 7.721 14.502) 18.578 5.011 ( 10.671 -1.807 -6.085) 12.416 5.598 ( 14.119 0.490 -8.482) 16.478 6.117 ( -1.191 -8.329 8.370) 11.868 6.300 ( -1.387 -12.964 -5.911) 14.316 6.505 ( -3.255 -16.722 4.837) 17.710 6.659 ( -5.372 -11.766 -9.229) 15.889 6.898 ( -10.622 1.808 0.322) 10.780 7.193 ( 5.172 2.788 -0.915) 5.947 7.314 ( -5.933 0.443 3.027) 6.676 7.474 ( 5.041 6.534 7.180) 10.938 8.401 ( -6.508 3.454 0.614) 7.393 8.541 ( 0.371 -2.336 0.099) 2.367 8.783 ( -5.884 5.965 1.862) 8.583 9.104 ( 4.591 2.922 -1.843) 5.745 9.196 ( -2.921 -0.192 -3.175) 4.318 9.367 ( 6.831 1.489 -0.937) 7.054 10.035 ( -12.972 2.564 -5.242) 14.225 10.405 ( 11.060 6.278 3.677) 13.239 11.424 ( -8.702 -4.657 -6.099) 11.602 11.562 ( 12.347 -3.666 8.839) 15.621 11.647 ( -14.484 -0.733 0.512) 14.512 12.292 ( 18.199 -5.744 6.727) 20.235 14.723 ( -3.321 -3.931 15.036) 15.892 15.202 ( 4.546 -10.220 -18.044) 21.230 17.063 ( -22.223 8.990 -3.891) 24.286 17.473 ( -0.410 3.487 2.675) 4.414 18.529 ( 7.588 -0.269 1.540) 7.748 18.576 ( 12.218 -0.053 -3.007) 12.583 ======================= Grid point 381 (193/260) ======================= q-point: ( 0.20 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 5.646 7.084 -9.207) 12.917 2.168 ( 9.047 0.277 -0.931) 9.098 2.228 ( 11.266 2.780 1.232) 11.669 2.653 ( 10.706 2.649 -3.832) 11.676 2.881 ( -3.968 -3.685 2.882) 6.134 3.099 ( -1.951 -3.306 -4.049) 5.580 3.330 ( 4.265 0.695 -1.205) 4.487 3.647 ( 0.182 -1.429 -6.358) 6.520 3.784 ( -3.406 -3.908 -9.056) 10.435 3.803 ( 1.977 3.812 -4.988) 6.581 4.230 ( -3.810 -0.452 -0.016) 3.836 4.286 ( -3.306 7.931 -6.185) 10.587 4.475 ( 1.846 5.335 8.361) 10.089 4.907 ( 2.838 8.908 7.936) 12.263 5.102 ( 6.666 -1.079 -4.052) 7.875 5.726 ( 11.447 -1.410 -12.593) 17.076 6.182 ( -1.287 -9.177 0.462) 9.278 6.295 ( -2.662 -4.476 6.200) 8.097 6.377 ( -10.302 -3.738 -1.680) 11.087 6.417 ( -6.166 -11.434 -6.147) 14.371 6.752 ( -8.709 -3.099 1.880) 9.433 7.227 ( 1.893 6.105 1.065) 6.480 7.394 ( 2.801 -7.508 11.948) 14.386 7.690 ( 7.611 4.554 12.045) 14.959 8.266 ( -8.759 4.258 1.300) 9.826 8.517 ( -2.894 -4.324 0.741) 5.255 8.766 ( -0.008 4.594 2.216) 5.100 9.049 ( -6.334 -0.495 -3.316) 7.167 9.144 ( -0.687 3.035 -4.472) 5.448 9.498 ( 8.441 2.916 0.349) 8.937 9.786 ( -8.340 2.084 -6.970) 11.067 10.599 ( 6.736 6.267 5.147) 10.542 11.212 ( -11.007 -6.783 -2.178) 13.111 11.447 ( -3.252 3.482 -8.198) 9.482 11.897 ( 14.563 -3.389 9.193) 17.552 12.686 ( 16.845 -8.085 11.424) 21.901 14.770 ( -5.146 -8.442 8.249) 12.876 15.167 ( 6.978 -6.633 -8.791) 13.037 16.617 ( -22.836 11.453 -6.028) 26.248 17.411 ( -7.894 1.654 1.925) 8.292 18.685 ( 8.177 -0.097 1.994) 8.417 18.786 ( 14.938 0.119 -4.597) 15.630 ======================= Grid point 382 (194/260) ======================= q-point: ( 0.30 0.12 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 10.435 16.386 -10.335) 22.005 2.271 ( 6.069 -2.743 -5.687) 8.758 2.345 ( 2.776 1.636 -1.062) 3.393 2.541 ( -15.721 8.872 -14.487) 23.146 2.830 ( 0.571 -2.819 -1.365) 3.184 3.046 ( -1.146 -0.863 2.718) 3.073 3.414 ( 6.624 1.600 -8.982) 11.274 3.517 ( -10.992 -5.127 -5.540) 13.334 3.662 ( -13.124 0.091 -3.214) 13.512 3.751 ( 9.249 -4.979 -6.036) 12.115 4.255 ( 8.040 -1.233 -4.399) 9.247 4.318 ( 10.438 1.120 3.584) 11.093 4.627 ( 8.139 2.903 7.206) 11.252 5.035 ( 4.418 6.569 4.813) 9.264 5.199 ( 5.907 2.449 1.287) 6.522 5.712 ( -1.396 -8.380 -13.935) 16.320 6.043 ( -4.380 5.551 -9.905) 12.170 6.081 ( -10.883 -5.115 -0.866) 12.057 6.246 ( -2.725 -6.201 -12.358) 14.092 6.522 ( -2.155 0.370 6.883) 7.222 6.642 ( -4.152 -3.603 14.272) 15.294 7.290 ( 2.742 4.735 2.354) 5.957 7.564 ( 1.713 -9.666 15.467) 18.319 7.917 ( 5.766 3.029 10.629) 12.465 8.171 ( -4.137 1.643 4.532) 6.352 8.475 ( -1.994 -5.164 -0.566) 5.565 8.766 ( -4.312 4.324 2.651) 6.657 8.901 ( -5.255 -2.076 -3.682) 6.744 9.067 ( -2.511 4.901 -4.573) 7.158 9.535 ( -3.697 7.728 -6.680) 10.863 9.747 ( 9.951 -1.941 0.021) 10.138 10.731 ( 1.537 5.636 7.904) 9.829 11.009 ( -9.949 -5.872 -3.152) 11.975 11.352 ( 2.532 4.157 -11.828) 12.790 12.238 ( 15.170 -4.963 9.257) 18.451 13.044 ( 10.601 -10.360 12.659) 19.493 14.685 ( -7.796 -10.492 -0.310) 13.075 15.270 ( 7.567 2.421 -0.508) 7.961 16.224 ( -14.727 8.924 -4.603) 17.824 17.262 ( -9.951 0.148 -0.430) 9.961 18.833 ( 6.030 0.259 2.915) 6.703 18.981 ( 12.570 0.222 -5.171) 13.594 ======================= Grid point 383 (195/260) ======================= q-point: ( 0.40 0.12 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 13.105 17.391 -9.203) 23.640 2.096 ( -14.773 8.125 -12.141) 20.776 2.284 ( 1.460 2.133 -6.955) 7.420 2.347 ( -2.725 2.267 -1.216) 3.748 2.723 ( -7.506 0.716 -9.669) 12.261 2.973 ( -7.788 -2.768 -8.314) 11.723 3.282 ( -9.414 -3.472 -4.859) 11.149 3.341 ( -5.122 -3.934 -1.442) 6.618 3.571 ( 8.120 3.935 -0.191) 9.025 3.842 ( 0.823 -6.262 1.889) 6.592 4.399 ( 10.627 -7.091 -0.246) 12.777 4.611 ( 15.129 -3.882 6.283) 16.835 4.868 ( 11.682 3.293 2.540) 12.401 5.147 ( 4.104 2.504 3.921) 6.204 5.230 ( -6.427 2.639 -2.892) 7.526 5.541 ( -0.874 -0.841 -0.872) 1.494 5.816 ( -16.325 -2.068 -2.306) 16.616 5.956 ( -4.581 1.649 -5.478) 7.329 6.162 ( 13.734 1.306 -21.057) 25.174 6.322 ( -14.000 -2.877 -4.108) 14.871 6.874 ( 4.093 3.215 19.749) 20.423 7.348 ( 1.554 2.608 1.934) 3.600 7.724 ( -0.144 -8.739 15.834) 18.086 8.055 ( 1.760 1.226 5.754) 6.141 8.226 ( 2.474 -3.235 7.689) 8.701 8.441 ( 0.043 -5.327 -2.449) 5.863 8.657 ( -8.146 3.490 2.258) 9.145 8.836 ( -1.092 1.059 -1.617) 2.220 8.992 ( -1.775 5.374 -3.359) 6.581 9.390 ( -3.154 7.781 -10.147) 13.171 9.969 ( 11.868 -1.495 4.784) 12.883 10.751 ( -13.613 -1.907 9.040) 16.452 10.849 ( 0.823 2.598 -5.061) 5.748 11.307 ( 5.214 3.078 -12.814) 14.172 12.588 ( 14.814 -8.426 10.468) 20.001 13.239 ( -0.688 -13.253 8.652) 15.843 14.552 ( -6.950 -2.558 2.660) 7.870 15.303 ( 0.479 14.922 -10.974) 18.529 16.128 ( 3.402 -3.022 7.200) 8.517 17.065 ( -10.525 -1.556 -4.043) 11.382 18.937 ( 2.269 0.823 3.667) 4.390 19.116 ( 8.810 0.210 -5.621) 10.453 ======================= Grid point 384 (196/260) ======================= q-point: (-0.50 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.209 7.487 -6.075) 10.521 2.083 ( 9.188 11.736 -7.786) 16.816 2.173 ( -9.396 2.854 -4.206) 10.683 2.272 ( -3.363 8.517 1.233) 9.240 2.545 ( 0.162 4.751 -5.579) 7.329 2.655 ( -13.433 -0.310 -12.790) 18.550 3.207 ( 0.563 -7.506 0.100) 7.527 3.285 ( 1.186 -6.436 -3.238) 7.302 3.744 ( 3.083 -0.917 4.921) 5.878 3.829 ( -0.058 -1.914 1.410) 2.378 4.593 ( 7.350 -11.902 4.905) 14.823 4.790 ( -18.677 1.863 -2.780) 18.975 4.876 ( 7.766 -6.351 4.802) 11.122 5.128 ( 5.251 4.187 -4.318) 7.984 5.365 ( 12.565 3.348 4.946) 13.913 5.488 ( -16.463 0.676 -2.886) 16.727 5.600 ( -4.715 -1.234 6.350) 8.005 5.814 ( -0.474 2.316 -4.838) 5.385 6.028 ( -12.919 1.756 -6.818) 14.713 6.314 ( 23.754 2.320 -20.413) 31.405 7.092 ( 2.555 4.158 14.631) 15.424 7.377 ( 0.662 0.844 0.084) 1.076 7.853 ( -0.753 -7.577 14.107) 16.031 8.112 ( 1.083 -1.146 1.300) 2.044 8.303 ( -1.762 -8.437 4.974) 9.951 8.453 ( 4.500 -4.872 -3.479) 7.489 8.600 ( -2.177 6.554 6.429) 9.435 8.798 ( -0.798 3.597 -3.180) 4.867 8.950 ( -1.431 5.366 0.875) 5.622 9.249 ( -1.917 8.384 -10.400) 13.495 10.224 ( 10.457 -1.821 7.830) 13.190 10.514 ( -15.004 -2.487 -1.981) 15.337 10.858 ( -2.033 4.376 4.737) 6.762 11.289 ( 6.368 1.585 -12.981) 14.546 12.929 ( 12.377 -14.893 11.685) 22.617 13.158 ( -13.330 -14.355 1.236) 19.629 14.552 ( 0.359 11.402 10.826) 15.727 15.139 ( -1.538 15.112 -18.239) 23.736 16.389 ( 12.982 -6.860 12.875) 19.528 16.827 ( -10.320 -3.418 -8.284) 13.668 18.973 ( -2.246 1.511 3.901) 4.749 19.176 ( 4.351 -0.090 -6.328) 7.680 ======================= Grid point 385 (197/260) ======================= q-point: (-0.40 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -6.140 9.151 -2.312) 11.260 1.990 ( -4.055 10.314 0.059) 11.083 2.164 ( -1.797 -0.532 6.302) 6.575 2.232 ( 0.934 3.805 -1.526) 4.205 2.387 ( -3.976 -2.235 -4.723) 6.566 2.655 ( 10.693 12.797 3.207) 16.982 3.222 ( 0.071 -10.532 -2.416) 10.806 3.319 ( 4.346 -5.191 -0.787) 6.816 3.679 ( -5.802 -1.128 -0.014) 5.911 3.901 ( -0.709 -1.258 0.488) 1.524 4.346 ( -24.414 4.966 3.130) 25.110 4.787 ( 2.820 -9.871 4.315) 11.136 4.961 ( -4.975 -6.553 0.719) 8.258 5.087 ( -0.660 -4.567 -6.413) 7.901 5.313 ( 2.956 4.862 -3.099) 6.480 5.413 ( -12.946 -1.833 7.696) 15.171 5.636 ( 1.828 2.341 -0.650) 3.041 5.805 ( -0.350 5.262 -2.614) 5.886 5.897 ( 8.587 3.336 -0.572) 9.229 6.564 ( 23.795 0.761 -16.380) 28.898 7.223 ( -0.091 4.516 8.088) 9.264 7.370 ( 0.353 -1.102 -3.202) 3.405 7.958 ( -0.609 -7.007 10.935) 13.002 8.106 ( -1.014 -1.903 -3.230) 3.883 8.284 ( -3.667 -5.239 2.665) 6.928 8.507 ( 5.657 -6.933 -4.428) 9.984 8.658 ( 0.884 4.678 5.253) 7.089 8.783 ( 2.704 4.650 -1.642) 5.625 8.973 ( 0.050 6.187 7.126) 9.437 9.147 ( 0.747 9.546 -8.267) 12.650 10.209 ( -15.954 -0.883 -4.572) 16.619 10.464 ( 7.124 -1.676 9.070) 11.654 10.858 ( -4.395 3.837 7.604) 9.584 11.285 ( 7.284 0.089 -13.048) 14.943 12.859 ( -18.920 -11.261 -2.693) 22.182 13.198 ( 5.641 -23.337 10.591) 26.242 14.732 ( 5.076 24.096 10.131) 26.628 14.976 ( 3.478 8.924 -12.992) 16.141 16.548 ( -9.228 -5.917 -10.115) 14.916 16.763 ( 14.778 -4.732 9.833) 18.370 18.930 ( -6.761 2.082 3.687) 7.977 19.145 ( -0.885 -0.647 -7.078) 7.162 ======================= Grid point 386 (198/260) ======================= q-point: (-0.30 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -11.524 9.005 2.265) 14.799 1.976 ( -5.049 11.860 13.288) 18.513 2.128 ( -3.156 -1.651 -0.724) 3.634 2.265 ( 3.990 0.323 0.261) 4.011 2.550 ( 12.122 -4.778 12.644) 18.156 2.892 ( 8.351 6.896 8.541) 13.793 3.068 ( -14.377 -1.465 -1.158) 14.497 3.379 ( -0.807 -1.175 3.454) 3.737 3.646 ( 1.540 -6.463 -2.656) 7.155 3.775 ( -9.037 4.502 -0.691) 10.119 4.061 ( -10.639 5.101 3.434) 12.288 4.673 ( -11.582 -7.371 -10.758) 17.441 4.844 ( -1.329 -2.394 1.977) 3.377 5.137 ( -0.023 -7.418 1.515) 7.571 5.275 ( -2.117 0.593 -1.770) 2.823 5.416 ( -7.985 0.722 -0.322) 8.024 5.507 ( 6.446 2.913 2.681) 7.565 5.947 ( 5.972 1.924 3.485) 7.177 6.073 ( 11.362 -0.068 2.500) 11.634 6.791 ( 17.249 -0.057 -13.111) 21.666 7.207 ( -4.832 0.002 -2.426) 5.407 7.353 ( 1.033 1.010 -3.018) 3.346 7.982 ( -5.679 -3.003 -3.619) 7.373 8.046 ( -1.515 -3.556 3.885) 5.481 8.240 ( -2.652 -1.775 0.329) 3.209 8.557 ( 5.570 -6.385 -4.835) 9.755 8.761 ( 6.663 0.990 3.777) 7.723 8.833 ( 2.880 4.263 0.529) 5.172 9.022 ( -0.469 4.904 0.361) 4.940 9.199 ( 9.126 11.190 4.826) 15.225 9.883 ( -16.179 1.201 -5.046) 16.990 10.627 ( 1.812 -0.984 8.421) 8.669 10.854 ( -5.104 3.018 9.636) 11.314 11.312 ( 9.497 -1.652 -11.471) 14.983 12.500 ( -18.574 -7.409 -3.691) 20.335 13.271 ( -6.488 -28.027 4.501) 29.118 14.699 ( -2.995 14.329 -8.450) 16.903 15.218 ( 18.845 17.399 8.057) 26.885 16.317 ( -4.125 -5.134 -9.717) 11.739 17.101 ( 14.199 -2.890 7.475) 16.304 18.811 ( -10.628 2.331 3.307) 11.373 19.014 ( -6.566 -1.086 -6.933) 9.610 ======================= Grid point 387 (199/260) ======================= q-point: (-0.20 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -8.139 6.097 7.637) 12.718 1.930 ( -15.393 4.447 13.848) 21.178 2.131 ( 0.727 2.734 4.226) 5.086 2.334 ( -8.565 2.677 2.287) 9.260 2.689 ( -0.198 -3.472 8.147) 8.859 2.964 ( 7.246 -1.247 11.257) 13.445 3.178 ( 2.149 6.108 14.389) 15.779 3.353 ( -3.939 -5.459 7.902) 10.380 3.536 ( -9.376 0.703 3.088) 9.897 3.677 ( 0.743 10.068 -8.307) 13.074 4.133 ( 12.923 -1.694 1.914) 13.173 4.389 ( -8.437 -3.583 -10.122) 13.656 4.842 ( 0.213 2.696 -2.629) 3.771 5.079 ( -8.046 -2.279 3.859) 9.210 5.172 ( -10.421 2.676 -2.644) 11.079 5.277 ( 3.551 0.364 -7.625) 8.419 5.801 ( 13.087 -8.615 12.684) 20.159 6.046 ( 2.804 -4.398 3.003) 6.018 6.302 ( 10.424 -1.175 5.066) 11.649 6.871 ( 3.827 0.868 -12.509) 13.110 7.071 ( -3.171 -4.193 -6.959) 8.722 7.326 ( -0.285 2.514 -4.735) 5.369 7.789 ( -9.183 -2.174 -6.635) 11.536 8.022 ( -4.678 -0.495 -2.482) 5.319 8.227 ( 1.149 -1.588 1.930) 2.751 8.603 ( 3.170 -3.787 -2.916) 5.735 8.887 ( 4.240 2.992 -2.576) 5.794 8.930 ( 8.670 0.559 2.749) 9.112 9.020 ( 0.801 4.390 0.827) 4.538 9.475 ( 13.278 10.203 6.205) 17.858 9.582 ( -12.509 1.849 -1.845) 12.779 10.661 ( -4.914 1.555 3.639) 6.309 10.880 ( -2.064 0.507 11.649) 11.841 11.416 ( 12.137 -3.538 -6.250) 14.103 12.167 ( -15.567 -4.534 -4.235) 16.758 13.038 ( -20.462 -23.781 -3.675) 31.587 14.604 ( -3.218 7.517 0.470) 8.190 15.500 ( 9.737 5.458 -9.657) 14.760 16.377 ( 17.233 4.808 4.774) 18.517 17.373 ( 10.813 -0.577 3.761) 11.463 18.636 ( -12.621 2.148 2.997) 13.149 18.805 ( -10.699 -1.018 -4.880) 11.803 ======================= Grid point 388 (200/260) ======================= q-point: (-0.10 0.12 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.187 0.453 11.900) 11.911 1.784 ( -15.204 4.903 15.989) 22.602 2.034 ( -18.379 0.439 6.543) 19.514 2.217 ( 5.685 5.272 -2.544) 8.161 2.955 ( 9.478 -4.679 7.798) 13.135 3.070 ( -4.433 -4.340 -0.702) 6.244 3.205 ( -1.502 -1.555 17.993) 18.123 3.396 ( -3.316 6.218 11.449) 13.444 3.588 ( -0.662 2.574 -7.574) 8.027 3.700 ( 13.966 5.378 10.088) 18.048 4.208 ( -0.462 9.069 -6.827) 11.361 4.414 ( 12.147 -5.010 0.756) 13.162 4.782 ( -0.997 7.551 -6.289) 9.878 4.934 ( -9.010 -1.665 -3.803) 9.921 5.011 ( -11.990 1.297 10.189) 15.788 5.306 ( 9.250 0.822 -9.677) 13.413 6.080 ( 1.227 -11.365 6.556) 13.177 6.158 ( 9.743 -14.380 10.413) 20.252 6.511 ( 8.223 -2.966 3.518) 9.423 6.705 ( -5.899 -3.007 -12.046) 13.746 7.014 ( 1.277 0.814 -3.936) 4.217 7.254 ( -2.281 0.741 -6.183) 6.632 7.574 ( -7.987 -1.958 -6.816) 10.682 7.832 ( -10.596 2.142 -8.564) 13.792 8.310 ( 4.221 -0.695 4.284) 6.055 8.600 ( -0.821 0.129 -1.983) 2.150 8.930 ( 5.743 2.054 -5.213) 8.023 9.037 ( -2.251 3.329 1.306) 4.225 9.104 ( 8.682 0.359 1.636) 8.843 9.344 ( -8.712 5.112 -0.345) 10.107 9.832 ( 17.004 6.255 5.169) 18.841 10.534 ( -10.378 2.582 -1.189) 10.760 11.016 ( 4.406 -1.331 13.001) 13.792 11.603 ( 12.319 -5.194 -0.613) 13.383 11.893 ( -10.445 -2.742 -5.314) 12.035 12.559 ( -27.871 -14.662 -5.393) 31.951 14.594 ( -3.261 2.210 8.872) 9.707 15.442 ( 2.773 -5.294 -18.822) 19.748 16.869 ( 27.506 8.915 6.981) 29.745 17.513 ( 1.879 2.269 0.460) 2.982 18.464 ( -8.911 1.272 2.724) 9.405 18.589 ( -9.722 -0.667 -1.878) 9.924 ======================= Grid point 389 (201/260) ======================= q-point: ( 0.00 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 2.890 4.220 9.495) 10.785 1.841 ( -2.555 2.636 7.151) 8.038 1.994 ( -0.693 11.213 2.668) 11.547 2.411 ( 8.464 7.475 -10.046) 15.115 2.767 ( 3.455 -10.030 3.820) 11.275 3.020 ( -4.796 -1.424 -5.658) 7.553 3.348 ( 5.459 -0.517 15.806) 16.730 3.553 ( -6.922 7.201 8.036) 12.820 3.756 ( 5.916 1.909 7.713) 