----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:34:04]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.461957091599871 0.000000000000000 0.000000000000000 b 0.000000000000000 5.936443620000000 0.000000000000000 c -5.340054270569198 0.000000000000000 7.877323551798473 Atomic positions (fractional): *1 Pr 0.22585213097704 0.92404081780637 0.74732667417193 140.908 2 Pr 0.77414786902296 0.42404081780637 0.75267332582807 140.908 3 Pr 0.77414786902296 0.07595918219363 0.25267332582807 140.908 4 Pr 0.22585213097704 0.57595918219363 0.24732667417193 140.908 *5 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 *7 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 8 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 *9 O 0.15570088816660 0.67351268762145 0.95017797683855 15.999 10 O 0.84429911183340 0.17351268762145 0.54982202316145 15.999 11 O 0.84429911183340 0.32648731237855 0.04982202316145 15.999 12 O 0.15570088816660 0.82648731237855 0.45017797683855 15.999 *13 O 0.37962654837935 0.54206506610932 0.76714288131702 15.999 14 O 0.62037345162065 0.04206506610932 0.73285711868298 15.999 15 O 0.62037345162065 0.45793493389068 0.23285711868298 15.999 16 O 0.37962654837935 0.95793493389068 0.26714288131702 15.999 *17 O 0.27539999528551 0.21861705317867 0.93714273096636 15.999 18 O 0.72460000471449 0.71861705317867 0.56285726903364 15.999 19 O 0.72460000471449 0.78138294682133 0.06285726903364 15.999 20 O 0.27539999528551 0.28138294682133 0.43714273096636 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.461957091599871 0.000000000000000 0.000000000000000 b 0.000000000000000 5.936443620000000 0.000000000000000 c -5.340054270569198 0.000000000000000 7.877323551798473 Atomic positions (fractional): *1 Pr 0.22585213097704 0.92404081780637 0.74732667417193 140.908 > 1 2 Pr 0.77414786902296 0.42404081780637 0.75267332582807 140.908 > 2 3 Pr 0.77414786902296 0.07595918219363 0.25267332582807 140.908 > 3 4 Pr 0.22585213097704 0.57595918219363 0.24732667417193 140.908 > 4 *5 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 5 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 6 *7 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 > 7 8 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 > 8 *9 O 0.15570088816660 0.67351268762145 0.95017797683855 15.999 > 9 10 O 0.84429911183340 0.17351268762145 0.54982202316145 15.999 > 10 11 O 0.84429911183340 0.32648731237855 0.04982202316145 15.999 > 11 12 O 0.15570088816660 0.82648731237855 0.45017797683855 15.999 > 12 *13 O 0.37962654837935 0.54206506610932 0.76714288131702 15.999 > 13 14 O 0.62037345162065 0.04206506610932 0.73285711868298 15.999 > 14 15 O 0.62037345162065 0.45793493389068 0.23285711868298 15.999 > 15 16 O 0.37962654837935 0.95793493389068 0.26714288131702 15.999 > 16 *17 O 0.27539999528551 0.21861705317867 0.93714273096636 15.999 > 17 18 O 0.72460000471449 0.71861705317867 0.56285726903364 15.999 > 18 19 O 0.72460000471449 0.78138294682133 0.06285726903364 15.999 > 19 20 O 0.27539999528551 0.28138294682133 0.43714273096636 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.923914183199742 0.000000000000000 0.000000000000000 b 0.000000000000000 11.872887240000001 0.000000000000000 c -5.340054270569198 0.000000000000000 7.877323551798473 Atomic positions (fractional): *1 Pr 0.11292606548852 0.46202040890319 0.74732667417193 140.908 > 1 2 Pr 0.61292606548852 0.46202040890319 0.74732667417193 140.908 > 1 3 Pr 0.11292606548852 0.96202040890319 0.74732667417193 140.908 > 1 4 Pr 0.61292606548852 0.96202040890319 0.74732667417193 140.908 > 1 5 Pr 0.38707393451148 0.21202040890319 0.75267332582807 140.908 > 2 6 Pr 0.88707393451148 0.21202040890319 0.75267332582807 140.908 > 2 7 Pr 0.38707393451148 0.71202040890319 0.75267332582807 140.908 > 2 8 Pr 0.88707393451148 0.71202040890319 0.75267332582807 140.908 > 2 9 Pr 0.38707393451148 0.03797959109681 0.25267332582807 140.908 > 3 10 Pr 0.88707393451148 0.03797959109681 0.25267332582807 140.908 > 3 11 Pr 0.38707393451148 0.53797959109681 0.25267332582807 140.908 > 3 12 Pr 0.88707393451148 0.53797959109681 0.25267332582807 140.908 > 3 13 Pr 0.11292606548852 0.28797959109681 0.24732667417193 140.908 > 4 14 Pr 0.61292606548852 0.28797959109681 0.24732667417193 140.908 > 4 15 Pr 0.11292606548852 0.78797959109681 0.24732667417193 140.908 > 4 16 Pr 0.61292606548852 0.78797959109681 0.24732667417193 140.908 > 4 *17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 5 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 5 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 5 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 5 21 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 6 22 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 6 23 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 6 24 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 6 *25 Ru 0.25000000000000 0.25000000000000 0.00000000000000 101.070 > 7 26 Ru 0.75000000000000 0.25000000000000 0.00000000000000 101.070 > 7 27 Ru 0.25000000000000 0.75000000000000 0.00000000000000 101.070 > 7 28 Ru 0.75000000000000 0.75000000000000 0.00000000000000 101.070 > 7 29 Ru 0.25000000000000 0.00000000000000 0.50000000000000 101.070 > 8 30 Ru 0.75000000000000 0.00000000000000 0.50000000000000 101.070 > 8 31 Ru 0.25000000000000 0.50000000000000 0.50000000000000 101.070 > 8 32 Ru 0.75000000000000 0.50000000000000 0.50000000000000 101.070 > 8 *33 O 0.07785044408330 0.33675634381073 0.95017797683855 15.999 > 9 34 O 0.57785044408330 0.33675634381073 0.95017797683855 15.999 > 9 35 O 0.07785044408330 0.83675634381073 0.95017797683855 15.999 > 9 36 O 0.57785044408330 0.83675634381073 0.95017797683855 15.999 > 9 37 O 0.42214955591670 0.08675634381073 0.54982202316145 15.999 > 10 38 O 0.92214955591670 0.08675634381073 0.54982202316145 15.999 > 10 39 O 0.42214955591670 0.58675634381073 0.54982202316145 15.999 > 10 40 O 0.92214955591670 0.58675634381073 0.54982202316145 15.999 > 10 41 O 0.42214955591670 0.16324365618927 0.04982202316145 15.999 > 11 42 O 0.92214955591670 0.16324365618927 0.04982202316145 15.999 > 11 43 O 0.42214955591670 0.66324365618927 0.04982202316145 15.999 > 11 44 O 0.92214955591670 0.66324365618927 0.04982202316145 15.999 > 11 45 O 0.07785044408330 0.41324365618927 0.45017797683855 15.999 > 12 46 O 0.57785044408330 0.41324365618927 0.45017797683855 15.999 > 12 47 O 0.07785044408330 0.91324365618927 0.45017797683855 15.999 > 12 48 O 0.57785044408330 0.91324365618927 0.45017797683855 15.999 > 12 *49 O 0.18981327418967 0.27103253305466 0.76714288131702 15.999 > 13 50 O 0.68981327418967 0.27103253305466 0.76714288131702 15.999 > 13 51 O 0.18981327418967 0.77103253305466 0.76714288131702 15.999 > 13 52 O 0.68981327418967 0.77103253305466 0.76714288131702 15.999 > 13 53 O 0.31018672581033 0.02103253305466 0.73285711868298 15.999 > 14 54 O 0.81018672581033 0.02103253305466 0.73285711868298 15.999 > 14 55 O 0.31018672581033 0.52103253305466 0.73285711868298 15.999 > 14 56 O 0.81018672581033 0.52103253305466 0.73285711868298 15.999 > 14 57 O 0.31018672581033 0.22896746694534 0.23285711868298 15.999 > 15 58 O 0.81018672581033 0.22896746694534 0.23285711868298 15.999 > 15 59 O 0.31018672581033 0.72896746694534 0.23285711868298 15.999 > 15 60 O 0.81018672581033 0.72896746694534 0.23285711868298 15.999 > 15 61 O 0.18981327418967 0.47896746694534 0.26714288131702 15.999 > 16 62 O 0.68981327418967 0.47896746694534 0.26714288131702 15.999 > 16 63 O 0.18981327418967 0.97896746694534 0.26714288131702 15.999 > 16 64 O 0.68981327418967 0.97896746694534 0.26714288131702 15.999 > 16 *65 O 0.13769999764276 0.10930852658933 0.93714273096636 15.999 > 17 66 O 0.63769999764276 0.10930852658933 0.93714273096636 15.999 > 17 67 O 0.13769999764276 0.60930852658933 0.93714273096636 15.999 > 17 68 O 0.63769999764276 0.60930852658933 0.93714273096636 15.999 > 17 69 O 0.36230000235724 0.35930852658933 0.56285726903364 15.999 > 18 70 O 0.86230000235724 0.35930852658933 0.56285726903364 15.999 > 18 71 O 0.36230000235724 0.85930852658933 0.56285726903364 15.999 > 18 72 O 0.86230000235724 0.85930852658933 0.56285726903364 15.999 > 18 73 O 0.36230000235724 0.39069147341067 0.06285726903364 15.999 > 19 74 O 0.86230000235724 0.39069147341067 0.06285726903364 15.999 > 19 75 O 0.36230000235724 0.89069147341067 0.06285726903364 15.999 > 19 76 O 0.86230000235724 0.89069147341067 0.06285726903364 15.999 > 19 77 O 0.13769999764276 0.14069147341067 0.43714273096636 15.999 > 20 78 O 0.63769999764276 0.14069147341067 0.43714273096636 15.999 > 20 79 O 0.13769999764276 0.64069147341067 0.43714273096636 15.999 > 20 80 O 0.63769999764276 0.64069147341067 0.43714273096636 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 356.1654085 0.0000000 218.5488194 0.0000000 2742.1207100 0.0000000 218.4380034 0.0000000 2013.3014354 -------------------------- Born effective charges -------------------------- 1 Pr 5.0617048 0.7693565 0.9106783 -0.2623586 5.2545636 -3.1314238 4.9644011 -0.0433570 1.9043445 2 Pr 5.0617048 -0.7693565 0.9106783 0.2623586 5.2545636 3.1314238 4.9644011 0.0433570 1.9043445 3 Pr 5.0617048 0.7693565 0.9106783 -0.2623586 5.2545636 -3.1314238 4.9644011 -0.0433570 1.9043445 4 Pr 5.0617048 -0.7693565 0.9106783 0.2623586 5.2545636 3.1314238 4.9644011 0.0433570 1.9043445 5 Na 1.2714833 -0.0376104 -0.3321059 -0.7754002 2.7481949 0.4675231 0.7973388 0.1114027 2.0076419 6 Na 1.2714833 0.0376104 -0.3321059 0.7754002 2.7481949 -0.4675231 0.7973388 -0.1114027 2.0076419 7 Ru 5.5381796 2.7779969 -0.6461621 15.5650640 6.9707285 9.0645502 12.3798578 6.8318735 14.8686463 8 Ru 5.5381796 -2.7779969 -0.6461621 -15.5650640 6.9707285 -9.0645502 12.3798578 -6.8318735 14.8686463 9 O -2.4588830 1.0563046 -1.0615519 -5.8220208 -11.7639027 -1.4320168 -3.8106166 -3.9392676 -4.1191839 10 O -2.4588830 -1.0563046 -1.0615519 5.8220208 -11.7639027 1.4320168 -3.8106166 3.9392676 -4.1191839 11 O -2.4588830 1.0563046 -1.0615519 -5.8220208 -11.7639027 -1.4320168 -3.8106166 -3.9392676 -4.1191839 12 O -2.4588830 -1.0563046 -1.0615519 5.8220208 -11.7639027 1.4320168 -3.8106166 3.9392676 -4.1191839 13 O -3.6911561 0.0976218 1.3532787 -0.1969662 4.9433258 -1.1814613 -7.8347757 5.9916464 -5.4292210 14 O -3.6911561 -0.0976218 1.3532787 0.1969662 4.9433258 1.1814613 -7.8347757 -5.9916464 -5.4292210 15 O -3.6911561 0.0976218 1.3532787 -0.1969662 4.9433258 -1.1814613 -7.8347757 5.9916464 -5.4292210 16 O -3.6911561 -0.0976218 1.3532787 0.1969662 4.9433258 1.1814613 -7.8347757 -5.9916464 -5.4292210 17 O -2.3164971 -0.6993522 -0.7132711 -3.2060485 -3.2934485 0.6212812 0.0923929 -4.1709932 -0.7940837 18 O -2.3164971 0.6993522 -0.7132711 3.2060485 -3.2934485 -0.6212812 0.0923929 4.1709932 -0.7940837 19 O -2.3164971 -0.6993522 -0.7132711 -3.2060485 -3.2934485 0.6212812 0.0923929 -4.1709932 -0.7940837 20 O -2.3164971 0.6993522 -0.7132711 3.2060485 -3.2934485 -0.6212812 0.0923929 4.1709932 -0.7940837 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.211 Solver_block: 200 / 640 - Time: 2.177 Solver_block: 300 / 640 - Time: 2.171 Solver_block: 400 / 640 - Time: 2.172 Solver_block: 500 / 640 - Time: 2.167 Solver_block: 600 / 640 - Time: 2.171 Solver_block: 640 / 640 - Time: 0.930 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.046 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:34:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:34:38]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.461957091599871 0.000000000000000 0.000000000000000 b 0.000000000000000 5.936443620000000 0.000000000000000 c -5.340054270569198 0.000000000000000 7.877323551798473 Atomic positions (fractional): 1 Pr 0.22585213097704 0.92404081780637 0.74732667417193 140.908 2 Pr 0.77414786902296 0.42404081780637 0.75267332582807 140.908 3 Pr 0.77414786902296 0.07595918219363 0.25267332582807 140.908 4 Pr 0.22585213097704 0.57595918219363 0.24732667417193 140.908 5 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 7 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 8 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 9 O 0.15570088816660 0.67351268762145 0.95017797683855 15.999 10 O 0.84429911183340 0.17351268762145 0.54982202316145 15.999 11 O 0.84429911183340 0.32648731237855 0.04982202316145 15.999 12 O 0.15570088816660 0.82648731237855 0.45017797683855 15.999 13 O 0.37962654837935 0.54206506610932 0.76714288131702 15.999 14 O 0.62037345162065 0.04206506610932 0.73285711868298 15.999 15 O 0.62037345162065 0.45793493389068 0.23285711868298 15.999 16 O 0.37962654837935 0.95793493389068 0.26714288131702 15.999 17 O 0.27539999528551 0.21861705317867 0.93714273096636 15.999 18 O 0.72460000471449 0.71861705317867 0.56285726903364 15.999 19 O 0.72460000471449 0.78138294682133 0.06285726903364 15.999 20 O 0.27539999528551 0.28138294682133 0.43714273096636 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.923914183199742 0.000000000000000 0.000000000000000 b 0.000000000000000 11.872887240000001 0.000000000000000 c -5.340054270569198 0.000000000000000 7.877323551798473 Atomic positions (fractional): 1 Pr 0.11292606548852 0.46202040890319 0.74732667417193 140.908 > 1 2 Pr 0.61292606548852 0.46202040890319 0.74732667417193 140.908 > 1 3 Pr 0.11292606548852 0.96202040890319 0.74732667417193 140.908 > 1 4 Pr 0.61292606548852 0.96202040890319 0.74732667417193 140.908 > 1 5 Pr 0.38707393451148 0.21202040890319 0.75267332582807 140.908 > 5 6 Pr 0.88707393451148 0.21202040890319 0.75267332582807 140.908 > 5 7 Pr 0.38707393451148 0.71202040890319 0.75267332582807 140.908 > 5 8 Pr 0.88707393451148 0.71202040890319 0.75267332582807 140.908 > 5 9 Pr 0.38707393451148 0.03797959109681 0.25267332582807 140.908 > 9 10 Pr 0.88707393451148 0.03797959109681 0.25267332582807 140.908 > 9 11 Pr 0.38707393451148 0.53797959109681 0.25267332582807 140.908 > 9 12 Pr 0.88707393451148 0.53797959109681 0.25267332582807 140.908 > 9 13 Pr 0.11292606548852 0.28797959109681 0.24732667417193 140.908 > 13 14 Pr 0.61292606548852 0.28797959109681 0.24732667417193 140.908 > 13 15 Pr 0.11292606548852 0.78797959109681 0.24732667417193 140.908 > 13 16 Pr 0.61292606548852 0.78797959109681 0.24732667417193 140.908 > 13 17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 17 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 17 21 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 21 22 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 21 23 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 21 24 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 21 25 Ru 0.25000000000000 0.25000000000000 0.00000000000000 101.070 > 25 26 Ru 0.75000000000000 0.25000000000000 0.00000000000000 101.070 > 25 27 Ru 0.25000000000000 0.75000000000000 0.00000000000000 101.070 > 25 28 Ru 0.75000000000000 0.75000000000000 0.00000000000000 101.070 > 25 29 Ru 0.25000000000000 0.00000000000000 0.50000000000000 101.070 > 29 30 Ru 0.75000000000000 0.00000000000000 0.50000000000000 101.070 > 29 31 Ru 0.25000000000000 0.50000000000000 0.50000000000000 101.070 > 29 32 Ru 0.75000000000000 0.50000000000000 0.50000000000000 101.070 > 29 33 O 0.07785044408330 0.33675634381073 0.95017797683855 15.999 > 33 34 O 0.57785044408330 0.33675634381073 0.95017797683855 15.999 > 33 35 O 0.07785044408330 0.83675634381073 0.95017797683855 15.999 > 33 36 O 0.57785044408330 0.83675634381073 0.95017797683855 15.999 > 33 37 O 0.42214955591670 0.08675634381073 0.54982202316145 15.999 > 37 38 O 0.92214955591670 0.08675634381073 0.54982202316145 15.999 > 37 39 O 0.42214955591670 0.58675634381073 0.54982202316145 15.999 > 37 40 O 0.92214955591670 0.58675634381073 0.54982202316145 15.999 > 37 41 O 0.42214955591670 0.16324365618927 0.04982202316145 15.999 > 41 42 O 0.92214955591670 0.16324365618927 0.04982202316145 15.999 > 41 43 O 0.42214955591670 0.66324365618927 0.04982202316145 15.999 > 41 44 O 0.92214955591670 0.66324365618927 0.04982202316145 15.999 > 41 45 O 0.07785044408330 0.41324365618927 0.45017797683855 15.999 > 45 46 O 0.57785044408330 0.41324365618927 0.45017797683855 15.999 > 45 47 O 0.07785044408330 0.91324365618927 0.45017797683855 15.999 > 45 48 O 0.57785044408330 0.91324365618927 0.45017797683855 15.999 > 45 49 O 0.18981327418967 0.27103253305466 0.76714288131702 15.999 > 49 50 O 0.68981327418967 0.27103253305466 0.76714288131702 15.999 > 49 51 O 0.18981327418967 0.77103253305466 0.76714288131702 15.999 > 49 52 O 0.68981327418967 0.77103253305466 0.76714288131702 15.999 > 49 53 O 0.31018672581033 0.02103253305466 0.73285711868298 15.999 > 53 54 O 0.81018672581033 0.02103253305466 0.73285711868298 15.999 > 53 55 O 0.31018672581033 0.52103253305466 0.73285711868298 15.999 > 53 56 O 0.81018672581033 0.52103253305466 0.73285711868298 15.999 > 53 57 O 0.31018672581033 0.22896746694534 0.23285711868298 15.999 > 57 58 O 0.81018672581033 0.22896746694534 0.23285711868298 15.999 > 57 59 O 0.31018672581033 0.72896746694534 0.23285711868298 15.999 > 57 60 O 0.81018672581033 0.72896746694534 0.23285711868298 15.999 > 57 61 O 0.18981327418967 0.47896746694534 0.26714288131702 15.999 > 61 62 O 0.68981327418967 0.47896746694534 0.26714288131702 15.999 > 61 63 O 0.18981327418967 0.97896746694534 0.26714288131702 15.999 > 61 64 O 0.68981327418967 0.97896746694534 0.26714288131702 15.999 > 61 65 O 0.13769999764276 0.10930852658933 0.93714273096636 15.999 > 65 66 O 0.63769999764276 0.10930852658933 0.93714273096636 15.999 > 65 67 O 0.13769999764276 0.60930852658933 0.93714273096636 15.999 > 65 68 O 0.63769999764276 0.60930852658933 0.93714273096636 15.999 > 65 69 O 0.36230000235724 0.35930852658933 0.56285726903364 15.999 > 69 70 O 0.86230000235724 0.35930852658933 0.56285726903364 15.999 > 69 71 O 0.36230000235724 0.85930852658933 0.56285726903364 15.999 > 69 72 O 0.86230000235724 0.85930852658933 0.56285726903364 15.999 > 69 73 O 0.36230000235724 0.39069147341067 0.06285726903364 15.999 > 73 74 O 0.86230000235724 0.39069147341067 0.06285726903364 15.999 > 73 75 O 0.36230000235724 0.89069147341067 0.06285726903364 15.999 > 73 76 O 0.86230000235724 0.89069147341067 0.06285726903364 15.999 > 73 77 O 0.13769999764276 0.14069147341067 0.43714273096636 15.999 > 77 78 O 0.63769999764276 0.14069147341067 0.43714273096636 15.999 > 77 79 O 0.13769999764276 0.64069147341067 0.43714273096636 15.999 > 77 80 O 0.63769999764276 0.64069147341067 0.43714273096636 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 356.1654085 0.0000000 218.5488194 0.0000000 2742.1207100 0.0000000 218.4380034 0.0000000 2013.3014354 -------------------------- Born effective charges -------------------------- 1 Pr 5.0617048 0.7693565 0.9106783 -0.2623586 5.2545636 -3.1314238 4.9644011 -0.0433570 1.9043445 2 Pr 5.0617048 -0.7693565 0.9106783 0.2623586 5.2545636 3.1314238 4.9644011 0.0433570 1.9043445 3 Pr 5.0617048 0.7693565 0.9106783 -0.2623586 5.2545636 -3.1314238 4.9644011 -0.0433570 1.9043445 4 Pr 5.0617048 -0.7693565 0.9106783 0.2623586 5.2545636 3.1314238 4.9644011 0.0433570 1.9043445 5 Na 1.2714833 -0.0376104 -0.3321059 -0.7754002 2.7481949 0.4675231 0.7973388 0.1114027 2.0076419 6 Na 1.2714833 0.0376104 -0.3321059 0.7754002 2.7481949 -0.4675231 0.7973388 -0.1114027 2.0076419 7 Ru 5.5381796 2.7779969 -0.6461621 15.5650640 6.9707285 9.0645502 12.3798578 6.8318735 14.8686463 8 Ru 5.5381796 -2.7779969 -0.6461621 -15.5650640 6.9707285 -9.0645502 12.3798578 -6.8318735 14.8686463 9 O -2.4588830 1.0563046 -1.0615519 -5.8220208 -11.7639027 -1.4320168 -3.8106166 -3.9392676 -4.1191839 10 O -2.4588830 -1.0563046 -1.0615519 5.8220208 -11.7639027 1.4320168 -3.8106166 3.9392676 -4.1191839 11 O -2.4588830 1.0563046 -1.0615519 -5.8220208 -11.7639027 -1.4320168 -3.8106166 -3.9392676 -4.1191839 12 O -2.4588830 -1.0563046 -1.0615519 5.8220208 -11.7639027 1.4320168 -3.8106166 3.9392676 -4.1191839 13 O -3.6911561 0.0976218 1.3532787 -0.1969662 4.9433258 -1.1814613 -7.8347757 5.9916464 -5.4292210 14 O -3.6911561 -0.0976218 1.3532787 0.1969662 4.9433258 1.1814613 -7.8347757 -5.9916464 -5.4292210 15 O -3.6911561 0.0976218 1.3532787 -0.1969662 4.9433258 -1.1814613 -7.8347757 5.9916464 -5.4292210 16 O -3.6911561 -0.0976218 1.3532787 0.1969662 4.9433258 1.1814613 -7.8347757 -5.9916464 -5.4292210 17 O -2.3164971 -0.6993522 -0.7132711 -3.2060485 -3.2934485 0.6212812 0.0923929 -4.1709932 -0.7940837 18 O -2.3164971 0.6993522 -0.7132711 3.2060485 -3.2934485 -0.6212812 0.0923929 4.1709932 -0.7940837 19 O -2.3164971 -0.6993522 -0.7132711 -3.2060485 -3.2934485 0.6212812 0.0923929 -4.1709932 -0.7940837 20 O -2.3164971 0.6993522 -0.7132711 3.2060485 -3.2934485 -0.6212812 0.0923929 4.1709932 -0.7940837 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000060 (xz) 0.00000060 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:34:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:34:54]------------------------- 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 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.461957091599871 0.000000000000000 0.000000000000000 b 0.000000000000000 5.936443620000000 0.000000000000000 c -5.340054270569198 0.000000000000000 7.877323551798473 Atomic positions (fractional): 1 Pr 0.22585213097704 0.92404081780637 0.74732667417193 140.908 2 Pr 0.77414786902296 0.42404081780637 0.75267332582807 140.908 3 Pr 0.77414786902296 0.07595918219363 0.25267332582807 140.908 4 Pr 0.22585213097704 0.57595918219363 0.24732667417193 140.908 5 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 6 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 7 Ru 0.50000000000000 0.50000000000000 0.00000000000000 101.070 8 Ru 0.50000000000000 0.00000000000000 0.50000000000000 101.070 9 O 0.15570088816660 0.67351268762145 0.95017797683855 15.999 10 O 0.84429911183340 0.17351268762145 0.54982202316145 15.999 11 O 0.84429911183340 0.32648731237855 0.04982202316145 15.999 12 O 0.15570088816660 0.82648731237855 0.45017797683855 15.999 13 O 0.37962654837935 0.54206506610932 0.76714288131702 15.999 14 O 0.62037345162065 0.04206506610932 0.73285711868298 15.999 15 O 0.62037345162065 0.45793493389068 0.23285711868298 15.999 16 O 0.37962654837935 0.95793493389068 0.26714288131702 15.999 17 O 0.27539999528551 0.21861705317867 0.93714273096636 15.999 18 O 0.72460000471449 0.71861705317867 0.56285726903364 15.999 19 O 0.72460000471449 0.78138294682133 0.06285726903364 15.999 20 O 0.27539999528551 0.28138294682133 0.43714273096636 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.923914183199742 0.000000000000000 0.000000000000000 b 0.000000000000000 11.872887240000001 0.000000000000000 c -5.340054270569198 0.000000000000000 7.877323551798473 Atomic positions (fractional): 1 Pr 0.11292606548852 0.46202040890319 0.74732667417193 140.908 > 1 2 Pr 0.61292606548852 0.46202040890319 0.74732667417193 140.908 > 1 3 Pr 0.11292606548852 0.96202040890319 0.74732667417193 140.908 > 1 4 Pr 0.61292606548852 0.96202040890319 0.74732667417193 140.908 > 1 5 Pr 0.38707393451148 0.21202040890319 0.75267332582807 140.908 > 5 6 Pr 0.88707393451148 0.21202040890319 0.75267332582807 140.908 > 5 7 Pr 0.38707393451148 0.71202040890319 0.75267332582807 140.908 > 5 8 Pr 0.88707393451148 0.71202040890319 0.75267332582807 140.908 > 5 9 Pr 0.38707393451148 0.03797959109681 0.25267332582807 140.908 > 9 10 Pr 0.88707393451148 0.03797959109681 0.25267332582807 140.908 > 9 11 Pr 0.38707393451148 0.53797959109681 0.25267332582807 140.908 > 9 12 Pr 0.88707393451148 0.53797959109681 0.25267332582807 140.908 > 9 13 Pr 0.11292606548852 0.28797959109681 0.24732667417193 140.908 > 13 14 Pr 0.61292606548852 0.28797959109681 0.24732667417193 140.908 > 13 15 Pr 0.11292606548852 0.78797959109681 0.24732667417193 140.908 > 13 16 Pr 0.61292606548852 0.78797959109681 0.24732667417193 140.908 > 13 17 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 17 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 17 21 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 21 22 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 21 23 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 21 24 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 21 25 Ru 0.25000000000000 0.25000000000000 0.00000000000000 101.070 > 25 26 Ru 0.75000000000000 0.25000000000000 0.00000000000000 101.070 > 25 27 Ru 0.25000000000000 0.75000000000000 0.00000000000000 101.070 > 25 28 Ru 0.75000000000000 0.75000000000000 0.00000000000000 101.070 > 25 29 Ru 0.25000000000000 0.00000000000000 0.50000000000000 101.070 > 29 30 Ru 0.75000000000000 0.00000000000000 0.50000000000000 101.070 > 29 31 Ru 0.25000000000000 0.50000000000000 0.50000000000000 101.070 > 29 32 Ru 0.75000000000000 0.50000000000000 0.50000000000000 101.070 > 29 33 O 0.07785044408330 0.33675634381073 0.95017797683855 15.999 > 33 34 O 0.57785044408330 0.33675634381073 0.95017797683855 15.999 > 33 35 O 0.07785044408330 0.83675634381073 0.95017797683855 15.999 > 33 36 O 0.57785044408330 0.83675634381073 0.95017797683855 15.999 > 33 37 O 0.42214955591670 0.08675634381073 0.54982202316145 15.999 > 37 38 O 0.92214955591670 0.08675634381073 0.54982202316145 15.999 > 37 39 O 0.42214955591670 0.58675634381073 0.54982202316145 15.999 > 37 40 O 0.92214955591670 0.58675634381073 0.54982202316145 15.999 > 37 41 O 0.42214955591670 0.16324365618927 0.04982202316145 15.999 > 41 42 O 0.92214955591670 0.16324365618927 0.04982202316145 15.999 > 41 43 O 0.42214955591670 0.66324365618927 0.04982202316145 15.999 > 41 44 O 0.92214955591670 0.66324365618927 0.04982202316145 15.999 > 41 45 O 0.07785044408330 0.41324365618927 0.45017797683855 15.999 > 45 46 O 0.57785044408330 0.41324365618927 0.45017797683855 15.999 > 45 47 O 0.07785044408330 0.91324365618927 0.45017797683855 15.999 > 45 48 O 0.57785044408330 0.91324365618927 0.45017797683855 15.999 > 45 49 O 0.18981327418967 0.27103253305466 0.76714288131702 15.999 > 49 50 O 0.68981327418967 0.27103253305466 0.76714288131702 15.999 > 49 51 O 0.18981327418967 0.77103253305466 0.76714288131702 15.999 > 49 52 O 0.68981327418967 0.77103253305466 0.76714288131702 15.999 > 49 53 O 0.31018672581033 0.02103253305466 0.73285711868298 15.999 > 53 54 O 0.81018672581033 0.02103253305466 0.73285711868298 15.999 > 53 55 O 0.31018672581033 0.52103253305466 0.73285711868298 15.999 > 53 56 O 0.81018672581033 0.52103253305466 0.73285711868298 15.999 > 53 57 O 0.31018672581033 0.22896746694534 0.23285711868298 15.999 > 57 58 O 0.81018672581033 0.22896746694534 0.23285711868298 15.999 > 57 59 O 0.31018672581033 0.72896746694534 0.23285711868298 15.999 > 57 60 O 0.81018672581033 0.72896746694534 0.23285711868298 15.999 > 57 61 O 0.18981327418967 0.47896746694534 0.26714288131702 15.999 > 61 62 O 0.68981327418967 0.47896746694534 0.26714288131702 15.999 > 61 63 O 0.18981327418967 0.97896746694534 0.26714288131702 15.999 > 61 64 O 0.68981327418967 0.97896746694534 0.26714288131702 15.999 > 61 65 O 0.13769999764276 0.10930852658933 0.93714273096636 15.999 > 65 66 O 0.63769999764276 0.10930852658933 0.93714273096636 15.999 > 65 67 O 0.13769999764276 0.60930852658933 0.93714273096636 15.999 > 65 68 O 0.63769999764276 0.60930852658933 0.93714273096636 15.999 > 65 69 O 0.36230000235724 0.35930852658933 0.56285726903364 15.999 > 69 70 O 0.86230000235724 0.35930852658933 0.56285726903364 15.999 > 69 71 O 0.36230000235724 0.85930852658933 0.56285726903364 15.999 > 69 72 O 0.86230000235724 0.85930852658933 0.56285726903364 15.999 > 69 73 O 0.36230000235724 0.39069147341067 0.06285726903364 15.999 > 73 74 O 0.86230000235724 0.39069147341067 0.06285726903364 15.999 > 73 75 O 0.36230000235724 0.89069147341067 0.06285726903364 15.999 > 73 76 O 0.86230000235724 0.89069147341067 0.06285726903364 15.999 > 73 77 O 0.13769999764276 0.14069147341067 0.43714273096636 15.999 > 77 78 O 0.63769999764276 0.14069147341067 0.43714273096636 15.999 > 77 79 O 0.13769999764276 0.64069147341067 0.43714273096636 15.999 > 77 80 O 0.63769999764276 0.64069147341067 0.43714273096636 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 356.1654085 0.0000000 218.5488194 0.0000000 2742.1207100 0.0000000 218.4380034 0.0000000 2013.3014354 -------------------------- Born effective charges -------------------------- 1 Pr 5.0617048 0.7693565 0.9106783 -0.2623586 5.2545636 -3.1314238 4.9644011 -0.0433570 1.9043445 2 Pr 5.0617048 -0.7693565 0.9106783 0.2623586 5.2545636 3.1314238 4.9644011 0.0433570 1.9043445 3 Pr 5.0617048 0.7693565 0.9106783 -0.2623586 5.2545636 -3.1314238 4.9644011 -0.0433570 1.9043445 4 Pr 5.0617048 -0.7693565 0.9106783 0.2623586 5.2545636 3.1314238 4.9644011 0.0433570 1.9043445 5 Na 1.2714833 -0.0376104 -0.3321059 -0.7754002 2.7481949 0.4675231 0.7973388 0.1114027 2.0076419 6 Na 1.2714833 0.0376104 -0.3321059 0.7754002 2.7481949 -0.4675231 0.7973388 -0.1114027 2.0076419 7 Ru 5.5381796 2.7779969 -0.6461621 15.5650640 6.9707285 9.0645502 12.3798578 6.8318735 14.8686463 8 Ru 5.5381796 -2.7779969 -0.6461621 -15.5650640 6.9707285 -9.0645502 12.3798578 -6.8318735 14.8686463 9 O -2.4588830 1.0563046 -1.0615519 -5.8220208 -11.7639027 -1.4320168 -3.8106166 -3.9392676 -4.1191839 10 O -2.4588830 -1.0563046 -1.0615519 5.8220208 -11.7639027 1.4320168 -3.8106166 3.9392676 -4.1191839 11 O -2.4588830 1.0563046 -1.0615519 -5.8220208 -11.7639027 -1.4320168 -3.8106166 -3.9392676 -4.1191839 12 O -2.4588830 -1.0563046 -1.0615519 5.8220208 -11.7639027 1.4320168 -3.8106166 3.9392676 -4.1191839 13 O -3.6911561 0.0976218 1.3532787 -0.1969662 4.9433258 -1.1814613 -7.8347757 5.9916464 -5.4292210 14 O -3.6911561 -0.0976218 1.3532787 0.1969662 4.9433258 1.1814613 -7.8347757 -5.9916464 -5.4292210 15 O -3.6911561 0.0976218 1.3532787 -0.1969662 4.9433258 -1.1814613 -7.8347757 5.9916464 -5.4292210 16 O -3.6911561 -0.0976218 1.3532787 0.1969662 4.9433258 1.1814613 -7.8347757 -5.9916464 -5.4292210 17 O -2.3164971 -0.6993522 -0.7132711 -3.2060485 -3.2934485 0.6212812 0.0923929 -4.1709932 -0.7940837 18 O -2.3164971 0.6993522 -0.7132711 3.2060485 -3.2934485 -0.6212812 0.0923929 4.1709932 -0.7940837 19 O -2.3164971 -0.6993522 -0.7132711 -3.2060485 -3.2934485 0.6212812 0.0923929 -4.1709932 -0.7940837 20 O -2.3164971 0.6993522 -0.7132711 3.2060485 -3.2934485 -0.6212812 0.0923929 4.1709932 -0.7940837 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (zzz) -0.00000005 (zzz) -0.00000005 (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 ... [ 11 8 6 ] 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: 0.65, Number of G-points: 299, Lambda: 2.82 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 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 2.260 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.592 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.540 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.955 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 11.885 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.590 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.568 ( 0.000 0.000 0.000) 0.000 13.752 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 15.822 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.380 ( 0.000 0.000 0.000) 0.000 16.703 ( 0.000 0.000 0.000) 0.000 16.913 ( 0.000 0.000 0.000) 0.000 16.934 ( 0.000 0.000 0.000) 0.000 17.184 ( 0.000 0.000 0.000) 0.000 18.113 ( 0.000 0.000 0.000) 0.000 19.780 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 20.814 0.000 15.248) 25.802 0.543 ( 29.710 0.000 3.267) 29.889 1.031 ( 37.138 0.000 32.261) 49.194 2.392 ( 9.020 0.000 7.186) 11.532 2.690 ( -10.271 0.000 0.859) 10.307 2.850 ( -1.367 0.000 -0.772) 1.570 2.895 ( -0.361 0.000 -7.822) 7.830 3.166 ( -4.068 0.000 -2.753) 4.912 3.381 ( -1.718 0.000 -0.945) 1.961 3.510 ( -10.002 0.000 -1.276) 10.083 3.729 ( -2.746 0.000 -1.228) 3.008 4.401 ( 2.146 0.000 1.946) 2.897 4.438 ( -3.122 0.000 -7.737) 8.344 4.577 ( 3.048 0.000 6.975) 7.612 4.768 ( 1.922 0.000 4.976) 5.335 4.784 ( -0.466 0.000 -2.020) 2.073 4.862 ( 1.378 0.000 3.890) 4.127 5.640 ( 1.216 0.000 -0.787) 1.448 6.093 ( -12.210 0.000 -0.540) 12.222 6.621 ( -8.957 0.000 -2.085) 9.196 7.001 ( 0.745 0.000 -1.982) 2.118 7.218 ( -8.880 0.000 -0.992) 8.935 7.235 ( -3.570 0.000 -8.407) 9.133 7.545 ( -2.979 0.000 0.239) 2.988 7.669 ( 5.824 0.000 0.338) 5.833 7.860 ( -4.202 0.000 -0.156) 4.205 8.131 ( -3.975 0.000 -1.126) 4.132 8.274 ( 11.513 0.000 -11.902) 16.559 8.447 ( 8.661 0.000 1.459) 8.784 8.664 ( 4.316 0.000 -2.182) 4.836 8.879 ( 4.097 0.000 23.443) 23.798 9.017 ( 4.047 0.000 9.368) 10.204 9.480 ( 3.485 0.000 1.801) 3.923 9.861 ( 0.658 0.000 2.379) 2.468 9.938 ( -9.670 0.000 -5.561) 11.155 10.482 ( -1.694 0.000 -10.362) 10.500 10.550 ( -4.384 0.000 -0.074) 4.385 10.637 ( 4.931 0.000 5.503) 7.389 10.788 ( 9.884 0.000 -3.402) 10.453 10.932 ( -0.195 0.000 -2.781) 2.788 11.785 ( -3.944 0.000 0.922) 4.050 12.058 ( 4.287 0.000 7.891) 8.980 12.465 ( -1.852 0.000 3.454) 3.919 12.471 ( -7.336 0.000 -8.665) 11.353 12.748 ( -4.240 0.000 2.393) 4.868 13.056 ( -1.440 0.000 -1.999) 2.464 13.562 ( 1.019 0.000 -2.661) 2.849 13.763 ( -3.219 0.000 6.300) 7.074 14.182 ( 8.713 0.000 -8.101) 11.898 15.030 ( 5.885 0.000 6.279) 8.606 15.471 ( -4.734 0.000 -1.437) 4.947 15.874 ( 2.320 0.000 3.207) 3.958 16.151 ( 1.418 0.000 -2.759) 3.102 16.377 ( -2.412 0.000 2.825) 3.715 16.676 ( -7.894 0.000 -9.777) 12.566 16.698 ( -0.402 0.000 -1.205) 1.271 17.168 ( 19.845 0.000 -8.710) 21.672 17.186 ( 0.296 0.000 -0.273) 0.402 18.184 ( -2.173 0.000 15.504) 15.656 19.730 ( -3.718 0.000 -3.230) 4.925 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 20.333 0.000 15.204) 25.388 1.046 ( 26.559 0.000 1.689) 26.613 1.892 ( 26.773 0.000 20.800) 33.904 2.416 ( -14.086 0.000 -2.129) 14.246 2.695 ( 4.877 0.000 6.875) 8.429 2.743 ( -4.266 0.000 -11.860) 12.604 2.825 ( -1.435 0.000 6.166) 6.331 3.038 ( -5.539 0.000 -4.773) 7.312 3.210 ( -11.651 0.000 -6.975) 13.580 3.379 ( -4.864 0.000 1.308) 5.036 3.681 ( -2.807 0.000 1.134) 3.028 4.260 ( -6.388 0.000 -9.756) 11.661 4.472 ( 3.980 0.000 0.845) 4.069 4.707 ( -5.561 0.000 2.589) 6.134 4.736 ( 7.339 0.000 4.168) 8.440 4.876 ( 0.918 0.000 10.383) 10.424 5.004 ( 6.605 0.000 6.986) 9.614 5.654 ( 1.187 0.000 -1.012) 1.560 5.871 ( -12.483 0.000 1.170) 12.538 6.396 ( -14.274 0.000 -1.687) 14.374 6.983 ( 2.285 0.000 -6.272) 6.675 7.044 ( -6.035 0.000 -9.287) 11.076 7.047 ( -6.243 0.000 -4.587) 7.747 7.546 ( -4.139 0.000 9.372) 10.245 7.764 ( -4.797 0.000 -2.884) 5.597 7.777 ( 3.612 0.000 1.057) 3.763 8.057 ( -1.597 0.000 -1.273) 2.043 8.349 ( 8.739 0.000 -5.794) 10.485 8.588 ( 5.428 0.000 1.235) 5.567 8.733 ( 8.046 0.000 -4.541) 9.240 9.187 ( 2.561 0.000 17.920) 18.102 9.223 ( 4.691 0.000 9.555) 10.644 9.568 ( 1.816 0.000 3.406) 3.860 9.743 ( -3.489 0.000 -3.433) 4.894 9.867 ( -5.403 0.000 1.155) 5.525 10.317 ( -0.720 0.000 -11.304) 11.327 10.513 ( 0.262 0.000 0.615) 0.668 10.748 ( 2.165 0.000 1.732) 2.772 10.893 ( 10.172 0.000 -8.062) 12.980 10.943 ( 4.689 0.000 1.059) 4.807 11.802 ( 0.319 0.000 6.797) 6.804 12.188 ( -11.311 0.000 -12.539) 16.886 12.215 ( 2.855 0.000 9.619) 10.034 12.478 ( -1.091 0.000 3.923) 4.072 12.672 ( -8.852 0.000 3.254) 9.431 12.984 ( -1.490 0.000 -5.728) 5.919 13.540 ( 0.773 0.000 -3.990) 4.064 13.780 ( -4.553 0.000 8.029) 9.230 14.296 ( 15.623 0.000 -7.220) 17.210 15.199 ( 5.589 0.000 4.348) 7.081 15.356 ( -5.539 0.000 -2.834) 6.222 15.975 ( 2.533 0.000 5.538) 6.090 16.134 ( 2.041 0.000 -5.653) 6.010 16.340 ( -8.067 0.000 3.107) 8.645 16.467 ( -0.244 0.000 -11.785) 11.788 16.684 ( -0.157 0.000 0.376) 0.408 17.207 ( 3.019 0.000 0.318) 3.036 17.371 ( 18.551 0.000 -12.755) 22.513 18.372 ( -1.374 0.000 21.850) 21.893 19.591 ( -6.458 0.000 -5.819) 8.693 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 15.750 0.000 -3.074) 16.047 1.528 ( 17.562 0.000 14.634) 22.860 2.151 ( -14.002 0.000 1.277) 14.060 2.155 ( -1.831 0.000 -12.778) 12.909 2.648 ( 3.608 0.000 0.993) 3.742 2.675 ( -3.025 0.000 -3.450) 4.588 2.857 ( -8.638 0.000 -0.533) 8.654 2.984 ( -8.710 0.000 -2.662) 9.108 3.026 ( 3.827 0.000 8.343) 9.178 3.289 ( -6.052 0.000 -1.939) 6.355 3.665 ( -1.829 0.000 3.033) 3.542 4.002 ( -9.968 0.000 -11.769) 15.423 4.572 ( 9.958 0.000 0.259) 9.961 4.751 ( -0.208 0.000 14.168) 14.170 4.899 ( 8.766 0.000 0.992) 8.822 5.025 ( 0.686 0.000 12.703) 12.722 5.212 ( 7.577 0.000 7.976) 11.002 5.609 ( -5.494 0.000 -0.735) 5.543 5.791 ( 0.101 0.000 3.099) 3.101 6.137 ( -14.668 0.000 -0.846) 14.692 6.832 ( -3.127 0.000 -12.112) 12.510 6.919 ( -3.859 0.000 -3.890) 5.479 6.961 ( 0.368 0.000 -2.688) 2.713 7.536 ( -9.969 0.000 4.885) 11.101 7.707 ( 1.667 0.000 1.908) 2.534 7.716 ( -9.446 0.000 -1.322) 9.538 8.130 ( 9.117 0.000 1.208) 9.196 8.427 ( 5.307 0.000 -0.766) 5.362 8.648 ( 0.058 0.000 1.547) 1.548 8.804 ( 7.128 0.000 -6.330) 9.533 9.254 ( -6.598 0.000 0.446) 6.613 9.339 ( -1.876 0.000 7.734) 7.958 9.654 ( 3.995 0.000 3.996) 5.650 9.658 ( -12.226 0.000 -8.299) 14.777 9.801 ( 8.152 0.000 2.735) 8.599 10.249 ( 2.211 0.000 -4.614) 5.117 10.579 ( 3.347 0.000 4.495) 5.604 10.792 ( 3.345 0.000 0.606) 3.399 10.948 ( 8.940 0.000 -10.060) 13.459 11.098 ( 8.349 0.000 5.356) 9.919 11.840 ( -11.910 0.000 -13.680) 18.138 11.905 ( 0.429 0.000 8.111) 8.123 12.340 ( -2.547 0.000 9.233) 9.578 12.533 ( -11.744 0.000 3.211) 12.175 12.575 ( 8.353 0.000 6.318) 10.473 12.894 ( -0.552 0.000 -6.789) 6.812 13.490 ( -0.538 0.000 -5.381) 5.408 13.791 ( -4.003 0.000 6.472) 7.610 14.528 ( 18.218 0.000 -2.554) 18.396 15.239 ( -4.644 0.000 -2.194) 5.137 15.297 ( 2.876 0.000 1.063) 3.066 16.019 ( -3.547 0.000 1.769) 3.963 16.077 ( 1.372 0.000 -10.528) 10.617 16.188 ( -5.079 0.000 -5.573) 7.540 16.416 ( -0.931 0.000 0.786) 1.219 16.706 ( 0.621 0.000 1.827) 1.930 17.326 ( 8.701 0.000 4.290) 9.701 17.493 ( 12.323 0.000 -10.880) 16.439 18.604 ( 0.844 0.000 18.917) 18.936 19.398 ( -7.435 0.000 -7.127) 10.299 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -4.860 0.000 -12.025) 12.970 1.794 ( -5.433 0.000 8.608) 10.179 1.987 ( 2.299 0.000 -14.686) 14.865 2.166 ( 13.596 0.000 7.802) 15.675 2.586 ( -3.221 0.000 -2.373) 4.001 2.665 ( -2.295 0.000 0.973) 2.493 2.714 ( -5.944 0.000 -0.832) 6.002 2.832 ( -6.310 0.000 -1.389) 6.461 3.112 ( -2.670 0.000 5.127) 5.781 3.157 ( -5.369 0.000 -3.528) 6.424 3.669 ( -12.668 0.000 -13.230) 18.317 3.686 ( -0.189 0.000 3.149) 3.155 4.808 ( 12.940 0.000 3.116) 13.310 5.003 ( 8.329 0.000 16.888) 18.830 5.037 ( 3.187 0.000 5.157) 6.062 5.184 ( 5.590 0.000 6.102) 8.276 5.418 ( 5.490 0.000 8.313) 9.962 5.506 ( -4.842 0.000 -1.827) 5.175 5.867 ( 3.610 0.000 2.842) 4.595 5.897 ( -12.659 0.000 -0.935) 12.693 6.671 ( -2.531 0.000 -7.845) 8.243 6.811 ( -3.975 0.000 -4.121) 5.726 6.951 ( 1.164 0.000 -1.431) 1.845 7.384 ( -8.494 0.000 -1.322) 8.596 7.521 ( -10.000 0.000 -1.835) 10.167 7.802 ( 2.959 0.000 5.199) 5.982 8.308 ( 9.010 0.000 1.699) 9.169 8.516 ( 3.609 0.000 3.391) 4.952 8.634 ( -3.210 0.000 1.313) 3.468 8.818 ( 4.135 0.000 -7.595) 8.647 9.132 ( -6.444 0.000 -0.530) 6.466 9.254 ( -12.913 0.000 -2.158) 13.092 9.426 ( -2.489 0.000 -5.742) 6.258 9.725 ( 3.449 0.000 -1.275) 3.677 10.001 ( 8.305 0.000 4.591) 9.490 10.254 ( 1.927 0.000 -1.510) 2.448 10.688 ( 2.620 0.000 4.990) 5.636 10.884 ( 3.482 0.000 5.109) 6.183 10.967 ( 6.045 0.000 -8.494) 10.425 11.312 ( 9.948 0.000 2.628) 10.289 11.512 ( -9.429 0.000 -10.392) 14.032 11.975 ( -0.828 0.000 5.098) 5.165 12.354 ( -3.464 0.000 4.186) 5.433 12.374 ( -10.557 0.000 2.441) 10.836 12.814 ( -0.820 0.000 -5.250) 5.314 12.862 ( 11.744 0.000 10.267) 15.599 13.407 ( -1.452 0.000 -5.721) 5.903 13.788 ( -3.337 0.000 3.557) 4.878 14.813 ( 16.487 0.000 -0.120) 16.488 15.162 ( -3.039 0.000 -0.006) 3.039 15.345 ( 2.372 0.000 1.446) 2.778 15.901 ( -9.115 0.000 -2.660) 9.495 15.960 ( 0.544 0.000 -10.401) 10.415 16.072 ( -2.136 0.000 -5.748) 6.132 16.423 ( -1.399 0.000 3.448) 3.721 16.722 ( -0.432 0.000 0.723) 0.842 17.545 ( 6.186 0.000 -6.699) 9.118 17.563 ( 10.270 0.000 6.734) 12.281 18.803 ( 1.622 0.000 11.961) 12.070 19.203 ( -6.188 0.000 -6.411) 8.911 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 1.543 0.000 -4.372) 4.636 1.765 ( -3.467 0.000 3.413) 4.865 1.783 ( -7.086 0.000 -8.873) 11.355 2.456 ( 5.654 0.000 0.692) 5.697 2.541 ( 0.796 0.000 0.585) 0.988 2.690 ( 4.358 0.000 -0.541) 4.392 2.703 ( 3.692 0.000 5.070) 6.272 2.754 ( -4.278 0.000 2.170) 4.796 3.045 ( -2.974 0.000 -2.582) 3.939 3.092 ( -3.631 0.000 3.227) 4.858 3.319 ( -9.955 0.000 -11.145) 14.944 3.714 ( 0.148 0.000 1.298) 1.307 5.015 ( 6.621 0.000 2.479) 7.070 5.122 ( 0.576 0.000 3.991) 4.032 5.286 ( 6.483 0.000 5.645) 8.597 5.319 ( 4.925 0.000 0.795) 4.989 5.412 ( -3.684 0.000 -1.343) 3.922 5.540 ( -1.359 0.000 4.314) 4.523 5.741 ( -3.633 0.000 0.808) 3.722 5.943 ( 2.097 0.000 1.048) 2.344 6.578 ( -1.119 0.000 -2.874) 3.085 6.704 ( -2.628 0.000 -3.191) 4.134 6.958 ( 0.359 0.000 -0.078) 0.367 7.265 ( -3.406 0.000 -0.925) 3.530 7.385 ( -3.832 0.000 -0.764) 3.907 7.888 ( 1.685 0.000 2.103) 2.695 8.441 ( 4.404 0.000 0.856) 4.487 8.589 ( -2.671 0.000 0.474) 2.713 8.613 ( 1.408 0.000 4.756) 4.960 8.788 ( 2.536 0.000 -6.339) 6.828 9.031 ( -7.559 0.000 -1.908) 7.796 9.049 ( -2.521 0.000 -0.434) 2.558 9.364 ( -0.647 0.000 -1.966) 2.069 9.758 ( 1.831 0.000 -0.777) 1.989 10.132 ( 2.931 0.000 1.441) 3.266 10.267 ( 0.729 0.000 -0.340) 0.805 10.764 ( 0.941 0.000 2.578) 2.744 10.963 ( 2.112 0.000 -3.792) 4.340 11.020 ( 3.073 0.000 9.435) 9.923 11.217 ( -4.618 0.000 -12.650) 13.466 11.532 ( 4.870 0.000 3.460) 5.974 12.001 ( -0.472 0.000 1.671) 1.736 12.254 ( -5.152 0.000 0.716) 5.202 12.342 ( -1.299 0.000 1.195) 1.765 12.758 ( -0.611 0.000 -2.046) 2.135 13.112 ( 5.574 0.000 5.169) 7.602 13.336 ( -0.756 0.000 -2.618) 2.725 13.763 ( -1.871 0.000 0.624) 1.972 15.016 ( 6.747 0.000 -0.492) 6.765 15.133 ( -1.057 0.000 0.586) 1.209 15.456 ( 7.547 0.000 4.911) 9.004 15.682 ( -11.114 0.000 -5.108) 12.232 15.891 ( 1.230 0.000 -4.361) 4.531 15.986 ( -1.781 0.000 -2.432) 3.014 16.437 ( -0.500 0.000 1.607) 1.683 16.718 ( -0.350 0.000 0.082) 0.359 17.559 ( 1.790 0.000 -2.231) 2.861 17.754 ( 4.413 0.000 3.238) 5.474 18.915 ( 0.743 0.000 4.038) 4.106 19.072 ( -2.533 0.000 -2.785) 3.765 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.000 27.201 0.000) 27.201 0.699 ( 0.000 32.345 0.000) 32.345 1.084 ( 0.000 49.572 0.000) 49.572 2.261 ( 0.000 -0.019 0.000) 0.019 2.774 ( 0.000 -0.726 0.000) 0.726 2.802 ( 0.000 -4.439 0.000) 4.439 2.961 ( 0.000 0.648 0.000) 0.648 3.097 ( 0.000 -6.484 0.000) 6.484 3.452 ( 0.000 2.130 0.000) 2.130 3.588 ( 0.000 -1.637 0.000) 