9.906 4.082 ( 3.708 4.752 5.617) 8.239 4.398 ( 1.837 5.208 -1.765) 5.797 4.612 ( 0.350 0.777 -1.779) 1.973 4.671 ( -0.800 6.780 -6.383) 9.346 4.849 ( 6.714 0.534 -10.499) 12.474 5.081 ( -6.245 10.356 15.693) 19.812 5.442 ( 10.685 0.253 -4.508) 11.600 5.815 ( -1.300 -11.311 1.327) 11.462 5.932 ( 1.679 -22.149 9.297) 24.080 6.282 ( -8.331 -10.244 -11.843) 17.737 6.423 ( 1.693 -16.258 -6.875) 17.733 7.021 ( -8.988 -5.033 2.405) 10.578 7.108 ( 4.127 -0.046 -1.787) 4.498 7.529 ( 1.504 6.988 -3.116) 7.798 7.659 ( -10.498 6.134 -7.503) 14.288 8.422 ( 2.206 0.088 4.777) 5.262 8.556 ( -1.223 -1.582 -2.832) 3.466 9.043 ( -5.786 4.653 -0.703) 7.458 9.046 ( 7.165 1.573 -1.664) 7.522 9.283 ( 4.545 2.801 1.599) 5.573 9.334 ( -3.674 4.163 -1.111) 5.662 10.326 ( 14.639 10.014 1.800) 17.827 10.383 ( -13.527 4.535 -0.517) 14.277 11.184 ( 7.348 -4.556 12.586) 15.270 11.502 ( -8.026 -8.677 1.026) 11.865 11.714 ( -2.249 -5.744 2.161) 6.536 11.958 ( -2.166 -7.350 -5.044) 9.173 14.629 ( -2.354 0.167 4.092) 4.724 15.088 ( 0.190 -10.982 -17.908) 21.008 17.464 ( 11.626 6.814 3.502) 13.923 17.539 ( -8.742 5.675 -0.670) 10.444 18.425 ( 0.915 0.197 1.123) 1.462 18.469 ( 0.224 -0.583 -1.075) 1.243 ======================= Grid point 390 (202/260) ======================= q-point: ( 0.10 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 5.819 3.410 2.030) 7.044 2.020 ( 13.560 2.277 4.869) 14.587 2.091 ( 9.506 7.959 3.048) 12.767 2.504 ( 13.067 5.856 -10.571) 17.798 2.864 ( -3.921 -2.144 -3.896) 5.929 2.916 ( 7.911 -5.760 2.611) 10.129 3.482 ( -6.913 9.815 5.607) 13.250 3.609 ( 5.971 -1.532 9.003) 10.911 3.815 ( -4.361 -1.594 3.417) 5.765 4.041 ( -2.888 3.293 -12.518) 13.262 4.354 ( -8.811 3.142 1.867) 9.539 4.477 ( -5.153 1.773 3.120) 6.280 4.701 ( 4.138 14.034 -11.964) 18.900 4.943 ( 10.565 -2.364 -4.773) 11.832 5.082 ( -5.025 11.678 7.406) 14.713 5.593 ( 10.075 -1.735 -2.373) 10.495 5.923 ( 3.395 -17.329 3.676) 18.037 5.965 ( 4.946 -8.402 -1.035) 9.804 6.139 ( -4.076 -15.980 5.870) 17.505 6.327 ( -2.930 -18.168 -10.610) 21.242 6.903 ( -8.709 -0.806 3.857) 9.558 7.158 ( 2.717 -4.178 0.355) 4.996 7.425 ( -8.420 7.393 -1.915) 11.368 7.611 ( 4.725 5.962 4.659) 8.921 8.458 ( -2.972 0.824 2.966) 4.279 8.497 ( -2.315 -1.773 -2.728) 3.993 8.903 ( -7.188 5.226 -0.134) 8.888 9.161 ( 5.120 -0.013 -2.646) 5.763 9.212 ( -5.483 3.879 -0.612) 6.744 9.419 ( 6.749 2.798 0.749) 7.345 10.129 ( -13.557 6.663 -1.639) 15.194 10.579 ( 12.283 9.261 1.358) 15.443 11.281 ( -13.757 -8.599 1.936) 16.338 11.453 ( 8.883 -5.988 5.709) 12.139 11.633 ( -2.325 -0.375 -0.535) 2.415 12.123 ( 16.103 -9.694 2.390) 18.947 14.640 ( -3.562 -3.162 7.825) 9.160 14.964 ( 2.623 -10.984 -12.774) 17.050 17.272 ( -18.477 9.652 -3.020) 21.063 17.548 ( -3.790 2.938 2.341) 5.336 18.524 ( 8.023 -0.125 1.054) 8.093 18.572 ( 12.164 -0.380 -2.390) 12.402 ======================= Grid point 391 (203/260) ======================= q-point: ( 0.20 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 10.477 5.252 -1.684) 11.840 2.217 ( 6.810 4.226 -3.776) 8.860 2.334 ( 13.529 6.759 -2.549) 15.337 2.654 ( 11.920 -1.528 -3.423) 12.496 2.833 ( 2.088 -0.484 3.659) 4.241 3.055 ( 3.664 -0.769 -5.930) 7.013 3.423 ( -4.141 7.857 5.861) 10.641 3.573 ( -9.122 -1.450 -2.667) 9.614 3.751 ( -4.345 -3.695 -3.807) 6.858 3.903 ( 1.705 5.121 -13.449) 14.491 4.262 ( -0.067 4.155 -0.870) 4.246 4.398 ( -9.603 3.999 1.303) 10.483 4.589 ( -1.996 3.179 -5.061) 6.301 5.085 ( 7.803 1.946 -0.493) 8.057 5.118 ( 4.513 8.032 2.529) 9.554 5.654 ( 1.578 -7.050 -11.353) 13.456 5.907 ( 4.312 -17.296 -4.571) 18.403 6.131 ( -4.772 -12.131 -2.383) 13.252 6.167 ( 3.169 -7.209 -3.476) 8.608 6.279 ( 8.324 -2.448 17.881) 19.875 6.761 ( -11.772 2.538 2.695) 12.341 7.218 ( 1.663 -8.428 5.084) 9.982 7.346 ( -2.176 4.919 4.222) 6.838 7.768 ( 5.271 2.289 8.995) 10.674 8.362 ( -9.121 3.859 0.954) 9.950 8.435 ( -2.359 -3.010 -2.047) 4.338 8.838 ( -1.778 2.274 2.405) 3.757 9.041 ( -8.796 -0.803 -3.189) 9.391 9.218 ( 1.060 4.294 -2.557) 5.109 9.556 ( 7.907 1.352 1.637) 8.187 9.905 ( -9.628 10.011 -2.681) 14.146 10.773 ( 8.555 9.210 1.535) 12.664 11.058 ( -12.765 -7.611 1.041) 14.899 11.481 ( 1.453 -0.631 -9.390) 9.523 11.811 ( 12.423 -3.749 8.529) 15.528 12.448 ( 15.545 -13.633 6.493) 21.672 14.617 ( -4.967 -4.833 3.046) 7.570 14.985 ( 6.629 -9.539 1.165) 11.675 16.889 ( -20.305 12.816 -6.107) 24.776 17.435 ( -9.775 0.135 0.699) 9.801 18.687 ( 8.917 0.360 1.614) 9.069 18.784 ( 14.264 -0.416 -3.228) 14.631 ======================= Grid point 392 (204/260) ======================= q-point: ( 0.30 0.25 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 11.128 1.719 -1.904) 11.420 2.213 ( 2.049 2.804 -9.950) 10.538 2.438 ( 4.615 7.572 -5.831) 10.613 2.710 ( -7.537 3.338 -7.739) 11.307 2.884 ( 3.643 10.215 -7.096) 12.961 3.024 ( -0.622 -0.900 7.891) 7.966 3.306 ( -9.591 -7.113 -0.861) 11.972 3.504 ( 1.207 1.466 -5.472) 5.793 3.654 ( -7.320 0.598 -3.119) 7.980 3.775 ( 1.536 5.017 -14.165) 15.105 4.240 ( 1.146 1.014 -2.171) 2.656 4.320 ( 4.361 -0.917 -0.424) 4.477 4.661 ( 8.806 0.169 4.772) 10.017 5.174 ( 0.906 5.701 3.204) 6.602 5.265 ( 7.118 2.701 1.899) 7.847 5.500 ( -1.896 -11.087 -13.316) 17.431 5.905 ( -0.989 -10.656 -6.591) 12.569 6.012 ( -3.160 -9.245 -2.950) 10.205 6.219 ( 7.229 4.824 -6.910) 11.103 6.547 ( -14.049 3.752 2.263) 14.716 6.628 ( 8.398 0.807 18.983) 20.773 7.294 ( 0.494 -9.689 5.410) 11.108 7.407 ( 0.875 0.503 11.079) 11.125 7.931 ( 3.468 -2.439 8.544) 9.538 8.217 ( -8.113 2.535 2.169) 8.773 8.383 ( -0.674 -2.626 -3.224) 4.212 8.844 ( -5.929 2.482 3.526) 7.331 8.867 ( -3.451 -1.134 -1.664) 3.996 9.183 ( -1.512 6.141 -2.955) 6.981 9.676 ( 1.441 -1.382 -3.098) 3.685 9.793 ( 2.128 12.760 1.736) 13.052 10.853 ( -12.423 -3.184 5.312) 13.882 10.908 ( 5.953 4.975 -3.636) 8.567 11.421 ( 3.128 1.922 -11.947) 12.498 12.106 ( 12.440 -6.617 7.936) 16.172 12.735 ( 9.804 -17.468 6.281) 20.992 14.565 ( -3.105 -0.824 3.511) 4.759 15.192 ( 10.332 -8.160 10.085) 16.584 16.485 ( -17.678 13.994 -9.194) 24.349 17.243 ( -11.445 -2.286 -2.406) 11.916 18.846 ( 6.983 1.007 2.517) 7.491 18.980 ( 11.746 -0.423 -3.482) 12.258 ======================= Grid point 393 (205/260) ======================= q-point: ( 0.40 0.25 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -5.899 1.362 -8.157) 10.158 2.172 ( 0.683 -5.516 -3.548) 6.594 2.419 ( -3.922 5.039 -4.424) 7.768 2.578 ( 9.233 20.735 -9.933) 24.776 2.745 ( -8.751 1.404 -9.829) 13.235 3.011 ( -5.172 7.937 -0.772) 9.505 3.159 ( -9.769 -7.532 2.488) 12.584 3.345 ( -12.627 4.272 -11.226) 17.428 3.594 ( 13.009 -0.999 -1.722) 13.161 3.759 ( -1.260 -0.638 1.082) 1.779 4.256 ( 3.391 -5.668 -2.115) 6.935 4.533 ( 13.137 -3.052 4.987) 14.379 4.908 ( 14.631 -0.410 1.251) 14.690 5.063 ( -11.775 -8.735 -6.732) 16.133 5.331 ( 5.747 5.699 -2.573) 8.493 5.543 ( 6.523 1.072 5.254) 8.444 5.751 ( -10.643 -3.762 -2.954) 11.669 5.950 ( -1.469 -2.584 -5.093) 5.897 6.276 ( 4.771 8.577 -11.332) 14.991 6.302 ( -8.359 2.201 -1.009) 8.702 6.928 ( 6.644 0.931 15.837) 17.200 7.331 ( -1.001 -7.494 4.158) 8.628 7.550 ( 1.107 -4.280 14.084) 14.762 8.021 ( 0.226 -6.885 3.766) 7.851 8.143 ( -3.391 -1.229 3.332) 4.911 8.354 ( 1.425 -2.873 -4.738) 5.722 8.735 ( -4.530 3.785 2.942) 6.595 8.879 ( -0.698 2.315 2.736) 3.652 9.131 ( -1.794 7.819 -1.353) 8.136 9.583 ( -2.815 8.238 -7.419) 11.438 9.964 ( 9.216 2.407 6.383) 11.467 10.663 ( -11.874 -5.286 0.448) 13.005 10.968 ( 1.844 7.445 0.245) 7.674 11.368 ( 3.859 2.271 -12.565) 13.339 12.375 ( 9.944 -10.518 8.102) 16.588 12.865 ( -0.084 -20.007 2.611) 20.177 14.618 ( 2.832 7.515 9.889) 12.739 15.472 ( 9.626 -1.096 7.053) 11.984 16.156 ( -9.002 7.653 -6.514) 13.492 16.999 ( -11.970 -4.800 -6.655) 14.513 18.964 ( 3.422 1.711 3.206) 4.992 19.116 ( 7.723 -0.406 -3.835) 8.633 ======================= Grid point 394 (206/260) ======================= q-point: (-0.50 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -3.404 2.790 -0.079) 4.403 2.157 ( -1.757 -2.481 1.659) 3.463 2.250 ( -9.186 3.524 -6.492) 11.787 2.425 ( -4.594 -1.377 -13.269) 14.109 2.743 ( -14.368 12.416 0.137) 18.990 2.838 ( 8.040 19.345 -2.552) 21.104 3.103 ( 1.452 -3.878 -1.642) 4.454 3.122 ( -3.963 -2.764 -4.952) 6.919 3.714 ( -5.637 -1.650 3.149) 6.664 3.818 ( 12.139 0.865 -1.181) 12.227 4.342 ( 5.480 -10.940 3.797) 12.812 4.685 ( -3.609 -10.716 -8.340) 14.051 4.815 ( -4.494 -0.820 3.333) 5.655 5.112 ( 7.817 -3.601 -6.165) 10.587 5.449 ( 7.279 4.070 0.433) 8.351 5.518 ( -10.440 1.323 -2.287) 10.769 5.624 ( -8.264 3.997 10.037) 13.602 5.900 ( 2.944 5.458 -2.012) 6.520 6.069 ( -9.808 2.162 -1.904) 10.223 6.407 ( 18.427 6.393 -15.886) 25.156 7.143 ( 3.562 -1.026 11.840) 12.406 7.335 ( -2.149 -6.643 2.041) 7.274 7.688 ( 0.236 -5.688 13.235) 14.408 8.025 ( -0.718 -9.067 -0.714) 9.124 8.150 ( 0.744 -2.928 2.121) 3.691 8.343 ( 3.288 -4.872 -5.861) 8.300 8.747 ( -0.285 6.538 6.118) 8.959 8.877 ( -1.086 3.467 0.153) 3.637 9.111 ( -1.382 9.750 3.812) 10.559 9.469 ( -1.359 10.818 -8.797) 14.010 10.191 ( 8.419 -0.851 8.600) 12.065 10.450 ( -11.768 -3.251 -2.144) 12.396 10.979 ( -1.708 6.759 2.405) 7.375 11.323 ( 4.151 1.335 -12.322) 13.071 12.586 ( 4.685 -15.980 9.058) 18.956 12.791 ( -8.384 -18.439 -0.691) 20.267 14.851 ( 10.381 15.501 15.239) 24.089 15.478 ( -4.338 14.876 -14.317) 21.097 16.211 ( 11.063 -8.822 11.743) 18.388 16.713 ( -11.238 -7.213 -11.211) 17.436 19.016 ( -1.084 2.359 3.300) 4.198 19.169 ( 2.866 -0.555 -4.501) 5.364 ======================= Grid point 395 (207/260) ======================= q-point: (-0.40 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -4.902 7.014 1.697) 8.724 2.102 ( 0.570 0.370 8.421) 8.448 2.155 ( -6.025 -1.650 2.464) 6.715 2.301 ( 2.000 -2.747 -4.531) 5.663 2.450 ( -15.541 14.526 2.381) 21.405 2.929 ( -1.117 2.395 1.781) 3.187 3.129 ( 8.729 11.608 -1.549) 14.606 3.169 ( 4.920 -6.339 0.834) 8.068 3.616 ( -7.973 -4.193 0.337) 9.015 3.963 ( 8.123 5.684 -6.035) 11.606 4.353 ( -11.708 -6.176 -2.171) 13.414 4.573 ( 5.770 -10.265 2.586) 12.056 4.819 ( -3.513 -4.604 3.069) 6.554 4.985 ( -10.719 -3.387 -8.624) 14.169 5.378 ( -4.030 2.243 -1.563) 4.870 5.470 ( -7.520 5.861 7.760) 12.293 5.644 ( 0.911 -1.104 0.407) 1.488 5.938 ( -0.565 7.630 3.098) 8.254 5.990 ( 6.725 4.179 -5.107) 9.421 6.610 ( 19.799 3.526 -13.423) 24.179 7.260 ( -2.350 -9.471 4.520) 10.754 7.291 ( -1.423 -0.819 1.214) 2.042 7.806 ( 0.600 -5.794 10.973) 12.423 7.996 ( 0.446 -8.113 -5.047) 9.565 8.192 ( 2.038 -1.994 1.193) 3.090 8.373 ( 6.473 -5.520 -5.786) 10.288 8.778 ( -1.892 5.843 3.223) 6.936 8.870 ( 1.222 3.484 -0.072) 3.693 9.152 ( -1.425 10.316 8.261) 13.293 9.398 ( 2.758 12.506 -7.087) 14.636 10.189 ( -12.869 -0.603 -2.700) 13.163 10.427 ( 6.802 -1.727 8.178) 10.776 10.963 ( -4.231 5.813 5.535) 9.073 11.284 ( 4.390 -0.215 -11.800) 12.592 12.556 ( -13.741 -15.809 0.303) 20.949 12.732 ( -1.099 -19.433 7.488) 20.855 15.212 ( -2.272 12.506 -13.163) 18.298 15.233 ( 12.800 21.837 8.635) 26.744 16.380 ( -8.727 -9.347 -9.467) 15.910 16.621 ( 15.964 -8.431 9.322) 20.318 18.985 ( -5.808 2.787 2.831) 7.037 19.128 ( -2.544 -0.862 -5.138) 5.798 ======================= Grid point 396 (208/260) ======================= q-point: (-0.30 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -12.149 12.418 6.404) 18.516 2.041 ( -7.256 -3.597 2.890) 8.599 2.207 ( -1.735 2.947 8.306) 8.983 2.352 ( 0.323 11.397 8.222) 14.057 2.449 ( 8.042 -3.906 9.747) 13.226 2.905 ( -4.131 -1.805 4.654) 6.480 3.207 ( -2.293 8.438 6.935) 11.160 3.337 ( 9.985 -5.085 4.163) 11.954 3.434 ( -10.810 -4.252 -2.446) 11.871 3.997 ( 4.830 9.962 -12.132) 16.424 4.154 ( -6.564 3.953 0.588) 7.685 4.551 ( -9.017 -2.728 -7.513) 12.050 4.774 ( -0.900 -4.320 0.757) 4.477 4.911 ( 4.737 -12.499 7.027) 15.101 5.291 ( -6.830 2.261 4.898) 8.704 5.422 ( -6.115 0.834 -1.298) 6.307 5.556 ( -3.002 0.538 -1.941) 3.615 6.022 ( 1.271 4.616 -0.088) 4.788 6.090 ( 10.514 1.999 -0.229) 10.705 6.808 ( 15.130 1.430 -10.633) 18.548 7.129 ( -7.765 -9.315 -5.556) 13.339 7.322 ( -1.722 -4.023 3.381) 5.530 7.882 ( -0.664 -4.481 -2.231) 5.049 7.958 ( 1.619 -4.469 -0.675) 4.801 8.230 ( 0.483 0.949 1.554) 1.883 8.445 ( 7.863 -4.596 -6.141) 10.985 8.798 ( 3.358 2.463 1.488) 4.422 8.901 ( 1.132 2.223 1.194) 2.765 9.171 ( -2.124 8.663 2.859) 9.366 9.468 ( 7.799 11.802 1.576) 14.234 9.938 ( -11.899 4.844 -3.677) 13.363 10.597 ( 3.360 -1.952 8.549) 9.391 10.939 ( -6.158 4.767 8.494) 11.524 11.266 ( 5.674 -2.502 -10.061) 11.818 12.298 ( -14.699 -10.574 -1.240) 18.149 12.718 ( -9.294 -22.848 7.200) 25.695 14.956 ( -3.703 11.042 -18.208) 21.614 15.579 ( 9.492 11.860 0.225) 15.192 16.224 ( 5.007 -0.897 -1.972) 5.455 17.007 ( 16.601 -6.026 9.241) 19.932 18.870 ( -9.983 2.893 2.134) 10.610 18.990 ( -7.758 -1.020 -4.996) 9.284 ======================= Grid point 397 (209/260) ======================= q-point: (-0.20 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -13.937 12.816 8.976) 20.954 1.989 ( -5.177 2.837 7.713) 9.713 2.237 ( -3.642 5.228 8.110) 10.314 2.386 ( -12.516 1.518 1.450) 12.691 2.627 ( 9.153 -0.542 9.005) 12.852 2.970 ( 1.733 1.435 13.351) 13.539 3.172 ( -10.319 -10.178 1.092) 14.535 3.320 ( 0.765 5.795 11.409) 12.820 3.547 ( 3.641 1.977 13.339) 13.968 3.891 ( -0.461 4.312 -13.524) 14.202 4.189 ( 7.751 11.760 -0.454) 14.092 4.383 ( 0.495 1.546 -6.367) 6.570 4.808 ( 4.785 -5.732 -2.401) 7.843 5.012 ( -4.794 -4.899 7.222) 9.957 5.219 ( -10.163 0.096 -2.369) 10.436 5.268 ( 0.095 0.179 1.043) 1.062 5.597 ( 4.408 -7.611 5.098) 10.165 5.995 ( -2.315 0.142 -2.756) 3.602 6.265 ( 8.706 -2.399 0.547) 9.047 6.849 ( -6.186 -6.112 -8.740) 12.329 6.988 ( 5.579 -1.975 -8.539) 10.389 7.281 ( -5.448 -6.482 1.302) 8.567 7.749 ( -3.323 -0.025 -12.488) 12.923 8.012 ( 0.291 -0.848 0.105) 0.903 8.239 ( -0.037 2.732 2.448) 3.669 8.526 ( 6.937 -3.584 -4.627) 9.077 8.908 ( 4.579 -0.216 0.064) 4.584 8.936 ( 4.952 -0.119 1.067) 5.067 9.162 ( -0.707 8.153 1.504) 8.321 9.595 ( -1.823 0.962 0.650) 2.162 9.797 ( 3.989 16.934 1.221) 17.440 10.684 ( -2.097 -0.061 5.988) 6.344 10.911 ( -5.760 2.626 9.917) 11.765 11.315 ( 8.087 -5.616 -4.442) 10.802 12.042 ( -12.745 -6.597 -2.601) 14.585 12.536 ( -17.500 -21.508 3.872) 27.998 14.765 ( -2.212 7.668 -11.943) 14.364 15.498 ( -3.072 -5.528 -17.594) 18.696 16.577 ( 24.440 12.828 10.214) 29.431 17.339 ( 13.555 -2.880 5.548) 14.927 18.690 ( -12.461 2.652 1.574) 12.837 18.784 ( -11.013 -0.832 -3.570) 11.607 ======================= Grid point 398 (210/260) ======================= q-point: (-0.10 0.25 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -6.027 9.509 10.008) 15.063 1.944 ( -14.647 10.010 14.111) 22.669 2.056 ( -10.328 2.165 -1.518) 10.661 2.351 ( 6.000 6.609 -2.260) 9.208 2.754 ( -3.021 -10.110 2.121) 10.762 3.044 ( 2.119 -1.309 1.625) 2.974 3.174 ( -1.749 -0.718 19.058) 19.152 3.517 ( 7.593 0.825 9.476) 12.171 3.623 ( -6.903 7.651 7.635) 12.825 3.891 ( 8.328 7.369 4.848) 12.131 4.336 ( 7.176 1.140 -0.856) 7.316 4.453 ( 13.020 9.532 -5.806) 17.149 4.852 ( -1.976 -1.805 -0.498) 2.722 4.884 ( -5.447 -2.528 -6.841) 9.103 5.073 ( -7.927 4.699 7.909) 12.144 5.326 ( 6.650 0.551 -3.259) 7.426 5.764 ( 4.186 -17.924 12.128) 22.043 5.903 ( -4.084 -5.749 -3.908) 8.062 6.386 ( 6.223 -8.970 -2.896) 11.295 6.579 ( -11.240 -8.887 -11.483) 18.363 7.046 ( 6.325 1.395 -4.852) 8.093 7.165 ( -8.711 -7.354 0.909) 11.436 7.593 ( -1.637 4.030 -10.131) 11.025 7.902 ( -7.637 3.713 -8.065) 11.711 8.317 ( 3.408 1.063 5.974) 6.960 8.576 ( 2.506 -2.311 -3.080) 4.594 8.951 ( 4.914 0.267 -2.719) 5.622 9.072 ( 4.538 -0.995 1.656) 4.932 9.181 ( 2.205 7.083 1.415) 7.552 9.460 ( -8.456 4.755 -1.033) 9.756 10.034 ( 15.573 12.376 3.066) 20.127 10.600 ( -10.785 3.124 1.375) 11.312 10.982 ( 1.908 -1.525 12.596) 12.831 11.450 ( 7.827 -8.753 2.082) 11.925 11.819 ( -8.889 -3.848 -4.551) 10.702 12.220 ( -19.645 -15.514 0.036) 25.032 14.660 ( -1.836 3.908 -3.480) 5.546 15.276 ( -1.940 -9.573 -19.300) 21.631 17.094 ( 24.045 11.063 6.846) 27.339 17.552 ( 6.000 0.881 2.069) 6.408 18.498 ( -9.974 1.785 1.321) 10.219 18.574 ( -9.571 -0.627 -1.632) 9.730 ======================= Grid point 399 (211/260) ======================= q-point: ( 0.00 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 1.399 6.549 3.440) 7.528 1.917 ( 1.427 2.683 -2.367) 3.852 2.264 ( -1.839 12.397 5.880) 13.844 2.540 ( 4.970 -1.126 1.215) 5.238 2.654 ( 3.755 5.306 1.743) 6.730 2.992 ( -0.083 -2.605 -6.206) 6.731 3.349 ( 1.987 2.526 18.719) 18.992 3.631 ( -1.899 -2.224 15.590) 15.862 3.845 ( 0.469 8.233 -4.804) 9.544 4.155 ( 3.051 1.076 1.755) 3.680 4.416 ( -0.837 -1.737 9.175) 9.376 4.511 ( -5.549 -5.928 1.302) 8.223 4.833 ( 6.946 0.931 -8.351) 10.901 4.912 ( 11.358 6.496 -12.645) 18.196 5.300 ( 6.568 5.999 10.869) 14.045 5.426 ( 1.677 -0.292 1.245) 2.109 5.551 ( -0.546 -8.661 10.708) 13.783 5.695 ( -3.352 0.449 -5.671) 6.603 6.032 ( -3.897 -15.083 -9.684) 18.343 6.067 ( -7.863 -13.889 -9.629) 18.640 6.956 ( -5.538 -0.791 2.121) 5.983 7.061 ( 0.977 -3.709 -2.963) 4.847 7.684 ( 1.489 6.915 -3.028) 7.694 7.774 ( -7.859 3.862 -6.551) 10.936 8.414 ( 1.888 -0.432 2.090) 2.850 8.497 ( -0.635 -3.561 -2.857) 4.610 9.072 ( 6.987 1.265 -0.133) 7.102 9.104 ( -0.550 0.903 -0.800) 1.326 9.363 ( 0.861 4.170 2.024) 4.714 9.414 ( -4.962 2.642 -0.722) 5.668 10.490 ( -9.694 5.328 3.005) 11.463 10.530 ( 10.579 7.645 0.628) 13.068 11.087 ( 0.959 -3.279 13.241) 13.675 11.293 ( -5.421 -9.868 7.077) 13.299 11.648 ( -0.877 -0.797 -3.407) 3.607 11.797 ( 1.291 -7.130 -5.776) 9.266 14.655 ( -1.972 2.366 -4.129) 5.151 14.877 ( -1.339 -8.487 -14.574) 16.918 17.584 ( 6.285 4.319 3.199) 8.270 17.628 ( -3.578 2.502 0.784) 4.436 18.432 ( 0.160 0.420 0.105) 0.462 18.456 ( 0.228 -0.638 -1.064) 1.261 ======================= Grid point 400 (212/260) ======================= q-point: ( 0.10 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 9.851 7.023 0.493) 12.108 2.063 ( 14.803 0.925 -0.355) 14.836 2.293 ( 2.256 10.563 2.920) 11.189 2.601 ( 4.778 0.121 -4.509) 6.571 2.816 ( 8.098 0.333 4.229) 9.142 2.908 ( 1.746 2.995 -7.703) 8.448 3.560 ( 0.461 -1.465 14.676) 14.756 3.708 ( -5.782 0.379 14.988) 16.069 3.756 ( -2.109 6.901 -8.646) 11.261 4.097 ( -1.046 1.019 -13.393) 13.472 4.411 ( -6.981 1.967 4.131) 8.346 4.484 ( -1.625 -1.561 5.477) 5.922 4.871 ( 3.556 0.935 -11.372) 11.951 4.981 ( 8.711 6.042 -8.977) 13.892 5.298 ( -5.107 7.008 -1.983) 8.895 5.468 ( -1.058 -10.987 3.343) 11.533 5.580 ( -2.390 -7.207 -1.393) 7.720 5.831 ( 3.657 -10.364 9.568) 14.572 5.929 ( 8.823 -3.394 3.236) 9.992 5.973 ( 5.838 -10.317 -8.348) 14.498 6.891 ( -5.940 0.195 4.400) 7.395 7.045 ( -0.403 -5.997 -0.997) 6.093 7.584 ( -8.226 7.132 -2.377) 11.143 7.710 ( 1.016 2.718 2.654) 3.933 8.431 ( -1.650 -1.726 -0.290) 2.406 8.466 ( -0.211 -1.950 -0.947) 2.178 9.006 ( -7.271 4.362 -2.339) 8.796 9.134 ( -0.774 -1.838 -2.960) 3.569 9.318 ( -2.511 5.110 1.824) 5.978 9.454 ( 4.233 -0.052 1.861) 4.624 10.324 ( -10.303 11.484 2.245) 15.591 10.731 ( 10.781 1.828 -1.404) 11.024 11.110 ( -11.580 -4.362 8.899) 15.241 11.318 ( 5.067 -6.743 3.717) 9.217 11.645 ( 4.221 1.916 -1.954) 5.030 11.907 ( 12.983 -9.881 -1.298) 16.367 14.605 ( -2.750 0.057 1.271) 3.030 14.764 ( 0.902 -7.561 -7.790) 10.894 17.447 ( -14.855 6.657 -1.582) 16.355 17.583 ( -7.575 0.167 1.364) 7.699 18.526 ( 8.929 0.395 0.409) 8.947 18.559 ( 11.457 -0.814 -1.422) 11.574 ======================= Grid point 401 (213/260) ======================= q-point: ( 0.20 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 4.331 6.741 -0.051) 8.013 2.275 ( 6.255 -0.596 -2.236) 6.669 2.455 ( 14.911 4.995 -1.755) 15.823 2.642 ( 5.742 -0.894 -5.036) 7.690 2.879 ( 5.623 4.835 0.375) 7.425 3.038 ( 11.455 -0.939 -5.276) 12.647 3.516 ( -13.546 0.350 -0.287) 13.553 3.633 ( -10.047 -5.898 1.696) 11.773 3.723 ( 1.033 13.747 2.228) 13.964 3.987 ( 2.491 2.150 -11.844) 12.293 4.359 ( -2.600 3.492 -1.517) 4.610 4.458 ( -5.173 -0.190 3.027) 5.997 4.658 ( -7.372 7.484 -11.814) 15.809 5.108 ( 9.117 0.142 0.239) 9.121 5.301 ( 3.467 6.369 -3.112) 7.891 5.416 ( -4.352 -11.603 -11.237) 16.729 5.498 ( 3.729 -17.900 3.269) 18.575 5.845 ( -2.465 -13.958 -0.173) 14.175 6.159 ( 13.155 4.342 2.063) 14.005 6.274 ( 15.554 0.691 12.619) 20.041 6.813 ( -8.652 2.216 4.758) 10.119 7.035 ( -1.208 -8.417 2.098) 8.758 7.468 ( -5.209 6.949 3.325) 9.300 7.761 ( -0.411 -3.390 6.684) 7.506 8.385 ( -3.077 0.032 -0.601) 3.135 8.426 ( -3.282 0.522 -2.163) 3.965 8.881 ( -4.510 2.239 0.232) 5.040 9.004 ( -8.382 -2.643 -3.176) 9.345 9.329 ( 0.422 5.910 0.953) 6.001 9.540 ( 3.641 -2.686 1.728) 4.844 10.192 ( -6.957 15.831 1.695) 17.375 10.811 ( -1.995 -9.905 -1.805) 10.264 11.033 ( -0.678 8.808 3.617) 9.546 11.405 ( 5.392 -6.393 -5.878) 10.223 11.785 ( 9.892 2.064 4.151) 10.924 12.149 ( 13.110 -13.581 2.382) 19.026 14.578 ( -2.129 0.940 3.067) 3.850 14.792 ( 4.552 -8.277 3.853) 10.202 17.132 ( -17.644 9.904 -4.637) 20.758 17.406 ( -12.227 -3.017 -0.987) 12.632 18.703 ( 10.117 1.156 1.004) 10.232 18.766 ( 13.076 -1.269 -1.525) 13.225 ======================= Grid point 402 (214/260) ======================= q-point: ( 0.30 0.38 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.895 0.451 -1.524) 1.824 2.241 ( -3.923 -2.734 -5.623) 7.381 2.601 ( 5.140 6.072 -7.457) 10.904 2.720 ( 7.249 -0.663 -4.282) 8.445 3.043 ( 2.504 2.910 5.887) 7.028 3.140 ( 6.407 10.317 -11.456) 16.696 3.214 ( -9.412 -2.393 -3.731) 10.404 3.452 ( -4.148 -5.055 -6.850) 9.470 3.760 ( -5.067 7.742 1.995) 9.465 3.884 ( -4.760 3.516 -8.424) 10.295 4.278 ( -0.033 0.676 -5.545) 5.586 4.342 ( -0.812 4.674 -2.181) 5.221 4.662 ( 8.221 1.505 1.369) 8.469 5.105 ( -7.996 -11.202 -8.935) 16.409 5.338 ( 9.235 1.989 2.659) 9.814 5.411 ( 5.552 5.776 -0.760) 8.047 5.637 ( 8.327 -13.553 0.128) 15.907 5.798 ( -2.424 -10.206 0.115) 10.490 6.358 ( 10.494 7.951 -3.623) 13.656 6.628 ( 10.041 -1.295 9.592) 13.946 6.669 ( -10.561 6.458 5.208) 13.430 7.042 ( -1.958 -11.968 4.918) 13.086 7.467 ( -1.716 4.546 8.640) 9.913 7.806 ( -2.456 -8.586 7.856) 11.894 8.280 ( -6.726 3.333 -1.807) 7.721 8.362 ( -1.113 -0.242 -3.594) 3.771 8.847 ( -4.600 -0.361 -0.699) 4.666 8.868 ( -1.676 -0.338 3.772) 4.142 9.331 ( -0.944 7.622 0.775) 7.719 9.608 ( 2.557 -4.395 1.304) 5.250 10.119 ( -3.060 16.267 1.457) 16.616 10.690 ( -8.515 -9.549 -0.386) 12.800 11.098 ( 4.478 9.619 -1.128) 10.670 11.415 ( 4.743 -3.027 -10.198) 11.647 12.007 ( 9.525 -1.325 5.450) 11.053 12.364 ( 8.373 -16.227 2.511) 18.431 14.623 ( 2.208 5.579 8.298) 10.240 14.987 ( 9.322 -10.253 12.122) 18.412 16.769 ( -17.123 12.320 -8.613) 22.785 17.158 ( -13.443 -5.788 -4.641) 15.354 18.877 ( 8.190 1.836 1.758) 8.576 18.959 ( 10.635 -1.501 -1.431) 10.835 ======================= Grid point 403 (215/260) ======================= q-point: ( 0.40 0.38 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -0.601 -3.914 -1.599) 4.270 2.085 ( -6.932 -2.545 -4.872) 8.847 2.524 ( -5.704 4.337 -8.353) 11.005 2.673 ( -8.776 -3.007 -13.943) 16.747 2.927 ( 2.056 6.390 0.510) 6.732 3.057 ( -5.751 -0.858 -0.755) 5.863 3.258 ( 2.977 11.377 -3.845) 12.373 3.424 ( -6.078 1.439 -5.735) 8.479 3.623 ( 5.784 5.030 -2.409) 8.035 3.776 ( -4.425 0.774 2.487) 5.135 4.199 ( -0.147 1.243 -7.900) 7.999 4.463 ( 7.505 -5.148 -0.955) 9.151 4.805 ( 3.266 -5.426 -2.629) 6.857 4.932 ( 2.250 -3.302 -4.000) 5.654 5.470 ( 6.098 7.075 -2.269) 9.612 5.571 ( 5.577 1.612 9.581) 11.202 5.670 ( -3.890 -3.578 -1.082) 5.394 5.837 ( 8.206 -7.849 -3.009) 11.747 6.417 ( -10.807 8.902 2.630) 14.246 6.490 ( 3.686 10.027 -6.752) 12.637 6.894 ( 6.856 -4.074 8.522) 11.672 7.057 ( -1.365 -15.233 5.130) 16.131 7.546 ( -0.159 2.289 10.748) 10.990 7.818 ( -3.566 -10.028 6.469) 12.455 8.173 ( -2.577 2.789 -2.851) 4.749 8.300 ( -0.823 -2.572 -5.613) 6.229 8.813 ( -0.428 3.422 3.525) 4.932 8.905 ( 0.326 -0.152 3.710) 3.727 9.325 ( -1.461 10.011 3.159) 10.599 9.645 ( 0.579 -2.383 0.267) 2.467 10.121 ( 1.414 11.214 2.455) 11.566 10.535 ( -8.570 -6.894 -1.076) 11.052 11.141 ( 2.158 8.427 -2.189) 8.970 11.386 ( 3.354 -1.075 -10.872) 11.428 12.193 ( 6.007 -5.287 5.320) 9.609 12.462 ( 1.086 -16.638 0.874) 16.696 14.824 ( 8.950 11.171 14.346) 20.266 15.321 ( 13.806 -10.696 15.572) 23.398 16.396 ( -14.573 12.735 -12.247) 22.903 16.860 ( -13.605 -8.266 -9.265) 18.419 19.007 ( 4.603 2.268 2.190) 5.579 19.096 ( 6.593 -1.460 -1.608) 6.942 ======================= Grid point 404 (216/260) ======================= q-point: (-0.50 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -3.252 -0.308 2.660) 4.213 2.052 ( 0.853 -5.526 2.269) 6.034 2.292 ( -9.777 0.724 -8.733) 13.129 2.356 ( -10.158 -3.271 -11.887) 15.974 2.974 ( -7.611 5.403 3.782) 10.072 3.005 ( -2.438 -1.391 0.661) 2.884 3.127 ( -9.256 10.762 0.255) 14.197 3.320 ( 7.938 9.561 -5.853) 13.736 3.716 ( -6.585 3.625 2.360) 7.878 3.851 ( 15.036 1.919 -1.290) 15.213 4.168 ( 3.266 -4.682 -3.249) 6.568 4.412 ( -3.739 -13.575 -11.430) 18.136 4.818 ( 0.164 1.877 3.074) 3.606 5.021 ( 4.396 -5.089 -4.327) 7.996 5.530 ( -4.950 2.696 0.422) 5.653 5.556 ( 2.313 2.849 -1.569) 3.991 5.718 ( -0.444 4.426 5.901) 7.389 5.947 ( 8.959 -2.513 -5.552) 10.836 6.211 ( -13.454 12.439 6.961) 19.601 6.563 ( 11.233 7.175 -9.630) 16.444 6.995 ( -3.774 -12.415 7.780) 15.129 7.117 ( 4.419 -11.297 1.768) 12.259 7.644 ( 0.361 0.548 9.758) 9.780 7.818 ( -1.685 -8.395 4.140) 9.511 8.144 ( 2.396 1.302 -3.487) 4.427 8.254 ( 2.582 -3.547 -6.634) 7.953 8.860 ( 0.718 4.079 4.190) 5.891 8.928 ( -0.576 1.097 1.415) 1.881 9.349 ( -1.559 11.818 7.555) 14.112 9.629 ( -0.924 2.662 -2.301) 3.638 10.210 ( 4.090 3.020 5.079) 7.187 10.380 ( -7.112 -3.378 -2.308) 8.205 11.135 ( -1.002 7.549 -0.936) 7.673 11.334 ( 1.961 -0.597 -10.047) 10.254 12.303 ( 0.222 -9.492 5.994) 11.228 12.432 ( -4.031 -14.298 -0.216) 14.857 15.180 ( 14.651 15.164 17.235) 27.233 15.661 ( 7.704 -0.985 4.232) 8.844 16.113 ( -2.554 3.038 -4.241) 5.808 16.528 ( -11.999 -10.074 -13.719) 20.825 19.068 ( -0.023 2.428 2.014) 3.155 19.150 ( 1.607 -1.287 -2.190) 3.006 ======================= Grid point 405 (217/260) ======================= q-point: (-0.40 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -1.295 0.832 6.129) 6.319 2.087 ( -3.522 -2.818 4.667) 6.491 2.104 ( -4.043 -0.256 0.482) 4.079 2.207 ( 3.501 -5.290 0.670) 6.379 2.761 ( -16.487 10.708 5.434) 20.397 2.903 ( -6.502 -0.691 3.491) 7.412 3.138 ( 2.223 4.799 1.959) 5.640 3.468 ( 7.200 1.384 -2.059) 7.616 3.555 ( -9.631 10.834 -0.026) 14.496 4.062 ( 9.839 -0.861 -5.116) 11.123 4.171 ( 0.258 -5.192 -4.457) 6.847 4.346 ( 8.181 -9.747 -3.091) 13.095 4.788 ( -7.010 0.590 2.858) 7.593 4.921 ( -8.874 -3.620 -6.566) 11.618 5.443 ( -2.311 3.366 -1.814) 4.468 5.588 ( -0.920 -2.110 -0.344) 2.327 5.669 ( -8.838 11.532 3.779) 15.012 6.033 ( 7.550 -0.478 -7.378) 10.567 6.143 ( -2.292 11.388 6.979) 13.552 6.687 ( 10.648 0.938 -6.087) 12.300 6.956 ( -5.520 -13.996 2.752) 15.295 7.189 ( 2.360 -9.088 -0.093) 9.390 7.742 ( 1.655 -0.596 8.035) 8.225 7.841 ( 1.637 -5.525 0.517) 5.785 8.182 ( 5.397 0.669 -3.269) 6.345 8.276 ( 6.909 -3.698 -6.536) 10.204 8.882 ( -1.933 3.689 1.567) 4.450 8.925 ( -0.032 1.544 0.436) 1.605 9.386 ( -3.494 10.897 7.821) 13.861 9.599 ( 0.576 4.695 -2.072) 5.164 10.208 ( -6.194 2.949 -1.110) 6.949 10.384 ( 5.584 -2.677 5.236) 8.110 11.096 ( -3.819 6.471 2.082) 7.797 11.272 ( 0.780 -1.180 -8.440) 8.558 12.265 ( -9.251 -9.814 3.244) 13.872 12.381 ( -3.397 -13.482 3.114) 14.248 15.481 ( -5.483 12.353 -11.540) 17.772 15.625 ( 11.577 13.740 3.860) 18.377 16.186 ( -4.357 -7.404 -6.385) 10.704 16.415 ( 16.838 -10.748 8.719) 21.795 19.040 ( -4.969 2.328 1.343) 5.650 19.108 ( -3.750 -1.040 -2.858) 4.828 ======================= Grid point 406 (218/260) ======================= q-point: (-0.30 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -4.072 -0.315 1.704) 4.425 2.008 ( -4.203 3.312 6.975) 8.791 2.223 ( -0.422 0.727 12.516) 12.544 2.365 ( 4.485 -4.373 10.584) 12.299 2.630 ( -5.260 11.734 10.255) 16.448 2.880 ( -3.179 -1.236 8.358) 9.027 3.173 ( 1.460 -2.530 1.114) 3.126 3.265 ( -15.276 -3.733 -1.170) 15.769 3.628 ( 4.195 15.784 3.883) 16.787 4.033 ( -2.741 -3.967 -4.001) 6.265 4.271 ( 13.781 5.327 -8.812) 17.203 4.492 ( 7.576 -7.778 -3.147) 11.304 4.655 ( -10.747 -2.358 0.718) 11.026 4.732 ( -4.174 -5.057 3.424) 7.397 5.391 ( -1.670 4.151 -3.102) 5.445 5.461 ( -10.617 2.099 -2.480) 11.103 5.586 ( -4.807 7.614 3.709) 9.738 6.064 ( 4.619 -1.559 -9.647) 10.809 6.195 ( 0.952 7.284 4.070) 8.398 6.737 ( -5.788 -15.951 2.109) 17.099 6.921 ( 6.284 0.058 -6.711) 9.194 7.193 ( -0.796 -7.791 -1.577) 7.989 7.830 ( 2.127 -0.555 -0.640) 2.290 7.882 ( 4.061 -2.549 0.800) 4.861 8.259 ( 5.390 1.511 -1.274) 5.741 8.357 ( 8.844 -3.546 -6.224) 11.381 8.858 ( 0.012 2.842 -0.509) 2.887 8.926 ( -0.441 0.138 0.160) 0.489 9.367 ( -3.752 9.179 3.261) 10.439 9.605 ( -0.343 0.667 0.934) 1.198 10.125 ( -1.525 12.091 -0.138) 12.187 10.530 ( 4.243 -4.837 6.688) 9.280 11.047 ( -6.167 5.132 5.842) 9.925 11.211 ( 0.352 -2.637 -6.138) 6.690 12.106 ( -10.852 -6.002 1.231) 12.462 12.316 ( -8.675 -14.979 4.247) 17.823 15.189 ( -6.266 10.977 -19.780) 23.474 15.615 ( -6.356 -6.443 -16.195) 18.553 16.360 ( 20.159 11.801 11.019) 25.828 16.846 ( 19.321 -9.091 10.846) 23.949 18.924 ( -9.373 2.045 0.559) 9.610 18.973 ( -8.542 -0.694 -3.047) 9.096 ======================= Grid point 407 (219/260) ======================= q-point: (-0.20 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -10.936 8.833 7.666) 16.012 2.065 ( 2.544 2.648 6.902) 7.818 