1.637 3.704 ( 0.000 -5.715 0.000) 5.715 4.318 ( 0.000 -6.360 0.000) 6.360 4.504 ( 0.000 -1.336 0.000) 1.336 4.515 ( 0.000 -0.124 0.000) 0.124 4.784 ( 0.000 5.162 0.000) 5.162 4.834 ( 0.000 2.323 0.000) 2.323 4.887 ( 0.000 7.922 0.000) 7.922 5.569 ( 0.000 -6.193 0.000) 6.193 6.201 ( 0.000 -1.161 0.000) 1.161 6.623 ( 0.000 -8.042 0.000) 8.042 6.848 ( 0.000 -10.522 0.000) 10.522 7.208 ( 0.000 -8.375 0.000) 8.375 7.398 ( 0.000 5.739 0.000) 5.739 7.630 ( 0.000 0.041 0.000) 0.041 7.680 ( 0.000 3.086 0.000) 3.086 7.796 ( 0.000 -5.420 0.000) 5.420 8.142 ( 0.000 -3.962 0.000) 3.962 8.246 ( 0.000 -1.475 0.000) 1.475 8.308 ( 0.000 -3.573 0.000) 3.573 8.590 ( 0.000 -4.744 0.000) 4.744 8.673 ( 0.000 1.036 0.000) 1.036 8.987 ( 0.000 3.437 0.000) 3.437 9.506 ( 0.000 2.253 0.000) 2.253 9.919 ( 0.000 6.760 0.000) 6.760 10.096 ( 0.000 1.565 0.000) 1.565 10.346 ( 0.000 -7.777 0.000) 7.777 10.663 ( 0.000 0.691 0.000) 0.691 10.670 ( 0.000 3.226 0.000) 3.226 10.779 ( 0.000 9.362 0.000) 9.362 11.079 ( 0.000 6.533 0.000) 6.533 11.750 ( 0.000 -0.161 0.000) 0.161 11.893 ( 0.000 0.806 0.000) 0.806 12.371 ( 0.000 -7.368 0.000) 7.368 12.554 ( 0.000 -3.430 0.000) 3.430 12.845 ( 0.000 5.924 0.000) 5.924 13.158 ( 0.000 6.406 0.000) 6.406 13.571 ( 0.000 0.265 0.000) 0.265 13.831 ( 0.000 7.420 0.000) 7.420 14.025 ( 0.000 -10.036 0.000) 10.036 14.942 ( 0.000 1.037 0.000) 1.037 15.442 ( 0.000 -4.105 0.000) 4.105 15.861 ( 0.000 -1.270 0.000) 1.270 16.169 ( 0.000 0.400 0.000) 0.400 16.255 ( 0.000 -7.686 0.000) 7.686 16.675 ( 0.000 -1.263 0.000) 1.263 16.895 ( 0.000 -1.786 0.000) 1.786 17.109 ( 0.000 8.180 0.000) 8.180 17.369 ( 0.000 20.318 0.000) 20.318 18.069 ( 0.000 -4.605 0.000) 4.605 19.724 ( 0.000 -5.260 0.000) 5.260 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 17.157 22.648 4.034) 28.698 0.944 ( 15.411 24.796 10.656) 31.079 1.381 ( 22.699 31.904 18.917) 43.485 2.388 ( 8.937 -0.396 6.708) 11.181 2.686 ( -4.846 -1.656 -6.490) 8.267 2.764 ( -6.322 -3.206 1.834) 7.322 2.935 ( 0.050 0.583 -4.587) 4.625 3.097 ( -2.493 -4.493 2.607) 5.762 3.409 ( -2.962 1.415 -3.194) 4.580 3.501 ( -9.882 -0.990 -1.966) 10.124 3.657 ( -2.552 -6.477 -1.229) 7.069 4.287 ( -1.801 -8.491 -3.670) 9.425 4.488 ( -0.881 2.373 -0.696) 2.625 4.580 ( 2.101 -0.497 8.912) 9.170 4.764 ( -1.606 1.589 2.373) 3.277 4.804 ( -2.627 1.132 -1.869) 3.416 4.994 ( 7.308 10.750 3.654) 13.502 5.575 ( 1.420 -5.957 -0.937) 6.195 6.093 ( -11.230 -0.542 -0.734) 11.267 6.542 ( -7.964 -7.214 -1.873) 10.907 6.839 ( -1.285 -10.479 0.087) 10.558 7.130 ( -2.345 -4.701 -7.876) 9.467 7.383 ( -5.696 5.442 0.339) 7.885 7.515 ( -3.264 -2.969 -2.580) 5.111 7.670 ( -3.097 -0.780 -1.840) 3.685 7.829 ( 2.792 -1.364 1.911) 3.648 8.121 ( -2.888 -1.526 -0.858) 3.378 8.223 ( 8.101 -3.168 -8.349) 12.057 8.404 ( 5.670 -4.684 -0.946) 7.415 8.623 ( 5.493 -4.139 0.028) 6.878 8.828 ( 2.916 -2.514 17.951) 18.359 9.079 ( 4.287 2.572 8.011) 9.443 9.538 ( 3.064 3.720 1.466) 5.037 9.915 ( -4.542 2.854 -0.858) 5.432 10.012 ( -1.803 7.761 -0.979) 8.028 10.362 ( 2.174 -6.205 -4.986) 8.252 10.563 ( -4.259 1.410 -0.840) 4.564 10.768 ( 5.055 6.941 -1.809) 8.775 10.815 ( 5.549 3.476 -0.266) 6.553 11.046 ( -0.423 7.439 -4.053) 8.482 11.714 ( -2.545 -2.116 1.945) 3.839 12.016 ( 4.646 -0.853 8.648) 9.854 12.359 ( -3.139 -7.662 1.052) 8.346 12.466 ( -5.808 -1.932 -4.997) 7.901 12.838 ( -2.114 7.208 1.741) 7.710 13.121 ( -1.997 5.690 -2.837) 6.664 13.571 ( 0.611 0.716 -1.471) 1.746 13.780 ( -8.484 -0.255 6.422) 10.644 14.111 ( 13.908 -2.428 -7.224) 15.860 15.031 ( 5.872 0.213 5.012) 7.723 15.446 ( 0.688 -1.463 -1.454) 2.175 15.826 ( -4.355 -4.422 2.025) 6.528 16.181 ( 1.340 -0.716 -0.869) 1.750 16.267 ( 1.290 -5.008 1.139) 5.296 16.573 ( -3.819 -2.096 -6.850) 8.118 16.959 ( 1.683 8.511 0.899) 8.723 17.167 ( 12.903 1.699 -7.353) 14.948 17.315 ( -1.338 14.993 -5.777) 16.124 18.150 ( -2.141 -3.258 16.450) 16.905 19.671 ( -4.029 -5.451 -3.184) 7.488 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 17.374 14.834 6.030) 23.628 1.312 ( 17.743 20.304 7.006) 27.859 2.024 ( 22.416 12.105 16.102) 30.138 2.439 ( -11.687 1.953 -4.160) 12.558 2.587 ( -0.684 -5.617 -6.372) 8.522 2.740 ( 2.497 -1.156 10.258) 10.621 2.870 ( -2.064 0.569 -1.836) 2.820 3.028 ( -6.539 -0.035 -2.870) 7.141 3.222 ( -10.599 0.872 -5.852) 12.139 3.352 ( -5.014 -2.437 -0.250) 5.580 3.620 ( -2.586 -5.522 2.124) 6.457 4.160 ( -5.403 -8.255 -8.004) 12.704 4.506 ( 2.488 2.606 0.660) 3.662 4.693 ( -2.810 -2.057 5.463) 6.479 4.753 ( 3.278 2.684 -1.147) 4.389 4.822 ( -1.272 -1.627 13.894) 14.047 5.164 ( 7.347 10.295 3.732) 13.187 5.593 ( 1.648 -5.380 -0.868) 5.693 5.881 ( -12.009 0.420 0.889) 12.050 6.348 ( -11.922 -4.330 -1.540) 12.777 6.798 ( -3.247 -10.189 -0.756) 10.721 6.998 ( 0.553 -1.011 -12.180) 12.235 7.221 ( -7.278 4.750 -4.486) 9.781 7.502 ( -4.782 -3.714 7.784) 9.862 7.592 ( -2.602 -6.682 -2.659) 7.648 7.903 ( 3.750 1.626 0.867) 4.178 8.036 ( -5.416 -0.652 -0.966) 5.540 8.305 ( 9.967 -3.876 -6.015) 12.270 8.443 ( 1.370 -8.782 0.268) 8.892 8.765 ( 10.419 -0.844 -1.998) 10.643 9.078 ( 1.849 -6.280 16.882) 18.107 9.225 ( 0.863 -1.620 6.279) 6.542 9.637 ( 4.561 5.597 4.019) 8.263 9.784 ( -4.431 4.583 -2.069) 6.702 10.013 ( -1.663 9.868 -1.798) 10.167 10.301 ( 1.606 -0.766 -8.187) 8.378 10.527 ( 0.901 2.209 1.068) 2.614 10.821 ( 1.027 6.071 1.526) 6.344 10.905 ( 9.337 1.119 -7.140) 11.807 11.020 ( 2.908 5.747 -1.551) 6.625 11.736 ( -0.400 -4.460 5.558) 7.137 12.152 ( -3.840 -2.935 -2.465) 5.426 12.234 ( -2.000 0.869 2.685) 3.460 12.364 ( -5.272 -6.798 2.486) 8.955 12.817 ( -3.008 10.451 2.847) 11.242 13.045 ( -1.466 5.392 -4.964) 7.475 13.549 ( -0.638 0.557 -2.443) 2.585 13.729 ( -5.907 -5.055 6.119) 9.894 14.307 ( 17.409 3.246 -4.446) 18.258 15.186 ( 5.711 -1.180 3.107) 6.608 15.402 ( -2.145 3.803 -4.576) 6.325 15.800 ( -1.443 -9.877 1.816) 10.146 16.169 ( -2.298 -4.997 0.379) 5.513 16.345 ( 5.588 4.097 0.410) 6.941 16.448 ( -0.251 -0.549 -7.499) 7.523 16.936 ( -4.045 17.457 0.694) 17.933 17.241 ( 0.766 3.896 -4.324) 5.870 17.332 ( 16.762 -2.087 -10.219) 19.743 18.340 ( -1.784 -2.868 21.833) 22.092 19.526 ( -7.091 -6.096 -5.780) 10.993 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 10.147 8.079 1.870) 13.105 1.677 ( 14.610 12.367 7.404) 20.524 2.161 ( -8.413 1.692 -6.892) 11.006 2.217 ( -7.588 4.620 -7.040) 11.335 2.532 ( 4.015 -4.385 -3.122) 6.715 2.773 ( -1.656 -1.370 -0.856) 2.313 2.857 ( -8.683 4.950 1.240) 10.072 2.951 ( -2.677 -2.695 3.976) 5.499 3.079 ( -0.741 4.228 1.666) 4.604 3.254 ( -5.696 -3.376 -2.460) 7.063 3.618 ( -2.174 -4.113 4.350) 6.369 3.934 ( -9.233 -6.049 -10.268) 15.075 4.581 ( 8.422 0.832 -0.169) 8.465 4.764 ( -0.063 0.109 14.869) 14.869 4.854 ( 9.409 -3.555 -0.548) 10.073 4.975 ( -1.945 -0.310 14.625) 14.757 5.307 ( 4.543 4.507 3.764) 7.424 5.581 ( -3.079 -2.330 -0.277) 3.871 5.783 ( -2.166 -0.879 3.559) 4.258 6.137 ( -11.446 -0.074 -0.581) 11.461 6.722 ( -3.228 -7.602 -2.596) 8.657 6.874 ( 0.253 -0.847 -10.669) 10.705 7.091 ( -3.284 5.520 -2.718) 6.974 7.433 ( -8.470 -5.195 0.839) 9.972 7.598 ( 0.592 -7.469 5.733) 9.434 7.850 ( -8.571 6.343 -2.716) 11.003 8.036 ( 5.000 -8.710 0.763) 10.072 8.396 ( 6.027 -2.438 -1.130) 6.599 8.487 ( 2.800 -10.319 0.849) 10.726 8.865 ( 5.648 1.460 -5.252) 7.850 9.177 ( -7.648 -4.904 7.037) 11.492 9.292 ( 1.466 -3.983 6.589) 7.838 9.677 ( -5.670 5.054 -5.849) 9.586 9.751 ( 2.597 7.187 0.044) 7.642 9.964 ( 4.227 10.009 -1.364) 10.951 10.257 ( 1.815 0.395 -5.087) 5.416 10.623 ( 4.415 4.595 5.559) 8.456 10.841 ( 1.997 4.270 -0.362) 4.728 10.966 ( 8.537 1.613 -8.170) 11.926 11.124 ( 6.775 1.926 4.155) 8.178 11.768 ( -4.786 -5.261 0.186) 7.114 11.916 ( -6.226 -0.093 -5.534) 8.330 12.278 ( -6.659 -8.071 2.685) 10.802 12.374 ( 0.450 -1.223 8.249) 8.351 12.842 ( 2.126 13.892 5.327) 15.029 12.972 ( -0.306 6.909 -4.980) 8.523 13.495 ( -1.339 0.307 -4.108) 4.332 13.717 ( -3.958 -6.415 5.968) 9.614 14.582 ( 18.884 5.733 -1.072) 19.764 15.258 ( -1.659 -0.811 -0.214) 1.859 15.306 ( 0.678 2.945 -4.682) 5.573 15.786 ( -1.535 -9.832 -0.872) 9.989 16.120 ( -1.558 -4.051 -3.684) 5.693 16.322 ( 2.558 3.592 -10.728) 11.599 16.469 ( -1.086 11.243 4.213) 12.056 16.894 ( -3.343 14.952 3.755) 15.775 17.279 ( 6.629 -4.136 1.439) 7.945 17.466 ( 12.466 -1.892 -9.258) 15.642 18.560 ( 0.031 -4.037 18.843) 19.271 19.319 ( -8.432 -7.340 -7.226) 13.311 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -6.677 6.532 -8.879) 12.887 1.824 ( -6.084 2.708 5.114) 8.396 2.011 ( 1.844 2.078 -11.822) 12.144 2.213 ( 12.267 4.176 3.032) 13.308 2.537 ( 1.243 -2.398 -0.880) 2.841 2.666 ( -6.534 -2.979 -2.249) 7.525 2.761 ( -4.534 5.585 -0.959) 7.258 2.863 ( -7.854 2.321 3.208) 8.796 3.114 ( -5.194 -2.586 -1.039) 5.895 3.136 ( 0.082 1.119 -0.663) 1.303 3.603 ( -8.329 -4.902 -6.299) 11.536 3.668 ( -4.624 -2.402 -1.215) 5.350 4.788 ( 12.220 -1.712 2.392) 12.569 4.995 ( 7.947 -3.675 10.151) 13.405 5.051 ( 7.344 1.255 9.621) 12.168 5.076 ( 0.174 -4.650 8.625) 9.800 5.392 ( 0.329 -3.839 3.352) 5.107 5.522 ( -2.528 1.538 0.202) 2.966 5.799 ( -3.515 -4.089 1.646) 5.638 5.973 ( -6.579 3.051 0.373) 7.262 6.644 ( -1.144 -2.464 -4.123) 4.938 6.782 ( -0.952 -0.538 -4.280) 4.418 7.038 ( -1.091 6.017 -1.090) 6.211 7.315 ( -3.770 -2.235 -1.475) 4.624 7.646 ( -10.504 7.315 -1.287) 12.864 7.692 ( 1.866 -9.418 3.538) 10.233 8.123 ( 3.866 -14.177 0.809) 14.717 8.485 ( 3.132 -5.791 1.953) 6.867 8.535 ( 1.181 -7.087 2.122) 7.492 8.835 ( 0.740 2.607 -8.361) 8.789 9.113 ( -6.145 1.288 4.863) 7.942 9.352 ( -0.966 -4.216 1.740) 4.662 9.460 ( -7.392 12.262 -7.615) 16.217 9.763 ( 2.330 3.055 -4.133) 5.643 10.093 ( 7.124 6.173 2.371) 9.720 10.249 ( 1.970 0.251 -2.274) 3.019 10.746 ( 3.281 5.050 3.906) 7.178 10.907 ( 3.523 2.208 3.895) 5.697 11.006 ( 5.649 3.449 -5.638) 8.695 11.302 ( 8.045 -0.774 2.915) 8.592 11.540 ( -9.062 2.247 -8.863) 12.874 11.901 ( -1.118 -6.854 4.456) 8.252 12.191 ( -5.206 -8.813 0.506) 10.248 12.410 ( -4.112 1.328 4.329) 6.117 12.897 ( -0.514 7.132 -3.802) 8.099 13.040 ( 7.923 12.699 8.563) 17.244 13.416 ( -1.506 0.705 -5.070) 5.335 13.723 ( -2.768 -5.626 4.489) 7.711 14.883 ( 17.057 6.417 -0.689) 18.237 15.170 ( -4.327 0.703 -0.966) 4.489 15.323 ( 2.897 -1.961 -0.814) 3.592 15.732 ( -3.105 -6.090 -1.497) 6.998 16.022 ( -2.235 -1.763 -7.636) 8.150 16.239 ( 0.193 11.444 -9.012) 14.567 16.471 ( -2.593 7.692 4.737) 9.398 16.877 ( -3.393 12.680 2.241) 13.316 17.456 ( 7.836 -6.798 1.823) 10.533 17.566 ( 9.296 -1.107 -1.511) 9.483 18.747 ( 0.941 -5.287 12.051) 13.194 19.102 ( -7.444 -9.328 -6.785) 13.728 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.796 7.339 -3.139) 8.022 1.754 ( -5.080 0.689 -0.443) 5.146 1.850 ( -4.794 4.048 -5.331) 8.233 2.436 ( 7.827 -1.434 0.438) 7.970 2.551 ( -1.743 0.035 -0.882) 1.954 2.645 ( 4.010 -2.075 3.325) 5.608 2.676 ( -1.627 -0.630 -0.354) 1.780 2.825 ( -3.773 2.458 2.844) 5.326 3.033 ( 0.463 -0.604 1.460) 1.647 3.125 ( -1.662 3.506 -1.384) 4.119 3.301 ( -9.828 -1.556 -8.997) 13.414 3.675 ( -0.188 -3.385 1.572) 3.737 4.979 ( 6.504 -3.374 1.774) 7.539 5.091 ( -1.003 -2.714 2.675) 3.941 5.229 ( 7.273 -7.261 1.765) 10.428 5.280 ( 3.452 -0.610 4.937) 6.055 5.409 ( -0.616 -1.157 4.012) 4.221 5.519 ( 0.290 -1.219 1.729) 2.136 5.675 ( -7.221 -5.458 -2.259) 9.329 5.929 ( -1.278 -2.286 0.325) 2.640 6.602 ( 0.115 1.622 -1.793) 2.421 6.743 ( -0.407 3.914 -0.844) 4.025 7.019 ( -0.563 5.304 0.064) 5.334 7.294 ( 2.016 3.369 -0.725) 3.992 7.460 ( -7.020 5.975 -1.929) 9.419 7.763 ( 1.194 -10.900 2.125) 11.169 8.178 ( 1.479 -17.033 0.651) 17.110 8.504 ( -0.039 -16.904 -0.926) 16.930 8.603 ( -0.504 2.537 7.069) 7.527 8.736 ( 0.072 1.875 -8.301) 8.511 9.118 ( -0.091 8.341 5.696) 10.101 9.242 ( -3.618 7.940 -8.019) 11.851 9.372 ( -1.776 3.225 1.115) 3.846 9.758 ( 1.433 -0.003 -2.082) 2.527 10.205 ( 2.721 0.645 2.241) 3.583 10.252 ( 0.844 3.776 -2.038) 4.373 10.816 ( 1.302 4.448 1.498) 4.870 11.011 ( 3.114 3.631 -1.428) 4.992 11.055 ( 2.596 3.607 8.349) 9.458 11.245 ( -4.654 2.484 -12.070) 13.173 11.502 ( 2.960 -2.525 3.294) 5.098 11.926 ( -0.485 -7.464 1.924) 7.723 12.131 ( -2.165 -7.172 0.184) 7.494 12.376 ( -2.288 2.221 0.832) 3.295 12.851 ( -0.586 7.745 -1.713) 7.954 13.240 ( 4.240 9.414 5.456) 11.678 13.349 ( -0.548 1.090 -3.284) 3.504 13.720 ( -1.449 -3.800 1.388) 4.297 15.065 ( 5.648 3.465 -1.967) 6.912 15.117 ( -1.454 -1.108 0.042) 1.829 15.428 ( 8.244 -1.653 3.562) 9.131 15.632 ( -7.488 -0.822 -1.826) 7.751 15.915 ( -1.157 -0.079 -4.038) 4.202 16.145 ( -1.042 13.184 -4.083) 13.841 16.498 ( 0.067 6.137 2.286) 6.549 16.843 ( -1.845 10.871 0.383) 11.033 17.519 ( 1.920 -3.587 -1.343) 4.285 17.727 ( 4.965 -2.631 2.740) 6.251 18.852 ( 0.450 -5.972 4.171) 7.298 18.948 ( -3.242 -11.511 -3.185) 12.375 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.000 24.885 0.000) 24.885 1.343 ( 0.000 28.400 0.000) 28.400 2.041 ( 0.000 39.847 0.000) 39.847 2.255 ( 0.000 -0.772 0.000) 0.772 2.708 ( 0.000 -4.411 0.000) 4.411 2.750 ( 0.000 -0.498 0.000) 0.498 2.959 ( 0.000 -0.364 0.000) 0.364 3.036 ( 0.000 0.521 0.000) 0.521 3.444 ( 0.000 -2.611 0.000) 2.611 3.480 ( 0.000 -8.985 0.000) 8.985 3.596 ( 0.000 -3.818 0.000) 3.818 4.093 ( 0.000 -14.122 0.000) 14.122 4.448 ( 0.000 -3.800 0.000) 3.800 4.481 ( 0.000 -3.757 0.000) 3.757 4.914 ( 0.000 6.856 0.000) 6.856 4.939 ( 0.000 9.140 0.000) 9.140 5.134 ( 0.000 12.770 0.000) 12.770 5.425 ( 0.000 -5.713 0.000) 5.713 6.159 ( 0.000 -2.777 0.000) 2.777 6.397 ( 0.000 -12.356 0.000) 12.356 6.656 ( 0.000 -7.355 0.000) 7.355 7.016 ( 0.000 -9.496 0.000) 9.496 7.486 ( 0.000 2.186 0.000) 2.186 7.499 ( 0.000 -8.627 0.000) 8.627 7.746 ( 0.000 2.855 0.000) 2.855 7.792 ( 0.000 2.492 0.000) 2.492 8.059 ( 0.000 -3.363 0.000) 3.363 8.166 ( 0.000 -9.605 0.000) 9.605 8.181 ( 0.000 -4.574 0.000) 4.574 8.454 ( 0.000 -7.710 0.000) 7.710 8.709 ( 0.000 2.399 0.000) 2.399 8.999 ( 0.000 -2.533 0.000) 2.533 9.625 ( 0.000 8.763 0.000) 8.763 10.017 ( 0.000 0.769 0.000) 0.769 10.155 ( 0.000 3.795 0.000) 3.795 10.285 ( 0.000 2.443 0.000) 2.443 10.674 ( 0.000 0.855 0.000) 0.855 10.748 ( 0.000 3.568 0.000) 3.568 10.967 ( 0.000 8.212 0.000) 8.212 11.222 ( 0.000 5.649 0.000) 5.649 11.753 ( 0.000 0.588 0.000) 0.588 11.922 ( 0.000 1.848 0.000) 1.848 12.196 ( 0.000 -8.180 0.000) 8.180 12.449 ( 0.000 -6.280 0.000) 6.280 13.004 ( 0.000 8.885 0.000) 8.885 13.322 ( 0.000 8.218 0.000) 8.218 13.578 ( 0.000 0.234 0.000) 0.234 13.798 ( 0.000 -10.074 0.000) 10.074 14.062 ( 0.000 14.345 0.000) 14.345 14.983 ( 0.000 3.166 0.000) 3.166 15.344 ( 0.000 -7.351 0.000) 7.351 15.758 ( 0.000 -6.245 0.000) 6.245 16.112 ( 0.000 -5.784 0.000) 5.784 16.179 ( 0.000 0.422 0.000) 0.422 16.661 ( 0.000 -0.192 0.000) 0.192 16.839 ( 0.000 -3.410 0.000) 3.410 17.256 ( 0.000 6.945 0.000) 6.945 17.916 ( 0.000 28.259 0.000) 28.259 17.936 ( 0.000 -7.642 0.000) 7.642 19.563 ( 0.000 -9.957 0.000) 9.957 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 12.595 21.588 5.504) 25.592 1.466 ( 10.554 24.598 6.574) 27.562 2.123 ( 6.525 33.226 4.924) 34.216 2.375 ( 8.884 -0.793 5.930) 10.710 2.618 ( -0.491 -3.152 -9.980) 10.478 2.751 ( -7.355 0.199 5.531) 9.205 2.917 ( -1.739 -1.194 -5.001) 5.428 3.045 ( -2.399 0.486 6.447) 6.896 3.394 ( -2.278 -3.839 -4.933) 6.653 3.455 ( -8.218 -4.023 -1.726) 9.311 3.484 ( -3.346 -8.115 -3.111) 9.312 4.058 ( -1.955 -12.829 -3.278) 13.384 4.497 ( -0.472 -2.217 4.127) 4.709 4.546 ( 1.049 -2.454 13.420) 13.682 4.832 ( -4.333 6.352 -3.905) 8.624 4.910 ( -2.718 7.960 -0.167) 8.413 5.240 ( 7.116 11.046 2.266) 13.334 5.434 ( 1.795 -5.861 -0.866) 6.191 6.067 ( -9.548 -1.807 -0.808) 9.751 6.343 ( -4.997 -10.742 -1.301) 11.919 6.645 ( -1.590 -7.742 0.237) 7.907 7.003 ( 0.975 -7.235 -3.498) 8.096 7.362 ( -7.749 -6.648 -6.165) 11.927 7.456 ( -4.245 -1.218 0.888) 4.504 7.704 ( -6.418 3.358 -1.906) 7.490 7.800 ( 2.210 -1.796 0.910) 2.990 8.062 ( 0.705 -3.257 -1.229) 3.552 8.140 ( 2.068 -6.147 -2.444) 6.931 8.279 ( 5.567 -5.751 -1.376) 8.122 8.499 ( 5.184 -7.059 3.128) 9.300 8.810 ( 3.044 0.840 11.219) 11.655 9.068 ( 5.093 -3.193 2.516) 6.516 9.666 ( 2.521 8.096 3.392) 9.133 9.960 ( -3.959 1.308 -2.312) 4.767 10.174 ( 2.314 5.054 -0.694) 5.601 10.316 ( 3.484 2.681 -1.512) 4.649 10.611 ( -2.008 3.343 -1.698) 4.253 10.835 ( 7.365 1.661 -1.754) 7.752 10.964 ( -0.612 7.744 0.700) 7.800 11.193 ( -0.608 5.556 -3.923) 6.829 11.703 ( -3.701 0.914 0.201) 3.818 12.010 ( 3.979 -0.316 5.768) 7.014 12.189 ( -3.061 -7.312 3.044) 8.491 12.391 ( -3.080 -4.790 -4.646) 7.350 13.019 ( 0.895 9.492 1.127) 9.601 13.268 ( -2.741 7.390 -3.935) 8.809 13.586 ( -0.788 0.439 0.996) 1.344 13.687 ( -10.017 -6.625 3.213) 12.432 14.220 ( 15.890 11.978 -2.606) 20.069 15.046 ( 5.213 1.394 1.902) 5.721 15.392 ( 4.619 -5.449 1.195) 7.242 15.714 ( -3.737 -4.717 -1.908) 6.314 16.102 ( -1.899 -4.135 1.184) 4.701 16.208 ( 4.647 -2.619 -1.055) 5.437 16.560 ( -3.742 0.365 -6.210) 7.260 16.951 ( 11.031 -5.522 -2.690) 12.625 17.278 ( 2.303 7.551 0.223) 7.898 17.747 ( -2.980 18.026 -12.000) 21.859 18.097 ( -3.625 2.424 20.512) 20.970 19.505 ( -4.796 -10.229 -2.988) 11.686 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 10.194 17.825 4.064) 20.932 1.757 ( 12.392 20.454 5.866) 24.624 2.333 ( 9.264 14.192 3.047) 17.220 2.470 ( -3.438 -0.117 -11.132) 11.651 2.524 ( -3.164 0.342 -0.815) 3.285 2.722 ( -0.572 -0.689 10.476) 10.514 2.814 ( -2.713 -4.120 -4.840) 6.911 3.068 ( -3.662 3.913 3.907) 6.632 3.216 ( -9.053 -2.498 -1.999) 9.601 3.274 ( -3.689 -4.608 -6.712) 8.939 3.478 ( -1.777 -6.869 4.711) 8.517 3.953 ( -4.622 -10.711 -5.680) 12.976 4.567 ( 1.074 1.834 6.889) 7.209 4.663 ( -2.896 1.827 2.651) 4.331 4.797 ( -2.337 -0.058 11.306) 11.545 4.868 ( 0.427 6.665 1.091) 6.767 5.329 ( 1.083 1.981 -0.600) 2.336 5.488 ( 4.720 -1.372 1.210) 5.062 5.876 ( -11.368 -0.825 0.388) 11.404 6.227 ( -6.832 -7.168 -0.977) 9.950 6.613 ( -1.867 -7.083 -0.238) 7.328 6.963 ( -0.100 -2.168 -6.312) 6.675 7.183 ( -3.913 -6.624 -5.693) 9.571 7.396 ( -4.923 -6.149 3.680) 8.694 7.567 ( -6.827 3.209 -2.665) 8.000 7.821 ( -0.061 -6.614 0.235) 6.619 8.035 ( -3.453 -1.245 -0.423) 3.695 8.170 ( 5.814 -8.243 -4.210) 10.930 8.329 ( 3.008 -2.076 0.601) 3.704 8.672 ( 9.048 -7.008 2.528) 11.720 8.999 ( 1.366 -0.824 13.375) 13.469 9.171 ( 3.324 -3.090 2.037) 4.975 9.774 ( 4.437 6.911 3.734) 9.022 9.890 ( -0.529 4.289 -1.971) 4.750 10.164 ( 1.266 4.046 -6.733) 7.956 10.333 ( 1.826 3.513 -4.801) 6.223 10.629 ( 3.465 7.257 3.589) 8.806 10.921 ( 6.523 0.915 -3.332) 7.381 10.968 ( 0.114 6.319 0.381) 6.331 11.134 ( 0.422 4.352 -4.228) 6.082 11.667 ( -2.751 -1.445 2.744) 4.145 12.058 ( -5.124 -6.407 -1.362) 8.316 12.212 ( -1.403 -1.692 7.483) 7.799 12.285 ( -0.828 -1.079 -2.960) 3.258 13.056 ( 1.788 11.408 1.635) 11.662 13.182 ( -1.365 6.773 -3.969) 7.968 13.544 ( -6.490 -2.188 4.119) 7.992 13.609 ( -3.239 -3.922 0.637) 5.127 14.479 ( 18.072 12.585 -1.826) 22.098 15.155 ( 5.557 -1.652 -0.121) 5.799 15.486 ( 4.954 2.437 -2.997) 6.282 15.614 ( -4.104 -6.386 -1.048) 7.663 16.082 ( -0.799 -2.369 -0.459) 2.542 16.308 ( 6.363 -5.306 -1.490) 8.418 16.477 ( 2.931 0.695 -1.723) 3.470 17.083 ( 8.123 -6.587 -3.386) 10.993 17.319 ( 2.927 8.552 -2.256) 9.316 17.567 ( -3.966 19.980 -8.014) 21.889 18.271 ( -4.068 -2.552 21.670) 22.196 19.342 ( -8.721 -11.130 -5.532) 15.183 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.744 11.080 3.856) 11.755 1.974 ( 7.128 14.269 0.391) 15.956 2.208 ( -8.146 2.279 -9.539) 12.749 2.323 ( -7.525 5.081 -6.513) 11.174 2.486 ( 5.007 -0.273 -3.761) 6.268 2.672 ( -3.316 -5.650 -3.748) 7.547 2.874 ( 0.150 -4.382 4.352) 6.178 3.027 ( -3.914 7.962 1.304) 8.967 3.138 ( -4.298 -6.105 -5.308) 9.161 3.175 ( -1.230 3.624 4.385) 5.820 3.518 ( -2.032 -4.731 6.697) 8.448 3.776 ( -7.583 -8.152 -7.284) 13.305 4.616 ( 4.737 3.101 -1.650) 5.898 4.725 ( 1.252 -0.990 8.405) 8.556 4.857 ( 1.715 2.104 9.845) 10.212 5.001 ( -0.055 2.157 11.299) 11.503 5.299 ( -2.661 -5.094 0.031) 5.747 5.561 ( 0.583 0.438 1.494) 1.663 5.745 ( -5.920 -2.849 2.618) 7.072 6.097 ( -8.200 -5.247 -0.185) 9.737 6.594 ( 0.602 -3.396 -0.796) 3.540 6.857 ( -2.338 -0.272 -5.958) 6.407 7.129 ( 2.425 -1.842 -3.194) 4.413 7.393 ( -1.304 -11.337 3.847) 12.043 7.421 ( -6.813 3.728 -1.307) 7.875 7.822 ( 0.361 -9.583 -0.147) 9.591 7.936 ( -6.729 1.464 -1.571) 7.063 8.212 ( 4.350 -11.523 -4.562) 13.134 8.415 ( 2.444 0.626 6.153) 6.651 8.807 ( 5.497 -6.354 -0.874) 8.447 9.117 ( -2.426 -0.031 8.685) 9.018 9.242 ( 2.220 -0.995 3.730) 4.453 9.802 ( -0.261 5.827 -5.501) 8.018 9.901 ( 2.065 5.645 -3.531) 6.971 10.131 ( 4.197 5.497 -3.940) 7.960 10.284 ( 0.939 2.865 -5.156) 5.973 10.762 ( 5.043 7.531 4.609) 10.168 10.949 ( -0.338 5.444 -0.442) 5.472 11.006 ( 7.748 1.813 -3.991) 8.902 11.160 ( 3.830 1.330 2.607) 4.821 11.659 ( -2.901 -4.189 3.272) 6.056 11.880 ( -9.299 -3.761 -5.652) 11.514 12.153 ( -2.888 -1.963 -3.029) 4.622 12.379 ( 0.874 0.318 8.044) 8.098 13.105 ( 1.109 10.162 -1.418) 10.321 13.161 ( 3.111 10.267 1.787) 10.876 13.494 ( -3.733 -0.791 0.916) 3.924 13.566 ( -3.767 -6.585 3.578) 8.387 14.774 ( 18.915 11.739 -1.096) 22.288 15.210 ( 2.183 -2.862 -1.799) 4.024 15.400 ( -2.727 4.723 -9.277) 10.761 15.634 ( 1.834 -3.816 3.031) 5.207 16.052 ( 0.160 -2.813 -5.418) 6.107 16.332 ( 5.499 0.933 -5.339) 7.721 16.666 ( 8.685 1.806 8.521) 12.301 17.138 ( 2.722 -5.134 -2.055) 6.164 17.280 ( -5.108 15.617 0.472) 16.438 17.496 ( 5.711 7.799 -7.368) 12.155 18.444 ( -2.691 -6.605 18.524) 19.850 19.102 ( -11.033 -12.885 -7.226) 18.438 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -9.446 8.156 -2.410) 12.711 1.897 ( -8.210 3.799 -0.734) 9.076 2.063 ( 1.129 2.735 -9.770) 10.208 2.323 ( 8.575 5.366 -3.773) 10.796 2.503 ( -0.177 -1.364 3.245) 3.525 2.585 ( -1.526 -3.359 -5.004) 6.217 2.822 ( -6.637 -1.096 -1.091) 6.815 2.979 ( -4.679 9.111 2.668) 10.584 3.005 ( -4.076 -6.699 -4.458) 9.020 3.208 ( 0.952 4.460 1.531) 4.810 3.496 ( -7.445 -4.723 -4.346) 9.830 3.595 ( -4.156 -4.191 0.913) 5.972 4.751 ( 9.645 -1.305 0.955) 9.779 4.853 ( 7.574 -5.298 4.269) 10.181 5.052 ( -2.762 -0.902 2.916) 4.117 5.089 ( 4.664 1.854 17.033) 17.757 5.279 ( -2.658 -5.158 4.297) 7.220 5.550 ( -1.869 0.373 0.184) 1.915 5.685 ( -5.803 -7.006 0.549) 9.114 5.945 ( -9.535 -6.433 -0.040) 11.502 6.609 ( 2.478 0.243 -1.702) 3.016 6.811 ( 1.434 3.103 -0.174) 3.423 7.149 ( 0.976 3.391 -0.444) 3.556 7.328 ( 1.574 0.773 -3.531) 3.943 7.446 ( -0.113 -10.221 5.009) 11.383 7.777 ( -7.642 3.109 -3.407) 8.926 7.837 ( -0.306 -9.789 1.064) 9.851 8.202 ( 0.477 -14.018 -4.104) 14.614 8.533 ( -0.065 1.317 10.563) 10.645 8.829 ( 2.032 -3.457 -6.359) 7.517 9.156 ( -0.754 2.547 5.249) 5.883 9.322 ( 1.298 1.319 4.571) 4.931 9.685 ( -3.073 8.178 -8.775) 12.383 9.841 ( -0.515 3.829 -7.401) 8.349 10.142 ( 1.590 0.043 -3.973) 4.280 10.322 ( 5.685 4.873 0.406) 7.499 10.867 ( 3.638 5.633 1.332) 6.836 10.981 ( 3.488 4.902 2.038) 6.352 11.093 ( 5.005 4.075 -0.267) 6.459 11.284 ( 5.057 -0.987 4.070) 6.566 11.576 ( -7.736 0.536 -5.429) 9.467 11.721 ( -4.355 -8.628 2.086) 9.887 12.090 ( -0.631 -0.132 -2.706) 2.782 12.432 ( -2.529 0.381 4.119) 4.849 13.071 ( -0.888 8.414 -2.788) 8.908 13.292 ( 4.757 10.017 5.497) 12.377 13.427 ( -1.356 0.281 -3.602) 3.859 13.584 ( -1.824 -6.821 6.630) 9.686 15.042 ( 14.692 6.770 -5.088) 16.958 15.184 ( -3.954 0.066 -0.312) 3.966 15.297 ( 3.102 1.207 -4.523) 5.616 15.701 ( 1.451 3.799 3.837) 5.592 15.962 ( -1.224 -3.672 -7.544) 8.479 16.407 ( 8.501 7.260 -4.259) 11.963 16.765 ( -4.688 15.210 1.999) 16.041 17.148 ( -2.447 5.306 0.774) 5.895 17.303 ( 4.257 -0.905 8.247) 9.325 17.538 ( 8.276 -0.030 -6.051) 10.252 18.588 ( -1.293 -9.568 12.274) 15.616 18.831 ( -10.811 -15.779 -7.542) 20.561 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.016 10.406 0.213) 10.408 1.789 ( -4.801 2.250 -0.404) 5.317 1.929 ( -3.699 3.567 -6.402) 8.209 2.396 ( 4.393 -3.257 -0.676) 5.511 2.510 ( -0.536 -3.109 -2.416) 3.974 2.619 ( 5.214 -0.701 4.444) 6.887 2.689 ( -5.728 0.662 -1.706) 6.013 2.837 ( -6.753 -0.102 -3.265) 7.501 3.056 ( 5.235 3.114 5.402) 8.142 3.229 ( 0.380 5.028 0.165) 5.045 3.264 ( -8.887 -0.999 -7.664) 11.778 3.593 ( -0.645 -4.043 1.775) 4.462 4.888 ( 4.474 -4.575 0.951) 6.469 5.016 ( -0.482 -5.385 0.049) 5.407 5.064 ( 8.375 -5.802 2.148) 10.412 5.257 ( -2.609 -2.664 1.877) 4.174 5.346 ( 3.202 -2.847 12.202) 12.933 5.522 ( -0.774 0.005 -0.672) 1.025 5.544 ( -7.223 -5.851 -4.751) 10.439 5.814 ( -4.725 -8.574 -0.118) 9.791 6.627 ( 1.247 0.888 -0.916) 1.784 6.860 ( 1.597 6.578 1.548) 6.944 7.150 ( -0.268 6.160 0.820) 6.220 7.374 ( 4.846 -1.418 -1.702) 5.329 7.499 ( 2.477 -6.143 1.747) 6.850 7.606 ( -8.212 4.891 -1.645) 9.699 7.849 ( 0.227 -12.207 0.367) 12.214 8.159 ( -0.771 -14.751 -1.704) 14.869 8.643 ( -2.064 0.684 12.213) 12.405 8.749 ( 1.402 -0.338 -11.243) 11.335 9.221 ( 0.919 2.704 4.077) 4.978 9.393 ( 3.128 7.327 2.467) 8.340 9.529 ( -5.264 8.815 -5.451) 11.625 9.759 ( 0.032 -0.066 -4.602) 4.603 10.130 ( 0.518 -3.726 -1.070) 3.911 10.402 ( 2.710 5.629 -0.073) 6.248 10.926 ( 1.690 5.492 0.780) 5.799 11.087 ( 4.903 3.802 2.043) 6.532 11.162 ( 1.066 5.316 4.981) 7.363 11.304 ( -3.350 2.579 -8.969) 9.916 11.448 ( -0.505 -2.070 2.114) 3.002 11.707 ( -1.347 -11.199 1.754) 11.415 12.068 ( 0.229 1.146 -1.005) 1.541 12.415 ( -1.782 1.001 0.863) 2.219 13.032 ( -0.628 8.533 -1.149) 8.633 13.343 ( -1.290 -0.146 0.137) 1.305 13.437 ( 2.928 6.341 0.466) 6.999 13.626 ( -0.342 -4.484 3.098) 5.460 15.104 ( 4.740 0.308 -7.413) 8.805 15.114 ( -4.436 1.280 2.646) 5.322 15.405 ( 6.896 -0.651 0.563) 6.949 15.738 ( -2.108 7.638 2.111) 8.200 15.893 ( 0.879 1.929 -2.303) 3.130 16.456 ( 2.911 15.101 -4.744) 16.094 16.701 ( -2.907 12.684 2.207) 13.199 17.101 ( -2.603 10.039 0.445) 10.380 17.435 ( 1.756 -1.917 2.359) 3.511 17.645 ( 6.313 -4.873 0.401) 7.984 18.610 ( -6.183 -19.604 -2.925) 20.763 18.671 ( 0.139 -11.080 3.208) 11.536 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 20.868 0.000) 20.868 1.878 ( 0.000 22.113 0.000) 22.113 2.198 ( 0.000 -5.422 0.000) 5.422 2.517 ( 0.000 -5.572 0.000) 5.572 2.787 ( 0.000 19.416 0.000) 19.416 2.800 ( 0.000 5.421 0.000) 5.421 2.991 ( 0.000 5.964 0.000) 5.964 3.074 ( 0.000 1.794 0.000) 1.794 3.267 ( 0.000 -9.950 0.000) 9.950 3.375 ( 0.000 -2.642 0.000) 2.642 3.506 ( 0.000 -5.029 0.000) 5.029 3.753 ( 0.000 -17.633 0.000) 17.633 4.365 ( 0.000 -3.401 0.000) 3.401 4.386 ( 0.000 -4.262 0.000) 4.262 5.095 ( 0.000 9.059 0.000) 9.059 5.138 ( 0.000 8.624 0.000) 8.624 5.355 ( 0.000 7.045 0.000) 7.045 5.381 ( 0.000 1.337 0.000) 1.337 6.094 ( 0.000 -3.024 0.000) 3.024 6.157 ( 0.000 -9.092 0.000) 9.092 6.541 ( 0.000 -2.933 0.000) 2.933 6.799 ( 0.000 -11.387 0.000) 11.387 7.380 ( 0.000 -1.595 0.000) 1.595 7.487 ( 0.000 -1.936 0.000) 1.936 7.785 ( 0.000 0.617 0.000) 0.617 7.839 ( 0.000 1.380 0.000) 1.380 7.955 ( 0.000 -8.249 0.000) 8.249 8.011 ( 0.000 -2.440 0.000) 2.440 8.084 ( 0.000 -2.288 0.000) 2.288 8.286 ( 0.000 -7.877 0.000) 7.877 8.771 ( 0.000 3.359 0.000) 3.359 8.921 ( 0.000 -3.966 0.000) 3.966 9.819 ( 0.000 8.343 0.000) 8.343 9.998 ( 0.000 -1.457 0.000) 1.457 10.238 ( 0.000 3.795 0.000) 3.795 10.341 ( 0.000 0.718 0.000) 0.718 10.716 ( 0.000 3.214 0.000) 3.214 10.800 ( 0.000 1.025 0.000) 1.025 11.122 ( 0.000 6.389 0.000) 6.389 11.282 ( 0.000 -0.052 0.000) 0.052 11.781 ( 0.000 2.126 0.000) 2.126 11.929 ( 0.000 -2.884 0.000) 2.884 12.099 ( 0.000 0.839 0.000) 0.839 12.309 ( 0.000 -6.545 0.000) 6.545 13.207 ( 0.000 9.990 0.000) 9.990 13.474 ( 0.000 5.922 0.000) 5.922 13.553 ( 0.000 -4.127 0.000) 4.127 13.633 ( 0.000 -4.655 0.000) 4.655 14.414 ( 0.000 18.246 0.000) 18.246 15.090 ( 0.000 7.350 0.000) 7.350 15.112 ( 0.000 -13.702 0.000) 13.702 15.578 ( 0.000 -11.927 0.000) 11.927 16.068 ( 0.000 1.899 0.000) 1.899 16.178 ( 0.000 -0.791 0.000) 0.791 16.663 ( 0.000 0.438 0.000) 0.438 16.758 ( 0.000 -3.950 0.000) 3.950 17.411 ( 0.000 7.731 0.000) 7.731 17.762 ( 0.000 -8.665 0.000) 8.665 18.485 ( 0.000 25.000 0.000) 25.000 19.307 ( 0.000 -14.362 0.000) 14.362 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 9.498 19.315 5.335) 22.175 1.937 ( 6.610 19.305 1.640) 20.472 2.318 ( 8.255 -4.707 6.989) 11.796 2.508 ( -1.067 -7.327 -1.312) 7.519 2.676 ( -0.377 15.276 -10.459) 18.517 2.805 ( -6.175 7.021 2.036) 9.569 2.922 ( -5.458 1.745 -0.663) 5.769 3.118 ( -0.461 3.459 4.344) 5.572 3.221 ( -2.315 -8.893 -6.373) 11.183 3.325 ( -5.055 -6.131 -1.772) 8.141 3.399 ( -3.552 -1.675 -3.843) 5.495 3.773 ( -0.158 -13.508 0.551) 13.520 4.439 ( 0.760 -2.070 8.442) 8.725 4.483 ( 2.375 -3.199 15.107) 15.623 5.012 ( -5.355 9.386 -4.900) 11.865 5.100 ( -3.439 8.895 -0.215) 9.539 5.352 ( -2.497 -0.029 -1.331) 2.830 5.425 ( 4.140 3.640 2.578) 6.086 6.026 ( -7.214 -1.775 -1.015) 7.498 6.129 ( -2.746 -8.566 -0.840) 9.034 6.528 ( -0.520 -2.419 -0.811) 2.604 6.813 ( 3.348 -11.023 -1.983) 11.690 7.272 ( -8.002 -0.509 -4.384) 9.138 7.405 ( -7.265 -3.451 -1.537) 8.188 7.745 ( -3.019 -2.199 0.021) 3.734 7.762 ( -6.462 0.354 -0.771) 6.517 7.990 ( 3.639 -5.498 -1.849) 6.848 8.013 ( 1.139 -1.739 -2.890) 3.560 8.191 ( 6.691 -2.076 2.791) 7.541 8.346 ( 5.460 -7.031 3.814) 9.684 8.852 ( 4.466 2.792 6.437) 8.317 8.987 ( 5.986 -3.819 1.225) 7.206 9.837 ( 1.098 7.206 2.221) 7.620 9.971 ( -1.049 -0.137 -1.775) 2.066 10.251 ( 2.016 3.409 -2.060) 4.464 10.367 ( 3.429 0.044 -1.925) 3.932 10.711 ( 1.130 5.687 0.519) 5.821 10.852 ( 4.262 -0.310 0.115) 4.275 11.109 ( -0.849 5.935 -0.703) 6.037 11.253 ( -0.946 0.122 -3.505) 3.633 11.750 ( -4.235 3.384 1.529) 5.632 11.948 ( -1.273 -5.459 3.036) 6.375 12.126 ( 1.626 1.404 3.116) 3.785 12.284 ( 0.114 -5.017 -3.902) 6.357 13.217 ( 1.412 8.776 -0.164) 8.890 13.395 ( -3.511 3.525 -4.978) 7.038 13.556 ( -6.715 -2.792 5.403) 9.060 13.600 ( -1.785 -1.388 1.046) 2.491 14.541 ( 14.053 17.104 -1.190) 22.169 15.078 ( 4.868 -1.019 -5.165) 7.170 15.236 ( 5.381 -4.981 8.283) 11.063 15.582 ( 1.032 -9.836 -0.882) 9.930 16.064 ( 0.465 1.536 -1.232) 2.023 16.169 ( 1.302 -1.337 -2.883) 3.434 16.579 ( -2.593 1.693 -6.635) 7.322 16.802 ( 6.489 -7.876 -4.358) 11.097 17.454 ( 1.291 8.753 4.833) 10.082 17.799 ( 0.899 -6.250 4.267) 7.621 18.443 ( -7.129 22.775 3.503) 24.120 19.244 ( -5.806 -14.530 -2.415) 15.832 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 4.591 16.083 2.148) 16.863 2.143 ( 11.022 15.531 4.105) 19.482 2.418 ( -4.532 -5.100 -4.669) 8.268 2.552 ( -1.846 5.162 -8.425) 10.052 2.557 ( 7.690 1.014 1.595) 7.919 2.664 ( -6.875 -0.094 0.685) 6.909 2.784 ( -11.705 -0.448 -3.176) 12.137 3.044 ( -1.787 -11.512 -9.028) 14.739 3.134 ( -1.393 0.559 1.248) 1.952 3.261 ( -3.310 -1.049 4.239) 5.480 3.391 ( 0.269 2.694 4.115) 4.926 3.734 ( -3.091 -9.657 -2.621) 10.473 4.590 ( 1.630 2.164 14.329) 14.583 4.722 ( 0.828 -0.729 17.687) 17.721 4.860 ( -5.178 7.915 -3.665) 10.144 5.028 ( -2.962 7.453 -1.378) 8.138 5.273 ( -5.011 -2.525 -0.838) 5.674 5.504 ( 1.083 -1.540 2.691) 3.284 5.856 ( -10.600 -0.662 -1.162) 10.684 6.044 ( -5.930 -9.578 -1.609) 11.380 6.535 ( 3.022 0.851 -0.415) 3.167 6.871 ( 5.673 -8.412 -1.617) 10.274 7.080 ( -6.710 -0.362 -5.538) 8.708 7.261 ( -7.521 -6.346 -0.824) 9.875 7.640 ( -6.405 2.709 -1.362) 7.087 7.703 ( -2.286 -3.597 0.539) 4.295 7.979 ( -1.444 -3.345 -1.688) 4.015 8.013 ( 3.590 -5.785 -5.135) 8.528 8.320 ( 4.628 1.179 4.320) 6.440 8.515 ( 6.382 -7.225 5.635) 11.167 9.019 ( 4.367 1.935 8.106) 9.409 9.109 ( 6.121 -2.579 1.520) 6.814 9.903 ( 3.158 4.807 1.554) 5.958 9.951 ( 2.060 1.675 -2.924) 3.949 10.243 ( 2.510 4.110 -5.661) 7.432 10.378 ( 2.806 -0.023 -5.735) 6.384 10.788 ( 4.157 6.647 4.063) 8.830 10.921 ( 4.410 -0.784 -0.277) 4.488 11.086 ( -0.998 4.634 -0.361) 4.754 11.186 ( -1.013 0.482 -4.124) 4.274 11.687 ( -5.066 3.189 1.403) 6.148 11.911 ( -6.580 -6.832 1.535) 9.609 12.205 ( 1.463 0.773 0.755) 1.819 12.265 ( 3.372 -1.153 0.175) 3.568 13.254 ( 2.973 6.255 0.452) 6.940 13.300 ( -1.773 3.942 -2.663) 5.077 13.484 ( -8.229 -0.773 6.031) 10.232 13.577 ( -2.893 -1.074 0.226) 3.094 14.789 ( 17.321 15.296 -3.218) 23.331 15.120 ( 5.906 -1.867 -4.390) 7.592 15.429 ( 5.334 -3.292 7.583) 9.838 15.584 ( 2.859 -1.699 -4.727) 5.780 16.053 ( 0.970 -0.379 -3.595) 3.743 16.193 ( 5.663 -4.912 -0.446) 7.510 16.493 ( 2.272 2.759 -5.339) 6.425 16.870 ( 7.754 -11.775 -4.552) 14.815 17.537 ( 0.755 10.869 5.921) 12.400 17.849 ( 1.055 2.191 -0.539) 2.491 18.352 ( -12.044 13.189 10.444) 20.690 19.065 ( -10.830 -15.070 -4.498) 19.096 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -6.089 9.971 1.821) 11.824 2.205 ( -9.988 2.095 -6.195) 11.938 2.241 ( -2.992 5.049 -6.734) 8.933 2.451 ( -2.907 4.804 -7.847) 9.649 2.490 ( 0.840 1.926 -0.308) 2.123 2.594 ( -0.083 -0.138 -4.675) 4.678 2.763 ( 2.648 -6.137 4.043) 7.811 2.925 ( -0.922 -10.337 -8.695) 13.539 3.175 ( 0.926 3.075 3.502) 4.751 3.265 ( -2.773 2.721 4.293) 5.790 3.448 ( -0.939 -0.431 5.263) 5.363 3.619 ( -5.434 -6.381 -4.754) 9.636 4.727 ( -1.049 6.934 -2.424) 7.420 4.777 ( 0.229 5.625 10.158) 11.613 4.896 ( -0.905 1.274 12.030) 12.131 5.042 ( 0.245 0.113 5.179) 5.186 5.201 ( -4.360 -0.854 5.175) 6.821 5.513 ( -3.203 -6.536 2.199) 7.603 5.680 ( -8.854 -2.110 -0.369) 9.109 5.902 ( -8.609 -11.814 -1.490) 14.694 6.615 ( 5.773 5.419 -0.137) 7.919 6.881 ( -2.485 2.043 -1.630) 3.606 7.038 ( 8.080 -6.827 -2.405) 10.849 7.151 ( -4.533 -9.987 -0.818) 10.998 7.534 ( -4.764 5.774 -0.075) 7.486 7.684 ( -0.764 -3.454 0.482) 3.570 7.925 ( -3.070 -1.871 -1.246) 3.805 7.999 ( 1.379 -8.071 -4.828) 9.505 8.450 ( 2.409 2.691 8.030) 8.805 8.657 ( 3.473 -6.936 4.576) 9.006 9.149 ( 2.341 2.237 4.796) 5.787 9.224 ( 5.042 -1.069 2.861) 5.895 9.903 ( 1.013 3.594 -7.088) 8.011 9.963 ( 2.579 0.711 -6.118) 6.677 10.237 ( 3.437 5.109 -3.885) 7.280 10.344 ( 1.788 1.602 -5.404) 5.913 10.897 ( 4.178 4.855 1.621) 6.607 11.015 ( 5.324 -0.631 2.940) 6.114 11.065 ( 0.054 4.718 -0.963) 4.815 11.174 ( 1.733 -0.181 1.710) 2.441 11.621 ( -4.359 0.771 0.990) 4.536 11.776 ( -8.587 -5.276 -2.268) 10.330 12.189 ( 0.982 4.217 -3.950) 5.861 12.364 ( 1.718 -2.053 4.981) 5.655 13.261 ( -0.909 4.644 -1.251) 4.894 13.336 ( 4.672 4.043 2.022) 6.501 13.442 ( -5.217 -1.073 7.090) 8.868 13.508 ( -4.179 -0.208 -1.498) 4.444 15.011 ( 14.354 8.762 -5.331) 17.641 15.155 ( 4.082 -2.148 -4.602) 6.516 15.480 ( -1.532 4.294 -4.329) 6.287 15.652 ( 7.393 3.202 3.200) 8.669 16.000 ( 0.752 -0.343 -7.140) 7.187 16.362 ( 11.673 -2.518 2.069) 12.119 16.586 ( 10.150 -2.589 3.923) 11.186 16.951 ( 6.627 -10.829 -2.795) 13.000 17.596 ( -1.484 13.502 4.944) 14.456 17.781 ( -2.597 13.658 -8.782) 16.444 18.318 ( -9.891 -3.237 16.089) 19.162 18.793 ( -14.356 -16.088 -5.995) 22.380 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -10.442 7.170 1.298) 12.733 1.956 ( -10.148 1.038 -2.206) 10.437 2.126 ( 0.239 3.329 -8.871) 9.479 2.335 ( -1.980 -5.000 -5.730) 7.859 2.525 ( 3.095 4.675 -2.724) 6.234 2.582 ( -0.548 2.760 -1.122) 3.029 2.756 ( -2.524 -4.529 -3.158) 6.071 2.857 ( -0.243 -6.767 -1.675) 6.976 3.169 ( -3.580 7.438 0.218) 8.258 3.284 ( 0.057 1.846 2.671) 3.247 3.426 ( -4.777 -1.359 -3.889) 6.308 3.506 ( -2.694 -3.875 1.890) 5.083 4.749 ( 4.659 1.349 -0.502) 4.877 4.825 ( 1.530 1.493 1.656) 2.705 5.008 ( -1.545 -1.431 1.336) 2.494 5.130 ( 2.066 1.777 15.536) 15.773 5.239 ( -3.642 1.357 7.284) 8.256 5.461 ( -5.597 -9.390 2.707) 11.262 5.564 ( -4.323 -3.071 -0.949) 5.387 5.739 ( -8.968 -11.366 -0.752) 14.497 6.668 ( 1.760 5.219 -1.909) 5.830 6.899 ( 3.744 4.505 2.583) 6.402 7.099 ( -0.523 -10.764 0.050) 10.777 7.169 ( 7.954 -4.670 -0.568) 9.241 7.493 ( -0.691 6.515 1.148) 6.651 7.681 ( 0.025 -2.920 -0.309) 2.936 7.847 ( -4.877 1.059 -0.831) 5.059 7.953 ( -0.941 -8.913 -3.522) 9.630 8.569 ( -0.723 2.179 10.012) 10.272 8.726 ( 0.994 -5.282 0.743) 5.426 9.231 ( 3.095 4.256 3.004) 6.059 9.348 ( 4.878 0.152 4.858) 6.886 9.800 ( -0.916 3.345 -10.329) 10.896 9.878 ( -1.102 -0.539 -9.696) 9.773 10.198 ( -1.181 5.344 -5.724) 7.920 10.373 ( 4.651 -0.320 -0.779) 4.727 10.972 ( 3.309 4.561 1.546) 5.843 11.091 ( 5.142 3.914 -1.681) 6.677 11.145 ( 2.883 1.094 6.112) 6.845 11.256 ( 3.413 -1.644 3.853) 5.403 11.561 ( -3.963 -1.223 -1.031) 4.273 11.597 ( -7.790 -2.941 -2.799) 8.784 12.164 ( 0.820 6.128 -2.871) 6.816 12.408 ( -1.158 -2.946 2.368) 3.953 13.221 ( -2.201 5.496 -0.772) 5.970 13.389 ( -3.284 -2.152 -1.287) 4.132 13.463 ( 3.816 3.304 1.274) 5.206 13.480 ( -0.954 -1.515 6.506) 6.748 15.119 ( 6.825 1.346 -7.992) 10.596 15.166 ( 1.932 -1.172 -1.138) 2.530 15.405 ( 1.059 7.845 -5.118) 9.427 15.752 ( -0.097 -5.037 -1.968) 5.409 16.022 ( 8.281 14.540 2.460) 16.912 16.578 ( 12.964 7.448 -0.838) 14.974 16.862 ( 11.353 -9.971 8.324) 17.251 17.010 ( 2.883 -5.260 -1.547) 6.194 17.556 ( -8.501 15.441 1.673) 17.706 17.660 ( 1.803 11.643 -6.535) 13.473 18.356 ( -6.211 -11.966 12.463) 18.360 18.470 ( -14.636 -17.511 -6.855) 23.829 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.764 7.692 3.634) 8.541 1.831 ( -4.379 1.369 0.021) 4.588 2.015 ( -1.970 4.701 -7.168) 8.796 2.280 ( 0.699 -7.044 -1.954) 7.343 2.467 ( -1.591 -0.258 -2.926) 3.341 2.603 ( -1.167 -2.463 2.203) 3.504 2.681 ( 0.033 0.880 -2.999) 3.125 2.833 ( -1.502 -1.787 -0.437) 2.375 3.142 ( 0.109 4.577 1.747) 4.900 3.248 ( -3.833 0.785 -3.048) 4.960 3.350 ( 0.155 4.757 -0.504) 4.786 3.509 ( -0.455 -3.905 1.434) 4.185 4.815 ( 2.405 -2.208 0.200) 3.271 4.867 ( 1.182 -6.002 -0.298) 6.124 5.042 ( 5.243 1.893 1.354) 5.737 5.184 ( -7.723 -2.142 1.048) 8.083 5.320 ( 2.225 -1.467 9.635) 9.997 5.413 ( -2.798 -5.201 -0.024) 5.906 5.504 ( -1.101 -2.722 -1.536) 3.314 5.612 ( -4.459 -8.894 -0.271) 9.953 6.667 ( 0.431 3.830 -0.773) 3.931 6.970 ( 1.048 0.275 1.176) 1.599 7.146 ( 3.135 -6.630 2.073) 7.621 7.247 ( 1.653 -0.560 -0.620) 1.852 7.537 ( 3.413 2.698 1.524) 4.610 7.658 ( -1.638 0.981 -2.318) 3.003 7.767 ( -3.155 2.394 0.482) 3.990 7.903 ( -1.049 -9.049 -1.443) 9.224 8.645 ( -1.837 0.159 7.232) 7.464 8.716 ( 0.610 -2.562 -3.557) 4.426 9.320 ( 2.388 6.655 2.840) 7.619 9.502 ( 5.396 2.421 7.220) 9.333 9.665 ( -3.199 3.315 -7.397) 8.714 9.736 ( -2.249 -2.403 -7.816) 8.481 10.128 ( -0.813 4.628 -2.412) 5.281 10.426 ( 1.988 -3.513 -0.463) 4.063 11.038 ( 1.772 5.193 1.390) 5.660 11.169 ( 4.113 2.918 -0.017) 5.043 11.239 ( 1.106 1.841 4.849) 5.303 11.330 ( 1.024 -0.542 -1.655) 2.020 11.431 ( -3.435 0.642 -1.616) 3.850 11.524 ( -2.556 -5.437 0.152) 6.009 12.153 ( 0.386 6.192 -1.003) 6.285 12.399 ( -1.030 -2.841 0.430) 3.052 13.186 ( -1.068 5.818 -0.152) 5.917 13.321 ( -1.741 -1.595 -1.242) 2.667 13.514 ( 0.580 1.017 1.466) 1.876 13.550 ( 1.351 -2.441 2.137) 3.514 15.121 ( 3.271 1.659 -4.455) 5.770 15.157 ( -2.102 1.920 0.560) 2.902 15.415 ( 2.963 2.333 -1.513) 4.063 15.685 ( -2.129 -7.353 -2.145) 7.950 16.216 ( 6.080 21.957 3.897) 23.114 16.756 ( 9.236 12.944 -1.894) 16.014 16.976 ( -4.187 10.674 0.233) 11.468 17.053 ( 2.255 -12.010 1.450) 12.306 17.523 ( 0.342 -0.031 7.175) 7.184 17.631 ( 2.306 11.669 -6.677) 13.641 18.172 ( -10.359 -19.826 -2.958) 22.564 18.398 ( -1.316 -14.650 3.611) 15.146 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 0.000 -14.090 0.000) 14.090 1.994 ( 0.000 14.090 0.000) 14.090 2.272 ( 0.000 -15.429 0.000) 15.429 2.272 ( 0.000 15.429 0.000) 15.429 2.929 ( 0.000 -3.530 0.000) 3.530 2.929 ( 0.000 3.530 0.000) 3.530 3.087 ( 0.000 -1.582 0.000) 1.582 3.087 ( 0.000 1.582 0.000) 1.582 3.333 ( 0.000 -12.422 0.000) 12.422 3.333 ( 0.000 12.423 0.000) 12.423 3.421 ( 0.000 -2.467 0.000) 2.467 3.421 ( 0.000 2.467 0.000) 2.467 4.331 ( 0.000 -0.548 0.000) 0.548 4.331 ( 0.000 0.548 0.000) 0.548 5.229 ( 0.000 -1.639 0.000) 1.639 5.229 ( 0.000 1.639 0.000) 1.639 5.417 ( 0.000 -0.506 0.000) 0.506 5.417 ( 0.000 0.506 0.000) 0.506 6.057 ( 0.000 -0.456 0.000) 0.456 6.057 ( 0.000 0.456 0.000) 0.456 6.580 ( 0.000 -7.274 0.000) 7.274 6.580 ( 0.000 7.274 0.000) 7.274 7.419 ( 0.000 -3.851 0.000) 3.851 7.419 ( 0.000 3.851 0.000) 3.851 7.801 ( 0.000 -2.174 0.000) 2.174 7.801 ( 0.000 2.174 0.000) 2.174 7.929 ( 0.000 -3.439 0.000) 3.439 7.929 ( 0.000 3.439 0.000) 3.439 8.139 ( 0.000 -5.667 0.000) 5.667 8.139 ( 0.000 5.667 0.000) 5.667 8.844 ( 0.000 -3.488 0.000) 3.488 8.844 ( 0.000 3.488 0.000) 3.488 9.949 ( 0.000 -3.902 0.000) 3.902 9.949 ( 0.000 3.902 0.000) 3.902 10.310 ( 0.000 -2.910 0.000) 2.910 10.310 ( 0.000 2.910 0.000) 2.910 10.784 ( 0.000 -2.438 0.000) 2.438 10.784 ( 0.000 2.438 0.000) 2.438 11.234 ( 0.000 -4.104 0.000) 4.104 11.234 ( 0.000 4.105 0.000) 4.105 11.844 ( 0.000 -3.861 0.000) 3.861 11.844 ( 0.000 3.861 0.000) 3.861 12.182 ( 0.000 -5.474 0.000) 5.474 12.182 ( 0.000 5.474 0.000) 5.474 13.406 ( 0.000 -8.625 0.000) 8.625 13.406 ( 0.000 8.625 0.000) 8.625 13.569 ( 0.000 -3.217 0.000) 3.217 13.569 ( 0.000 3.218 0.000) 3.218 14.790 ( 0.000 -16.785 0.000) 16.785 14.790 ( 0.000 16.785 0.000) 16.785 15.302 ( 0.000 -12.583 0.000) 12.583 15.302 ( 0.000 12.583 0.000) 12.583 16.135 ( 0.000 -3.214 0.000) 3.214 16.135 ( 0.000 3.214 0.000) 3.214 16.689 ( 0.000 -2.307 0.000) 2.307 16.689 ( 0.000 2.307 0.000) 2.307 17.581 ( 0.000 -8.399 0.000) 8.399 17.581 ( 0.000 8.399 0.000) 8.399 18.953 ( 0.000 -19.396 0.000) 19.396 18.953 ( 0.000 19.396 0.000) 19.396 ======================= Grid point 46 (26/170) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 8.885 -12.639 4.172) 16.003 2.108 ( 8.885 12.640 4.172) 16.003 2.290 ( 1.451 -11.773 1.188) 11.921 2.290 ( 1.450 11.773 1.188) 11.921 2.893 ( -2.321 -5.360 -3.193) 6.657 2.893 ( -2.321 5.360 -3.193) 6.657 2.989 ( -7.352 -5.728 -6.369) 11.289 2.989 ( -7.352 5.728 -6.369) 11.289 3.211 ( -4.697 -3.298 -3.350) 6.645 3.211 ( -4.697 3.298 -3.350) 6.645 3.511 ( 2.121 -10.919 3.808) 11.757 3.511 ( 2.121 10.919 3.808) 11.757 4.431 ( 2.254 -1.330 13.126) 13.384 4.431 ( 2.254 1.330 13.126) 13.384 5.170 ( -3.609 -3.889 -4.344) 6.857 5.170 ( -3.609 3.889 -4.344) 6.857 5.408 ( -3.035 -4.598 2.593) 6.089 5.408 ( -3.035 4.598 2.593) 6.089 6.018 ( -4.362 -1.857 -1.087) 4.864 6.018 ( -4.362 1.857 -1.087) 4.864 6.588 ( 2.856 -8.239 -1.799) 8.904 6.588 ( 2.856 8.239 -1.799) 8.904 7.323 ( -8.069 -4.023 -2.824) 9.448 7.323 ( -8.069 4.023 -2.824) 9.448 7.732 ( -4.567 -1.709 -0.115) 4.877 7.732 ( -4.567 1.709 -0.115) 4.877 7.966 ( 2.102 -2.100 -2.579) 3.934 7.966 ( 2.102 2.100 -2.579) 3.934 8.220 ( 6.523 -4.419 3.755) 8.728 8.220 ( 6.523 4.419 3.755) 8.728 8.915 ( 5.627 -3.117 3.094) 7.138 8.915 ( 5.627 3.117 3.094) 7.138 9.944 ( 0.133 -2.859 -0.004) 2.862 9.944 ( 0.133 2.859 -0.004) 2.862 10.324 ( 2.676 -3.321 -2.342) 4.866 10.324 ( 2.676 3.321 -2.342) 4.866 10.814 ( 2.649 -3.452 1.034) 4.472 10.814 ( 2.649 3.452 1.034) 4.472 11.212 ( -0.973 -3.685 -2.265) 4.433 11.212 ( -0.973 3.685 -2.265) 4.433 11.837 ( -3.538 -4.731 3.150) 6.695 11.837 ( -3.538 4.731 3.150) 6.695 12.189 ( 