2.312 ( -3.214 2.145 9.304) 10.074 2.390 ( -8.708 -0.880 3.804) 9.543 2.679 ( -3.540 4.561 9.659) 11.253 2.952 ( -3.939 -8.150 6.559) 11.178 3.049 ( 0.095 4.596 7.622) 8.901 3.318 ( 5.466 -4.874 10.019) 12.410 3.736 ( 2.762 13.708 9.237) 16.758 3.929 ( -4.375 1.923 -2.594) 5.437 4.424 ( 0.035 2.939 -4.005) 4.968 4.443 ( 7.850 6.256 -5.728) 11.557 4.622 ( 6.919 -10.196 -4.609) 13.155 4.821 ( 1.551 -12.329 11.727) 17.086 5.254 ( -8.028 5.346 -4.431) 10.615 5.328 ( -1.831 4.154 -3.356) 5.646 5.544 ( -3.854 3.528 3.460) 6.266 6.008 ( -0.174 -1.753 -10.392) 10.541 6.217 ( -0.789 -0.729 -0.625) 1.243 6.576 ( -12.118 -16.558 -0.219) 20.520 6.998 ( 7.530 1.575 -5.836) 9.656 7.138 ( -3.667 -5.730 -1.807) 7.039 7.794 ( 0.829 3.716 -9.781) 10.496 7.972 ( 3.303 -3.004 0.251) 4.471 8.316 ( 1.801 3.827 -0.157) 4.233 8.453 ( 7.494 -3.243 -4.345) 9.250 8.901 ( 4.523 -0.188 -0.317) 4.538 8.925 ( 2.047 -0.869 -0.387) 2.257 9.341 ( -1.845 8.289 2.185) 8.769 9.584 ( -2.787 -2.211 0.382) 3.578 10.165 ( 4.704 16.631 2.286) 17.434 10.638 ( 0.675 -4.739 6.295) 7.909 10.989 ( -7.662 4.353 7.931) 11.856 11.193 ( 1.922 -5.550 -1.036) 5.964 11.926 ( -9.924 -3.181 -1.052) 10.474 12.157 ( -13.079 -13.998 2.571) 19.329 14.934 ( -3.488 8.336 -16.956) 19.213 15.325 ( -6.019 -9.580 -19.694) 22.713 16.854 ( 23.433 12.332 10.087) 28.336 17.245 ( 16.840 -5.973 7.243) 19.281 18.738 ( -12.101 1.728 0.031) 12.224 18.772 ( -11.328 -0.374 -2.437) 11.593 ======================= Grid point 408 (220/260) ======================= q-point: (-0.10 0.38 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -8.456 9.989 6.925) 14.807 2.059 ( -11.889 -0.341 -3.231) 12.325 2.215 ( -1.297 10.800 9.671) 14.556 2.436 ( 2.824 -0.448 4.464) 5.301 2.649 ( -3.806 2.744 2.336) 5.241 2.962 ( 3.352 -6.406 2.551) 7.667 3.216 ( -2.614 5.282 16.959) 17.954 3.489 ( 3.680 -3.013 10.932) 11.922 3.840 ( -0.312 10.494 2.364) 10.761 3.976 ( 8.432 2.202 9.272) 12.724 4.375 ( -3.615 1.857 6.840) 7.957 4.545 ( 5.526 -3.271 -6.304) 8.998 4.740 ( 10.883 -5.582 -5.107) 13.254 4.888 ( 0.409 0.355 -1.738) 1.820 5.171 ( 0.251 2.918 2.657) 3.955 5.312 ( 4.144 -0.041 -0.544) 4.180 5.524 ( -3.428 -0.758 5.911) 6.875 5.873 ( -4.590 0.759 -9.938) 10.973 6.153 ( -2.934 -11.494 -5.627) 13.129 6.336 ( -12.443 -12.788 -5.488) 18.667 7.044 ( -4.557 -2.481 -0.795) 5.249 7.054 ( 3.108 -1.339 -3.706) 5.018 7.716 ( 0.905 7.027 -8.574) 11.122 7.944 ( -3.385 -0.688 -6.621) 7.468 8.354 ( 2.091 2.629 2.286) 4.063 8.511 ( 2.709 -3.612 -2.938) 5.386 8.959 ( 5.566 0.787 -0.979) 5.706 9.034 ( 6.514 -2.208 1.477) 7.035 9.341 ( -0.376 7.335 1.595) 7.516 9.517 ( -4.982 0.288 -0.454) 5.011 10.315 ( 9.732 12.942 2.496) 16.384 10.634 ( -7.113 -0.776 3.861) 8.131 10.976 ( -2.647 1.748 11.064) 11.509 11.253 ( 1.937 -9.360 5.052) 10.811 11.755 ( -6.862 -1.507 -3.934) 8.052 11.940 ( -11.708 -10.511 -1.088) 15.772 14.758 ( -1.979 5.355 -11.091) 12.474 15.069 ( -3.309 -9.368 -18.164) 20.704 17.307 ( 19.341 8.673 6.124) 22.064 17.539 ( 10.481 -2.207 3.677) 11.324 18.533 ( -10.504 1.331 -0.090) 10.589 18.563 ( -9.802 -0.399 -1.457) 9.917 ======================= Grid point 409 (221/260) ======================= q-point: ( 0.00 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 2.219 -4.515 -1.943) 5.393 1.894 ( 2.219 4.515 -1.943) 5.393 2.456 ( 0.658 -5.604 7.026) 9.011 2.456 ( 0.658 5.604 7.026) 9.011 2.857 ( 2.776 -9.729 -1.342) 10.206 2.857 ( 2.776 9.729 -1.342) 10.206 3.488 ( -1.106 -9.008 15.820) 18.238 3.488 ( -1.106 9.008 15.820) 18.238 4.061 ( 4.170 -9.690 -7.944) 13.206 4.061 ( 4.170 9.690 -7.944) 13.206 4.412 ( -4.927 -2.470 12.295) 13.473 4.412 ( -4.927 2.470 12.295) 13.473 4.894 ( 8.313 -5.505 -8.574) 13.150 4.894 ( 8.313 5.505 -8.574) 13.150 5.357 ( 7.341 -4.850 4.673) 9.962 5.357 ( 7.341 4.850 4.673) 9.962 5.697 ( 1.449 -13.038 -0.903) 13.150 5.697 ( 1.449 13.038 -0.903) 13.150 5.825 ( -12.296 -9.059 -7.811) 17.155 5.825 ( -12.296 9.059 -7.811) 17.155 6.983 ( -2.264 -2.976 -1.394) 3.991 6.983 ( -2.264 2.976 -1.394) 3.991 7.792 ( -2.586 -2.497 -4.509) 5.766 7.792 ( -2.586 2.497 -4.509) 5.766 8.429 ( 0.375 -2.234 -1.220) 2.573 8.429 ( 0.375 2.234 -1.220) 2.573 9.098 ( 4.373 -1.027 -0.021) 4.492 9.098 ( 4.373 1.027 -0.021) 4.492 9.429 ( -3.132 -1.423 0.630) 3.497 9.429 ( -3.132 1.423 0.630) 3.497 10.585 ( -0.168 -2.423 3.164) 3.989 10.585 ( -0.168 2.423 3.164) 3.989 11.114 ( -2.229 -6.046 9.935) 11.842 11.114 ( -2.229 6.046 9.935) 11.842 11.679 ( 0.891 -3.676 -5.345) 6.547 11.679 ( 0.891 3.676 -5.345) 6.547 14.734 ( -1.793 -5.119 -10.088) 11.454 14.734 ( -1.793 5.119 -10.088) 11.454 17.642 ( 1.365 -1.073 2.194) 2.797 17.642 ( 1.365 1.073 2.194) 2.797 18.442 ( -0.008 -0.588 -0.686) 0.903 18.442 ( -0.008 0.588 -0.686) 0.903 ======================= Grid point 411 (222/260) ======================= q-point: ( 0.10 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 13.317 -4.283 -1.829) 14.108 2.028 ( 13.317 4.283 -1.829) 14.108 2.501 ( 0.220 -8.104 1.880) 8.322 2.501 ( 0.220 8.104 1.880) 8.322 2.899 ( 5.092 -4.511 -2.475) 7.239 2.899 ( 5.092 4.511 -2.475) 7.239 3.591 ( -4.654 -4.620 13.699) 15.187 3.591 ( -4.654 4.620 13.699) 15.187 4.016 ( 3.236 -9.766 -13.043) 16.613 4.016 ( 3.236 9.766 -13.043) 16.613 4.441 ( -4.041 -1.480 8.976) 9.955 4.441 ( -4.041 1.480 8.976) 9.955 4.937 ( 6.813 -6.196 -8.881) 12.794 4.937 ( 6.813 6.196 -8.881) 12.794 5.387 ( -8.794 -6.273 -4.691) 11.777 5.387 ( -8.794 6.273 -4.691) 11.777 5.571 ( -3.060 -10.692 -1.133) 11.179 5.571 ( -3.060 10.692 -1.133) 11.179 5.908 ( 15.229 -2.395 6.347) 16.672 5.908 ( 15.229 2.395 6.347) 16.672 6.932 ( -3.352 -3.935 1.058) 5.277 6.932 ( -3.352 3.935 1.058) 5.277 7.703 ( -4.734 -3.425 -0.415) 5.858 7.703 ( -4.734 3.425 -0.415) 5.858 8.424 ( 0.089 -1.224 -0.766) 1.447 8.424 ( 0.089 1.224 -0.766) 1.447 9.084 ( -4.581 -2.978 -3.179) 6.321 9.084 ( -4.581 2.978 -3.179) 6.321 9.413 ( 0.116 -3.538 2.549) 4.362 9.413 ( 0.116 3.538 2.549) 4.362 10.587 ( -2.942 -12.099 2.519) 12.704 10.587 ( -2.942 12.099 2.519) 12.704 11.169 ( 0.593 -6.901 5.364) 8.760 11.169 ( 0.593 6.901 5.364) 8.760 11.730 ( 8.963 -6.319 -2.638) 11.279 11.730 ( 8.963 6.319 -2.638) 11.279 14.645 ( -1.002 -3.711 -3.530) 5.219 14.645 ( -1.002 3.711 -3.530) 5.219 17.551 ( -11.272 -3.151 -0.048) 11.704 17.551 ( -11.272 3.151 -0.048) 11.704 18.540 ( 10.214 -0.849 -0.417) 10.258 18.540 ( 10.214 0.849 -0.417) 10.258 ======================= Grid point 413 (223/260) ======================= q-point: ( 0.20 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.150 -6.838 -1.455) 7.668 2.184 ( 3.150 6.838 -1.455) 7.668 2.572 ( 9.633 -5.252 -2.440) 11.240 2.572 ( 9.633 5.252 -2.440) 11.240 2.990 ( 9.004 -4.240 -3.639) 10.597 2.990 ( 9.004 4.240 -3.639) 10.597 3.537 ( -10.820 -2.498 2.337) 11.348 3.537 ( -10.820 2.498 2.337) 11.348 3.960 ( 0.921 -6.054 -5.746) 8.397 3.960 ( 0.921 6.054 -5.746) 8.397 4.411 ( -4.411 -2.632 -0.982) 5.230 4.411 ( -4.411 2.632 -0.982) 5.230 4.937 ( 0.857 -16.368 -8.934) 18.667 4.937 ( 0.857 16.368 -8.934) 18.667 5.244 ( 1.504 -4.353 -0.364) 4.620 5.244 ( 1.504 4.353 -0.364) 4.620 5.564 ( 0.305 -12.060 1.224) 12.126 5.564 ( 0.305 12.060 1.224) 12.126 6.255 ( 16.109 -3.181 6.129) 17.526 6.255 ( 16.109 3.181 6.129) 17.526 6.884 ( -4.899 -5.254 3.545) 8.011 6.884 ( -4.899 5.254 3.545) 8.011 7.633 ( -5.069 -7.843 4.074) 10.188 7.633 ( -5.069 7.843 4.074) 10.188 8.409 ( -1.317 -1.694 -1.158) 2.438 8.409 ( -1.317 1.694 -1.158) 2.438 8.939 ( -7.187 -3.143 -2.171) 8.139 8.939 ( -7.187 3.143 -2.171) 8.139 9.452 ( 1.135 -5.284 2.327) 5.884 9.452 ( 1.135 5.284 2.327) 5.884 10.531 ( -5.540 -15.311 1.881) 16.391 10.531 ( -5.540 15.311 1.881) 16.391 11.235 ( 4.746 -9.129 -1.500) 10.398 11.235 ( 4.746 9.129 -1.500) 10.398 11.904 ( 10.740 -8.918 1.278) 14.018 11.904 ( 10.740 8.918 1.278) 14.018 14.646 ( 1.426 -5.246 3.830) 6.650 14.646 ( 1.426 5.246 3.830) 6.650 17.306 ( -14.924 -6.424 -2.823) 16.492 17.306 ( -14.924 6.424 -2.823) 16.492 18.734 ( 11.594 -1.609 -0.023) 11.705 18.734 ( 11.594 1.609 -0.023) 11.705 ======================= Grid point 415 (224/260) ======================= q-point: ( 0.30 -0.50 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -4.166 -5.463 -3.006) 7.499 2.137 ( -4.166 5.463 -3.006) 7.499 2.691 ( 6.106 -2.601 -6.211) 9.090 2.691 ( 6.106 2.601 -6.211) 9.090 3.127 ( 1.614 -4.444 1.323) 4.910 3.127 ( 1.614 4.444 1.323) 4.910 3.329 ( -0.530 -6.673 -10.723) 12.641 3.329 ( -0.530 6.673 -10.723) 12.641 3.888 ( -8.407 -3.223 -0.273) 9.008 3.888 ( -8.407 3.223 -0.273) 9.008 4.336 ( 1.025 -4.592 -4.491) 6.505 4.336 ( 1.025 4.592 -4.491) 6.505 4.841 ( -0.242 -13.363 -8.251) 15.706 4.841 ( -0.242 13.363 -8.251) 15.706 5.406 ( 10.965 -6.435 5.476) 13.843 5.406 ( 10.965 6.435 5.476) 13.843 5.589 ( 0.865 -9.334 1.405) 9.479 5.589 ( 0.865 9.334 1.405) 9.479 6.532 ( 11.630 -7.418 0.561) 13.806 6.532 ( 11.630 7.418 0.561) 13.806 6.824 ( -6.557 -8.383 5.230) 11.858 6.824 ( -6.557 8.383 5.230) 11.858 7.611 ( -3.916 -8.758 8.006) 12.496 7.611 ( -3.916 8.758 8.006) 12.496 8.341 ( -3.943 -2.009 -3.492) 5.637 8.341 ( -3.943 2.009 -3.492) 5.637 8.852 ( -2.245 -0.758 1.833) 2.996 8.852 ( -2.245 0.758 1.833) 2.996 9.489 ( 0.588 -6.785 2.516) 7.260 9.489 ( 0.588 6.785 2.516) 7.260 10.444 ( -5.758 -13.729 0.880) 14.913 10.444 ( -5.758 13.729 0.880) 14.913 11.291 ( 5.151 -8.077 -5.526) 11.059 11.291 ( 5.151 8.077 -5.526) 11.059 12.088 ( 7.900 -8.994 2.413) 12.212 12.088 ( 7.900 8.994 2.413) 12.212 14.780 ( 6.472 -8.859 11.104) 15.609 14.780 ( 6.472 8.859 11.104) 15.609 16.998 ( -15.475 -9.182 -6.764) 19.223 16.998 ( -15.475 9.182 -6.764) 19.223 18.920 ( 9.428 -2.100 0.429) 9.669 18.920 ( 9.428 2.100 0.429) 9.669 ======================= Grid point 417 (225/260) ======================= q-point: ( 0.40 -0.50 -0.60) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -4.482 -1.755 -2.510) 5.429 2.028 ( -4.482 1.755 -2.510) 5.429 2.602 ( -8.008 -3.335 -11.721) 14.582 2.602 ( -8.008 3.335 -11.721) 14.582 3.018 ( -3.283 -3.382 0.823) 4.784 3.018 ( -3.283 3.382 0.823) 4.784 3.410 ( 4.989 -3.065 -6.377) 8.657 3.410 ( 4.989 3.065 -6.377) 8.657 3.742 ( -3.336 -4.321 2.422) 5.972 3.742 ( -3.336 4.321 2.422) 5.972 4.301 ( -0.622 -7.653 -8.581) 11.515 4.301 ( -0.622 7.653 -8.581) 11.515 4.835 ( 5.235 -5.549 -2.404) 7.999 4.835 ( 5.235 5.549 -2.404) 7.999 5.598 ( -0.885 -3.339 3.383) 4.835 5.598 ( -0.885 3.339 3.383) 4.835 5.655 ( 11.282 -7.746 1.299) 13.747 5.655 ( 11.282 7.746 1.299) 13.747 6.614 ( -3.677 -4.220 1.150) 5.715 6.614 ( -3.677 4.220 1.150) 5.715 6.812 ( 2.943 -1.879 1.611) 3.845 6.812 ( 2.943 1.879 1.611) 3.845 7.638 ( -2.521 -6.510 9.278) 11.611 7.638 ( -2.521 6.510 9.278) 11.611 8.239 ( -2.231 -3.149 -5.231) 6.501 8.239 ( -2.231 3.149 -5.231) 6.501 8.876 ( 0.913 -2.385 3.798) 4.577 8.876 ( 0.913 2.385 3.798) 4.577 9.525 ( 0.161 -8.162 4.276) 9.216 9.525 ( 0.161 8.162 4.276) 9.216 10.358 ( -4.382 -10.042 -0.268) 10.960 10.358 ( -4.382 10.042 -0.268) 10.960 11.305 ( 3.051 -6.416 -6.600) 9.697 11.305 ( 3.051 6.416 -6.600) 9.697 12.204 ( 2.900 -6.813 2.157) 7.712 12.204 ( 2.900 6.813 2.157) 7.712 15.073 ( 12.536 -12.066 16.243) 23.803 15.073 ( 12.536 12.066 16.243) 23.803 16.653 ( -14.753 -11.122 -11.371) 21.694 16.653 ( -14.753 11.122 -11.371) 21.694 19.056 ( 5.607 -2.200 0.528) 6.046 19.056 ( 5.607 2.200 0.528) 6.046 ======================= Grid point 419 (226/260) ======================= q-point: (-0.50 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -1.142 -1.566 3.036) 3.602 1.974 ( -1.142 1.566 3.036) 3.602 2.307 ( -10.664 -1.243 -10.856) 15.269 2.307 ( -10.664 1.243 -10.856) 15.269 3.009 ( -4.647 -0.592 2.778) 5.446 3.009 ( -4.647 0.592 2.778) 5.446 3.325 ( -3.735 -6.409 -0.343) 7.426 3.325 ( -3.735 6.409 -0.343) 7.426 3.844 ( 7.026 -4.395 0.618) 8.310 3.844 ( 7.026 4.395 0.618) 8.310 4.179 ( -0.861 -6.588 -9.626) 11.696 4.179 ( -0.861 6.588 -9.626) 11.696 4.902 ( 1.974 -5.538 -1.278) 6.016 4.902 ( 1.974 5.538 -1.278) 6.016 5.575 ( -3.270 -1.372 0.815) 3.638 5.575 ( -3.270 1.372 0.815) 3.638 5.838 ( 9.083 -6.542 -1.183) 11.256 5.838 ( 9.083 6.542 -1.183) 11.256 6.521 ( -9.047 -13.856 6.121) 17.644 6.521 ( -9.047 13.856 6.121) 17.644 6.896 ( 6.510 -7.592 -3.129) 10.480 6.896 ( 6.510 7.592 -3.129) 10.480 7.690 ( -0.687 -3.873 7.947) 8.867 7.690 ( -0.687 3.873 7.947) 8.867 8.188 ( 2.478 -2.676 -5.964) 6.991 8.188 ( 2.478 2.676 -5.964) 6.991 8.922 ( 0.371 -1.668 2.727) 3.218 8.922 ( 0.371 1.668 2.727) 3.218 9.567 ( -1.126 -7.676 5.761) 9.663 9.567 ( -1.126 7.676 5.761) 9.663 10.299 ( -1.618 -4.403 -0.599) 4.729 10.299 ( -1.618 4.403 -0.599) 4.729 11.277 ( 0.225 -5.090 -5.517) 7.510 11.277 ( 0.225 5.090 -5.517) 7.510 12.232 ( -1.783 -3.442 2.294) 4.504 12.232 ( -1.783 3.442 2.294) 4.504 15.481 ( 15.595 -12.741 16.498) 26.033 15.481 ( 15.595 12.741 16.498) 26.033 16.298 ( -11.404 -11.136 -14.431) 21.502 16.298 ( -11.404 11.136 -14.431) 21.502 19.115 ( 0.768 -1.989 0.102) 2.134 19.115 ( 0.768 1.989 0.102) 2.134 ======================= Grid point 421 (227/260) ======================= q-point: (-0.40 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -1.710 -1.866 5.693) 6.230 2.035 ( -1.710 1.866 5.693) 6.230 2.121 ( -0.160 -2.179 0.971) 2.391 2.121 ( -0.160 2.179 0.971) 2.391 2.882 ( -10.914 -2.304 5.049) 12.244 2.882 ( -10.914 2.304 5.049) 12.244 3.316 ( -2.299 -9.464 1.004) 9.790 3.316 ( -2.299 9.464 1.004) 9.790 3.871 ( -0.304 -12.616 -1.844) 12.754 3.871 ( -0.304 12.616 -1.844) 12.754 4.203 ( 10.513 -3.962 -5.432) 12.480 4.203 ( 10.513 3.962 -5.432) 12.480 4.834 ( -7.760 -3.760 -2.012) 8.854 4.834 ( -7.760 3.760 -2.012) 8.854 5.516 ( -3.369 -3.628 -0.703) 5.000 5.516 ( -3.369 3.628 -0.703) 5.000 5.932 ( 4.533 -9.653 -4.787) 11.689 5.932 ( 4.533 9.653 -4.787) 11.689 6.439 ( -7.803 -16.745 7.832) 20.065 6.439 ( -7.803 16.745 7.832) 20.065 6.970 ( 6.114 -9.547 -4.401) 12.161 6.970 ( 6.114 9.547 -4.401) 12.161 7.761 ( 1.848 -2.263 5.305) 6.057 7.761 ( 1.848 2.263 5.305) 6.057 8.213 ( 6.621 -2.206 -5.900) 9.138 8.213 ( 6.621 2.206 -5.900) 9.138 8.931 ( -1.088 -0.966 0.808) 1.664 8.931 ( -1.088 0.966 0.808) 1.664 9.576 ( -3.496 -6.053 4.298) 8.205 9.576 ( -3.496 6.053 4.298) 8.205 10.303 ( 1.824 -4.901 1.199) 5.365 10.303 ( 1.824 4.901 1.199) 5.365 11.217 ( -2.432 -4.328 -2.983) 5.792 11.217 ( -2.432 4.328 -2.983) 5.792 12.191 ( -5.460 -3.271 2.667) 6.901 12.191 ( -5.460 3.271 2.667) 6.901 15.703 ( -3.733 -6.673 -8.453) 11.398 15.703 ( -3.733 6.673 -8.453) 11.398 16.192 ( 13.081 -8.476 5.677) 16.589 16.192 ( 13.081 8.476 5.677) 16.589 19.081 ( -4.398 -1.560 -0.625) 4.708 19.081 ( -4.398 1.560 -0.625) 4.708 ======================= Grid point 423 (228/260) ======================= q-point: (-0.30 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -1.190 -1.743 3.688) 4.249 2.012 ( -1.190 1.743 3.688) 4.249 2.270 ( 1.687 -3.764 13.444) 14.063 2.270 ( 1.687 3.764 13.444) 14.063 2.815 ( -4.306 -5.621 10.416) 12.594 2.815 ( -4.306 5.621 10.416) 12.594 3.190 ( -9.247 -2.898 -1.774) 9.851 3.190 ( -9.247 2.898 -1.774) 9.851 3.910 ( 3.249 -8.859 2.269) 9.705 3.910 ( 3.249 8.859 2.269) 9.705 4.348 ( 11.367 -3.539 -5.870) 13.274 4.348 ( 11.367 3.539 -5.870) 13.274 4.652 ( -10.359 -1.914 0.627) 10.554 4.652 ( -10.359 1.914 0.627) 10.553 5.443 ( -3.383 -1.987 -2.918) 4.889 5.443 ( -3.383 1.987 -2.918) 4.889 5.903 ( -1.137 -14.839 -6.800) 16.363 5.903 ( -1.137 14.839 -6.800) 16.363 6.385 ( -6.645 -12.319 6.127) 15.279 6.385 ( -6.645 12.319 6.127) 15.279 7.023 ( 4.680 -7.322 -4.465) 9.770 7.023 ( 4.680 7.322 -4.465) 9.770 7.842 ( 3.651 -1.340 1.010) 4.018 7.842 ( 3.651 1.340 1.010) 4.018 8.297 ( 8.122 -2.205 -4.476) 9.532 8.297 ( 8.122 2.205 -4.476) 9.532 8.908 ( -1.071 -1.732 -0.804) 2.189 8.908 ( -1.071 1.732 -0.804) 2.189 9.536 ( -3.972 -6.235 2.212) 7.717 9.536 ( -3.972 6.235 2.212) 7.717 10.374 ( 3.443 -10.013 3.487) 11.148 10.374 ( 3.443 10.013 3.487) 11.148 11.145 ( -4.296 -3.861 0.310) 5.784 11.145 ( -4.296 3.861 0.310) 5.784 12.094 ( -8.394 -5.298 2.221) 10.172 12.094 ( -8.394 5.298 2.221) 10.172 15.420 ( -8.189 -10.582 -19.578) 23.714 15.420 ( -8.189 10.582 -19.578) 23.714 16.623 ( 21.415 -11.833 12.018) 27.259 16.623 ( 21.415 11.833 12.018) 27.259 18.956 ( -8.956 -1.041 -1.207) 9.097 18.956 ( -8.956 1.041 -1.207) 9.097 ======================= Grid point 425 (229/260) ======================= q-point: (-0.20 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -2.644 -4.594 6.241) 8.188 2.043 ( -2.644 4.594 6.241) 8.188 2.355 ( -3.426 -2.120 9.470) 10.291 2.355 ( -3.426 2.120 9.470) 10.291 2.796 ( -8.007 -6.349 5.833) 11.766 2.796 ( -8.007 6.349 5.833) 11.766 3.185 ( 5.845 -7.022 10.122) 13.636 3.185 ( 5.845 7.022 10.122) 13.636 3.949 ( -1.605 -3.269 3.216) 4.858 3.949 ( -1.605 3.269 3.216) 4.858 4.458 ( 3.766 -1.083 -3.953) 5.567 4.458 ( 3.766 1.083 -3.953) 5.567 4.580 ( 2.965 -7.933 3.779) 9.273 4.580 ( 2.965 7.933 3.779) 9.273 5.347 ( -2.830 -2.545 -5.653) 6.815 5.347 ( -2.830 2.545 -5.653) 6.815 5.802 ( -2.594 -16.257 -6.362) 17.649 5.802 ( -2.594 16.257 -6.362) 17.649 6.295 ( -8.842 -8.174 1.994) 12.205 6.295 ( -8.842 8.174 1.994) 12.205 7.045 ( 2.254 -3.114 -3.839) 5.433 7.045 ( 2.254 3.114 -3.839) 5.433 7.888 ( 3.049 -4.660 -4.348) 7.066 7.888 ( 3.049 4.660 -4.348) 7.066 8.388 ( 5.371 -3.021 -2.275) 6.569 8.388 ( 5.371 3.021 -2.275) 6.569 8.906 ( 2.601 -0.689 -0.926) 2.845 8.906 ( 2.601 0.689 -0.926) 2.845 9.496 ( -2.496 -5.953 1.526) 6.633 9.496 ( -2.496 5.953 1.526) 6.633 10.468 ( 2.851 -11.372 4.369) 12.512 10.468 ( 2.851 11.372 4.369) 12.512 11.085 ( -4.564 -4.713 3.986) 7.676 11.085 ( -4.564 4.713 3.986) 7.676 11.947 ( -9.755 -5.545 0.240) 11.224 11.947 ( -9.755 5.545 0.240) 11.224 15.121 ( -5.271 -9.337 -19.185) 21.978 15.121 ( -5.271 9.337 -19.185) 21.978 17.084 ( 20.252 -9.233 8.745) 23.914 17.084 ( 20.252 9.233 8.745) 23.914 18.762 ( -11.688 -0.667 -1.317) 11.781 18.762 ( -11.688 0.667 -1.317) 11.781 ======================= Grid point 427 (230/260) ======================= q-point: (-0.10 -0.50 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -8.408 -7.028 1.235) 11.027 1.974 ( -8.408 7.028 1.235) 11.027 2.380 ( -1.289 -4.521 8.193) 9.446 2.380 ( -1.289 4.521 8.193) 9.446 2.795 ( 2.441 -8.583 3.389) 9.545 2.795 ( 2.441 8.583 3.389) 9.545 3.372 ( 0.339 -7.765 13.509) 15.585 3.372 ( 0.339 7.765 13.509) 15.585 3.991 ( 3.796 -2.854 3.724) 6.035 3.991 ( 3.796 2.854 3.724) 6.035 4.427 ( -4.758 -5.028 3.553) 7.781 4.427 ( -4.758 5.028 3.553) 7.781 4.758 ( 11.720 -7.291 -0.172) 13.804 4.758 ( 11.720 7.291 -0.172) 13.804 5.272 ( 1.290 -4.949 -4.739) 6.972 5.272 ( 1.290 4.949 -4.739) 6.972 5.718 ( -0.955 -14.368 -4.472) 15.078 5.718 ( -0.955 14.368 -4.472) 15.078 6.107 ( -12.484 -7.418 -3.063) 14.841 6.107 ( -12.484 7.418 -3.063) 14.841 7.029 ( -0.444 -0.775 -2.947) 3.080 7.029 ( -0.444 0.775 -2.947) 3.080 7.865 ( 0.426 -6.175 -6.661) 9.093 7.865 ( 0.426 6.175 -6.661) 9.093 8.428 ( 1.539 -4.031 -1.475) 4.560 8.428 ( 1.539 4.031 -1.475) 4.560 8.988 ( 6.471 -1.914 0.590) 6.774 8.988 ( 6.471 1.914 0.590) 6.774 9.471 ( -2.118 -4.455 0.735) 4.987 9.471 ( -2.118 4.455 0.735) 4.987 10.543 ( 1.240 -7.847 4.010) 8.899 10.543 ( 1.240 7.847 4.010) 8.899 11.073 ( -3.134 -7.067 7.933) 11.077 11.073 ( -3.134 7.067 7.933) 11.077 11.781 ( -7.216 -4.317 -3.021) 8.936 11.781 ( -7.216 4.317 -3.021) 8.936 14.891 ( -2.856 -7.281 -15.535) 17.393 14.891 ( -2.856 7.281 -15.535) 17.393 17.457 ( 14.839 -5.465 5.037) 16.596 17.457 ( 14.839 5.465 5.037) 16.596 18.553 ( -10.290 -0.636 -1.032) 10.362 18.553 ( -10.290 0.636 -1.032) 10.362 ======================= Grid point 459 (231/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -6.757 0.000 -1.045) 6.838 1.833 ( 6.757 0.000 1.045) 6.838 2.101 ( 10.972 0.000 -10.871) 15.446 2.101 ( -10.972 0.000 10.871) 15.446 3.060 ( -3.779 0.000 -0.554) 3.819 3.060 ( 3.779 0.000 0.554) 3.819 3.396 ( 0.472 0.000 -1.627) 1.694 3.396 ( -0.472 0.000 1.627) 1.694 3.860 ( -7.694 0.000 -7.030) 10.422 3.860 ( 7.694 0.000 7.030) 10.422 4.148 ( -11.344 0.000 -10.805) 15.666 4.148 ( 11.344 0.000 10.805) 15.666 4.755 ( -14.818 0.000 4.139) 15.386 4.755 ( 14.818 0.000 -4.139) 15.386 5.185 ( 16.885 0.000 -15.064) 22.628 5.185 ( -16.885 0.000 15.064) 22.628 6.374 ( 3.316 0.000 -7.662) 8.349 6.374 ( -3.316 0.000 7.662) 8.349 6.793 ( 2.046 0.000 -1.276) 2.411 6.793 ( -2.046 0.000 1.276) 2.411 7.004 ( 6.302 0.000 -3.511) 7.214 7.004 ( -6.302 0.000 3.511) 7.214 7.393 ( -2.293 0.000 -1.901) 2.979 7.393 ( 2.293 0.000 1.901) 2.979 8.467 ( -6.987 0.000 -0.637) 7.016 8.467 ( 6.987 0.000 0.637) 7.016 8.913 ( -10.255 0.000 3.320) 10.779 8.913 ( 10.255 0.000 -3.320) 10.779 9.241 ( -4.406 0.000 0.074) 4.406 9.241 ( 4.406 0.000 -0.074) 4.406 10.176 ( -13.178 0.000 -5.417) 14.248 10.176 ( 13.178 0.000 5.417) 14.248 11.493 ( -9.398 0.000 -9.679) 13.491 11.493 ( 9.398 0.000 9.679) 13.491 12.050 ( -23.053 0.000 -3.749) 23.356 12.050 ( 23.053 0.000 3.749) 23.356 15.031 ( 4.854 0.000 -20.066) 20.645 15.031 ( -4.854 0.000 20.066) 20.645 17.293 ( -17.032 0.000 -2.402) 17.200 17.293 ( 17.032 0.000 2.402) 17.200 18.461 ( -1.188 0.000 -1.617) 2.006 18.461 ( 1.188 0.000 1.617) 2.006 ======================= Grid point 461 (232/260) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -6.302 0.000 -8.205) 10.346 1.967 ( 12.678 0.000 -6.654) 14.318 2.088 ( -0.120 0.000 5.290) 5.292 2.253 ( 18.547 0.000 -12.548) 22.393 3.054 ( -1.337 0.000 5.966) 6.114 3.141 ( 0.758 0.000 0.791) 1.095 3.372 ( -7.179 0.000 -3.168) 7.846 3.417 ( 6.061 0.000 -3.434) 6.967 3.585 ( -2.644 0.000 -15.918) 16.136 3.935 ( 1.659 0.000 -7.419) 7.603 3.981 ( -0.505 0.000 -0.495) 0.708 4.448 ( 8.487 0.000 11.385) 14.200 4.504 ( -17.324 0.000 2.604) 17.519 4.928 ( 9.220 0.000 -3.128) 9.736 5.049 ( -12.303 0.000 13.766) 18.462 5.318 ( 15.989 0.000 -17.928) 24.022 6.358 ( 0.146 0.000 -6.155) 6.157 6.440 ( 0.036 0.000 12.271) 12.271 6.582 ( -15.105 0.000 -11.185) 18.796 6.660 ( -9.573 0.000 -3.511) 10.197 6.983 ( -3.920 0.000 9.220) 10.019 7.039 ( 3.981 0.000 -2.900) 4.925 7.495 ( 7.353 0.000 7.433) 10.455 7.610 ( 10.312 0.000 12.630) 16.305 8.339 ( -6.933 0.000 -0.611) 6.959 8.585 ( 6.274 0.000 -0.109) 6.275 8.779 ( -9.605 0.000 5.552) 11.094 9.032 ( 4.428 0.000 -1.967) 4.845 9.143 ( -5.519 0.000 -2.455) 6.040 9.313 ( 6.685 0.000 -2.127) 7.016 9.886 ( -13.774 0.000 -6.353) 15.168 10.431 ( 10.754 0.000 4.972) 11.848 11.269 ( -4.763 0.000 -11.754) 12.682 11.651 ( -15.498 0.000 -0.284) 15.501 11.787 ( 9.191 0.000 8.516) 12.530 12.530 ( 24.701 0.000 9.892) 26.608 14.935 ( 5.481 0.000 -20.093) 20.827 15.134 ( -4.544 0.000 19.288) 19.816 16.873 ( -26.199 0.000 -4.676) 26.613 17.468 ( 1.432 0.000 1.343) 1.963 18.514 ( 9.687 0.000 -3.325) 10.242 18.563 ( 8.015 0.000 1.595) 8.172 ======================= Grid point 462 (233/260) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -2.069 0.000 -7.156) 7.449 2.125 ( 12.675 0.000 -10.181) 16.258 2.145 ( 4.029 0.000 -1.914) 4.460 2.432 ( 7.826 0.000 -10.051) 12.738 2.972 ( -2.122 0.000 -13.852) 14.014 3.027 ( -8.669 0.000 3.985) 9.541 3.217 ( -7.123 0.000 -0.312) 7.130 3.533 ( 7.397 0.000 -13.021) 14.975 3.590 ( 16.340 0.000 -1.929) 16.453 3.781 ( -6.518 0.000 -14.966) 16.323 4.128 ( 7.797 0.000 5.326) 9.442 4.261 ( -8.395 0.000 5.756) 10.179 4.621 ( 1.713 0.000 9.289) 9.445 5.021 ( -2.279 0.000 12.398) 12.606 5.073 ( 5.885 0.000 1.296) 6.026 5.412 ( 15.057 0.000 -18.933) 24.190 6.155 ( -18.003 0.000 -13.197) 22.322 6.243 ( -5.169 0.000 -8.096) 9.605 6.429 ( -12.743 0.000 -4.211) 13.421 6.612 ( 1.296 0.000 14.019) 14.079 6.977 ( -7.927 0.000 12.616) 14.900 7.131 ( 6.610 0.000 1.020) 6.689 7.712 ( 8.596 0.000 8.011) 11.750 7.885 ( 7.362 0.000 12.052) 14.123 8.235 ( -4.710 0.000 1.167) 4.853 8.674 ( 4.151 0.000 -0.624) 4.198 8.686 ( -7.822 0.000 6.243) 10.008 8.995 ( -4.700 0.000 -3.880) 6.095 9.024 ( -4.634 0.000 -3.130) 5.592 9.433 ( 3.792 0.000 -1.999) 4.287 9.633 ( -3.146 0.000 -6.423) 7.152 10.632 ( 7.721 0.000 3.578) 8.510 11.118 ( 0.393 0.000 -12.713) 12.719 11.367 ( -16.559 0.000 2.398) 16.732 12.097 ( 15.747 0.000 7.602) 17.486 13.045 ( 20.267 0.000 15.091) 25.268 14.847 ( 5.671 0.000 -19.781) 20.578 15.194 ( -8.947 0.000 14.717) 17.223 16.393 ( -20.968 0.000 -4.182) 21.381 17.407 ( -7.635 0.000 -0.370) 7.644 18.690 ( 13.696 0.000 -4.612) 14.452 18.737 ( 8.858 0.000 3.212) 9.422 ======================= Grid point 463 (234/260) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 5.226 0.000 -2.424) 5.761 2.067 ( -8.910 0.000 -16.076) 18.380 2.179 ( 3.491 0.000 -4.556) 5.740 2.318 ( -1.466 0.000 -3.837) 4.107 2.823 ( -12.732 0.000 -7.425) 14.739 2.998 ( -9.483 0.000 -10.958) 14.491 3.134 ( 21.029 0.000 -4.407) 21.486 3.515 ( -9.201 0.000 -8.378) 12.444 3.545 ( -2.965 0.000 1.567) 3.354 3.863 ( 12.964 0.000 1.143) 13.015 4.132 ( 11.386 0.000 -8.479) 14.196 4.539 ( 13.431 0.000 14.956) 20.102 4.739 ( 4.156 0.000 8.185) 9.179 5.090 ( -0.997 0.000 8.305) 8.364 5.216 ( 6.435 0.000 4.086) 7.622 5.504 ( 16.230 0.000 -18.336) 24.488 5.735 ( -16.605 0.000 -11.513) 20.206 6.049 ( -9.153 0.000 -7.400) 11.770 6.158 ( -13.572 0.000 -4.294) 14.235 6.615 ( -12.913 0.000 5.247) 13.938 7.031 ( -1.852 0.000 18.976) 19.066 7.243 ( 5.120 0.000 -0.032) 5.120 7.915 ( 5.782 0.000 7.849) 9.748 8.068 ( 3.413 0.000 7.150) 7.923 8.222 ( 1.608 0.000 2.847) 3.270 8.617 ( -6.140 0.000 4.900) 7.856 8.703 ( -0.996 0.000 -0.205) 1.017 8.844 ( -6.544 0.000 -4.987) 8.228 8.945 ( -2.128 0.000 -0.840) 2.288 9.273 ( -7.192 0.000 -10.435) 12.674 9.788 ( 14.580 0.000 2.870) 14.859 10.747 ( 3.723 0.000 -1.937) 4.196 11.045 ( 4.323 0.000 -12.623) 13.343 11.131 ( -15.417 0.000 7.416) 17.108 12.464 ( 18.610 0.000 7.801) 20.179 13.451 ( 8.983 0.000 15.136) 17.600 14.764 ( 5.413 0.000 -19.140) 19.891 15.017 ( -20.105 0.000 2.692) 20.284 16.208 ( -0.913 0.000 6.652) 6.714 17.227 ( -10.808 0.000 -3.371) 11.322 18.871 ( 11.978 0.000 -5.178) 13.049 18.906 ( 5.942 0.000 4.985) 7.757 ======================= Grid point 464 (235/260) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 8.063 0.000 -0.991) 8.124 1.772 ( -9.331 0.000 -4.741) 10.466 2.193 ( 1.652 0.000 -0.996) 1.928 2.282 ( -0.659 0.000 -3.054) 3.124 2.518 ( -8.925 0.000 -11.445) 14.514 2.687 ( -10.935 0.000 -14.351) 18.043 3.351 ( -5.075 0.000 -0.772) 5.133 3.365 ( -0.475 0.000 -0.999) 1.106 3.585 ( 11.910 0.000 6.824) 13.727 3.985 ( -0.995 0.000 1.320) 1.653 4.399 ( 24.139 0.000 -6.416) 24.977 4.864 ( 10.013 0.000 9.234) 13.621 4.913 ( 4.655 0.000 5.866) 7.489 5.151 ( 0.552 0.000 4.315) 4.350 5.226 ( -8.894 0.000 -1.321) 8.992 5.526 ( 5.224 0.000 -0.993) 5.318 5.658 ( 18.651 0.000 -15.464) 24.228 5.777 ( -14.054 0.000 -4.045) 14.624 5.912 ( -10.097 0.000 -5.017) 11.274 6.337 ( -22.887 0.000 5.034) 23.434 7.182 ( -0.241 0.000 14.722) 14.724 7.295 ( 2.850 0.000 -3.651) 4.632 8.045 ( 1.422 0.000 7.632) 7.763 8.137 ( 0.780 0.000 0.533) 0.945 8.338 ( 8.128 0.000 1.911) 8.350 8.577 ( -2.951 0.000 4.647) 5.504 8.618 ( -7.826 0.000 0.590) 7.848 8.723 ( -2.821 0.000 -5.339) 6.039 8.933 ( -0.674 0.000 3.035) 3.109 9.084 ( -2.717 0.000 -11.316) 11.637 10.092 ( 14.895 0.000 6.728) 16.344 10.670 ( -6.401 0.000 -9.905) 11.794 11.019 ( -9.283 0.000 14.304) 17.052 11.023 ( 6.165 0.000 -12.444) 13.888 12.879 ( 20.730 0.000 8.217) 22.299 13.569 ( -7.972 0.000 5.450) 9.657 14.682 ( 5.046 0.000 -17.843) 18.543 14.707 ( -14.962 0.000 4.358) 15.584 16.394 ( 9.412 0.000 12.090) 15.322 16.982 ( -11.940 0.000 -7.136) 13.911 18.998 ( 8.342 0.000 -5.550) 10.020 19.020 ( 1.170 0.000 5.860) 5.976 ======================= Grid point 465 (236/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 3.509 0.000 -5.031) 6.134 1.685 ( -3.509 0.000 5.031) 6.134 2.236 ( -1.301 0.000 -3.547) 3.778 2.236 ( 1.301 0.000 3.547) 3.778 2.435 ( -5.475 0.000 -3.107) 6.295 2.435 ( 5.475 0.000 3.107) 6.295 3.316 ( -0.895 0.000 -0.636) 1.098 3.316 ( 0.895 0.000 0.636) 1.098 3.864 ( -11.456 0.000 -2.784) 11.789 3.864 ( 11.456 0.000 2.784) 11.789 4.769 ( -21.247 0.000 1.440) 21.295 4.769 ( 21.247 0.000 -1.440) 21.295 5.038 ( -5.519 0.000 -1.019) 5.613 5.038 ( 5.519 0.000 1.019) 5.613 5.420 ( -17.114 0.000 -4.404) 17.672 5.420 ( 17.114 0.000 4.404) 17.672 5.698 ( -10.071 0.000 -3.585) 10.690 5.698 ( 10.071 0.000 3.585) 10.690 5.973 ( -25.027 0.000 8.261) 26.355 5.973 ( 25.027 0.000 -8.261) 26.355 7.276 ( 1.436 0.000 -8.629) 8.748 7.276 ( -1.436 0.000 8.629) 8.748 8.117 ( -0.306 0.000 -4.925) 4.934 8.117 ( 0.306 0.000 4.925) 4.934 8.489 ( -8.163 0.000 0.912) 8.214 8.489 ( 8.163 0.000 -0.912) 8.214 8.620 ( -1.803 0.000 -6.651) 6.891 8.620 ( 1.803 0.000 6.651) 6.891 8.975 ( -0.101 0.000 -7.486) 7.487 8.975 ( 0.101 0.000 7.486) 7.487 10.406 ( -12.682 0.000 -9.026) 15.566 10.406 ( 12.682 0.000 9.026) 15.566 11.017 ( 6.681 0.000 -13.119) 14.722 11.017 ( -6.681 0.000 13.119) 14.722 13.303 ( -19.609 0.000 -5.693) 20.418 13.303 ( 19.609 0.000 5.693) 20.418 14.624 ( 6.398 0.000 -14.090) 15.475 14.624 ( -6.398 0.000 14.090) 15.475 16.691 ( -11.912 0.000 -10.724) 16.028 16.691 ( 11.912 0.000 10.724) 16.028 19.051 ( 3.850 0.000 -5.873) 7.022 19.051 ( -3.850 0.000 5.873) 7.022 ======================= Grid point 471 (237/260) ======================= q-point: ( 0.00 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -7.086 -1.493 -5.469) 9.075 1.818 ( 7.086 -1.493 5.469) 9.075 2.082 ( 6.693 0.536 -13.338) 14.932 2.082 ( -6.693 0.536 13.338) 14.932 2.998 ( -4.117 -5.263 -2.849) 7.264 2.998 ( 4.117 -5.263 2.849) 