2.185 -3.934 -1.309) 4.687 12.189 ( 2.185 3.935 -1.309) 4.687 13.369 ( -1.953 -5.198 -2.313) 6.015 13.369 ( -1.953 5.198 -2.312) 6.015 13.562 ( -3.180 -2.233 3.111) 4.977 13.562 ( -3.180 2.233 3.111) 4.977 14.882 ( 11.214 -14.171 -2.366) 18.226 14.882 ( 11.214 14.172 -2.366) 18.226 15.338 ( 2.027 -10.902 3.779) 11.716 15.338 ( 2.027 10.902 3.779) 11.716 16.127 ( 1.290 -2.997 -3.646) 4.893 16.127 ( 1.290 2.997 -3.646) 4.893 16.652 ( 0.597 -5.581 -5.658) 7.970 16.652 ( 0.597 5.581 -5.658) 7.970 17.637 ( 1.314 -8.466 6.910) 11.006 17.637 ( 1.314 8.466 6.910) 11.006 18.891 ( -6.714 -19.116 -1.006) 20.286 18.891 ( -6.714 19.116 -1.006) 20.286 ======================= Grid point 48 (27/170) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.063 -11.854 -1.485) 11.947 2.227 ( 0.063 11.855 -1.485) 11.947 2.409 ( 9.324 -9.129 4.135) 13.688 2.409 ( 9.324 9.129 4.135) 13.688 2.710 ( -14.106 -5.292 -5.803) 16.145 2.710 ( -14.106 5.292 -5.803) 16.145 2.805 ( -1.364 -9.401 -8.313) 12.623 2.805 ( -1.364 9.401 -8.313) 12.623 3.171 ( -0.274 -4.022 3.287) 5.201 3.171 ( -0.274 4.022 3.287) 5.201 3.547 ( -0.878 -8.488 0.933) 8.584 3.547 ( -0.878 8.488 0.933) 8.584 4.661 ( 2.345 -3.921 18.896) 19.440 4.662 ( 2.345 3.921 18.896) 19.440 5.035 ( -5.028 -6.653 -5.454) 9.964 5.035 ( -5.028 6.653 -5.454) 9.964 5.372 ( -5.256 -9.674 3.386) 11.518 5.372 ( -5.256 9.674 3.386) 11.518 5.884 ( -8.700 -4.342 -2.574) 10.058 5.884 ( -8.700 4.342 -2.574) 10.059 6.657 ( 7.479 -9.684 -0.962) 12.273 6.657 ( 7.479 9.684 -0.962) 12.273 7.142 ( -8.407 -4.806 -3.294) 10.229 7.142 ( -8.407 4.806 -3.294) 10.229 7.669 ( -3.334 -0.784 0.541) 3.467 7.669 ( -3.334 0.784 0.541) 3.467 7.943 ( 0.609 -0.898 -4.343) 4.476 7.943 ( 0.609 0.898 -4.343) 4.476 8.384 ( 5.598 -4.894 6.007) 9.559 8.384 ( 5.598 4.894 6.007) 9.559 9.062 ( 6.212 -2.038 3.909) 7.617 9.062 ( 6.212 2.038 3.909) 7.617 9.962 ( 2.507 -0.830 -1.574) 3.074 9.962 ( 2.507 0.830 -1.574) 3.074 10.332 ( 3.378 -3.866 -5.122) 7.252 10.332 ( 3.378 3.866 -5.122) 7.252 10.886 ( 3.629 -2.801 2.109) 5.046 10.886 ( 3.629 2.801 2.109) 5.046 11.162 ( -1.292 -2.499 -2.217) 3.582 11.162 ( -1.292 2.500 -2.217) 3.582 11.782 ( -6.361 -5.431 1.730) 8.541 11.782 ( -6.361 5.431 1.730) 8.541 12.234 ( 3.854 -1.684 -0.106) 4.207 12.234 ( 3.854 1.684 -0.106) 4.207 13.323 ( -1.380 -1.226 0.042) 1.846 13.323 ( -1.380 1.226 0.042) 1.846 13.531 ( -4.035 -3.348 2.335) 5.740 13.531 ( -4.035 3.348 2.335) 5.740 15.040 ( 11.751 -7.172 -6.415) 15.189 15.040 ( 11.751 7.173 -6.415) 15.189 15.466 ( 6.193 -6.724 6.463) 11.195 15.466 ( 6.193 6.724 6.463) 11.195 16.096 ( 2.478 -4.144 -6.262) 7.908 16.096 ( 2.478 4.145 -6.262) 7.908 16.631 ( 4.373 -9.889 -3.855) 11.479 16.631 ( 4.373 9.889 -3.855) 11.479 17.749 ( 1.447 -8.659 7.626) 11.629 17.749 ( 1.447 8.659 7.626) 11.629 18.714 ( -12.715 -18.026 -1.330) 22.100 18.714 ( -12.715 18.026 -1.330) 22.100 ======================= Grid point 50 (28/170) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -9.480 -6.722 -2.457) 11.878 2.121 ( -9.480 6.723 -2.457) 11.879 2.383 ( -8.003 -5.871 -8.438) 13.028 2.383 ( -8.003 5.871 -8.439) 13.028 2.629 ( 4.280 -5.872 4.768) 8.691 2.629 ( 4.280 5.872 4.768) 8.691 2.709 ( 1.479 -9.519 -8.909) 13.122 2.709 ( 1.479 9.519 -8.910) 13.122 3.236 ( 0.810 -3.199 5.166) 6.130 3.236 ( 0.810 3.199 5.166) 6.130 3.509 ( -3.079 -4.393 -1.402) 5.545 3.509 ( -3.079 4.393 -1.402) 5.545 4.846 ( -3.360 -2.982 5.528) 7.124 4.846 ( -3.360 2.983 5.528) 7.124 4.960 ( 0.798 -6.612 7.778) 10.240 4.960 ( 0.798 6.612 7.778) 10.240 5.321 ( -5.740 -9.835 4.625) 12.291 5.321 ( -5.740 9.835 4.625) 12.291 5.700 ( -8.921 -5.296 -2.619) 10.700 5.700 ( -8.921 5.296 -2.619) 10.700 6.791 ( 7.512 -10.032 -0.105) 12.533 6.791 ( 7.512 10.032 -0.105) 12.533 7.002 ( -2.954 -4.760 -2.189) 6.014 7.002 ( -2.954 4.760 -2.189) 6.014 7.632 ( -2.098 -3.012 0.834) 3.764 7.632 ( -2.098 3.012 0.834) 3.764 7.901 ( -0.461 -0.932 -3.182) 3.348 7.901 ( -0.461 0.932 -3.182) 3.348 8.530 ( 2.723 -4.975 7.297) 9.242 8.530 ( 2.723 4.975 7.297) 9.242 9.193 ( 4.962 -1.832 3.076) 6.119 9.193 ( 4.962 1.832 3.076) 6.119 9.954 ( 1.772 -1.368 -7.595) 7.918 9.954 ( 1.772 1.368 -7.595) 7.919 10.329 ( 2.865 -2.995 -4.552) 6.157 10.329 ( 2.866 2.995 -4.552) 6.157 10.974 ( 4.126 -2.848 1.822) 5.334 10.974 ( 4.126 2.848 1.822) 5.334 11.146 ( 0.493 -2.640 1.484) 3.068 11.146 ( 0.493 2.640 1.484) 3.068 11.677 ( -6.336 -3.975 -0.975) 7.543 11.677 ( -6.336 3.975 -0.975) 7.543 12.290 ( 2.237 -4.685 0.172) 5.195 12.290 ( 2.237 4.686 0.172) 5.195 13.323 ( -1.360 -2.097 2.895) 3.825 13.323 ( -1.360 2.097 2.895) 3.825 13.490 ( -2.261 -2.225 0.544) 3.219 13.490 ( -2.261 2.226 0.544) 3.219 15.114 ( 6.889 -2.253 -6.747) 9.903 15.114 ( 6.889 2.253 -6.747) 9.903 15.614 ( 4.387 -6.554 -1.024) 7.953 15.614 ( 4.387 6.554 -1.023) 7.953 16.142 ( 9.429 -12.657 1.073) 15.820 16.142 ( 9.429 12.657 1.073) 15.820 16.714 ( 8.284 -10.741 -1.004) 13.602 16.714 ( 8.284 10.741 -1.004) 13.602 17.836 ( 1.044 -7.751 3.336) 8.503 17.836 ( 1.044 7.751 3.336) 8.503 18.452 ( -17.161 -14.737 0.115) 22.621 18.452 ( -17.161 14.737 0.115) 22.621 ======================= Grid point 52 (29/170) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -10.389 -4.397 0.406) 11.289 1.920 ( -10.390 4.397 0.406) 11.289 2.215 ( -2.152 -5.289 -7.134) 9.138 2.215 ( -2.151 5.289 -7.135) 9.138 2.617 ( -1.936 -3.498 -6.095) 7.290 2.617 ( -1.936 3.498 -6.095) 7.290 2.725 ( 2.324 -5.038 1.028) 5.643 2.725 ( 2.324 5.039 1.028) 5.643 3.272 ( -1.181 -2.665 0.589) 2.973 3.272 ( -1.181 2.665 0.589) 2.974 3.441 ( -2.316 -2.236 -0.389) 3.243 3.441 ( -2.316 2.236 -0.389) 3.243 4.805 ( -0.939 -3.280 -0.995) 3.554 4.805 ( -0.939 3.280 -0.995) 3.554 5.088 ( -0.233 -6.710 7.785) 10.281 5.088 ( -0.233 6.710 7.786) 10.281 5.302 ( -4.103 -4.318 6.786) 9.029 5.302 ( -4.103 4.318 6.786) 9.029 5.553 ( -5.858 -4.208 -0.919) 7.272 5.553 ( -5.858 4.209 -0.919) 7.272 6.824 ( -0.488 -9.260 -1.510) 9.395 6.824 ( -0.488 9.260 -1.510) 9.395 7.059 ( 7.442 -5.574 1.754) 9.462 7.059 ( 7.442 5.574 1.754) 9.462 7.617 ( -0.665 -4.705 0.669) 4.798 7.617 ( -0.665 4.705 0.669) 4.798 7.854 ( -1.769 -0.874 -1.830) 2.691 7.854 ( -1.769 0.874 -1.830) 2.691 8.630 ( -0.184 -3.709 6.144) 7.179 8.630 ( -0.184 3.709 6.144) 7.179 9.314 ( 5.420 -3.191 3.960) 7.432 9.314 ( 5.420 3.191 3.960) 7.432 9.849 ( -0.996 -1.749 -11.114) 11.295 9.849 ( -0.996 1.749 -11.114) 11.295 10.316 ( 0.929 -4.776 -3.743) 6.139 10.316 ( 0.929 4.776 -3.743) 6.139 11.064 ( 4.328 -4.023 1.680) 6.143 11.064 ( 4.327 4.023 1.680) 6.143 11.209 ( 2.548 -3.171 3.973) 5.686 11.209 ( 2.548 3.171 3.973) 5.686 11.560 ( -5.270 -1.011 -2.265) 5.824 11.560 ( -5.270 1.012 -2.265) 5.824 12.306 ( 0.125 -6.441 -0.545) 6.465 12.306 ( 0.125 6.441 -0.545) 6.465 13.312 ( -3.313 -3.845 1.835) 5.397 13.312 ( -3.313 3.845 1.835) 5.397 13.489 ( 1.106 -0.665 0.890) 1.567 13.489 ( 1.106 0.665 0.890) 1.568 15.141 ( 4.377 -1.141 -4.478) 6.365 15.141 ( 4.377 1.141 -4.478) 6.365 15.587 ( -0.833 -8.921 -5.364) 10.443 15.587 ( -0.833 8.921 -5.364) 10.443 16.415 ( 14.479 -19.413 7.140) 25.248 16.415 ( 14.479 19.413 7.140) 25.249 16.859 ( 9.223 -8.739 -0.095) 12.706 16.859 ( 9.223 8.739 -0.095) 12.706 17.828 ( -2.054 -3.952 -5.451) 7.040 17.828 ( -2.054 3.952 -5.451) 7.040 18.189 ( -15.857 -3.360 5.162) 17.012 18.189 ( -15.857 3.360 5.162) 17.012 ======================= Grid point 54 (30/170) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -3.050 -2.127 2.309) 4.377 1.828 ( -3.050 2.127 2.309) 4.377 2.132 ( 0.055 -6.535 -4.452) 7.908 2.132 ( 0.055 6.536 -4.452) 7.908 2.514 ( -2.955 -4.349 -2.372) 5.768 2.514 ( -2.956 4.349 -2.372) 5.768 2.753 ( 0.585 -4.745 0.125) 4.783 2.753 ( 0.585 4.745 0.125) 4.783 3.233 ( -1.445 -3.112 -1.038) 3.585 3.233 ( -1.446 3.112 -1.038) 3.585 3.433 ( 0.038 -3.368 0.565) 3.416 3.433 ( 0.038 3.369 0.565) 3.416 4.796 ( 0.192 -0.997 -0.313) 1.063 4.796 ( 0.192 0.998 -0.313) 1.063 5.127 ( -0.497 -5.424 1.631) 5.685 5.127 ( -0.497 5.424 1.631) 5.685 5.316 ( -1.498 -4.175 3.023) 5.367 5.316 ( -1.498 4.175 3.023) 5.368 5.488 ( -1.937 -2.706 0.474) 3.361 5.488 ( -1.937 2.706 0.474) 3.362 6.809 ( -0.048 -9.360 -0.320) 9.366 6.809 ( -0.048 9.360 -0.320) 9.366 7.182 ( 3.634 -4.641 1.275) 6.031 7.182 ( 3.634 4.641 1.275) 6.031 7.623 ( 0.437 -4.771 0.293) 4.800 7.623 ( 0.437 4.771 0.293) 4.800 7.806 ( -1.655 -1.313 -0.861) 2.281 7.806 ( -1.655 1.313 -0.861) 2.281 8.665 ( -0.734 -1.827 2.121) 2.894 8.665 ( -0.734 1.827 2.121) 2.894 9.465 ( 4.792 -5.760 6.052) 9.632 9.465 ( 4.792 5.760 6.052) 9.632 9.696 ( -2.859 -0.842 -8.784) 9.276 9.696 ( -2.859 0.842 -8.784) 9.276 10.286 ( -0.097 -8.556 -1.853) 8.755 10.286 ( -0.097 8.556 -1.853) 8.755 11.142 ( 2.282 -4.336 1.138) 5.031 11.142 ( 2.282 4.336 1.138) 5.031 11.291 ( 2.252 -2.826 2.356) 4.314 11.291 ( 2.252 2.826 2.356) 4.314 11.460 ( -3.294 -1.748 -1.819) 4.149 11.460 ( -3.294 1.748 -1.819) 4.149 12.296 ( -0.271 -6.572 -0.392) 6.589 12.296 ( -0.271 6.572 -0.392) 6.589 13.276 ( -1.641 -2.913 0.206) 3.349 13.276 ( -1.641 2.913 0.206) 3.349 13.520 ( 0.792 -0.686 0.732) 1.278 13.520 ( 0.792 0.686 0.732) 1.278 15.161 ( 1.829 -1.493 -1.519) 2.807 15.161 ( 1.829 1.493 -1.519) 2.807 15.521 ( -0.949 -7.288 -2.259) 7.689 15.521 ( -0.949 7.288 -2.259) 7.689 16.679 ( 6.824 -20.321 3.893) 21.787 16.679 ( 6.825 20.321 3.893) 21.787 17.007 ( 6.954 -7.233 0.882) 10.073 17.007 ( 6.954 7.234 0.882) 10.073 17.655 ( -6.784 -12.289 -5.651) 15.132 17.655 ( -6.784 12.289 -5.651) 15.132 18.081 ( -4.426 -13.424 3.574) 14.579 18.081 ( -4.426 13.424 3.574) 14.579 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -25.496 0.000 22.869) 34.249 0.629 ( -4.173 0.000 29.463) 29.757 1.080 ( 11.685 0.000 47.351) 48.771 2.263 ( 10.396 0.000 -4.535) 11.342 2.594 ( 8.375 0.000 -8.539) 11.960 2.787 ( 0.148 0.000 -13.547) 13.548 2.945 ( -0.925 0.000 3.739) 3.852 3.187 ( -2.358 0.000 -0.976) 2.552 3.355 ( 2.424 0.000 -3.047) 3.894 3.610 ( -2.719 0.000 -0.260) 2.732 3.732 ( 0.318 0.000 -2.212) 2.235 4.390 ( -0.736 0.000 -8.480) 8.512 4.466 ( -4.232 0.000 6.949) 8.136 4.608 ( -2.085 0.000 3.918) 4.439 4.795 ( -0.733 0.000 3.203) 3.286 4.862 ( 0.235 0.000 12.243) 12.245 4.926 ( -1.518 0.000 7.361) 7.516 5.613 ( 0.272 0.000 -1.884) 1.904 6.200 ( -1.044 0.000 -1.100) 1.516 6.634 ( 2.184 0.000 -7.213) 7.536 6.967 ( -0.182 0.000 -3.475) 3.479 7.235 ( 6.167 0.000 -5.838) 8.492 7.241 ( -3.586 0.000 -3.995) 5.368 7.538 ( -2.801 0.000 -5.279) 5.976 7.626 ( -2.718 0.000 -0.575) 2.779 7.890 ( 1.768 0.000 0.252) 1.786 8.003 ( 3.920 0.000 -12.985) 13.564 8.188 ( -4.852 0.000 -2.584) 5.497 8.376 ( 4.638 0.000 6.165) 7.715 8.663 ( -3.737 0.000 1.593) 4.062 9.043 ( 4.130 0.000 9.856) 10.686 9.052 ( 3.654 0.000 24.205) 24.479 9.459 ( 1.103 0.000 1.856) 2.159 9.848 ( 3.722 0.000 1.718) 4.099 10.041 ( -7.034 0.000 -2.700) 7.535 10.328 ( 1.869 0.000 -13.936) 14.060 10.594 ( 6.000 0.000 4.349) 7.410 10.596 ( -2.975 0.000 -6.405) 7.062 10.745 ( -3.357 0.000 4.010) 5.230 10.917 ( -1.585 0.000 -3.450) 3.797 11.836 ( -1.444 0.000 -1.365) 1.987 12.075 ( 3.512 0.000 12.100) 12.599 12.497 ( -5.814 0.000 -8.157) 10.017 12.520 ( 0.491 0.000 5.065) 5.088 12.768 ( 2.364 0.000 -0.511) 2.418 13.036 ( 1.365 0.000 -3.829) 4.065 13.581 ( -4.688 0.000 1.243) 4.850 13.782 ( 7.470 0.000 1.409) 7.602 14.170 ( -12.627 0.000 2.704) 12.913 15.024 ( 3.519 0.000 7.998) 8.738 15.410 ( 5.674 0.000 -10.097) 11.582 15.869 ( 2.063 0.000 3.432) 4.004 16.154 ( -3.835 0.000 -0.235) 3.842 16.441 ( -1.044 0.000 4.453) 4.574 16.628 ( 0.664 0.000 -22.787) 22.797 16.712 ( -1.226 0.000 0.795) 1.461 16.897 ( -0.037 0.000 -1.443) 1.443 17.150 ( 1.385 0.000 -4.175) 4.398 18.376 ( 0.416 0.000 19.921) 19.926 19.714 ( -0.019 0.000 -6.182) 6.182 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 15.846 0.000 10.232) 18.862 0.996 ( 8.270 0.000 25.829) 27.120 1.808 ( 16.812 0.000 32.471) 36.565 2.358 ( 9.529 0.000 -13.675) 16.668 2.619 ( 0.310 0.000 -17.134) 17.137 2.678 ( 4.653 0.000 4.301) 6.336 2.958 ( -3.406 0.000 6.551) 7.383 3.095 ( -5.930 0.000 -1.099) 6.031 3.304 ( -5.172 0.000 -4.845) 7.087 3.469 ( -6.907 0.000 -3.687) 7.830 3.734 ( -1.176 0.000 2.968) 3.192 4.246 ( -3.668 0.000 -10.084) 10.731 4.465 ( -1.932 0.000 1.801) 2.641 4.631 ( 2.433 0.000 -0.279) 2.449 4.829 ( -2.399 0.000 6.973) 7.374 5.022 ( 1.309 0.000 10.729) 10.809 5.026 ( 0.859 0.000 13.986) 14.012 5.608 ( 1.818 0.000 -2.023) 2.720 6.075 ( -10.292 0.000 -1.571) 10.411 6.529 ( -5.162 0.000 -6.511) 8.309 6.884 ( -2.627 0.000 -7.622) 8.062 7.098 ( -7.672 0.000 -8.320) 11.318 7.117 ( -6.293 0.000 -1.042) 6.378 7.566 ( 7.130 0.000 0.636) 7.159 7.663 ( 7.408 0.000 -1.196) 7.504 7.813 ( -3.197 0.000 -4.398) 5.438 8.088 ( -3.284 0.000 -3.257) 4.625 8.110 ( 12.375 0.000 -3.552) 12.875 8.536 ( 4.886 0.000 6.559) 8.179 8.632 ( -0.207 0.000 -0.923) 0.946 9.252 ( 4.712 0.000 11.895) 12.794 9.334 ( 1.132 0.000 16.053) 16.093 9.532 ( 4.027 0.000 2.717) 4.858 9.852 ( -10.157 0.000 -1.890) 10.331 9.932 ( -0.064 0.000 1.704) 1.705 10.180 ( 1.432 0.000 -12.821) 12.901 10.501 ( -0.162 0.000 -2.649) 2.654 10.726 ( 2.211 0.000 1.345) 2.588 10.752 ( 0.982 0.000 -1.003) 1.404 10.879 ( 3.500 0.000 -0.620) 3.554 11.853 ( 1.581 0.000 5.431) 5.656 12.240 ( -9.986 0.000 -12.824) 16.254 12.262 ( 2.997 0.000 11.487) 11.872 12.560 ( -2.629 0.000 4.893) 5.555 12.765 ( -0.996 0.000 -1.220) 1.575 12.978 ( -2.883 0.000 -5.144) 5.897 13.516 ( -2.692 0.000 -1.411) 3.040 13.965 ( 5.697 0.000 9.907) 11.428 14.028 ( -2.838 0.000 -2.914) 4.067 15.190 ( 3.492 0.000 8.727) 9.400 15.358 ( 1.065 0.000 -8.807) 8.871 15.978 ( 4.101 0.000 6.155) 7.396 16.057 ( -2.762 0.000 -7.442) 7.938 16.326 ( -1.219 0.000 -18.844) 18.884 16.499 ( -3.487 0.000 7.442) 8.219 16.698 ( -0.997 0.000 0.609) 1.168 16.993 ( 13.124 0.000 -6.332) 14.572 17.138 ( 3.138 0.000 -3.951) 5.046 18.608 ( -0.910 0.000 21.400) 21.419 19.598 ( -3.282 0.000 -9.180) 9.749 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 21.782 0.000 1.246) 21.818 1.445 ( 12.754 0.000 21.800) 25.257 2.172 ( -5.628 0.000 1.052) 5.725 2.274 ( -2.040 0.000 -9.656) 9.870 2.450 ( 8.161 0.000 -14.901) 16.990 2.702 ( -2.864 0.000 -3.579) 4.584 2.940 ( -5.377 0.000 -1.743) 5.652 3.110 ( 0.673 0.000 13.810) 13.826 3.137 ( -8.198 0.000 1.571) 8.348 3.349 ( -4.317 0.000 -4.402) 6.166 3.753 ( -2.694 0.000 6.164) 6.727 4.035 ( -7.438 0.000 -11.240) 13.478 4.473 ( 2.847 0.000 1.466) 3.203 4.705 ( 8.503 0.000 -1.690) 8.669 4.897 ( -1.354 0.000 11.660) 11.739 5.173 ( -0.270 0.000 9.905) 9.909 5.204 ( 4.666 0.000 11.740) 12.633 5.623 ( 1.904 0.000 -1.565) 2.464 5.882 ( -9.347 0.000 -1.488) 9.464 6.328 ( -10.647 0.000 -4.836) 11.694 6.735 ( -2.336 0.000 -9.395) 9.681 6.922 ( -3.262 0.000 -6.304) 7.098 7.032 ( -5.484 0.000 3.347) 6.425 7.646 ( -0.053 0.000 -6.685) 6.685 7.745 ( -1.597 0.000 7.510) 7.678 7.762 ( 2.412 0.000 -2.311) 3.341 8.031 ( 2.313 0.000 -0.870) 2.471 8.273 ( 10.570 0.000 -1.867) 10.734 8.637 ( 4.186 0.000 -4.602) 6.221 8.660 ( 1.916 0.000 4.504) 4.895 9.386 ( -4.136 0.000 6.593) 7.783 9.441 ( -1.863 0.000 5.084) 5.415 9.625 ( 3.513 0.000 0.974) 3.646 9.755 ( 0.023 0.000 4.569) 4.569 9.760 ( -10.072 0.000 -11.591) 15.355 10.165 ( 3.314 0.000 -1.916) 3.828 10.549 ( 3.704 0.000 3.179) 4.881 10.733 ( 2.799 0.000 -1.076) 2.998 10.764 ( 4.380 0.000 -3.172) 5.408 11.015 ( 7.641 0.000 3.652) 8.469 11.905 ( -11.643 0.000 -13.243) 17.633 11.981 ( 1.529 0.000 9.419) 9.542 12.454 ( 3.374 0.000 12.634) 13.077 12.553 ( -1.621 0.000 3.089) 3.488 12.711 ( -5.033 0.000 -0.323) 5.043 12.838 ( -3.617 0.000 -7.900) 8.689 13.456 ( -1.577 0.000 -3.335) 3.689 13.941 ( -6.055 0.000 3.631) 7.060 14.250 ( 14.706 0.000 6.104) 15.922 15.268 ( -1.593 0.000 -5.206) 5.444 15.310 ( 0.381 0.000 6.931) 6.941 15.898 ( 1.669 0.000 -17.601) 17.680 16.088 ( -0.450 0.000 4.516) 4.538 16.151 ( -1.164 0.000 -9.520) 9.591 16.529 ( -4.275 0.000 8.657) 9.655 16.707 ( 0.837 0.000 1.073) 1.361 17.148 ( 14.966 0.000 -8.519) 17.221 17.200 ( 8.641 0.000 -0.342) 8.648 18.816 ( -2.134 0.000 19.354) 19.471 19.410 ( -4.985 0.000 -11.252) 12.307 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 7.561 0.000 -5.194) 9.173 1.874 ( -9.092 0.000 -11.109) 14.355 1.875 ( 9.678 0.000 15.755) 18.490 2.142 ( -2.606 0.000 -0.577) 2.669 2.483 ( 11.194 0.000 -14.310) 18.168 2.581 ( -2.543 0.000 -7.815) 8.218 2.825 ( -7.380 0.000 1.772) 7.589 3.025 ( -11.525 0.000 3.351) 12.002 3.203 ( -5.097 0.000 -6.053) 7.913 3.236 ( -2.727 0.000 8.945) 9.351 3.746 ( -11.295 0.000 -12.039) 16.508 3.784 ( -3.448 0.000 8.158) 8.857 4.633 ( 10.733 0.000 5.038) 11.856 4.876 ( 12.862 0.000 -0.700) 12.881 5.051 ( 3.905 0.000 11.129) 11.794 5.233 ( -1.022 0.000 2.935) 3.107 5.425 ( 5.342 0.000 11.653) 12.819 5.596 ( -5.448 0.000 0.993) 5.538 5.778 ( 2.801 0.000 -6.185) 6.790 6.083 ( -12.184 0.000 -4.382) 12.948 6.621 ( -0.955 0.000 -5.698) 5.778 6.821 ( -2.300 0.000 -4.573) 5.119 7.011 ( -4.173 0.000 6.814) 7.991 7.497 ( -6.488 0.000 -5.550) 8.538 7.645 ( -8.255 0.000 -4.841) 9.570 7.836 ( -0.347 0.000 7.460) 7.468 8.173 ( 10.005 0.000 3.085) 10.470 8.428 ( 9.134 0.000 0.969) 9.185 8.648 ( 5.364 0.000 -8.278) 9.864 8.694 ( -2.077 0.000 1.996) 2.881 9.290 ( -10.757 0.000 2.354) 11.012 9.409 ( -3.541 0.000 -8.160) 8.895 9.449 ( -11.627 0.000 -2.522) 11.898 9.673 ( 2.782 0.000 0.251) 2.793 9.912 ( 7.720 0.000 6.050) 9.808 10.204 ( 2.839 0.000 -0.247) 2.849 10.625 ( 4.921 0.000 -2.895) 5.710 10.839 ( 7.195 0.000 4.174) 8.318 10.842 ( 4.828 0.000 2.229) 5.318 11.168 ( 7.754 0.000 -1.849) 7.972 11.594 ( -10.133 0.000 -6.806) 12.207 12.061 ( -2.657 0.000 6.327) 6.862 12.478 ( -6.000 0.000 3.845) 7.126 12.562 ( -10.823 0.000 -1.583) 10.938 12.736 ( 1.941 0.000 -8.004) 8.236 12.777 ( 11.493 0.000 11.863) 16.517 13.387 ( -1.976 0.000 -3.216) 3.775 13.882 ( -4.543 0.000 0.869) 4.626 14.582 ( 14.747 0.000 8.369) 16.956 15.199 ( -1.956 0.000 -2.078) 2.854 15.379 ( -1.150 0.000 7.513) 7.600 15.760 ( 5.925 0.000 -16.369) 17.409 16.037 ( -8.106 0.000 -0.004) 8.106 16.044 ( -1.468 0.000 -6.078) 6.253 16.547 ( -5.016 0.000 8.077) 9.508 16.722 ( 0.369 0.000 -0.883) 0.957 17.287 ( 13.266 0.000 -8.739) 15.886 17.425 ( 13.454 0.000 5.099) 14.388 18.964 ( -3.488 0.000 14.840) 15.245 19.197 ( -4.230 0.000 -11.777) 12.513 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -2.258 0.000 2.449) 3.331 1.725 ( -0.158 0.000 -9.969) 9.971 1.915 ( -7.752 0.000 1.729) 7.943 2.339 ( 8.860 0.000 3.996) 9.720 2.496 ( 3.171 0.000 -1.054) 3.341 2.509 ( 10.659 0.000 -12.267) 16.251 2.763 ( -3.642 0.000 5.376) 6.493 2.874 ( -8.259 0.000 3.264) 8.881 3.061 ( -3.943 0.000 -5.649) 6.888 3.226 ( -7.007 0.000 4.088) 8.112 3.407 ( -12.514 0.000 -10.125) 16.097 3.811 ( -4.647 0.000 8.022) 9.271 4.868 ( 10.895 0.000 2.039) 11.084 5.060 ( 8.582 0.000 -2.417) 8.916 5.225 ( 2.483 0.000 -4.068) 4.766 5.238 ( 5.983 0.000 5.035) 7.820 5.511 ( -6.675 0.000 3.707) 7.635 5.599 ( 1.465 0.000 5.650) 5.837 5.800 ( 8.768 0.000 -8.809) 12.429 5.840 ( -10.004 0.000 -4.423) 10.938 6.573 ( -0.431 0.000 -0.594) 0.734 6.738 ( -3.130 0.000 -0.908) 3.259 7.027 ( -4.057 0.000 6.900) 8.004 7.342 ( -6.293 0.000 -2.128) 6.643 7.459 ( -6.977 0.000 -3.328) 7.730 7.890 ( -0.065 0.000 2.848) 2.849 8.366 ( 7.451 0.000 3.922) 8.420 8.569 ( 4.487 0.000 -3.837) 5.904 8.647 ( -4.186 0.000 -0.508) 4.217 8.658 ( 7.576 0.000 -1.324) 7.691 9.138 ( -7.969 0.000 0.306) 7.974 9.139 ( -9.450 0.000 -7.860) 12.291 9.383 ( -2.510 0.000 1.454) 2.901 9.745 ( 2.451 0.000 4.327) 4.972 10.078 ( 5.378 0.000 2.679) 6.008 10.247 ( 1.994 0.000 0.385) 2.030 10.662 ( 5.956 0.000 -6.433) 8.767 10.949 ( 2.521 0.000 5.477) 6.030 11.032 ( 6.671 0.000 8.460) 10.773 11.131 ( -0.689 0.000 -13.864) 13.881 11.519 ( 1.070 0.000 5.116) 5.227 12.053 ( -3.624 0.000 2.344) 4.316 12.352 ( -8.979 0.000 -5.269) 10.411 12.415 ( -5.111 0.000 1.843) 5.433 12.701 ( 2.811 0.000 -5.280) 5.982 13.066 ( 7.700 0.000 7.775) 10.942 13.338 ( -1.197 0.000 0.215) 1.216 13.804 ( -3.696 0.000 -2.219) 4.311 14.901 ( 11.052 0.000 8.532) 13.962 15.146 ( -1.374 0.000 -2.616) 2.955 15.464 ( 0.162 0.000 9.957) 9.958 15.752 ( 8.865 0.000 -6.509) 10.998 15.847 ( -12.331 0.000 -2.507) 12.584 15.964 ( -0.820 0.000 -4.428) 4.503 16.541 ( -5.535 0.000 6.360) 8.431 16.708 ( 0.355 0.000 -2.149) 2.178 17.394 ( 10.632 0.000 -7.350) 12.925 17.683 ( 8.937 0.000 4.460) 9.988 19.027 ( -5.285 0.000 8.883) 10.337 19.031 ( -0.271 0.000 -9.690) 9.693 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -2.425 0.000 15.049) 15.243 1.659 ( 10.093 0.000 -1.569) 10.214 1.788 ( -7.947 0.000 -0.492) 7.962 2.374 ( 7.240 0.000 -8.789) 11.387 2.575 ( 11.439 0.000 -8.458) 14.226 2.599 ( -1.718 0.000 5.948) 6.191 2.783 ( -7.964 0.000 -0.793) 8.004 2.792 ( -8.232 0.000 0.297) 8.237 2.999 ( 3.201 0.000 -1.123) 3.392 3.055 ( -2.961 0.000 -3.298) 4.433 3.315 ( 2.448 0.000 9.060) 9.385 3.802 ( -6.133 0.000 6.072) 8.630 4.982 ( 3.667 0.000 -6.607) 7.556 5.044 ( 0.860 0.000 -10.376) 10.412 5.275 ( 5.823 0.000 -3.727) 6.914 5.314 ( -0.207 0.000 -1.982) 1.993 5.459 ( -4.518 0.000 3.485) 5.706 5.548 ( -6.355 0.000 -2.942) 7.003 5.697 ( -1.541 0.000 -4.433) 4.693 5.840 ( 7.233 0.000 -8.970) 11.523 6.599 ( 0.801 0.000 4.795) 4.861 6.731 ( -0.715 0.000 5.176) 5.225 7.023 ( -3.570 0.000 4.762) 5.952 7.260 ( -1.806 0.000 0.438) 1.859 7.365 ( -1.672 0.000 -0.592) 1.773 7.888 ( -1.129 0.000 -2.342) 2.599 8.485 ( 1.392 0.000 3.241) 3.528 8.528 ( 2.967 0.000 -9.085) 9.557 8.563 ( -2.611 0.000 -2.802) 3.830 8.842 ( 5.065 0.000 8.481) 9.878 8.967 ( -1.238 0.000 -3.740) 3.939 9.063 ( -2.432 0.000 2.235) 3.303 9.390 ( -0.273 0.000 3.715) 3.725 9.821 ( -1.239 0.000 5.633) 5.768 10.141 ( 0.614 0.000 -0.567) 0.836 10.276 ( 0.777 0.000 0.558) 0.956 10.672 ( 4.025 0.000 -6.835) 7.931 10.958 ( -1.573 0.000 -10.779) 10.894 11.049 ( 0.634 0.000 7.722) 7.748 11.246 ( 5.916 0.000 10.930) 12.428 11.577 ( -1.557 0.000 0.725) 1.718 12.004 ( -2.859 0.000 -1.255) 3.122 12.182 ( -1.489 0.000 -6.890) 7.049 12.354 ( -3.284 0.000 -0.343) 3.302 12.718 ( 4.201 0.000 -1.573) 4.485 13.149 ( -2.767 0.000 -1.681) 3.238 13.360 ( 0.523 0.000 4.413) 4.444 13.734 ( -0.498 0.000 -2.954) 2.995 15.102 ( 0.555 0.000 -3.160) 3.209 15.108 ( 1.575 0.000 8.139) 8.290 15.589 ( -8.903 0.000 -1.877) 9.099 15.627 ( 0.268 0.000 9.577) 9.580 15.890 ( 8.638 0.000 3.555) 9.341 15.927 ( 1.418 0.000 -2.501) 2.875 16.508 ( -5.669 0.000 4.510) 7.244 16.695 ( 1.099 0.000 -2.126) 2.394 17.482 ( 8.405 0.000 -4.884) 9.721 17.772 ( -0.714 0.000 -1.626) 1.776 18.983 ( -7.661 0.000 2.421) 8.034 18.996 ( 5.754 0.000 -4.296) 7.181 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.519 0.000 12.127) 12.139 1.669 ( -1.857 0.000 -4.411) 4.786 2.044 ( 15.964 0.000 15.952) 22.568 2.386 ( -16.270 0.000 -6.639) 17.572 2.469 ( 7.116 0.000 -5.338) 8.895 2.599 ( -6.756 0.000 -6.901) 9.658 2.674 ( -0.092 0.000 3.064) 3.066 2.698 ( 11.696 0.000 -4.060) 12.381 3.070 ( 0.213 0.000 0.896) 0.921 3.098 ( 5.954 0.000 2.329) 6.393 3.593 ( 12.053 0.000 13.317) 17.961 3.747 ( -6.693 0.000 3.414) 7.514 4.836 ( -3.228 0.000 -16.013) 16.335 4.917 ( 1.271 0.000 -14.725) 14.780 5.117 ( -15.994 0.000 -6.232) 17.165 5.248 ( -3.187 0.000 -3.898) 5.035 5.436 ( -3.737 0.000 -3.829) 5.351 5.467 ( 1.537 0.000 1.679) 2.276 5.714 ( 7.871 0.000 -1.337) 7.984 5.824 ( 2.345 0.000 -7.679) 8.029 6.700 ( 2.302 0.000 7.746) 8.081 6.796 ( 1.655 0.000 3.946) 4.279 7.040 ( -2.154 0.000 6.908) 7.236 7.292 ( 3.777 0.000 1.145) 3.947 7.386 ( 5.207 0.000 -0.696) 5.253 7.797 ( -2.922 0.000 -6.513) 7.139 8.433 ( -7.184 0.000 -0.929) 7.243 8.486 ( 1.653 0.000 -5.385) 5.633 8.566 ( 3.382 0.000 -0.368) 3.402 8.885 ( 0.917 0.000 -0.694) 1.150 9.096 ( 1.169 0.000 4.491) 4.640 9.123 ( 8.535 0.000 9.610) 12.853 9.443 ( 1.139 0.000 3.773) 3.941 9.815 ( -4.799 0.000 2.368) 5.352 10.079 ( -5.460 0.000 -3.339) 6.400 10.289 ( -0.125 0.000 1.264) 1.270 10.640 ( 0.829 0.000 -5.845) 5.903 10.854 ( 0.216 0.000 -5.856) 5.860 11.141 ( -2.059 0.000 10.214) 10.419 11.447 ( -9.807 0.000 -4.033) 10.604 11.489 ( 7.087 0.000 12.633) 14.485 11.933 ( -1.668 0.000 -4.708) 4.995 12.177 ( 8.226 0.000 -5.113) 9.686 12.294 ( -1.184 0.000 -3.904) 4.080 12.803 ( 5.072 0.000 2.260) 5.553 12.965 ( -11.052 0.000 -7.494) 13.353 13.441 ( 1.535 0.000 5.920) 6.116 13.711 ( 1.516 0.000 -3.739) 4.035 15.089 ( -12.646 0.000 3.738) 13.187 15.107 ( 2.992 0.000 -0.781) 3.093 15.422 ( -5.995 0.000 2.503) 6.497 15.817 ( 5.834 0.000 7.883) 9.807 15.959 ( 4.741 0.000 -1.039) 4.853 16.075 ( 5.107 0.000 6.750) 8.465 16.470 ( -4.653 0.000 5.113) 6.913 16.695 ( 1.358 0.000 -1.801) 2.256 17.568 ( 6.416 0.000 -1.488) 6.586 17.641 ( -7.719 0.000 -7.336) 10.648 18.825 ( -10.362 0.000 -3.945) 11.087 19.110 ( 9.455 0.000 0.716) 9.482 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -3.605 0.000 6.620) 7.538 1.619 ( -1.441 0.000 -6.701) 6.854 2.012 ( -9.703 0.000 -6.668) 11.773 2.338 ( -3.107 0.000 17.494) 17.768 2.512 ( 8.703 0.000 -10.903) 13.950 2.618 ( 10.906 0.000 -2.089) 11.104 2.727 ( 1.753 0.000 2.426) 2.993 2.871 ( 11.090 0.000 0.942) 11.130 3.042 ( -2.924 0.000 -1.545) 3.307 3.218 ( 4.966 0.000 1.975) 5.344 3.667 ( -4.655 0.000 0.164) 4.658 3.939 ( 11.539 0.000 11.842) 16.534 4.611 ( -0.506 0.000 -14.166) 14.175 4.754 ( 2.408 0.000 -19.085) 19.237 4.791 ( -15.626 0.000 -0.483) 15.634 5.140 ( -7.503 0.000 1.582) 7.668 5.288 ( -8.350 0.000 -3.903) 9.217 5.515 ( 4.056 0.000 -1.233) 4.240 5.768 ( -0.138 0.000 -4.382) 4.384 5.887 ( 13.861 0.000 -1.559) 13.948 6.836 ( 4.025 0.000 6.428) 7.584 6.875 ( 4.011 0.000 2.033) 4.497 7.098 ( -3.565 0.000 11.570) 12.107 7.360 ( 4.848 0.000 -4.563) 6.657 7.522 ( 12.093 0.000 -1.629) 12.202 7.693 ( -0.334 0.000 -4.396) 4.409 8.273 ( -9.318 0.000 -2.095) 9.551 8.461 ( 0.233 0.000 -1.482) 1.500 8.626 ( 2.588 0.000 1.387) 2.936 8.899 ( 1.060 0.000 -1.151) 1.565 9.189 ( 3.256 0.000 4.693) 5.712 9.294 ( -1.173 0.000 2.797) 3.033 9.552 ( 8.297 0.000 5.282) 9.836 9.698 ( -7.250 0.000 -6.589) 9.796 9.926 ( -8.141 0.000 -0.302) 8.147 10.309 ( 0.041 0.000 2.766) 2.766 10.575 ( -1.697 0.000 -3.656) 4.030 10.808 ( -0.444 0.000 -3.106) 3.138 11.198 ( -6.482 0.000 11.765) 13.433 11.212 ( -11.078 0.000 -3.768) 11.701 11.784 ( 10.533 0.000 12.837) 16.605 11.843 ( -1.075 0.000 -7.033) 7.115 12.220 ( 0.727 0.000 -8.460) 8.492 12.301 ( 11.532 0.000 -3.381) 12.017 12.682 ( -11.691 0.000 -6.253) 13.258 12.921 ( 3.707 0.000 4.963) 6.195 13.527 ( 1.215 0.000 4.743) 4.897 13.688 ( 1.726 0.000 -4.952) 5.244 14.859 ( -16.789 0.000 2.924) 17.042 15.182 ( 4.617 0.000 2.232) 5.128 15.386 ( -5.595 0.000 4.686) 7.298 15.960 ( 3.123 0.000 2.772) 4.176 16.050 ( 8.177 0.000 -2.810) 8.647 16.176 ( -0.004 0.000 4.047) 4.047 16.493 ( -2.257 0.000 9.147) 9.422 16.691 ( 0.374 0.000 -1.618) 1.660 17.405 ( -8.294 0.000 -7.975) 11.506 17.663 ( 3.261 0.000 4.027) 5.182 18.552 ( -12.492 0.000 -10.359) 16.229 19.299 ( 10.376 0.000 2.711) 10.724 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -22.426 0.000 -4.504) 22.874 1.380 ( -20.620 0.000 -6.776) 21.705 2.067 ( 18.966 0.000 -6.635) 20.093 2.238 ( -23.924 0.000 -4.091) 24.271 2.672 ( -0.225 0.000 -12.508) 12.510 2.674 ( 14.248 0.000 7.134) 15.934 2.771 ( 2.085 0.000 3.790) 4.326 3.013 ( 1.660 0.000 2.225) 2.776 3.087 ( 11.075 0.000 4.800) 12.071 3.289 ( 3.403 0.000 -2.097) 3.997 3.628 ( 1.362 0.000 -1.361) 1.925 4.229 ( 8.696 0.000 9.250) 12.696 4.519 ( -1.292 0.000 -4.452) 4.636 4.591 ( 2.984 0.000 -16.506) 16.774 4.662 ( -1.406 0.000 6.311) 6.466 5.029 ( -10.546 0.000 4.731) 11.558 5.094 ( -9.745 0.000 -2.658) 10.101 5.600 ( 7.875 0.000 -1.233) 7.971 5.737 ( 1.216 0.000 -1.317) 1.792 6.127 ( 16.961 0.000 -1.764) 17.052 6.955 ( 3.904 0.000 1.716) 4.265 6.977 ( 5.500 0.000 1.463) 5.692 7.188 ( -2.626 0.000 13.645) 13.896 7.343 ( 5.488 0.000 -10.243) 11.621 7.706 ( 9.672 0.000 -0.854) 9.710 7.709 ( 4.044 0.000 -0.301) 4.055 8.110 ( -6.712 0.000 -0.838) 6.764 8.467 ( -0.337 0.000 3.173) 3.190 8.665 ( -1.736 0.000 3.429) 3.843 8.873 ( -1.990 0.000 -2.499) 3.195 9.156 ( -11.433 0.000 -6.044) 12.932 9.227 ( -4.656 0.000 -4.987) 6.822 9.517 ( 0.489 0.000 -5.034) 5.057 9.756 ( 7.631 0.000 2.199) 7.941 9.822 ( -6.452 0.000 3.615) 7.395 10.356 ( 2.378 0.000 1.739) 2.946 10.529 ( -1.596 0.000 1.783) 2.393 10.752 ( -1.620 0.000 -4.445) 4.731 11.033 ( -7.170 0.000 -0.035) 7.170 11.174 ( -11.038 0.000 9.456) 14.535 11.748 ( -0.863 0.000 -5.952) 6.014 12.112 ( 11.922 0.000 11.295) 16.423 12.138 ( 1.174 0.000 -8.740) 8.819 12.461 ( 11.298 0.000 -2.992) 11.688 12.475 ( -5.761 0.000 -4.190) 7.124 13.024 ( 1.248 0.000 5.503) 5.642 13.584 ( 0.278 0.000 3.333) 3.344 13.663 ( 2.193 0.000 -5.099) 5.550 14.639 ( -15.765 0.000 6.887) 17.204 15.289 ( 4.610 0.000 2.053) 5.047 15.301 ( -9.093 0.000 0.946) 9.142 15.964 ( -1.890 0.000 -3.285) 3.790 16.130 ( 6.825 0.000 -6.313) 9.297 16.230 ( 1.610 0.000 5.212) 5.455 16.570 ( -0.581 0.000 7.531) 7.553 16.683 ( 0.167 0.000 0.439) 0.470 17.234 ( -3.348 0.000 -4.505) 5.613 17.756 ( -5.474 0.000 13.830) 14.874 18.193 ( -9.602 0.000 -18.335) 20.697 19.498 ( 9.569 0.000 2.276) 9.836 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -25.488 0.000 -10.185) 27.448 0.890 ( -26.040 0.000 2.914) 26.203 1.635 ( -41.730 0.000 0.627) 41.735 2.315 ( 19.284 0.000 -13.877) 23.758 2.454 ( -5.322 0.000 -7.625) 9.299 2.845 ( 3.466 0.000 0.593) 3.517 2.913 ( 4.665 0.000 3.442) 5.797 3.104 ( 4.745 0.000 1.627) 5.016 3.300 ( 5.402 0.000 -6.286) 8.289 3.344 ( 11.567 0.000 4.812) 12.528 3.671 ( 4.351 0.000 -0.482) 4.378 4.422 ( 5.631 0.000 1.007) 5.720 4.463 ( -3.327 0.000 2.670) 4.265 4.514 ( 2.062 0.000 -1.474) 2.535 4.793 ( 3.846 0.000 7.751) 8.653 4.894 ( -10.869 0.000 3.648) 11.465 4.929 ( -7.908 0.000 0.435) 7.920 5.657 ( 0.045 0.000 -0.820) 0.821 5.867 ( 13.620 0.000 1.247) 13.677 6.397 ( 17.128 0.000 -2.150) 17.262 6.998 ( 1.407 0.000 -1.244) 1.878 7.059 ( 6.543 0.000 -4.992) 8.230 7.294 ( -0.285 0.000 7.129) 7.135 7.399 ( 10.644 0.000 -2.594) 10.955 7.769 ( -3.413 0.000 3.447) 4.851 7.773 ( 4.559 0.000 -2.243) 5.081 8.085 ( 2.968 0.000 1.645) 3.393 8.531 ( -1.592 0.000 10.806) 10.923 8.614 ( -9.852 0.000 2.151) 10.084 8.742 ( -5.224 0.000 -17.558) 18.319 8.856 ( -15.332 0.000 3.190) 15.660 8.995 ( -5.180 0.000 -10.088) 11.340 9.518 ( -1.794 0.000 -1.345) 2.242 9.831 ( 2.098 0.000 -1.158) 2.397 9.865 ( 5.230 0.000 7.371) 9.037 10.410 ( 4.753 0.000 -3.755) 6.058 10.572 ( 0.712 0.000 5.926) 5.968 10.648 ( -3.322 0.000 -6.159) 6.998 10.972 ( -2.379 0.000 2.035) 3.131 11.047 ( -13.237 0.000 4.284) 13.913 11.700 ( 1.925 0.000 -4.883) 5.249 12.041 ( -3.504 0.000 -6.116) 7.049 12.401 ( 1.509 0.000 -2.572) 2.982 12.415 ( 10.210 0.000 8.616) 13.360 12.591 ( 8.909 0.000 -4.141) 9.824 13.073 ( -0.985 0.000 2.455) 2.646 13.617 ( -0.836 0.000 3.473) 3.572 13.651 ( 3.143 0.000 -4.466) 5.461 14.488 ( -14.808 0.000 10.412) 18.102 15.108 ( -10.411 0.000 -4.099) 11.189 15.366 ( 4.941 0.000 -2.556) 5.563 15.877 ( -2.295 0.000 -3.692) 4.347 16.164 ( 3.299 0.000 -1.791) 3.753 16.322 ( 2.997 0.000 3.175) 4.366 16.637 ( 3.189 0.000 0.560) 3.238 16.714 ( 0.984 0.000 2.738) 2.910 17.177 ( 0.107 0.000 -1.738) 1.741 17.617 ( -25.317 0.000 2.750) 25.466 18.013 ( 6.089 0.000 -3.153) 6.857 19.655 ( 7.262 0.000 0.158) 7.264 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -15.182 0.000 26.756) 30.763 0.576 ( -23.153 0.000 18.682) 29.750 0.974 ( -45.995 0.000 16.371) 48.822 2.233 ( 0.689 0.000 -8.351) 8.379 2.530 ( 14.092 0.000 -11.324) 18.078 2.903 ( 2.333 0.000 1.220) 2.633 2.912 ( -0.774 0.000 -6.754) 6.799 3.183 ( 2.793 0.000 0.516) 2.840 3.328 ( 5.072 0.000 -4.238) 6.610 3.548 ( 6.922 0.000 2.774) 7.457 3.734 ( 3.370 0.000 -1.489) 3.684 4.444 ( 2.776 0.000 -4.898) 5.630 4.457 ( -4.649 0.000 7.181) 8.555 4.596 ( -1.534 0.000 7.224) 7.385 4.788 ( -5.471 0.000 5.278) 7.602 4.825 ( -5.043 0.000 -1.658) 5.309 4.882 ( -0.661 0.000 4.000) 4.054 5.636 ( -0.718 0.000 -1.197) 1.396 6.108 ( 11.177 0.000 1.134) 11.234 6.598 ( 10.708 0.000 -4.698) 11.693 6.992 ( 0.695 0.000 -2.419) 2.517 7.129 ( 11.582 0.000 -7.546) 13.823 7.310 ( -0.750 0.000 -2.072) 2.204 7.562 ( 6.332 0.000 0.945) 6.402 7.716 ( -8.335 0.000 4.718) 9.577 7.809 ( 5.529 0.000 -4.005) 6.827 8.189 ( 3.493 0.000 5.327) 6.370 8.304 ( -14.621 0.000 -16.294) 21.893 8.402 ( -9.903 0.000 -4.575) 10.909 8.694 ( 0.513 0.000 5.764) 5.786 8.771 ( -4.965 0.000 16.118) 16.866 8.926 ( 1.091 0.000 2.128) 2.392 9.460 ( -2.407 0.000 -0.092) 2.409 9.815 ( 0.968 0.000 -4.068) 4.182 10.054 ( 5.159 0.000 4.611) 6.920 10.411 ( 3.706 0.000 -9.261) 9.975 10.538 ( -1.552 0.000 -3.031) 3.405 10.643 ( 1.287 0.000 0.711) 1.470 10.854 ( -12.365 0.000 1.333) 12.437 10.961 ( -1.004 0.000 -0.325) 1.056 11.769 ( 8.648 0.000 9.273) 12.680 11.959 ( -4.456 0.000 5.692) 7.229 12.445 ( 2.955 0.000 2.118) 3.636 12.588 ( 1.077 0.000 0.962) 1.444 12.685 ( 8.341 0.000 -2.113) 8.604 13.057 ( -0.420 0.000 -1.994) 2.038 13.625 ( -3.278 0.000 3.349) 4.686 13.681 ( 5.225 0.000 -1.872) 5.550 14.350 ( -15.323 0.000 8.786) 17.664 14.957 ( -2.894 0.000 0.462) 2.931 15.404 ( 6.761 0.000 -7.772) 10.302 15.829 ( -0.351 0.000 0.773) 0.849 16.187 ( -0.702 0.000 1.066) 1.277 16.394 ( 0.800 0.000 3.970) 4.050 16.690 ( 8.994 0.000 -9.475) 13.064 16.725 ( -1.062 0.000 -0.800) 1.329 17.175 ( -21.074 0.000 -7.607) 22.405 17.177 ( 1.088 0.000 -3.271) 3.447 18.160 ( 2.398 0.000 13.579) 13.790 19.733 ( 3.838 0.000 -2.837) 4.772 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -2.063 24.107 6.643) 25.091 0.975 ( 2.237 18.485 24.158) 30.501 1.505 ( -1.945 33.667 29.915) 45.079 2.266 ( 9.229 0.401 -3.774) 9.979 2.532 ( 5.877 -4.056 -11.320) 13.384 2.814 ( 1.428 2.127 -8.104) 8.499 2.918 ( 0.002 -2.724 2.440) 3.657 3.160 ( -1.570 -1.825 3.297) 4.082 3.377 ( 1.245 0.883 -5.640) 5.843 3.594 ( -3.062 -1.661 -1.551) 3.813 3.658 ( 0.626 -6.665 -1.570) 6.876 4.278 ( -1.453 -8.628 -5.372) 10.267 4.533 ( -2.035 4.021 5.496) 7.107 4.626 ( -0.272 1.183 5.262) 5.400 4.831 ( -0.331 -0.769 2.195) 2.350 4.864 ( -4.544 4.115 5.110) 7.981 4.994 ( 1.363 6.386 9.955) 11.905 5.553 ( -0.196 -5.300 -1.313) 5.464 6.183 ( -0.592 -1.658 -1.618) 2.391 6.559 ( 1.595 -7.125 -6.108) 9.519 6.830 ( 0.967 -9.019 -1.406) 9.179 7.126 ( -4.144 -6.080 -5.873) 9.415 7.370 ( 7.792 5.060 -2.849) 9.718 7.527 ( -6.272 -1.933 -7.402) 9.893 7.687 ( -1.889 3.778 -0.985) 4.337 7.811 ( 1.549 -4.656 1.659) 5.180 8.006 ( 2.829 0.497 -10.994) 11.363 8.165 ( -2.898 -2.406 -3.125) 4.894 8.344 ( 3.905 -3.541 4.938) 7.223 8.598 ( -1.960 -5.591 0.697) 5.966 8.957 ( 2.911 -3.346 16.513) 17.098 9.126 ( 2.355 0.987 12.962) 13.211 9.520 ( 0.887 4.999 2.203) 5.535 9.932 ( 3.363 5.827 1.115) 6.820 10.057 ( -5.517 1.787 -2.799) 6.439 10.243 ( 2.438 -4.796 -9.079) 10.553 10.588 ( -1.441 0.698 -5.427) 5.658 10.679 ( 1.451 5.095 1.813) 5.599 10.818 ( -1.251 6.212 2.189) 6.705 11.021 ( -1.830 7.493 -4.572) 8.967 11.767 ( -1.010 -2.567 1.331) 3.063 12.055 ( 2.550 -1.371 11.638) 11.993 12.368 ( 0.236 -8.048 -2.530) 8.440 12.543 ( -4.895 -1.623 0.964) 5.247 12.829 ( 3.101 5.411 -1.364) 6.384 13.111 ( -0.363 6.513 -4.311) 7.819 13.583 ( -3.008 0.393 1.179) 3.255 13.820 ( 10.967 2.277 -1.790) 11.343 14.099 ( -16.290 -3.944 7.782) 18.479 15.005 ( 3.685 -1.151 5.337) 6.587 15.375 ( 3.243 -1.640 -6.510) 7.455 15.881 ( 2.383 -2.135 2.313) 3.948 16.167 ( -3.301 0.895 -0.138) 3.423 16.290 ( -0.783 -9.841 2.093) 10.091 16.518 ( -0.841 -1.488 -14.441) 14.542 16.861 ( 2.721 -2.658 -3.198) 4.970 17.050 ( -1.605 15.327 -3.039) 15.708 17.263 ( 0.791 13.433 -5.488) 14.533 18.348 ( 0.590 -2.401 20.308) 20.458 19.661 ( -0.125 -5.013 -5.949) 7.781 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 17.105 19.789 3.513) 26.392 1.283 ( 5.201 20.347 19.774) 28.846 1.945 ( 12.284 11.812 21.957) 27.794 2.342 ( 7.690 0.023 -12.802) 14.934 2.527 ( 2.417 -3.013 -4.417) 5.868 2.775 ( 1.801 3.466 -0.425) 3.929 2.931 ( -2.309 -2.974 4.283) 5.703 3.113 ( -6.117 1.953 0.075) 6.422 3.302 ( -3.927 -0.324 -5.245) 6.560 3.426 ( -7.163 -4.218 -5.518) 9.978 3.683 ( -1.045 -4.547 4.764) 6.668 4.159 ( -3.737 -7.336 -7.880) 11.397 4.514 ( -3.084 4.221 0.765) 5.283 4.677 ( 1.154 4.179 0.396) 4.353 4.842 ( -3.109 -0.134 7.244) 7.884 4.936 ( 1.970 -2.179 9.789) 10.221 5.154 ( 2.898 7.224 10.928) 13.417 5.550 ( 1.661 -4.984 -1.203) 5.389 6.065 ( -9.360 -1.053 -2.128) 9.657 6.457 ( -4.937 -6.627 -5.990) 10.206 6.815 ( -0.217 -7.447 -2.032) 7.722 6.952 ( -7.277 -2.168 -7.245) 10.495 7.287 ( -6.621 2.729 -6.034) 9.364 7.519 ( 5.100 -2.861 0.234) 5.852 7.615 ( -1.241 -1.845 -2.804) 3.579 7.847 ( 3.175 0.571 -0.142) 3.229 8.072 ( 11.002 -2.080 -4.639) 12.120 8.090 ( -2.434 -0.066 -2.929) 3.809 8.447 ( 0.307 -7.099 4.074) 8.191 8.613 ( 4.976 -2.681 -0.136) 5.654 9.184 ( 3.404 -4.461 13.808) 14.905 9.312 ( 0.358 -3.844 11.869) 12.482 9.593 ( 3.654 5.725 2.468) 7.226 9.878 ( -7.337 1.618 -1.273) 7.620 10.006 ( -0.250 4.492 -4.658) 6.476 10.183 ( 3.084 1.952 -5.919) 6.954 10.505 ( 0.565 1.462 -1.883) 2.450 10.766 ( 2.883 2.530 0.896) 3.939 10.823 ( -0.200 6.828 -0.620) 6.859 10.959 ( 2.029 6.078 -2.736) 6.968 11.794 ( 0.417 -3.898 5.188) 6.502 12.178 ( -3.430 -4.208 -4.822) 7.261 12.286 ( -0.308 0.452 5.729) 5.755 12.496 ( -5.464 -5.347 4.397) 8.819 12.843 ( 0.730 6.705 -1.488) 6.906 13.034 ( -2.153 4.981 -5.226) 7.534 13.542 ( -2.108 2.298 -1.049) 3.291 13.931 ( -5.147 -7.641 -0.032) 9.213 14.039 ( 7.383 6.795 8.370) 13.066 15.143 ( 4.706 -3.641 4.124) 7.240 15.359 ( 2.136 0.743 -4.914) 5.410 15.879 ( -5.697 -6.394 1.329) 8.666 16.162 ( 3.621 1.431 -0.700) 3.956 16.233 ( -0.102 -5.490 -12.247) 13.422 16.401 ( 0.986 -1.092 0.396) 1.524 16.954 ( 11.873 -2.865 -5.163) 13.260 17.006 ( -1.331 17.953 -1.215) 18.044 17.211 ( 0.331 8.621 -4.428) 9.697 18.582 ( -1.105 -2.313 21.300) 21.454 19.543 ( -3.715 -5.135 -8.930) 10.950 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 19.929 14.263 -0.068) 24.508 1.604 ( 8.352 13.215 16.831) 22.971 2.199 ( 7.201 -3.743 -9.693) 12.642 2.237 ( -10.389 3.939 -5.192) 12.264 2.427 ( 0.246 0.732 -9.367) 9.399 2.803 ( -2.235 1.613 1.396) 3.090 2.925 ( -3.024 2.064 -3.881) 5.336 3.063 ( -2.639 -3.053 9.168) 10.016 3.178 ( -5.316 3.367 3.867) 7.386 3.297 ( -3.713 -5.102 -5.174) 8.160 3.722 ( -2.741 -2.957 7.318) 8.355 3.973 ( -6.995 -5.498 -9.339) 12.899 4.495 ( 1.848 1.920 0.507) 2.713 4.711 ( 5.052 0.965 -1.061) 5.252 4.922 ( -0.928 1.332 13.348) 13.447 5.080 ( 2.275 -2.544 7.016) 7.802 5.316 ( 2.343 5.259 9.331) 10.964 5.581 ( 2.644 -3.472 0.014) 4.364 5.879 ( -8.599 -0.413 -2.264) 8.902 6.282 ( -8.343 -4.054 -4.512) 10.315 6.758 ( -5.680 -2.596 -5.596) 8.386 6.791 ( 0.144 -2.380 -2.760) 3.647 7.140 ( -5.070 2.938 -2.100) 6.225 7.505 ( -2.390 -6.375 -5.007) 8.451 7.650 ( 1.455 -6.070 4.825) 7.890 7.904 ( 1.205 3.335 -0.064) 3.547 8.007 ( -2.312 -1.008 -1.350) 2.861 8.219 ( 10.946 -4.445 -2.440) 12.064 8.474 ( 1.052 -8.116 1.362) 8.296 8.717 ( 6.407 -0.306 -1.977) 6.713 9.350 ( -1.950 -3.699 7.222) 8.346 9.363 ( -3.650 -5.216 7.527) 9.858 9.660 ( 2.603 3.485 -1.458) 4.588 9.759 ( -5.131 3.075 -6.328) 8.708 9.905 ( 0.425 7.770 -2.117) 8.064 10.188 ( 1.811 1.795 -2.335) 3.458 10.583 ( 4.554 3.760 3.751) 6.996 10.776 ( 2.395 3.673 -4.313) 6.150 10.824 ( 3.395 5.125 0.223) 6.151 11.054 ( 6.612 3.149 3.164) 7.978 11.852 ( -4.380 -4.949 0.803) 6.657 11.955 ( -4.799 -1.366 -5.319) 7.294 12.409 ( -4.378 -8.302 2.627) 9.746 12.459 ( -0.857 -0.821 10.503) 10.570 12.842 ( 1.747 9.242 -1.093) 9.468 12.940 ( -1.803 8.012 -3.955) 9.115 13.484 ( -2.230 2.453 -2.894) 4.401 13.859 ( -5.472 -6.823 3.675) 9.487 14.316 ( 14.129 6.385 7.024) 17.022 15.225 ( 3.756 -3.754 -2.542) 5.888 15.324 ( -3.368 1.596 1.450) 3.999 15.777 ( -1.506 -6.641 -6.794) 9.619 16.080 ( -0.944 -4.485 -9.129) 10.215 16.218 ( 1.552 2.129 -2.008) 3.313 16.502 ( 3.393 5.058 6.377) 8.818 16.979 ( -2.594 17.947 2.814) 18.351 17.103 ( 13.711 -4.227 -7.617) 16.244 17.207 ( 5.822 2.262 -2.642) 6.782 18.781 ( -2.628 -3.186 19.065) 19.507 19.347 ( -5.838 -5.830 -11.048) 13.789 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 5.863 11.312 -4.558) 13.531 1.879 ( -1.869 2.288 -2.045) 3.593 1.941 ( -1.309 3.963 1.963) 4.612 2.126 ( 0.672 -1.587 -4.923) 5.216 2.404 ( 7.068 -0.091 -8.395) 10.975 2.748 ( -4.612 0.331 0.223) 4.630 2.801 ( -4.767 6.308 -3.985) 8.854 3.061 ( -8.530 0.721 4.559) 9.699 3.147 ( -4.724 -3.867 -6.216) 8.712 3.201 ( -3.015 -1.942 6.124) 7.097 3.694 ( -9.585 -4.207 -7.482) 12.867 3.772 ( -5.075 -1.843 5.052) 7.394 4.621 ( 9.572 -0.969 3.553) 10.256 4.844 ( 10.782 -3.449 0.584) 11.335 5.091 ( 2.945 3.242 9.345) 10.320 5.154 ( 0.474 -4.016 4.860) 6.322 5.433 ( 0.947 -0.734 6.475) 6.585 5.598 ( -4.082 0.177 2.730) 4.914 5.772 ( 2.105 -1.230 -5.831) 6.320 6.088 ( -8.963 0.457 -4.053) 9.847 6.636 ( -2.415 -0.236 -3.739) 4.457 6.772 ( -0.765 -1.444 -0.086) 1.636 7.078 ( -2.883 3.510 2.626) 5.247 7.383 ( -5.334 -5.559 -3.695) 8.544 7.686 ( -1.167 -4.240 -2.491) 5.054 7.816 ( -8.042 2.098 3.326) 8.952 8.064 ( 4.921 -9.142 2.107) 10.594 8.373 ( 8.806 -8.583 -0.947) 12.333 8.531 ( 4.016 -2.225 2.030) 5.020 8.736 ( 1.231 0.295 -6.337) 6.462 9.281 ( -7.793 -1.255 3.785) 8.754 9.378 ( -3.543 -2.052 -3.289) 5.252 9.539 ( -7.431 6.922 -2.990) 10.586 9.696 ( 1.949 2.288 -2.480) 3.896 9.997 ( 7.203 6.247 3.351) 10.106 10.202 ( 1.763 0.078 -0.789) 1.933 10.671 ( 5.194 4.285 -2.022) 7.031 10.822 ( 6.417 0.984 -0.279) 6.498 10.934 ( 4.849 5.817 5.383) 9.291 11.196 ( 6.666 2.266 -0.099) 7.041 11.623 ( -9.568 2.571 -6.327) 11.755 11.968 ( -1.617 -7.837 4.723) 9.292 12.302 ( -7.279 -11.657 0.047) 13.743 12.531 ( -4.396 -0.090 4.798) 6.508 12.839 ( 1.435 8.274 -5.713) 10.156 12.991 ( 7.096 13.078 6.722) 16.327 13.408 ( -2.569 1.784 -2.900) 4.265 13.818 ( -3.933 -5.448 2.140) 7.052 14.644 ( 14.584 5.626 7.412) 17.300 15.200 ( -0.930 0.291 -4.028) 4.144 15.326 ( -1.400 -4.247 5.821) 7.340 15.697 ( 2.737 -3.117 -8.256) 9.239 15.989 ( -1.298 -2.463 -4.374) 5.185 16.173 ( -2.203 5.243 -4.539) 7.276 16.573 ( -2.368 8.188 5.100) 9.933 16.953 ( -3.727 16.191 0.880) 16.638 17.242 ( 13.204 -4.146 -7.848) 15.910 17.383 ( 12.994 -3.441 4.427) 14.153 18.915 ( -4.047 -4.559 14.080) 15.343 19.119 ( -5.614 -7.240 -11.337) 14.576 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -3.981 9.507 2.736) 10.664 1.758 ( 0.176 2.933 -9.800) 10.231 1.918 ( -7.309 0.083 1.085) 7.389 2.241 ( 11.911 -4.768 -6.224) 14.259 2.476 ( 6.440 0.931 1.598) 6.701 2.678 ( -1.397 4.320 -2.699) 5.282 2.715 ( -3.679 1.829 3.164) 5.186 2.954 ( -7.983 2.747 2.568) 8.825 3.029 ( -0.678 -0.767 -3.108) 3.272 3.184 ( -5.350 -2.713 2.993) 6.704 3.394 ( -11.705 -1.315 -9.372) 15.053 3.774 ( -5.036 -3.429 7.045) 9.314 4.829 ( 10.600 -3.279 1.066) 11.147 5.037 ( 9.251 -2.911 -1.222) 9.774 5.121 ( 2.882 -7.095 -2.952) 8.207 5.277 ( 2.698 2.240 3.813) 5.181 5.496 ( -1.728 -2.917 4.878) 5.940 5.546 ( -3.152 -1.104 1.681) 3.739 5.733 ( -1.747 -5.600 -6.812) 8.990 5.918 ( -3.566 3.758 -5.292) 7.405 6.588 ( -0.425 0.422 -0.835) 1.027 6.774 ( -0.840 3.852 3.381) 5.194 7.077 ( -3.231 4.247 4.508) 6.985 7.284 ( -2.102 -2.310 -1.085) 3.306 7.550 ( -6.459 4.927 -4.864) 9.469 7.788 ( -2.317 -8.313 3.200) 9.204 8.162 ( 2.865 -14.106 2.646) 14.635 8.442 ( 3.606 -15.279 -4.418) 16.309 8.631 ( -1.856 -0.395 -4.063) 4.484 8.681 ( 5.321 4.948 3.572) 8.097 9.215 ( -5.487 5.641 4.574) 9.103 9.221 ( -3.341 3.615 -8.501) 9.824 9.417 ( -4.526 4.741 -2.601) 7.052 9.744 ( 2.004 -0.405 4.504) 4.946 10.159 ( 6.377 5.402 3.451) 9.043 10.217 ( 1.160 -1.364 -1.068) 2.085 10.726 ( 5.690 5.608 -4.380) 9.111 10.952 ( 6.018 0.728 3.138) 6.826 11.084 ( 4.114 4.367 8.160) 10.128 11.176 ( -1.397 3.651 -11.544) 12.188 11.526 ( -1.087 0.520 4.494) 4.652 11.969 ( -2.519 -7.457 1.781) 8.070 12.184 ( -5.445 -10.116 -2.043) 11.668 12.461 ( -6.080 2.041 0.922) 6.479 12.807 ( 2.045 8.705 -4.348) 9.943 13.194 ( 6.495 9.273 4.116) 12.046 13.355 ( -1.436 1.350 0.834) 2.140 13.764 ( -3.357 -3.391 -1.016) 4.879 14.924 ( 9.670 1.534 3.308) 10.335 15.161 ( -0.470 1.989 1.470) 2.518 15.400 ( 1.453 -4.844 7.809) 9.304 15.690 ( 1.910 -0.794 -1.797) 2.740 15.910 ( -4.011 0.535 -2.102) 4.560 16.079 ( 0.160 10.116 -6.014) 11.769 16.577 ( -3.276 5.799 4.639) 8.117 16.883 ( -3.757 13.581 -1.589) 14.180 17.354 ( 10.838 -3.623 -7.652) 13.753 17.651 ( 9.484 -3.073 5.690) 11.479 18.906 ( -2.170 -10.224 -7.637) 12.945 18.984 ( -5.332 -5.278 6.189) 9.726 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -3.934 5.646 11.686) 13.561 1.704 ( 8.549 4.025 0.647) 9.472 1.800 ( -5.150 0.862 -1.631) 5.470 2.334 ( 12.556 -2.046 -10.221) 16.319 2.540 ( -1.637 -2.383 0.754) 2.988 2.680 ( 2.065 4.498 2.602) 5.592 2.742 ( -3.708 -1.849 2.204) 4.694 2.802 ( -6.679 0.480 -2.897) 7.296 3.038 ( -4.391 2.387 -5.397) 7.355 3.106 ( 1.664 4.880 1.471) 5.361 3.270 ( 3.224 -3.705 7.710) 9.141 3.750 ( -5.995 -4.554 4.812) 8.935 4.943 ( 4.591 -3.635 -5.940) 8.341 5.016 ( 0.881 -2.306 -9.093) 9.422 5.221 ( 5.352 -5.142 -2.560) 7.851 5.282 ( -1.200 -2.093 -4.541) 5.142 5.458 ( -8.117 -2.595 -0.567) 8.540 5.519 ( -0.289 -0.439 -1.280) 1.384 5.610 ( -0.780 -6.672 -2.121) 7.044 5.854 ( 2.544 -0.216 -6.233) 6.736 6.607 ( 1.726 0.944 2.581) 3.245 6.799 ( -2.920 5.280 5.123) 7.915 7.060 ( -3.257 3.504 2.907) 5.598 7.305 ( 3.470 4.161 1.658) 5.666 7.426 ( -3.584 5.118 -0.848) 6.305 7.765 ( -1.826 -10.643 -2.123) 11.005 8.199 ( -0.502 -16.243 0.315) 16.254 8.435 ( 3.150 -11.858 -5.757) 13.553 8.557 ( -0.339 -5.832 -1.812) 6.116 8.812 ( 1.327 5.177 6.976) 8.788 9.083 ( -2.435 7.514 -6.334) 10.125 9.264 ( 2.920 11.580 7.139) 13.914 9.344 ( -0.958 -1.942 -1.853) 2.850 9.825 ( -0.840 -0.029 6.726) 6.779 10.213 ( 0.091 1.998 -1.157) 2.310 10.269 ( 1.887 3.115 3.130) 4.802 10.749 ( 3.467 6.681 -5.524) 9.336 10.994 ( -1.847 3.188 -10.540) 11.166 11.077 ( 1.387 2.418 5.804) 6.438 11.268 ( 5.580 1.967 10.192) 11.785 11.545 ( -3.161 -2.710 0.783) 4.237 11.922 ( -2.865 -8.195 -2.422) 9.013 12.099 ( -0.177 -4.620 -2.804) 5.407 12.383 ( -3.481 2.344 -0.243) 4.204 12.820 ( 3.398 8.393 -1.140) 9.126 13.236 ( -1.239 6.019 -3.731) 7.189 13.388 ( 0.130 2.517 4.517) 5.173 13.695 ( -1.409 -3.188 -3.184) 4.720 15.020 ( 4.282 -2.673 -2.306) 5.549 15.232 ( -1.840 5.313 10.348) 11.777 15.551 ( 5.057 -3.536 7.685) 9.856 15.585 ( -11.697 1.358 -2.650) 12.070 15.915 ( 3.958 0.518 3.951) 5.617 16.085 ( 5.784 12.721 -1.402) 14.044 16.560 ( -4.781 5.283 3.262) 7.836 16.814 ( -0.661 10.510 -2.895) 10.921 17.435 ( 8.129 -4.207 -5.829) 10.852 17.760 ( -0.756 -1.185 -0.368) 1.453 18.846 ( 3.310 -12.152 -4.043) 13.228 18.939 ( -5.490 -5.938 1.953) 8.319 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.281 2.028 7.765) 8.030 1.705 ( 0.756 2.898 -2.789) 4.093 2.064 ( 12.201 1.951 13.439) 18.256 2.405 ( -5.742 1.459 -3.409) 6.835 2.490 ( 6.515 0.599 -2.862) 7.142 2.573 ( -6.904 -0.808 -1.405) 7.092 2.687 ( -0.414 4.731 -5.557) 7.310 2.788 ( 4.825 4.381 3.389) 7.346 3.040 ( 4.267 -2.158 1.001) 4.885 3.131 ( 1.409 2.459 -0.349) 2.856 3.544 ( 10.842 -4.208 12.641) 17.177 3.687 ( -5.645 -5.020 2.148) 7.854 4.828 ( -2.426 -1.017 -14.861) 15.092 4.909 ( 1.625 -0.593 -14.361) 14.465 5.078 ( -13.624 -3.379 -7.512) 15.920 5.161 ( -6.008 -6.519 -3.635) 9.582 5.373 ( 0.022 -5.091 -0.254) 5.097 5.506 ( -0.586 2.530 -0.365) 2.623 5.669 ( 7.234 -4.241 -2.200) 8.670 5.847 ( 5.035 0.296 -5.473) 7.443 6.688 ( 0.586 -0.900 6.079) 6.173 6.808 ( -0.118 1.269 3.961) 4.161 7.057 ( -0.668 2.514 3.137) 4.075 7.332 ( -2.999 3.979 2.639) 5.638 7.477 ( 8.871 6.614 -1.435) 11.158 7.685 ( -1.632 -9.603 -4.542) 10.747 8.172 ( -2.334 -16.101 -0.175) 16.270 8.414 ( 2.760 -4.560 -6.732) 8.587 8.577 ( -0.176 -10.995 3.958) 11.687 8.901 ( 1.363 3.252 5.665) 6.673 9.001 ( 0.808 5.111 -5.497) 7.549 9.323 ( 0.083 -6.274 -2.063) 6.605 9.444 ( 5.630 13.956 10.280) 18.224 9.854 ( -3.251 2.495 4.695) 6.232 10.173 ( -4.214 6.384 -1.206) 7.744 10.304 ( -0.965 1.684 3.059) 3.623 10.712 ( 0.190 6.526 -6.483) 9.201 10.882 ( 0.027 2.430 -5.781) 6.271 11.156 ( -1.894 1.472 8.367) 8.704 11.416 ( -9.235 -2.741 -2.886) 10.056 11.499 ( 7.574 0.959 10.250) 12.781 11.842 ( -0.389 -8.390 -5.550) 10.067 12.119 ( 3.689 -2.598 -0.248) 4.519 12.332 ( -0.320 2.547 -3.731) 4.529 12.890 ( 3.887 7.364 1.936) 8.549 13.088 ( -7.525 9.738 -7.574) 14.451 13.448 ( 0.851 0.499 4.770) 4.871 13.649 ( 0.686 -5.423 -4.457) 7.053 15.090 ( 5.253 0.232 1.390) 5.439 15.197 ( -15.403 8.265 3.141) 17.761 15.414 ( -4.870 -1.141 4.201) 6.532 15.695 ( 3.246 -4.899 4.633) 7.483 16.048 ( 3.292 -0.278 6.693) 7.464 16.225 ( 8.893 16.000 2.650) 18.496 16.496 ( -6.050 2.964 3.118) 7.424 16.799 ( 2.521 9.236 -3.524) 10.202 17.479 ( 2.275 -6.983 -4.339) 8.530 17.657 ( -4.626 0.308 -4.559) 6.502 18.753 ( -9.361 -6.823 -4.299) 12.356 18.999 ( 9.700 -10.166 1.349) 14.116 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.243 -0.098 -1.863) 1.881 1.772 ( 2.657 8.511 0.452) 8.927 2.076 ( -7.563 5.597 -4.230) 10.316 2.356 ( -4.343 0.795 13.523) 14.226 2.546 ( 4.501 2.555 -2.591) 5.787 2.651 ( 11.058 0.831 -2.362) 11.338 2.700 ( 4.711 2.893 -1.315) 5.683 2.917 ( 4.345 1.200 4.491) 6.363 3.061 ( 0.046 2.671 -3.437) 4.353 3.188 ( 4.173 -2.585 1.580) 5.157 3.601 ( -4.030 -5.698 -0.483) 6.996 3.872 ( 10.606 -5.881 10.840) 16.266 4.615 ( -0.300 0.122 -14.786) 14.790 4.729 ( -3.880 -1.729 -12.310) 13.023 4.808 ( -7.377 0.510 -6.481) 9.833 5.015 ( -8.574 -6.467 -0.239) 10.742 5.357 ( -2.371 1.172 0.322) 2.664 5.518 ( 3.109 0.305 -0.788) 3.222 5.709 ( 2.337 -3.864 -4.803) 6.593 5.934 ( 10.811 2.139 -2.722) 11.352 6.728 ( -0.895 -5.338 3.446) 6.417 6.930 ( 5.553 -0.494 7.801) 9.588 7.106 ( 0.152 2.385 5.216) 5.738 7.323 ( 0.785 -0.982 -1.399) 1.881 7.518 ( 3.274 -4.008 -7.245) 8.903 7.724 ( 7.953 4.158 1.320) 9.071 8.113 ( -4.510 -12.854 -0.667) 13.638 8.390 ( 2.166 -3.795 -3.786) 5.782 8.593 ( -4.503 -8.153 5.061) 10.600 8.959 ( 0.078 4.323 -1.628) 4.620 9.004 ( 4.604 -6.613 -0.238) 8.062 9.270 ( -2.084 -6.772 -4.735) 8.522 9.651 ( 5.143 11.277 8.927) 15.274 9.813 ( -5.154 6.814 -1.403) 8.658 10.062 ( -6.019 10.204 0.625) 11.864 10.334 ( -0.820 1.387 5.029) 5.281 10.617 ( -2.459 4.614 -6.104) 8.037 10.844 ( 0.347 3.114 -2.901) 4.270 11.191 ( -6.175 -0.774 7.589) 9.815 11.223 ( -9.142 0.912 -0.016) 9.187 11.698 ( 3.536 -5.885 0.230) 6.870 11.849 ( 7.678 -1.859 3.797) 8.765 12.174 ( 2.510 -2.719 -1.976) 4.195 12.290 ( 2.379 0.775 -5.303) 5.863 12.854 ( -6.835 13.192 -6.560) 16.241 12.996 ( 2.460 6.635 3.696) 7.984 13.509 ( 0.935 -1.905 2.599) 3.355 13.621 ( 2.050 -5.639 -3.694) 7.046 14.912 ( -18.073 5.732 0.644) 18.971 15.224 ( 5.488 2.675 4.896) 7.826 15.409 ( -5.362 2.278 6.387) 8.645 15.772 ( 1.270 -8.181 2.655) 8.694 16.120 ( 0.376 -0.367 -0.305) 0.608 16.384 ( 5.653 16.322 0.793) 17.292 16.480 ( -3.166 -0.833 8.516) 9.123 16.801 ( 3.093 10.020 -4.018) 11.230 17.356 ( -6.512 -4.497 -4.967) 9.343 17.636 ( 1.589 -2.298 2.337) 3.642 18.491 ( -11.490 -5.707 -10.734) 16.727 19.207 ( 11.246 -8.573 3.120) 14.481 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -13.918 7.745 -5.753) 16.935 1.575 ( -18.106 14.482 -6.291) 24.024 2.120 ( 16.320 4.549 -6.075) 17.998 2.352 ( -19.873 9.978 -0.255) 22.239 2.599 ( 7.924 -4.353 5.752) 10.716 2.682 ( -1.172 0.955 -10.422) 10.532 2.808 ( 7.232 1.467 2.984) 7.960 2.981 ( 1.886 -2.730 2.433) 4.115 3.119 ( 7.629 2.375 3.161) 8.593 3.262 ( 4.548 -1.871 -1.082) 5.035 3.562 ( 1.408 -5.838 -1.595) 6.214 4.134 ( 7.543 -8.083 8.019) 13.658 4.523 ( 0.187 -0.294 -4.739) 4.752 4.569 ( 1.510 -1.397 -12.334) 12.504 4.701 ( -0.242 2.155 1.670) 2.737 4.879 ( -7.894 -4.750 1.281) 9.301 5.292 ( -7.672 9.135 1.881) 12.077 5.586 ( 4.339 -2.285 0.024) 4.904 5.706 ( 5.149 -2.095 -2.517) 6.102 6.118 ( 14.284 -0.979 -2.344) 14.508 6.760 ( 1.569 -9.053 0.846) 9.227 7.127 ( 6.159 -0.307 8.373) 10.398 7.159 ( -1.341 2.140 5.861) 6.382 7.314 ( 5.293 -2.060 -7.460) 9.376 7.542 ( 5.065 -6.377 -1.127) 8.221 7.873 ( 7.250 6.404 -0.302) 9.678 8.020 ( -4.000 -8.020 -0.842) 9.002 8.413 ( 2.202 -5.125 1.397) 5.750 8.550 ( -7.910 -8.052 6.127) 12.843 8.901 ( -0.956 0.524 -7.828) 7.903 8.982 ( -7.355 -11.874 -4.672) 14.728 9.199 ( -0.472 -0.404 -2.487) 2.563 9.658 ( -5.062 8.488 -6.272) 11.705 9.781 ( 1.098 5.589 4.952) 7.548 10.030 ( -1.998 12.928 2.561) 13.330 10.376 ( -0.109 1.356 3.120) 3.404 10.531 ( -1.822 1.662 -0.919) 2.632 10.808 ( -0.298 4.776 -3.739) 6.073 11.095 ( -4.634 4.191 1.325) 6.387 11.164 ( -10.337 -0.764 8.547) 13.435 11.683 ( 0.476 -4.664 -3.733) 5.993 12.095 ( 8.856 -3.259 5.885) 11.122 12.129 ( 2.492 -1.137 -8.265) 8.707 12.311 ( 1.675 -2.487 1.890) 3.544 12.733 ( 0.731 14.509 -4.825) 15.307 13.077 ( 1.086 4.743 4.675) 6.748 13.534 ( 1.651 -4.585 -0.938) 4.963 13.638 ( 2.192 -2.223 -0.430) 3.151 14.646 ( -16.659 2.688 4.018) 17.346 15.290 ( -7.088 -0.306 2.563) 7.543 15.410 ( 1.117 8.856 4.274) 9.896 15.789 ( -1.101 -10.092 -0.143) 10.153 16.106 ( 2.515 -2.186 -3.403) 4.763 16.387 ( -2.415 7.646 -3.449) 8.728 16.531 ( -1.376 -3.164 5.910) 6.843 16.853 ( 5.586 15.204 0.261) 16.200 17.259 ( -0.620 3.380 -1.146) 3.622 17.692 ( -6.368 -5.838 12.525) 15.216 18.151 ( -7.980 -3.935 -18.392) 20.431 19.422 ( 10.262 -7.027 2.511) 12.688 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -16.959 17.453 -7.430) 25.444 1.170 ( -20.304 17.889 -4.727) 27.470 1.860 ( -33.296 19.901 3.844) 38.980 2.360 ( 16.697 4.205 -13.095) 21.632 2.457 ( -5.069 0.268 -7.333) 8.918 2.768 ( 3.937 -5.172 4.671) 8.004 2.928 ( 3.265 -0.128 -1.395) 3.553 3.038 ( 2.823 -4.599 0.272) 5.403 3.326 ( 9.274 0.909 -1.200) 9.395 3.350 ( 8.931 1.009 3.476) 9.636 3.603 ( 4.146 -6.137 -0.391) 7.417 4.289 ( 3.451 -9.586 2.818) 10.571 4.465 ( 0.379 -1.390 -4.753) 4.967 4.531 ( 1.308 -0.539 2.023) 2.469 4.783 ( -0.764 -1.438 4.691) 4.966 4.804 ( -0.835 1.675 3.045) 3.574 5.145 ( -11.175 11.891 1.147) 16.358 5.606 ( -1.012 -4.998 0.109) 5.100 5.875 ( 13.898 0.060 0.700) 13.916 6.343 ( 15.030 -4.749 -2.272) 15.925 6.790 ( 2.651 -10.152 -1.808) 10.647 7.193 ( -0.565 -0.480 3.356) 3.437 7.261 ( 4.695 0.758 -2.483) 5.365 7.406 ( 10.378 0.315 1.034) 10.434 7.624 ( 4.124 -6.529 1.462) 7.860 7.870 ( -3.949 1.646 -1.514) 4.538 8.059 ( 5.711 -1.700 1.728) 6.204 8.466 ( -11.154 -9.038 5.972) 15.548 8.488 ( 0.902 -6.043 5.608) 8.294 8.692 ( -6.813 -5.917 -16.668) 18.954 8.789 ( -8.435 -1.501 -0.573) 8.586 9.107 ( -5.707 5.579 -3.339) 8.652 9.570 ( -1.764 3.402 -1.611) 4.157 9.855 ( 3.372 2.757 2.632) 5.089 10.007 ( -0.975 10.844 -0.013) 10.888 10.391 ( 0.428 -2.313 -2.172) 3.201 10.531 ( 0.163 1.051 1.606) 1.926 10.766 ( 0.215 7.509 -2.433) 7.896 11.032 ( -10.475 0.309 2.861) 10.863 11.092 ( -2.796 6.303 3.694) 7.823 11.666 ( 1.383 -1.151 -0.598) 1.896 12.027 ( -3.445 -0.243 -3.779) 5.119 12.257 ( 6.118 -9.451 -2.307) 11.492 12.436 ( 5.960 0.319 7.768) 9.796 12.741 ( 4.815 10.717 -4.033) 12.422 13.131 ( 0.115 5.162 2.851) 5.899 13.564 ( 3.311 -3.711 -0.831) 5.042 13.665 ( 1.107 -0.479 0.051) 1.207 14.451 ( -15.659 -0.735 8.491) 17.828 15.119 ( -10.418 1.031 -3.006) 10.892 15.446 ( -0.130 5.937 -1.233) 6.065 15.766 ( 0.614 -7.356 -0.744) 7.419 16.148 ( 4.612 -3.275 -0.835) 5.717 16.309 ( -2.939 -0.169 -0.527) 2.991 16.567 ( 1.147 -2.994 0.926) 3.337 16.936 ( 2.931 13.397 0.192) 13.715 17.276 ( 3.019 11.866 -1.610) 12.349 17.567 ( -22.548 -4.395 4.212) 23.356 17.973 ( 5.780 -3.983 -4.421) 8.296 19.591 ( 7.707 -5.946 0.381) 9.741 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -10.167 24.853 2.180) 26.940 0.857 ( -18.903 18.117 10.543) 28.226 1.465 ( -25.169 35.753 17.969) 47.272 2.244 ( -0.618 0.882 -6.985) 7.068 2.530 ( 12.549 0.076 -13.214) 18.224 2.856 ( 1.091 -3.209 2.419) 4.164 2.897 ( 2.069 -1.669 -7.020) 7.506 3.110 ( 2.018 -3.919 3.841) 5.847 3.388 ( 4.520 2.581 -4.573) 6.928 3.540 ( 6.350 -1.106 2.176) 6.803 3.665 ( 3.405 -5.946 -1.513) 7.017 4.324 ( 0.838 -9.198 -2.005) 9.451 4.471 ( 0.567 -0.718 4.066) 4.167 4.591 ( -1.130 -1.363 5.675) 5.945 4.793 ( 0.274 2.908 3.266) 4.382 4.870 ( -0.578 1.565 5.370) 5.623 4.980 ( -9.189 10.245 1.823) 13.882 5.580 ( -1.463 -5.239 -0.637) 5.476 6.101 ( 10.545 -0.999 0.326) 10.597 6.524 ( 9.679 -6.878 -3.968) 12.519 6.814 ( 2.883 -9.744 -1.944) 10.346 7.214 ( -1.028 -7.215 -0.430) 7.301 7.280 ( 7.239 6.849 -7.184) 12.285 7.586 ( 6.551 0.067 1.471) 6.714 7.717 ( 4.981 -4.037 1.962) 6.705 7.763 ( -5.998 0.203 -2.948) 6.687 8.174 ( 3.447 -2.124 3.987) 5.683 8.252 ( -12.973 -3.885 -8.911) 16.211 8.356 ( -7.280 -4.689 -6.603) 10.890 8.614 ( -0.173 -6.919 1.769) 7.143 8.748 ( -0.916 0.137 12.586) 12.620 9.027 ( -2.681 5.406 3.924) 7.198 9.523 ( -2.070 3.073 -0.319) 3.719 9.891 ( 1.929 6.115 -2.139) 6.759 10.072 ( 3.822 1.916 2.867) 5.148 10.324 ( -1.504 -5.334 -6.808) 8.779 10.561 ( 2.841 3.317 -0.168) 4.371 10.751 ( -0.291 7.018 -3.158) 7.702 10.866 ( -10.155 1.766 2.278) 10.556 11.083 ( -1.308 7.233 -1.113) 7.434 11.732 ( 3.556 -0.496 2.759) 4.528 11.956 ( -3.835 0.068 4.749) 6.105 12.329 ( 4.420 -8.688 -0.268) 9.751 12.572 ( 0.762 -2.396 3.479) 4.292 12.781 ( 5.127 7.205 -3.287) 9.434 13.143 ( 0.155 7.094 -1.118) 7.183 13.604 ( -0.614 -1.278 1.762) 2.262 13.698 ( 5.681 0.257 -1.909) 5.999 14.287 ( -16.956 -3.265 9.335) 19.629 14.965 ( -3.442 1.049 -0.552) 3.641 15.407 ( 0.896 0.411 -5.231) 5.323 15.805 ( 3.995 -3.004 0.132) 5.000 16.199 ( 0.052 -1.378 1.197) 1.826 16.280 ( -1.631 -5.643 1.957) 6.191 16.591 ( 4.298 -2.365 -5.494) 7.365 16.936 ( -2.902 5.531 -1.418) 6.404 17.205 ( -14.098 2.839 -4.659) 15.117 17.297 ( 3.349 16.432 -6.873) 18.123 18.120 ( 2.742 -3.783 14.210) 14.958 19.677 ( 4.000 -5.299 -2.642) 7.145 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 1.828 25.335 1.680) 25.457 1.395 ( 6.128 21.236 11.346) 24.845 2.198 ( -1.891 23.395 4.541) 23.907 2.296 ( 3.253 5.925 5.315) 8.598 2.497 ( 3.524 2.439 -7.669) 8.785 2.834 ( -0.140 -4.103 2.025) 4.577 2.875 ( 1.719 3.339 -4.976) 6.234 3.136 ( -0.087 0.124 6.078) 6.080 3.337 ( 0.413 -5.773 -8.640) 10.399 3.480 ( 0.198 -8.482 -2.273) 8.783 3.535 ( -2.768 -4.512 -1.578) 5.524 4.053 ( -0.883 -12.240 -2.949) 12.621 4.577 ( -0.247 -0.924 9.845) 9.892 4.624 ( 3.579 -1.655 10.193) 10.929 4.855 ( -1.980 5.591 -3.292) 6.784 5.002 ( -6.555 7.845 3.455) 10.791 5.185 ( 3.553 10.903 5.300) 12.632 5.436 ( -1.888 -4.347 1.102) 4.866 6.131 ( 0.140 -3.121 -2.509) 4.006 6.350 ( 0.943 -11.684 -4.539) 12.570 6.665 ( -0.235 -6.737 0.689) 6.776 6.971 ( -1.457 -8.637 -3.924) 9.598 7.419 ( -3.601 -6.396 -6.340) 9.698 7.426 ( 3.303 0.026 -5.192) 6.154 7.751 ( 0.726 1.970 0.047) 2.100 7.785 ( -1.331 1.855 -0.194) 2.292 8.018 ( -0.890 0.281 -4.676) 4.768 8.086 ( 1.591 -4.952 -3.972) 6.545 8.223 ( 1.891 -7.508 4.296) 8.855 8.447 ( 1.350 -8.395 -0.833) 8.543 8.912 ( 1.259 -0.864 14.638) 14.718 9.082 ( -0.687 -4.124 7.740) 8.797 9.665 ( 1.471 8.025 3.171) 8.753 9.971 ( -0.147 -1.610 -4.787) 5.053 10.124 ( 0.545 3.376 -2.852) 4.452 10.242 ( 2.524 4.227 -2.824) 5.676 10.626 ( -3.068 3.115 -3.506) 5.604 10.781 ( 0.291 4.190 2.754) 5.023 10.965 ( 0.464 7.068 -0.126) 7.084 11.173 ( -1.998 5.849 -4.301) 7.531 11.760 ( -1.794 1.620 1.037) 2.630 12.016 ( 3.048 -2.470 6.638) 7.711 12.201 ( 2.442 -6.841 0.174) 7.266 12.453 ( -5.525 -6.296 1.168) 8.458 12.982 ( 2.858 8.840 -1.741) 9.452 13.275 ( -2.680 7.879 -4.212) 9.327 13.604 ( -0.822 1.453 2.046) 2.641 13.785 ( 6.320 -5.115 -1.184) 8.216 14.153 ( -9.919 9.654 8.358) 16.169 14.996 ( 2.496 0.284 0.880) 2.662 15.350 ( 1.280 -1.960 -0.600) 2.417 15.746 ( -0.423 -8.383 0.444) 8.405 16.110 ( 2.317 -7.138 -0.360) 7.513 16.184 ( -3.903 -0.343 -0.587) 3.962 16.509 ( -1.263 0.380 -11.999) 12.071 16.792 ( 2.115 -3.783 -4.324) 6.122 17.278 ( 0.538 9.195 2.080) 9.442 17.654 ( 0.992 16.721 -9.083) 19.055 18.325 ( 0.449 2.891 19.938) 20.152 19.508 ( -0.373 -9.396 -5.176) 10.734 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 12.387 23.508 -0.522) 26.577 1.688 ( 8.716 17.237 13.652) 23.653 2.178 ( 4.309 8.766 -10.359) 14.238 2.437 ( 5.521 4.408 -0.478) 7.081 2.516 ( -1.490 4.117 5.083) 6.709 2.818 ( -2.319 -0.654 -2.474) 3.453 2.856 ( -1.503 -0.568 4.615) 4.886 3.162 ( -4.108 1.607 2.154) 4.909 3.228 ( -0.416 -8.354 -8.014) 11.584 3.336 ( -7.005 -1.760 -3.968) 8.241 3.560 ( -0.839 -6.855 7.207) 9.982 3.971 ( -3.608 -9.923 -4.970) 11.670 4.631 ( -3.529 5.685 3.471) 7.538 4.746 ( -3.023 1.746 4.403) 5.619 4.856 ( 4.122 3.903 3.864) 6.867 4.950 ( -3.058 2.947 7.907) 8.975 5.326 ( 2.794 7.972 6.093) 10.416 5.440 ( 1.525 -3.790 1.614) 4.393 6.028 ( -7.549 -2.402 -3.025) 8.479 6.274 ( -2.687 -9.952 -5.150) 11.523 6.649 ( -2.047 -7.606 0.226) 7.880 6.912 ( 0.025 -3.675 -4.386) 5.722 7.211 ( -7.643 -5.599 -7.159) 11.875 7.446 ( 1.560 -5.128 -1.512) 5.569 7.652 ( -6.739 4.038 -2.481) 8.239 7.810 ( 2.032 -2.816 0.352) 3.491 8.024 ( 3.918 -2.678 -2.866) 5.544 8.089 ( 1.424 -1.774 -1.818) 2.912 8.282 ( 1.332 -7.058 1.960) 7.445 8.521 ( 8.565 -5.621 -0.278) 10.249 9.105 ( 2.550 -2.700 12.689) 13.222 9.195 ( 0.144 -5.907 10.279) 11.856 9.735 ( 3.100 6.863 1.134) 7.615 9.882 ( -1.405 -0.857 -5.634) 5.869 10.083 ( -0.053 3.757 -5.637) 6.774 10.260 ( 2.105 3.099 -3.674) 5.247 10.598 ( 2.647 7.222 2.160) 7.989 10.830 ( 2.102 3.119 0.697) 3.825 10.976 ( 0.022 6.796 0.187) 6.798 11.087 ( -0.228 5.375 -4.885) 7.267 11.742 ( -2.545 -0.328 3.083) 4.011 12.083 ( -1.033 -4.382 -3.695) 5.825 12.273 ( 3.179 -1.633 7.595) 8.394 12.356 ( -7.536 -7.469 1.973) 10.792 13.017 ( 3.094 9.179 -0.862) 9.724 13.168 ( -2.373 7.125 -5.240) 9.157 13.600 ( -1.739 2.725 0.283) 3.244 13.774 ( -6.662 -6.217 3.310) 9.694 14.244 ( 8.843 12.425 6.055) 16.408 15.067 ( 4.992 -3.369 -0.761) 6.070 15.396 ( 3.723 2.349 -1.030) 4.521 15.700 ( -5.647 -9.528 1.322) 11.154 16.088 ( -2.069 -4.102 -4.505) 6.434 16.183 ( 5.196 -3.006 -2.774) 6.613 16.390 ( 2.824 -0.901 -4.345) 5.260 16.854 ( 10.437 -6.075 -5.905) 13.442 17.319 ( 0.210 12.719 3.181) 13.113 17.545 ( -2.675 18.810 -7.578) 20.455 18.536 ( -2.337 -0.930 20.004) 20.161 19.388 ( -4.831 -9.334 -7.999) 13.208 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 14.043 18.014 -1.127) 22.869 1.915 ( 3.109 14.887 7.908) 17.141 2.149 ( 9.089 0.801 -14.830) 17.412 2.345 ( -13.388 4.130 -5.844) 15.181 2.475 ( -1.942 2.475 -3.547) 4.741 2.720 ( -5.427 -4.900 -1.226) 7.414 2.938 ( 0.671 -3.753 8.700) 9.499 3.053 ( -2.773 -3.581 -6.883) 8.239 3.161 ( -3.248 -1.597 -1.782) 4.034 3.276 ( -3.139 4.555 5.779) 8.000 3.632 ( -2.155 -5.361 8.426) 10.217 3.824 ( -6.007 -8.115 -6.494) 12.004 4.566 ( -1.317 5.653 -1.630) 6.029 4.751 ( -1.155 2.945 0.475) 3.198 4.951 ( 1.877 2.539 12.131) 12.535 5.080 ( 1.765 1.079 6.642) 6.957 5.376 ( -2.838 -0.943 5.685) 6.424 5.538 ( 4.829 1.170 3.080) 5.846 5.856 ( -7.891 -1.959 -3.244) 8.754 6.168 ( -3.406 -6.924 -4.035) 8.708 6.614 ( -2.380 -6.313 0.649) 6.778 6.853 ( -2.433 3.428 -2.919) 5.117 7.068 ( -0.266 -7.466 -4.647) 8.798 7.427 ( -2.906 -7.362 -1.842) 8.126 7.544 ( -4.390 1.005 1.609) 4.783 7.825 ( -0.508 -6.710 0.356) 6.739 8.015 ( -3.780 -1.259 -1.290) 4.188 8.098 ( 4.148 -7.352 -2.712) 8.866 8.374 ( 6.851 -0.681 3.062) 7.534 8.664 ( 8.579 -4.020 -2.515) 9.802 9.257 ( 0.474 -4.372 6.142) 7.554 9.270 ( -3.148 -3.303 9.748) 10.763 9.749 ( 0.606 3.838 -5.556) 6.780 9.820 ( 2.032 2.494 -6.850) 7.568 10.051 ( 1.858 5.952 -0.826) 6.289 10.230 ( 0.638 2.079 -3.542) 4.156 10.704 ( 4.393 6.891 2.295) 8.489 10.868 ( 3.089 4.499 -3.559) 6.515 10.953 ( 1.065 6.606 1.280) 6.813 11.123 ( 4.484 2.950 2.734) 6.024 11.741 ( -2.810 -4.241 3.765) 6.329 11.943 ( -6.000 0.004 -7.601) 9.684 12.222 ( -7.291 -8.002 -0.861) 10.860 12.447 ( 1.947 -1.421 9.960) 10.248 13.059 ( 2.058 10.591 -1.986) 10.970 13.118 ( 2.698 8.227 -0.709) 8.687 13.544 ( -3.781 2.647 -1.880) 4.984 13.711 ( -6.140 -6.071 5.364) 10.165 14.508 ( 14.018 11.296 5.405) 18.797 15.132 ( 5.243 -4.690 -2.979) 7.639 15.381 ( -3.206 3.648 -3.183) 5.807 15.652 ( -0.534 -4.677 1.051) 4.824 15.993 ( -0.670 -3.894 -7.112) 8.136 16.209 ( 3.453 -0.320 -3.188) 4.710 16.559 ( 12.388 -3.322 6.701) 14.471 16.975 ( 11.449 -7.815 -5.983) 15.098 17.341 ( -1.118 14.988 1.210) 15.079 17.411 ( -3.590 17.411 -5.251) 18.537 18.694 ( -4.438 -4.536 17.816) 18.912 19.176 ( -8.067 -10.074 -10.112) 16.396 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 1.745 12.607 -3.533) 13.209 1.966 ( -6.850 5.520 -6.084) 10.696 2.020 ( -5.004 3.309 -2.257) 6.410 2.123 ( 7.476 2.689 -9.894) 12.689 2.481 ( 3.019 5.734 -0.082) 6.480 2.628 ( -5.717 -7.426 2.156) 9.617 2.922 ( -3.964 -4.732 -2.605) 6.700 3.027 ( -2.751 -5.628 2.829) 6.873 3.066 ( -3.629 6.168 -2.072) 7.451 3.260 ( -4.711 4.959 2.663) 7.340 3.584 ( -8.310 -5.927 -5.889) 11.784 3.700 ( -4.617 -4.781 4.706) 8.144 4.611 ( 6.699 0.734 0.966) 6.808 4.773 ( 4.295 -1.305 0.551) 4.522 5.086 ( -0.855 -2.094 -1.426) 2.674 5.179 ( 3.278 3.361 13.552) 14.342 5.391 ( -3.250 -2.403 5.563) 6.876 5.607 ( -1.958 0.336 2.943) 3.550 5.714 ( -2.569 -4.161 -6.172) 7.875 6.058 ( -5.595 -5.004 -3.305) 8.201 6.590 ( -1.098 -1.918 0.269) 2.226 6.812 ( -0.400 3.754 2.271) 4.406 7.088 ( 4.795 -2.015 -0.180) 5.204 7.324 ( -4.191 -3.431 -3.198) 6.290 7.524 ( -3.031 -5.722 3.565) 7.392 7.811 ( -1.730 -7.426 -0.720) 7.658 7.913 ( -5.708 -0.496 0.194) 5.733 8.131 ( 3.258 -11.831 -3.565) 12.778 8.559 ( 7.650 2.677 6.960) 10.683 8.711 ( 3.428 -2.093 -7.510) 8.516 9.246 ( -4.093 -1.492 3.425) 5.542 9.345 ( 0.333 -1.243 3.400) 3.636 9.663 ( -2.227 4.135 -4.244) 6.330 9.769 ( 0.447 3.672 -7.564) 8.420 10.089 ( 2.397 2.460 -0.254) 3.444 10.241 ( 3.625 3.381 -0.270) 4.964 10.789 ( 5.183 6.353 -0.405) 8.209 10.882 ( 5.362 4.485 -2.321) 7.366 11.062 ( 4.157 5.690 5.542) 8.965 11.241 ( 4.540 1.460 2.467) 5.370 11.670 ( -8.299 0.203 -2.935) 8.805 11.800 ( -3.417 -6.220 0.269) 7.102 12.110 ( -4.228 -5.019 -1.210) 6.673 12.526 ( -2.755 -1.204 4.895) 5.745 13.037 ( 0.758 9.794 -3.844) 10.548 13.238 ( 6.798 9.804 4.129) 12.624 13.446 ( -4.224 1.461 -2.621) 5.181 13.690 ( -3.582 -5.819 4.827) 8.366 14.795 ( 13.093 7.774 3.033) 15.526 15.181 ( 5.152 -3.501 -2.615) 6.756 15.277 ( -5.512 1.891 0.591) 5.857 15.691 ( 3.792 3.484 0.757) 5.205 15.919 ( -1.054 -4.669 -3.663) 6.027 16.247 ( 5.233 3.859 -3.203) 7.248 16.804 ( 4.605 6.827 4.368) 9.322 17.089 ( 8.406 -8.105 -2.920) 12.037 17.303 ( 3.399 9.792 -7.653) 12.884 17.380 ( 0.541 10.826 5.503) 12.156 18.780 ( -6.000 -8.020 11.076) 14.933 18.912 ( -9.158 -11.692 -8.847) 17.287 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -5.960 11.818 3.225) 13.623 1.834 ( 0.723 4.003 -9.690) 10.509 1.919 ( -6.958 0.323 -0.088) 6.966 2.210 ( 11.761 1.356 -8.220) 14.413 2.481 ( -1.299 -1.608 -1.373) 2.482 2.629 ( -0.141 -1.865 6.530) 6.793 2.833 ( -6.143 -1.124 0.928) 6.313 2.931 ( -6.448 -0.019 -1.803) 6.695 3.050 ( 0.391 2.349 4.363) 4.970 3.223 ( -1.405 6.093 0.155) 6.254 3.346 ( -9.461 -3.125 -7.647) 12.560 3.678 ( -4.830 -5.314 4.484) 8.466 4.757 ( 9.011 -2.932 -0.835) 9.513 4.909 ( 9.445 -6.571 1.815) 11.648 5.022 ( -0.881 -2.873 -4.704) 5.582 5.320 ( -0.909 1.540 2.805) 3.327 5.413 ( 0.292 -3.824 4.685) 6.054 5.550 ( -5.354 -1.605 -3.013) 6.349 5.597 ( -4.131 -5.280 -3.415) 7.523 5.906 ( -7.257 -5.634 -3.500) 9.831 6.593 ( 1.321 0.832 0.039) 1.562 6.884 ( 1.211 5.774 6.305) 8.635 7.172 ( 1.322 3.845 2.103) 4.578 7.266 ( 2.756 -1.733 -1.677) 3.662 7.507 ( -1.399 -6.716 0.268) 6.865 7.714 ( -6.784 0.897 -1.624) 7.033 7.881 ( -1.836 -9.832 3.057) 10.459 8.126 ( 1.505 -13.651 -3.483) 14.168 8.619 ( 0.169 -0.237 -11.380) 11.383 8.753 ( 3.178 1.120 8.940) 9.554 9.230 ( 0.078 1.064 -1.262) 1.652 9.373 ( 0.965 6.712 3.110) 7.460 9.559 ( -4.844 6.907 -6.708) 10.778 9.727 ( 1.552 -1.130 1.463) 2.413 10.122 ( 0.899 -3.056 1.433) 3.493 10.328 ( 5.828 5.441 0.423) 7.984 10.870 ( 4.776 7.433 -0.586) 8.855 10.996 ( 7.340 3.623 2.065) 8.442 11.185 ( 3.070 4.403 5.682) 7.817 11.253 ( -1.180 2.991 -7.906) 8.535 11.529 ( -5.431 -0.556 2.522) 6.013 11.761 ( -3.411 -10.836 0.645) 11.379 12.060 ( -0.635 -0.557 -0.439) 0.952 12.489 ( -4.861 0.070 1.432) 5.068 13.011 ( 0.843 9.763 -2.713) 10.168 13.350 ( 0.182 2.892 -2.962) 4.144 13.393 ( 2.377 3.675 3.266) 5.461 13.683 ( -2.652 -3.856 2.086) 5.124 14.950 ( 6.449 1.396 -3.855) 7.642 15.229 ( -3.419 3.167 6.001) 7.598 15.311 ( 7.297 -2.323 5.724) 9.561 15.790 ( 3.880 10.814 3.326) 11.961 15.862 ( -2.535 -4.724 -0.821) 5.423 16.301 ( 6.844 10.480 -5.117) 13.522 16.798 ( -4.932 13.489 1.041) 14.400 17.139 ( -0.910 2.846 -1.437) 3.315 17.296 ( 7.962 3.650 -9.620) 13.010 17.570 ( 8.512 -2.895 9.329) 12.956 18.619 ( -6.076 -16.044 -11.276) 20.530 18.820 ( -7.435 -10.071 8.249) 14.992 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -5.748 7.409 2.673) 9.751 1.794 ( -4.634 1.656 0.924) 5.007 1.839 ( 9.708 5.479 1.680) 11.274 2.323 ( 12.663 0.824 -7.699) 14.843 2.459 ( -1.798 -5.394 1.932) 6.005 2.684 ( -3.273 -1.307 2.433) 4.282 2.795 ( -5.856 2.610 6.049) 8.815 2.806 ( -0.568 0.104 1.716) 1.810 3.093 ( -5.671 3.526 -6.289) 9.173 3.189 ( 2.409 -2.169 1.596) 3.613 3.239 ( 3.330 5.967 4.733) 8.313 3.635 ( -4.859 -5.706 2.029) 7.765 4.847 ( 4.634 -4.713 -5.078) 8.335 4.966 ( 1.767 -2.239 -5.572) 6.260 5.073 ( 6.056 -7.491 -0.733) 9.661 5.255 ( -2.408 -0.596 -8.183) 8.550 5.332 ( -10.293 -8.017 -6.298) 14.487 5.454 ( 3.095 -5.283 -1.669) 6.346 5.560 ( -2.258 0.636 2.821) 3.668 5.779 ( -2.341 -6.997 -2.918) 7.934 6.629 ( 1.970 0.995 1.253) 2.537 6.922 ( -4.000 5.918 3.462) 7.938 7.162 ( -2.086 5.572 0.120) 5.951 7.377 ( 6.865 -3.524 1.835) 7.932 7.501 ( 2.822 -0.112 -1.510) 3.203 7.582 ( -7.683 1.430 -0.336) 7.822 7.880 ( -2.173 -12.404 2.262) 12.794 8.133 ( 2.920 -14.119 -0.517) 14.427 8.496 ( 0.796 -0.462 -10.874) 10.913 8.857 ( -0.299 -2.918 5.750) 6.455 9.193 ( -0.758 5.080 -3.631) 6.290 9.394 ( -3.239 5.689 -8.207) 10.499 9.506 ( 5.858 10.772 9.049) 15.239 9.812 ( 0.995 -1.268 7.409) 7.583 10.159 ( 0.264 -3.190 3.811) 4.977 10.411 ( 2.212 5.441 1.007) 5.959 10.912 ( 1.573 7.892 -2.165) 8.333 11.077 ( -1.882 4.492 -9.285) 10.484 11.144 ( 2.574 3.767 2.688) 5.295 11.316 ( 4.572 2.116 7.234) 8.815 11.483 ( -4.787 -2.730 0.818) 5.571 11.694 ( -2.684 -11.483 -2.804) 12.121 12.072 ( 1.181 2.011 1.218) 2.631 12.426 ( -3.248 1.167 0.140) 3.454 13.014 ( 1.879 8.953 -0.461) 9.159 13.320 ( 0.325 1.556 -1.717) 2.340 13.447 ( 1.065 1.946 -0.402) 2.254 13.630 ( -3.731 -2.192 -2.282) 4.892 15.006 ( 5.820 1.647 -1.827) 6.319 15.268 ( -3.721 -0.703 11.225) 11.846 15.494 ( 1.972 -1.871 7.823) 8.282 15.748 ( -6.183 8.812 -1.170) 10.828 15.911 ( 2.440 3.628 3.531) 5.620 16.395 ( 10.039 15.920 -1.001) 18.847 16.730 ( -4.845 10.392 0.484) 11.476 17.072 ( -1.862 10.856 -3.280) 11.493 17.326 ( 6.908 -4.597 -8.772) 12.075 17.728 ( -1.169 -1.254 3.590) 3.978 18.491 ( 4.651 -20.828 -5.862) 22.131 18.755 ( -7.854 -11.335 2.762) 14.064 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.702 3.903 0.542) 4.002 1.763 ( 5.675 2.124 -2.591) 6.590 2.129 ( 6.678 4.047 11.995) 14.313 2.444 ( 6.563 2.368 -2.419) 7.385 2.455 ( -0.027 -3.130 3.668) 4.822 2.587 ( -6.253 0.505 -0.540) 6.296 2.808 ( 1.523 3.802 6.079) 7.330 2.898 ( 1.415 7.200 0.779) 7.379 2.983 ( 1.842 -2.640 0.332) 3.236 3.194 ( 0.848 3.409 -2.896) 4.553 3.452 ( 6.742 -3.523 9.852) 12.447 3.570 ( -2.860 -5.412 -0.061) 6.122 4.784 ( -0.782 -2.669 -10.529) 10.890 4.909 ( 1.298 0.570 -15.458) 15.523 4.985 ( -11.359 -4.465 -4.666) 13.066 5.049 ( -3.230 -3.820 -6.266) 8.018 5.241 ( -0.626 -6.461 0.011) 6.491 5.526 ( 8.435 -9.132 -3.704) 12.971 5.551 ( -1.096 1.019 0.309) 1.528 5.786 ( 6.607 -6.174 -2.288) 9.328 6.674 ( -0.758 -0.043 3.814) 3.889 6.863 ( -4.203 4.043 1.169) 5.948 7.146 ( 0.480 4.748 0.706) 4.824 7.412 ( -1.110 -10.213 -1.873) 10.443 7.444 ( -7.591 3.036 -0.286) 8.181 7.638 ( 10.663 5.989 1.065) 12.276 7.863 ( -2.183 -12.094 1.464) 12.376 8.214 ( 4.377 -14.031 3.145) 15.030 8.404 ( 1.175 -1.856 -8.590) 8.866 8.880 ( -0.330 -7.167 -0.753) 7.214 9.134 ( -2.440 6.816 -2.023) 7.517 9.287 ( -0.437 3.394 -5.632) 6.591 9.719 ( 4.893 11.198 10.541) 16.139 9.905 ( 0.187 2.275 7.251) 7.602 10.220 ( -0.754 -0.430 7.123) 7.175 10.402 ( -3.772 5.283 -0.062) 6.492 10.875 ( -1.113 7.472 -4.600) 8.845 10.952 ( -0.295 4.540 -7.100) 8.433 11.199 ( -2.027 2.183 4.197) 5.147 11.356 ( -7.210 -2.496 -1.086) 7.707 11.516 ( 6.708 0.421 6.155) 9.113 11.634 ( 1.516 -9.649 -3.984) 10.549 12.118 ( 0.868 2.448 3.581) 4.424 12.381 ( -0.960 1.730 -2.670) 3.323 13.062 ( 2.688 7.746 1.691) 8.371 13.291 ( -1.440 8.021 -4.187) 9.162 13.451 ( 0.692 -1.349 0.844) 1.735 13.522 ( -3.087 -4.395 -5.408) 7.622 15.117 ( 6.380 2.589 2.813) 7.438 15.343 ( -5.718 -1.041 14.154) 15.301 15.420 ( -13.098 6.075 -0.404) 14.444 15.700 ( -0.504 6.651 0.831) 6.722 16.010 ( 2.255 -2.507 7.736) 8.439 16.568 ( 0.016 11.640 4.502) 12.480 16.643 ( 2.137 14.350 -2.792) 14.774 17.040 ( 4.153 12.156 -5.903) 14.137 17.296 ( -0.754 -9.863 -6.126) 11.635 17.655 ( -4.226 0.345 -2.297) 4.823 18.535 ( -3.316 -14.044 -4.373) 15.078 18.711 ( 7.447 -16.084 2.244) 17.866 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 6.209 4.541 -3.859) 8.606 1.934 ( 12.282 5.953 0.471) 13.657 2.217 ( -3.219 6.483 2.759) 7.746 2.372 ( -7.472 2.185 2.705) 8.241 2.567 ( 3.028 -2.137 7.603) 8.458 2.625 ( 6.032 0.394 -0.462) 6.063 2.888 ( -1.675 -2.573 3.590) 4.723 2.923 ( 4.676 13.584 -2.009) 14.506 3.100 ( 5.828 -3.411 3.706) 7.703 3.154 ( -1.146 2.334 -3.083) 4.033 3.469 ( -2.937 -5.517 -2.129) 6.602 3.724 ( 8.110 -7.334 8.828) 14.053 4.611 ( -0.555 -0.084 -15.484) 15.495 4.696 ( -3.003 -1.068 -10.474) 10.948 4.798 ( -5.313 -0.476 -5.302) 7.521 4.955 ( -3.852 0.424 -3.101) 4.964 5.271 ( 2.774 -7.797 2.591) 8.672 5.545 ( 1.347 1.618 -0.664) 2.208 5.602 ( 5.845 -7.183 -4.739) 10.403 5.915 ( 10.887 -4.681 -2.447) 12.100 6.658 ( -4.843 -0.593 2.396) 5.436 6.881 ( 2.165 -1.950 5.603) 6.315 7.186 ( 0.569 2.883 2.469) 3.838 7.317 ( -2.157 -3.957 -5.193) 6.876 7.397 ( 0.388 -1.807 1.327) 2.275 7.804 ( 6.447 -0.830 -0.392) 6.511 7.856 ( 0.898 -6.739 2.122) 7.122 8.315 ( 3.075 -10.148 1.638) 10.729 8.337 ( -1.279 -5.650 -2.427) 6.281 8.832 ( -0.799 -10.653 -5.955) 12.231 9.062 ( -2.997 5.643 -3.129) 7.114 9.236 ( -0.332 2.222 -2.651) 3.475 9.862 ( -0.311 7.895 6.622) 10.310 9.965 ( -1.708 6.982 2.812) 7.719 10.248 ( -4.452 6.027 4.580) 8.782 10.364 ( -1.754 2.520 6.128) 6.854 10.765 ( -3.067 8.289 -7.867) 11.832 10.919 ( 1.970 3.419 -2.706) 4.784 11.165 ( -5.210 -1.421 1.843) 5.706 11.245 ( -7.173 0.885 3.934) 8.229 11.576 ( 2.857 -4.833 -3.912) 6.843 11.767 ( 9.587 -4.871 4.286) 11.576 12.174 ( -0.163 2.477 4.461) 5.106 12.323 ( -0.397 1.834 -5.222) 5.549 13.119 ( 0.616 9.376 0.862) 9.436 13.186 ( -2.926 11.325 -3.645) 12.251 13.428 ( -0.549 -5.855 -4.457) 7.379 13.508 ( 3.438 -3.739 1.561) 5.314 15.097 ( -16.392 10.125 -1.272) 19.309 15.279 ( -0.813 3.655 8.139) 8.959 15.444 ( 0.833 -0.490 8.866) 8.919 15.684 ( -4.117 1.145 3.029) 5.238 16.106 ( -0.799 -1.278 3.927) 4.206 16.478 ( -6.668 1.719 3.088) 7.547 16.671 ( -1.907 7.643 -8.390) 11.508 17.085 ( 7.551 14.155 -3.785) 16.484 17.244 ( 0.624 -3.342 4.022) 5.267 17.605 ( -0.081 1.046 -1.231) 1.618 18.321 ( -8.490 -10.091 -11.451) 17.465 18.953 ( 13.482 -15.090 4.068) 20.640 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -1.405 12.412 -5.398) 13.608 1.919 ( -11.901 17.258 -6.379) 21.912 2.235 ( 12.626 5.870 -5.292) 14.896 2.470 ( 4.284 -2.924 8.394) 9.868 2.589 ( -4.721 3.780 -2.402) 6.507 2.722 ( -1.744 0.673 3.353) 3.839 2.822 ( -2.790 -0.643 -0.811) 2.976 2.965 ( 4.311 6.068 -1.822) 7.663 3.129 ( 2.049 -1.578 0.882) 2.732 3.240 ( 6.138 -1.276 3.006) 6.952 3.417 ( 0.654 -6.528 -2.304) 6.953 3.930 ( 5.618 -10.410 6.459) 13.478 4.492 ( 1.516 -2.197 -7.593) 8.048 4.550 ( 0.677 -0.264 -13.820) 13.839 4.735 ( -0.020 2.488 3.291) 4.126 4.874 ( -1.971 2.966 -0.581) 3.609 5.358 ( 1.451 -4.399 4.297) 6.318 5.547 ( -2.848 -0.025 0.016) 2.848 5.672 ( 10.545 -1.109 -2.943) 11.004 6.067 ( 10.677 -4.596 -2.829) 11.964 6.614 ( -1.845 -4.010 0.788) 4.484 7.015 ( 2.783 -5.577 7.844) 10.019 7.195 ( -1.063 -2.136 2.461) 3.427 7.269 ( 3.601 -3.591 -4.711) 6.932 7.481 ( 6.319 1.364 1.492) 6.634 7.822 ( -0.412 -9.135 0.178) 9.146 7.957 ( 5.951 1.543 0.209) 6.151 8.295 ( -0.107 -5.143 -1.704) 5.419 8.354 ( -3.733 -9.591 5.372) 11.609 8.714 ( -3.090 -11.917 -9.772) 15.718 8.958 ( -4.595 4.488 -3.997) 7.565 9.213 ( -1.545 0.608 0.556) 1.751 9.814 ( -5.839 6.762 -5.098) 10.286 9.930 ( -2.900 6.577 2.113) 7.492 10.250 ( -2.744 6.642 4.285) 8.367 10.417 ( -1.998 3.367 5.268) 6.563 10.635 ( -2.462 7.587 -4.598) 9.207 10.923 ( 1.886 5.330 -2.417) 6.149 11.106 ( -6.664 -2.189 4.313) 8.234 11.199 ( -3.479 2.935 4.526) 6.419 11.597 ( 3.358 -2.724 -1.547) 4.592 11.947 ( 8.208 -8.217 0.273) 11.617 12.154 ( -1.916 2.881 -5.557) 6.547 12.317 ( 0.806 0.994 5.319) 5.471 13.051 ( -1.802 14.718 -4.558) 15.513 13.197 ( 1.115 5.626 2.881) 6.418 13.410 ( 3.393 -6.253 -2.744) 7.625 13.584 ( 2.640 -2.490 2.051) 4.169 14.803 ( -17.209 12.093 0.635) 21.043 15.283 ( -7.932 -0.154 4.901) 9.325 15.583 ( 3.423 -2.093 5.264) 6.619 15.625 ( -7.277 3.059 4.199) 8.941 16.076 ( -1.313 -0.079 -2.351) 2.694 16.406 ( -6.289 -5.623 -4.014) 9.342 16.519 ( -2.011 2.330 -0.427) 3.107 17.122 ( 1.391 5.476 -2.238) 6.077 17.436 ( 5.873 6.887 13.269) 16.062 17.591 ( -1.739 6.022 1.065) 6.358 18.036 ( -4.109 -6.695 -18.373) 19.982 19.211 ( 12.047 -12.790 3.073) 17.837 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -7.937 19.888 -4.033) 21.790 1.580 ( -14.873 21.030 -9.846) 27.575 2.297 ( -7.166 14.082 -1.491) 15.870 2.474 ( 1.093 2.267 -5.614) 6.152 2.506 ( -3.544 10.604 -5.443) 12.435 2.667 ( 3.315 -3.383 6.926) 8.391 2.911 ( 2.952 -1.124 -0.527) 3.202 2.960 ( 1.878 -1.029 -1.802) 2.798 3.308 ( 10.943 -2.436 3.868) 11.860 3.360 ( 5.501 -1.551 0.998) 5.802 3.441 ( 3.586 -7.798 0.128) 8.584 4.047 ( 2.952 -12.916 1.568) 13.341 4.425 ( 0.886 -2.173 -8.120) 8.452 4.476 ( 0.836 -4.039 0.925) 4.227 4.824 ( 2.404 5.401 6.432) 8.736 4.878 ( 1.793 4.788 0.173) 5.116 5.359 ( -6.662 6.257 1.566) 9.273 5.490 ( -2.791 -4.204 1.127) 5.170 5.869 ( 13.367 -0.464 0.106) 13.375 6.210 ( 10.056 -7.540 -2.488) 12.813 6.617 ( 1.209 -6.093 0.151) 6.213 7.070 ( -2.930 -7.515 2.981) 8.600 7.269 ( 7.335 -2.500 -0.812) 7.792 7.341 ( 6.906 -5.738 1.502) 9.103 7.601 ( 6.687 3.488 0.157) 7.544 7.814 ( -0.854 -5.498 -0.098) 5.565 8.041 ( 4.120 -0.589 0.236) 4.168 8.268 ( -6.152 -8.017 3.670) 10.751 8.341 ( -2.039 -7.909 0.979) 8.226 8.519 ( -4.882 -8.879 -10.080) 14.292 8.832 ( -6.528 4.472 -0.592) 7.935 9.165 ( -5.793 -0.070 1.071) 5.891 9.677 ( -2.945 6.678 -3.896) 8.273 9.923 ( 1.137 2.956 0.391) 3.191 10.212 ( -3.124 6.400 -1.586) 7.296 10.380 ( -4.060 2.886 -1.653) 5.249 10.610 ( -0.012 5.523 2.369) 6.010 10.932 ( 1.652 7.914 -1.642) 8.250 11.014 ( -9.392 -1.764 3.110) 10.050 11.223 ( -0.077 4.873 2.849) 5.645 11.650 ( 3.225 -0.379 1.394) 3.533 12.022 ( -0.558 -4.616 -2.745) 5.399 12.076 ( 3.721 -2.615 -3.895) 5.988 12.417 ( 1.557 -2.161 6.888) 7.385 12.992 ( 0.467 12.486 -4.120) 13.157 13.263 ( 2.287 6.469 3.408) 7.661 13.471 ( 6.634 -4.739 -1.537) 8.296 13.630 ( 0.299 -2.088 1.705) 2.712 14.546 ( -16.856 10.093 3.877) 20.026 15.149 ( -9.861 1.894 -0.496) 10.054 15.493 ( -8.165 -4.675 0.033) 9.409 15.684 ( 1.727 1.411 2.099) 3.063 16.061 ( 1.828 -3.889 -1.448) 4.534 16.283 ( -3.360 -2.558 -0.516) 4.254 16.537 ( 1.948 0.524 0.428) 2.062 17.089 ( -3.331 1.477 -1.792) 4.061 17.437 ( -14.610 -4.653 4.843) 16.080 17.726 ( 10.799 24.982 -2.969) 27.378 17.863 ( 3.894 -5.631 -3.807) 7.834 19.409 ( 8.835 -11.129 0.835) 14.234 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -11.737 20.880 2.985) 24.138 1.329 ( -3.391 27.218 -3.839) 27.696 2.187 ( -4.965 19.794 3.813) 20.761 2.292 ( -9.082 13.111 3.780) 16.391 2.544 ( 7.895 1.560 -13.798) 15.973 2.780 ( 1.889 -3.459 4.957) 6.333 2.890 ( 3.205 1.730 -5.982) 7.003 3.049 ( 2.764 -1.954 4.976) 6.018 3.390 ( 2.869 -2.636 -5.074) 6.397 3.450 ( 3.299 -8.113 -0.237) 8.761 3.548 ( 5.150 -3.855 -0.190) 6.436 4.075 ( 1.349 -14.111 -2.060) 14.324 4.437 ( 2.698 -2.345 5.031) 6.171 4.526 ( -0.086 -4.727 6.055) 7.682 4.891 ( 1.481 6.081 -2.179) 6.628 4.956 ( 2.169 7.000 8.085) 10.912 5.219 ( -8.832 10.844 -0.028) 13.986 5.463 ( -2.901 -4.309 1.647) 5.449 6.066 ( 9.362 -2.162 -0.685) 9.632 6.327 ( 6.857 -10.934 -2.986) 13.247 6.646 ( 1.475 -6.341 0.442) 6.525 7.034 ( -2.584 -9.208 -0.770) 9.595 7.369 ( 8.566 1.105 -5.656) 10.324 7.467 ( 3.830 -8.074 1.346) 9.037 7.711 ( 7.312 2.383 -1.910) 7.924 7.782 ( -2.716 0.695 0.572) 2.861 8.103 ( 1.472 -3.909 0.867) 4.266 8.165 ( -7.559 -4.958 -0.550) 9.057 8.217 ( -5.774 -7.455 -5.387) 10.860 8.443 ( 0.833 -8.618 -0.923) 8.707 8.782 ( -3.055 2.907 8.386) 9.387 9.078 ( -6.071 -0.784 3.462) 7.033 9.632 ( -0.259 7.228 0.311) 7.239 9.968 ( 3.884 0.760 -1.860) 4.373 10.153 ( -0.963 4.177 -1.694) 4.609 10.283 ( -2.442 2.424 -4.369) 5.561 10.650 ( 0.999 4.521 2.040) 5.059 10.849 ( -7.876 2.130 -1.921) 8.382 10.959 ( -0.131 6.836 0.794) 6.883 11.229 ( -1.062 5.508 -0.704) 5.654 11.733 ( 3.223 0.492 2.303) 3.991 11.959 ( -2.645 -0.045 1.295) 2.946 12.140 ( 5.064 -7.779 -0.946) 9.330 12.486 ( -1.298 -5.502 3.819) 6.822 12.969 ( 1.782 10.372 -3.147) 10.984 13.317 ( 0.595 8.383 0.286) 8.409 13.578 ( 4.080 -1.559 0.736) 4.430 13.659 ( 4.888 -3.189 0.094) 5.837 14.320 ( -17.460 7.384 6.593) 20.071 15.007 ( -4.274 2.941 -1.315) 5.352 15.382 ( -4.369 -4.331 -0.323) 6.160 15.723 ( 2.621 -3.822 -0.772) 4.698 16.082 ( 1.612 -6.550 -0.294) 6.752 16.245 ( -3.651 -0.610 1.699) 4.072 16.572 ( 4.215 0.650 -4.572) 6.252 16.935 ( -10.140 -3.288 -4.475) 11.561 17.285 ( -3.966 4.775 -0.256) 6.213 17.721 ( 5.531 14.189 -12.674) 19.813 18.076 ( 3.684 5.455 17.892) 19.064 19.515 ( 4.463 -10.020 -2.079) 11.164 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 3.365 19.131 4.482) 19.935 1.832 ( 4.900 18.681 -1.530) 19.374 2.255 ( 5.858 -2.373 4.337) 7.665 2.496 ( 0.237 -1.757 -6.620) 6.854 2.618 ( -2.850 5.051 -4.705) 7.468 2.878 ( -1.452 7.775 1.826) 8.118 2.965 ( -0.260 5.494 -2.340) 5.977 3.133 ( -1.769 -9.544 -7.182) 12.075 3.205 ( 1.118 4.011 3.997) 5.772 3.346 ( 1.660 -2.983 1.491) 3.725 3.410 ( -2.889 -6.660 -5.868) 9.335 3.783 ( 0.553 -12.998 1.430) 13.088 4.534 ( 0.334 -1.492 12.604) 12.696 4.579 ( 4.648 -2.415 15.358) 16.227 5.031 ( -1.057 9.486 -3.921) 10.318 5.162 ( -4.983 6.001 0.978) 7.861 5.391 ( 2.800 6.463 3.841) 8.022 5.418 ( -3.269 3.576 2.807) 5.599 6.061 ( 0.624 -3.234 -3.140) 4.550 6.120 ( 1.123 -8.823 -3.722) 9.642 6.545 ( -1.541 -3.872 0.352) 4.182 6.760 ( -0.624 -11.120 -3.436) 11.655 7.320 ( -2.215 -1.766 -5.106) 5.839 7.401 ( 2.215 -2.458 -6.993) 7.736 7.782 ( -0.230 1.013 -0.289) 1.079 7.831 ( -1.931 1.647 -0.740) 2.643 7.968 ( 0.547 -5.216 0.215) 5.249 8.008 ( -2.997 -1.500 -0.153) 3.355 8.085 ( 4.085 -3.580 1.456) 5.624 8.264 ( 3.490 -8.400 -1.800) 9.273 8.916 ( -0.238 1.019 11.800) 11.847 8.998 ( -2.116 -3.288 7.193) 8.187 9.822 ( 2.097 6.230 -0.257) 6.578 9.940 ( 0.574 -0.914 -5.569) 5.672 10.193 ( 1.181 3.251 -3.668) 5.042 10.298 ( 1.506 0.000 -3.452) 3.766 10.722 ( -1.797 5.435 0.792) 5.779 10.840 ( -0.626 1.052 2.929) 3.175 11.102 ( 0.273 5.791 -1.448) 5.976 11.240 ( -1.712 0.421 -3.581) 3.991 11.820 ( -0.888 3.506 3.104) 4.766 11.949 ( 3.555 -3.484 1.651) 5.245 12.118 ( 2.336 -0.666 1.421) 2.814 12.304 ( -4.784 -7.255 -0.023) 8.690 13.185 ( 1.092 9.813 -1.550) 9.994 13.396 ( -2.618 2.670 -4.634) 5.955 13.632 ( -0.172 0.891 4.247) 4.343 13.684 ( 0.937 -3.647 4.149) 5.602 14.437 ( -2.317 15.945 2.481) 16.302 14.980 ( 0.791 -4.083 -4.282) 5.969 15.282 ( 0.011 -1.731 8.933) 9.099 15.573 ( -0.988 -9.034 -0.094) 9.088 16.010 ( 2.062 -0.945 -4.127) 4.709 16.148 ( -1.633 -3.251 -4.079) 5.466 16.537 ( -2.870 2.465 -9.041) 9.801 16.704 ( -0.111 -4.487 -4.836) 6.599 17.473 ( 2.618 9.246 5.193) 10.923 17.788 ( 3.122 -2.689 1.310) 4.324 18.564 ( -0.738 17.776 7.161) 19.179 19.268 ( -0.647 -13.306 -3.618) 13.804 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 7.891 19.557 -0.598) 21.097 2.004 ( 11.003 12.419 4.981) 17.324 2.370 ( -1.643 7.538 -11.377) 13.747 2.430 ( 8.130 -0.428 1.508) 8.280 2.530 ( -4.355 -5.934 -2.109) 7.657 2.822 ( -5.337 2.686 1.255) 6.105 2.927 ( -6.066 3.525 -0.855) 7.068 2.965 ( -2.698 -12.283 -11.850) 17.279 3.190 ( -3.453 -1.319 1.110) 3.860 3.348 ( -1.830 -2.422 2.697) 4.060 3.434 ( 1.534 0.690 7.165) 7.360 3.762 ( -2.625 -9.495 -2.005) 10.053 4.699 ( 1.351 3.167 13.575) 14.005 4.836 ( 2.633 1.190 11.660) 12.013 4.936 ( -3.532 6.883 1.005) 7.801 5.069 ( -5.165 5.811 -1.080) 7.849 5.374 ( -5.141 1.813 3.483) 6.469 5.506 ( 2.834 4.515 4.826) 7.190 5.971 ( -5.806 -2.576 -4.230) 7.632 6.069 ( -1.196 -8.734 -4.941) 10.106 6.518 ( -0.937 -3.677 0.044) 3.794 6.753 ( 4.719 -10.620 -3.256) 12.069 7.163 ( -8.073 1.121 -5.318) 9.732 7.326 ( -2.235 -5.554 -4.979) 7.787 7.721 ( -5.438 1.892 -0.984) 5.841 7.770 ( -3.383 -0.771 0.142) 3.473 7.951 ( -1.058 -4.373 -1.581) 4.769 7.986 ( -1.191 -5.200 -0.054) 5.334 8.214 ( 9.456 0.109 0.628) 9.477 8.389 ( 10.926 -6.601 0.241) 12.767 9.067 ( 2.443 -0.987 9.518) 9.876 9.101 ( 0.487 -2.768 11.628) 11.963 9.853 ( 2.861 3.858 -2.139) 5.258 9.877 ( 1.340 0.548 -7.362) 7.503 10.164 ( 0.907 3.803 -4.028) 5.613 10.282 ( 2.002 -0.768 -4.985) 5.426 10.758 ( 2.920 6.718 3.101) 7.955 10.876 ( 1.648 0.913 1.723) 2.553 11.093 ( -0.101 4.355 -0.488) 4.383 11.164 ( -1.164 1.639 -4.111) 4.576 11.790 ( -5.222 4.567 1.693) 7.141 12.004 ( -1.192 -3.413 1.222) 3.816 12.205 ( -2.489 -4.932 -2.846) 6.215 12.226 ( 3.705 -3.533 5.969) 7.864 13.204 ( 2.723 7.873 -0.418) 8.341 13.297 ( -2.178 4.226 -4.172) 6.325 13.638 ( -3.490 0.803 2.031) 4.117 13.687 ( -6.385 -2.213 5.969) 9.016 14.541 ( 10.072 14.991 1.907) 18.161 14.988 ( 4.920 -4.868 -3.748) 7.870 15.426 ( 4.864 0.095 7.803) 9.195 15.541 ( -2.006 -4.873 -1.329) 5.435 15.993 ( 1.109 -3.770 -5.663) 6.892 16.096 ( 3.224 -5.257 -3.919) 7.307 16.409 ( 0.098 3.735 -5.956) 7.031 16.705 ( 6.136 -7.898 -4.941) 11.156 17.578 ( 1.651 11.476 6.123) 13.112 17.819 ( 0.733 5.003 -2.379) 5.588 18.609 ( -5.868 8.968 10.949) 15.321 19.157 ( -6.215 -12.479 -5.756) 15.083 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 6.035 14.687 -1.237) 15.926 2.184 ( 3.458 9.312 -1.848) 10.104 2.236 ( 4.492 6.476 -13.176) 15.353 2.361 ( -11.770 -3.597 -4.703) 13.176 2.498 ( 1.706 1.968 -1.393) 2.953 2.684 ( -10.027 0.633 -3.760) 10.728 2.830 ( -4.295 -6.930 1.696) 8.327 2.849 ( 1.101 -9.907 -1.446) 10.072 3.208 ( 0.069 2.613 4.081) 4.846 3.350 ( -2.543 0.409 2.701) 3.732 3.528 ( -0.831 -2.719 7.097) 7.645 3.661 ( -4.648 -6.740 -4.414) 9.301 4.740 ( -4.394 9.988 -3.030) 11.325 4.857 ( -1.922 6.967 4.394) 8.458 5.016 ( -1.037 2.132 6.396) 6.821 5.089 ( 1.989 -0.629 9.224) 9.457 5.345 ( -4.608 0.937 7.659) 8.987 5.571 ( -0.814 -0.542 3.270) 3.413 5.801 ( -7.941 -2.671 -4.406) 9.466 5.977 ( -3.441 -10.800 -4.049) 12.036 6.544 ( 3.120 0.670 1.389) 3.480 6.839 ( 8.012 -7.686 -1.120) 11.159 6.979 ( -6.564 2.342 -3.350) 7.732 7.227 ( -4.786 -9.049 -1.842) 10.402 7.622 ( -5.212 4.210 -0.048) 6.700 7.720 ( -2.967 -2.573 0.670) 3.985 7.930 ( 1.360 -6.358 -2.987) 7.156 7.951 ( -1.947 -4.950 -1.001) 5.413 8.403 ( 9.852 2.531 3.818) 10.865 8.569 ( 9.435 -4.761 -0.201) 10.570 9.189 ( 1.343 -1.643 5.798) 6.174 9.220 ( -0.597 -1.868 8.736) 8.953 9.806 ( 1.484 2.083 -8.819) 9.182 9.860 ( 2.733 0.751 -6.657) 7.235 10.161 ( 2.384 4.663 -1.282) 5.392 10.263 ( 2.189 0.596 -4.010) 4.608 10.837 ( 3.418 5.230 0.913) 6.314 10.935 ( 3.495 1.268 -0.530) 3.755 11.080 ( 0.279 4.971 1.180) 5.117 11.164 ( 2.339 0.823 1.937) 3.147 11.710 ( -5.496 1.455 0.734) 5.732 11.907 ( -9.094 -4.623 -2.003) 10.397 12.143 ( 0.291 1.868 -2.786) 3.367 12.380 ( 3.512 -4.976 6.354) 8.801 13.245 ( 0.188 6.267 -2.540) 6.764 13.274 ( 4.686 5.966 1.858) 7.811 13.572 ( -5.517 0.206 0.087) 5.522 13.632 ( -7.462 -1.664 5.601) 9.477 14.756 ( 12.560 11.059 0.688) 16.750 15.037 ( 5.635 -4.289 -3.806) 8.040 15.461 ( -2.039 3.803 -4.306) 6.096 15.611 ( 4.928 0.203 8.216) 9.583 15.913 ( 0.429 -2.245 -8.314) 8.622 16.190 ( 9.319 -5.138 -0.955) 10.684 16.458 ( 8.496 -0.943 2.895) 9.025 16.784 ( 8.993 -10.010 -4.031) 14.047 17.648 ( -0.285 13.117 3.217) 13.509 17.751 ( -2.615 12.102 -6.089) 13.797 18.623 ( -8.649 -0.931 13.016) 15.656 18.939 ( -10.857 -11.900 -7.202) 17.645 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -2.627 8.519 -3.706) 9.654 2.063 ( -9.029 2.830 -5.426) 10.908 2.092 ( -7.589 3.709 -6.347) 10.566 2.227 ( 6.602 3.991 -8.985) 11.843 2.492 ( -2.738 -3.054 0.107) 4.104 2.596 ( -0.780 4.348 1.264) 4.595 2.768 ( 0.246 -7.058 -0.811) 7.109 2.888 ( -2.803 -6.696 4.358) 8.466 3.225 ( -2.284 5.902 0.912) 6.394 3.323 ( -2.246 0.423 1.008) 2.498 3.477 ( -6.217 -2.883 -5.218) 8.613 3.588 ( -3.397 -5.319 3.634) 7.282 4.683 ( 1.127 6.021 -1.233) 6.249 4.820 ( -0.936 4.377 -1.229) 4.642 5.053 ( -2.581 0.190 0.262) 2.601 5.223 ( 2.378 0.391 10.787) 11.053 5.374 ( -3.681 1.287 5.872) 7.049 5.554 ( -3.910 -6.463 -0.013) 7.554 5.633 ( -6.348 -2.183 -2.664) 7.222 5.863 ( -6.553 -12.074 -1.799) 13.855 6.618 ( 2.878 4.856 0.357) 5.656 6.898 ( 0.099 4.010 3.719) 5.471 7.003 ( 9.607 -7.055 -1.056) 11.966 7.148 ( -3.138 -8.791 1.543) 9.461 7.550 ( -4.074 4.967 1.001) 6.502 7.691 ( -1.347 -2.488 0.294) 2.844 7.897 ( -2.942 -2.234 -1.505) 3.989 7.916 ( 0.967 -7.930 -3.433) 8.695 8.606 ( 6.710 1.563 6.111) 9.209 8.667 ( 4.309 -1.884 -3.850) 6.078 9.238 ( -0.297 0.928 3.527) 3.659 9.317 ( 3.888 -1.567 5.094) 6.597 9.725 ( -0.319 2.096 -6.710) 7.037 9.798 ( 0.098 -0.864 -8.442) 8.487 10.164 ( 0.036 4.771 -3.191) 5.740 10.288 ( 4.286 0.495 -0.704) 4.371 10.916 ( 4.754 5.342 1.612) 7.330 10.981 ( 5.050 3.727 -1.233) 6.396 11.155 ( 3.177 3.132 4.321) 6.211 11.244 ( 2.781 -1.041 3.074) 4.275 11.626 ( -5.192 -1.706 -0.582) 5.496 11.711 ( -9.311 -3.910 -3.080) 10.558 12.132 ( 0.703 6.224 -1.183) 6.374 12.457 ( -0.741 -5.526 3.155) 6.406 13.225 ( -0.078 7.603 -2.025) 7.868 13.384 ( 4.390 2.921 2.137) 5.689 13.465 ( -5.174 1.341 -1.766) 5.629 13.593 ( -4.352 -3.404 5.680) 7.924 14.933 ( 8.669 5.072 -2.371) 10.320 15.098 ( 5.634 -3.729 -0.402) 6.768 15.386 ( -2.496 7.752 -1.070) 8.214 15.753 ( 0.308 -6.195 2.527) 6.698 15.897 ( 8.343 11.157 0.025) 13.932 16.346 ( 11.849 3.521 -2.855) 12.687 16.726 ( 13.963 -9.464 8.021) 18.678 16.896 ( 8.506 -9.587 -2.616) 13.080 17.563 ( -3.712 15.045 -10.730) 18.848 17.687 ( -2.829 12.657 2.710) 13.250 18.594 ( -10.656 -8.764 3.986) 14.361 18.660 ( -12.808 -11.226 -0.670) 17.044 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -5.877 8.526 3.286) 10.864 1.923 ( -0.601 4.221 -9.189) 10.130 1.938 ( -6.097 1.753 -0.205) 6.347 2.217 ( 3.985 -3.563 -5.527) 7.689 2.442 ( -2.340 1.152 -2.513) 3.621 2.629 ( 2.230 0.208 4.470) 4.999 2.750 ( -5.878 -3.556 1.753) 7.090 2.878 ( -2.398 -3.968 3.276) 5.677 3.172 ( -2.497 5.519 -0.045) 6.058 3.280 ( -4.181 -1.836 -4.241) 6.232 3.351 ( -1.123 4.871 -0.535) 5.027 3.562 ( -3.343 -5.541 2.051) 6.789 4.729 ( 5.135 0.625 -1.606) 5.416 4.828 ( 2.560 -1.750 -0.650) 3.168 5.010 ( -0.409 3.041 -1.021) 3.234 5.324 ( -6.466 -1.471 1.193) 6.738 5.347 ( 1.795 -3.695 2.227) 4.673 5.421 ( -4.361 -5.571 -8.224) 10.848 5.557 ( -4.406 -1.946 2.721) 5.532 5.720 ( -8.052 -9.946 -1.163) 12.850 6.645 ( 1.309 4.659 -0.212) 4.844 6.980 ( 0.836 0.046 3.518) 3.616 7.108 ( 5.121 -6.786 1.770) 8.683 7.212 ( 3.610 -1.062 4.342) 5.746 7.517 ( -0.168 5.138 0.625) 5.179 7.666 ( -1.852 -1.843 -0.669) 2.697 7.822 ( -3.693 -0.000 -1.341) 3.929 7.887 ( 0.281 -8.657 -3.018) 9.172 8.627 ( 0.488 1.024 -8.702) 8.775 8.728 ( 1.183 -2.833 3.129) 4.383 9.303 ( 3.124 5.647 2.734) 7.009 9.472 ( 6.036 2.066 7.329) 9.717 9.653 ( -2.520 1.660 -6.107) 6.812 9.690 ( -0.132 -2.304 -3.744) 4.398 10.127 ( -0.674 4.207 -0.414) 4.280 10.364 ( 4.654 -2.132 0.151) 5.121 11.018 ( 3.628 6.230 2.768) 7.723 11.088 ( 6.405 4.125 2.235) 7.940 11.247 ( 2.384 1.352 2.623) 3.794 11.285 ( 1.077 -0.028 -3.060) 3.244 11.504 ( -6.269 -1.228 -0.533) 6.410 11.579 ( -4.788 -5.728 -1.226) 7.565 12.139 ( 0.780 6.970 0.373) 7.024 12.445 ( -2.780 -4.471 1.122) 5.383 13.192 ( -0.898 7.069 -1.893) 7.373 13.351 ( -3.494 -1.224 -1.604) 4.035 13.470 ( 2.537 2.711 -0.721) 3.782 13.606 ( -1.776 -3.640 4.191) 5.828 15.006 ( 5.428 4.057 -2.753) 7.314 15.204 ( 1.871 -3.780 4.793) 6.385 15.379 ( 1.023 6.726 3.511) 7.656 15.722 ( -3.065 -7.957 0.476) 8.541 16.127 ( 10.655 19.537 5.565) 22.939 16.517 ( 13.742 9.442 -4.400) 17.244 16.989 ( 4.034 -5.515 -0.495) 6.851 17.002 ( 6.872 -5.195 4.110) 9.545 17.403 ( 2.203 6.993 -10.896) 13.133 17.674 ( -1.673 8.921 3.462) 9.714 18.297 ( -13.424 -11.625 -9.372) 20.079 18.572 ( -9.885 -13.128 7.747) 18.168 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -4.855 5.017 -4.592) 8.356 1.802 ( -3.817 0.130 -4.012) 5.539 1.995 ( 7.222 7.726 8.374) 13.490 2.291 ( 4.981 -6.479 2.697) 8.605 2.398 ( 2.150 3.006 -1.934) 4.171 2.653 ( -6.078 -3.740 2.024) 7.418 2.737 ( 1.650 -1.240 6.505) 6.825 2.857 ( -3.372 -0.486 2.644) 4.313 3.143 ( -2.407 2.372 -2.448) 4.173 3.214 ( 2.593 3.152 0.975) 4.197 3.359 ( 0.259 4.839 1.643) 5.117 3.525 ( -2.816 -4.665 0.183) 5.452 4.778 ( 3.621 -1.577 -3.906) 5.555 4.861 ( 2.063 -6.229 -0.703) 6.599 5.039 ( 4.846 3.951 -2.146) 6.611 5.177 ( -9.192 -5.177 -2.929) 10.949 5.237 ( -1.989 -1.809 -12.398) 12.686 5.355 ( 0.198 -4.465 -4.965) 6.681 5.532 ( -2.102 -3.395 2.398) 4.658 5.604 ( -3.438 -7.852 -0.616) 8.594 6.670 ( 1.124 3.832 1.110) 4.145 6.988 ( -1.328 -3.533 0.195) 3.779 7.187 ( -1.631 -2.905 1.718) 3.749 7.268 ( 0.433 1.436 1.560) 2.165 7.583 ( 2.502 1.095 3.207) 4.213 7.615 ( -0.053 3.122 -1.639) 3.527 7.754 ( -2.753 -0.379 -1.237) 3.042 7.882 ( 2.060 -9.241 -0.172) 9.469 8.523 ( 1.031 2.876 -10.807) 11.230 8.738 ( -0.201 -6.715 -1.551) 6.894 9.331 ( -1.263 7.218 -1.234) 7.431 9.493 ( -3.322 2.548 -9.317) 10.214 9.682 ( 6.340 4.922 10.834) 13.483 9.770 ( 3.220 -2.420 8.967) 9.830 10.151 ( 0.644 3.568 4.618) 5.872 10.432 ( 2.039 -3.589 1.208) 4.301 11.060 ( -1.440 6.027 -0.224) 6.200 11.182 ( -0.572 5.245 -6.920) 8.702 11.213 ( 1.827 1.708 2.397) 3.464 11.335 ( 3.085 -0.640 2.381) 3.949 11.439 ( -3.133 -1.494 0.914) 3.589 11.499 ( -1.442 -5.987 -2.151) 6.523 12.166 ( 0.741 6.307 2.000) 6.658 12.412 ( -2.059 -2.829 0.711) 3.571 13.165 ( 0.362 5.156 -1.573) 5.403 13.314 ( 0.091 -1.985 0.235) 2.001 13.469 ( 0.587 1.745 -3.773) 4.198 13.598 ( -2.926 -1.839 0.846) 3.558 15.085 ( 5.145 5.333 1.279) 7.520 15.253 ( -3.217 -0.967 7.774) 8.468 15.479 ( 0.981 1.009 7.376) 7.509 15.701 ( -0.913 -6.894 3.571) 7.818 16.256 ( -0.994 21.584 -0.440) 21.612 16.722 ( 14.262 13.693 -1.504) 19.828 16.964 ( -5.116 10.270 -1.336) 11.551 17.051 ( 1.322 -8.668 -1.105) 8.838 17.367 ( 4.114 3.393 -11.540) 12.713 17.765 ( 0.571 3.765 9.381) 10.124 18.032 ( -0.734 -18.199 -9.251) 20.428 18.472 ( -8.890 -15.154 2.393) 17.731 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 2.552 4.990 -4.001) 6.887 1.783 ( 8.366 -0.365 -4.180) 9.359 2.208 ( 2.114 2.862 9.977) 10.592 2.358 ( 0.649 -5.351 4.686) 7.142 2.519 ( 7.667 4.416 3.337) 9.456 2.609 ( -2.616 2.025 2.071) 3.903 2.813 ( -1.753 -2.739 7.100) 7.809 2.868 ( 1.321 -4.773 2.717) 5.649 3.118 ( 1.919 8.753 0.085) 8.961 3.257 ( 0.886 1.904 -2.320) 3.130 3.419 ( 1.501 0.304 5.834) 6.032 3.479 ( -1.021 -3.039 -0.046) 3.207 4.754 ( 1.079 0.182 -6.716) 6.805 4.858 ( -2.867 -4.344 -4.460) 6.855 4.977 ( -2.529 -1.497 -12.450) 12.792 4.997 ( -1.117 3.393 -7.002) 7.860 5.153 ( 0.101 -1.598 -2.804) 3.229 5.313 ( 5.688 -9.779 -6.456) 13.026 5.531 ( -0.049 -2.821 0.486) 2.863 5.617 ( 5.154 -8.597 0.193) 10.026 6.706 ( 0.163 3.531 3.040) 4.663 6.946 ( -3.239 1.048 -1.303) 3.646 7.131 ( -3.775 -4.938 0.996) 6.295 7.261 ( -2.668 -1.624 -0.361) 3.144 7.528 ( -4.947 3.366 0.980) 6.063 7.698 ( -1.641 -3.833 0.508) 4.200 7.744 ( 7.682 3.951 -0.247) 8.642 7.952 ( 3.382 -9.887 3.729) 11.094 8.427 ( 2.378 3.421 -11.361) 12.101 8.696 ( 0.212 -8.770 -5.830) 10.534 9.266 ( -3.581 5.422 -2.015) 6.804 9.360 ( -2.475 2.010 -5.588) 6.433 9.888 ( 2.058 4.618 11.435) 12.503 9.944 ( 3.349 1.104 10.596) 11.167 10.244 ( 1.330 3.757 8.273) 9.182 10.445 ( -2.349 -1.499 1.427) 3.130 10.989 ( -2.073 4.389 -3.947) 6.256 11.077 ( -1.183 5.458 -8.537) 10.201 11.217 ( -4.280 -0.706 1.088) 4.472 11.314 ( -5.677 -2.008 1.199) 6.139 11.491 ( 3.651 -2.713 -2.599) 5.239 11.515 ( 6.216 -0.714 4.066) 7.462 12.207 ( 0.160 5.516 3.877) 6.744 12.390 ( -1.031 -1.222 -0.661) 1.730 13.176 ( 2.595 3.139 -0.715) 4.135 13.336 ( 2.156 -5.643 -2.317) 6.470 13.427 ( 0.041 4.804 -2.008) 5.207 13.529 ( -4.656 1.462 -1.486) 5.102 15.189 ( 2.499 3.663 4.339) 6.204 15.296 ( -3.332 -2.081 9.690) 10.456 15.523 ( -5.229 4.467 7.821) 10.415 15.785 ( 1.351 -4.313 6.839) 8.197 16.129 ( -7.873 17.231 -2.993) 19.179 16.755 ( -7.794 5.764 -3.931) 10.460 16.906 ( -2.510 1.728 -6.168) 6.880 17.055 ( -0.791 -4.289 2.605) 5.080 17.341 ( 10.748 13.819 -6.927) 18.827 17.736 ( -3.128 8.973 -0.966) 9.552 18.162 ( 10.373 -20.580 -1.055) 23.071 18.364 ( -0.650 -16.597 -0.201) 16.611 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 12.029 7.412 -4.031) 14.693 1.990 ( 18.051 -1.126 -0.311) 18.088 2.286 ( -0.937 1.696 6.304) 6.595 2.457 ( 1.846 -4.026 4.655) 6.425 2.525 ( -4.444 7.626 0.101) 8.827 2.675 ( 1.890 3.551 3.990) 5.666 2.816 ( -4.013 -3.941 1.985) 5.965 2.970 ( 3.160 -7.573 6.439) 10.431 3.171 ( 1.572 6.089 0.727) 6.330 3.197 ( -1.599 1.962 -4.751) 5.383 3.419 ( -1.789 1.634 0.022) 2.423 3.592 ( 4.440 -4.914 7.456) 9.972 4.642 ( -0.655 3.237 -17.088) 17.404 4.693 ( 0.937 0.786 -11.892) 11.955 4.819 ( -3.016 2.245 -3.212) 4.945 4.990 ( 1.077 1.165 -3.226) 3.595 5.120 ( 2.278 -3.901 -0.216) 4.523 5.397 ( 8.239 -11.042 -3.010) 14.102 5.559 ( 4.043 -0.476 -0.304) 4.083 5.749 ( 9.547 -9.826 0.052) 13.700 6.716 ( -4.374 5.635 2.006) 7.410 6.884 ( -1.015 1.860 1.007) 2.346 7.123 ( 0.021 -8.444 2.013) 8.680 7.181 ( -6.216 -4.718 0.315) 7.810 7.490 ( 0.117 6.401 0.685) 6.438 7.678 ( -0.388 -4.301 -0.100) 4.320 7.865 ( 5.566 0.930 1.146) 5.758 8.056 ( 1.570 -10.290 6.426) 12.233 8.345 ( 2.565 2.892 -10.536) 11.223 8.614 ( -0.181 -9.383 -8.803) 12.867 9.177 ( -4.316 4.808 -2.172) 6.817 9.274 ( -3.073 0.594 -1.986) 3.706 9.992 ( -1.943 4.634 6.144) 7.937 10.062 ( -1.890 1.889 5.445) 6.066 10.342 ( -2.235 4.237 7.391) 8.808 10.427 ( -1.717 1.969 5.566) 6.149 10.913 ( -2.183 4.821 -6.250) 8.189 10.975 ( 1.378 1.813 -6.043) 6.458 11.146 ( -4.380 0.079 1.016) 4.497 11.239 ( -5.875 -1.807 3.474) 7.060 11.532 ( 4.628 0.974 -2.299) 5.258 11.670 ( 7.049 -4.161 2.302) 8.503 12.251 ( -1.141 4.245 4.716) 6.447 12.350 ( -1.436 0.422 -2.688) 3.076 13.229 ( 3.621 1.323 0.212) 3.861 13.297 ( 1.549 -4.147 -7.028) 8.306 13.411 ( -4.500 7.100 -1.747) 8.585 13.480 ( 1.958 1.095 2.617) 3.447 15.227 ( -4.177 2.879 3.918) 6.410 15.346 ( -7.296 -2.401 12.555) 14.718 15.504 ( -3.854 10.895 1.613) 11.668 15.782 ( -7.006 4.501 3.699) 9.111 16.079 ( -0.853 1.349 6.070) 6.277 16.515 ( -11.536 -3.390 -7.846) 14.358 16.702 ( -9.149 1.417 -4.894) 10.472 17.054 ( -2.691 -8.004 2.536) 8.817 17.491 ( 7.044 15.478 -2.562) 17.197 17.769 ( 9.426 15.295 0.565) 17.975 18.077 ( -3.769 -12.778 -11.712) 17.739 18.590 ( 15.990 -19.035 4.580) 25.278 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 7.488 13.196 -4.047) 15.703 2.252 ( 1.886 10.571 -2.853) 11.111 2.342 ( 4.366 2.634 -7.158) 8.789 2.390 ( 5.323 -0.064 6.585) 8.468 2.615 ( -1.615 -2.626 -4.939) 5.822 2.664 ( 3.388 -3.661 3.550) 6.122 2.789 ( -3.567 0.350 6.846) 7.728 3.062 ( 2.444 -5.520 2.461) 6.519 3.150 ( -1.065 -1.814 3.257) 3.878 3.183 ( 0.871 2.987 -2.210) 3.816 3.381 ( -2.170 5.290 -0.065) 5.718 3.725 ( 2.385 -8.705 4.927) 10.283 4.466 ( 0.449 0.319 -12.257) 12.270 4.542 ( 0.674 -0.961 -16.982) 17.022 4.838 ( 3.215 6.778 4.623) 8.812 4.979 ( 2.366 7.230 -1.301) 7.718 5.220 ( 5.012 -6.549 4.234) 9.270 5.470 ( 3.297 -8.047 -1.959) 8.915 5.677 ( 10.058 1.301 0.127) 10.142 5.911 ( 9.774 -9.408 -0.788) 13.589 6.621 ( -6.212 4.893 0.364) 7.916 6.932 ( 0.633 -3.419 2.404) 4.227 7.100 ( -3.131 -5.392 3.546) 7.173 7.163 ( 3.152 -5.210 0.362) 6.100 7.548 ( 5.198 3.678 0.459) 6.384 7.687 ( 0.569 -3.612 1.519) 3.960 7.957 ( 3.531 -0.442 1.845) 4.009 8.133 ( -2.307 -8.555 7.788) 11.797 8.272 ( 1.746 0.803 -8.813) 9.020 8.493 ( -1.468 -8.891 -10.143) 13.568 9.068 ( -6.134 5.163 -1.762) 8.209 9.206 ( -4.625 -1.280 0.934) 4.889 9.944 ( -5.071 5.278 -3.312) 8.034 10.021 ( -4.573 2.039 0.380) 5.021 10.351 ( -4.210 4.370 4.441) 7.520 10.479 ( -2.423 0.970 5.481) 6.071 10.799 ( -2.345 6.883 -4.944) 8.793 10.971 ( 0.926 -1.609 -0.129) 1.861 11.103 ( -3.113 2.998 2.064) 4.790 11.224 ( -1.122 -0.761 4.448) 4.650 11.590 ( 5.051 2.053 -1.700) 5.712 11.789 ( 6.241 -6.675 -1.131) 9.208 12.229 ( -3.435 3.792 -2.568) 5.724 12.325 ( -1.450 -0.315 3.776) 4.057 13.250 ( 1.914 1.097 -3.522) 4.156 13.302 ( 1.401 -2.180 -0.995) 2.776 13.342 ( 1.396 8.963 -0.396) 9.079 13.549 ( 1.992 -1.042 2.335) 3.241 15.111 ( -14.161 15.244 1.539) 20.864 15.292 ( -10.680 1.277 7.923) 13.360 15.461 ( -2.721 -4.106 -0.230) 4.931 15.717 ( -7.945 -1.171 3.654) 8.823 16.108 ( -2.447 3.060 2.132) 4.460 16.279 ( -6.068 -5.143 -3.636) 8.746 16.575 ( -3.547 4.392 1.503) 5.842 17.033 ( -5.160 -11.995 5.222) 14.063 17.494 ( -0.092 6.574 -3.930) 7.660 17.860 ( -4.259 -7.071 -9.901) 12.891 18.025 ( 17.073 21.864 -2.357) 27.840 18.893 ( 14.279 -17.231 3.414) 22.637 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -5.266 17.277 -3.831) 18.464 2.008 ( -8.913 18.227 -8.491) 21.995 2.359 ( -5.519 -3.870 -10.757) 12.694 2.501 ( 4.008 -6.337 0.676) 7.528 2.598 ( 11.555 6.212 -0.993) 13.157 2.776 ( 0.175 5.286 3.222) 6.193 2.862 ( 4.724 -0.320 6.617) 8.137 3.096 ( -3.765 8.797 -3.153) 10.075 3.213 ( 3.082 -8.678 1.070) 9.271 3.235 ( 8.507 -3.820 6.488) 11.360 3.378 ( 1.445 0.857 0.304) 1.708 3.770 ( 0.011 -12.720 -0.445) 12.728 4.374 ( 0.141 -2.244 -6.978) 7.331 4.398 ( -0.340 -2.929 -3.873) 4.867 4.976 ( 5.268 8.024 4.935) 10.793 5.028 ( 4.175 10.010 -0.331) 10.851 5.345 ( 3.006 -4.337 4.640) 7.027 5.462 ( -1.747 -2.705 -1.329) 3.484 5.866 ( 11.342 0.326 -0.009) 11.347 6.040 ( 7.283 -8.031 -1.813) 10.992 6.556 ( -2.643 1.249 1.385) 3.235 6.896 ( -4.663 -9.593 0.481) 10.677 7.192 ( 5.839 -2.266 4.433) 7.673 7.253 ( 8.181 -3.186 -1.197) 8.861 7.643 ( 5.960 -0.212 -0.773) 6.014 7.731 ( 1.704 -1.641 2.739) 3.619 8.016 ( 1.140 -1.202 1.088) 1.982 8.149 ( -6.061 -4.483 7.322) 10.509 8.195 ( -0.454 -3.633 -7.924) 8.729 8.347 ( -2.385 -7.212 -8.085) 11.094 8.942 ( -8.146 5.432 1.344) 9.883 9.126 ( -7.788 -3.048 2.754) 8.804 9.826 ( -2.029 6.717 -4.527) 8.351 9.960 ( -0.666 0.398 -1.901) 2.053 10.300 ( -3.530 3.760 -1.231) 5.302 10.439 ( -4.533 0.260 -1.374) 4.744 10.746 ( -2.153 6.900 1.883) 7.469 10.960 ( -5.602 -3.087 3.149) 7.130 11.092 ( 0.871 6.933 -0.253) 6.992 11.271 ( 0.736 -0.384 2.746) 2.869 11.663 ( 5.068 1.861 -0.311) 5.408 11.857 ( 5.128 -7.413 -3.116) 9.537 12.139 ( -3.022 4.887 -2.229) 6.163 12.349 ( -1.882 -4.127 4.553) 6.427 13.224 ( -0.331 8.178 -2.671) 8.609 13.360 ( 5.795 0.287 2.917) 6.494 13.410 ( 4.746 2.063 -0.548) 5.204 13.590 ( 0.320 -2.120 1.572) 2.659 14.841 ( -17.776 16.572 0.391) 24.306 15.206 ( -7.264 3.891 1.867) 8.449 15.345 ( -11.280 -7.666 1.862) 13.765 15.623 ( -3.680 -10.047 -0.157) 10.701 16.063 ( -1.127 4.754 -2.787) 5.624 16.232 ( -1.944 -2.119 2.610) 3.883 16.587 ( 1.071 4.408 2.351) 5.109 16.981 ( -8.589 -10.586 4.371) 14.315 17.433 ( -1.673 4.392 -3.181) 5.675 17.716 ( 2.520 -7.130 -10.301) 12.778 18.276 ( 11.804 24.728 2.456) 27.511 19.127 ( 10.325 -15.643 1.333) 18.790 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -6.841 18.005 -0.222) 19.262 1.855 ( -1.538 21.756 -5.641) 22.528 2.203 ( -1.521 -3.922 -2.874) 5.095 2.527 ( 0.770 -6.462 -1.824) 6.758 2.694 ( 3.234 8.301 -5.615) 10.531 2.838 ( 1.502 8.247 3.883) 9.238 3.004 ( -1.980 11.343 -1.765) 11.649 3.040 ( 5.899 2.416 7.079) 9.526 3.228 ( 1.436 -9.511 -4.350) 10.556 3.345 ( 1.277 -2.238 -3.058) 3.999 3.459 ( 4.694 -5.022 -0.818) 6.923 3.749 ( 0.406 -16.329 -0.420) 16.340 4.383 ( 1.929 -2.288 7.026) 7.637 4.422 ( 0.160 -4.337 6.783) 8.053 5.050 ( 3.057 9.011 -2.953) 9.963 5.138 ( 3.224 8.861 5.621) 10.978 5.376 ( -2.813 3.077 -0.057) 4.169 5.429 ( -1.796 0.315 3.084) 3.583 6.019 ( 7.341 -2.094 -1.530) 7.786 6.111 ( 4.185 -8.390 -2.555) 9.718 6.551 ( -0.565 -1.843 1.339) 2.347 6.825 ( -3.502 -10.821 -1.004) 11.417 7.322 ( 5.598 -2.454 -0.657) 6.147 7.376 ( 8.044 -2.201 -3.501) 9.045 7.730 ( 5.523 -0.391 -0.599) 5.569 7.800 ( 3.149 0.549 1.858) 3.697 8.019 ( -1.845 -5.748 1.036) 6.125 8.051 ( -2.581 -2.636 -8.764) 9.509 8.107 ( -7.551 -2.264 4.838) 9.249 8.273 ( -0.410 -7.203 -2.253) 7.559 8.859 ( -5.794 4.059 6.368) 9.519 9.023 ( -8.063 -3.565 4.234) 9.780 9.794 ( 1.873 7.284 -1.589) 7.687 9.960 ( 2.564 -1.131 -2.779) 3.947 10.228 ( -1.256 3.574 -3.379) 5.076 10.342 ( -2.345 0.758 -3.738) 4.477 10.746 ( -2.018 4.678 2.900) 5.862 10.871 ( -6.457 -0.136 1.441) 6.618 11.107 ( 1.009 6.727 -0.899) 6.861 11.286 ( -0.630 -0.236 -0.683) 0.959 11.752 ( 4.261 1.386 2.009) 4.910 11.897 ( 3.263 -5.394 -1.649) 6.516 12.096 ( -0.529 3.519 -0.016) 3.559 12.353 ( -2.857 -6.791 2.622) 7.820 13.196 ( 0.107 10.431 -1.911) 10.605 13.452 ( 1.229 2.878 -2.032) 3.732 13.525 ( 7.301 -1.957 4.428) 8.760 13.611 ( 0.795 -1.620 2.189) 2.837 14.570 ( -14.718 14.985 1.342) 21.047 15.071 ( -4.950 0.609 -5.226) 7.224 15.242 ( -6.822 -5.086 7.922) 11.626 15.587 ( -1.332 -10.459 0.408) 10.551 16.028 ( 1.245 2.265 -3.958) 4.727 16.210 ( -2.361 -2.946 -0.530) 3.812 16.618 ( 1.175 3.556 -2.233) 4.360 16.837 ( -8.673 -5.622 -2.910) 10.738 17.404 ( 1.034 6.490 0.352) 6.581 17.716 ( 4.286 -6.994 -1.261) 8.299 18.460 ( 5.653 22.933 4.372) 24.021 19.258 ( 5.121 -14.353 -1.137) 15.281 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 5.601 -7.866 0.030) 9.656 1.998 ( 5.601 7.867 0.030) 9.657 2.298 ( 0.518 -10.953 2.775) 11.311 2.298 ( 0.518 10.953 2.775) 11.311 2.813 ( 0.211 -10.568 -11.338) 15.501 2.813 ( 0.212 10.568 -11.338) 15.501 3.053 ( -1.892 -0.292 -0.186) 1.924 3.053 ( -1.892 0.292 -0.185) 1.924 3.250 ( -3.947 -4.730 -4.797) 7.808 3.250 ( -3.947 4.730 -4.797) 7.808 3.514 ( 3.115 -12.274 5.627) 13.857 3.514 ( 3.115 12.274 5.627) 13.857 4.535 ( 2.735 -1.414 15.995) 16.289 4.535 ( 2.735 1.415 15.995) 16.289 5.190 ( -2.696 -3.984 -2.413) 5.382 5.190 ( -2.696 3.984 -2.413) 5.382 5.471 ( -0.318 -1.552 4.182) 4.473 5.471 ( -0.318 1.553 4.182) 4.473 6.021 ( 1.030 -0.644 -3.502) 3.707 6.022 ( 1.030 0.644 -3.502) 3.707 6.557 ( -1.520 -6.011 -1.951) 6.500 6.557 ( -1.520 6.011 -1.951) 6.500 7.339 ( 0.548 -2.793 -6.507) 7.102 7.339 ( 0.548 2.793 -6.507) 7.102 7.812 ( -2.783 -2.337 0.401) 3.656 7.812 ( -2.783 2.337 0.401) 3.657 7.948 ( 0.289 -2.752 1.821) 3.313 7.948 ( 0.289 2.752 1.821) 3.313 8.115 ( 3.455 -5.184 -1.737) 6.467 8.115 ( 3.455 5.184 -1.737) 6.467 8.946 ( -1.539 -1.801 9.001) 9.308 8.946 ( -1.539 1.801 9.001) 9.308 9.913 ( 1.628 -2.409 -3.735) 4.733 9.913 ( 1.628 2.409 -3.735) 4.733 10.259 ( 1.110 -2.931 -3.908) 5.010 10.259 ( 1.110 2.931 -3.908) 5.010 10.818 ( -0.986 -3.082 2.594) 4.147 10.818 ( -0.986 3.082 2.594) 4.147 11.203 ( -0.815 -3.545 -2.498) 4.413 11.203 ( -0.815 3.545 -2.498) 4.413 11.885 ( 2.431 -2.703 3.541) 5.075 11.885 ( 2.431 2.704 3.541) 5.075 12.169 ( -1.825 -5.060 -1.109) 5.492 12.169 ( -1.825 5.060 -1.109) 5.492 13.360 ( -0.763 -5.857 -3.021) 6.634 13.360 ( -0.763 5.857 -3.021) 6.634 13.643 ( -0.344 -0.682 5.410) 5.464 13.643 ( -0.344 0.682 5.410) 5.464 14.770 ( -0.133 -14.412 -1.569) 14.498 14.770 ( -0.133 14.412 -1.569) 14.498 15.369 ( -0.610 -8.739 5.752) 10.480 15.369 ( -0.610 8.739 5.752) 10.480 16.060 ( 0.585 -4.374 -6.820) 8.123 16.060 ( 0.585 4.374 -6.820) 8.123 16.610 ( -2.568 -4.213 -6.071) 7.823 16.610 ( -2.568 4.213 -6.071) 7.823 17.659 ( 3.620 -8.119 6.068) 10.763 17.659 ( 3.620 8.119 6.068) 10.763 18.947 ( -0.838 -17.172 -0.531) 17.201 18.947 ( -0.838 17.172 -0.531) 17.201 ======================= Grid point 145 (76/170) ======================= q-point: ( 0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 8.510 -6.316 -1.578) 10.715 2.126 ( 8.510 6.316 -1.578) 10.715 2.356 ( 1.106 -1.837 3.006) 3.692 2.356 ( 1.106 1.837 3.006) 3.692 2.661 ( -0.365 -12.650 -11.489) 17.092 2.661 ( -0.365 12.650 -11.489) 17.092 2.933 ( -10.075 -3.142 -3.314) 11.062 2.933 ( -10.075 3.142 -3.314) 11.062 3.215 ( -0.070 -5.138 4.122) 6.588 3.215 ( -0.070 5.138 4.122) 6.588 3.576 ( -0.488 -8.320 1.720) 8.510 3.576 ( -0.488 8.320 1.720) 8.510 4.785 ( 4.060 -4.159 16.845) 17.820 4.785 ( 4.060 4.160 16.845) 17.820 5.085 ( -6.094 -4.473 -2.436) 7.942 5.085 ( -6.094 4.473 -2.436) 7.942 5.488 ( -3.615 -6.083 4.695) 8.492 5.488 ( -3.615 6.083 4.695) 8.493 5.952 ( -3.654 -1.728 -5.225) 6.606 5.952 ( -3.654 1.728 -5.225) 6.606 6.547 ( 3.717 -6.779 -1.722) 7.921 6.547 ( 3.717 6.779 -1.722) 7.921 7.225 ( -5.104 -4.061 -5.606) 8.601 7.225 ( -5.104 4.061 -5.606) 8.601 7.748 ( -4.882 -1.507 1.236) 5.257 7.748 ( -4.882 1.507 1.236) 5.257 7.914 ( -2.138 -1.723 -2.052) 3.428 7.914 ( -2.138 1.723 -2.052) 3.428 8.265 ( 11.772 -4.576 0.935) 12.665 8.265 ( 11.772 4.576 0.934) 12.665 9.066 ( 1.519 -0.838 10.179) 10.326 9.066 ( 1.519 0.838 10.179) 10.326 9.890 ( 2.230 -0.132 -5.777) 6.194 9.890 ( 2.230 0.132 -5.777) 6.194 10.239 ( 2.018 -3.086 -4.200) 5.589 10.239 ( 2.018 3.086 -4.200) 5.589 10.858 ( 1.896 -2.759 2.368) 4.100 10.858 ( 1.896 2.759 2.368) 4.100 11.159 ( -0.719 -1.831 -2.062) 2.850 11.159 ( -0.719 1.831 -2.062) 2.850 11.908 ( -5.577 -5.799 2.716) 8.492 11.908 ( -5.577 5.800 2.716) 8.492 12.167 ( 3.761 -1.442 -0.309) 4.040 12.167 ( 3.761 1.442 -0.308) 4.040 13.319 ( -0.085 -2.449 -1.917) 3.111 13.319 ( -0.085 2.449 -1.917) 3.111 13.655 ( -5.098 -1.189 4.827) 7.120 13.655 ( -5.098 1.189 4.827) 7.121 14.826 ( 8.025 -10.988 -2.322) 13.803 14.826 ( 8.025 10.988 -2.322) 13.803 15.454 ( 2.567 -3.461 6.126) 7.490 15.454 ( 2.567 3.461 6.126) 7.490 15.991 ( 1.756 -3.531 -7.905) 8.834 15.991 ( 1.756 3.532 -7.905) 8.834 16.536 ( 1.796 -7.618 -4.629) 9.093 16.536 ( 1.796 7.618 -4.629) 9.093 17.779 ( 2.404 -6.949 5.349) 9.093 17.779 ( 2.404 6.949 5.349) 9.093 18.872 ( -7.168 -14.145 -0.570) 15.868 18.872 ( -7.168 14.145 -0.570) 15.868 ======================= Grid point 147 (77/170) ======================= q-point: ( 0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -0.519 -9.675 -2.061) 9.906 2.185 ( -0.519 9.675 -2.061) 9.906 2.320 ( -0.091 -2.767 -10.395) 10.757 2.320 ( -0.091 2.767 -10.395) 10.757 2.610 ( 2.018 -8.044 -4.899) 9.632 2.610 ( 2.018 8.044 -4.899) 9.632 2.738 ( -8.599 -2.467 3.792) 9.716 2.738 ( -8.599 2.467 3.792) 9.717 3.280 ( 0.293 -4.512 4.750) 6.558 3.280 ( 0.293 4.513 4.750) 6.558 3.552 ( -2.709 -3.624 -0.478) 4.550 3.552 ( -2.709 3.624 -0.478) 4.550 4.922 ( -4.568 -4.910 -2.512) 7.161 4.922 ( -4.568 4.910 -2.511) 7.161 5.043 ( 1.215 -3.117 12.258) 12.706 5.043 ( 1.215 3.117 12.258) 12.706 5.466 ( -5.539 -8.483 5.590) 11.571 5.466 ( -5.539 8.483 5.590) 11.571 5.798 ( -6.738 -3.998 -5.194) 9.400 5.798 ( -6.738 3.998 -5.194) 9.400 6.648 ( 8.665 -8.368 0.280) 12.049 6.648 ( 8.665 8.368 0.280) 12.049 7.074 ( -6.499 -5.787 -2.457) 9.042 7.074 ( -6.499 5.787 -2.457) 9.042 7.689 ( -3.666 -1.871 1.157) 4.275 7.689 ( -3.666 1.871 1.157) 4.275 7.868 ( -0.029 -1.647 -2.810) 3.257 7.868 ( -0.029 1.647 -2.810) 3.257 8.473 ( 10.108 -4.070 2.637) 11.211 8.473 ( 10.108 4.070 2.637) 11.211 9.187 ( 0.966 -1.070 6.893) 7.042 9.187 ( 0.966 1.070 6.893) 7.042 9.847 ( 1.945 -1.629 -8.517) 8.887 9.847 ( 1.945 1.629 -8.517) 8.887 10.242 ( 2.988 -2.666 -2.814) 4.894 10.242 ( 2.988 2.666 -2.814) 4.895 10.919 ( 3.178 -2.528 0.894) 4.158 10.919 ( 3.178 2.528 0.894) 4.158 11.153 ( 0.938 -1.972 1.210) 2.496 11.153 ( 0.938 1.972 1.210) 2.496 11.789 ( -8.318 -5.421 -1.026) 9.981 11.789 ( -8.318 5.421 -1.026) 9.981 12.251 ( 3.810 -6.657 1.478) 7.811 12.251 ( 3.810 6.657 1.478) 7.811 13.325 ( 1.751 -1.195 0.198) 2.129 13.325 ( 1.751 1.195 0.198) 2.129 13.596 ( -6.826 -1.999 3.132) 7.772 13.596 ( -6.826 1.999 3.132) 7.772 14.936 ( 8.164 -6.034 -3.331) 10.685 14.936 ( 8.164 6.035 -3.331) 10.685 15.561 ( 2.660 -5.172 2.358) 6.276 15.561 ( 2.660 5.172 2.358) 6.276 15.993 ( 7.673 -9.512 -2.317) 12.439 15.993 ( 7.673 9.513 -2.317) 12.439 16.573 ( 6.669 -9.232 -1.700) 11.515 16.573 ( 6.669 9.232 -1.700) 11.515 17.841 ( 0.520 -3.774 0.603) 3.857 17.841 ( 0.520 3.774 0.603) 3.857 18.707 ( -12.381 -8.845 0.874) 15.241 18.707 ( -12.381 8.845 0.874) 15.241 ======================= Grid point 149 (78/170) ======================= q-point: ( 0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -7.889 -3.347 -2.659) 8.973 2.065 ( -7.889 3.347 -2.659) 8.973 2.182 ( -2.778 -5.146 -8.822) 10.584 2.182 ( -2.778 5.146 -8.822) 10.584 2.564 ( 1.056 -6.562 -3.445) 7.486 2.564 ( 1.056 6.562 -3.445) 7.486 2.755 ( -1.264 -5.347 5.929) 8.083 2.755 ( -1.264 5.347 5.929) 8.083 3.298 ( -1.451 -2.002 -0.222) 2.483 3.298 ( -1.451 2.003 -0.222) 2.483 3.492 ( -3.549 -3.488 -0.079) 4.977 3.492 ( -3.549 3.488 -0.079) 4.977 4.818 ( -2.942 -5.105 -2.255) 6.308 4.818 ( -2.942 5.105 -2.255) 6.308 5.157 ( -0.237 -7.162 4.801) 8.626 5.157 ( -0.237 7.163 4.801) 8.626 5.429 ( -5.477 -3.743 2.958) 7.263 5.429 ( -5.477 3.743 2.958) 7.263 5.649 ( -6.134 -5.755 -0.871) 8.456 5.649 ( -6.134 5.755 -0.871) 8.456 6.782 ( 4.963 -10.046 -0.748) 11.230 6.782 ( 4.963 10.046 -0.748) 11.230 7.013 ( 0.794 -5.229 3.704) 6.456 7.013 ( 0.794 5.229 3.704) 6.457 7.650 ( -2.434 -3.452 0.685) 4.280 7.650 ( -2.434 3.453 0.685) 4.280 7.841 ( 0.180 -1.364 -2.818) 3.136 7.841 ( 0.180 1.364 -2.818) 3.136 8.633 ( 5.136 -1.308 1.682) 5.561 8.633 ( 5.136 1.308 1.682) 5.561 9.276 ( 3.375 -2.209 4.708) 6.200 9.276 ( 3.375 2.209 4.708) 6.200 9.764 ( -0.239 -1.824 -8.356) 8.556 9.764 ( -0.239 1.824 -8.356) 8.556 10.257 ( 2.104 -3.335 -2.636) 4.743 10.257 ( 2.104 3.335 -2.636) 4.743 10.999 ( 4.946 -2.040 1.806) 5.647 10.999 ( 4.946 2.040 1.806) 5.647 11.209 ( 2.239 -2.167 2.786) 4.180 11.209 ( 2.239 2.167 2.786) 4.180 11.637 ( -7.117 -2.469 -2.359) 7.893 11.637 ( -7.117 2.469 -2.359) 7.894 12.302 ( 0.852 -8.613 0.740) 8.687 12.302 ( 0.852 8.613 0.740) 8.687 13.351 ( -0.089 -4.348 -0.305) 4.359 13.351 ( -0.089 4.348 -0.305) 4.359 13.528 ( -3.913 -3.274 2.538) 5.699 13.528 ( -3.913 3.274 2.538) 5.699 15.022 ( 6.189 -3.711 -2.017) 7.493 15.022 ( 6.189 3.711 -2.017) 7.493 15.573 ( -1.228 -9.367 -0.589) 9.466 15.573 ( -1.228 9.367 -0.589) 9.466 16.211 ( 16.031 -15.181 3.387) 22.337 16.211 ( 16.031 15.181 3.387) 22.337 16.702 ( 9.106 -7.434 0.396) 11.762 16.702 ( 9.106 7.434 0.396) 11.762 17.799 ( -1.987 -4.143 -6.159) 7.684 17.799 ( -1.987 4.143 -6.159) 7.684 18.498 ( -15.055 -2.110 3.474) 15.594 18.498 ( -15.055 2.110 3.474) 15.594 ======================= Grid point 151 (79/170) ======================= q-point: ( 0.36 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -7.200 -1.988 -0.038) 7.470 1.930 ( -7.200 1.988 -0.038) 7.470 2.072 ( 0.988 -8.188 -4.541) 9.415 2.072 ( 0.987 8.188 -4.542) 9.415 2.542 ( -1.631 -6.561 -0.842) 6.813 2.542 ( -1.631 6.561 -0.842) 6.813 2.782 ( -1.792 -4.730 3.822) 6.339 2.782 ( -1.792 4.730 3.822) 6.340 3.245 ( -1.962 -2.263 -2.267) 3.756 3.245 ( -1.962 2.263 -2.266) 3.756 3.452 ( -1.526 -4.921 0.629) 5.190 3.452 ( -1.526 4.921 0.629) 5.191 4.778 ( 0.339 -3.212 -1.660) 3.631 4.778 ( 0.339 3.212 -1.660) 3.632 5.165 ( -1.790 -10.168 0.729) 10.350 5.165 ( -1.790 10.168 0.729) 10.350 5.345 ( -3.337 -2.852 -3.944) 5.901 5.345 ( -3.337 2.852 -3.944) 5.901 5.564 ( -5.451 -4.005 1.443) 6.916 5.564 ( -5.451 4.005 1.443) 6.916 6.802 ( 0.560 -9.955 -0.590) 9.988 6.802 ( 0.560 9.955 -0.590) 9.988 7.148 ( 4.939 -4.345 6.172) 9.021 7.148 ( 4.939 4.345 6.172) 9.021 7.625 ( -0.818 -4.184 0.051) 4.263 7.625 ( -0.818 4.184 0.051) 4.263 7.803 ( -0.646 -0.762 -3.153) 3.307 7.803 ( -0.647 0.762 -3.153) 3.308 8.665 ( 0.422 -2.596 -3.229) 4.164 8.665 ( 0.422 2.596 -3.229) 4.164 9.432 ( 6.455 -5.398 6.486) 10.625 9.432 ( 6.455 5.398 6.486) 10.625 9.662 ( -1.677 -0.501 -5.274) 5.557 9.662 ( -1.677 0.501 -5.274) 5.557 10.260 ( 1.318 -6.852 -0.976) 7.045 10.260 ( 1.318 6.852 -0.976) 7.046 11.115 ( 4.292 -2.280 3.854) 6.203 11.115 ( 4.292 2.281 3.855) 6.203 11.266 ( 2.170 -1.222 0.044) 2.491 11.266 ( 2.170 1.222 0.044) 2.491 11.507 ( -5.162 -1.702 -2.329) 5.913 11.507 ( -5.162 1.702 -2.329) 5.913 12.308 ( -0.615 -8.036 0.644) 8.085 12.308 ( -0.615 8.037 0.644) 8.086 13.303 ( -2.649 -3.564 -2.078) 4.902 13.303 ( -2.649 3.564 -2.078) 4.903 13.530 ( -0.293 -3.318 2.103) 3.939 13.530 ( -0.293 3.318 2.103) 3.939 15.108 ( 4.631 -5.100 1.373) 7.025 15.108 ( 4.631 5.100 1.373) 7.025 15.544 ( -2.261 -8.511 1.675) 8.964 15.544 ( -2.261 8.511 1.675) 8.964 16.526 ( 15.587 -14.344 1.837) 21.262 16.526 ( 15.587 14.344 1.837) 21.262 16.873 ( 9.407 -5.351 2.734) 11.163 16.873 ( 9.407 5.351 2.734) 11.163 17.643 ( -4.160 -11.361 -10.862) 16.259 17.643 ( -4.160 11.361 -10.862) 16.259 18.300 ( -13.775 -10.730 4.278) 17.978 18.300 ( -13.775 10.730 4.278) 17.978 ======================= Grid point 153 (80/170) ======================= q-point: ( 0.45 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -3.917 -1.276 -5.350) 6.752 1.795 ( -3.917 1.276 -5.350) 6.752 2.145 ( 4.476 -6.818 5.877) 10.053 2.145 ( 4.476 6.818 5.877) 10.053 2.516 ( -0.529 -7.240 2.260) 7.603 2.516 ( -0.529 7.240 2.260) 7.603 2.789 ( -1.894 -4.358 2.855) 5.543 2.789 ( -1.894 4.358 2.855) 5.543 3.219 ( 0.763 -2.972 -0.116) 3.071 3.219 ( 0.763 2.973 -0.116) 3.071 3.442 ( -0.948 -3.418 0.590) 3.596 3.442 ( -0.947 3.419 0.590) 3.596 4.778 ( 1.642 -1.706 -1.850) 3.004 4.778 ( 1.642 1.707 -1.850) 3.005 5.128 ( -2.257 -2.220 -1.738) 3.611 5.128 ( -2.257 2.221 -1.738) 3.611 5.237 ( -0.325 -5.385 -9.215) 10.677 5.237 ( -0.325 5.385 -9.215) 10.678 5.498 ( -3.042 -1.876 0.408) 3.597 5.498 ( -3.042 1.876 0.408) 3.597 6.809 ( 0.405 -9.073 0.468) 9.095 6.809 ( 0.405 9.074 0.468) 9.095 7.237 ( -1.401 -3.736 2.909) 4.938 7.237 ( -1.401 3.736 2.909) 4.938 7.628 ( 0.055 -3.577 0.731) 3.651 7.628 ( 0.055 3.577 0.731) 3.651 7.769 ( 1.390 -2.393 -2.253) 3.568 7.769 ( 1.390 2.393 -2.253) 3.568 8.610 ( 0.398 -5.211 -6.781) 8.561 8.610 ( 0.398 5.211 -6.781) 8.561 9.467 ( -2.405 -4.831 -5.784) 7.911 9.467 ( -2.405 4.831 -5.784) 7.911 9.732 ( 5.019 -1.306 11.412) 12.535 9.732 ( 5.019 1.306 11.412) 12.535 10.293 ( 1.511 -8.268 2.661) 8.816 10.293 ( 1.511 8.268 2.661) 8.817 11.171 ( -1.801 -4.455 -0.309) 4.815 11.171 ( -1.801 4.455 -0.309) 4.815 11.288 ( 1.212 -3.883 -0.847) 4.155 11.288 ( 1.212 3.883 -0.847) 4.155 11.434 ( -0.239 -1.323 -0.661) 1.498 11.434 ( -0.239 1.323 -0.661) 1.498 12.309 ( -0.484 -6.528 1.505) 6.717 12.309 ( -0.484 6.529 1.505) 6.718 13.250 ( -0.309 -3.543 -2.392) 4.286 13.250 ( -0.309 3.544 -2.392) 4.286 13.536 ( -0.963 -3.770 0.560) 3.931 13.536 ( -0.963 3.770 0.560) 3.931 15.197 ( 1.474 -4.491 4.701) 6.666 15.197 ( 1.474 4.491 4.701) 6.667 15.556 ( -0.619 -6.006 5.334) 8.057 15.556 ( -0.619 6.007 5.334) 8.057 16.681 ( 3.042 -16.837 -3.989) 17.568 16.681 ( 3.042 16.837 -3.989) 17.568 17.045 ( 3.102 -5.797 2.642) 7.086 17.045 ( 3.102 5.797 2.642) 7.086 17.511 ( 6.052 -15.100 -7.096) 17.748 17.511 ( 6.052 15.100 -7.096) 17.748 18.137 ( -9.792 -15.822 1.383) 18.658 18.137 ( -9.792 15.822 1.383) 18.658 ======================= Grid point 155 (81/170) ======================= q-point: (-0.45 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 6.164 -3.526 -5.190) 8.796 1.742 ( 6.164 3.526 -5.190) 8.796 2.263 ( 0.577 -3.225 6.729) 7.484 2.263 ( 0.577 3.225 6.729) 7.484 2.614 ( 4.941 -3.433 6.501) 8.858 2.614 ( 4.941 3.433 6.501) 8.858 2.782 ( -2.382 -2.390 2.449) 4.170 2.782 ( -2.382 2.391 2.449) 4.170 3.247 ( 1.366 -3.276 -0.517) 3.587 3.247 ( 1.366 3.277 -0.517) 3.588 3.439 ( -0.522 -1.170 2.747) 3.031 3.439 ( -0.522 1.170 2.747) 3.031 4.782 ( 1.785 -2.437 -3.099) 4.328 4.782 ( 1.785 2.438 -3.099) 4.328 5.008 ( -2.417 -3.526 -11.728) 12.483 5.008 ( -2.417 3.526 -11.728) 12.483 5.174 ( 2.863 -3.750 -5.225) 7.040 5.174 ( 2.862 3.750 -5.226) 7.040 5.493 ( 1.917 -1.590 0.809) 2.618 5.493 ( 1.917 1.590 0.809) 2.619 6.829 ( 0.590 -7.720 1.713) 7.930 6.829 ( 0.590 7.720 1.712) 7.930 7.179 ( -6.623 -5.521 0.235) 8.626 7.179 ( -6.623 5.521 0.235) 8.626 7.618 ( -1.370 -4.767 0.077) 4.961 7.618 ( -1.370 4.767 0.077) 4.961 7.816 ( 4.233 -3.661 0.944) 5.676 7.816 ( 4.233 3.661 0.944) 5.676 8.534 ( 1.426 -6.537 -9.311) 11.466 8.534 ( 1.427 6.537 -9.312) 11.466 9.353 ( -3.667 -2.561 -4.168) 6.113 9.353 ( -3.667 2.561 -4.168) 6.113 9.942 ( 2.473 -1.219 12.534) 12.834 9.942 ( 2.473 1.220 12.534) 12.834 10.359 ( 0.774 -5.827 4.956) 7.689 10.359 ( 0.774 5.828 4.956) 7.689 11.082 ( -2.562 -4.000 -6.386) 7.959 11.082 ( -2.562 4.000 -6.386) 7.959 11.250 ( -4.754 -3.710 0.535) 6.054 11.250 ( -4.754 3.710 0.535) 6.054 11.492 ( 5.141 -1.373 1.011) 5.416 11.492 ( 5.141 1.373 1.011) 5.416 12.324 ( -0.416 -4.865 2.022) 5.285 12.324 ( -0.416 4.865 2.022) 5.285 13.236 ( 2.137 -3.501 -3.359) 5.302 13.236 ( 2.137 3.501 -3.359) 5.302 13.516 ( -1.745 -2.808 0.393) 3.329 13.516 ( -1.745 2.808 0.393) 3.330 15.253 ( -2.203 -2.333 6.484) 7.234 15.253 ( -2.203 2.333 6.484) 7.234 15.645 ( 0.861 -7.065 9.102) 11.555 15.645 ( 0.861 7.065 9.102) 11.555 16.543 ( -9.495 -19.222 -8.466) 23.050 16.543 ( -9.495 19.222 -8.466) 23.050 16.990 ( -6.776 -6.156 -0.982) 9.207 16.990 ( -6.776 6.156 -0.982) 9.207 17.716 ( 17.088 -20.666 -0.722) 26.825 17.716 ( 17.088 20.666 -0.721) 26.825 18.016 ( -2.994 -15.948 -1.404) 16.287 18.016 ( -2.994 15.948 -1.404) 16.287 ======================= Grid point 157 (82/170) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 16.034 -7.106 -2.382) 17.699 1.894 ( 16.034 7.106 -2.382) 17.699 2.349 ( 2.466 -4.459 5.544) 7.530 2.349 ( 2.466 4.459 5.544) 7.530 2.691 ( -3.836 -5.717 0.007) 6.885 2.691 ( -3.837 5.717 0.007) 6.885 2.807 ( 0.538 -6.556 7.029) 9.627 2.807 ( 0.538 6.556 7.029) 9.627 3.215 ( -1.603 -1.018 -3.614) 4.083 3.215 ( -1.603 1.019 -3.614) 4.083 3.503 ( 0.985 -4.320 5.780) 7.283 3.503 ( 0.985 4.320 5.780) 7.283 4.702 ( 0.451 -1.261 -16.662) 16.716 4.702 ( 0.451 1.262 -16.662) 16.715 4.907 ( 2.232 -6.541 -1.356) 7.043 4.907 ( 2.233 6.541 -1.356) 7.043 5.193 ( 4.620 -7.960 -2.933) 9.659 5.193 ( 4.620 7.960 -2.933) 9.660 5.581 ( 6.951 -4.441 1.287) 8.349 5.581 ( 6.951 4.441 1.287) 8.349 6.856 ( -0.504 -6.302 1.041) 6.407 6.856 ( -0.503 6.302 1.041) 6.407 7.065 ( -6.501 -4.480 1.974) 8.138 7.065 ( -6.501 4.480 1.974) 8.138 7.605 ( 0.264 -3.987 -0.349) 4.011 7.605 ( 0.264 3.987 -0.349) 4.011 7.904 ( 3.061 -3.969 3.555) 6.145 7.904 ( 3.061 3.969 3.555) 6.145 8.446 ( 1.316 -6.502 -10.388) 12.325 8.446 ( 1.316 6.502 -10.388) 12.325 9.254 ( -4.386 -2.380 -1.773) 5.296 9.254 ( -4.386 2.380 -1.773) 5.296 10.059 ( -2.222 -1.796 6.603) 7.194 10.059 ( -2.222 1.796 6.603) 7.194 10.421 ( -1.400 -2.516 6.657) 7.253 10.421 ( -1.400 2.516 6.657) 7.253 10.975 ( -0.862 -1.718 -6.815) 7.081 10.975 ( -0.862 1.718 -6.815) 7.081 11.183 ( -4.023 -2.909 2.080) 5.383 11.183 ( -4.023 2.909 2.080) 5.383 11.589 ( 5.263 -3.604 0.175) 6.381 11.589 ( 5.263 3.604 0.175) 6.381 12.329 ( -1.660 -2.579 1.420) 3.380 12.329 ( -1.660 2.580 1.420) 3.380 13.238 ( 3.194 -1.097 -4.119) 5.327 13.238 ( 3.194 1.097 -4.119) 5.327 13.498 ( -1.321 -0.987 1.168) 2.021 13.498 ( -1.321 0.987 1.168) 2.021 15.282 ( -3.897 -2.838 7.958) 9.305 15.282 ( -3.897 2.838 7.958) 9.305 15.726 ( -4.869 -8.383 6.150) 11.481 15.726 ( -4.869 8.383 6.150) 11.481 16.275 ( -9.530 -14.469 -4.941) 18.016 16.275 ( -9.530 14.469 -4.941) 18.016 16.857 ( -7.980 -9.976 0.052) 12.775 16.857 ( -7.980 9.976 0.052) 12.775 17.794 ( 0.190 -13.873 -8.621) 16.334 17.794 ( 0.190 13.873 -8.621) 16.334 18.169 ( 16.898 -20.464 3.465) 26.764 18.169 ( 16.898 20.465 3.465) 26.764 ======================= Grid point 159 (83/170) ======================= q-point: (-0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 12.516 -11.241 -1.574) 16.897 2.138 ( 12.516 11.241 -1.574) 16.897 2.473 ( 2.925 -2.166 -1.136) 3.813 2.473 ( 2.925 2.167 -1.137) 3.813 2.560 ( -2.747 -4.939 -1.041) 5.746 2.560 ( -2.746 4.939 -1.040) 5.746 2.892 ( 0.610 -8.176 6.077) 10.206 2.892 ( 0.610 8.176 6.077) 10.206 3.161 ( -1.172 -2.544 -0.111) 2.803 3.161 ( -1.172 2.545 -0.111) 2.804 3.555 ( -1.358 -8.180 3.074) 8.844 3.555 ( -1.358 8.180 3.074) 8.844 4.502 ( -0.137 -2.486 -16.673) 16.858 4.502 ( -0.137 2.486 -16.673) 16.858 5.001 ( 5.488 -7.618 4.318) 10.334 5.001 ( 5.489 7.618 4.318) 10.335 5.253 ( 5.561 -10.828 -1.897) 12.319 5.253 ( 5.561 10.828 -1.897) 12.319 5.739 ( 9.901 -5.553 0.925) 11.390 5.739 ( 9.902 5.553 0.925) 11.390 6.788 ( -6.790 -9.407 -0.360) 11.608 6.788 ( -6.790 9.407 -0.360) 11.608 7.073 ( 2.658 -2.674 3.978) 5.481 7.073 ( 2.658 2.674 3.978) 5.481 7.623 ( 2.021 -3.334 0.164) 3.902 7.623 ( 2.021 3.334 0.164) 3.902 7.992 ( 1.042 -4.357 5.494) 7.089 7.992 ( 1.042 4.357 5.494) 7.089 8.341 ( 0.006 -5.445 -10.161) 11.528 8.341 ( 0.006 5.445 -10.161) 11.528 9.158 ( -6.209 -3.300 0.108) 7.032 9.158 ( -6.209 3.300 0.108) 7.032 10.022 ( -4.716 -1.872 -1.108) 5.194 10.022 ( -4.716 1.872 -1.108) 5.194 10.443 ( -4.038 -3.827 4.330) 7.050 10.443 ( -4.038 3.827 4.330) 7.050 10.909 ( -0.901 -3.844 -2.273) 4.556 10.909 ( -0.901 3.845 -2.273) 4.556 11.178 ( -0.597 -3.243 3.390) 4.729 11.178 ( -0.597 3.243 3.390) 4.729 11.667 ( 5.354 -4.862 -1.853) 7.466 11.667 ( 5.354 4.862 -1.854) 7.466 12.298 ( -3.295 -2.401 0.731) 4.142 12.298 ( -3.295 2.402 0.731) 4.142 13.259 ( 4.042 -1.134 -2.353) 4.813 13.259 ( 4.042 1.134 -2.354) 4.813 13.499 ( -0.137 -4.628 1.104) 4.760 13.499 ( -0.137 4.628 1.104) 4.760 15.298 ( -6.934 -2.804 9.988) 12.478 15.298 ( -6.934 2.804 9.988) 12.478 15.550 ( -13.245 -11.882 -6.455) 18.928 15.550 ( -13.245 11.882 -6.455) 18.928 16.190 ( -2.559 -4.079 3.537) 5.975 16.190 ( -2.559 4.079 3.537) 5.975 16.754 ( -5.911 -12.342 3.586) 14.146 16.754 ( -5.911 12.342 3.586) 14.146 17.673 ( -0.372 -9.323 -10.855) 14.314 17.673 ( -0.372 9.323 -10.855) 14.314 18.490 ( 16.048 -20.876 2.988) 26.501 18.490 ( 16.048 20.876 2.988) 26.501 ======================= Grid point 161 (84/170) ======================= q-point: (-0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -4.824 -12.974 -7.039) 15.528 2.175 ( -4.824 12.974 -7.039) 15.528 2.317 ( -3.060 -11.072 -2.792) 11.822 2.317 ( -3.060 11.072 -2.792) 11.822 2.734 ( 12.148 -5.588 -1.658) 13.475 2.734 ( 12.149 5.588 -1.658) 13.475 2.996 ( 3.568 -9.234 6.361) 11.767 2.996 ( 3.568 9.234 6.361) 11.767 3.188 ( 2.139 -1.108 3.771) 4.475 3.188 ( 2.139 1.108 3.771) 4.475 3.523 ( -3.214 -10.766 -1.962) 11.406 3.523 ( -3.214 10.766 -1.962) 11.406 4.357 ( -0.697 -0.743 -6.277) 6.359 4.357 ( -0.697 0.744 -6.277) 6.359 5.144 ( 4.894 -5.442 3.908) 8.297 5.144 ( 4.894 5.442 3.908) 8.297 5.326 ( 4.801 -7.578 -0.429) 8.981 5.326 ( 4.801 7.578 -0.429) 8.981 5.905 ( 8.917 -4.120 -0.509) 9.836 5.905 ( 8.917 4.121 -0.509) 9.836 6.680 ( -5.988 -9.574 0.970) 11.333 6.680 ( -5.988 9.574 0.970) 11.333 7.197 ( 7.430 -1.967 1.793) 7.892 7.197 ( 7.430 1.967 1.793) 7.892 7.674 ( 3.256 -3.376 0.999) 4.795 7.674 ( 3.256 3.376 0.999) 4.795 8.043 ( -2.070 -3.938 3.606) 5.727 8.043 ( -2.070 3.938 3.606) 5.727 8.223 ( -1.611 -4.329 -7.417) 8.738 8.223 ( -1.611 4.329 -7.417) 8.738 9.047 ( -8.767 -4.402 2.496) 10.123 9.047 ( -8.767 4.402 2.496) 10.123 9.933 ( -1.319 -3.178 -3.522) 4.924 9.933 ( -1.319 3.178 -3.522) 4.924 10.387 ( -4.084 -4.132 -1.201) 5.933 10.387 ( -4.084 4.132 -1.201) 5.933 10.876 ( -3.614 -5.120 2.152) 6.626 10.876 ( -3.614 5.121 2.152) 6.626 11.216 ( 0.781 -4.546 1.852) 4.971 11.216 ( 0.781 4.546 1.852) 4.971 11.731 ( 5.422 -4.577 -2.447) 7.506 11.731 ( 5.422 4.577 -2.447) 7.506 12.249 ( -3.349 -5.234 1.037) 6.300 12.249 ( -3.349 5.235 1.037) 