7.264 3.466 ( -4.559 5.571 -2.845) 7.741 3.466 ( 4.559 5.571 2.845) 7.741 3.889 ( -1.940 2.690 -8.171) 8.818 3.889 ( 1.940 2.690 8.171) 8.818 4.270 ( -5.363 9.960 -9.105) 14.521 4.270 ( 5.363 9.960 9.105) 14.521 4.738 ( 0.644 -1.754 -0.615) 1.967 4.738 ( -0.644 -1.754 0.615) 1.967 5.221 ( 15.267 3.610 -13.712) 20.836 5.221 ( -15.267 3.610 13.712) 20.836 6.222 ( -1.037 -12.657 -9.662) 15.958 6.222 ( 1.037 -12.657 9.662) 15.958 6.612 ( 0.652 -14.166 -7.798) 16.183 6.612 ( -0.652 -14.166 7.798) 16.183 7.070 ( -6.934 2.483 -1.219) 7.465 7.070 ( 6.934 2.483 1.219) 7.465 7.425 ( -5.748 3.626 -3.907) 7.839 7.425 ( 5.748 3.626 3.907) 7.839 8.494 ( -3.018 1.571 -3.344) 4.771 8.494 ( 3.018 1.571 3.344) 4.771 8.952 ( -8.962 3.382 2.117) 9.810 8.952 ( 8.962 3.382 -2.117) 9.810 9.255 ( -5.071 1.486 -0.236) 5.290 9.255 ( 5.071 1.486 0.236) 5.290 10.226 ( -13.817 4.591 -4.386) 15.206 10.226 ( 13.817 4.591 4.386) 15.206 11.469 ( -8.891 -2.247 -9.704) 13.351 11.469 ( 8.891 -2.247 9.704) 13.351 11.988 ( -19.292 -5.624 -4.521) 20.598 11.988 ( 19.292 -5.624 4.521) 20.598 14.949 ( 2.828 -6.763 -17.886) 19.330 14.949 ( -2.828 -6.763 17.886) 19.330 17.369 ( -15.007 6.274 -2.325) 16.431 17.369 ( 15.007 6.274 2.325) 16.431 18.456 ( -0.940 -0.367 -1.499) 1.807 18.456 ( 0.940 -0.367 1.499) 1.807 ======================= Grid point 473 (238/260) ======================= q-point: ( 0.10 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -2.391 0.030 -8.839) 9.156 1.990 ( 10.645 2.304 -4.319) 11.716 2.104 ( 4.522 1.525 3.755) 6.073 2.246 ( 18.137 -0.207 -10.007) 20.716 2.953 ( -0.949 -7.567 2.329) 7.974 3.092 ( 1.746 -3.629 2.258) 4.617 3.391 ( -1.254 2.983 0.341) 3.254 3.567 ( -2.731 8.955 -7.199) 11.810 3.627 ( -0.611 3.783 -14.076) 14.589 3.835 ( -7.118 -0.997 -2.313) 7.550 4.198 ( 2.143 11.820 -6.061) 13.456 4.399 ( -6.995 -1.720 3.195) 7.880 4.595 ( -3.854 4.841 10.362) 12.069 4.913 ( 10.507 -1.582 -2.862) 11.004 5.090 ( -10.931 3.948 11.530) 16.371 5.340 ( 14.494 2.372 -17.705) 23.003 6.159 ( 0.454 -14.137 -3.969) 14.691 6.370 ( 0.058 -11.970 5.136) 13.025 6.449 ( -5.367 -8.044 -5.335) 11.044 6.571 ( -7.752 -8.798 2.417) 11.972 6.934 ( -8.053 0.837 3.446) 8.800 7.185 ( 4.085 5.888 0.967) 7.231 7.433 ( 4.085 -4.128 7.815) 9.737 7.646 ( 9.855 3.441 9.946) 14.418 8.382 ( -5.616 3.043 -2.673) 6.925 8.562 ( 0.814 -1.765 1.854) 2.686 8.839 ( -6.116 4.110 3.994) 8.382 9.067 ( 4.320 3.356 -1.837) 5.770 9.142 ( -6.250 0.032 -2.399) 6.695 9.349 ( 7.415 3.358 -0.790) 8.179 9.933 ( -14.587 4.594 -5.387) 16.214 10.482 ( 11.267 4.495 3.860) 12.730 11.250 ( -4.977 -1.755 -11.192) 12.374 11.608 ( -13.233 -4.043 -0.635) 13.852 11.764 ( 8.232 -2.099 8.048) 11.702 12.430 ( 23.468 -8.997 7.468) 26.220 14.825 ( 0.170 -7.675 -12.877) 14.991 15.095 ( 0.898 -4.619 15.526) 16.223 16.980 ( -24.628 9.095 -4.887) 26.704 17.508 ( -0.315 3.172 1.010) 3.344 18.519 ( 10.082 0.429 -2.953) 10.515 18.557 ( 8.105 -0.499 1.498) 8.257 ======================= Grid point 474 (239/260) ======================= q-point: ( 0.20 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 4.621 7.737 -8.752) 12.563 2.112 ( 8.604 -1.018 -5.321) 10.168 2.208 ( 5.879 4.681 -2.941) 8.070 2.477 ( 14.867 3.065 -11.501) 19.044 2.846 ( -10.009 -5.763 -6.870) 13.438 3.080 ( -1.145 0.796 -1.894) 2.353 3.338 ( -8.394 9.669 0.773) 12.828 3.485 ( 11.208 -2.617 -6.065) 13.009 3.578 ( 0.951 -4.347 -8.197) 9.327 3.739 ( -1.062 0.995 -8.766) 8.886 4.172 ( -5.425 0.837 -2.278) 5.943 4.249 ( 1.130 2.088 2.950) 3.787 4.685 ( -0.932 3.091 11.163) 11.620 5.067 ( 5.815 2.243 5.309) 8.188 5.091 ( 1.263 3.477 6.274) 7.283 5.401 ( 12.489 -0.988 -19.023) 22.778 6.082 ( -12.666 -8.335 -15.173) 21.451 6.118 ( -1.529 -9.240 -4.565) 10.419 6.370 ( -11.301 -4.881 -1.841) 12.448 6.637 ( 1.744 1.392 13.828) 14.007 6.867 ( -6.161 -4.883 10.809) 13.365 7.261 ( 3.074 6.555 2.403) 7.628 7.624 ( 6.530 -7.500 10.908) 14.761 7.894 ( 7.674 1.301 9.258) 12.095 8.270 ( -4.463 2.600 -1.281) 5.322 8.549 ( -4.225 -5.474 2.526) 7.362 8.820 ( -1.085 5.438 3.515) 6.565 8.986 ( -7.527 -0.224 -3.160) 8.167 9.066 ( -1.591 3.543 -3.520) 5.242 9.510 ( 8.431 6.295 0.882) 10.559 9.650 ( -8.660 2.682 -7.086) 11.507 10.677 ( 7.902 3.928 2.160) 9.085 11.096 ( -1.702 -1.981 -9.856) 10.196 11.355 ( -13.044 -1.185 -0.532) 13.108 12.056 ( 14.796 -3.700 7.279) 16.899 12.896 ( 19.782 -13.263 10.057) 25.853 14.717 ( -0.897 -7.047 -9.092) 11.539 15.255 ( 1.133 0.708 13.410) 13.476 16.496 ( -22.970 9.503 -6.691) 25.743 17.419 ( -8.687 0.709 -1.046) 8.779 18.702 ( 13.449 0.988 -3.791) 14.008 18.733 ( 9.305 -0.269 2.779) 9.715 ======================= Grid point 475 (240/260) ======================= q-point: ( 0.30 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 10.018 13.510 -6.332) 17.972 2.167 ( 2.500 -0.761 -4.491) 5.197 2.232 ( -3.109 11.469 -13.382) 17.897 2.319 ( -5.011 0.971 -4.582) 6.859 2.752 ( -4.854 -5.438 -7.161) 10.218 3.034 ( -6.281 1.136 -4.975) 8.093 3.164 ( 5.055 6.300 -11.224) 13.829 3.494 ( -6.471 -0.860 -8.408) 10.644 3.562 ( -3.815 -4.181 4.787) 7.412 3.750 ( 10.571 -5.081 1.749) 11.858 4.153 ( 10.907 1.521 -5.612) 12.360 4.462 ( 11.964 -4.355 10.312) 16.384 4.778 ( 2.670 0.542 7.499) 7.979 5.154 ( 0.512 4.892 6.630) 8.255 5.235 ( 4.935 1.040 0.557) 5.074 5.430 ( 8.660 -4.899 -11.592) 15.276 5.763 ( -4.441 -0.280 -16.660) 17.244 6.017 ( -5.657 -1.361 -4.190) 7.170 6.129 ( -13.217 -2.240 -3.081) 13.755 6.603 ( -14.614 -0.350 6.434) 15.971 7.001 ( 3.146 -1.668 17.221) 17.585 7.326 ( 2.241 5.016 1.100) 5.602 7.828 ( 4.461 -7.704 11.431) 14.489 8.056 ( 3.479 -1.054 3.735) 5.212 8.236 ( 1.307 1.188 1.486) 2.309 8.484 ( -5.279 -7.644 2.162) 9.538 8.805 ( -6.865 3.410 0.186) 7.668 8.847 ( -2.268 1.812 -1.477) 3.258 9.006 ( -1.931 5.358 -1.030) 5.788 9.369 ( -7.300 8.522 -9.966) 15.008 9.790 ( 13.869 0.589 4.031) 14.455 10.768 ( 2.629 1.286 -5.007) 5.799 11.010 ( -2.122 -1.677 -0.755) 2.808 11.164 ( -6.900 2.025 -2.564) 7.635 12.396 ( 16.883 -6.038 7.065) 19.271 13.242 ( 9.601 -18.005 7.028) 21.581 14.639 ( -1.682 -2.687 -1.700) 3.597 15.297 ( -6.587 14.408 0.239) 15.844 16.194 ( -5.744 0.278 2.302) 6.194 17.216 ( -11.669 -1.349 -4.338) 12.522 18.884 ( 11.051 1.051 -3.379) 11.604 18.907 ( 7.054 0.209 3.495) 7.875 ======================= Grid point 476 (241/260) ======================= q-point: ( 0.40 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 8.205 12.112 -5.984) 15.806 1.970 ( -7.586 16.156 -1.424) 17.905 2.199 ( 2.156 0.815 -0.889) 2.470 2.300 ( 0.962 0.843 -4.974) 5.136 2.502 ( -6.574 -0.888 -11.938) 13.657 2.772 ( -12.615 8.130 -9.553) 17.790 3.203 ( 0.952 -8.259 -1.043) 8.379 3.329 ( -6.823 -4.913 -1.259) 8.501 3.639 ( 8.360 1.772 4.223) 9.532 3.889 ( 1.148 -5.971 1.954) 6.386 4.383 ( 17.702 -2.422 -1.170) 17.905 4.770 ( 10.703 -6.596 8.265) 15.045 4.914 ( 5.773 -0.391 2.025) 6.130 5.111 ( -9.901 -8.144 -7.014) 14.613 5.235 ( 3.830 4.254 4.279) 7.147 5.561 ( 8.879 3.344 2.047) 9.706 5.679 ( 4.335 -0.585 -13.484) 14.175 5.841 ( -3.209 7.105 -5.849) 9.746 5.911 ( -8.910 0.104 -2.494) 9.253 6.337 ( -21.840 0.770 6.454) 22.787 7.193 ( 2.409 0.718 12.566) 12.815 7.348 ( 0.787 3.473 -2.182) 4.176 7.975 ( 1.110 -6.470 10.068) 12.019 8.091 ( 0.845 -3.901 -2.180) 4.548 8.318 ( 5.081 -2.154 0.235) 5.524 8.423 ( -4.214 -8.879 2.713) 10.196 8.690 ( -3.868 3.540 0.867) 5.315 8.800 ( -2.677 5.251 -2.488) 6.398 8.998 ( -0.771 6.137 4.258) 7.509 9.180 ( -3.243 8.614 -11.168) 14.472 10.086 ( 14.072 -0.338 7.057) 15.746 10.648 ( -7.236 -2.060 -9.728) 12.298 11.013 ( -2.339 1.290 7.611) 8.066 11.075 ( 0.723 2.954 -6.482) 7.160 12.761 ( 17.385 -10.133 7.352) 21.423 13.316 ( -4.353 -20.182 -1.175) 20.679 14.656 ( 0.411 6.188 8.700) 10.685 15.066 ( -9.464 20.637 -13.053) 26.189 16.322 ( 9.009 -6.224 12.103) 16.321 16.945 ( -12.802 -3.497 -8.289) 15.647 19.011 ( 7.081 1.088 -3.277) 7.878 19.026 ( 2.606 0.639 3.759) 4.618 ======================= Grid point 477 (242/260) ======================= q-point: ( 0.50 0.12 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.896 12.651 -8.269) 15.140 1.854 ( -0.896 12.651 8.269) 15.140 2.250 ( -1.029 1.017 -5.629) 5.812 2.250 ( 1.029 1.017 5.629) 5.812 2.493 ( -10.144 6.763 -2.190) 12.387 2.493 ( 10.144 6.763 2.190) 12.387 3.231 ( -1.753 -7.319 -2.024) 7.793 3.231 ( 1.753 -7.319 2.024) 7.793 3.824 ( -6.660 -2.691 -1.738) 7.390 3.824 ( 6.660 -2.691 1.738) 7.390 4.701 ( -15.025 -6.834 -5.806) 17.498 4.701 ( 15.025 -6.834 5.806) 17.498 5.006 ( -0.355 -2.533 -7.704) 8.118 5.006 ( 0.355 -2.533 7.704) 8.118 5.438 ( -15.310 1.543 -2.803) 15.641 5.438 ( 15.310 1.543 2.803) 15.641 5.734 ( -3.627 3.031 -4.917) 6.820 5.734 ( 3.627 3.031 4.917) 6.820 6.014 ( 7.671 4.059 -4.213) 9.647 6.014 ( -7.671 4.059 4.213) 9.647 7.308 ( -0.117 2.187 -7.538) 7.850 7.308 ( 0.117 2.187 7.538) 7.850 8.059 ( 0.417 -5.297 -7.024) 8.808 8.059 ( -0.417 -5.297 7.024) 8.808 8.380 ( 3.491 -7.453 -3.638) 8.999 8.380 ( -3.491 -7.453 3.638) 8.999 8.715 ( -1.457 6.117 -5.119) 8.108 8.715 ( 1.457 6.117 5.119) 8.108 9.055 ( -0.257 7.449 -8.998) 11.684 9.055 ( 0.257 7.449 8.998) 11.684 10.389 ( -12.103 -1.490 -8.809) 15.044 10.389 ( 12.103 -1.490 8.809) 15.044 11.043 ( 5.590 2.267 -12.369) 13.762 11.043 ( -5.590 2.267 12.369) 13.762 13.106 ( -14.215 -15.984 -6.402) 22.328 13.106 ( 14.215 -15.984 6.402) 22.328 14.810 ( -3.429 14.975 -15.753) 22.003 14.810 ( 3.429 14.975 15.753) 22.003 16.631 ( -12.416 -5.539 -11.894) 18.064 16.631 ( 12.416 -5.539 11.894) 18.064 19.062 ( 3.212 0.967 -5.407) 6.363 19.062 ( -3.212 0.967 5.407) 6.363 ======================= Grid point 483 (243/260) ======================= q-point: ( 0.00 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -3.622 0.729 -6.348) 7.344 1.800 ( 3.622 0.729 6.348) 7.344 2.187 ( 5.322 9.116 -12.640) 16.468 2.187 ( -5.322 9.116 12.640) 16.468 2.882 ( -4.133 -4.702 -7.479) 9.753 2.882 ( 4.133 -4.702 7.479) 9.753 3.578 ( -5.630 4.455 -6.978) 10.012 3.578 ( 5.630 4.455 6.978) 10.012 3.954 ( 0.697 2.508 -13.012) 13.269 3.954 ( -0.697 2.508 13.012) 13.269 4.498 ( 1.873 9.846 -8.995) 13.467 4.498 ( -1.873 9.846 8.995) 13.467 4.687 ( 4.091 -2.260 -5.551) 7.257 4.687 ( -4.091 -2.260 5.551) 7.257 5.336 ( 5.954 6.470 -7.381) 11.480 5.336 ( -5.954 6.470 7.381) 11.480 5.915 ( -6.055 -14.588 -9.963) 18.675 5.915 ( 6.055 -14.588 9.963) 18.675 6.256 ( -0.249 -18.188 -9.139) 20.356 6.256 ( 0.249 -18.188 9.139) 20.356 7.067 ( 1.548 -2.197 -1.117) 2.911 7.067 ( -1.548 -2.197 1.117) 2.911 7.544 ( -7.195 6.800 -3.940) 10.655 7.544 ( 7.195 6.800 3.940) 10.655 8.500 ( -1.400 -1.237 -3.365) 3.848 8.500 ( 1.400 -1.237 3.365) 3.848 9.031 ( -7.746 3.399 -0.197) 8.461 9.031 ( 7.746 3.399 0.197) 8.461 9.311 ( -6.241 3.753 -1.162) 7.375 9.311 ( 6.241 3.753 1.162) 7.375 10.361 ( -14.411 7.719 -1.624) 16.428 10.361 ( 14.411 7.719 1.624) 16.428 11.399 ( -7.100 -4.254 -9.465) 12.573 11.399 ( 7.100 -4.254 9.465) 12.573 11.832 ( -10.635 -8.355 -6.157) 14.860 11.832 ( 10.635 -8.355 6.157) 14.860 14.793 ( 0.352 -6.992 -12.442) 14.277 14.793 ( -0.352 -6.992 12.442) 14.277 17.514 ( -10.479 6.558 -1.891) 12.506 17.514 ( 10.479 6.558 1.891) 12.506 18.447 ( -0.410 -0.455 -1.172) 1.322 18.447 ( 0.410 -0.455 1.172) 1.322 ======================= Grid point 485 (244/260) ======================= q-point: ( 0.10 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 4.386 6.850 -6.266) 10.268 2.031 ( 14.320 0.103 0.547) 14.331 2.174 ( 5.836 6.657 -3.953) 9.695 2.311 ( 10.051 6.994 -3.502) 12.736 2.796 ( 1.480 -6.035 -2.838) 6.831 3.013 ( 2.050 -3.652 5.118) 6.613 3.460 ( 2.114 3.211 -8.017) 8.891 3.686 ( -8.807 2.352 -5.628) 10.713 3.730 ( 1.026 5.390 -10.827) 12.138 3.916 ( -10.672 5.683 5.370) 13.229 4.373 ( -8.689 3.941 -2.078) 9.764 4.460 ( -3.982 8.251 -7.930) 12.117 4.647 ( -3.310 -0.551 10.484) 11.008 4.879 ( 13.026 -0.788 -1.103) 13.096 5.193 ( -6.798 4.759 4.547) 9.462 5.415 ( 7.696 3.610 -16.544) 18.600 5.838 ( 1.808 -14.766 0.754) 14.895 6.020 ( -0.150 -17.272 -11.037) 20.497 6.262 ( 1.748 -10.536 10.309) 14.844 6.334 ( 2.102 -11.568 11.412) 16.385 6.970 ( -8.484 1.451 3.360) 9.240 7.169 ( 6.435 -6.103 0.511) 8.884 7.448 ( -3.339 5.462 4.539) 7.847 7.740 ( 7.781 4.612 8.190) 12.202 8.423 ( -2.993 0.202 -4.653) 5.537 8.519 ( -3.079 -2.118 2.891) 4.725 8.911 ( -5.375 2.633 1.241) 6.112 9.111 ( -0.793 -0.758 -2.406) 2.644 9.201 ( -2.978 6.400 -0.705) 7.094 9.437 ( 7.454 4.117 1.196) 8.599 10.089 ( -14.339 10.119 -2.554) 17.735 10.602 ( 11.897 6.128 0.828) 13.409 11.199 ( -5.546 -2.856 -9.177) 11.096 11.486 ( -8.032 -7.119 -1.162) 10.796 11.708 ( 6.609 -2.757 6.456) 9.642 12.182 ( 19.976 -13.343 3.302) 24.248 14.687 ( -2.271 -4.607 -4.572) 6.876 14.950 ( 3.815 -8.063 13.161) 15.899 17.201 ( -20.987 10.532 -4.522) 23.913 17.571 ( -4.254 2.152 0.093) 4.768 18.530 ( 10.743 0.524 -1.939) 10.929 18.546 ( 8.490 -0.471 1.285) 8.599 ======================= Grid point 486 (245/260) ======================= q-point: ( 0.20 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 12.588 11.368 -7.287) 18.460 2.113 ( 1.675 2.314 -5.665) 6.344 2.319 ( 4.378 5.567 -0.538) 7.103 2.498 ( 21.923 -0.779 -10.203) 24.194 2.805 ( -4.172 0.942 -7.666) 8.779 3.048 ( 3.284 -3.067 3.227) 5.532 3.356 ( -5.019 -3.573 -15.718) 16.882 3.531 ( 1.408 0.132 -8.909) 9.021 3.634 ( -6.365 12.017 10.267) 17.039 3.781 ( -6.641 2.153 -8.573) 11.056 4.220 ( -4.590 5.725 -2.760) 7.839 4.322 ( -2.935 3.444 -1.707) 4.836 4.677 ( -2.916 -3.662 8.533) 9.732 5.107 ( 12.598 1.426 1.692) 12.791 5.195 ( 0.421 4.885 5.138) 7.102 5.351 ( 3.482 -4.819 -16.863) 17.880 5.793 ( -2.872 -14.564 -10.704) 18.301 5.971 ( 4.044 -5.466 -2.484) 7.239 6.246 ( -6.547 -5.859 3.000) 9.284 6.624 ( 9.677 -3.570 15.771) 18.844 6.837 ( -11.258 2.048 5.980) 12.911 7.281 ( 4.714 -6.995 1.482) 8.565 7.509 ( 1.041 0.430 11.694) 11.748 7.931 ( 5.121 1.278 7.381) 9.074 8.321 ( -3.089 1.926 -4.670) 5.922 8.448 ( -7.637 -3.731 3.131) 9.058 8.883 ( -0.629 0.831 2.176) 2.413 8.980 ( -7.770 -0.848 -3.018) 8.378 9.183 ( -0.504 7.357 -1.210) 7.473 9.586 ( 7.280 0.704 1.327) 7.434 9.846 ( -9.262 14.975 -3.338) 17.921 10.767 ( 7.064 3.218 -2.362) 8.114 11.051 ( -4.467 -1.438 -3.038) 5.590 11.316 ( -5.562 -2.396 -5.827) 8.404 11.955 ( 12.570 -5.207 6.286) 14.987 12.543 ( 17.458 -18.274 2.843) 25.433 14.638 ( -1.652 -0.380 2.007) 2.627 15.170 ( 6.323 -7.566 15.465) 18.341 16.753 ( -23.012 13.345 -8.139) 27.819 17.417 ( -11.175 -1.295 -2.578) 11.541 18.721 ( 10.912 0.468 0.533) 10.935 18.734 ( 12.179 0.579 -0.517) 12.203 ======================= Grid point 487 (246/260) ======================= q-point: ( 0.30 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 10.811 13.496 -8.581) 19.304 2.096 ( 3.222 -4.625 -3.367) 6.566 2.333 ( 2.374 3.436 -5.635) 7.014 2.534 ( -9.992 10.992 -10.097) 17.962 2.679 ( 4.626 1.146 -12.316) 13.206 3.045 ( -2.759 0.596 -7.165) 7.701 3.331 ( -1.298 -10.412 3.216) 10.974 3.359 ( 3.642 4.375 -7.426) 9.356 3.488 ( -12.639 3.512 -9.000) 15.909 3.782 ( 2.806 5.459 9.259) 11.108 4.183 ( 2.791 0.862 -2.666) 3.955 4.401 ( 8.587 -1.003 7.224) 11.266 4.740 ( 4.694 -3.251 3.240) 6.565 5.138 ( -5.722 -10.661 -13.216) 17.918 5.261 ( 1.912 4.940 3.668) 6.443 5.398 ( 12.388 1.405 2.740) 12.765 5.690 ( 4.397 -4.268 -13.237) 14.586 5.987 ( -2.586 -3.775 0.806) 4.646 6.134 ( -5.395 4.413 -3.005) 7.590 6.636 ( -15.666 3.671 7.012) 17.552 6.947 ( 8.053 -4.371 13.503) 16.319 7.348 ( 1.878 -5.466 0.782) 5.832 7.664 ( 2.035 -4.407 14.053) 14.867 8.017 ( 0.776 -2.941 -0.340) 3.061 8.265 ( -0.822 1.273 0.333) 1.551 8.339 ( -7.201 -5.399 1.890) 9.196 8.823 ( -5.516 0.476 -1.500) 5.736 8.910 ( -0.274 1.877 1.193) 2.241 9.163 ( -1.108 9.120 1.096) 9.252 9.570 ( -5.001 7.404 -7.007) 11.354 9.857 ( 8.884 7.759 4.305) 12.556 10.755 ( -2.660 -3.161 -7.813) 8.838 11.023 ( -1.137 3.149 6.244) 7.085 11.199 ( -0.114 1.261 -9.060) 9.148 12.234 ( 13.375 -8.351 5.256) 16.620 12.795 ( 9.511 -21.887 -0.472) 23.869 14.685 ( 1.155 5.799 9.974) 11.595 15.429 ( 6.563 -2.408 12.853) 14.631 16.309 ( -17.227 10.825 -8.523) 22.059 17.158 ( -13.778 -4.238 -6.369) 15.759 18.902 ( 8.100 0.643 2.490) 8.498 18.922 ( 10.309 1.047 -1.603) 10.485 ======================= Grid point 488 (247/260) ======================= q-point: ( 0.40 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.154 6.076 -3.391) 6.960 2.143 ( 3.137 -3.681 0.237) 4.842 2.302 ( -3.520 1.592 -8.783) 9.595 2.359 ( -4.177 7.725 -10.099) 13.383 2.567 ( 8.833 12.238 -8.413) 17.279 2.980 ( -2.313 6.288 -2.588) 7.182 3.139 ( -13.364 2.777 -2.842) 13.942 3.198 ( -6.954 -1.123 -2.969) 7.644 3.607 ( 12.365 -3.791 1.352) 13.003 3.847 ( -3.643 1.883 6.197) 7.431 4.268 ( 7.005 -7.967 3.594) 11.201 4.631 ( 5.310 -7.567 2.119) 9.484 4.886 ( 10.158 -3.160 -3.162) 11.099 4.911 ( -4.798 -7.030 -4.371) 9.568 5.332 ( 4.072 4.657 1.894) 6.470 5.632 ( 7.791 1.515 2.449) 8.306 5.650 ( 2.300 -0.099 -8.289) 8.603 5.901 ( -6.037 -0.215 1.310) 6.181 6.054 ( 3.227 10.985 -8.350) 14.171 6.396 ( -19.764 5.014 8.382) 22.046 7.172 ( 5.535 -4.013 9.280) 11.527 7.360 ( -0.274 -4.495 -1.349) 4.701 7.811 ( 0.602 -6.733 12.330) 14.062 7.985 ( -0.005 -5.825 -6.218) 8.521 8.251 ( -5.811 -6.470 5.101) 10.082 8.257 ( 0.060 -3.102 -3.279) 4.514 8.778 ( 0.394 4.465 1.778) 4.822 8.895 ( -1.477 3.366 -1.495) 3.968 9.184 ( 0.065 10.797 5.783) 12.249 9.412 ( -3.936 11.870 -9.347) 15.613 10.092 ( 11.426 1.333 6.604) 13.264 10.584 ( -8.179 -3.871 -7.354) 11.660 11.070 ( -1.765 3.686 7.888) 8.884 11.138 ( 2.825 2.969 -9.841) 10.660 12.504 ( 12.051 -12.839 5.101) 18.332 12.850 ( -0.432 -21.763 -3.988) 22.130 14.867 ( 5.869 12.263 16.110) 21.080 15.470 ( -7.642 15.357 -8.077) 18.960 16.172 ( 4.635 -6.223 8.399) 11.435 16.832 ( -14.776 -7.092 -10.580) 19.508 19.034 ( 4.020 0.988 2.873) 5.039 19.048 ( 5.965 1.199 -1.998) 6.404 ======================= Grid point 489 (248/260) ======================= q-point: ( 0.50 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -4.470 4.786 -10.074) 12.015 2.054 ( 4.470 4.786 10.074) 12.015 2.242 ( -2.543 -2.541 -6.697) 7.601 2.242 ( 2.543 -2.541 6.697) 7.601 2.782 ( -14.529 19.005 1.529) 23.971 2.782 ( 14.529 19.005 -1.529) 23.971 3.079 ( -3.920 -4.774 -0.048) 6.177 3.079 ( 3.920 -4.774 0.048) 6.177 3.781 ( 7.798 -1.141 -2.765) 8.352 3.781 ( -7.798 -1.141 2.765) 8.352 4.482 ( -8.815 -12.741 -10.205) 18.552 4.482 ( 8.815 -12.741 10.205) 18.552 4.955 ( 2.562 -2.103 -9.044) 9.632 4.955 ( -2.562 -2.103 9.044) 9.632 5.475 ( -10.422 2.032 -1.930) 10.792 5.475 ( 10.422 2.032 1.930) 10.792 5.806 ( 3.131 3.073 -7.364) 8.571 5.806 ( -3.131 3.073 7.364) 8.571 6.148 ( 15.532 8.532 -9.628) 20.168 6.148 ( -15.532 8.532 9.628) 20.168 7.307 ( -2.558 -3.983 -5.091) 6.952 7.307 ( 2.558 -3.983 5.091) 6.952 7.914 ( 0.372 -7.207 -9.709) 12.097 7.914 ( -0.372 -7.207 9.709) 12.097 8.231 ( 2.668 -5.877 -5.515) 8.490 8.231 ( -2.668 -5.877 5.515) 8.490 8.836 ( -1.821 4.968 -3.554) 6.374 8.836 ( 1.821 4.968 3.554) 6.374 9.272 ( -0.353 12.134 -10.856) 16.286 9.272 ( 0.353 12.134 10.856) 16.286 10.351 ( -10.491 -1.941 -7.502) 13.043 10.351 ( 10.491 -1.941 7.502) 13.043 11.105 ( 3.670 3.411 -9.867) 11.066 11.105 ( -3.670 3.411 9.867) 11.066 12.728 ( -7.516 -17.957 -5.540) 20.240 12.728 ( 7.516 -17.957 5.540) 20.240 15.165 ( -10.089 17.184 -17.205) 26.327 15.165 ( 10.089 17.184 17.205) 26.327 16.469 ( -13.365 -9.346 -13.895) 21.426 16.469 ( 13.365 -9.346 13.895) 21.426 19.086 ( 1.917 1.197 -4.100) 4.682 19.086 ( -1.917 1.197 4.100) 4.682 ======================= Grid point 495 (249/260) ======================= q-point: ( 0.00 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 1.041 2.549 -4.158) 4.987 1.844 ( -1.041 2.549 4.158) 4.987 2.414 ( 3.820 10.098 -8.553) 13.773 2.414 ( -3.820 10.098 8.553) 13.773 2.825 ( -2.005 -0.421 -10.382) 10.582 2.825 ( 2.005 -0.421 10.382) 10.582 3.664 ( -2.279 4.285 -13.406) 14.258 3.664 ( 2.279 4.285 13.406) 14.258 3.952 ( 1.887 -3.401 -16.440) 16.894 3.952 ( -1.887 -3.401 16.440) 16.894 4.604 ( -1.455 1.246 -2.040) 2.799 4.604 ( 1.455 1.246 2.040) 2.799 4.708 ( 1.429 2.849 -1.093) 3.370 4.708 ( -1.429 2.849 1.093) 3.370 5.434 ( -9.927 1.288 -4.854) 11.125 5.434 ( 9.927 1.288 4.854) 11.125 5.699 ( -7.380 -3.514 -6.110) 10.205 5.699 ( 7.380 -3.514 6.110) 10.205 5.895 ( 1.247 -14.512 -3.743) 15.039 5.895 ( -1.247 -14.512 3.743) 15.039 7.006 ( 2.945 -2.919 -2.833) 5.022 7.006 ( -2.945 -2.919 2.833) 5.022 7.681 ( -5.228 5.466 -2.657) 8.016 7.681 ( 5.228 5.466 2.657) 8.016 8.452 ( -1.211 -2.638 -2.005) 3.528 8.452 ( 1.211 -2.638 2.005) 3.528 9.083 ( -4.312 1.500 -1.106) 4.698 9.083 ( 4.312 1.500 1.106) 4.698 9.394 ( -4.346 3.382 -1.219) 5.640 9.394 ( 4.346 3.382 1.219) 5.640 10.528 ( -11.223 7.137 0.779) 13.322 10.528 ( 11.223 7.137 -0.779) 13.322 11.296 ( -3.530 -4.890 -7.189) 9.384 11.296 ( 3.530 -4.890 7.189) 9.384 11.672 ( -3.523 -5.870 -5.210) 8.603 11.672 ( 3.523 -5.870 5.210) 8.603 14.676 ( -0.326 -3.800 -6.050) 7.152 14.676 ( 0.326 -3.800 6.050) 7.152 17.625 ( -5.256 3.594 -1.082) 6.458 17.625 ( 5.256 3.594 1.082) 6.458 18.439 ( -0.040 -0.294 -0.656) 0.720 18.439 ( 0.040 -0.294 0.656) 0.720 ======================= Grid point 497 (250/260) ======================= q-point: ( 0.10 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 8.471 7.058 -2.740) 11.362 2.024 ( 15.860 -0.320 -0.771) 15.882 2.351 ( -0.900 8.467 -0.932) 8.566 2.480 ( 3.784 5.696 -4.323) 8.091 2.744 ( 4.274 2.261 -7.563) 8.976 2.939 ( 1.520 -3.399 4.886) 6.143 3.532 ( 3.265 3.960 -14.479) 15.362 3.706 ( -10.268 -0.791 -6.846) 12.367 3.839 ( 4.639 4.746 -3.079) 7.315 3.969 ( -10.429 -0.121 9.998) 14.448 4.483 ( -9.093 3.857 2.335) 10.150 4.558 ( -0.418 -0.539 -7.896) 7.926 4.647 ( -7.321 4.156 0.026) 8.419 4.873 ( 13.286 -0.891 -2.497) 13.548 5.251 ( -3.829 -0.114 -2.423) 4.532 5.405 ( -7.133 -5.160 -11.593) 14.557 5.584 ( -2.737 -6.959 5.673) 9.387 5.781 ( 6.724 -5.376 -5.888) 10.430 6.025 ( 6.434 -7.846 7.974) 12.905 6.149 ( 13.945 -6.556 13.337) 20.379 6.976 ( -4.882 -0.671 4.259) 6.513 7.039 ( 2.430 -5.010 0.149) 5.570 7.594 ( -4.761 7.661 3.643) 9.728 7.805 ( 3.377 0.613 6.896) 7.703 8.403 ( -1.823 -0.920 -2.325) 3.095 8.472 ( -1.459 -2.545 1.230) 3.181 8.964 ( -6.243 2.616 -1.498) 6.933 9.077 ( -4.211 -2.205 -2.812) 5.523 9.346 ( -0.815 6.521 0.903) 6.634 9.491 ( 4.459 0.572 1.903) 4.882 10.343 ( -9.814 12.957 -0.286) 16.257 10.694 ( 8.793 0.902 -2.468) 9.177 11.149 ( -4.890 -0.879 -5.189) 7.184 11.326 ( -2.698 -7.387 -2.209) 8.169 11.670 ( 6.779 -0.253 4.087) 7.920 11.909 ( 15.203 -11.484 1.471) 19.109 14.637 ( -1.133 -0.160 2.028) 2.329 14.787 ( 3.280 -6.778 10.262) 12.728 17.399 ( -16.890 7.808 -3.591) 18.951 17.585 ( -8.617 -0.967 -1.142) 8.746 18.538 ( 10.480 0.172 -0.394) 10.488 18.540 ( 9.607 -0.081 0.700) 9.633 ======================= Grid point 498 (251/260) ======================= q-point: ( 0.20 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 6.195 6.874 -3.213) 9.796 2.186 ( 2.813 1.647 -6.051) 6.873 2.428 ( 7.218 4.352 -1.407) 8.545 2.499 ( 10.426 1.037 -9.156) 13.914 2.835 ( 10.073 2.083 -5.925) 11.870 2.980 ( 5.470 -3.311 -0.726) 6.435 3.341 ( -12.149 1.942 -16.714) 20.753 3.505 ( -4.108 -3.227 -8.744) 10.186 3.845 ( -4.249 8.188 5.497) 10.739 3.880 ( -1.153 6.827 -3.572) 7.791 4.325 ( -9.491 1.847 0.608) 9.688 4.446 ( -8.064 7.759 -2.959) 11.576 4.570 ( 1.943 -4.398 1.876) 5.161 5.041 ( 5.701 -10.858 -9.488) 15.505 5.216 ( 3.396 -1.372 -2.105) 4.224 5.289 ( 3.130 1.556 -0.531) 3.535 5.594 ( 1.342 -2.616 1.840) 3.469 5.843 ( 0.827 -7.960 3.727) 8.828 6.193 ( 6.574 2.115 1.971) 7.182 6.496 ( 13.784 -7.992 8.374) 18.000 6.900 ( -8.857 2.925 4.554) 10.379 7.090 ( 1.511 -8.075 3.083) 8.775 7.595 ( -2.305 6.372 9.548) 11.708 7.903 ( -0.090 -4.506 6.974) 8.303 8.351 ( -1.433 1.322 -3.015) 3.591 8.404 ( -7.263 -0.761 0.670) 7.334 8.888 ( -2.084 0.223 0.679) 2.203 8.946 ( -5.887 -2.049 -2.428) 6.690 9.351 ( 0.032 7.782 0.806) 7.824 9.572 ( 3.060 -2.067 1.396) 3.948 10.199 ( -6.003 17.032 -0.928) 18.083 10.743 ( 0.046 -6.111 -4.723) 7.724 11.078 ( -0.075 3.900 0.095) 3.902 11.255 ( 0.970 -3.371 -7.970) 8.708 11.873 ( 10.678 -1.423 4.208) 11.565 12.179 ( 14.131 -15.073 0.413) 20.666 14.684 ( 0.987 4.292 8.995) 10.015 14.985 ( 6.248 -9.045 15.084) 18.665 17.020 ( -20.508 11.254 -7.254) 24.492 17.356 ( -14.201 -4.543 -4.247) 15.503 18.730 ( 10.664 0.507 1.711) 10.812 18.745 ( 12.608 0.216 -0.577) 12.623 ======================= Grid point 499 (252/260) ======================= q-point: ( 0.30 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.410 -0.201 -2.256) 2.302 2.130 ( -1.826 0.576 -5.972) 6.271 2.434 ( 3.640 5.028 -9.899) 11.684 2.581 ( 2.389 -2.048 -9.956) 10.442 2.876 ( 1.295 11.271 -14.707) 18.574 3.060 ( 0.542 0.568 -8.160) 8.198 3.165 ( 5.820 -3.314 2.114) 7.023 3.304 ( 0.698 -5.987 -6.219) 8.661 3.723 ( -9.708 13.274 -5.805) 17.439 3.902 ( -2.156 4.329 8.344) 9.644 4.197 ( -6.274 1.550 -1.284) 6.589 4.389 ( 1.429 -2.347 5.650) 6.282 4.673 ( 8.240 -2.214 -0.577) 8.552 4.890 ( -4.060 -10.500 -11.275) 15.933 5.357 ( 4.699 3.956 0.340) 6.152 5.420 ( 13.143 0.692 1.541) 13.251 5.653 ( 4.251 1.209 -1.673) 4.725 5.875 ( -3.605 -6.164 8.695) 11.251 6.275 ( 4.578 8.229 -4.405) 10.396 6.720 ( -4.305 -1.563 3.114) 5.539 6.806 ( 2.901 -3.553 6.111) 7.641 7.136 ( -0.431 -11.089 4.353) 11.920 7.670 ( -1.060 3.382 11.449) 11.985 7.918 ( -2.663 -6.256 1.923) 7.066 8.267 ( -8.630 -0.514 1.817) 8.834 8.289 ( -2.921 -0.144 -3.509) 4.568 8.844 ( -1.712 1.564 0.469) 2.366 8.917 ( 0.938 -0.891 1.351) 1.871 9.366 ( 0.532 9.348 2.195) 9.617 9.620 ( 1.681 -1.503 -0.267) 2.271 10.128 ( -1.190 15.298 -0.202) 15.346 10.640 ( -5.740 -7.502 -4.534) 10.478 11.113 ( 1.443 4.459 2.415) 5.272 11.216 ( 3.763 0.131 -9.668) 10.375 12.088 ( 10.162 -4.047 2.860) 11.306 12.375 ( 8.616 -16.769 -1.475) 18.910 14.848 ( 5.286 9.095 15.237) 18.516 15.278 ( 9.957 -9.832 17.553) 22.448 16.580 ( -20.002 13.186 -11.100) 26.404 17.033 ( -16.311 -7.601 -8.365) 19.845 18.918 ( 8.475 0.828 2.456) 8.862 18.938 ( 10.080 0.288 -0.765) 10.113 ======================= Grid point 500 (253/260) ======================= q-point: ( 0.40 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.270 -1.535 0.583) 1.665 2.051 ( -0.470 -2.144 0.727) 2.313 2.324 ( -5.323 0.534 -12.462) 13.561 2.378 ( -8.328 -2.142 -14.885) 17.191 2.871 ( 11.846 9.728 -5.291) 16.216 3.003 ( 1.166 -0.515 -5.283) 5.435 3.179 ( 0.885 6.948 -3.210) 7.705 3.410 ( -10.041 3.514 2.980) 11.047 3.581 ( 9.847 7.760 -2.023) 12.699 3.904 ( -6.958 1.181 9.177) 11.577 4.117 ( -0.505 -3.596 -0.220) 3.638 4.401 ( -4.616 -12.545 -5.384) 14.411 4.806 ( 5.822 -1.510 3.926) 7.182 4.858 ( 7.925 -1.885 -3.968) 9.061 5.432 ( 5.003 4.818 -0.886) 7.002 5.610 ( 3.348 -2.262 -2.197) 4.600 5.704 ( 6.154 4.135 0.883) 7.467 5.885 ( -3.890 -1.696 7.243) 8.394 6.296 ( 6.273 11.909 -8.929) 16.153 6.548 ( -15.328 8.779 7.053) 19.020 6.983 ( 8.691 -13.150 1.037) 15.797 7.148 ( -2.787 -13.175 3.912) 14.023 7.749 ( -0.987 0.237 9.136) 9.192 7.868 ( -2.029 -4.740 -2.847) 5.890 8.164 ( -5.519 -1.894 3.040) 6.580 8.197 ( -2.960 -2.423 -3.863) 5.436 8.866 ( 1.856 3.593 2.230) 4.618 8.938 ( 0.244 0.631 -0.149) 0.693 9.421 ( 2.034 10.605 4.961) 11.883 9.607 ( -1.315 4.821 -3.729) 6.235 10.168 ( 4.527 6.256 2.573) 8.139 10.483 ( -7.495 -5.818 -4.366) 10.444 11.153 ( -0.067 3.812 3.633) 5.266 11.198 ( 3.460 2.349 -8.198) 9.203 12.268 ( 7.812 -7.994 2.363) 11.425 12.443 ( 1.683 -15.721 -2.689) 16.038 15.141 ( 10.218 13.100 18.435) 24.817 15.602 ( 7.940 -4.009 11.342) 14.413 16.177 ( -12.181 7.997 -8.566) 16.903 16.648 ( -16.729 -10.099 -12.577) 23.239 19.054 ( 4.371 0.877 2.557) 5.139 19.067 ( 5.775 0.510 -1.294) 5.940 ======================= Grid point 501 (254/260) ======================= q-point: ( 0.50 0.38 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -3.986 0.266 -10.068) 10.832 2.096 ( 3.986 0.266 10.068) 10.832 2.157 ( -5.424 -4.231 -8.029) 10.573 2.157 ( 5.424 -4.231 8.029) 10.573 3.016 ( -1.767 1.872 0.065) 2.575 3.016 ( 1.767 1.872 -0.065) 2.575 3.194 ( 10.141 12.647 -5.939) 17.265 3.194 ( -10.141 12.647 5.939) 17.265 3.791 ( -1.517 2.770 -1.609) 3.544 3.791 ( 1.517 2.770 1.609) 3.544 4.217 ( -6.051 -11.074 -7.626) 14.745 4.217 ( 6.051 -11.074 7.626) 14.745 4.912 ( 1.532 -1.894 -6.151) 6.616 4.912 ( -1.532 -1.894 6.151) 6.616 5.531 ( -6.482 3.039 -0.312) 7.165 5.531 ( 6.482 3.039 0.312) 7.165 5.842 ( 2.431 0.241 -5.492) 6.011 5.842 ( -2.431 0.241 5.492) 6.011 6.372 ( 12.749 12.299 -9.605) 20.151 6.372 ( -12.749 12.299 9.605) 20.151 7.104 ( 1.354 -14.144 -2.593) 14.443 7.104 ( -1.354 -14.144 2.593) 14.443 7.809 ( -0.012 -2.445 -5.983) 6.463 7.809 ( 0.012 -2.445 5.983) 6.463 8.140 ( 1.102 -2.729 -4.040) 4.998 8.140 ( -1.102 -2.729 4.040) 4.998 8.918 ( -1.148 2.621 -1.986) 3.483 8.918 ( 1.148 2.621 1.986) 3.483 9.519 ( -0.437 9.774 -8.495) 12.957 9.519 ( 0.437 9.774 8.495) 12.957 10.310 ( -6.870 -1.762 -4.775) 8.550 10.310 ( 6.870 -1.762 4.775) 8.550 11.180 ( 1.757 3.337 -5.600) 6.751 11.180 ( -1.757 3.337 5.600) 6.751 12.395 ( -3.049 -12.355 -3.396) 13.171 12.395 ( 3.049 -12.355 3.396) 13.171 15.506 ( -11.633 14.236 -15.736) 24.199 15.506 ( 11.633 14.236 15.736) 24.199 16.253 ( -12.746 -10.377 -13.944) 21.554 16.253 ( 12.746 -10.377 13.944) 21.554 19.108 ( 0.793 0.746 -2.196) 2.451 19.108 ( -0.793 0.746 2.196) 2.451 ======================= Grid point 507 (255/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 0.000 0.000) 0.000 1.875 ( -0.000 0.000 0.000) 0.000 2.528 ( -0.000 0.000 0.000) 0.000 2.528 ( -0.000 0.000 0.000) 0.000 2.837 ( 0.000 -0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 3.754 ( -0.000 -0.000 -0.000) 0.000 3.754 ( -0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 -0.000) 0.000 4.635 ( -0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 -0.000) 0.000 4.716 ( -0.000 0.000 0.000) 0.000 5.443 ( -0.000 0.000 -0.000) 0.000 5.443 ( -0.000 0.000 0.000) 0.000 5.682 ( -0.000 -0.000 -0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.725 ( -0.000 -0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 6.970 ( -0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 8.418 ( -0.000 0.000 0.000) 0.000 8.418 ( -0.000 0.000 0.000) 0.000 9.099 ( -0.000 0.000 0.000) 0.000 9.099 ( 0.000 0.000 0.000) 0.000 9.433 ( -0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 10.615 ( 0.000 -0.000 0.000) 0.000 10.615 ( -0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.233 ( -0.000 -0.000 0.000) 0.000 11.607 ( -0.000 0.000 0.000) 0.000 11.607 ( -0.000 0.000 0.000) 0.000 14.635 ( -0.000 0.000 0.000) 0.000 14.635 ( 0.000 0.000 0.000) 0.000 17.663 ( -0.000 0.000 0.000) 0.000 17.663 ( -0.000 0.000 0.000) 0.000 18.436 ( -0.000 0.000 0.000) 0.000 18.436 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 511 (256/260) ======================= q-point: ( 0.10 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 12.605 -2.751 -1.332) 12.971 1.998 ( 12.605 2.751 -1.332) 12.971 2.489 ( -1.244 -3.809 -3.204) 5.131 2.489 ( -1.244 3.809 -3.204) 5.131 2.852 ( 2.513 -5.345 -2.551) 6.434 2.852 ( 2.513 5.345 -2.551) 6.434 3.635 ( -2.844 -5.196 -12.095) 13.468 3.635 ( -2.844 5.196 -12.095) 13.468 3.933 ( -0.417 -3.553 6.956) 7.822 3.933 ( -0.417 3.553 6.956) 7.822 4.517 ( -6.409 -2.769 -2.644) 7.465 4.517 ( -6.409 2.769 -2.644) 7.465 4.790 ( 4.091 -7.335 -4.284) 9.429 4.790 ( 4.091 7.335 -4.284) 9.429 5.270 ( -7.195 -4.568 -4.647) 9.707 5.270 ( -7.195 4.568 -4.647) 9.707 5.624 ( -2.004 -7.682 4.899) 9.329 5.624 ( -2.004 7.682 4.899) 9.329 6.027 ( 16.374 -4.889 5.399) 17.921 6.027 ( 16.374 4.889 5.399) 17.921 6.973 ( -1.331 -1.178 2.818) 3.332 6.973 ( -1.331 1.178 2.818) 3.332 7.746 ( -2.357 -5.786 4.805) 7.882 7.746 ( -2.357 5.786 4.805) 7.882 8.417 ( -0.409 -2.131 -0.017) 2.170 8.417 ( -0.409 2.131 -0.017) 2.170 9.022 ( -5.854 -2.781 -2.821) 7.068 9.022 ( -5.854 2.781 -2.821) 7.068 9.457 ( 1.183 -3.655 1.843) 4.261 9.457 ( 1.183 3.655 1.843) 4.261 10.595 ( -1.697 -9.593 -1.369) 9.837 10.595 ( -1.697 9.593 -1.369) 9.837 11.193 ( -0.925 -4.716 -3.377) 5.874 11.193 ( -0.925 4.716 -3.377) 5.874 11.723 ( 10.140 -5.655 2.115) 11.802 11.723 ( 10.140 5.655 2.115) 11.802 14.675 ( 1.199 -3.630 6.680) 7.696 14.675 ( 1.199 3.630 6.680) 7.696 17.528 ( -12.805 -4.376 -2.426) 13.747 17.528 ( -12.805 4.376 -2.426) 13.747 18.539 ( 10.194 -0.059 0.370) 10.201 18.539 ( 10.194 0.059 0.370) 10.201 ======================= Grid point 513 (257/260) ======================= q-point: ( 0.20 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 2.861 -5.240 -3.621) 6.982 2.139 ( 2.861 5.240 -3.621) 6.982 2.497 ( 6.991 -1.816 -5.457) 9.053 2.497 ( 6.991 1.816 -5.457) 9.053 2.902 ( 9.746 -3.864 -5.358) 11.774 2.902 ( 9.746 3.864 -5.358) 11.774 3.416 ( -10.492 -4.468 -12.070) 16.606 3.416 ( -10.492 4.468 -12.070) 16.606 3.964 ( -0.081 -0.953 2.355) 2.542 3.964 ( -0.081 0.953 2.355) 2.542 4.385 ( -8.070 -5.505 0.138) 9.770 4.385 ( -8.070 5.505 0.138) 9.770 4.741 ( 0.823 -14.321 -10.208) 17.606 4.741 ( 0.823 14.321 -10.208) 17.606 5.265 ( 5.843 -3.458 2.656) 7.290 5.265 ( 5.843 3.458 2.656) 7.290 5.661 ( -0.502 -7.450 7.493) 10.578 5.661 ( -0.502 7.450 7.493) 10.578 6.313 ( 13.195 -8.183 0.517) 15.535 6.313 ( 13.195 8.183 0.517) 15.535 6.966 ( -3.626 -3.958 4.443) 6.968 6.966 ( -3.626 3.958 4.443) 6.968 7.757 ( -3.234 -8.182 8.052) 11.926 7.757 ( -3.234 8.182 8.052) 11.926 8.384 ( -3.401 -1.438 -1.187) 3.879 8.384 ( -3.401 1.438 -1.187) 3.879 8.906 ( -4.111 -1.508 -0.985) 4.488 8.906 ( -4.111 1.508 -0.985) 4.488 9.493 ( 1.232 -5.336 1.544) 5.690 9.493 ( 1.232 5.336 1.544) 5.690 10.530 ( -4.066 -13.412 -1.870) 14.139 10.530 ( -4.066 13.412 -1.870) 14.139 11.173 ( 2.771 -4.363 -4.585) 6.909 11.173 ( 2.771 4.363 -4.585) 6.909 11.934 ( 11.312 -7.469 1.466) 13.634 11.934 ( 11.312 7.469 1.466) 13.634 14.808 ( 4.050 -7.287 12.932) 15.387 14.808 ( 4.050 7.287 12.932) 15.387 17.223 ( -17.386 -7.919 -5.816) 19.970 17.223 ( -17.386 7.919 -5.816) 19.970 18.741 ( 11.657 -0.480 0.808) 11.695 18.741 ( 11.657 0.480 0.808) 11.695 ======================= Grid point 515 (258/260) ======================= q-point: ( 0.30 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -3.575 -3.868 -3.288) 6.209 2.077 ( -3.575 3.868 -3.288) 6.209 2.521 ( 2.502 -3.353 -11.575) 12.307 2.521 ( 2.502 3.353 -11.575) 12.307 3.045 ( 2.570 -3.477 -12.016) 12.770 3.045 ( 2.570 3.477 -12.016) 12.770 3.177 ( 4.818 -4.519 -1.251) 6.723 3.177 ( 4.818 4.519 -1.251) 6.723 3.922 ( -7.972 -3.778 1.658) 8.976 3.922 ( -7.972 3.778 1.658) 8.976 4.277 ( -4.266 -5.981 -0.058) 7.346 4.277 ( -4.266 5.981 -0.058) 7.346 4.712 ( 5.099 -6.171 -5.159) 9.524 4.712 ( 5.099 6.171 -5.159) 9.524 5.419 ( 8.859 -1.469 -0.348) 8.986 5.419 ( 8.859 1.469 -0.348) 8.986 5.738 ( -0.300 -6.181 9.978) 11.741 5.738 ( -0.300 6.181 9.978) 11.741 6.488 ( 9.320 -12.050 -4.305) 15.831 6.488 ( 9.320 12.050 -4.305) 15.831 6.928 ( -5.831 -8.573 5.329) 11.657 6.928 ( -5.831 8.573 5.329) 11.657 7.777 ( -3.101 -6.341 7.634) 10.397 7.777 ( -3.101 6.341 7.634) 10.397 8.276 ( -6.382 -0.899 -2.303) 6.844 8.276 ( -6.382 0.899 -2.303) 6.844 8.884 ( 0.705 -1.970 1.573) 2.618 8.884 ( 0.705 1.970 1.573) 2.618 9.536 ( 2.084 -6.230 1.844) 6.823 9.536 ( 2.084 6.230 1.844) 6.823 10.431 ( -4.937 -12.346 -2.121) 13.465 10.431 ( -4.937 12.346 -2.121) 13.465 11.191 ( 3.757 -2.616 -4.305) 6.284 11.191 ( 3.757 2.616 -4.305) 6.284 12.114 ( 8.378 -7.052 0.179) 10.952 12.114 ( 8.378 7.052 0.179) 10.952 15.058 ( 8.535 -10.434 17.477) 22.072 15.058 ( 8.535 10.434 17.477) 22.072 16.837 ( -18.645 -10.763 -10.048) 23.758 16.837 ( -18.645 10.763 -10.048) 23.758 18.934 ( 9.290 -0.596 1.017) 9.364 18.934 ( 9.290 0.596 1.017) 9.364 ======================= Grid point 517 (259/260) ======================= q-point: ( 0.40 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -0.941 -1.112 1.436) 2.045 2.018 ( -0.941 1.112 1.436) 2.045 2.337 ( -7.449 -1.171 -14.911) 16.709 2.337 ( -7.449 1.171 -14.911) 16.709 2.983 ( 5.132 -2.398 -4.402) 7.174 2.983 ( 5.132 2.398 -4.402) 7.174 3.336 ( 4.938 -6.248 -1.734) 8.150 3.336 ( 4.938 6.248 -1.734) 8.150 3.816 ( -3.415 -8.819 4.226) 10.359 3.816 ( -3.415 8.819 4.226) 10.359 4.177 ( -6.086 -7.603 -3.244) 10.265 4.177 ( -6.086 7.603 -3.244) 10.265 4.812 ( 7.310 -1.878 0.070) 7.548 4.812 ( 7.310 1.878 0.070) 7.548 5.534 ( 5.977 -4.530 -2.772) 7.995 5.534 ( 5.977 4.530 -2.772) 7.995 5.813 ( -1.212 -5.045 7.906) 9.457 5.813 ( -1.212 5.045 7.906) 9.457 6.567 ( 5.383 -12.206 -5.246) 14.335 6.567 ( 5.383 12.206 -5.246) 14.335 6.878 ( -4.985 -9.918 4.779) 12.085 6.878 ( -4.985 9.918 4.779) 12.085 7.787 ( -2.096 -2.916 4.233) 5.551 7.787 ( -2.096 2.916 4.233) 5.551 8.159 ( -4.424 -1.073 -1.571) 4.816 8.159 ( -4.424 1.073 -1.571) 4.816 8.924 ( 1.524 -1.778 1.425) 2.741 8.924 ( 1.524 1.778 1.425) 2.741 9.597 ( 2.412 -5.187 2.094) 6.092 9.597 ( 2.412 5.187 2.094) 6.092 10.333 ( -3.737 -8.139 -1.879) 9.152 10.333 ( -3.737 8.139 -1.879) 9.152 11.213 ( 2.328 -1.301 -2.586) 3.715 11.213 ( 2.328 1.301 -2.586) 3.715 12.221 ( 4.121 -4.319 -0.363) 5.981 12.221 ( 4.121 4.319 -0.363) 5.981 15.410 ( 12.309 -11.843 18.231) 24.982 15.410 ( 12.309 11.843 18.231) 24.982 16.411 ( -17.453 -11.970 -13.499) 25.102 16.411 ( -17.453 11.970 -13.499) 25.102 19.068 ( 5.090 -0.379 0.713) 5.154 19.068 ( 5.090 0.379 0.713) 5.154 ======================= Grid point 519 (260/260) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -0.000 -0.000 -0.000) 0.000 2.092 ( 0.000 -0.000 -0.000) 0.000 2.110 ( -0.000 -0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 3.043 ( -0.000 0.000 -0.000) 0.000 3.043 ( -0.000 0.000 0.000) 0.000 3.323 ( -0.000 -0.000 0.000) 0.000 3.323 ( -0.000 0.000 0.000) 0.000 3.862 ( -0.000 0.000 -0.000) 0.000 3.862 ( -0.000 -0.000 0.000) 0.000 4.070 ( -0.000 0.000 0.000) 0.000 4.070 ( -0.000 0.000 0.000) 0.000 4.888 ( -0.000 0.000 0.000) 0.000 4.888 ( -0.000 0.000 0.000) 0.000 5.573 ( -0.000 0.000 -0.000) 0.000 5.573 ( 0.000 -0.000 0.000) 0.000 5.837 ( -0.000 0.000 0.000) 0.000 5.837 ( -0.000 0.000 0.000) 0.000 6.588 ( -0.000 0.000 0.000) 0.000 6.588 ( -0.000 0.000 0.000) 0.000 6.855 ( -0.000 -0.000 0.000) 0.000 6.855 ( -0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 -0.000) 0.000 7.787 ( -0.000 0.000 0.000) 0.000 8.111 ( -0.000 0.000 0.000) 0.000 8.111 ( -0.000 0.000 0.000) 0.000 8.946 ( -0.000 0.000 0.000) 0.000 8.946 ( -0.000 0.000 0.000) 0.000 9.633 ( -0.000 0.000 0.000) 0.000 9.633 ( -0.000 0.000 0.000) 0.000 10.288 ( -0.000 0.000 0.000) 0.000 10.288 ( -0.000 0.000 0.000) 0.000 11.222 ( -0.000 0.000 0.000) 0.000 11.222 ( -0.000 0.000 0.000) 0.000 12.254 ( -0.000 0.000 0.000) 0.000 12.254 ( -0.000 0.000 0.000) 0.000 15.696 ( -0.000 0.000 0.000) 0.000 15.696 ( 0.000 0.000 0.000) 0.000 16.103 ( -0.000 0.000 0.000) 0.000 16.103 ( -0.000 0.000 0.000) 0.000 19.116 ( -0.000 0.000 0.000) 0.000 19.116 ( -0.000 0.000 0.000) 0.000 =================== 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 3/33600 10.0 403.910 331.013 433.290 0.000 49.847 0.000 3/33600 20.0 99.890 68.891 83.240 0.000 8.025 0.000 3/33600 30.0 44.495 30.624 36.564 0.000 4.100 0.000 3/33600 40.0 27.112 18.821 22.081 0.000 2.747 0.000 3/33600 50.0 19.180 13.442 15.473 0.000 2.018 0.000 3/33600 60.0 14.755 10.425 11.792 0.000 1.568 0.000 3/33600 70.0 11.964 8.509 9.485 0.000 1.271 0.000 3/33600 80.0 10.056 7.190 7.924 0.000 1.062 0.000 3/33600 90.0 8.676 6.230 6.806 0.000 0.911 0.000 3/33600 100.0 7.636 5.502 5.971 0.000 0.796 0.000 3/33600 110.0 6.826 4.932 5.325 0.000 0.707 0.000 3/33600 120.0 6.179 4.474 4.812 0.000 0.637 0.000 3/33600 130.0 5.650 4.098 4.395 0.000 0.580 0.000 3/33600 140.0 5.210 3.783 4.049 0.000 0.533 0.000 3/33600 150.0 4.839 3.517 3.758 0.000 0.494 0.000 3/33600 160.0 4.521 3.288 3.509 0.000 0.460 0.000 3/33600 170.0 4.245 3.089 3.294 0.000 0.431 0.000 3/33600 180.0 4.003 2.914 3.105 0.000 0.406 0.000 3/33600 190.0 3.790 2.759 2.939 0.000 0.385 0.000 3/33600 200.0 3.600 2.620 2.790 0.000 0.365 0.000 3/33600 210.0 3.429 2.496 2.657 0.000 0.348 0.000 3/33600 220.0 3.275 2.383 2.537 0.000 0.332 0.000 3/33600 230.0 3.135 2.280 2.428 0.000 0.318 0.000 3/33600 240.0 3.008 2.187 2.328 0.000 0.305 0.000 3/33600 250.0 2.890 2.101 2.237 0.000 0.293 0.000 3/33600 260.0 2.782 2.021 2.153 0.000 0.282 0.000 3/33600 270.0 2.682 1.948 2.075 0.000 0.272 0.000 3/33600 280.0 2.590 1.880 2.002 0.000 0.263 0.000 3/33600 290.0 2.503 1.816 1.935 0.000 0.254 0.000 3/33600 300.0 2.423 1.757 1.872 0.000 0.246 0.000 3/33600 310.0 2.347 1.702 1.814 0.000 0.238 0.000 3/33600 320.0 2.277 1.650 1.759 0.000 0.231 0.000 3/33600 330.0 2.210 1.601 1.707 0.000 0.225 0.000 3/33600 340.0 2.148 1.555 1.658 0.000 0.218 0.000 3/33600 350.0 2.088 1.511 1.612 0.000 0.212 0.000 3/33600 360.0 2.032 1.470 1.568 0.000 0.207 0.000 3/33600 370.0 1.980 1.432 1.527 0.000 0.201 0.000 3/33600 380.0 1.929 1.395 1.488 0.000 0.196 0.000 3/33600 390.0 1.881 1.360 1.451 0.000 0.191 0.000 3/33600 400.0 1.836 1.327 1.416 0.000 0.187 0.000 3/33600 410.0 1.793 1.295 1.382 0.000 0.182 0.000 3/33600 420.0 1.751 1.265 1.350 0.000 0.178 0.000 3/33600 430.0 1.712 1.236 1.319 0.000 0.174 0.000 3/33600 440.0 1.674 1.208 1.290 0.000 0.170 0.000 3/33600 450.0 1.638 1.182 1.262 0.000 0.167 0.000 3/33600 460.0 1.604 1.157 1.235 0.000 0.163 0.000 3/33600 470.0 1.571 1.133 1.210 0.000 0.160 0.000 3/33600 480.0 1.539 1.109 1.185 0.000 0.157 0.000 3/33600 490.0 1.508 1.087 1.161 0.000 0.154 0.000 3/33600 500.0 1.479 1.066 1.139 0.000 0.151 0.000 3/33600 510.0 1.451 1.045 1.117 0.000 0.148 0.000 3/33600 520.0 1.424 1.026 1.096 0.000 0.145 0.000 3/33600 530.0 1.397 1.006 1.075 0.000 0.142 0.000 3/33600 540.0 1.372 0.988 1.056 0.000 0.140 0.000 3/33600 550.0 1.348 0.970 1.037 0.000 0.137 0.000 3/33600 560.0 1.324 0.953 1.019 0.000 0.135 0.000 3/33600 570.0 1.302 0.937 1.001 0.000 0.133 0.000 3/33600 580.0 1.280 0.921 0.984 0.000 0.130 0.000 3/33600 590.0 1.259 0.906 0.968 0.000 0.128 0.000 3/33600 600.0 1.238 0.891 0.952 0.000 0.126 0.000 3/33600 610.0 1.218 0.876 0.937 0.000 0.124 0.000 3/33600 620.0 1.199 0.862 0.922 0.000 0.122 0.000 3/33600 630.0 1.180 0.849 0.907 0.000 0.120 0.000 3/33600 640.0 1.162 0.836 0.894 0.000 0.119 0.000 3/33600 650.0 1.145 0.823 0.880 0.000 0.117 0.000 3/33600 660.0 1.128 0.811 0.867 0.000 0.115 0.000 3/33600 670.0 1.111 0.799 0.854 0.000 0.113 0.000 3/33600 680.0 1.095 0.787 0.842 0.000 0.112 0.000 3/33600 690.0 1.080 0.776 0.830 0.000 0.110 0.000 3/33600 700.0 1.064 0.765 0.818 0.000 0.109 0.000 3/33600 710.0 1.050 0.754 0.807 0.000 0.107 0.000 3/33600 720.0 1.035 0.744 0.796 0.000 0.106 0.000 3/33600 730.0 1.021 0.734 0.785 0.000 0.104 0.000 3/33600 740.0 1.008 0.724 0.774 0.000 0.103 0.000 3/33600 750.0 0.995 0.714 0.764 0.000 0.101 0.000 3/33600 760.0 0.982 0.705 0.754 0.000 0.100 0.000 3/33600 770.0 0.969 0.696 0.745 0.000 0.099 0.000 3/33600 780.0 0.957 0.687 0.735 0.000 0.098 0.000 3/33600 790.0 0.945 0.679 0.726 0.000 0.096 0.000 3/33600 800.0 0.933 0.670 0.717 0.000 0.095 0.000 3/33600 810.0 0.922 0.662 0.708 0.000 0.094 0.000 3/33600 820.0 0.911 0.654 0.700 0.000 0.093 0.000 3/33600 830.0 0.900 0.646 0.691 0.000 0.092 0.000 3/33600 840.0 0.890 0.639 0.683 0.000 0.091 0.000 3/33600 850.0 0.879 0.631 0.675 0.000 0.090 0.000 3/33600 860.0 0.869 0.624 0.667 0.000 0.089 0.000 3/33600 870.0 0.859 0.617 0.660 0.000 0.088 0.000 3/33600 880.0 0.850 0.610 0.652 0.000 0.087 0.000 3/33600 890.0 0.840 0.603 0.645 0.000 0.086 0.000 3/33600 900.0 0.831 0.596 0.638 0.000 0.085 0.000 3/33600 910.0 0.822 0.590 0.631 0.000 0.084 0.000 3/33600 920.0 0.813 0.583 0.624 0.000 0.083 0.000 3/33600 930.0 0.804 0.577 0.618 0.000 0.082 0.000 3/33600 940.0 0.796 0.571 0.611 0.000 0.081 0.000 3/33600 950.0 0.788 0.565 0.605 0.000 0.080 0.000 3/33600 960.0 0.780 0.559 0.598 0.000 0.080 0.000 3/33600 970.0 0.772 0.554 0.592 0.000 0.079 0.000 3/33600 980.0 0.764 0.548 0.586 0.000 0.078 0.000 3/33600 990.0 0.756 0.542 0.580 0.000 0.077 0.000 3/33600 1000.0 0.749 0.537 0.575 0.000 0.076 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m10810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:47:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|