6.300 13.322 ( 4.753 -2.441 0.014) 5.343 13.322 ( 4.753 2.441 0.014) 5.343 13.516 ( 0.861 -5.117 1.000) 5.285 13.516 ( 0.861 5.117 1.000) 5.285 15.163 ( -18.525 -11.467 1.325) 21.827 15.163 ( -18.525 11.467 1.325) 21.827 15.354 ( -2.542 -11.627 0.100) 11.902 15.354 ( -2.542 11.627 0.100) 11.902 16.173 ( -2.199 -4.119 -0.356) 4.682 16.173 ( -2.199 4.119 -0.356) 4.682 16.742 ( -3.375 -10.308 5.838) 12.318 16.742 ( -3.375 10.308 5.838) 12.318 17.563 ( 1.140 -7.134 -8.221) 10.944 17.563 ( 1.140 7.134 -8.221) 10.944 18.750 ( 11.574 -20.203 1.778) 23.351 18.750 ( 11.574 20.203 1.778) 23.351 ======================= Grid point 163 (85/170) ======================= q-point: (-0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -3.497 -11.075 -4.501) 12.456 2.000 ( -3.497 11.076 -4.501) 12.456 2.286 ( -0.682 -14.698 0.017) 14.714 2.286 ( -0.682 14.698 0.017) 14.714 2.851 ( 5.960 -5.563 -4.317) 9.226 2.851 ( 5.960 5.564 -4.317) 9.226 3.069 ( 1.143 -2.832 -1.433) 3.373 3.069 ( 1.143 2.832 -1.433) 3.373 3.330 ( 5.114 -6.440 5.412) 9.844 3.330 ( 5.113 6.440 5.412) 9.844 3.415 ( -3.267 -11.991 -3.795) 12.995 3.415 ( -3.267 11.991 -3.795) 12.995 4.364 ( 0.765 -0.907 7.672) 7.763 4.364 ( 0.765 0.907 7.672) 7.763 5.219 ( 1.268 -4.104 -0.221) 4.301 5.219 ( 1.268 4.104 -0.221) 4.301 5.407 ( 3.000 -2.327 2.803) 4.719 5.407 ( 3.000 2.327 2.803) 4.719 6.005 ( 4.837 -1.711 -2.170) 5.571 6.005 ( 4.837 1.711 -2.170) 5.571 6.611 ( -3.540 -7.738 0.278) 8.514 6.611 ( -3.540 7.738 0.278) 8.514 7.326 ( 7.059 -2.050 -2.415) 7.737 7.326 ( 7.059 2.050 -2.415) 7.737 7.759 ( 4.885 -3.307 2.085) 6.257 7.759 ( 4.885 3.307 2.085) 6.257 7.983 ( -4.142 -2.319 -2.680) 5.451 7.983 ( -4.142 2.319 -2.680) 5.451 8.147 ( -2.785 -4.609 -0.487) 5.407 8.147 ( -2.785 4.609 -0.487) 5.407 8.944 ( -7.638 -3.935 5.192) 10.039 8.944 ( -7.638 3.935 5.192) 10.039 9.913 ( 2.342 -3.760 -2.781) 5.231 9.913 ( 2.342 3.760 -2.781) 5.231 10.305 ( -1.784 -3.396 -3.634) 5.284 10.305 ( -1.784 3.396 -3.634) 5.284 10.835 ( -4.109 -3.270 2.598) 5.859 10.835 ( -4.109 3.270 2.598) 5.859 11.230 ( 0.008 -4.619 -0.760) 4.681 11.230 ( 0.008 4.619 -0.760) 4.682 11.800 ( 4.785 -3.422 -0.044) 5.883 11.800 ( 4.785 3.422 -0.044) 5.883 12.211 ( -2.688 -6.523 0.717) 7.092 12.211 ( -2.688 6.524 0.717) 7.092 13.381 ( 1.974 -6.832 -1.239) 7.218 13.381 ( 1.974 6.832 -1.239) 7.219 13.565 ( 2.356 -2.880 3.451) 5.075 13.565 ( 2.356 2.881 3.451) 5.075 14.890 ( -11.579 -14.039 -1.975) 18.305 14.890 ( -11.579 14.039 -1.975) 18.305 15.342 ( -2.748 -10.756 4.472) 11.969 15.342 ( -2.748 10.756 4.472) 11.969 16.121 ( -0.646 -5.161 -4.097) 6.621 16.121 ( -0.646 5.161 -4.097) 6.621 16.715 ( -3.840 -5.504 -1.059) 6.794 16.715 ( -3.840 5.504 -1.059) 6.795 17.555 ( 3.280 -7.701 0.455) 8.382 17.555 ( 3.280 7.701 0.455) 8.382 18.908 ( 5.680 -19.016 0.446) 19.851 18.908 ( 5.680 19.016 0.446) 19.851 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -25.042 0.000 22.080) 33.386 1.239 ( -3.904 0.000 27.857) 28.129 1.900 ( 8.558 0.000 25.274) 26.684 1.925 ( 18.628 0.000 -22.328) 29.078 2.446 ( -0.005 0.000 -14.293) 14.293 2.587 ( 10.929 0.000 2.210) 11.151 3.034 ( -1.132 0.000 5.515) 5.630 3.210 ( -4.558 0.000 3.022) 5.469 3.277 ( 2.634 0.000 -4.226) 4.979 3.507 ( -4.440 0.000 -8.468) 9.562 3.782 ( 1.210 0.000 6.424) 6.537 4.184 ( -1.100 0.000 -10.460) 10.518 4.554 ( -5.469 0.000 1.394) 5.644 4.633 ( -1.429 0.000 -1.315) 1.942 4.933 ( -1.970 0.000 8.938) 9.153 5.092 ( 2.850 0.000 6.440) 7.043 5.159 ( -1.968 0.000 13.835) 13.974 5.565 ( 0.518 0.000 -2.671) 2.721 6.168 ( -3.947 0.000 -1.606) 4.261 6.420 ( 6.274 0.000 -11.993) 13.535 6.903 ( -1.718 0.000 -0.949) 1.963 7.087 ( 3.635 0.000 -7.367) 8.214 7.229 ( -5.817 0.000 3.094) 6.589 7.418 ( 3.877 0.000 -4.777) 6.152 7.584 ( -2.693 0.000 -2.397) 3.605 7.756 ( 0.313 0.000 -10.095) 10.099 7.937 ( 6.296 0.000 3.083) 7.011 8.104 ( -3.877 0.000 -4.337) 5.817 8.541 ( 3.858 0.000 7.552) 8.481 8.688 ( -4.665 0.000 0.309) 4.676 9.294 ( 5.093 0.000 12.979) 13.942 9.446 ( 0.909 0.000 10.168) 10.208 9.516 ( 1.508 0.000 3.496) 3.807 9.887 ( 4.933 0.000 -2.504) 5.532 9.999 ( -8.450 0.000 -0.860) 8.494 10.057 ( 0.949 0.000 -8.266) 8.320 10.506 ( -2.269 0.000 1.080) 2.513 10.690 ( 5.894 0.000 3.972) 7.107 10.791 ( -4.627 0.000 0.555) 4.660 10.819 ( -0.488 0.000 -5.529) 5.550 11.846 ( 4.043 0.000 3.163) 5.133 12.268 ( -8.555 0.000 -12.914) 15.490 12.351 ( 1.116 0.000 12.907) 12.956 12.645 ( -0.718 0.000 6.268) 6.309 12.726 ( 1.685 0.000 -3.762) 4.122 12.921 ( 2.328 0.000 -6.635) 7.032 13.621 ( -8.178 0.000 2.483) 8.547 13.759 ( 10.755 0.000 -3.154) 11.208 14.358 ( -16.697 0.000 14.739) 22.272 15.122 ( 10.165 0.000 -16.618) 19.480 15.248 ( 2.827 0.000 13.064) 13.367 15.964 ( 3.993 0.000 5.177) 6.538 16.053 ( -3.665 0.000 -22.353) 22.651 16.149 ( -1.247 0.000 -5.009) 5.162 16.602 ( 0.536 0.000 7.717) 7.736 16.733 ( -2.482 0.000 1.009) 2.679 16.864 ( -2.327 0.000 -1.292) 2.661 17.027 ( 3.449 0.000 -7.091) 7.885 18.818 ( 0.662 0.000 20.507) 20.518 19.522 ( -0.192 0.000 -11.896) 11.897 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -3.846 0.000 17.947) 18.354 1.543 ( 3.744 0.000 24.924) 25.203 2.002 ( 16.827 0.000 -17.915) 24.578 2.116 ( 9.856 0.000 -15.517) 18.383 2.342 ( -8.176 0.000 2.902) 8.676 2.660 ( 0.823 0.000 -8.648) 8.687 3.041 ( -4.871 0.000 4.515) 6.642 3.234 ( -2.144 0.000 -1.805) 2.803 3.234 ( -0.407 0.000 10.774) 10.781 3.349 ( -2.975 0.000 -6.693) 7.324 3.864 ( -1.463 0.000 8.759) 8.880 4.023 ( -4.136 0.000 -10.702) 11.474 4.500 ( -2.745 0.000 3.125) 4.159 4.621 ( 1.584 0.000 -0.112) 1.588 5.007 ( -0.684 0.000 7.513) 7.544 5.192 ( 3.934 0.000 0.434) 3.958 5.297 ( -0.029 0.000 13.989) 13.989 5.553 ( 2.524 0.000 -4.644) 5.285 6.028 ( -9.646 0.000 -0.914) 9.689 6.356 ( -0.291 0.000 -8.958) 8.962 6.791 ( -9.773 0.000 -0.270) 9.777 6.939 ( -6.386 0.000 -5.802) 8.628 7.172 ( -5.437 0.000 5.820) 7.965 7.524 ( 6.760 0.000 -5.928) 8.990 7.645 ( 7.919 0.000 0.321) 7.926 7.716 ( 7.353 0.000 -2.384) 7.729 8.008 ( -1.671 0.000 -3.945) 4.284 8.096 ( 8.910 0.000 1.423) 9.023 8.609 ( -3.667 0.000 -1.843) 4.104 8.672 ( 2.793 0.000 5.323) 6.011 9.493 ( 1.806 0.000 8.889) 9.071 9.493 ( -1.712 0.000 -0.355) 1.749 9.591 ( 1.666 0.000 4.333) 4.642 9.743 ( -4.101 0.000 -13.897) 14.490 9.863 ( -7.204 0.000 2.427) 7.602 10.102 ( 4.107 0.000 -0.113) 4.109 10.571 ( 0.245 0.000 8.135) 8.139 10.686 ( 0.142 0.000 -3.650) 3.653 10.719 ( -1.084 0.000 -1.697) 2.014 10.906 ( 8.305 0.000 1.126) 8.381 11.960 ( -9.994 0.000 -12.266) 15.822 12.017 ( 5.881 0.000 10.104) 11.691 12.509 ( 2.278 0.000 10.770) 11.009 12.661 ( -4.546 0.000 4.918) 6.697 12.678 ( 0.690 0.000 -7.192) 7.225 12.850 ( -2.653 0.000 -6.734) 7.238 13.513 ( -6.808 0.000 1.317) 6.934 13.888 ( 8.632 0.000 -5.001) 9.977 14.344 ( -7.494 0.000 19.757) 21.130 15.115 ( 9.708 0.000 -13.721) 16.808 15.417 ( -0.895 0.000 13.424) 13.454 15.734 ( -4.263 0.000 -20.157) 20.603 16.073 ( -0.226 0.000 -6.260) 6.264 16.108 ( 4.145 0.000 5.472) 6.865 16.685 ( -2.878 0.000 9.557) 9.981 16.707 ( -0.692 0.000 -0.360) 0.780 16.888 ( 7.685 0.000 -4.052) 8.687 17.041 ( 7.337 0.000 -4.313) 8.510 19.034 ( -1.369 0.000 18.347) 18.398 19.346 ( -2.697 0.000 -14.537) 14.785 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 6.119 0.000 9.608) 11.391 1.885 ( 6.607 0.000 14.880) 16.280 1.982 ( -4.957 0.000 -16.717) 17.437 2.053 ( 9.548 0.000 -8.960) 13.094 2.172 ( -0.943 0.000 -8.761) 8.812 2.520 ( -0.502 0.000 -10.909) 10.921 2.982 ( -7.619 0.000 3.966) 8.589 3.184 ( -2.186 0.000 -3.990) 4.550 3.218 ( -7.019 0.000 -3.007) 7.636 3.360 ( -1.037 0.000 9.654) 9.709 3.799 ( -8.333 0.000 -10.599) 13.483 3.933 ( -3.095 0.000 10.180) 10.640 4.570 ( 4.177 0.000 7.065) 8.207 4.699 ( 7.267 0.000 0.824) 7.314 5.082 ( 1.719 0.000 4.765) 5.066 5.218 ( 1.823 0.000 -4.819) 5.152 5.469 ( 3.050 0.000 11.101) 11.512 5.526 ( 4.979 0.000 -10.914) 11.996 5.865 ( -11.763 0.000 4.627) 12.640 6.197 ( -7.790 0.000 -6.912) 10.415 6.645 ( -6.368 0.000 0.135) 6.369 6.818 ( -2.550 0.000 -2.632) 3.665 7.178 ( -5.011 0.000 9.695) 10.913 7.468 ( 0.191 0.000 -8.841) 8.843 7.694 ( -2.947 0.000 -3.799) 4.808 7.890 ( 5.866 0.000 5.748) 8.213 8.041 ( 8.828 0.000 2.314) 9.126 8.265 ( 10.170 0.000 1.337) 10.258 8.527 ( -0.692 0.000 -6.201) 6.240 8.740 ( -0.389 0.000 2.594) 2.623 9.380 ( -4.144 0.000 -10.696) 11.470 9.513 ( -11.351 0.000 4.195) 12.102 9.553 ( -4.789 0.000 -4.699) 6.709 9.611 ( 3.758 0.000 -1.947) 4.232 9.896 ( 2.730 0.000 8.487) 8.915 10.159 ( 2.716 0.000 0.355) 2.740 10.557 ( -1.603 0.000 -3.025) 3.424 10.733 ( 7.932 0.000 0.288) 7.937 10.809 ( 4.861 0.000 6.074) 7.780 11.023 ( 6.342 0.000 -3.354) 7.174 11.699 ( -8.819 0.000 -4.497) 9.899 12.177 ( -1.579 0.000 8.737) 8.878 12.602 ( -4.319 0.000 1.726) 4.651 12.607 ( 2.464 0.000 -9.775) 10.081 12.682 ( -7.840 0.000 -6.455) 10.156 12.733 ( 6.968 0.000 12.646) 14.439 13.430 ( -4.829 0.000 1.197) 4.975 13.909 ( 0.577 0.000 -4.245) 4.284 14.544 ( 4.283 0.000 18.178) 18.676 15.137 ( 6.532 0.000 -7.282) 9.783 15.496 ( 2.927 0.000 -18.034) 18.270 15.531 ( -3.802 0.000 14.735) 15.218 16.000 ( -0.428 0.000 -5.727) 5.743 16.152 ( -4.298 0.000 1.529) 4.562 16.694 ( 0.689 0.000 -2.832) 2.915 16.718 ( -5.235 0.000 8.470) 9.958 16.999 ( 11.398 0.000 -5.488) 12.651 17.221 ( 15.213 0.000 2.683) 15.448 19.120 ( -3.134 0.000 -16.046) 16.349 19.178 ( -3.992 0.000 14.792) 15.321 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.942 0.000 6.461) 6.529 1.728 ( -7.558 0.000 -3.158) 8.191 1.902 ( 3.459 0.000 -13.535) 13.970 2.156 ( 12.480 0.000 -14.132) 18.854 2.271 ( 6.741 0.000 4.726) 8.233 2.479 ( 2.277 0.000 6.869) 7.236 2.896 ( -6.735 0.000 3.401) 7.545 3.025 ( -5.972 0.000 -6.203) 8.611 3.086 ( -7.373 0.000 -1.517) 7.528 3.381 ( -6.506 0.000 3.888) 7.579 3.517 ( -11.257 0.000 -8.158) 13.902 3.984 ( -4.775 0.000 9.898) 10.990 4.745 ( 7.078 0.000 4.295) 8.279 4.853 ( 10.556 0.000 -2.712) 10.898 5.147 ( 0.072 0.000 -8.610) 8.610 5.176 ( 5.296 0.000 1.105) 5.410 5.506 ( 9.016 0.000 -12.475) 15.392 5.608 ( 2.334 0.000 3.382) 4.109 5.743 ( -11.168 0.000 7.254) 13.317 5.960 ( -10.643 0.000 -6.737) 12.596 6.595 ( -1.654 0.000 2.676) 3.146 6.780 ( -1.563 0.000 1.748) 2.345 7.196 ( -6.266 0.000 8.517) 10.574 7.379 ( -1.485 0.000 -4.573) 4.808 7.541 ( -7.096 0.000 -3.973) 8.132 7.967 ( -3.423 0.000 4.613) 5.744 8.268 ( 10.262 0.000 5.956) 11.866 8.418 ( 3.979 0.000 -9.307) 10.122 8.517 ( 10.870 0.000 3.670) 11.473 8.714 ( -4.092 0.000 -0.252) 4.100 9.166 ( -5.526 0.000 -10.995) 12.306 9.301 ( -11.600 0.000 -1.795) 11.738 9.465 ( -4.054 0.000 1.345) 4.272 9.721 ( 6.554 0.000 3.860) 7.606 10.042 ( 3.170 0.000 6.405) 7.146 10.198 ( 2.935 0.000 -1.707) 3.395 10.528 ( 2.890 0.000 -3.596) 4.613 10.897 ( 10.189 0.000 -4.989) 11.344 10.948 ( 4.064 0.000 5.386) 6.747 11.045 ( 2.795 0.000 -0.410) 2.825 11.591 ( -3.863 0.000 3.501) 5.214 12.171 ( -6.569 0.000 4.249) 7.824 12.433 ( -8.677 0.000 -9.907) 13.170 12.527 ( -5.991 0.000 0.920) 6.061 12.578 ( 3.665 0.000 -6.714) 7.649 13.009 ( 8.852 0.000 8.844) 12.513 13.388 ( -2.884 0.000 3.076) 4.217 13.832 ( -3.255 0.000 -4.647) 5.674 14.846 ( 8.467 0.000 14.691) 16.956 15.116 ( 0.037 0.000 -6.367) 6.367 15.485 ( 13.919 0.000 -8.478) 16.298 15.638 ( -4.665 0.000 16.914) 17.545 15.933 ( -0.557 0.000 -4.291) 4.327 16.023 ( -10.499 0.000 -1.082) 10.554 16.665 ( 0.950 0.000 -4.261) 4.365 16.706 ( -5.982 0.000 6.027) 8.492 17.128 ( 11.472 0.000 -5.761) 12.837 17.537 ( 14.573 0.000 5.361) 15.528 18.905 ( -0.127 0.000 -15.740) 15.741 19.230 ( -6.900 0.000 10.342) 12.432 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 9.035 0.000 7.559) 11.780 1.632 ( -6.674 0.000 8.583) 10.872 1.849 ( 5.319 0.000 -7.742) 9.393 2.229 ( -5.561 0.000 -5.707) 7.968 2.241 ( 14.812 0.000 -11.488) 18.745 2.684 ( 0.985 0.000 9.700) 9.749 2.903 ( 0.989 0.000 7.741) 7.804 2.923 ( -7.005 0.000 -5.252) 8.755 2.937 ( -0.838 0.000 1.062) 1.353 3.137 ( -13.537 0.000 -8.006) 15.727 3.399 ( -3.253 0.000 5.545) 6.429 3.987 ( -6.956 0.000 7.701) 10.377 4.840 ( 4.045 0.000 -6.646) 7.780 4.893 ( 3.488 0.000 -12.581) 13.055 5.115 ( 6.463 0.000 -5.391) 8.416 5.263 ( 4.343 0.000 -1.192) 4.504 5.525 ( 5.790 0.000 -8.257) 10.085 5.596 ( -2.856 0.000 -4.064) 4.967 5.665 ( -3.969 0.000 2.669) 4.783 5.731 ( -7.637 0.000 -4.729) 8.983 6.643 ( 0.735 0.000 6.767) 6.806 6.805 ( -1.020 0.000 5.802) 5.891 7.142 ( -6.283 0.000 1.824) 6.542 7.312 ( -3.173 0.000 -0.363) 3.194 7.428 ( -4.926 0.000 1.820) 5.252 7.909 ( -4.980 0.000 -1.842) 5.310 8.358 ( 5.124 0.000 -10.626) 11.797 8.464 ( 4.901 0.000 4.604) 6.725 8.616 ( -5.206 0.000 -1.710) 5.480 8.801 ( 10.889 0.000 10.765) 15.312 8.970 ( -4.830 0.000 -7.591) 8.998 9.157 ( -5.339 0.000 2.208) 5.778 9.442 ( -1.801 0.000 2.886) 3.402 9.869 ( 3.600 0.000 4.895) 6.076 10.124 ( 0.829 0.000 2.217) 2.367 10.224 ( 4.079 0.000 -3.693) 5.502 10.557 ( 3.414 0.000 -1.724) 3.824 10.856 ( 1.087 0.000 -10.865) 10.920 11.073 ( 4.055 0.000 5.264) 6.644 11.226 ( 8.405 0.000 9.197) 12.459 11.604 ( -0.257 0.000 2.496) 2.509 12.082 ( -7.061 0.000 0.515) 7.080 12.176 ( -7.559 0.000 -9.918) 12.471 12.428 ( -5.816 0.000 -1.013) 5.903 12.599 ( 6.285 0.000 -4.113) 7.511 13.161 ( 1.269 0.000 1.100) 1.680 13.407 ( -0.529 0.000 5.149) 5.176 13.723 ( -2.559 0.000 -4.343) 5.040 15.047 ( 0.991 0.000 -5.556) 5.644 15.123 ( 6.672 0.000 10.511) 12.449 15.696 ( 14.951 0.000 -0.899) 14.978 15.733 ( -7.118 0.000 9.467) 11.844 15.831 ( -10.353 0.000 6.718) 12.342 15.901 ( 1.165 0.000 -0.687) 1.353 16.641 ( 1.820 0.000 -3.678) 4.104 16.660 ( -6.200 0.000 4.196) 7.486 17.249 ( 10.892 0.000 -5.731) 12.308 17.745 ( 3.995 0.000 1.222) 4.178 18.803 ( 7.582 0.000 -11.513) 13.786 19.180 ( -10.028 0.000 5.739) 11.554 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 2.572 0.000 0.343) 2.595 1.803 ( -12.604 0.000 2.996) 12.955 1.940 ( 12.497 0.000 22.349) 25.606 2.144 ( 13.294 0.000 -11.340) 17.474 2.392 ( 16.339 0.000 -7.657) 18.044 2.691 ( -20.447 0.000 -5.948) 21.295 2.719 ( -10.759 0.000 -3.847) 11.426 2.739 ( -1.770 0.000 5.366) 5.651 3.011 ( 5.927 0.000 1.875) 6.216 3.097 ( 0.201 0.000 3.901) 3.906 3.537 ( 8.837 0.000 10.897) 14.030 3.927 ( -8.742 0.000 4.947) 10.044 4.704 ( -2.097 0.000 -17.731) 17.854 4.750 ( -0.093 0.000 -16.168) 16.168 5.166 ( 6.341 0.000 -5.837) 8.619 5.260 ( -4.710 0.000 -2.271) 5.229 5.470 ( -4.418 0.000 -3.233) 5.474 5.495 ( -1.768 0.000 -1.077) 2.070 5.637 ( -0.150 0.000 -0.861) 0.874 5.676 ( 4.811 0.000 -4.280) 6.439 6.753 ( 1.207 0.000 8.561) 8.646 6.844 ( -1.804 0.000 4.330) 4.691 7.097 ( 0.330 0.000 1.825) 1.854 7.280 ( -0.924 0.000 1.246) 1.551 7.388 ( -3.874 0.000 3.127) 4.978 7.770 ( -3.508 0.000 -9.165) 9.813 8.369 ( 5.895 0.000 -4.709) 7.545 8.487 ( -1.833 0.000 -3.612) 4.051 8.571 ( -2.076 0.000 4.512) 4.967 8.838 ( -1.155 0.000 -5.586) 5.704 9.113 ( 8.852 0.000 14.152) 16.693 9.160 ( -1.354 0.000 6.644) 6.780 9.455 ( 0.304 0.000 0.937) 0.985 9.901 ( -3.121 0.000 -0.971) 3.268 10.124 ( -2.625 0.000 0.218) 2.634 10.253 ( 4.027 0.000 -3.293) 5.202 10.585 ( 1.132 0.000 -0.260) 1.161 10.777 ( 1.587 0.000 -6.103) 6.306 11.209 ( 4.122 0.000 6.873) 8.014 11.473 ( 7.850 0.000 10.089) 12.783 11.574 ( -6.345 0.000 -0.738) 6.387 11.954 ( -6.225 0.000 -3.219) 7.008 12.023 ( 2.428 0.000 -6.334) 6.783 12.309 ( -4.991 0.000 -4.342) 6.615 12.698 ( 8.393 0.000 -0.133) 8.394 13.069 ( -8.331 0.000 -4.956) 9.693 13.474 ( 1.023 0.000 5.246) 5.345 13.664 ( -0.005 0.000 -3.150) 3.150 15.044 ( 3.526 0.000 -1.494) 3.829 15.250 ( -2.697 0.000 2.267) 3.523 15.585 ( -9.310 0.000 3.954) 10.115 15.835 ( 6.176 0.000 -4.750) 7.791 15.908 ( -3.077 0.000 15.020) 15.332 16.032 ( 8.245 0.000 6.773) 10.671 16.610 ( -5.065 0.000 4.586) 6.832 16.644 ( 2.304 0.000 -1.996) 3.048 17.366 ( 11.025 0.000 -5.293) 12.229 17.687 ( -6.240 0.000 -6.176) 8.779 18.898 ( 13.589 0.000 -4.678) 14.371 19.027 ( -13.507 0.000 1.891) 13.639 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -7.657 0.000 -2.232) 7.976 1.674 ( 6.585 0.000 7.826) 10.228 2.252 ( -16.563 0.000 -4.194) 17.085 2.263 ( 5.886 0.000 -5.107) 7.793 2.361 ( 10.530 0.000 -3.663) 11.149 2.565 ( -5.340 0.000 10.539) 11.815 2.614 ( 17.594 0.000 -2.462) 17.766 2.765 ( -0.749 0.000 2.952) 3.046 3.084 ( -3.282 0.000 -0.220) 3.289 3.139 ( 6.261 0.000 1.404) 6.417 3.805 ( -9.987 0.000 0.881) 10.026 3.852 ( 12.286 0.000 10.562) 16.202 4.485 ( -0.380 0.000 -12.328) 12.333 4.550 ( -0.167 0.000 -16.927) 16.928 5.048 ( -14.739 0.000 -1.132) 14.782 5.198 ( 1.968 0.000 -0.591) 2.055 5.392 ( -5.551 0.000 -0.104) 5.552 5.467 ( 0.051 0.000 -1.284) 1.285 5.686 ( 7.392 0.000 -1.292) 7.504 5.697 ( 3.206 0.000 -3.904) 5.051 6.853 ( 1.368 0.000 5.322) 5.495 6.858 ( 0.040 0.000 2.200) 2.201 7.220 ( 6.008 0.000 9.267) 11.044 7.280 ( 0.323 0.000 -3.202) 3.218 7.369 ( -0.220 0.000 0.171) 0.279 7.630 ( 0.342 0.000 -8.276) 8.283 8.383 ( -6.341 0.000 -3.052) 7.038 8.415 ( 3.198 0.000 -1.197) 3.415 8.610 ( 1.383 0.000 4.077) 4.305 8.802 ( 3.700 0.000 -5.651) 6.755 9.232 ( -0.265 0.000 7.662) 7.666 9.374 ( 1.085 0.000 8.495) 8.564 9.485 ( 5.109 0.000 3.609) 6.255 9.745 ( -7.589 0.000 -10.151) 12.674 10.059 ( -6.262 0.000 2.725) 6.829 10.281 ( 3.421 0.000 -2.965) 4.527 10.589 ( -1.415 0.000 1.787) 2.279 10.754 ( 1.836 0.000 -4.528) 4.886 11.355 ( 1.397 0.000 9.559) 9.661 11.381 ( -11.959 0.000 -2.209) 12.161 11.733 ( 9.534 0.000 9.727) 13.620 11.809 ( -4.061 0.000 -6.675) 7.814 12.101 ( 9.457 0.000 -0.673) 9.481 12.162 ( -3.725 0.000 -8.227) 9.031 12.828 ( -12.171 0.000 -5.387) 13.310 12.863 ( 8.289 0.000 3.733) 9.091 13.546 ( 1.323 0.000 3.745) 3.972 13.631 ( 0.272 0.000 -3.440) 3.451 15.102 ( -11.301 0.000 -1.951) 11.468 15.127 ( 5.195 0.000 2.754) 5.880 15.554 ( -5.796 0.000 8.198) 10.040 15.878 ( 6.614 0.000 -5.893) 8.859 16.006 ( -2.326 0.000 8.866) 9.166 16.190 ( 3.176 0.000 3.195) 4.505 16.611 ( -2.242 0.000 5.687) 6.113 16.664 ( 1.464 0.000 -0.454) 1.533 17.459 ( -8.890 0.000 -9.144) 12.753 17.512 ( 12.074 0.000 -2.410) 12.312 18.775 ( -17.627 0.000 -0.333) 17.630 19.104 ( 14.074 0.000 -1.145) 14.120 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -1.366 0.000 -2.364) 2.730 1.660 ( -17.878 0.000 -0.619) 17.889 1.905 ( -13.156 0.000 -2.816) 13.454 2.280 ( 13.113 0.000 -8.909) 15.853 2.492 ( 7.161 0.000 -8.889) 11.415 2.653 ( -3.069 0.000 10.619) 11.053 2.785 ( 0.833 0.000 0.557) 1.002 2.898 ( 15.544 0.000 2.242) 15.705 3.017 ( -1.770 0.000 -1.317) 2.206 3.222 ( 3.005 0.000 -1.890) 3.550 3.638 ( -5.992 0.000 -3.606) 6.993 4.143 ( 10.663 0.000 5.360) 11.934 4.423 ( 2.395 0.000 -6.260) 6.703 4.463 ( 3.822 0.000 1.003) 3.951 4.838 ( -10.747 0.000 4.871) 11.799 5.204 ( -4.360 0.000 3.488) 5.583 5.263 ( -10.358 0.000 1.704) 10.497 5.478 ( 4.069 0.000 -1.311) 4.275 5.703 ( 1.910 0.000 -2.023) 2.782 5.839 ( 13.484 0.000 -3.048) 13.825 6.909 ( 3.472 0.000 0.698) 3.542 6.924 ( 2.159 0.000 1.780) 2.798 7.201 ( 0.363 0.000 -8.563) 8.571 7.344 ( -3.050 0.000 6.031) 6.758 7.510 ( 13.681 0.000 5.614) 14.788 7.616 ( 4.769 0.000 -3.623) 5.989 8.224 ( -8.269 0.000 -2.004) 8.508 8.459 ( 2.743 0.000 1.151) 2.974 8.699 ( 2.382 0.000 5.098) 5.627 8.794 ( 2.732 0.000 -7.118) 7.625 9.284 ( -4.515 0.000 0.874) 4.599 9.317 ( -7.144 0.000 -1.987) 7.415 9.482 ( -4.493 0.000 -9.378) 10.398 9.693 ( 5.300 0.000 8.841) 10.308 9.985 ( -7.618 0.000 4.695) 8.949 10.294 ( 3.023 0.000 -4.090) 5.086 10.592 ( -1.994 0.000 4.238) 4.684 10.713 ( 0.016 0.000 -5.780) 5.780 11.177 ( -9.877 0.000 -0.358) 9.884 11.412 ( -7.799 0.000 6.674) 10.264 11.700 ( 0.244 0.000 -5.674) 5.679 12.008 ( 11.718 0.000 7.140) 13.722 12.032 ( 0.593 0.000 -7.741) 7.763 12.273 ( 9.699 0.000 1.746) 9.855 12.577 ( -10.837 0.000 -4.073) 11.578 13.030 ( 4.878 0.000 5.232) 7.153 13.597 ( 0.611 0.000 -3.762) 3.811 13.599 ( 1.007 0.000 2.370) 2.575 14.908 ( -10.874 0.000 1.748) 11.014 15.247 ( 3.827 0.000 3.210) 4.995 15.513 ( -10.274 0.000 6.542) 12.180 15.926 ( 8.329 0.000 -7.148) 10.975 15.998 ( -4.944 0.000 0.030) 4.944 16.248 ( 1.888 0.000 1.573) 2.458 16.624 ( -1.199 0.000 0.630) 1.355 16.682 ( 0.758 0.000 0.895) 1.173 17.245 ( -5.083 0.000 -6.136) 7.968 17.708 ( 11.630 0.000 0.984) 11.671 18.441 ( -22.336 0.000 0.921) 22.355 19.320 ( 12.647 0.000 -0.713) 12.667 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -24.748 0.000 0.802) 24.761 1.354 ( -20.725 0.000 7.550) 22.057 1.866 ( 14.254 0.000 -11.978) 18.619 2.198 ( -19.437 0.000 1.249) 19.477 2.392 ( 0.313 0.000 -15.367) 15.370 2.797 ( 0.769 0.000 0.534) 0.937 2.807 ( 9.758 0.000 3.585) 10.396 3.046 ( 4.451 0.000 1.130) 4.592 3.150 ( 5.775 0.000 -4.044) 7.050 3.201 ( 7.926 0.000 -0.708) 7.957 3.586 ( 3.496 0.000 -2.625) 4.372 4.286 ( 7.045 0.000 -4.413) 8.313 4.515 ( 3.790 0.000 9.936) 10.634 4.535 ( -0.549 0.000 5.628) 5.655 4.838 ( -0.341 0.000 8.473) 8.480 5.110 ( -11.139 0.000 3.736) 11.749 5.111 ( -10.102 0.000 2.408) 10.385 5.584 ( 7.132 0.000 0.123) 7.133 5.737 ( 4.409 0.000 1.542) 4.671 6.054 ( 17.675 0.000 -5.335) 18.462 6.921 ( 2.155 0.000 -8.098) 8.380 6.954 ( 1.501 0.000 -1.950) 2.461 7.216 ( 8.701 0.000 0.026) 8.701 7.348 ( -1.123 0.000 0.538) 1.245 7.661 ( 5.146 0.000 -4.247) 6.672 7.809 ( 8.683 0.000 11.907) 14.737 8.094 ( -4.687 0.000 -0.657) 4.733 8.542 ( 4.240 0.000 1.888) 4.641 8.699 ( -3.491 0.000 -8.662) 9.339 8.774 ( -3.133 0.000 5.857) 6.642 9.007 ( -10.507 0.000 -12.931) 16.662 9.151 ( -11.703 0.000 3.149) 12.119 9.496 ( 3.260 0.000 0.831) 3.364 9.797 ( 0.033 0.000 0.856) 0.857 9.936 ( -4.393 0.000 6.922) 8.198 10.298 ( 3.540 0.000 -4.860) 6.013 10.622 ( -0.697 0.000 4.637) 4.689 10.629 ( -1.808 0.000 -6.101) 6.363 11.053 ( -5.554 0.000 0.647) 5.592 11.262 ( -11.270 0.000 -1.895) 11.429 11.654 ( -0.319 0.000 -2.456) 2.476 12.042 ( 2.965 0.000 2.491) 3.872 12.272 ( 13.109 0.000 2.342) 13.317 12.406 ( -5.150 0.000 -0.719) 5.200 12.442 ( 7.375 0.000 2.311) 7.728 13.118 ( -0.484 0.000 2.922) 2.962 13.571 ( 1.690 0.000 -3.960) 4.306 13.644 ( 1.216 0.000 2.916) 3.159 14.793 ( -9.250 0.000 7.375) 11.830 15.289 ( 0.805 0.000 -3.139) 3.241 15.328 ( -17.376 0.000 1.639) 17.453 15.892 ( -3.596 0.000 -2.816) 4.568 16.014 ( 9.797 0.000 -3.727) 10.482 16.305 ( 3.763 0.000 -0.154) 3.766 16.582 ( -0.514 0.000 -5.137) 5.163 16.715 ( 1.115 0.000 1.602) 1.952 17.154 ( -0.707 0.000 -2.985) 3.067 17.814 ( -1.720 0.000 -10.112) 10.258 18.153 ( -15.220 0.000 16.859) 22.713 19.496 ( 10.294 0.000 -2.309) 10.550 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -15.466 0.000 24.381) 28.873 1.130 ( -21.329 0.000 17.604) 27.655 1.798 ( -34.234 0.000 11.752) 36.195 1.938 ( 14.286 0.000 -20.559) 25.035 2.271 ( 5.545 0.000 -10.381) 11.769 2.842 ( -1.583 0.000 -10.939) 11.053 2.856 ( 3.565 0.000 3.332) 4.880 3.147 ( 4.326 0.000 2.619) 5.057 3.154 ( 9.128 0.000 -5.533) 10.674 3.444 ( 10.427 0.000 5.207) 11.655 3.640 ( 5.141 0.000 -2.728) 5.820 4.326 ( 4.776 0.000 -6.047) 7.705 4.594 ( -2.051 0.000 8.091) 8.347 4.674 ( 1.150 0.000 8.125) 8.206 4.897 ( -2.342 0.000 3.222) 3.983 4.968 ( -9.251 0.000 4.047) 10.098 5.006 ( -7.422 0.000 8.128) 11.007 5.627 ( 0.271 0.000 -1.535) 1.559 5.934 ( 11.967 0.000 5.011) 12.974 6.283 ( 17.771 0.000 -8.198) 19.570 6.877 ( 6.935 0.000 -9.686) 11.912 6.938 ( 1.294 0.000 -4.411) 4.596 7.312 ( -1.904 0.000 -1.823) 2.637 7.417 ( 11.151 0.000 2.322) 11.390 7.680 ( 4.192 0.000 -5.695) 7.071 7.934 ( -9.290 0.000 7.436) 11.899 8.150 ( 8.487 0.000 5.926) 10.351 8.375 ( -11.978 0.000 -14.459) 18.776 8.548 ( -14.700 0.000 -8.740) 17.102 8.716 ( 3.451 0.000 5.014) 6.087 8.938 ( 1.973 0.000 5.472) 5.817 9.072 ( -8.491 0.000 15.728) 17.873 9.501 ( -1.968 0.000 -0.399) 2.008 9.752 ( 0.111 0.000 -4.625) 4.627 10.028 ( 3.887 0.000 7.375) 8.337 10.281 ( 2.152 0.000 -7.598) 7.897 10.531 ( -1.953 0.000 -4.214) 4.644 10.645 ( -1.272 0.000 1.074) 1.665 10.987 ( -2.896 0.000 -0.989) 3.060 11.043 ( -10.858 0.000 -3.046) 11.277 11.708 ( 5.655 0.000 2.891) 6.351 12.114 ( -3.633 0.000 9.833) 10.483 12.414 ( 3.461 0.000 3.562) 4.967 12.473 ( 11.136 0.000 -4.782) 12.119 12.570 ( 4.655 0.000 3.645) 5.912 13.075 ( -4.183 0.000 -2.522) 4.884 13.576 ( 4.152 0.000 -3.399) 5.365 13.700 ( -0.403 0.000 4.479) 4.498 14.730 ( -14.146 0.000 11.691) 18.352 15.064 ( -11.114 0.000 1.039) 11.163 15.226 ( 2.265 0.000 -10.715) 10.952 15.848 ( -0.752 0.000 1.053) 1.294 16.143 ( 6.866 0.000 0.191) 6.869 16.352 ( 7.307 0.000 -9.222) 11.766 16.510 ( -1.265 0.000 -3.230) 3.469 16.744 ( -0.334 0.000 2.316) 2.340 17.112 ( 0.853 0.000 -5.594) 5.659 17.451 ( -20.648 0.000 -8.996) 22.522 18.303 ( 0.527 0.000 20.588) 20.595 19.601 ( 7.117 0.000 -5.107) 8.760 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -14.047 0.000 25.947) 29.505 1.178 ( -18.942 0.000 24.675) 31.108 1.500 ( -15.256 0.000 32.098) 35.539 1.909 ( 13.804 0.000 -22.637) 26.514 2.365 ( 12.968 0.000 -2.291) 13.169 2.643 ( -1.506 0.000 -16.800) 16.867 2.961 ( 2.161 0.000 5.484) 5.894 3.223 ( 0.377 0.000 2.681) 2.707 3.242 ( 6.777 0.000 -3.985) 7.862 3.603 ( 2.544 0.000 -1.155) 2.794 3.684 ( 4.050 0.000 0.500) 4.080 4.295 ( 1.667 0.000 -9.268) 9.417 4.613 ( -4.621 0.000 4.339) 6.339 4.686 ( -3.423 0.000 -0.120) 3.425 4.888 ( -4.170 0.000 7.589) 8.659 4.973 ( -0.690 0.000 9.901) 9.925 5.048 ( -2.168 0.000 11.256) 11.463 5.597 ( -0.829 0.000 -2.147) 2.301 6.148 ( 6.434 0.000 2.388) 6.863 6.415 ( 11.553 0.000 -12.174) 16.783 6.914 ( 2.133 0.000 -4.143) 4.660 6.966 ( 14.360 0.000 -7.054) 15.999 7.266 ( -2.149 0.000 0.259) 2.164 7.514 ( 0.588 0.000 -6.822) 6.848 7.737 ( 8.890 0.000 -1.424) 9.003 7.771 ( -13.586 0.000 -0.336) 13.590 8.013 ( -12.148 0.000 -9.033) 15.139 8.248 ( -7.174 0.000 -4.984) 8.735 8.377 ( 4.599 0.000 7.672) 8.945 8.749 ( -3.011 0.000 1.199) 3.241 9.079 ( 3.748 0.000 10.836) 11.466 9.242 ( 0.481 0.000 21.345) 21.351 9.478 ( -0.894 0.000 1.788) 1.999 9.765 ( 6.255 0.000 -1.463) 6.424 10.109 ( -2.322 0.000 0.606) 2.399 10.192 ( -0.114 0.000 -11.030) 11.031 10.533 ( 4.877 0.000 2.452) 5.459 10.592 ( -3.756 0.000 -3.113) 4.878 10.870 ( -7.287 0.000 0.690) 7.320 10.915 ( -2.638 0.000 -3.947) 4.747 11.796 ( 3.536 0.000 -2.087) 4.106 12.194 ( -1.454 0.000 13.741) 13.817 12.482 ( -0.983 0.000 -8.726) 8.781 12.544 ( 3.579 0.000 6.613) 7.520 12.687 ( 5.505 0.000 0.133) 5.507 12.970 ( -0.847 0.000 -6.135) 6.193 13.637 ( 7.536 0.000 -2.809) 8.042 13.703 ( -5.332 0.000 4.004) 6.668 14.537 ( -20.691 0.000 10.301) 23.113 15.068 ( 1.578 0.000 9.691) 9.819 15.155 ( 7.265 0.000 -15.320) 16.955 15.876 ( 1.055 0.000 3.332) 3.495 16.204 ( -0.230 0.000 -0.410) 0.470 16.292 ( 7.165 0.000 -23.563) 24.629 16.516 ( -0.643 0.000 6.610) 6.641 16.753 ( -1.933 0.000 2.355) 3.047 17.046 ( -16.678 0.000 -3.882) 17.124 17.063 ( 2.094 0.000 -7.043) 7.348 18.561 ( 1.628 0.000 21.064) 21.127 19.612 ( 3.375 0.000 -8.565) 9.206 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -11.954 7.458 18.244) 23.051 1.480 ( -2.140 13.020 22.840) 26.377 1.837 ( 10.302 1.249 -15.819) 18.919 2.159 ( 5.604 14.555 7.413) 17.269 2.443 ( 3.114 2.618 0.096) 4.070 2.682 ( 8.300 6.223 -0.955) 10.418 2.986 ( -1.072 -4.449 4.181) 6.198 3.221 ( -2.140 0.634 2.526) 3.371 3.254 ( 0.970 -2.427 -5.780) 6.343 3.453 ( -4.238 -4.449 -8.569) 10.544 3.745 ( 1.272 -3.425 7.474) 8.319 4.123 ( -1.533 -5.565 -8.508) 10.281 4.605 ( -5.129 4.701 0.849) 7.009 4.678 ( 0.051 3.980 -0.555) 4.019 4.940 ( -0.755 -0.108 7.420) 7.459 5.006 ( -1.216 -4.267 6.794) 8.114 5.236 ( 0.922 4.872 11.146) 12.199 5.526 ( -0.103 -2.938 -1.173) 3.165 6.140 ( -3.243 -2.577 -1.943) 4.575 6.372 ( 5.119 -4.980 -10.811) 12.957 6.815 ( -0.032 -6.427 0.906) 6.491 7.005 ( -3.718 -5.311 -5.645) 8.596 7.309 ( 5.906 3.041 -1.597) 6.832 7.388 ( -1.741 -2.910 -4.782) 5.862 7.646 ( -4.992 5.026 -1.883) 7.330 7.779 ( 0.372 1.450 -6.599) 6.766 7.898 ( 5.725 -1.770 2.370) 6.444 8.072 ( -1.432 -2.683 -4.894) 5.762 8.480 ( 3.115 -5.511 6.420) 9.016 8.611 ( -3.265 -6.762 0.053) 7.510 9.256 ( 3.994 -2.881 13.338) 14.218 9.411 ( 1.206 -3.767 10.559) 11.275 9.583 ( 0.109 5.651 1.965) 5.984 9.877 ( 1.540 -3.076 -10.212) 10.776 10.014 ( -3.809 2.602 -0.505) 4.641 10.100 ( 1.839 4.204 -1.652) 4.877 10.511 ( -1.813 1.723 1.742) 3.049 10.753 ( 4.371 3.997 3.954) 7.122 10.832 ( -3.269 5.263 -1.930) 6.489 10.913 ( -1.890 6.847 -4.605) 8.465 11.813 ( 2.520 -2.058 3.751) 4.965 12.167 ( -3.058 -6.872 -8.152) 11.092 12.367 ( 0.418 -0.865 10.128) 10.173 12.615 ( -3.339 -3.273 3.842) 6.052 12.789 ( 2.737 5.609 -1.984) 6.549 12.982 ( 0.303 6.060 -7.497) 9.645 13.621 ( -6.100 0.424 2.394) 6.567 13.757 ( 9.823 -0.333 -3.634) 10.479 14.355 ( -15.961 0.277 15.659) 22.362 15.037 ( 7.154 -4.966 -9.113) 12.605 15.294 ( 3.747 2.493 6.178) 7.643 15.928 ( 2.301 -4.719 -4.160) 6.698 16.062 ( 1.711 0.098 -13.009) 13.121 16.151 ( -5.019 0.455 -2.218) 5.506 16.449 ( -2.086 -6.625 6.475) 9.496 16.763 ( 2.737 -4.540 -6.061) 8.052 17.038 ( -0.777 16.158 1.286) 16.228 17.163 ( 0.228 12.007 -4.232) 12.733 18.789 ( 0.909 -2.513 20.196) 20.372 19.475 ( -0.384 -4.340 -11.498) 12.296 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 2.590 11.078 13.957) 18.006 1.709 ( 0.414 12.860 17.909) 22.052 1.853 ( 15.080 -6.421 -17.541) 24.007 2.227 ( 7.649 5.239 -13.103) 16.051 2.430 ( -10.531 7.641 1.877) 13.146 2.791 ( 3.874 9.177 -4.018) 10.741 2.981 ( -4.755 -5.452 3.608) 8.084 3.179 ( -2.515 -4.180 1.356) 5.063 3.244 ( 0.128 -1.359 1.286) 1.876 3.309 ( -3.100 -1.301 -2.514) 4.197 3.839 ( -1.363 -2.658 8.859) 9.350 3.976 ( -4.135 -4.442 -9.013) 10.866 4.531 ( -4.102 2.961 2.309) 5.562 4.669 ( 0.376 4.468 -0.240) 4.490 5.028 ( 1.102 1.571 7.014) 7.272 5.085 ( 2.584 -6.174 3.478) 7.542 5.372 ( 1.759 4.541 8.895) 10.141 5.523 ( 2.151 -2.261 -2.959) 4.301 6.008 ( -9.078 -1.920 -1.154) 9.351 6.301 ( -0.768 -5.190 -8.000) 9.567 6.805 ( -2.643 -2.717 2.336) 4.452 6.843 ( -8.741 -2.346 -3.618) 9.747 7.201 ( -4.481 -2.587 -1.771) 5.469 7.483 ( 1.104 -0.200 -2.791) 3.008 7.590 ( 5.136 -2.429 0.376) 5.694 7.831 ( 7.960 4.714 -0.535) 9.267 8.003 ( 0.614 0.573 -3.891) 3.981 8.036 ( 7.385 -4.578 0.013) 8.689 8.507 ( -4.066 -7.829 0.474) 8.834 8.634 ( 4.157 -4.378 1.911) 6.333 9.447 ( 0.417 -4.169 10.574) 11.374 9.479 ( -3.412 -2.648 2.292) 4.890 9.604 ( 2.660 2.589 0.195) 3.717 9.719 ( -1.674 -1.589 -12.234) 12.450 9.939 ( -4.723 5.767 1.233) 7.555 10.135 ( 3.299 2.523 -1.172) 4.316 10.598 ( 0.537 3.087 7.946) 8.541 10.718 ( -0.739 3.247 -5.214) 6.187 10.802 ( -0.300 6.529 0.089) 6.537 10.957 ( 7.386 4.335 1.047) 8.629 11.918 ( -2.141 -4.214 1.261) 4.892 11.967 ( -2.237 -2.896 -4.130) 5.518 12.497 ( -1.388 -2.650 6.849) 7.474 12.577 ( -3.047 -4.812 3.556) 6.715 12.792 ( 0.884 8.731 -1.644) 8.928 12.912 ( 0.382 5.316 -5.771) 7.856 13.539 ( -5.780 2.359 0.904) 6.308 13.850 ( 5.860 -3.144 -4.298) 7.918 14.374 ( -4.866 3.096 18.947) 19.806 15.056 ( 9.414 -4.438 -11.022) 15.159 15.424 ( -1.432 0.509 10.568) 10.677 15.704 ( -3.950 -2.665 -17.188) 17.836 16.028 ( -2.177 -2.316 -3.825) 4.973 16.178 ( 5.437 1.876 2.482) 6.264 16.511 ( 1.458 -4.486 6.542) 8.066 16.811 ( 10.737 -4.182 -6.794) 13.377 17.045 ( -1.294 17.102 2.791) 17.377 17.126 ( 1.332 8.353 -3.251) 9.061 19.001 ( -1.575 -2.979 17.886) 18.201 19.298 ( -3.230 -4.426 -14.103) 15.131 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 7.741 11.518 7.549) 15.798 1.817 ( 8.487 -3.976 -10.267) 13.901 1.959 ( 6.278 0.681 -2.789) 6.904 2.128 ( -17.974 2.687 -4.988) 18.846 2.229 ( 7.530 8.386 -2.825) 11.619 2.733 ( 0.315 15.126 -8.614) 17.410 2.922 ( -7.315 -5.357 4.279) 10.026 3.121 ( -1.934 -6.237 -7.064) 9.620 3.223 ( -4.998 -1.184 2.049) 5.530 3.323 ( -2.476 -0.929 7.301) 7.765 3.759 ( -7.978 -3.760 -9.148) 12.707 3.914 ( -3.277 -2.333 8.643) 9.533 4.560 ( 2.688 -0.578 4.862) 5.586 4.717 ( 4.975 1.117 1.493) 5.313 5.097 ( 0.946 -0.953 -1.371) 1.919 5.168 ( 3.651 -0.481 4.032) 5.461 5.460 ( 0.821 -0.837 -0.789) 1.413 5.548 ( 6.514 1.440 -2.175) 7.017 5.851 ( -11.319 -1.421 4.337) 12.204 6.166 ( -5.942 -2.860 -6.130) 9.004 6.678 ( -6.308 1.085 -1.486) 6.571 6.799 ( -1.521 0.223 2.730) 3.133 7.163 ( -1.934 -3.912 3.650) 5.689 7.408 ( -3.351 -1.868 -3.180) 4.983 7.661 ( 1.083 -3.952 -3.086) 5.129 7.947 ( -1.004 2.662 3.731) 4.692 7.996 ( 5.058 -3.235 0.577) 6.032 8.202 ( 11.116 -6.008 1.200) 12.693 8.458 ( 1.484 -3.669 -3.008) 4.971 8.689 ( 0.735 -4.757 -0.952) 4.907 9.344 ( -4.191 -2.050 -8.905) 10.053 9.491 ( -6.806 -2.886 3.741) 8.285 9.596 ( -3.619 3.069 -5.025) 6.911 9.650 ( 2.463 2.570 1.809) 3.993 9.946 ( 2.897 5.004 4.396) 7.263 10.172 ( 1.457 0.999 -0.313) 1.794 10.608 ( -0.318 4.463 -1.061) 4.599 10.715 ( 5.209 0.824 -1.697) 5.540 10.906 ( 5.627 6.467 6.441) 10.722 11.076 ( 6.298 4.514 -2.000) 8.003 11.718 ( -7.919 1.996 -4.612) 9.379 12.048 ( -1.181 -9.972 6.333) 11.872 12.412 ( -6.538 -10.942 -2.210) 12.937 12.626 ( -1.527 0.033 2.697) 3.099 12.767 ( -0.551 8.648 -4.902) 9.956 12.936 ( 5.878 11.448 4.454) 13.618 13.456 ( -4.815 2.266 0.567) 5.352 13.856 ( 0.096 -4.322 -2.850) 5.178 14.588 ( 5.124 3.857 15.985) 17.224 15.102 ( 7.560 -2.906 -6.650) 10.479 15.431 ( -2.572 -3.626 -2.202) 4.961 15.559 ( 0.087 1.291 -0.832) 1.539 15.969 ( -0.374 -1.748 -2.383) 2.979 16.210 ( -3.319 1.523 0.090) 3.652 16.621 ( 2.348 3.437 3.184) 5.240 16.934 ( 10.883 -1.495 -5.176) 12.144 17.031 ( -1.947 13.559 -0.313) 13.702 17.218 ( 11.023 1.178 3.757) 11.705 19.051 ( -4.630 -5.898 -13.422) 15.375 19.145 ( -4.037 -3.369 11.968) 13.072 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.207 10.537 4.912) 11.688 1.743 ( -4.662 1.621 -5.112) 7.106 1.908 ( 4.477 -0.066 -13.120) 13.863 1.985 ( 5.314 -4.743 -5.565) 9.039 2.427 ( 7.003 4.864 10.604) 13.607 2.649 ( -1.067 14.854 -4.883) 15.672 2.846 ( -6.489 -3.928 3.276) 8.263 2.998 ( -1.644 -3.694 -6.328) 7.509 3.120 ( -8.307 3.261 1.268) 9.013 3.325 ( -6.036 -4.323 4.788) 8.835 3.494 ( -10.769 -2.186 -8.698) 14.014 3.940 ( -5.235 -4.203 8.224) 10.616 4.693 ( 7.116 -3.866 2.117) 8.370 4.853 ( 9.293 -1.164 -0.930) 9.411 5.043 ( 0.597 -5.929 -7.298) 9.422 5.248 ( 2.224 4.084 -1.710) 4.955 5.457 ( 5.241 -2.649 -5.357) 7.949 5.627 ( 3.886 -0.405 -2.292) 4.530 5.732 ( -11.050 -0.909 7.087) 13.159 5.971 ( -8.163 0.918 -6.767) 10.643 6.605 ( -2.106 0.231 0.487) 2.174 6.827 ( -0.400 4.231 5.601) 7.031 7.190 ( -2.544 -1.903 5.835) 6.643 7.320 ( -3.833 -2.330 -1.525) 4.738 7.575 ( -3.445 0.641 -4.999) 6.105 7.914 ( -6.976 -4.220 3.964) 9.066 8.115 ( 5.447 -9.335 1.215) 10.876 8.336 ( 4.046 -12.831 -2.088) 13.615 8.565 ( 10.933 6.169 1.734) 12.673 8.640 ( -2.158 -4.739 -1.956) 5.562 9.180 ( -2.391 0.676 -9.491) 9.811 9.373 ( -9.485 4.662 0.471) 10.580 9.464 ( -3.964 1.293 -3.486) 5.435 9.754 ( 4.038 1.011 6.268) 7.524 10.087 ( 5.781 4.853 4.595) 8.837 10.181 ( 1.750 -1.500 -1.383) 2.688 10.610 ( 3.024 7.024 -2.361) 8.003 10.842 ( 8.893 -0.599 0.098) 8.913 11.074 ( 5.687 4.985 6.522) 9.986 11.090 ( 1.023 5.682 -5.857) 8.224 11.608 ( -3.920 1.778 2.731) 5.097 12.048 ( -4.247 -9.568 2.843) 10.847 12.262 ( -7.188 -10.843 -4.394) 13.732 12.570 ( -5.714 1.709 -0.213) 5.968 12.714 ( 2.338 10.385 -5.504) 11.984 13.123 ( 7.015 8.521 4.904) 12.078 13.406 ( -2.737 1.302 2.337) 3.827 13.798 ( -2.734 -2.786 -3.269) 5.092 14.835 ( 6.496 -0.976 6.507) 9.246 15.147 ( 3.596 2.987 1.449) 4.894 15.453 ( 7.722 -3.523 -0.367) 8.496 15.595 ( 0.014 -0.628 6.186) 6.217 15.957 ( -0.609 0.825 0.774) 1.285 16.098 ( -7.482 5.268 -2.367) 9.452 16.644 ( -0.506 4.407 0.103) 4.437 16.940 ( -4.647 14.820 -0.935) 15.560 17.085 ( 11.006 -3.761 -5.534) 12.880 17.515 ( 14.230 -1.818 6.769) 15.863 18.815 ( -2.150 -8.091 -15.800) 17.881 19.182 ( -7.174 -4.539 9.814) 12.976 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 6.375 6.242 0.621) 8.943 1.660 ( -4.946 3.679 12.888) 14.286 1.891 ( 3.844 3.500 -4.728) 7.028 2.002 ( 7.074 -7.300 -9.569) 13.961 2.511 ( -1.076 9.063 -4.726) 10.278 2.682 ( 2.834 1.904 7.487) 8.229 2.819 ( -0.517 -2.470 3.928) 4.669 2.901 ( -6.549 -1.491 -3.308) 7.487 3.073 ( -0.465 7.678 3.234) 8.344 3.149 ( -11.068 0.653 -6.584) 12.895 3.339 ( -3.128 -5.192 5.100) 7.922 3.921 ( -7.039 -5.971 6.259) 11.153 4.792 ( 5.414 -4.274 -6.039) 9.168 4.875 ( 2.673 -1.511 -12.548) 12.918 5.071 ( 7.910 -4.656 -2.720) 9.573 5.212 ( 2.004 -3.034 -7.759) 8.569 5.472 ( 1.313 -2.372 -4.244) 5.036 5.615 ( -4.586 -5.742 -1.265) 7.456 5.636 ( -5.461 1.721 2.962) 6.447 5.783 ( -3.534 4.141 -6.369) 8.378 6.615 ( 0.754 -1.191 3.575) 3.843 6.900 ( -1.038 6.624 7.138) 9.793 7.163 ( -5.827 1.822 1.832) 6.374 7.276 ( 0.428 -1.549 0.462) 1.672 7.488 ( -3.291 3.144 -0.251) 4.558 7.815 ( -6.966 -7.415 -1.000) 10.223 8.157 ( 3.093 -11.196 -4.862) 12.591 8.380 ( 0.751 -13.799 1.744) 13.929 8.548 ( -0.734 -6.390 -1.562) 6.619 8.805 ( 6.899 5.726 4.936) 10.234 9.057 ( -1.571 4.739 -6.618) 8.290 9.274 ( -0.225 6.402 -0.036) 6.406 9.395 ( -3.942 -0.286 3.077) 5.008 9.890 ( 2.141 -0.100 6.706) 7.040 10.172 ( 3.063 4.195 -1.118) 5.313 10.250 ( 4.018 2.044 2.978) 5.403 10.640 ( 3.528 7.699 -3.001) 8.985 10.894 ( 1.827 3.521 -9.445) 10.245 11.088 ( 2.780 1.445 4.407) 5.408 11.256 ( 6.707 2.259 7.690) 10.451 11.606 ( -1.840 0.054 2.541) 3.138 11.979 ( -6.103 -9.094 -1.074) 11.005 12.095 ( -4.273 -4.901 -5.121) 8.276 12.463 ( -6.007 2.522 -0.947) 6.583 12.726 ( 4.888 10.249 -3.044) 11.756 13.216 ( 0.887 4.321 -0.883) 4.499 13.424 ( 0.230 0.953 3.674) 3.802 13.703 ( -3.324 -1.541 -3.746) 5.240 14.920 ( 4.291 -4.966 -2.756) 7.118 15.310 ( 5.092 10.294 10.612) 15.637 15.595 ( 1.159 -6.903 7.453) 10.225 15.697 ( 3.271 0.830 2.297) 4.082 15.897 ( -3.813 3.028 1.008) 4.972 16.025 ( -0.001 8.539 2.798) 8.986 16.636 ( -0.265 3.023 -0.032) 3.035 16.833 ( -5.496 12.348 -2.255) 13.703 17.202 ( 10.488 -3.984 -5.601) 12.540 17.743 ( 4.300 -0.184 2.419) 4.937 18.677 ( 6.057 -11.563 -11.658) 17.502 19.123 ( -10.137 -5.413 5.250) 12.634 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 1.629 0.636 -0.773) 1.912 1.784 ( -12.135 -2.125 0.127) 12.320 1.997 ( 11.517 4.987 20.740) 24.241 2.122 ( 18.069 1.228 -7.155) 19.473 2.487 ( 5.341 4.625 -4.551) 8.404 2.721 ( -9.890 0.767 -1.778) 10.078 2.748 ( -12.708 4.284 -3.709) 13.914 2.780 ( -1.184 4.906 4.529) 6.781 2.978 ( 4.559 -2.065 1.185) 5.144 3.128 ( -1.245 2.071 0.788) 2.542 3.495 ( 8.995 -3.454 11.155) 14.740 3.848 ( -8.547 -6.855 4.071) 11.688 4.689 ( -1.189 -1.487 -17.241) 17.346 4.740 ( 0.502 -0.835 -15.273) 15.305 5.106 ( 3.107 -4.872 -6.049) 8.365 5.185 ( -0.693 -5.974 -3.824) 7.127 5.414 ( -3.820 -3.786 -1.759) 5.658 5.502 ( -2.061 -1.820 -1.853) 3.316 5.612 ( -1.506 -1.078 2.061) 2.770 5.724 ( 2.663 2.181 -4.805) 5.911 6.711 ( 3.541 -2.130 6.491) 7.695 6.902 ( -5.744 3.760 3.796) 7.845 7.108 ( -2.030 1.460 1.703) 3.026 7.333 ( 4.980 4.582 -0.065) 6.767 7.442 ( -4.081 3.927 2.400) 6.151 7.669 ( -4.253 -8.160 -6.544) 11.291 8.167 ( 2.900 -12.001 -1.815) 12.479 8.344 ( -2.287 -11.887 -3.404) 12.574 8.600 ( 2.561 -5.780 4.898) 7.997 8.906 ( 1.754 -2.044 1.639) 3.152 8.974 ( -1.332 8.384 -2.414) 8.826 9.299 ( 0.577 -7.298 -2.254) 7.660 9.463 ( 4.256 12.277 10.290) 16.575 9.946 ( -2.213 1.864 3.111) 4.248 10.202 ( 0.146 6.725 0.056) 6.727 10.320 ( 1.826 4.583 1.014) 5.036 10.646 ( 1.170 6.166 -3.019) 6.964 10.809 ( 0.938 2.854 -6.475) 7.138 11.208 ( 3.704 0.067 5.594) 6.710 11.470 ( 7.696 -0.343 8.561) 11.517 11.544 ( -7.598 -2.671 -0.936) 8.108 11.834 ( -5.363 -8.940 -4.414) 11.321 12.054 ( 2.762 1.838 -0.915) 3.442 12.347 ( -5.037 3.087 -3.583) 6.910 12.809 ( 6.793 9.288 0.356) 11.513 13.138 ( -5.714 5.827 -5.092) 9.619 13.473 ( 0.994 -0.501 3.099) 3.293 13.619 ( -1.865 -3.710 -3.352) 5.336 14.993 ( 6.774 -1.667 0.442) 6.990 15.414 ( -7.554 12.282 -1.180) 14.467 15.560 ( -4.973 -2.001 7.463) 9.188 15.746 ( -0.467 -3.256 7.549) 8.234 16.047 ( 6.565 0.695 7.341) 9.873 16.098 ( 5.593 12.338 3.553) 14.005 16.623 ( -3.282 2.128 2.141) 4.460 16.735 ( -0.831 8.013 -3.862) 8.934 17.311 ( 9.748 -4.610 -4.679) 11.754 17.689 ( -6.187 0.093 -6.337) 8.856 18.766 ( 12.629 -12.003 -3.213) 17.717 18.967 ( -12.236 -5.880 0.873) 13.604 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -5.114 -2.561 -0.205) 5.723 1.690 ( 7.560 0.871 1.422) 7.742 2.229 ( -7.441 2.805 -0.455) 7.965 2.361 ( 14.475 2.983 -0.503) 14.788 2.453 ( -7.668 7.166 -7.179) 12.715 2.592 ( 5.734 0.027 6.853) 8.936 2.632 ( 0.220 6.305 4.434) 7.711 2.849 ( 4.191 6.736 1.396) 8.055 3.061 ( -1.392 -1.877 0.300) 2.357 3.122 ( 4.060 -1.389 -0.171) 4.294 3.728 ( -9.480 -6.582 1.075) 11.590 3.793 ( 11.180 -5.058 9.694) 15.638 4.480 ( -0.197 -0.449 -12.454) 12.464 4.556 ( 0.007 0.202 -16.187) 16.188 5.003 ( -11.958 -3.719 -1.152) 12.576 5.104 ( -1.776 -6.547 -1.368) 6.920 5.381 ( -0.177 -2.759 1.466) 3.130 5.472 ( 0.819 -0.016 -2.760) 2.879 5.634 ( 1.676 -2.405 -0.407) 2.960 5.753 ( 6.757 1.545 -3.514) 7.771 6.814 ( -3.957 -2.110 4.121) 6.090 6.888 ( 4.855 0.695 3.806) 6.208 7.140 ( 1.114 -1.740 4.665) 5.102 7.364 ( 3.234 1.345 -7.675) 8.436 7.396 ( -5.272 3.188 2.720) 6.735 7.612 ( 5.358 -0.347 -2.485) 5.917 8.174 ( -3.049 -14.005 0.331) 14.337 8.296 ( 3.568 -7.661 -4.087) 9.388 8.691 ( -0.115 -3.376 6.124) 6.994 8.869 ( 0.132 1.815 -6.497) 6.748 9.025 ( 1.493 -3.074 6.798) 7.608 9.245 ( -1.035 -10.512 -6.124) 12.209 9.677 ( 4.668 13.448 11.385) 18.228 9.879 ( -5.548 7.298 -4.244) 10.102 10.168 ( -4.602 9.198 2.484) 10.580 10.352 ( 1.905 5.305 -0.809) 5.695 10.616 ( -2.071 3.035 -0.328) 3.689 10.781 ( 2.239 2.306 -4.688) 5.684 11.315 ( -2.073 -3.143 4.729) 6.044 11.378 ( -6.366 -0.350 0.869) 6.435 11.669 ( 0.806 -5.582 2.188) 6.050 11.747 ( 5.537 -4.636 -0.059) 7.222 12.134 ( 3.899 3.004 1.894) 5.274 12.217 ( -2.124 3.876 -6.361) 7.746 12.924 ( -3.331 8.387 -1.378) 9.129 12.964 ( 0.606 8.855 -1.068) 8.940 13.521 ( 0.360 -2.442 1.790) 3.049 13.568 ( 0.659 -5.438 -2.405) 5.982 15.143 ( -3.747 2.844 -0.504) 4.731 15.169 ( -1.312 5.055 0.591) 5.255 15.603 ( -6.336 3.884 10.091) 12.532 15.807 ( -0.145 -3.315 3.957) 5.164 16.117 ( -1.496 4.572 0.801) 4.877 16.288 ( 8.017 10.870 2.730) 13.779 16.598 ( -3.040 -0.821 4.136) 5.199 16.716 ( 2.549 5.171 -3.442) 6.715 17.393 ( -1.170 -5.063 -2.915) 5.958 17.518 ( 3.843 -0.174 -7.117) 8.090 18.697 ( -17.067 -7.278 -0.760) 18.570 19.006 ( 14.388 -9.081 -0.548) 17.023 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.406 -0.896 -1.346) 2.898 1.740 ( -7.317 6.646 -3.288) 10.417 1.981 ( -10.284 6.408 -4.705) 12.999 2.376 ( 9.861 6.651 -6.811) 13.706 2.518 ( 6.255 1.639 -4.510) 7.884 2.675 ( -4.725 4.517 5.297) 8.414 2.769 ( 3.812 -0.850 5.458) 6.712 2.977 ( 9.889 4.997 0.845) 11.112 2.991 ( -1.663 -1.116 -3.092) 3.684 3.196 ( 3.208 -2.159 -0.723) 3.933 3.575 ( -6.021 -5.408 -2.630) 8.510 4.055 ( 9.689 -7.496 4.444) 13.032 4.422 ( 2.104 -0.454 -5.644) 6.040 4.462 ( 3.334 -0.540 -0.349) 3.395 4.829 ( -8.608 -0.932 4.260) 9.649 5.027 ( -7.466 -7.615 1.589) 10.782 5.408 ( -1.923 3.714 3.192) 5.261 5.490 ( 4.613 0.988 -0.274) 4.726 5.639 ( 1.457 -4.319 -1.950) 4.957 5.865 ( 11.289 1.127 -3.839) 11.977 6.774 ( -2.442 -6.191 0.181) 6.657 7.042 ( 7.336 4.180 2.685) 8.860 7.181 ( 1.030 -1.605 -2.947) 3.510 7.326 ( -5.254 -1.773 5.465) 7.786 7.409 ( 8.220 -4.173 -1.897) 9.412 7.727 ( 9.026 5.848 -0.678) 10.776 8.087 ( -5.115 -10.485 -1.484) 11.760 8.358 ( 5.049 -8.460 0.712) 9.878 8.708 ( -3.993 -0.507 2.804) 4.906 8.809 ( -0.102 -3.704 -4.862) 6.113 9.072 ( -4.406 -11.987 -2.092) 12.941 9.181 ( 1.458 -2.360 0.665) 2.852 9.686 ( -6.663 10.182 -8.750) 14.988 9.836 ( 0.346 9.235 8.192) 12.350 10.126 ( -5.172 11.031 3.525) 12.683 10.357 ( 1.617 5.425 -3.314) 6.560 10.586 ( -3.056 0.251 3.055) 4.328 10.758 ( 1.235 3.772 -4.438) 5.953 11.196 ( -6.672 1.200 -0.167) 6.781 11.389 ( -7.582 -2.031 6.147) 9.970 11.632 ( 2.292 -5.464 -2.633) 6.484 11.946 ( 10.413 -5.530 0.682) 11.810 12.068 ( -1.384 3.023 -4.582) 5.661 12.291 ( 5.148 2.173 4.416) 7.122 12.739 ( -6.807 13.377 -4.119) 15.564 13.083 ( 3.805 4.796 4.309) 7.487 13.508 ( -0.288 -5.750 -1.357) 5.915 13.604 ( 2.758 -1.772 1.027) 3.436 14.898 ( -12.057 1.535 -1.471) 12.243 15.360 ( 5.713 6.674 7.014) 11.241 15.549 ( -10.916 4.629 5.703) 13.158 15.824 ( -1.438 -4.954 0.700) 5.205 16.049 ( -2.296 1.785 -4.258) 5.156 16.364 ( 1.573 6.920 -3.741) 8.022 16.594 ( -1.963 -2.382 1.403) 3.390 16.759 ( 5.636 9.148 0.050) 10.745 17.255 ( -3.321 1.276 -5.214) 6.312 17.668 ( 11.001 -3.864 2.300) 11.885 18.360 ( -21.703 -7.359 -0.661) 22.926 19.237 ( 13.209 -7.641 -0.141) 15.260 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -19.445 7.080 0.948) 20.715 1.474 ( -15.651 9.706 0.528) 18.424 1.943 ( 12.070 6.446 -10.039) 16.971 2.313 ( -8.043 5.991 -7.100) 12.288 2.463 ( -8.829 10.313 -5.455) 14.631 2.726 ( 5.504 -3.991 5.136) 8.521 2.837 ( 2.635 0.100 -1.976) 3.295 2.986 ( 3.396 -3.830 -0.773) 5.177 3.184 ( 8.681 1.809 1.875) 9.063 3.218 ( 6.453 1.711 -1.903) 6.942 3.524 ( 3.058 -5.529 -2.460) 6.780 4.192 ( 6.760 -8.490 -3.444) 11.386 4.463 ( 0.698 -3.281 6.333) 7.167 4.548 ( 1.995 -0.992 6.509) 6.880 4.838 ( -0.215 0.633 7.601) 7.631 4.921 ( -7.575 -5.741 3.286) 10.056 5.341 ( -8.994 9.507 1.731) 13.201 5.587 ( 3.312 -0.962 0.190) 3.454 5.700 ( 8.166 -2.791 2.328) 8.938 6.038 ( 15.474 -1.508 -5.187) 16.390 6.738 ( 0.301 -7.946 -3.063) 8.522 7.117 ( 2.527 5.384 -5.525) 8.118 7.230 ( 7.017 1.617 1.794) 7.421 7.306 ( -0.602 -3.635 0.913) 3.796 7.552 ( 6.155 -6.992 2.047) 9.538 7.878 ( 6.550 3.815 2.498) 7.980 8.006 ( -1.510 -7.174 -0.431) 7.344 8.468 ( 5.089 -10.015 3.023) 11.634 8.619 ( -3.653 -2.991 -8.752) 9.944 8.721 ( -9.832 -7.055 2.596) 12.377 8.919 ( -6.852 -3.893 -2.567) 8.288 9.188 ( -4.253 2.967 1.312) 5.349 9.556 ( 0.384 5.160 -3.130) 6.047 9.873 ( -2.403 4.295 2.569) 5.552 10.061 ( -4.850 10.314 1.202) 11.460 10.338 ( 0.981 3.027 -4.417) 5.444 10.572 ( -2.358 0.620 1.671) 2.955 10.738 ( 0.601 6.186 -1.385) 6.367 11.120 ( -3.160 4.113 -0.087) 5.187 11.257 ( -10.106 -0.388 -0.240) 10.116 11.652 ( 0.571 -0.542 0.181) 0.808 12.020 ( 3.365 -1.338 0.440) 3.648 12.128 ( 6.655 -9.245 -1.421) 11.480 12.427 ( 3.996 2.475 6.992) 8.425 12.649 ( 0.616 13.470 -2.807) 13.773 13.161 ( 0.236 3.890 2.934) 4.878 13.503 ( 1.740 -4.893 -1.428) 5.386 13.661 ( 1.840 -0.017 1.859) 2.615 14.731 ( -9.628 -2.197 4.048) 10.672 15.349 ( -16.830 1.774 2.687) 17.135 15.447 ( -1.880 11.816 -1.899) 12.115 15.777 ( -2.054 -7.012 -0.998) 7.375 16.033 ( 6.160 0.028 -2.546) 6.666 16.326 ( 0.020 -0.213 -2.877) 2.885 16.557 ( -1.480 -1.784 -2.593) 3.478 16.872 ( 5.501 13.568 1.423) 14.709 17.184 ( 1.658 4.663 -6.038) 7.807 17.801 ( -2.356 -1.160 -8.638) 9.028 18.058 ( -13.571 -8.864 16.414) 23.069 19.428 ( 10.751 -6.348 -1.826) 12.618 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -16.747 9.035 13.309) 23.221 1.283 ( -16.312 10.427 13.235) 23.451 1.980 ( 2.148 7.691 -10.792) 13.425 2.093 ( -10.962 18.084 2.325) 21.274 2.282 ( -0.183 2.907 -6.952) 7.538 2.794 ( 0.401 -2.912 -8.648) 9.134 2.842 ( 2.921 -1.823 3.056) 4.604 3.068 ( 6.261 -3.091 0.305) 6.989 3.249 ( 5.974 3.808 -3.276) 7.805 3.436 ( 10.005 -0.827 4.455) 10.983 3.572 ( 4.890 -6.008 -2.882) 8.265 4.235 ( 4.459 -8.356 -5.099) 10.757 4.546 ( -0.707 -3.928 8.170) 9.093 4.655 ( 0.526 -1.958 6.746) 7.044 4.843 ( -3.062 -1.933 2.201) 4.237 4.956 ( -0.332 1.688 10.436) 10.577 5.183 ( -11.494 10.280 2.216) 15.579 5.593 ( -0.831 -3.161 -1.069) 3.439 5.924 ( 11.788 -1.071 4.148) 12.542 6.240 ( 16.137 -4.103 -7.538) 18.277 6.729 ( 3.405 -6.626 -3.344) 8.166 7.093 ( 4.527 6.757 -7.960) 11.380 7.240 ( -2.686 -5.968 -1.458) 6.705 7.444 ( 10.534 1.660 1.510) 10.771 7.626 ( 3.526 -4.890 -2.965) 6.718 7.894 ( -6.395 -3.020 3.976) 8.113 8.108 ( 7.590 -3.539 1.952) 8.600 8.376 ( -7.940 -3.473 -9.466) 12.834 8.473 ( -16.176 -4.419 -5.537) 17.659 8.606 ( 3.660 -8.748 2.777) 9.881 8.895 ( -1.497 -0.745 10.482) 10.614 9.154 ( -4.201 4.714 8.506) 10.594 9.547 ( -0.387 3.054 -0.787) 3.177 9.838 ( -0.306 5.309 -3.410) 6.317 10.056 ( 1.316 3.330 3.577) 5.061 10.271 ( -1.087 -1.070 -7.599) 7.751 10.553 ( -0.761 4.219 0.975) 4.396 10.728 ( -0.883 6.288 -1.788) 6.596 11.026 ( -7.593 1.282 -2.043) 7.967 11.113 ( -4.598 6.457 -1.705) 8.108 11.694 ( 3.461 -0.055 1.659) 3.838 12.075 ( -2.174 -2.952 6.631) 7.577 12.231 ( 7.229 -10.497 0.362) 12.750 12.574 ( 4.122 0.204 4.993) 6.478 12.658 ( 3.899 10.420 -3.219) 11.582 13.150 ( -2.429 6.437 -1.350) 7.011 13.540 ( 4.741 -2.994 -1.482) 5.800 13.699 ( -0.708 -0.395 2.812) 2.926 14.647 ( -11.486 -4.696 9.509) 15.633 15.086 ( -13.245 2.300 0.452) 13.450 15.337 ( -1.857 7.570 -8.736) 11.707 15.770 ( 1.194 -5.396 0.764) 5.579 16.149 ( 7.050 -1.200 0.613) 7.178 16.297 ( 0.763 -2.601 -4.615) 5.352 16.498 ( -1.230 -0.832 -3.321) 3.638 16.943 ( 0.983 10.780 0.628) 10.843 17.148 ( 3.205 7.978 -8.939) 12.402 17.448 ( -18.812 -0.109 -6.582) 19.931 18.248 ( 2.328 -4.812 20.409) 21.098 19.544 ( 7.389 -5.386 -4.738) 10.298 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -16.203 4.923 17.981) 24.700 1.286 ( -8.016 8.352 24.379) 26.988 1.863 ( -4.849 16.193 1.511) 16.971 2.025 ( 0.840 17.907 0.672) 17.939 2.328 ( 10.336 -2.456 -3.172) 11.087 2.681 ( 1.610 3.182 -11.168) 11.723 2.930 ( 1.717 -2.894 4.410) 5.548 3.171 ( 4.896 -2.936 0.451) 5.726 3.289 ( 2.266 1.660 -2.923) 4.054 3.568 ( 1.519 -3.961 -5.468) 6.921 3.626 ( 4.728 -4.341 4.407) 7.786 4.216 ( 1.319 -7.124 -7.197) 10.213 4.615 ( -0.014 -0.503 4.699) 4.726 4.690 ( -2.327 1.480 2.265) 3.569 4.870 ( -0.148 -3.109 6.509) 7.215 5.021 ( -7.689 5.778 5.069) 10.872 5.101 ( -1.107 4.328 11.017) 11.888 5.556 ( -1.573 -3.269 -1.311) 3.857 6.120 ( 6.291 -2.478 1.551) 6.937 6.365 ( 10.856 -4.885 -10.711) 16.014 6.776 ( 4.426 -6.529 -1.187) 7.976 7.089 ( 4.439 3.070 -8.893) 10.403 7.196 ( 2.410 -3.737 -1.292) 4.630 7.533 ( -0.634 -0.693 -6.005) 6.078 7.660 ( 5.156 -2.478 -1.874) 6.019 7.827 ( -4.268 0.312 4.230) 6.017 8.015 ( -12.524 1.853 -9.169) 15.632 8.189 ( -6.601 -5.176 -5.999) 10.312 8.341 ( 3.924 -3.333 6.292) 8.130 8.650 ( -1.458 -8.378 1.537) 8.641 9.048 ( 2.963 -1.760 12.483) 12.950 9.254 ( -0.703 -0.211 14.837) 14.855 9.549 ( -0.437 5.559 3.095) 6.378 9.839 ( 5.761 4.844 -2.954) 8.086 10.108 ( -0.753 0.266 1.078) 1.342 10.140 ( -1.937 -2.480 -9.470) 9.979 10.582 ( -0.876 3.166 1.225) 3.506 10.655 ( 0.244 6.194 -3.521) 7.129 10.903 ( -5.791 3.070 1.454) 6.714 11.019 ( -3.262 7.831 -4.439) 9.575 11.760 ( 2.545 -1.348 0.149) 2.884 12.144 ( 0.382 -4.777 8.797) 10.017 12.328 ( 2.412 -8.888 -0.093) 9.210 12.619 ( -1.755 0.597 1.982) 2.714 12.730 ( 6.041 5.493 -0.964) 8.222 13.070 ( -1.648 8.477 -5.712) 10.354 13.624 ( 6.638 -1.063 -1.078) 6.808 13.693 ( -3.088 -0.805 2.086) 3.812 14.507 ( -18.798 -2.211 11.541) 22.168 15.003 ( 0.880 -2.268 1.261) 2.740 15.241 ( 2.461 4.668 -7.203) 8.929 15.833 ( 4.477 -3.711 1.912) 6.121 16.221 ( 4.049 -5.841 -14.759) 16.381 16.231 ( -1.210 1.307 1.041) 2.063 16.447 ( -3.313 -1.966 1.361) 4.086 16.876 ( -6.724 -2.330 -4.961) 8.675 17.060 ( -2.102 12.728 -3.233) 13.299 17.214 ( -2.415 10.859 -3.492) 11.659 18.526 ( 2.468 -2.993 20.909) 21.266 19.562 ( 3.449 -4.705 -8.183) 10.050 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -1.955 20.940 6.782) 22.097 1.687 ( 6.638 8.643 8.729) 13.963 1.996 ( 3.000 12.181 -9.824) 15.934 2.344 ( 2.100 2.924 -3.943) 5.339 2.615 ( 1.579 8.132 8.894) 12.154 2.829 ( 1.803 8.390 1.979) 8.807 2.870 ( -0.394 -4.983 2.140) 5.437 3.115 ( 1.384 -9.731 -10.680) 14.514 3.255 ( -0.829 2.092 4.018) 4.605 3.369 ( -3.028 -3.310 -4.492) 6.349 3.633 ( 1.526 -7.232 7.954) 10.858 3.966 ( -1.827 -8.830 -5.509) 10.567 4.741 ( -4.070 7.477 1.433) 8.633 4.774 ( 5.184 4.353 2.923) 7.373 4.869 ( -0.407 -2.271 8.081) 8.404 5.049 ( -4.842 5.927 0.655) 7.681 5.355 ( 2.468 6.663 9.196) 11.621 5.478 ( -2.296 -1.066 2.848) 3.811 6.065 ( -1.721 -4.407 -3.326) 5.783 6.207 ( 3.231 -10.051 -8.421) 13.504 6.685 ( -1.054 -5.998 1.597) 6.296 6.867 ( -1.139 -7.997 -5.552) 9.802 7.295 ( -5.372 -5.248 -4.125) 8.569 7.312 ( 6.730 -2.194 -4.533) 8.405 7.742 ( -1.076 3.037 -0.385) 3.245 7.785 ( -1.572 0.177 -0.626) 1.702 7.932 ( -0.388 3.574 -1.932) 4.082 8.012 ( 3.250 -2.370 -3.515) 5.341 8.325 ( 0.728 -8.808 4.652) 9.988 8.430 ( 0.641 -9.805 -0.754) 9.855 9.196 ( 1.293 -2.456 12.297) 12.607 9.316 ( 0.043 -4.437 12.657) 13.413 9.701 ( 0.650 4.754 -1.488) 5.024 9.791 ( 1.005 -3.481 -11.904) 12.443 10.077 ( -1.389 2.822 -0.157) 3.150 10.192 ( 1.714 3.276 -2.803) 4.639 10.608 ( -0.301 7.114 3.812) 8.076 10.832 ( 0.198 3.484 0.853) 3.592 10.965 ( 1.035 6.174 0.188) 6.263 11.063 ( -3.622 6.474 -5.274) 9.102 11.801 ( -0.769 1.479 2.939) 3.379 12.029 ( 1.500 -5.403 -5.656) 7.965 12.297 ( 4.410 -5.324 8.854) 11.233 12.497 ( -6.603 -7.693 1.660) 10.273 12.954 ( 3.101 9.748 -0.068) 10.230 13.153 ( -3.026 8.785 -6.948) 11.602 13.652 ( -2.942 2.534 2.437) 4.584 13.751 ( 6.749 0.009 -1.989) 7.036 14.396 ( -10.740 4.106 13.954) 18.081 14.956 ( 3.907 -2.936 -7.013) 8.548 15.348 ( 3.091 3.036 3.693) 5.692 15.778 ( -1.431 -8.429 -2.232) 8.836 16.017 ( 2.170 -4.421 -6.558) 8.201 16.136 ( -2.787 -3.413 -2.894) 5.272 16.368 ( -3.500 -0.700 1.592) 3.908 16.663 ( 3.928 -4.449 -7.608) 9.649 17.338 ( 1.893 13.040 3.437) 13.618 17.512 ( -0.996 17.649 -5.150) 18.412 18.735 ( 1.222 -1.763 18.244) 18.370 19.346 ( -0.819 -7.777 -10.091) 12.766 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 6.542 19.594 6.228) 21.576 1.822 ( 11.406 3.696 -14.782) 19.033 1.992 ( -1.983 12.939 8.400) 15.553 2.325 ( 5.245 4.325 -8.213) 10.662 2.592 ( -13.310 4.690 -1.039) 14.150 2.819 ( -4.854 -5.309 2.972) 7.783 2.941 ( 5.669 0.386 0.820) 5.741 3.020 ( -0.271 -9.591 -4.964) 10.803 3.222 ( -5.229 1.176 0.265) 5.366 3.347 ( 0.592 3.029 3.080) 4.361 3.743 ( -0.738 -6.391 8.501) 10.661 3.842 ( -3.937 -7.891 -6.853) 11.168 4.634 ( -7.134 7.151 0.348) 10.107 4.794 ( -3.101 6.764 -0.664) 7.470 4.990 ( 4.217 -0.559 7.032) 8.219 5.086 ( 3.730 2.756 3.120) 5.590 5.470 ( -1.253 2.677 4.702) 5.554 5.495 ( 2.734 2.254 3.059) 4.681 5.946 ( -7.077 -4.000 -2.968) 8.654 6.149 ( 0.034 -8.819 -5.837) 10.576 6.668 ( -2.840 -7.010 1.694) 7.751 6.842 ( 2.554 -2.882 -1.638) 4.185 7.093 ( -8.853 -4.015 -3.400) 10.298 7.408 ( 4.534 -7.787 -1.811) 9.191 7.622 ( -6.371 4.453 -0.047) 7.773 7.826 ( 1.710 -3.542 1.323) 4.149 7.962 ( 4.568 -2.029 -2.587) 5.628 8.058 ( 3.823 2.423 -1.110) 4.660 8.322 ( -0.894 -8.645 1.129) 8.764 8.509 ( 7.179 -6.675 -0.850) 9.840 9.338 ( -0.497 -5.063 10.729) 11.874 9.411 ( -4.066 -3.216 4.885) 7.123 9.668 ( 2.243 1.505 -5.726) 6.331 9.697 ( 2.983 0.812 -8.307) 8.864 10.057 ( -1.928 4.772 1.144) 5.272 10.182 ( 2.084 1.574 -2.142) 3.377 10.700 ( 0.427 6.007 4.956) 7.800 10.808 ( 0.536 4.750 -3.638) 6.007 10.954 ( -0.739 7.135 -0.257) 7.178 11.058 ( 5.619 4.588 1.531) 7.414 11.823 ( -1.945 -3.226 4.563) 5.917 11.939 ( -2.578 0.409 -7.253) 7.709 12.351 ( -8.611 -9.369 -1.062) 12.769 12.494 ( 3.826 -4.706 8.245) 10.235 13.012 ( 1.858 11.248 0.001) 11.401 13.060 ( 1.686 8.204 -3.363) 9.025 13.604 ( -4.716 3.415 0.236) 5.827 13.789 ( 0.577 -1.931 -1.463) 2.490 14.478 ( 0.609 6.680 14.616) 16.082 14.965 ( 8.008 -3.931 -8.613) 12.400 15.440 ( -1.762 1.212 5.972) 6.344 15.638 ( -1.945 -2.822 -9.388) 9.995 15.966 ( -3.033 -4.410 -2.276) 5.816 16.148 ( 3.924 -3.191 0.478) 5.081 16.438 ( 7.265 -4.130 5.925) 10.244 16.706 ( 10.952 -5.161 -7.967) 14.494 17.378 ( -2.754 15.202 -0.130) 15.450 17.428 ( -1.228 17.258 -1.317) 17.352 18.921 ( -2.382 -4.167 16.042) 16.745 19.170 ( -4.615 -7.343 -12.453) 15.175 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 7.106 15.301 2.550) 17.062 1.819 ( 10.283 4.925 -13.282) 17.504 2.013 ( -0.051 4.023 -2.775) 4.888 2.187 ( -15.900 3.299 -7.458) 17.869 2.449 ( 2.210 10.651 3.704) 11.491 2.766 ( -6.421 -8.976 4.731) 12.007 2.913 ( -0.891 -7.171 -4.746) 8.645 3.063 ( 1.606 7.890 -1.071) 8.123 3.140 ( -5.105 -3.405 2.728) 6.716 3.359 ( -3.367 2.017 1.536) 4.215 3.644 ( -6.970 -6.841 -7.784) 12.489 3.823 ( -2.979 -6.132 6.543) 9.449 4.574 ( -0.875 2.840 1.801) 3.475 4.745 ( -0.826 2.586 0.036) 2.715 5.059 ( 0.614 -0.706 -4.455) 4.552 5.223 ( 5.266 3.258 8.118) 10.210 5.447 ( -1.506 -0.156 -3.174) 3.516 5.581 ( 3.670 1.837 -0.092) 4.105 5.802 ( -9.195 -3.206 2.893) 10.159 6.078 ( -2.101 -5.725 -4.456) 7.553 6.633 ( -2.930 -3.679 0.578) 4.738 6.871 ( -2.144 4.592 4.645) 6.874 7.011 ( 3.176 -8.237 -0.395) 8.837 7.380 ( -4.148 -4.969 -1.274) 6.597 7.576 ( -1.378 -0.940 0.329) 1.701 7.849 ( -1.273 -7.488 2.156) 7.896 7.981 ( 0.105 -2.726 -2.469) 3.679 8.064 ( -1.060 -6.008 0.116) 6.102 8.434 ( 11.635 1.133 2.281) 11.911 8.581 ( 4.188 -4.475 -5.018) 7.921 9.307 ( -4.136 -1.352 -6.420) 7.756 9.406 ( -1.969 -4.370 6.159) 7.805 9.653 ( 0.835 1.814 -4.088) 4.550 9.695 ( 1.055 1.816 -0.614) 2.189 10.060 ( 1.422 4.504 1.419) 4.932 10.199 ( 1.127 1.651 -0.811) 2.157 10.726 ( 2.445 6.470 0.550) 6.939 10.789 ( 2.424 5.673 -2.059) 6.503 11.035 ( 4.935 5.295 4.164) 8.350 11.176 ( 5.221 3.941 1.080) 6.630 11.781 ( -7.168 2.533 -2.337) 7.953 11.847 ( -1.911 -6.598 1.860) 7.117 12.194 ( -6.944 -8.967 -1.995) 11.515 12.597 ( -0.258 -3.414 3.501) 4.897 12.980 ( 0.803 10.936 -4.438) 11.829 13.170 ( 6.141 10.314 4.759) 12.913 13.508 ( -5.544 2.237 -1.230) 6.103 13.766 ( -1.678 -3.495 -0.075) 3.878 14.690 ( 6.365 5.358 9.122) 12.346 15.034 ( 9.044 -3.165 -3.644) 10.251 15.386 ( -4.578 0.080 0.545) 4.611 15.607 ( 2.771 3.876 -1.106) 4.892 15.921 ( -0.608 -3.694 0.188) 3.748 16.189 ( 0.548 -1.741 0.522) 1.898 16.701 ( 12.557 -1.428 5.894) 13.944 16.824 ( 13.530 -5.924 -7.946) 16.772 17.266 ( -4.313 10.931 -3.423) 12.239 17.441 ( -0.904 16.686 3.637) 17.102 18.897 ( -7.711 -8.071 -12.421) 16.700 19.037 ( -5.203 -6.619 10.872) 13.751 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.188 8.695 -1.792) 9.143 1.841 ( -3.916 8.767 -3.224) 10.129 1.925 ( 3.626 2.912 -7.830) 9.107 1.986 ( -0.079 2.769 -1.759) 3.281 2.520 ( -1.108 3.768 4.557) 6.016 2.725 ( -4.883 -6.392 4.263) 9.103 2.878 ( -0.553 -2.166 0.081) 2.237 2.992 ( -2.275 9.854 -3.085) 10.573 3.128 ( -3.497 -2.975 4.362) 6.333 3.291 ( -5.198 2.146 0.718) 5.669 3.422 ( -8.766 -4.644 -7.910) 12.688 3.813 ( -5.383 -7.477 4.670) 10.329 4.625 ( 5.070 -1.646 -0.569) 5.361 4.793 ( 5.493 -2.657 1.181) 6.216 4.966 ( -0.699 -1.379 -9.362) 9.489 5.324 ( -1.138 2.676 -5.514) 6.234 5.405 ( 2.894 -2.559 0.694) 3.925 5.577 ( -1.788 -3.998 -3.674) 5.716 5.715 ( -8.125 -0.679 6.497) 10.425 5.961 ( -4.925 -3.162 -5.847) 8.273 6.597 ( -1.394 -0.389 0.400) 1.502 6.929 ( 1.285 4.897 7.644) 9.169 7.110 ( 5.616 -4.525 1.488) 7.364 7.302 ( -4.683 -1.784 1.042) 5.119 7.533 ( -2.363 -2.499 -1.897) 3.928 7.816 ( -5.717 -5.784 1.631) 8.294 7.946 ( -1.603 -5.462 1.194) 5.816 8.061 ( 1.342 -11.627 -1.604) 11.813 8.526 ( -0.690 -2.800 -8.444) 8.922 8.684 ( 12.006 1.928 3.518) 12.658 9.193 ( -0.206 1.492 -5.961) 6.149 9.443 ( -2.353 2.044 6.637) 7.332 9.535 ( -2.957 4.191 -11.077) 12.207 9.743 ( 1.220 -1.409 5.867) 6.155 10.120 ( 1.709 -1.326 2.426) 3.250 10.237 ( 5.178 5.382 0.713) 7.502 10.789 ( 3.761 9.319 0.478) 10.061 10.886 ( 8.129 4.349 1.647) 9.366 11.156 ( 4.576 3.405 1.326) 5.856 11.211 ( 0.116 4.102 -2.164) 4.639 11.652 ( -6.210 1.214 1.424) 6.485 11.828 ( -3.554 -10.292 1.387) 10.977 12.087 ( -3.460 -3.867 -1.278) 5.344 12.577 ( -3.923 -1.634 0.307) 4.260 12.956 ( 1.733 11.864 -3.479) 12.485 13.301 ( 3.481 7.723 1.347) 8.578 13.420 ( -2.845 -0.249 -0.037) 2.856 13.736 ( -2.031 -2.861 -0.280) 3.520 14.825 ( 5.042 0.852 -1.655) 5.374 15.214 ( 9.736 1.487 7.842) 12.590 15.380 ( -1.745 -0.775 6.852) 7.113 15.681 ( 7.375 8.456 0.573) 11.235 15.927 ( -1.587 -3.905 2.320) 4.812 16.195 ( 1.053 4.100 -1.229) 4.408 16.832 ( 2.181 10.429 -5.152) 11.835 16.974 ( 10.808 -5.949 -3.139) 12.730 17.206 ( -1.592 6.377 -1.126) 6.669 17.529 ( 6.347 6.485 7.292) 11.641 18.601 ( -7.579 -10.951 -15.599) 20.511 19.040 ( -8.343 -8.819 8.692) 14.931 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.376 3.362 -7.766) 8.471 1.819 ( 0.003 9.075 16.251) 18.613 1.916 ( -7.279 0.595 -1.024) 7.374 2.014 ( 14.330 6.334 -6.888) 17.114 2.517 ( -3.653 -4.294 2.492) 6.164 2.733 ( 1.270 0.149 3.643) 3.861 2.848 ( -2.706 -0.531 0.469) 2.797 2.933 ( -5.122 7.126 1.386) 8.885 3.146 ( -6.496 -0.292 -1.483) 6.670 3.219 ( -2.755 -4.684 1.672) 5.685 3.237 ( 0.487 6.984 1.657) 7.194 3.760 ( -6.270 -8.522 3.228) 11.061 4.693 ( 6.106 -4.045 -5.904) 9.407 4.843 ( 2.567 -1.335 -11.831) 12.179 4.940 ( 7.835 -5.885 0.152) 9.800 5.174 ( -2.374 -1.041 -12.808) 13.068 5.419 ( -1.673 -3.148 -1.759) 3.975 5.467 ( -7.202 -7.503 -1.491) 10.507 5.662 ( -5.826 0.293 4.426) 7.323 5.807 ( -4.849 -2.904 -5.457) 7.856 6.609 ( 1.664 0.596 1.494) 2.314 7.024 ( -1.778 4.387 5.672) 7.388 7.208 ( -0.593 1.989 1.098) 2.348 7.255 ( 4.724 -1.734 0.107) 5.034 7.477 ( -1.517 -2.694 -2.422) 3.927 7.719 ( -7.750 -0.604 1.854) 7.991 7.936 ( -1.075 -9.448 0.303) 9.514 8.081 ( 1.486 -12.861 1.097) 12.993 8.415 ( -1.149 -3.798 -6.374) 7.509 8.840 ( 4.828 -4.907 -1.972) 7.161 9.169 ( 1.349 7.347 -2.130) 7.767 9.358 ( -3.031 4.106 -8.649) 10.043 9.518 ( 2.647 8.254 8.228) 11.951 9.858 ( 2.714 -2.366 7.430) 8.256 10.183 ( 2.052 -1.289 4.430) 5.050 10.360 ( 5.479 5.390 2.689) 8.142 10.845 ( 3.144 10.816 -2.090) 11.456 10.988 ( 2.484 4.976 -7.218) 9.112 11.139 ( 0.792 3.253 2.242) 4.029 11.294 ( 5.011 0.900 4.485) 6.785 11.588 ( -5.265 -2.157 1.487) 5.881 11.744 ( -5.957 -11.517 -1.416) 13.044 12.060 ( 0.865 2.066 0.379) 2.272 12.499 ( -4.817 0.290 -0.491) 4.851 12.965 ( 2.765 11.188 -1.371) 11.606 13.302 ( -0.456 3.271 -1.881) 3.801 13.420 ( 0.939 -1.309 -0.632) 1.730 13.677 ( -3.758 -0.875 -2.084) 4.386 14.889 ( 6.145 2.215 -1.210) 6.644 15.441 ( -2.708 -0.468 11.320) 11.649 15.494 ( 8.478 -0.696 10.747) 13.706 15.848 ( 4.634 14.010 2.102) 14.905 15.890 ( -2.479 -3.525 2.646) 5.056 16.223 ( 5.631 9.676 -1.413) 11.284 16.768 ( -0.309 9.006 -5.419) 10.515 17.090 ( 3.406 -1.274 -2.439) 4.379 17.123 ( -0.903 7.967 -4.106) 9.008 17.749 ( 5.044 1.405 6.283) 8.179 18.349 ( 0.490 -18.239 -13.384) 22.628 18.953 ( -10.915 -10.632 4.292) 15.830 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.878 1.641 -3.490) 3.955 1.729 ( -9.040 -2.328 -3.580) 9.998 2.131 ( 9.236 7.182 17.433) 20.995 2.221 ( 14.030 7.133 0.175) 15.740 2.498 ( -0.200 -3.170 0.915) 3.305 2.709 ( -7.706 -1.234 -1.030) 7.872 2.866 ( -0.134 4.924 5.085) 7.080 2.919 ( 0.986 2.875 4.097) 5.101 2.971 ( -4.704 4.709 -3.675) 7.603 3.164 ( -1.581 1.699 -2.031) 3.084 3.436 ( 7.517 -0.888 10.516) 12.957 3.678 ( -7.297 -8.274 2.364) 11.283 4.646 ( 1.272 -2.210 -14.489) 14.712 4.724 ( 1.371 -0.399 -16.004) 16.068 5.007 ( 0.414 -3.878 -6.402) 7.496 5.048 ( 1.453 -6.336 -3.373) 7.323 5.312 ( -7.473 -5.852 -0.046) 9.492 5.384 ( 1.668 -8.014 -3.331) 8.838 5.615 ( -4.342 -0.014 2.438) 4.980 5.707 ( -0.316 -3.974 -3.416) 5.250 6.687 ( 3.667 -0.145 4.083) 5.491 6.975 ( -7.333 2.801 1.025) 7.916 7.163 ( -1.584 3.332 0.293) 3.701 7.392 ( -0.397 -8.911 -3.672) 9.646 7.454 ( 10.028 6.098 -0.083) 11.737 7.604 ( -8.669 3.306 2.080) 9.508 7.924 ( -1.964 -10.480 1.928) 10.836 8.119 ( 3.945 -9.266 -2.909) 10.483 8.377 ( -0.323 -9.505 2.224) 9.767 8.833 ( 1.282 -8.911 -6.378) 11.033 9.157 ( 0.008 8.501 -1.695) 8.669 9.241 ( -1.982 2.736 -5.023) 6.053 9.721 ( 7.073 11.236 10.402) 16.867 9.973 ( 0.748 0.989 6.865) 6.976 10.287 ( 1.795 1.142 7.257) 7.563 10.438 ( 0.354 5.401 1.474) 5.609 10.828 ( 0.162 9.965 -5.879) 11.571 10.882 ( -0.684 3.805 -7.431) 8.376 11.227 ( 2.445 1.959 3.336) 4.577 11.445 ( 3.673 -2.765 3.742) 5.928 11.483 ( -3.353 -2.101 -0.716) 4.021 11.634 ( -5.295 -9.050 -0.814) 10.517 12.113 ( 3.126 4.122 2.646) 5.810 12.408 ( -4.441 2.153 -2.220) 5.412 13.021 ( 3.868 9.068 1.304) 9.944 13.271 ( -0.696 6.102 -3.128) 6.892 13.418 ( 1.277 -5.216 -1.673) 5.625 13.565 ( -5.463 -0.149 -3.351) 6.410 15.023 ( 8.387 4.586 3.463) 10.166 15.483 ( -4.372 -2.909 3.525) 6.325 15.703 ( -5.227 -0.717 10.427) 11.686 15.737 ( -4.060 14.075 4.069) 15.204 16.039 ( 3.803 -0.473 8.362) 9.198 16.385 ( 14.297 14.294 -0.941) 20.238 16.710 ( -2.254 6.070 -2.697) 7.014 16.955 ( -4.065 11.555 -7.012) 14.114 17.196 ( 5.969 -5.780 -1.547) 8.452 17.698 ( -7.468 1.392 -6.944) 10.292 18.420 ( 13.979 -20.169 -0.315) 24.542 18.779 ( -12.284 -11.795 -0.264) 17.032 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -2.474 -0.231 -1.848) 3.096 1.700 ( 12.324 -0.019 -2.828) 12.644 2.336 ( -4.427 5.481 5.219) 8.768 2.444 ( 7.734 5.030 2.952) 9.686 2.539 ( -5.412 2.529 -4.378) 7.406 2.559 ( 5.116 -2.320 3.376) 6.554 2.891 ( -0.541 13.921 3.788) 14.437 2.945 ( -0.182 0.102 3.582) 3.588 3.033 ( 5.371 -1.421 2.567) 6.119 3.118 ( 0.213 3.214 -4.042) 5.169 3.576 ( -8.126 -6.450 2.399) 10.648 3.678 ( 8.064 -4.850 8.370) 12.594 4.467 ( -0.105 -0.612 -13.535) 13.549 4.547 ( 0.207 -0.942 -15.612) 15.642 4.923 ( -8.311 -3.215 -1.362) 9.014 4.989 ( -1.281 -3.681 -1.628) 4.224 5.263 ( 0.067 -7.736 2.157) 8.032 5.412 ( 6.465 -7.010 -5.001) 10.768 5.585 ( -2.019 -1.736 2.026) 3.346 5.734 ( 7.087 -3.490 -2.558) 8.303 6.777 ( -3.756 -0.944 4.560) 5.983 6.885 ( 0.761 0.019 1.118) 1.353 7.178 ( 1.237 3.732 2.231) 4.521 7.304 ( -0.816 -5.761 -5.606) 8.080 7.474 ( -8.184 3.846 0.937) 9.091 7.652 ( 10.564 3.099 0.307) 11.014 7.907 ( -3.248 -10.131 2.801) 11.002 8.149 ( 6.631 -5.615 -7.093) 11.217 8.438 ( -1.067 -14.107 9.145) 16.846 8.758 ( 0.187 -11.371 -8.941) 14.466 9.112 ( -4.209 6.212 -0.840) 7.551 9.194 ( 2.006 4.206 -2.803) 5.438 9.925 ( 2.669 9.721 8.240) 13.020 10.014 ( -2.025 5.758 1.151) 6.211 10.358 ( -2.916 7.027 4.636) 8.909 10.445 ( -0.651 3.488 4.524) 5.749 10.733 ( -2.636 7.413 -6.325) 10.095 10.836 ( 3.070 2.492 -4.882) 6.282 11.251 ( -3.655 -2.293 1.920) 4.723 11.379 ( -1.548 0.779 0.529) 1.812 11.529 ( -3.925 -6.926 -0.990) 8.022 11.653 ( 8.494 -4.131 2.888) 9.878 12.211 ( 2.451 4.112 4.932) 6.873 12.299 ( -3.248 3.709 -4.692) 6.806 13.108 ( 2.844 7.327 2.656) 8.296 13.187 ( -2.863 9.932 -5.194) 11.568 13.429 ( -2.203 -5.381 -1.702) 6.059 13.469 ( 1.604 -2.312 -0.111) 2.816 15.215 ( 3.490 4.178 5.062) 7.434 15.326 ( -5.612 8.083 -5.548) 11.296 15.673 ( -9.569 2.040 14.337) 17.357 15.796 ( -2.611 3.601 6.204) 7.634 16.163 ( -1.002 0.073 5.645) 5.733 16.549 ( 5.433 6.543 -8.538) 12.051 16.620 ( -5.842 7.314 1.875) 9.547 16.891 ( 8.142 11.519 -6.076) 15.359 17.275 ( 1.758 -5.181 4.429) 7.039 17.512 ( 0.131 0.286 -10.022) 10.027 18.480 ( -14.825 -12.933 -1.297) 19.716 18.739 ( 14.705 -15.763 0.744) 21.570 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 4.093 3.458 -2.425) 5.881 1.889 ( 9.456 5.949 -3.491) 11.704 2.161 ( -11.348 10.752 -6.766) 17.034 2.444 ( 3.414 -0.794 1.176) 3.697 2.556 ( 0.877 2.919 -6.056) 6.780 2.707 ( 6.793 -3.090 5.200) 9.096 2.919 ( -5.235 -0.491 -1.763) 5.546 2.922 ( 0.053 9.802 1.839) 9.973 3.117 ( 3.290 5.256 -0.534) 6.224 3.150 ( 5.495 -1.425 1.626) 5.905 3.457 ( -7.233 -3.988 0.145) 8.261 3.875 ( 7.173 -8.494 2.894) 11.488 4.395 ( 1.481 -1.931 -4.491) 5.108 4.433 ( 1.911 -1.983 -4.094) 4.934 4.810 ( -4.311 -0.100 3.401) 5.491 4.928 ( -4.396 -2.048 0.034) 4.850 5.348 ( 4.218 -7.620 3.770) 9.491 5.480 ( 8.431 -3.431 -3.421) 9.724 5.588 ( -0.974 -0.801 2.127) 2.473 5.851 ( 10.303 -2.931 -3.511) 11.272 6.685 ( -5.792 -1.497 -0.231) 5.987 7.016 ( 5.517 -4.659 6.261) 9.558 7.195 ( 0.677 0.830 -1.649) 1.966 7.278 ( -3.719 -2.608 1.798) 4.885 7.392 ( 2.610 2.560 -1.351) 3.897 7.801 ( 6.538 -1.133 -0.101) 6.636 7.888 ( -0.774 -4.650 0.925) 4.804 8.186 ( 6.118 -6.751 -4.835) 10.314 8.510 ( -3.798 -13.306 8.909) 16.457 8.640 ( -1.041 -12.166 -10.146) 15.876 9.025 ( -4.898 5.624 -0.031) 7.458 9.219 ( 1.675 3.140 0.887) 3.668 9.869 ( -7.253 7.554 -6.229) 12.185 10.009 ( -2.936 6.606 2.477) 7.642 10.341 ( -4.142 7.822 2.310) 9.147 10.480 ( -0.917 5.250 0.772) 5.385 10.643 ( -2.142 5.552 0.242) 5.956 10.852 ( 3.499 4.544 -2.545) 6.274 11.204 ( -3.310 -0.753 1.807) 3.846 11.349 ( -7.247 -1.115 3.550) 8.146 11.515 ( 4.838 -4.675 -0.760) 6.770 11.810 ( 8.075 -6.717 -0.591) 10.520 12.155 ( -4.093 5.066 -4.722) 8.044 12.344 ( 3.016 2.317 5.907) 7.026 13.047 ( -3.826 13.807 -4.987) 15.170 13.198 ( 1.933 4.954 2.626) 5.931 13.377 ( -0.642 -5.895 -0.364) 5.941 13.549 ( 4.138 -2.260 2.421) 5.301 15.018 ( -12.042 9.531 -5.220) 16.220 15.442 ( 1.939 2.197 6.868) 7.467 15.669 ( -7.190 1.070 10.871) 13.078 15.790 ( -6.202 4.987 4.490) 9.138 16.096 ( -5.962 3.295 -3.538) 7.676 16.410 ( -3.181 -2.986 -11.621) 12.413 16.569 ( -3.478 1.361 2.239) 4.354 17.028 ( 8.461 11.762 -1.520) 14.569 17.348 ( 6.357 9.828 -3.209) 12.137 17.553 ( 8.065 -6.615 5.138) 11.627 18.153 ( -19.034 -11.443 -4.422) 22.645 19.008 ( 14.634 -13.825 1.246) 20.170 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -3.483 11.872 -1.105) 12.422 1.752 ( -13.409 16.167 -6.151) 21.886 2.094 ( 10.674 6.995 -6.968) 14.540 2.369 ( -1.987 1.336 -15.105) 15.294 2.630 ( 6.773 -5.109 5.558) 10.142 2.773 ( -9.110 6.659 0.809) 11.313 2.842 ( 1.760 5.387 -0.226) 5.672 2.930 ( 0.470 1.655 0.708) 1.861 3.209 ( 6.111 0.580 4.329) 7.511 3.253 ( 6.146 0.534 -0.990) 6.248 3.384 ( 0.863 -6.298 -2.647) 6.886 3.969 ( 5.170 -11.614 -3.287) 13.131 4.393 ( -0.114 -2.920 3.430) 4.506 4.489 ( 1.276 -4.034 5.943) 7.296 4.862 ( 1.352 1.180 4.008) 4.391 4.876 ( -1.496 1.779 4.037) 4.659 5.435 ( 1.170 -2.175 2.065) 3.220 5.533 ( -1.166 -3.226 -1.224) 3.642 5.680 ( 9.355 1.276 4.177) 10.324 5.985 ( 11.405 -3.796 -4.825) 12.953 6.619 ( -1.536 -3.121 -0.339) 3.495 7.128 ( 1.267 -5.382 1.518) 5.733 7.188 ( -3.467 -2.718 -2.447) 5.040 7.259 ( 6.351 -2.698 3.090) 7.560 7.492 ( 6.508 1.984 0.247) 6.808 7.839 ( -1.193 -6.822 1.540) 7.095 7.940 ( 6.430 1.570 -1.936) 6.896 8.239 ( 4.534 -9.864 -3.056) 11.278 8.459 ( -3.419 -10.099 -5.882) 12.177 8.538 ( -7.436 -9.570 4.365) 12.882 8.961 ( -5.508 6.118 4.130) 9.210 9.245 ( -1.531 1.760 1.979) 3.059 9.686 ( -4.036 6.819 -5.836) 9.841 9.944 ( -4.006 2.489 -1.564) 4.969 10.254 ( -4.655 5.996 -3.035) 8.175 10.414 ( -3.777 4.787 -4.378) 7.507 10.664 ( -1.399 6.816 5.650) 8.963 10.885 ( 2.238 7.626 -0.920) 8.001 11.162 ( -5.085 -0.847 0.323) 5.165 11.265 ( -3.856 1.535 1.136) 4.303 11.614 ( 4.111 -2.831 2.678) 5.665 11.908 ( 7.024 -8.894 -3.002) 11.724 12.062 ( -2.055 3.375 -2.088) 4.470 12.458 ( 2.034 -0.111 6.288) 6.610 12.952 ( -1.307 14.217 -3.977) 14.820 13.257 ( 1.953 4.428 2.662) 5.524 13.396 ( 2.249 -4.651 0.676) 5.210 13.636 ( 2.102 -1.661 2.961) 3.993 14.790 ( -10.623 7.987 -1.338) 13.358 15.388 ( -14.637 1.692 4.081) 15.289 15.642 ( -9.136 -2.472 -0.643) 9.486 15.709 ( -2.926 8.050 1.906) 8.775 16.006 ( 1.734 -2.069 -2.997) 4.034 16.298 ( -0.141 -1.524 -2.661) 3.069 16.534 ( -2.164 0.397 -0.123) 2.203 17.084 ( 0.751 5.098 -1.462) 5.357 17.420 ( 11.892 13.945 -12.555) 22.215 17.773 ( -19.920 -8.006 -3.593) 21.767 17.829 ( 8.301 -2.824 16.727) 18.885 19.235 ( 11.925 -11.848 -0.749) 16.827 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -8.530 20.299 0.869) 22.036 1.537 ( -11.659 13.233 5.471) 18.466 2.136 ( 3.869 6.159 -10.414) 12.702 2.246 ( 8.122 2.950 -12.414) 15.126 2.636 ( -14.047 18.640 11.424) 25.986 2.762 ( 1.859 -0.346 -4.855) 5.210 2.797 ( 2.680 1.582 1.527) 3.467 3.010 ( 5.498 -2.626 0.822) 6.148 3.284 ( 2.994 -0.778 -4.361) 5.347 3.376 ( 5.870 -6.567 1.241) 8.895 3.438 ( 7.183 -4.391 -0.862) 8.462 4.004 ( 3.828 -12.812 -3.104) 13.727 4.468 ( 1.260 -2.694 7.774) 8.323 4.591 ( 0.961 -4.071 8.952) 9.881 4.846 ( 0.459 2.381 -2.376) 3.395 5.019 ( 2.250 4.312 11.327) 12.327 5.373 ( -8.229 6.427 -0.549) 10.456 5.522 ( -1.373 -3.011 1.646) 3.696 5.896 ( 10.483 -1.386 2.716) 10.918 6.119 ( 11.660 -6.962 -6.184) 14.922 6.623 ( 1.552 -3.657 0.463) 3.999 7.083 ( -4.234 -8.611 -1.380) 9.694 7.174 ( 5.605 1.384 -6.223) 8.489 7.405 ( 5.839 -6.410 1.811) 8.858 7.578 ( 5.354 2.223 -1.867) 6.090 7.834 ( -1.945 -2.692 2.276) 4.026 8.017 ( 5.300 -4.696 -3.330) 7.825 8.200 ( -1.272 -9.498 -6.349) 11.495 8.400 ( -6.962 -5.999 1.827) 9.370 8.426 ( -5.247 -5.957 2.367) 8.284 8.940 ( -4.711 4.435 8.652) 10.804 9.222 ( -4.867 1.327 5.301) 7.318 9.624 ( 0.860 4.482 -1.476) 4.797 9.890 ( 1.267 0.433 -3.513) 3.759 10.160 ( -2.243 3.814 -2.285) 4.980 10.283 ( -3.990 3.552 -6.208) 8.190 10.692 ( -1.908 7.474 4.306) 8.835 10.874 ( -1.350 7.470 -4.072) 8.614 11.049 ( -6.845 0.818 0.884) 6.951 11.237 ( -1.105 4.412 -1.349) 4.744 11.702 ( 3.378 0.159 2.622) 4.279 11.973 ( 2.890 -8.780 -2.314) 9.529 12.062 ( 3.005 -1.705 2.521) 4.277 12.541 ( 0.184 -3.532 4.580) 5.786 12.911 ( 0.787 13.105 -2.716) 13.407 13.309 ( 0.836 7.665 0.503) 7.726 13.468 ( 5.980 -3.384 0.797) 6.917 13.677 ( -0.891 -1.499 2.590) 3.122 14.632 ( -11.029 4.039 4.291) 12.505 15.145 ( -14.147 2.826 0.037) 14.427 15.458 ( -7.182 2.542 -4.986) 9.105 15.695 ( 0.163 -0.822 0.486) 0.969 16.044 ( 3.189 -7.316 -0.559) 8.000 16.282 ( -0.468 -0.790 -2.303) 2.479 16.508 ( -0.991 2.817 0.062) 2.987 17.018 ( -5.449 -0.242 -5.638) 7.845 17.350 ( -4.550 1.923 -9.705) 10.890 17.558 ( 0.138 11.843 -1.868) 11.990 18.164 ( 7.093 0.088 18.816) 20.109 19.379 ( 8.182 -10.174 -3.697) 13.569 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -7.553 20.417 4.854) 22.304 1.508 ( -3.308 12.167 13.943) 18.798 2.070 ( 4.383 8.841 -13.127) 16.422 2.296 ( 7.546 0.030 -3.101) 8.158 2.550 ( -8.465 21.715 9.433) 25.143 2.772 ( 4.091 5.643 -1.993) 7.249 2.849 ( 0.386 -3.774 1.979) 4.279 3.114 ( 6.556 -1.697 -1.546) 6.946 3.261 ( 0.079 -4.872 -3.634) 6.079 3.438 ( 1.584 -6.744 -2.732) 7.446 3.530 ( 3.437 -5.479 2.548) 6.952 4.018 ( 1.504 -11.016 -3.296) 11.596 4.605 ( 5.393 0.223 6.611) 8.535 4.715 ( -0.674 -1.759 10.975) 11.135 4.830 ( 1.025 2.924 -2.182) 3.789 5.162 ( -4.416 6.152 7.733) 10.824 5.229 ( -3.575 8.010 3.085) 9.298 5.499 ( -3.204 -1.360 1.832) 3.933 6.052 ( 5.790 -3.710 -0.329) 6.885 6.209 ( 8.231 -9.431 -8.136) 14.929 6.663 ( 1.651 -4.572 1.076) 4.979 6.980 ( -4.556 -8.997 -3.991) 10.846 7.213 ( 9.298 1.408 -7.904) 12.285 7.432 ( -1.526 -7.030 -3.681) 8.081 7.666 ( 7.317 1.847 -1.426) 7.681 7.825 ( -2.674 0.610 2.697) 3.846 8.000 ( 0.643 -6.137 -5.890) 8.530 8.120 ( -8.990 0.088 -3.500) 9.648 8.247 ( -1.927 -4.810 4.213) 6.679 8.445 ( -0.576 -10.048 1.126) 10.128 9.030 ( 0.848 0.262 12.291) 12.323 9.221 ( -4.637 -2.602 9.840) 11.185 9.667 ( 2.436 5.034 2.104) 5.975 9.872 ( 2.808 -0.989 -7.341) 7.921 10.116 ( -1.597 0.766 -1.979) 2.656 10.186 ( 0.393 5.238 -2.976) 6.037 10.668 ( -5.009 5.044 -1.104) 7.194 10.800 ( 0.410 6.702 -0.785) 6.760 10.984 ( -3.252 4.338 1.134) 5.539 11.175 ( -2.929 5.821 -3.741) 7.513 11.774 ( 1.599 2.496 1.678) 3.406 12.004 ( 3.413 -7.566 0.037) 8.300 12.164 ( 3.711 -6.113 3.848) 8.120 12.556 ( -3.519 -5.743 2.905) 7.335 12.915 ( 2.355 11.145 -1.256) 11.460 13.272 ( -2.374 9.229 -4.509) 10.542 13.605 ( 7.772 -0.391 1.015) 7.847 13.680 ( -1.007 -0.259 1.960) 2.218 14.493 ( -14.961 1.994 9.533) 17.851 14.991 ( -3.165 0.299 -1.639) 3.577 15.328 ( -1.476 3.594 -3.657) 5.335 15.737 ( 2.820 -4.961 2.003) 6.048 16.066 ( 1.835 -8.006 -4.105) 9.182 16.219 ( -2.275 -3.253 -3.723) 5.443 16.466 ( -4.350 3.191 -1.604) 5.628 16.784 ( -8.054 -4.571 -8.624) 12.654 17.279 ( 1.269 8.472 0.548) 8.584 17.556 ( 2.103 16.546 -4.440) 17.260 18.476 ( 4.477 -0.036 19.021) 19.540 19.418 ( 3.731 -8.789 -6.979) 11.827 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.733 19.026 1.347) 19.152 1.890 ( 6.202 9.654 2.256) 11.694 2.264 ( 4.854 11.603 -4.511) 13.363 2.373 ( 0.344 1.079 0.351) 1.186 2.585 ( -2.633 -8.354 -0.297) 8.764 2.800 ( 1.570 -8.474 -7.925) 11.708 2.909 ( 2.140 1.608 -2.678) 3.787 3.014 ( -6.204 2.707 -2.204) 7.119 3.264 ( -3.620 -3.589 1.447) 5.299 3.348 ( 3.229 0.305 0.362) 3.264 3.482 ( 2.281 -2.879 8.614) 9.365 3.773 ( -1.282 -9.156 -2.857) 9.676 4.818 ( 0.021 2.158 11.307) 11.511 4.855 ( 6.406 2.302 8.375) 10.793 4.983 ( -1.128 10.440 1.360) 10.588 5.180 ( -6.920 4.750 0.170) 8.395 5.495 ( -3.572 3.070 5.171) 6.995 5.510 ( 3.068 6.958 6.566) 10.047 5.967 ( -0.347 -4.471 -5.396) 7.016 5.995 ( 2.408 -8.620 -7.597) 11.740 6.554 ( -2.398 -5.801 0.590) 6.304 6.670 ( -0.162 -10.082 -4.584) 11.077 7.206 ( -1.866 -2.549 -4.498) 5.497 7.248 ( 2.369 -3.287 -6.317) 7.505 7.777 ( 1.123 1.305 -0.054) 1.723 7.808 ( -2.982 1.137 -1.336) 3.460 7.967 ( 4.968 0.448 0.408) 5.005 8.008 ( -5.011 1.110 -0.410) 5.148 8.137 ( -0.905 -7.889 2.837) 8.432 8.225 ( 4.452 -8.991 -1.675) 10.172 9.166 ( -1.024 -0.149 11.609) 11.655 9.240 ( -0.559 -2.907 14.062) 14.370 9.749 ( 2.795 0.557 -9.473) 9.892 9.777 ( 0.746 1.234 -7.524) 7.661 10.134 ( 0.133 2.616 -0.895) 2.768 10.219 ( 0.418 -0.514 -3.639) 3.699 10.766 ( 0.182 6.862 3.631) 7.766 10.887 ( -0.780 1.292 0.841) 1.728 11.078 ( 1.014 4.428 -0.608) 4.583 11.154 ( -2.817 1.842 -4.047) 5.264 11.880 ( -2.444 5.426 2.226) 6.354 11.966 ( 4.215 -0.324 -0.998) 4.343 12.171 ( 5.889 -5.814 4.329) 9.339 12.312 ( -7.239 -9.321 0.006) 11.802 13.166 ( 1.406 9.296 0.253) 9.405 13.297 ( -3.104 4.009 -4.697) 6.911 13.712 ( -1.985 2.626 3.301) 4.662 13.758 ( 3.199 0.452 2.071) 3.838 14.537 ( -3.657 9.038 7.135) 12.082 14.885 ( 1.632 -4.584 -5.751) 7.534 15.427 ( 1.544 4.228 4.658) 6.478 15.614 ( -3.817 -6.408 3.493) 8.236 15.907 ( 1.573 -4.728 -6.099) 7.876 16.007 ( 0.800 -7.445 -6.486) 9.906 16.406 ( -4.832 3.392 -2.108) 6.269 16.575 ( 2.128 -4.080 -6.837) 8.241 17.598 ( 3.344 11.131 6.020) 13.089 17.783 ( 0.892 6.468 -1.932) 6.809 18.760 ( 0.384 5.020 10.482) 11.629 19.156 ( -1.152 -10.061 -6.972) 12.295 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 5.862 17.815 1.660) 18.828 1.968 ( 7.385 8.539 -9.341) 14.653 2.228 ( -4.844 8.532 -2.347) 10.088 2.411 ( 5.278 4.017 -1.366) 6.772 2.514 ( -7.479 -8.950 1.391) 11.746 2.739 ( -0.140 -10.803 -7.530) 13.169 2.838 ( -8.079 2.374 -2.727) 8.851 2.945 ( -0.095 -2.354 5.401) 5.892 3.252 ( -1.383 1.434 3.401) 3.942 3.380 ( 0.561 -1.142 -0.696) 1.451 3.606 ( 0.287 -4.921 7.441) 8.926 3.678 ( -3.225 -6.745 -5.416) 9.232 4.816 ( -6.499 8.902 -0.692) 11.044 4.941 ( -3.809 6.352 0.666) 7.437 5.048 ( 2.475 4.631 6.055) 8.014 5.147 ( 0.972 2.925 4.939) 5.822 5.494 ( -4.399 2.735 6.649) 8.428 5.608 ( 0.606 4.761 3.515) 5.949 5.851 ( -4.657 -4.306 -6.016) 8.742 5.949 ( 0.901 -9.685 -4.834) 10.862 6.537 ( -0.180 -4.548 1.796) 4.893 6.694 ( 6.848 -9.384 -1.767) 11.751 7.076 ( -7.222 1.290 -2.209) 7.662 7.236 ( 1.003 -7.194 -2.745) 7.765 7.709 ( -5.683 3.556 -0.344) 6.712 7.773 ( -2.386 -0.669 0.648) 2.562 7.912 ( -1.811 -3.059 -2.069) 4.114 8.006 ( -4.682 -6.846 1.485) 8.426 8.231 ( 12.044 0.390 0.765) 12.075 8.374 ( 11.556 -5.802 -1.516) 13.019 9.272 ( -1.895 -0.894 10.048) 10.264 9.348 ( -3.722 -2.793 7.557) 8.874 9.677 ( 3.375 0.963 -8.595) 9.284 9.730 ( 3.901 0.487 -8.098) 9.002 10.135 ( 0.159 2.853 0.272) 2.870 10.198 ( 1.900 -0.010 -2.272) 2.962 10.822 ( 0.402 5.014 2.449) 5.595 10.890 ( 1.370 2.448 -0.968) 2.967 11.078 ( -0.161 4.353 -0.670) 4.407 11.129 ( 3.461 1.893 1.131) 4.104 11.817 ( -6.127 2.803 1.022) 6.815 11.986 ( -0.945 3.087 -2.160) 3.884 12.158 ( -6.354 -7.403 -2.039) 9.967 12.358 ( 6.387 -7.924 5.359) 11.502 13.217 ( -0.230 6.983 -2.647) 7.471 13.225 ( 3.324 6.751 2.050) 7.799 13.671 ( -5.694 3.063 0.836) 6.519 13.770 ( -3.491 -0.557 1.448) 3.820 14.640 ( 5.018 8.092 7.024) 11.832 14.887 ( 6.440 -3.714 -6.037) 9.576 15.482 ( -1.994 2.989 1.915) 4.072 15.615 ( 2.392 0.496 2.345) 3.386 15.843 ( -1.004 -5.748 -4.177) 7.176 16.033 ( 7.468 -8.522 -2.666) 11.640 16.390 ( 2.688 1.224 3.478) 4.563 16.593 ( 7.793 -5.692 -5.214) 10.968 17.680 ( -0.972 12.025 1.607) 12.171 17.736 ( -0.784 10.727 -3.188) 11.218 18.850 ( -4.296 -1.843 10.848) 11.812 19.006 ( -6.170 -7.745 -8.276) 12.905 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 1.474 11.814 -4.655) 12.783 1.990 ( 8.275 8.743 -7.388) 14.124 2.108 ( -3.565 4.504 -3.619) 6.789 2.259 ( -12.775 2.585 -4.890) 13.921 2.547 ( 0.483 -5.774 4.571) 7.380 2.642 ( -4.590 -0.651 -0.488) 4.661 2.760 ( 0.363 -1.644 2.010) 2.622 3.000 ( -2.902 -6.289 6.419) 9.443 3.258 ( -0.998 5.082 0.141) 5.181 3.356 ( -1.473 -2.286 -1.671) 3.191 3.516 ( -5.309 -3.429 -6.844) 9.316 3.678 ( -2.381 -7.009 4.322) 8.571 4.698 ( -4.378 8.314 -1.414) 9.502 4.849 ( -4.491 5.852 -1.484) 7.525 5.072 ( -0.747 2.443 -3.929) 4.686 5.262 ( 2.838 -0.129 6.617) 7.201 5.468 ( -4.307 2.424 -0.075) 4.943 5.597 ( -3.109 -1.147 -2.516) 4.161 5.730 ( -5.395 -2.943 1.954) 6.449 5.911 ( -1.853 -9.955 -1.809) 10.286 6.587 ( 2.341 0.396 2.012) 3.112 6.834 ( 9.556 -7.881 0.654) 12.404 6.971 ( -4.154 4.011 3.010) 6.512 7.211 ( -2.147 -8.271 0.951) 8.598 7.626 ( -4.247 4.003 -0.006) 5.836 7.736 ( -2.971 -2.229 1.233) 3.913 7.870 ( -0.018 -6.103 -2.777) 6.706 7.942 ( -3.869 -6.131 0.108) 7.250 8.470 ( 13.305 1.466 1.792) 13.505 8.515 ( 8.350 -1.912 -4.746) 9.793 9.292 ( -3.636 -0.028 -1.965) 4.133 9.334 ( 0.183 -2.244 5.417) 5.866 9.673 ( 2.075 0.528 -2.522) 3.308 9.713 ( 1.192 -0.399 -4.246) 4.428 10.138 ( 0.453 3.394 -1.008) 3.570 10.225 ( 2.666 0.278 -0.145) 2.684 10.863 ( 3.551 5.856 1.403) 6.991 10.909 ( 2.585 4.519 0.054) 5.206 11.124 ( 3.808 3.276 1.523) 5.249 11.216 ( 3.540 -0.160 2.064) 4.101 11.724 ( -6.219 -1.674 0.793) 6.489 11.839 ( -9.699 -2.444 -3.882) 10.729 12.113 ( 0.667 3.600 -0.238) 3.669 12.474 ( 2.169 -8.047 2.067) 8.587 13.195 ( 0.868 8.812 -2.031) 9.085 13.336 ( 4.468 4.274 3.647) 7.179 13.554 ( -7.213 2.954 -1.535) 7.944 13.710 ( -4.617 -2.445 1.364) 5.400 14.799 ( 6.564 4.944 1.330) 8.325 14.972 ( 8.784 -3.005 -0.238) 9.287 15.453 ( -3.024 6.140 3.221) 7.564 15.732 ( 8.702 7.139 1.281) 11.329 15.801 ( -1.535 -6.236 0.342) 6.432 16.146 ( 8.962 -4.184 -2.592) 10.225 16.579 ( 11.713 -5.424 7.277) 14.818 16.701 ( 10.383 -6.358 -3.045) 12.550 17.556 ( -5.953 14.121 -7.918) 17.250 17.735 ( -1.133 9.370 0.931) 9.484 18.749 ( -10.977 -4.758 -8.193) 14.500 18.880 ( -7.592 -7.802 8.688) 13.928 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.356 9.192 -4.052) 10.052 1.986 ( -5.592 3.116 -2.419) 6.843 2.001 ( -0.635 3.708 -2.055) 4.286 2.106 ( -1.773 5.920 -1.582) 6.379 2.521 ( -6.522 -3.083 2.091) 7.512 2.631 ( 1.868 -1.669 3.472) 4.281 2.836 ( -0.503 -0.370 4.941) 4.981 2.984 ( -4.810 -5.686 4.820) 8.871 3.213 ( -3.043 4.780 -1.748) 5.930 3.299 ( -2.985 -3.400 -4.115) 6.116 3.372 ( -2.712 3.142 -2.418) 4.804 3.646 ( -4.379 -7.989 1.381) 9.214 4.652 ( 1.235 4.123 -2.760) 5.112 4.792 ( -0.303 1.102 -1.714) 2.060 4.990 ( -0.432 4.884 -6.681) 8.287 5.323 ( -2.093 -3.392 -3.452) 5.273 5.372 ( -1.095 -0.337 -2.661) 2.897 5.471 ( -6.761 -5.229 -3.087) 9.087 5.686 ( -6.255 -2.216 4.799) 8.190 5.824 ( -5.921 -8.736 -2.246) 10.790 6.626 ( 1.110 3.873 0.321) 4.041 6.972 ( 5.045 -8.595 -0.507) 9.979 7.034 ( 4.457 4.539 6.699) 9.238 7.227 ( 0.600 -3.994 4.591) 6.115 7.555 ( -3.780 4.151 -0.467) 5.634 7.710 ( -2.522 -2.566 2.072) 4.152 7.840 ( 0.221 -6.594 -3.316) 7.384 7.880 ( -3.497 -5.170 0.217) 6.245 8.517 ( 2.020 1.612 -9.096) 9.456 8.660 ( 7.690 -3.377 -1.970) 8.627 9.264 ( 3.170 4.917 -0.419) 5.865 9.453 ( 5.662 -1.598 6.087) 8.465 9.604 ( -2.572 2.535 -7.794) 8.590 9.708 ( -0.807 -1.911 3.775) 4.308 10.136 ( 0.169 3.167 1.049) 3.341 10.292 ( 4.572 -0.493 1.511) 4.841 10.973 ( 5.022 7.364 3.595) 9.611 10.999 ( 6.755 5.575 1.791) 8.940 11.204 ( 4.207 1.057 -0.028) 4.338 11.254 ( -0.131 0.003 -1.661) 1.666 11.619 ( -7.141 -3.309 0.726) 7.904 11.662 ( -6.918 -5.111 -1.923) 8.813 12.131 ( 0.996 6.944 0.689) 7.049 12.489 ( -1.172 -6.644 0.062) 6.747 13.182 ( -0.167 8.937 -1.864) 9.131 13.394 ( -2.568 -2.193 -1.631) 3.751 13.444 ( -1.096 6.132 -0.188) 6.231 13.670 ( -2.196 -3.784 1.470) 4.615 14.891 ( 5.916 5.403 -1.035) 8.078 15.163 ( 8.742 -5.072 6.391) 11.958 15.463 ( -2.913 6.922 7.101) 10.336 15.787 ( -2.528 -6.498 2.724) 7.486 15.947 ( 15.053 13.412 1.419) 20.212 16.272 ( 10.061 2.444 -3.343) 10.880 16.831 ( 11.126 -5.963 -2.816) 12.934 16.897 ( 11.609 -6.564 6.934) 15.031 17.352 ( -6.434 11.830 -7.755) 15.540 17.706 ( -1.364 4.287 -1.387) 4.707 18.438 ( -13.926 -1.706 -9.363) 16.868 18.820 ( -10.480 -11.858 6.749) 17.204 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -4.427 5.708 -7.331) 10.291 1.910 ( -9.691 0.255 0.003) 9.694 2.016 ( 1.756 6.597 10.858) 12.826 2.144 ( 10.710 3.574 0.420) 11.299 2.438 ( -4.793 -0.415 1.390) 5.007 2.741 ( 3.804 -3.248 4.912) 7.011 2.785 ( -6.551 -1.080 1.087) 6.728 2.975 ( -5.495 -3.508 4.454) 7.896 3.165 ( -2.054 0.704 -1.477) 2.626 3.193 ( -0.846 3.163 -0.962) 3.413 3.373 ( 1.053 5.424 2.726) 6.161 3.590 ( -3.850 -7.136 1.140) 8.188 4.655 ( 4.280 0.643 -6.161) 7.529 4.778 ( 3.446 -4.101 -6.608) 8.507 4.939 ( 2.481 5.860 -5.281) 8.269 5.160 ( -4.638 0.023 -10.229) 11.231 5.300 ( -5.919 -7.759 -4.660) 10.815 5.345 ( -4.915 -4.713 -1.197) 6.914 5.625 ( -5.839 -3.598 3.023) 7.495 5.684 ( -6.804 -6.897 -2.045) 9.902 6.655 ( 1.885 4.386 1.076) 4.894 7.002 ( 0.093 -8.186 -0.367) 8.194 7.199 ( 5.173 1.895 4.518) 7.125 7.268 ( -0.159 1.257 -0.511) 1.366 7.519 ( 1.072 5.713 -0.614) 5.845 7.695 ( -3.804 -2.247 4.435) 6.260 7.797 ( -2.266 -3.914 -1.394) 4.733 7.856 ( 0.100 -8.494 1.906) 8.706 8.412 ( -0.319 3.102 -10.278) 10.740 8.683 ( 2.135 -8.298 -6.570) 10.798 9.321 ( 1.794 6.360 -1.209) 6.718 9.437 ( -1.713 2.252 -10.167) 10.553 9.669 ( 6.889 5.447 10.343) 13.569 9.805 ( 3.807 -2.469 9.412) 10.449 10.189 ( 1.453 2.695 6.052) 6.783 10.397 ( 4.189 -2.139 3.185) 5.680 11.061 ( 1.400 8.854 0.039) 8.964 11.096 ( 2.198 5.338 -7.102) 9.152 11.208 ( 1.375 2.693 2.388) 3.853 11.283 ( 4.602 -2.043 1.248) 5.187 11.522 ( -5.657 -3.572 -1.499) 6.856 11.546 ( -5.481 -6.522 1.130) 8.593 12.165 ( 1.583 7.134 1.775) 7.520 12.458 ( -2.223 -4.294 0.135) 4.837 13.151 ( -0.713 6.021 -1.745) 6.309 13.321 ( -1.740 -2.481 -1.451) 3.360 13.433 ( 0.027 4.527 -2.486) 5.165 13.646 ( -2.208 -2.635 -0.203) 3.444 15.005 ( 6.704 8.148 2.735) 10.900 15.358 ( 2.179 -5.939 8.783) 10.824 15.537 ( 1.552 3.700 10.121) 10.887 15.777 ( -2.828 -6.439 4.060) 8.121 16.208 ( 9.924 17.679 1.583) 20.335 16.411 ( 14.449 7.599 -5.316) 17.169 16.933 ( 6.578 1.682 -8.370) 10.778 17.037 ( -0.870 3.581 2.665) 4.548 17.250 ( -0.197 1.145 -1.970) 2.287 17.726 ( 7.385 -11.306 0.608) 13.518 18.092 ( -14.503 3.025 -9.012) 17.341 18.684 ( -12.292 -14.636 2.971) 19.343 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -0.047 2.757 -5.825) 6.444 1.697 ( -8.575 -1.052 -4.620) 9.797 2.258 ( 5.393 3.997 13.468) 15.048 2.383 ( 10.097 1.084 5.915) 11.752 2.412 ( 0.553 3.096 2.596) 4.078 2.691 ( -4.724 -0.752 0.907) 4.869 2.850 ( 3.246 -3.793 2.888) 5.767 2.922 ( -4.272 -2.669 2.673) 5.703 3.117 ( -1.022 6.723 0.929) 6.864 3.217 ( 1.191 2.409 -1.162) 2.928 3.468 ( 2.289 2.818 8.868) 9.582 3.541 ( -4.389 -3.994 2.627) 6.490 4.620 ( 2.957 0.189 -12.074) 12.432 4.716 ( 2.870 -1.443 -17.163) 17.461 4.912 ( 0.791 -2.789 -3.898) 4.858 5.005 ( -3.038 1.638 -5.411) 6.418 5.169 ( -2.737 -8.173 -1.463) 8.743 5.229 ( -4.665 -4.943 -3.992) 7.882 5.572 ( -2.932 -4.255 1.178) 5.300 5.588 ( -2.426 -5.812 -0.547) 6.322 6.717 ( 2.464 3.486 3.323) 5.410 6.975 ( -2.091 -4.303 -1.472) 5.005 7.207 ( -3.344 0.817 -0.216) 3.449 7.275 ( -0.269 -0.386 -0.729) 0.867 7.577 ( 6.057 4.712 -1.789) 7.880 7.670 ( -4.624 2.965 2.870) 6.198 7.751 ( -2.671 -5.738 2.732) 6.894 7.927 ( 3.492 -8.840 4.130) 10.363 8.301 ( 0.228 2.019 -8.575) 8.813 8.614 ( 0.694 -10.487 -9.175) 13.951 9.296 ( -1.706 4.430 -2.089) 5.186 9.321 ( -0.492 3.426 -6.193) 7.095 9.917 ( 7.377 6.744 9.994) 14.135 9.991 ( 3.520 0.746 10.285) 10.896 10.311 ( 1.992 2.223 9.827) 10.271 10.480 ( 0.747 -1.630 3.471) 3.907 10.967 ( -2.364 4.207 -8.355) 9.649 11.013 ( -1.679 6.257 -7.895) 10.213 11.283 ( -0.751 2.813 2.568) 3.882 11.379 ( 2.455 -1.758 0.500) 3.061 11.449 ( 2.780 -2.028 -0.383) 3.462 11.478 ( -5.215 -5.602 2.270) 7.983 12.225 ( 2.017 6.121 3.366) 7.270 12.420 ( -2.439 -1.318 -0.292) 2.787 13.136 ( 1.064 2.411 -0.756) 2.742 13.289 ( -0.199 -6.020 -3.341) 6.888 13.412 ( 0.804 7.349 -0.422) 7.405 13.583 ( -3.794 0.354 -2.046) 4.324 15.166 ( 6.151 8.191 5.987) 11.864 15.425 ( -2.880 -2.977 6.025) 7.311 15.692 ( -1.701 0.222 11.556) 11.683 15.833 ( 2.573 -4.323 8.866) 10.194 16.217 ( -5.342 15.991 -2.329) 17.020 16.620 ( 13.744 4.318 -9.769) 17.406 16.892 ( 2.320 11.822 -4.221) 12.765 17.089 ( -0.031 -0.883 3.390) 3.503 17.163 ( -1.299 5.418 -5.042) 7.514 17.770 ( -7.923 1.080 -11.546) 14.044 17.978 ( 13.453 -15.340 7.315) 21.676 18.484 ( -12.527 -15.812 -1.264) 20.212 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 2.001 2.934 -3.660) 5.100 1.685 ( 13.553 -1.480 -4.161) 14.254 2.382 ( -2.854 -0.369 5.681) 6.368 2.462 ( 2.897 -4.718 4.377) 7.057 2.596 ( 0.631 8.339 2.450) 8.714 2.645 ( 1.112 6.047 0.553) 6.173 2.886 ( -2.684 -3.759 1.050) 4.736 2.947 ( 4.179 -5.479 2.231) 7.243 3.144 ( 1.347 6.682 1.263) 6.933 3.191 ( -0.591 1.683 -2.753) 3.280 3.522 ( -4.704 2.116 7.469) 9.077 3.621 ( 2.675 -0.679 9.402) 9.799 4.471 ( 0.273 1.371 -16.598) 16.657 4.527 ( 0.626 -0.717 -16.501) 16.528 4.873 ( -4.943 -2.079 -1.585) 5.592 4.940 ( 2.767 -2.421 -1.496) 3.969 5.118 ( -2.357 -3.830 0.135) 4.499 5.223 ( 7.676 -8.245 -2.194) 11.476 5.542 ( -1.186 -2.746 0.724) 3.078 5.618 ( 5.568 -6.709 -0.260) 8.722 6.792 ( -0.662 2.547 4.493) 5.207 6.905 ( -1.992 0.977 -2.488) 3.334 7.175 ( -2.260 -3.839 2.497) 5.106 7.234 ( -1.558 -0.503 -1.400) 2.154 7.554 ( -6.217 3.651 0.582) 7.233 7.673 ( 2.743 -2.055 -1.072) 3.591 7.799 ( 2.653 0.696 4.646) 5.395 8.037 ( 5.965 -6.870 0.056) 9.098 8.240 ( -0.102 -2.272 -1.883) 2.952 8.510 ( 0.611 -10.991 -10.759) 15.392 9.229 ( -3.555 4.512 -1.164) 5.861 9.278 ( 0.073 2.591 -2.167) 3.378 10.079 ( -0.653 5.005 5.583) 7.527 10.116 ( 1.076 3.441 4.087) 5.450 10.450 ( -0.203 3.003 9.772) 10.225 10.510 ( -1.562 1.872 5.198) 5.741 10.864 ( -1.483 3.364 -8.250) 9.032 10.882 ( 1.266 2.390 -7.510) 7.982 11.236 ( -4.957 1.052 2.020) 5.455 11.394 ( -7.063 -4.983 3.318) 9.258 11.423 ( 4.738 2.503 -2.686) 5.994 11.572 ( 6.936 -3.583 0.919) 7.860 12.301 ( 1.255 4.154 4.588) 6.315 12.363 ( -2.821 1.961 -2.037) 3.994 13.171 ( 3.074 -0.766 0.525) 3.211 13.228 ( -0.500 -4.167 -5.317) 6.773 13.455 ( 0.617 5.765 2.021) 6.140 13.488 ( -2.843 3.490 -1.579) 4.770 15.309 ( 0.456 4.381 5.959) 7.410 15.424 ( 0.076 0.530 0.517) 0.744 15.745 ( -9.035 5.723 12.952) 16.797 15.927 ( -4.393 5.177 4.802) 8.316 16.149 ( -0.779 1.766 5.752) 6.067 16.536 ( -3.359 -5.396 -14.997) 16.289 16.822 ( -9.648 8.239 -1.336) 12.757 17.069 ( 3.540 -0.771 -2.889) 4.634 17.317 ( 12.194 13.780 5.824) 19.300 17.574 ( 1.279 6.248 -11.996) 13.586 18.177 ( -9.367 -14.675 0.345) 17.413 18.369 ( 12.571 -18.483 1.343) 22.393 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 11.864 7.843 -3.120) 14.560 1.942 ( 19.490 -1.513 -3.182) 19.806 2.381 ( -4.092 4.189 -0.307) 5.864 2.439 ( -6.471 6.570 -2.346) 9.515 2.560 ( 1.694 -4.270 -3.548) 5.805 2.679 ( -0.654 1.987 0.762) 2.226 2.848 ( -1.245 -2.467 0.089) 2.765 3.021 ( 3.596 -4.060 -0.149) 5.426 3.139 ( 0.525 1.081 -0.139) 1.210 3.208 ( 1.036 1.488 1.536) 2.376 3.501 ( -7.748 7.861 4.985) 12.111 3.735 ( 1.960 -4.483 2.491) 5.490 4.357 ( 1.115 -1.152 -5.066) 5.313 4.393 ( 1.315 -1.695 -8.466) 8.733 4.834 ( 0.840 2.156 2.003) 3.061 4.948 ( 0.400 4.116 -0.310) 4.147 5.172 ( 5.164 -7.904 3.289) 9.997 5.342 ( 8.448 -8.595 -1.981) 12.214 5.573 ( 3.740 -0.584 1.650) 4.129 5.736 ( 9.027 -7.359 -1.301) 11.719 6.726 ( -6.311 5.091 -1.061) 8.178 6.935 ( 2.182 -2.917 3.189) 4.842 7.156 ( -1.822 -3.046 1.568) 3.880 7.209 ( -3.679 -4.062 2.047) 5.850 7.493 ( 0.457 5.765 -0.459) 5.802 7.704 ( 0.348 -4.567 2.479) 5.208 7.904 ( 4.527 2.841 2.232) 5.792 8.092 ( 6.303 -2.625 -8.398) 10.824 8.265 ( -1.876 -8.518 8.115) 11.913 8.397 ( 0.275 -10.095 -10.168) 14.331 9.157 ( -4.689 5.687 0.839) 7.418 9.263 ( -1.104 0.750 0.860) 1.588 10.010 ( -6.884 5.667 -4.066) 9.800 10.100 ( -4.758 1.985 -1.097) 5.270 10.460 ( -5.233 4.411 0.918) 6.906 10.558 ( -1.663 1.623 2.699) 3.562 10.776 ( 0.417 5.821 -1.499) 6.025 10.910 ( 5.185 0.165 0.419) 5.204 11.195 ( -3.922 1.184 3.299) 5.260 11.322 ( -5.727 -2.468 3.094) 6.961 11.479 ( 5.856 1.816 -2.391) 6.581 11.676 ( 5.908 -5.921 -1.734) 8.543 12.267 ( -4.044 5.115 -2.781) 7.089 12.376 ( 0.469 0.467 4.248) 4.299 13.176 ( 1.119 -0.691 -3.966) 4.179 13.242 ( 3.811 -3.402 1.211) 5.250 13.383 ( -3.789 8.630 -0.635) 9.447 13.544 ( 2.324 0.930 3.222) 4.080 15.248 ( -7.000 10.566 -3.941) 13.272 15.475 ( 0.959 0.061 1.784) 2.027 15.656 ( -14.603 1.834 12.084) 19.043 15.898 ( -8.335 0.930 3.178) 8.968 16.181 ( -4.033 3.805 2.531) 6.095 16.308 ( -3.855 -4.672 -8.028) 10.056 16.662 ( -6.811 7.860 0.421) 10.409 17.112 ( 1.143 -4.521 2.579) 5.329 17.450 ( 2.574 -0.115 -3.958) 4.723 17.632 ( 12.187 8.519 -7.014) 16.441 17.968 ( -6.439 0.072 -0.703) 6.478 18.668 ( 16.057 -18.133 2.855) 24.388 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 7.388 13.428 -2.649) 15.553 2.095 ( -10.740 14.554 -9.404) 20.386 2.191 ( 11.645 0.746 -6.348) 13.284 2.391 ( -2.944 0.427 -12.975) 13.312 2.523 ( 5.691 -3.457 4.673) 8.135 2.747 ( 2.452 -5.406 2.101) 6.297 2.855 ( 2.487 2.064 1.338) 3.498 3.103 ( 4.110 0.798 0.972) 4.298 3.167 ( 1.985 -4.565 -0.175) 4.981 3.235 ( 0.749 0.962 3.596) 3.797 3.393 ( -6.203 7.549 -1.605) 9.902 3.741 ( 1.148 -9.392 -4.371) 10.422 4.350 ( -0.207 -1.138 3.245) 3.445 4.404 ( 0.325 -3.626 5.611) 6.688 4.912 ( 4.353 5.078 0.307) 6.695 4.993 ( 3.272 8.386 4.804) 10.203 5.314 ( 6.032 -7.726 3.735) 10.489 5.431 ( 4.071 -7.261 -1.436) 8.447 5.702 ( 8.430 0.474 2.188) 8.723 5.870 ( 9.456 -6.886 -2.994) 12.075 6.627 ( -4.331 4.280 0.193) 6.093 6.963 ( -2.471 -8.501 0.515) 8.868 7.165 ( -0.544 -0.706 -0.051) 0.893 7.190 ( 1.443 -2.811 4.491) 5.491 7.547 ( 4.952 2.946 -0.064) 5.762 7.742 ( 0.479 -3.535 2.703) 4.476 7.970 ( 3.351 2.055 -3.342) 5.160 8.083 ( 3.457 -4.632 -7.615) 9.559 8.273 ( -0.912 -6.580 -2.791) 7.206 8.346 ( -3.803 -8.248 6.940) 11.431 9.099 ( -6.126 6.193 4.763) 9.928 9.253 ( -3.353 -0.939 3.269) 4.776 9.830 ( -5.363 6.458 -6.579) 10.665 9.972 ( -4.789 0.013 -4.973) 6.904 10.342 ( -4.818 3.776 -4.773) 7.763 10.484 ( -4.352 0.231 -4.698) 6.408 10.816 ( -1.280 7.255 6.250) 9.661 11.017 ( 3.422 1.974 3.799) 5.481 11.139 ( -6.495 1.746 0.597) 6.752 11.286 ( -0.909 -0.405 0.703) 1.218 11.571 ( 6.276 -0.346 0.435) 6.301 11.736 ( 5.312 -7.166 -3.342) 9.525 12.174 ( -3.430 6.489 -1.872) 7.575 12.417 ( -0.937 -3.628 3.710) 5.273 13.173 ( 2.182 5.259 -2.483) 6.211 13.307 ( 2.811 -2.966 1.238) 4.270 13.373 ( 1.603 6.983 2.362) 7.543 13.606 ( 0.824 -1.668 2.973) 3.507 15.039 ( -9.933 14.567 -6.299) 18.723 15.415 ( -11.107 0.600 2.058) 11.312 15.578 ( -11.153 -2.473 6.543) 13.165 15.720 ( -8.267 -8.420 0.587) 11.815 16.063 ( -5.006 7.503 -5.673) 10.655 16.270 ( -0.757 -1.731 0.684) 2.009 16.616 ( -1.927 8.320 3.383) 9.186 17.120 ( -3.806 -3.618 0.483) 5.273 17.482 ( -2.809 -9.986 3.949) 11.100 17.522 ( 2.734 -2.946 -15.260) 15.780 18.112 ( 12.621 20.816 5.748) 25.012 18.936 ( 13.417 -16.338 0.672) 21.151 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -4.898 13.631 -0.627) 14.498 1.847 ( -5.383 18.080 -5.083) 19.537 2.170 ( 0.387 -1.514 -6.092) 6.289 2.360 ( 8.901 3.959 -9.417) 13.549 2.655 ( 2.651 -3.855 2.547) 5.327 2.774 ( 4.529 0.311 -3.535) 5.754 2.963 ( 5.030 -0.238 1.136) 5.162 3.115 ( -3.152 14.136 5.627) 15.537 3.171 ( 0.163 -7.467 -3.504) 8.250 3.295 ( -0.001 0.379 -3.627) 3.647 3.357 ( 6.243 -3.968 0.513) 7.415 3.723 ( 1.872 -13.361 -1.194) 13.544 4.438 ( 1.628 -0.284 10.270) 10.402 4.506 ( 0.476 -3.544 11.294) 11.846 4.958 ( 3.728 8.639 -2.989) 9.872 5.145 ( 4.287 7.346 8.493) 12.020 5.407 ( 0.448 -3.675 -0.241) 3.710 5.464 ( 1.258 -2.926 2.407) 3.993 5.866 ( 8.597 -1.382 0.314) 8.713 5.971 ( 7.735 -6.453 -4.633) 11.088 6.588 ( -1.926 1.244 1.493) 2.736 6.888 ( -5.122 -9.696 -1.152) 11.026 7.187 ( 4.769 0.547 -3.519) 5.951 7.280 ( 3.474 -4.511 1.792) 5.970 7.630 ( 5.232 2.350 -0.532) 5.760 7.781 ( 1.475 -2.472 1.638) 3.312 7.945 ( 2.114 -1.728 -8.482) 8.911 8.027 ( 0.660 -6.764 -5.216) 8.567 8.271 ( -1.150 -3.973 3.314) 5.300 8.329 ( -8.508 -4.405 6.980) 11.854 9.047 ( -7.743 5.216 7.093) 11.724 9.211 ( -7.422 -2.058 5.293) 9.346 9.734 ( 1.521 5.524 -4.141) 7.069 9.883 ( 1.260 -1.096 -4.935) 5.210 10.221 ( -2.682 3.241 -4.889) 6.450 10.348 ( -3.979 0.550 -5.597) 6.889 10.837 ( -4.033 6.251 4.827) 8.868 11.004 ( -7.973 1.405 -1.188) 8.183 11.084 ( 0.913 5.242 1.214) 5.458 11.281 ( -0.032 -0.360 -1.478) 1.522 11.689 ( 5.944 -0.832 2.613) 6.546 11.796 ( 5.884 -6.816 -2.453) 9.332 12.119 ( -1.882 5.817 -0.109) 6.115 12.429 ( -2.285 -6.853 2.895) 7.783 13.172 ( 0.471 10.536 -1.577) 10.664 13.398 ( 4.157 -2.475 0.847) 4.912 13.451 ( 5.050 5.085 3.280) 7.881 13.641 ( -0.286 -2.273 2.932) 3.721 14.806 ( -11.643 11.561 -2.495) 16.597 15.178 ( -12.922 -0.794 -3.880) 13.515 15.459 ( -9.705 -0.401 5.559) 11.191 15.657 ( -5.323 -5.910 4.412) 9.096 15.961 ( 0.805 2.248 -5.866) 6.334 16.218 ( -2.300 -5.088 -4.722) 7.313 16.623 ( -2.514 7.401 1.613) 7.981 16.957 ( -10.889 -5.833 -6.791) 14.096 17.378 ( 1.484 3.055 -2.051) 3.968 17.625 ( 6.173 -4.784 2.999) 8.366 18.382 ( 10.412 18.089 6.893) 21.980 19.120 ( 9.339 -14.334 -2.022) 17.227 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -3.558 16.493 1.215) 16.916 1.783 ( 0.565 13.956 2.624) 14.212 2.194 ( 4.819 2.012 0.411) 5.238 2.369 ( 4.904 5.824 -7.967) 11.020 2.641 ( -2.187 -5.803 -2.022) 6.523 2.848 ( 5.796 -2.527 -3.093) 7.039 2.923 ( -1.867 6.674 -6.770) 9.688 3.109 ( -2.670 -3.615 -2.615) 5.200 3.225 ( 3.890 7.802 6.563) 10.912 3.316 ( 2.344 -3.435 0.433) 4.181 3.390 ( 0.648 -6.727 -0.576) 6.783 3.773 ( 2.269 -11.995 0.940) 12.244 4.624 ( 5.545 1.148 11.017) 12.386 4.667 ( 0.481 -1.571 14.948) 15.038 4.979 ( 2.747 10.042 -2.781) 10.776 5.267 ( -2.911 2.645 5.054) 6.404 5.390 ( 1.385 6.444 2.403) 7.015 5.500 ( -1.802 0.883 3.579) 4.104 5.970 ( 5.251 -4.032 -2.872) 7.216 6.017 ( 4.936 -7.230 -6.221) 10.740 6.578 ( -1.452 -2.775 0.937) 3.269 6.775 ( -5.203 -10.003 -3.394) 11.775 7.219 ( 5.842 -0.192 -6.996) 9.116 7.305 ( 0.710 -4.561 -4.006) 6.112 7.715 ( 5.783 2.811 -0.793) 6.479 7.834 ( 2.034 -0.486 1.361) 2.495 7.887 ( 2.604 -2.668 -5.523) 6.664 8.035 ( 3.039 -7.379 0.338) 7.987 8.199 ( -12.051 -0.580 3.278) 12.503 8.267 ( -4.249 -6.073 1.647) 7.593 9.056 ( -2.347 1.977 10.706) 11.137 9.160 ( -6.465 -2.883 8.846) 11.330 9.756 ( 3.979 3.679 -3.022) 6.205 9.854 ( 1.503 -0.762 -6.908) 7.111 10.154 ( -0.320 2.678 -2.739) 3.844 10.254 ( -0.635 0.442 -3.689) 3.769 10.787 ( -4.873 5.816 0.764) 7.626 10.902 ( -3.293 2.175 1.149) 4.110 11.086 ( -0.433 5.356 -0.776) 5.429 11.239 ( -2.030 0.183 -3.037) 3.657 11.827 ( 4.707 1.161 4.428) 6.566 11.871 ( 5.856 -4.319 -0.965) 7.340 12.104 ( 0.036 1.579 0.423) 1.635 12.400 ( -4.609 -8.496 1.892) 9.849 13.161 ( 0.133 11.104 -0.934) 11.144 13.395 ( -1.973 1.552 -3.268) 4.121 13.620 ( 8.261 1.843 3.585) 9.192 13.680 ( 0.394 -0.056 3.826) 3.847 14.611 ( -11.309 8.967 3.090) 14.759 14.972 ( -5.381 -3.233 -4.746) 7.869 15.393 ( -4.679 3.098 5.037) 7.541 15.631 ( -3.621 -5.657 3.983) 7.809 15.932 ( 2.041 -2.862 -4.633) 5.816 16.109 ( -1.672 -6.551 -7.921) 10.414 16.545 ( -5.587 3.828 -3.236) 7.506 16.696 ( -7.004 -3.772 -8.649) 11.750 17.462 ( 4.738 8.967 4.782) 11.213 17.741 ( 3.818 0.323 1.979) 4.313 18.603 ( 5.497 12.201 8.656) 15.938 19.196 ( 4.279 -12.246 -4.707) 13.799 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 4.962 -3.482 -0.180) 6.065 1.993 ( 4.962 3.483 -0.180) 6.065 2.382 ( 1.656 -5.091 4.094) 6.740 2.382 ( 1.656 5.091 4.094) 6.740 2.562 ( -0.944 -11.052 -10.058) 14.974 2.562 ( -0.944 11.052 -10.058) 14.974 3.004 ( -3.069 -4.049 -4.289) 6.649 3.004 ( -3.069 4.049 -4.289) 6.649 3.248 ( 0.654 -3.930 3.918) 5.588 3.248 ( 0.654 3.931 3.918) 5.588 3.590 ( 0.563 -8.108 1.154) 8.209 3.590 ( 0.563 8.108 1.154) 8.209 4.863 ( 3.583 -1.356 11.929) 12.529 4.863 ( 3.583 1.356 11.929) 12.529 5.176 ( -3.839 -5.754 1.994) 7.199 5.176 ( -3.839 5.754 1.994) 7.199 5.573 ( -0.353 -2.188 5.404) 5.841 5.573 ( -0.353 2.188 5.404) 5.841 5.905 ( 1.207 -0.790 -7.382) 7.522 5.905 ( 1.207 0.790 -7.382) 7.521 6.509 ( -1.729 -3.165 -2.255) 4.253 6.509 ( -1.729 3.165 -2.255) 4.253 7.195 ( 0.480 -1.314 -5.978) 6.140 7.195 ( 0.480 1.314 -5.979) 6.140 7.808 ( -0.767 -1.255 -0.494) 1.552 7.808 ( -0.767 1.255 -0.494) 1.552 7.996 ( -2.162 -2.234 2.324) 3.881 7.996 ( -2.162 2.234 2.324) 3.881 8.081 ( 3.417 -3.738 -1.377) 5.248 8.081 ( 3.417 3.738 -1.377) 5.248 9.188 ( -1.240 -1.967 12.973) 13.180 9.188 ( -1.240 1.967 12.973) 13.180 9.774 ( 2.153 -1.228 -9.345) 9.668 9.774 ( 2.153 1.228 -9.345) 9.668 10.186 ( 0.429 -2.264 -2.398) 3.326 10.186 ( 0.430 2.264 -2.398) 3.326 10.872 ( -0.540 -2.909 2.199) 3.686 10.872 ( -0.540 2.909 2.199) 3.686 11.148 ( -0.786 -2.076 -2.340) 3.225 11.148 ( -0.786 2.076 -2.340) 3.225 11.973 ( 4.018 -2.174 4.184) 6.195 11.973 ( 4.018 2.174 4.184) 6.195 12.138 ( -3.407 -5.322 -1.730) 6.552 12.138 ( -3.407 5.323 -1.730) 6.552 13.305 ( -0.827 -3.301 -1.937) 3.916 13.305 ( -0.827 3.302 -1.937) 3.916 13.753 ( -0.315 -1.168 4.269) 4.437 13.753 ( -0.315 1.168 4.269) 4.437 14.741 ( 0.244 -9.099 -0.965) 9.153 14.741 ( 0.244 9.099 -0.965) 9.153 15.512 ( -1.980 -3.896 6.958) 8.217 15.512 ( -1.980 3.896 6.958) 8.217 15.882 ( 1.354 -3.081 -8.802) 9.423 15.882 ( 1.354 3.082 -8.802) 9.423 16.488 ( -1.715 -4.156 -4.668) 6.480 16.488 ( -1.715 4.156 -4.668) 6.480 17.781 ( 3.066 -5.496 4.602) 7.797 17.781 ( 3.066 5.496 4.602) 7.797 18.935 ( -0.898 -10.379 -0.533) 10.432 18.935 ( -0.898 10.379 -0.533) 10.432 ======================= Grid point 244 (131/170) ======================= q-point: ( 0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 5.941 -3.282 -3.987) 7.872 2.070 ( 5.941 3.283 -3.987) 7.872 2.337 ( -6.400 -5.310 -2.290) 8.625 2.337 ( -6.400 5.310 -2.290) 8.626 2.532 ( 3.222 -7.857 -2.297) 8.797 2.532 ( 3.222 7.857 -2.297) 8.797 2.892 ( -6.157 -2.370 0.776) 6.643 2.892 ( -6.157 2.370 0.776) 6.643 3.307 ( 0.805 -3.999 2.447) 4.757 3.307 ( 0.805 3.999 2.447) 4.757 3.581 ( -1.307 -2.188 -0.428) 2.585 3.581 ( -1.307 2.188 -0.428) 2.585 4.962 ( -1.877 -4.064 -0.180) 4.480 4.962 ( -1.877 4.064 -0.180) 4.480 5.157 ( -2.862 -3.401 7.160) 8.428 5.157 ( -2.862 3.402 7.160) 8.428 5.605 ( -3.812 -5.882 5.897) 9.160 5.605 ( -3.812 5.882 5.897) 9.160 5.808 ( -1.979 -1.524 -7.299) 7.715 5.808 ( -1.979 1.524 -7.299) 7.715 6.529 ( 5.595 -4.505 0.285) 7.189 6.529 ( 5.595 4.505 0.285) 7.189 7.126 ( -2.563 -3.513 -2.835) 5.191 7.126 ( -2.563 3.513 -2.835) 5.191 7.769 ( -3.848 -1.746 0.583) 4.265 7.769 ( -3.848 1.746 0.583) 4.265 7.884 ( -5.390 -2.821 -0.694) 6.123 7.884 ( -5.390 2.821 -0.694) 6.123 8.276 ( 13.911 -3.447 0.056) 14.331 8.276 ( 13.911 3.447 0.056) 14.332 9.292 ( -3.102 -2.302 9.433) 10.193 9.292 ( -3.102 2.302 9.433) 10.193 9.711 ( 3.735 -1.804 -9.258) 10.145 9.711 ( 3.735 1.804 -9.258) 10.145 10.182 ( 1.653 -1.516 -1.296) 2.590 10.182 ( 1.653 1.516 -1.296) 2.591 10.897 ( 0.878 -1.841 1.185) 2.358 10.897 ( 0.878 1.841 1.185) 2.358 11.136 ( 1.462 -1.226 -0.161) 1.914 11.136 ( 1.462 1.226 -0.161) 1.914 11.926 ( -8.954 -6.682 -1.003) 11.218 11.926 ( -8.954 6.683 -1.003) 11.218 12.185 ( 5.993 -7.579 1.682) 9.808 12.185 ( 5.993 7.579 1.682) 9.808 13.296 ( 1.338 -0.392 -0.139) 1.401 13.296 ( 1.338 0.392 -0.139) 1.402 13.736 ( -5.766 -2.786 2.319) 6.811 13.736 ( -5.766 2.786 2.319) 6.811 14.791 ( 6.134 -5.813 -1.043) 8.515 14.791 ( 6.134 5.813 -1.043) 8.515 15.573 ( 0.413 -5.007 5.091) 7.152 15.573 ( 0.413 5.007 5.091) 7.152 15.846 ( 5.149 -6.880 -5.248) 10.069 15.846 ( 5.149 6.880 -5.248) 10.069 16.471 ( 3.643 -5.472 -1.116) 6.668 16.471 ( 3.643 5.472 -1.116) 6.668 17.835 ( 0.221 -1.739 -0.235) 1.768 17.835 ( 0.221 1.739 -0.234) 1.769 18.872 ( -6.401 -4.162 0.560) 7.656 18.872 ( -6.401 4.162 0.560) 7.656 ======================= Grid point 246 (132/170) ======================= q-point: ( 0.18 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 1.133 -3.703 -8.089) 8.968 2.060 ( 1.133 3.703 -8.089) 8.968 2.213 ( -6.856 -5.808 -0.305) 8.991 2.213 ( -6.856 5.808 -0.305) 8.991 2.533 ( 0.548 -5.184 -0.705) 5.260 2.533 ( 0.548 5.184 -0.705) 5.260 2.861 ( -3.292 -6.660 6.396) 9.803 2.861 ( -3.291 6.660 6.396) 9.803 3.306 ( -0.784 -1.500 -2.377) 2.918 3.306 ( -0.784 1.500 -2.377) 2.918 3.546 ( -2.834 -5.058 -0.118) 5.799 3.546 ( -2.834 5.058 -0.118) 5.799 4.861 ( -5.095 -5.247 -3.402) 8.067 4.861 ( -5.095 5.248 -3.402) 8.067 5.192 ( -0.527 -6.649 1.766) 6.899 5.192 ( -0.527 6.649 1.766) 6.899 5.543 ( -6.903 -3.838 -1.442) 8.029 5.543 ( -6.903 3.838 -1.442) 8.029 5.727 ( -3.155 -4.738 1.162) 5.810 5.727 ( -3.155 4.738 1.162) 5.810 6.668 ( 8.124 -6.865 1.304) 10.716 6.668 ( 8.124 6.865 1.304) 10.716 7.069 ( -2.554 -5.460 2.519) 6.533 7.069 ( -2.554 5.460 2.519) 6.533 7.710 ( -3.752 -3.137 0.735) 4.946 7.710 ( -3.752 3.137 0.735) 4.946 7.820 ( -1.412 -3.739 -1.748) 4.362 7.820 ( -1.412 3.739 -1.748) 4.362 8.490 ( 11.427 -0.742 -1.481) 11.546 8.490 ( 11.427 0.742 -1.481) 11.546 9.303 ( -1.409 -0.951 2.639) 3.139 9.303 ( -1.409 0.951 2.639) 3.139 9.690 ( 1.604 -1.207 -3.852) 4.344 9.690 ( 1.604 1.208 -3.852) 4.344 10.202 ( 2.015 -2.365 -1.060) 3.283 10.202 ( 2.015 2.365 -1.060) 3.283 10.945 ( 3.680 -1.356 1.838) 4.331 10.945 ( 3.680 1.356 1.838) 4.331 11.183 ( 2.833 -2.475 1.100) 3.919 11.183 ( 2.833 2.475 1.100) 3.919 11.751 ( -9.000 -3.777 -2.126) 9.989 11.751 ( -9.000 3.777 -2.126) 9.989 12.279 ( 3.100 -9.776 0.888) 10.295 12.279 ( 3.100 9.777 0.888) 10.295 13.332 ( 1.755 -3.888 0.429) 4.288 13.332 ( 1.755 3.888 0.429) 4.288 13.640 ( -6.719 -4.266 0.701) 7.990 13.640 ( -6.719 4.266 0.701) 7.990 14.897 ( 7.278 -4.215 -0.289) 8.415 14.897 ( 7.278 4.215 -0.289) 8.415 15.616 ( -1.494 -8.587 3.981) 9.582 15.616 ( -1.494 8.587 3.981) 9.582 15.964 ( 13.623 -11.551 -1.948) 17.967 15.964 ( 13.623 11.551 -1.948) 17.967 16.577 ( 7.603 -4.395 2.617) 9.164 16.577 ( 7.603 4.395 2.617) 9.164 17.779 ( -2.813 -5.415 -5.932) 8.510 17.779 ( -2.813 5.416 -5.932) 8.510 18.742 ( -10.747 -4.139 1.982) 11.686 18.742 ( -10.747 4.139 1.982) 11.686 ======================= Grid point 248 (133/170) ======================= q-point: ( 0.27 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.014 -3.558 -3.000) 4.654 1.996 ( 0.014 3.558 -3.000) 4.654 2.081 ( -7.490 -5.289 -0.545) 9.185 2.081 ( -7.490 5.290 -0.545) 9.185 2.557 ( 0.096 -5.250 2.214) 5.698 2.557 ( 0.096 5.250 2.214) 5.698 2.876 ( -3.485 -4.049 5.245) 7.487 2.876 ( -3.485 4.050 5.245) 7.487 3.251 ( -1.677 -1.243 -2.880) 3.557 3.251 ( -1.677 1.243 -2.880) 3.557 3.488 ( -2.574 -6.843 -0.627) 7.338 3.488 ( -2.574 6.843 -0.627) 7.338 4.758 ( -1.511 -4.425 -4.571) 6.539 4.758 ( -1.511 4.426 -4.571) 6.539 5.176 ( -0.800 -10.277 -2.222) 10.545 5.176 ( -0.800 10.277 -2.222) 10.545 5.386 ( -6.911 -2.616 -4.602) 8.705 5.386 ( -6.911 2.616 -4.602) 8.705 5.679 ( -5.866 -3.341 2.117) 7.075 5.679 ( -5.866 3.341 2.117) 7.075 6.768 ( 3.192 -9.166 -0.389) 9.714 6.768 ( 3.192 9.166 -0.389) 9.714 7.137 ( 3.749 -4.739 6.496) 8.872 7.137 ( 3.749 4.739 6.496) 8.872 7.661 ( -3.043 -4.599 0.793) 5.572 7.661 ( -3.043 4.599 0.793) 5.572 7.781 ( -0.715 -3.094 -2.287) 3.913 7.781 ( -0.715 3.095 -2.287) 3.914 8.578 ( 4.323 -3.822 -6.494) 8.687 8.578 ( 4.323 3.823 -6.494) 8.687 9.376 ( 6.033 -5.139 2.602) 8.342 9.376 ( 6.033 5.139 2.602) 8.342 9.659 ( -1.572 -2.679 -0.113) 3.109 9.659 ( -1.572 2.679 -0.113) 3.109 10.230 ( 2.010 -4.695 0.735) 5.160 10.230 ( 2.010 4.695 0.735) 5.160 11.066 ( 6.403 -0.732 4.103) 7.640 11.066 ( 6.403 0.733 4.103) 7.640 11.225 ( 1.559 -1.769 -1.415) 2.750 11.225 ( 1.559 1.770 -1.416) 2.751 11.593 ( -7.363 -1.304 -1.524) 7.632 11.593 ( -7.363 1.304 -1.524) 7.632 12.314 ( 0.761 -9.303 0.335) 9.341 12.314 ( 0.761 9.304 0.335) 9.341 13.323 ( -2.200 -4.712 -2.011) 5.576 13.323 ( -2.200 4.712 -2.011) 5.576 13.569 ( -2.435 -5.635 0.947) 6.211 13.569 ( -2.435 5.635 0.947) 6.211 15.031 ( 7.128 -7.090 3.052) 10.507 15.031 ( 7.128 7.090 3.052) 10.507 15.625 ( -2.992 -8.047 4.851) 9.861 15.625 ( -2.992 8.048 4.851) 9.861 16.219 ( 18.862 -9.208 -2.858) 21.183 16.219 ( 18.862 9.208 -2.858) 21.183 16.767 ( 8.970 -1.859 5.897) 10.894 16.767 ( 8.970 1.859 5.897) 10.894 17.616 ( -5.350 -10.798 -10.282) 15.841 17.616 ( -5.349 10.798 -10.282) 15.841 18.564 ( -13.334 -11.281 2.233) 17.609 18.564 ( -13.334 11.281 2.233) 17.609 ======================= Grid point 250 (134/170) ======================= q-point: ( 0.36 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -9.568 -5.116 -4.697) 11.823 1.858 ( -9.568 5.116 -4.697) 11.823 2.122 ( 5.609 -3.632 7.787) 10.261 2.122 ( 5.609 3.632 7.787) 10.261 2.560 ( -1.848 -9.680 1.736) 10.006 2.560 ( -1.847 9.680 1.736) 10.007 2.866 ( -3.413 -5.597 3.412) 7.391 2.866 ( -3.413 5.597 3.412) 7.391 3.208 ( -0.200 -1.884 -0.732) 2.031 3.208 ( -0.200 1.885 -0.732) 2.031 3.470 ( -0.638 -4.456 1.906) 4.888 3.470 ( -0.638 4.456 1.906) 4.888 4.703 ( 2.209 -3.204 -6.825) 7.857 4.703 ( 2.209 3.205 -6.825) 7.857 5.115 ( -1.457 -8.609 -6.376) 10.812 5.115 ( -1.457 8.610 -6.376) 10.812 5.223 ( -6.100 -4.948 -4.109) 8.865 5.223 ( -6.100 4.948 -4.109) 8.865 5.586 ( -6.394 -1.582 0.726) 6.626 5.586 ( -6.394 1.582 0.726) 6.626 6.801 ( 1.367 -9.069 0.524) 9.187 6.801 ( 1.367 9.069 0.524) 9.187 7.257 ( 2.579 -2.246 2.152) 4.041 7.257 ( 2.579 2.246 2.152) 4.041 7.644 ( -0.446 -4.545 2.081) 5.019 7.644 ( -0.447 4.545 2.082) 5.019 7.745 ( -1.272 -1.319 -0.598) 1.927 7.745 ( -1.272 1.319 -0.598) 1.928 8.521 ( 0.714 -6.748 -9.300) 11.512 8.521 ( 0.714 6.748 -9.300) 11.512 9.425 ( 0.666 -3.208 -5.932) 6.777 9.425 ( 0.666 3.208 -5.932) 6.777 9.751 ( 5.825 -2.892 11.204) 12.954 9.751 ( 5.825 2.892 11.203) 12.954 10.295 ( 2.306 -6.342 4.399) 8.055 10.295 ( 2.306 6.342 4.399) 8.055 11.181 ( -1.972 -1.734 -5.647) 6.227 11.181 ( -1.972 1.734 -5.646) 6.227 11.229 ( 6.645 -1.170 4.251) 7.975 11.229 ( 6.645 1.170 4.251) 7.975 11.476 ( -5.329 -0.362 -0.605) 5.375 11.476 ( -5.329 0.362 -0.605) 5.375 12.328 ( 0.202 -7.583 1.150) 7.672 12.328 ( 0.202 7.584 1.150) 7.673 13.246 ( -2.523 -3.915 -3.021) 5.552 13.246 ( -2.523 3.915 -3.021) 5.552 13.556 ( -0.765 -5.746 0.301) 5.804 13.556 ( -0.765 5.746 0.301) 5.804 15.196 ( 5.441 -9.096 6.587) 12.480 15.196 ( 5.441 9.096 6.587) 12.480 15.642 ( -2.034 -6.015 6.568) 9.135 15.642 ( -2.034 6.015 6.568) 9.135 16.469 ( 15.231 -4.729 -6.142) 17.090 16.469 ( 15.231 4.729 -6.142) 17.090 16.996 ( 8.477 -7.380 7.706) 13.628 16.996 ( 8.477 7.380 7.706) 13.628 17.399 ( -4.058 -14.088 -11.291) 18.505 17.399 ( -4.058 14.088 -11.291) 18.505 18.354 ( -13.739 -16.043 0.737) 21.135 18.354 ( -13.739 16.044 0.737) 21.135 ======================= Grid point 252 (135/170) ======================= q-point: ( 0.45 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -4.631 -2.401 -5.807) 7.806 1.664 ( -4.631 2.401 -5.807) 7.806 2.312 ( 2.746 -2.408 8.140) 8.922 2.312 ( 2.746 2.408 8.140) 8.922 2.598 ( 3.867 -8.401 5.234) 10.627 2.598 ( 3.867 8.401 5.234) 10.627 2.841 ( -2.590 -3.469 1.424) 4.557 2.841 ( -2.590 3.469 1.424) 4.557 3.218 ( 1.090 -2.626 -0.726) 2.934 3.218 ( 1.090 2.626 -0.726) 2.935 3.505 ( -0.897 -0.625 6.990) 7.075 3.505 ( -0.897 0.625 6.990) 7.075 4.655 ( 3.799 -2.972 -12.295) 13.207 4.655 ( 3.799 2.973 -12.295) 13.207 4.958 ( -4.659 -5.910 -9.139) 11.839 4.958 ( -4.659 5.910 -9.140) 11.839 5.135 ( -1.508 -4.729 -1.085) 5.081 5.135 ( -1.508 4.729 -1.085) 5.081 5.511 ( -2.998 -0.740 0.679) 3.162 5.511 ( -2.998 0.740 0.679) 3.162 6.835 ( 1.098 -7.144 1.861) 7.464 6.835 ( 1.098 7.144 1.861) 7.464 7.254 ( -2.470 -2.514 -1.529) 3.842 7.254 ( -2.470 2.514 -1.529) 3.842 7.655 ( -1.206 -3.811 -0.283) 4.008 7.655 ( -1.206 3.811 -0.284) 4.008 7.768 ( 2.094 -6.162 4.799) 8.086 7.768 ( 2.094 6.162 4.799) 8.086 8.416 ( 0.603 -7.971 -10.597) 13.274 8.416 ( 0.604 7.971 -10.597) 13.274 9.351 ( -1.225 -0.755 -4.486) 4.711 9.351 ( -1.225 0.755 -4.486) 4.711 9.994 ( 5.780 -1.049 11.199) 12.646 9.994 ( 5.780 1.049 11.199) 12.646 10.396 ( 1.741 -5.194 7.092) 8.961 10.396 ( 1.741 5.194 7.092) 8.961 11.046 ( -3.010 -2.510 -9.395) 10.179 11.046 ( -3.010 2.510 -9.395) 10.179 11.352 ( -2.405 -4.035 4.752) 6.682 11.352 ( -2.405 4.035 4.752) 6.682 11.411 ( 2.780 -1.959 -1.575) 3.748 11.411 ( 2.781 1.959 -1.575) 3.748 12.350 ( 0.100 -5.130 2.044) 5.523 12.350 ( 0.100 5.131 2.044) 5.524 13.187 ( -0.347 -3.417 -3.185) 4.684 13.187 ( -0.347 3.417 -3.185) 4.684 13.543 ( -0.992 -4.348 0.132) 4.461 13.543 ( -0.992 4.348 0.132) 4.461 15.330 ( 1.012 -6.484 6.672) 9.358 15.330 ( 1.012 6.484 6.672) 9.358 15.731 ( 1.261 -3.780 10.769) 11.483 15.731 ( 1.261 3.781 10.769) 11.483 16.524 ( 1.561 -11.339 -10.284) 15.387 16.524 ( 1.561 11.339 -10.284) 15.388 17.074 ( -4.722 -3.667 -1.206) 6.099 17.074 ( -4.722 3.667 -1.207) 6.099 17.410 ( 15.056 -20.380 -0.803) 25.351 17.410 ( 15.056 20.380 -0.803) 25.351 18.138 ( -11.068 -16.073 -1.139) 19.548 18.138 ( -11.068 16.073 -1.139) 19.548 ======================= Grid point 254 (136/170) ======================= q-point: (-0.45 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 8.651 -3.423 -4.399) 10.292 1.633 ( 8.651 3.423 -4.399) 10.292 2.387 ( -0.145 -1.813 4.432) 4.791 2.387 ( -0.145 1.814 4.432) 4.791 2.739 ( 0.661 -1.721 3.582) 4.028 2.739 ( 0.661 1.722 3.581) 4.028 2.827 ( 0.884 -2.547 1.424) 3.049 2.827 ( 0.884 2.547 1.424) 3.049 3.201 ( -0.372 -0.367 -2.733) 2.783 3.201 ( -0.372 0.368 -2.733) 2.783 3.598 ( -1.337 -2.767 11.154) 11.570 3.598 ( -1.337 2.767 11.154) 11.570 4.511 ( 1.000 -1.436 -18.645) 18.727 4.511 ( 0.999 1.437 -18.645) 18.727 4.861 ( 1.060 -2.602 -1.439) 3.157 4.861 ( 1.060 2.602 -1.439) 3.157 5.125 ( 1.385 -2.518 -0.741) 2.967 5.125 ( 1.385 2.518 -0.741) 2.968 5.512 ( 2.285 -1.715 0.794) 2.965 5.512 ( 2.285 1.716 0.794) 2.966 6.871 ( 0.234 -3.975 1.605) 4.294 6.871 ( 0.234 3.975 1.605) 4.294 7.178 ( -4.581 -3.429 0.097) 5.723 7.178 ( -4.581 3.429 0.097) 5.723 7.620 ( -1.908 -2.596 -0.062) 3.223 7.620 ( -1.908 2.596 -0.062) 3.223 7.881 ( 3.928 -6.364 5.142) 9.076 7.881 ( 3.928 6.364 5.142) 9.076 8.314 ( 1.418 -7.331 -10.297) 12.719 8.314 ( 1.418 7.331 -10.297) 12.719 9.291 ( -1.974 -1.264 -1.567) 2.819 9.291 ( -1.974 1.264 -1.567) 2.819 10.142 ( -0.197 -0.973 4.993) 5.090 10.142 ( -0.197 0.973 4.993) 5.090 10.506 ( 0.264 -1.951 8.681) 8.901 10.506 ( 0.264 1.951 8.681) 8.901 10.901 ( -0.674 -0.903 -9.159) 9.228 10.901 ( -0.674 0.903 -9.159) 9.229 11.294 ( -5.573 -4.067 2.712) 7.413 11.294 ( -5.573 4.067 2.712) 7.413 11.496 ( 5.421 -3.702 -0.789) 6.612 11.496 ( 5.421 3.702 -0.789) 6.612 12.368 ( -0.850 -1.664 1.715) 2.536 12.368 ( -0.850 1.664 1.715) 2.536 13.162 ( 1.466 -1.203 -2.874) 3.443 13.162 ( 1.466 1.203 -2.874) 3.443 13.530 ( -1.085 -0.700 0.737) 1.487 13.530 ( -1.085 0.701 0.737) 1.487 15.388 ( -1.189 -3.068 5.060) 6.036 15.388 ( -1.189 3.068 5.060) 6.036 15.883 ( -1.966 -6.354 12.296) 13.979 15.883 ( -1.966 6.354 12.296) 13.979 16.336 ( -6.134 -12.097 -10.367) 17.071 16.336 ( -6.134 12.097 -10.367) 17.071 16.975 ( -5.719 -6.344 0.077) 8.541 16.975 ( -5.719 6.344 0.077) 8.542 17.625 ( 9.187 -9.226 -6.694) 14.640 17.625 ( 9.187 9.226 -6.694) 14.640 18.037 ( 2.414 -8.371 2.549) 9.078 18.037 ( 2.414 8.371 2.549) 9.078 ======================= Grid point 256 (137/170) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 17.902 -8.221 -3.033) 19.931 1.829 ( 17.902 8.221 -3.033) 19.931 2.438 ( 1.602 -4.351 1.628) 4.915 2.438 ( 1.602 4.351 1.628) 4.915 2.639 ( -8.115 -6.783 -4.899) 11.656 2.639 ( -8.115 6.783 -4.899) 11.656 2.892 ( 2.916 -6.258 1.402) 7.045 2.892 ( 2.916 6.258 1.402) 7.045 3.180 ( -0.252 -2.611 0.494) 2.670 3.180 ( -0.252 2.612 0.494) 2.670 3.652 ( -4.221 -4.902 4.622) 7.951 3.652 ( -4.221 4.902 4.622) 7.951 4.360 ( 1.086 -1.255 -8.674) 8.832 4.360 ( 1.086 1.256 -8.674) 8.832 4.931 ( 6.186 -6.789 1.921) 9.383 4.931 ( 6.187 6.789 1.921) 9.383 5.163 ( 3.791 -7.720 -0.113) 8.601 5.163 ( 3.791 7.720 -0.113) 8.601 5.600 ( 7.062 -4.162 0.431) 8.209 5.600 ( 7.062 4.162 0.431) 8.209 6.855 ( -2.636 -5.616 -1.118) 6.304 6.855 ( -2.636 5.616 -1.118) 6.304 7.134 ( -3.279 -1.829 4.210) 5.641 7.134 ( -3.279 1.829 4.210) 5.641 7.607 ( 0.198 -4.976 0.703) 5.029 7.607 ( 0.198 4.976 0.703) 5.029 7.999 ( 3.938 -5.906 2.879) 7.660 7.999 ( 3.938 5.906 2.878) 7.660 8.233 ( 0.904 -4.795 -6.914) 8.463 8.233 ( 0.904 4.796 -6.914) 8.463 9.245 ( -3.295 -2.534 1.057) 4.289 9.245 ( -3.295 2.534 1.057) 4.289 10.096 ( -5.971 -2.292 -2.510) 6.870 10.096 ( -5.971 2.292 -2.510) 6.870 10.540 ( -4.085 -2.896 0.809) 5.073 10.540 ( -4.085 2.896 0.809) 5.073 10.870 ( 3.529 -3.261 0.396) 4.821 10.870 ( 3.529 3.261 0.396) 4.822 11.253 ( -3.798 -3.536 3.636) 6.336 11.253 ( -3.798 3.536 3.636) 6.336 11.560 ( 4.951 -5.062 -2.807) 7.617 11.560 ( 4.951 5.062 -2.807) 7.617 12.353 ( -2.378 -2.759 0.624) 3.695 12.353 ( -2.378 2.759 0.624) 3.696 13.176 ( 3.186 -1.765 -1.227) 3.843 13.176 ( 3.186 1.765 -1.227) 3.843 13.525 ( -0.902 -3.720 1.245) 4.025 13.525 ( -0.902 3.720 1.245) 4.025 15.415 ( -1.180 -5.338 2.519) 6.019 15.415 ( -1.180 5.338 2.519) 6.019 15.793 ( -16.248 -8.797 0.458) 18.482 15.793 ( -16.248 8.797 0.458) 18.482 16.242 ( -0.767 -2.453 1.663) 3.061 16.242 ( -0.767 2.454 1.663) 3.061 16.896 ( -6.013 -12.960 4.560) 14.997 16.896 ( -6.013 12.960 4.560) 14.997 17.554 ( 0.083 -7.947 -12.496) 14.809 17.554 ( 0.083 7.947 -12.496) 14.809 18.262 ( 15.014 -19.704 4.366) 25.154 18.262 ( 15.014 19.704 4.366) 25.154 ======================= Grid point 258 (138/170) ======================= q-point: (-0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 11.876 -10.882 -4.349) 16.685 2.065 ( 11.876 10.883 -4.349) 16.685 2.326 ( -6.571 -6.840 -10.371) 14.054 2.326 ( -6.570 6.840 -10.371) 14.054 2.589 ( 4.494 -8.102 2.486) 9.593 2.589 ( 4.494 8.102 2.486) 9.593 2.966 ( 4.112 -7.585 1.460) 8.751 2.966 ( 4.112 7.586 1.460) 8.751 3.196 ( 0.788 -3.258 1.958) 3.882 3.196 ( 0.788 3.258 1.958) 3.882 3.571 ( -4.851 -7.676 -3.630) 9.779 3.571 ( -4.851 7.676 -3.630) 9.779 4.350 ( -0.182 -1.295 4.641) 4.821 4.350 ( -0.182 1.295 4.641) 4.821 5.075 ( 6.883 -7.930 2.351) 10.760 5.075 ( 6.883 7.930 2.351) 10.761 5.246 ( 5.291 -8.310 1.347) 9.943 5.246 ( 5.291 8.310 1.348) 9.943 5.740 ( 9.310 -4.182 -0.687) 10.229 5.740 ( 9.310 4.183 -0.687) 10.230 6.777 ( -4.768 -8.847 -0.607) 10.069 6.777 ( -4.768 8.847 -0.607) 10.069 7.157 ( 0.325 -0.332 3.747) 3.776 7.157 ( 0.325 0.332 3.747) 3.776 7.640 ( 2.133 -5.582 1.396) 6.137 7.640 ( 2.133 5.582 1.396) 6.137 8.025 ( 2.234 -2.205 -8.333) 8.905 8.025 ( 2.234 2.205 -8.333) 8.905 8.220 ( -0.961 -2.368 4.996) 5.612 8.220 ( -0.961 2.368 4.996) 5.612 9.205 ( -5.376 -3.683 4.249) 7.779 9.205 ( -5.376 3.683 4.249) 7.779 9.938 ( -5.247 -3.415 -6.290) 8.874 9.938 ( -5.247 3.415 -6.290) 8.874 10.430 ( -4.576 -4.228 -5.108) 8.057 10.430 ( -4.577 4.228 -5.108) 8.057 10.954 ( -0.376 -5.501 6.016) 8.161 10.954 ( -0.376 5.502 6.016) 8.161 11.234 ( -1.788 -4.433 0.933) 4.870 11.234 ( -1.788 4.433 0.933) 4.870 11.614 ( 5.644 -4.245 -2.559) 7.511 11.614 ( 5.644 4.245 -2.559) 7.512 12.312 ( -3.016 -6.147 0.459) 6.862 12.312 ( -3.016 6.147 0.459) 6.863 13.240 ( 4.758 -2.876 0.628) 5.595 13.240 ( 4.758 2.876 0.628) 5.595 13.530 ( -0.321 -5.998 1.740) 6.253 13.530 ( -0.321 5.998 1.740) 6.253 15.338 ( -7.320 -11.058 -8.706) 15.864 15.338 ( -7.320 11.058 -8.706) 15.864 15.558 ( -13.427 -2.301 9.550) 16.637 15.558 ( -13.427 2.301 9.550) 16.637 16.203 ( -4.163 -4.929 -2.504) 6.920 16.203 ( -4.163 4.929 -2.504) 6.921 16.880 ( -5.549 -15.207 6.752) 17.539 16.880 ( -5.549 15.207 6.752) 17.539 17.442 ( 2.947 -3.398 -8.907) 9.978 17.442 ( 2.947 3.398 -8.907) 9.978 18.552 ( 14.315 -19.972 2.469) 24.696 18.552 ( 14.315 19.972 2.469) 24.696 ======================= Grid point 260 (139/170) ======================= q-point: (-0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -4.518 -6.500 -6.141) 10.018 2.018 ( -4.518 6.500 -6.140) 10.018 2.251 ( 4.010 -12.027 -3.086) 13.048 2.251 ( 4.011 12.027 -3.086) 13.049 2.698 ( 6.417 -6.002 -2.708) 9.195 2.698 ( 6.417 6.002 -2.708) 9.195 3.026 ( 2.404 -5.230 -1.253) 5.892 3.026 ( 2.404 5.231 -1.253) 5.892 3.270 ( 4.446 -3.412 0.589) 5.635 3.270 ( 4.446 3.412 0.590) 5.635 3.457 ( -3.284 -11.779 -0.765) 12.252 3.457 ( -3.284 11.779 -0.765) 12.252 4.452 ( 0.774 -1.568 12.406) 12.528 4.452 ( 0.774 1.568 12.406) 12.528 5.176 ( 3.542 -9.258 -0.236) 9.915 5.176 ( 3.542 9.258 -0.236) 9.915 5.369 ( 5.535 -5.208 3.846) 8.518 5.369 ( 5.535 5.208 3.846) 8.518 5.869 ( 7.804 -2.574 -2.662) 8.638 5.869 ( 7.804 2.575 -2.662) 8.638 6.692 ( -5.267 -8.067 0.187) 9.636 6.692 ( -5.267 8.067 0.187) 9.636 7.213 ( 3.475 -2.061 -0.498) 4.071 7.213 ( 3.475 2.061 -0.498) 4.071 7.705 ( 3.541 -4.576 1.633) 6.012 7.705 ( 3.541 4.576 1.633) 6.012 7.940 ( 1.062 -1.434 -9.114) 9.287 7.940 ( 1.062 1.434 -9.114) 9.287 8.254 ( -4.644 -2.066 6.980) 8.634 8.254 ( -4.644 2.066 6.980) 8.634 9.146 ( -8.583 -3.974 6.062) 11.234 9.146 ( -8.583 3.974 6.062) 11.234 9.835 ( 1.444 -3.667 -5.446) 6.722 9.835 ( 1.444 3.667 -5.446) 6.722 10.302 ( -3.174 -3.932 -5.386) 7.385 10.302 ( -3.174 3.932 -5.386) 7.385 10.953 ( -5.871 -4.524 3.688) 8.279 10.953 ( -5.871 4.524 3.687) 8.279 11.219 ( 0.019 -5.397 -1.272) 5.544 11.219 ( 0.019 5.397 -1.272) 5.545 11.700 ( 6.703 -2.330 -0.336) 7.105 11.700 ( 6.703 2.331 -0.336) 7.105 12.269 ( -3.015 -7.853 0.839) 8.453 12.269 ( -3.015 7.853 0.839) 8.454 13.328 ( 3.749 -4.626 0.492) 5.975 13.328 ( 3.749 4.626 0.492) 5.975 13.563 ( 1.691 -5.060 2.991) 6.116 13.563 ( 1.691 5.060 2.991) 6.117 15.058 ( -12.100 -10.493 -7.065) 17.505 15.058 ( -12.100 10.493 -7.065) 17.505 15.510 ( -8.389 -5.603 10.169) 14.324 15.510 ( -8.389 5.603 10.169) 14.324 16.083 ( -2.480 -7.179 -7.198) 10.464 16.083 ( -2.480 7.179 -7.198) 10.464 16.796 ( -7.567 -8.592 -2.267) 11.671 16.796 ( -7.567 8.592 -2.267) 11.671 17.487 ( 6.132 -6.724 2.318) 9.391 17.487 ( 6.132 6.724 2.318) 9.391 18.778 ( 10.363 -18.026 0.689) 20.804 18.778 ( 10.363 18.026 0.689) 20.804 ======================= Grid point 262 (140/170) ======================= q-point: (-0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.514 -3.291 -0.688) 3.401 1.943 ( 0.514 3.291 -0.688) 3.402 2.298 ( 3.047 -9.870 1.495) 10.437 2.298 ( 3.047 9.870 1.495) 10.437 2.690 ( 1.270 -9.050 -9.925) 13.491 2.690 ( 1.270 9.050 -9.925) 13.491 3.047 ( 1.575 -3.667 -1.193) 4.166 3.047 ( 1.575 3.667 -1.194) 4.166 3.248 ( -1.394 -2.613 -3.416) 4.521 3.248 ( -1.394 2.613 -3.416) 4.521 3.519 ( 3.067 -12.100 5.544) 13.658 3.519 ( 3.067 12.100 5.544) 13.658 4.645 ( 2.996 -0.858 15.251) 15.566 4.645 ( 2.996 0.859 15.251) 15.566 5.200 ( 0.176 -8.826 -0.520) 8.843 5.200 ( 0.176 8.826 -0.520) 8.843 5.493 ( 3.105 -2.734 4.712) 6.271 5.493 ( 3.105 2.734 4.712) 6.271 5.928 ( 4.446 -1.329 -5.069) 6.872 5.928 ( 4.446 1.329 -5.069) 6.872 6.599 ( -5.217 -5.390 -1.379) 7.627 6.599 ( -5.217 5.390 -1.379) 7.627 7.235 ( 2.946 -2.040 -5.587) 6.637 7.235 ( 2.946 2.040 -5.587) 6.637 7.790 ( 4.232 -3.796 0.171) 5.688 7.790 ( 4.232 3.796 0.171) 5.688 7.900 ( 3.856 -3.989 -2.683) 6.163 7.900 ( 3.856 3.989 -2.683) 6.163 8.197 ( -9.366 -1.014 3.484) 10.045 8.197 ( -9.367 1.014 3.484) 10.045 9.104 ( -5.224 -2.456 9.394) 11.026 9.104 ( -5.224 2.456 9.394) 11.026 9.823 ( 2.927 -2.423 -5.991) 7.095 9.823 ( 2.927 2.423 -5.991) 7.095 10.218 ( -0.696 -3.039 -3.511) 4.696 10.218 ( -0.696 3.039 -3.511) 4.696 10.888 ( -4.351 -3.166 1.813) 5.678 10.888 ( -4.351 3.166 1.813) 5.678 11.192 ( -0.929 -4.166 -2.219) 4.811 11.192 ( -0.929 4.167 -2.219) 4.811 11.828 ( 7.211 -0.242 2.251) 7.558 11.828 ( 7.211 0.242 2.251) 7.558 12.220 ( -4.019 -8.016 0.167) 8.968 12.220 ( -4.019 8.016 0.167) 8.969 13.345 ( -0.427 -5.879 -1.803) 6.164 13.345 ( -0.427 5.879 -1.803) 6.164 13.662 ( 3.938 -1.678 4.788) 6.423 13.662 ( 3.938 1.678 4.788) 6.423 14.827 ( -7.947 -9.984 -3.038) 13.117 14.827 ( -7.947 9.984 -3.038) 13.117 15.492 ( -6.001 -6.465 8.455) 12.219 15.492 ( -6.001 6.465 8.455) 12.219 15.972 ( 0.164 -5.508 -9.114) 10.650 15.972 ( 0.164 5.508 -9.114) 10.650 16.621 ( -6.102 -3.468 -6.298) 9.430 16.621 ( -6.102 3.468 -6.298) 9.430 17.644 ( 5.331 -7.706 6.481) 11.393 17.644 ( 5.331 7.706 6.481) 11.393 18.907 ( 4.978 -14.910 -0.458) 15.725 18.907 ( 4.978 14.910 -0.458) 15.725 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 22.740 0.000 -22.202) 31.781 1.434 ( -22.740 0.000 22.202) 31.781 1.799 ( 3.969 0.000 -22.857) 23.199 1.799 ( -3.969 0.000 22.857) 23.199 2.519 ( 4.474 0.000 -9.763) 10.740 2.519 ( -4.474 0.000 9.763) 10.740 3.171 ( 3.440 0.000 -6.140) 7.038 3.171 ( -3.440 0.000 6.140) 7.038 3.320 ( -1.350 0.000 -7.728) 7.845 3.320 ( 1.350 0.000 7.728) 7.845 3.963 ( -1.034 0.000 -10.062) 10.115 3.963 ( 1.034 0.000 10.062) 10.115 4.584 ( 2.753 0.000 -2.227) 3.541 4.584 ( -2.753 0.000 2.227) 3.541 5.096 ( 3.155 0.000 -5.065) 5.968 5.096 ( -3.155 0.000 5.065) 5.968 5.442 ( 1.874 0.000 -10.580) 10.744 5.442 ( -1.874 0.000 10.580) 10.744 6.201 ( 7.478 0.000 -6.610) 9.981 6.201 ( -7.478 0.000 6.610) 9.981 6.951 ( 2.070 0.000 -4.958) 5.373 6.951 ( -2.070 0.000 4.958) 5.373 7.330 ( 8.242 0.000 -4.690) 9.483 7.330 ( -8.242 0.000 4.691) 9.483 7.587 ( 0.355 0.000 -4.265) 4.279 7.587 ( -0.355 0.000 4.265) 4.279 8.015 ( -4.478 0.000 -4.013) 6.013 8.015 ( 4.478 0.000 4.014) 6.013 8.659 ( -4.154 0.000 -3.366) 5.347 8.659 ( 4.154 0.000 3.366) 5.347 9.505 ( -2.370 0.000 -3.464) 4.197 9.505 ( 2.370 0.000 3.464) 4.197 9.659 ( -1.904 0.000 -12.298) 12.445 9.659 ( 1.904 0.000 12.298) 12.445 10.004 ( -6.944 0.000 1.018) 7.018 10.004 ( 6.944 0.000 -1.018) 7.018 10.647 ( -1.995 0.000 -8.505) 8.736 10.647 ( 1.994 0.000 8.505) 8.736 10.776 ( -7.933 0.000 -1.732) 8.120 10.776 ( 7.933 0.000 1.732) 8.120 11.998 ( -8.466 0.000 -11.060) 13.928 11.998 ( 8.466 0.000 11.060) 13.928 12.591 ( -0.145 0.000 -9.213) 9.215 12.591 ( 0.145 0.000 9.214) 9.215 12.778 ( 2.488 0.000 -6.470) 6.932 12.778 ( -2.488 0.000 6.470) 6.932 13.685 ( 9.916 0.000 -3.459) 10.502 13.685 ( -9.916 0.000 3.460) 10.503 14.733 ( 13.936 0.000 -19.262) 23.775 14.733 ( -13.936 0.000 19.262) 23.775 15.585 ( -0.941 0.000 -19.188) 19.211 15.585 ( 0.941 0.000 19.188) 19.211 16.070 ( -5.189 0.000 -4.472) 6.850 16.070 ( 5.189 0.000 4.472) 6.850 16.732 ( -3.844 0.000 -2.566) 4.622 16.732 ( 3.844 0.000 2.567) 4.622 16.884 ( 5.462 0.000 -4.729) 7.224 16.884 ( -5.461 0.000 4.729) 7.224 19.216 ( -0.489 0.000 -16.833) 16.840 19.216 ( 0.489 0.000 16.833) 16.840 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -12.756 0.000 22.422) 25.796 1.615 ( 23.830 0.000 -18.676) 30.276 1.634 ( 9.390 0.000 -24.554) 26.288 1.948 ( 0.783 0.000 3.914) 3.991 2.371 ( -16.036 0.000 -1.227) 16.082 2.407 ( 0.964 0.000 -6.030) 6.106 3.121 ( 0.284 0.000 -8.489) 8.493 3.149 ( -6.662 0.000 4.918) 8.280 3.271 ( -0.537 0.000 -1.595) 1.683 3.458 ( 0.928 0.000 9.619) 9.664 3.811 ( -4.601 0.000 -8.856) 9.979 4.076 ( -1.420 0.000 10.721) 10.815 4.608 ( 0.348 0.000 5.995) 6.005 4.632 ( 3.520 0.000 0.817) 3.614 5.086 ( 4.893 0.000 -8.800) 10.069 5.092 ( -0.521 0.000 -0.355) 0.630 5.336 ( 2.370 0.000 -14.446) 14.639 5.527 ( 0.803 0.000 6.250) 6.301 6.144 ( -11.246 0.000 11.308) 15.948 6.208 ( -0.797 0.000 -4.205) 4.280 6.844 ( -13.728 0.000 4.426) 14.424 6.868 ( -4.599 0.000 -0.613) 4.639 7.334 ( -1.728 0.000 8.741) 8.910 7.355 ( 2.829 0.000 -7.671) 8.176 7.691 ( 1.589 0.000 3.410) 3.762 7.730 ( 14.806 0.000 2.460) 15.009 7.941 ( 2.963 0.000 -1.432) 3.291 8.150 ( 6.722 0.000 3.605) 7.628 8.533 ( -5.031 0.000 -5.704) 7.606 8.746 ( 2.531 0.000 1.694) 3.046 9.338 ( -4.735 0.000 -12.465) 13.335 9.524 ( 2.000 0.000 -4.736) 5.141 9.542 ( -0.793 0.000 -4.751) 4.817 9.733 ( -9.482 0.000 3.728) 10.188 9.966 ( -0.091 0.000 8.722) 8.722 10.104 ( 4.882 0.000 0.461) 4.903 10.599 ( 5.381 0.000 -3.769) 6.569 10.609 ( -7.432 0.000 -3.661) 8.285 10.797 ( 4.140 0.000 7.071) 8.194 10.894 ( 6.181 0.000 -1.556) 6.374 11.789 ( -6.389 0.000 -3.093) 7.099 12.259 ( 4.484 0.000 11.835) 12.656 12.471 ( 0.745 0.000 -11.900) 11.923 12.658 ( -1.517 0.000 3.254) 3.591 12.698 ( -2.854 0.000 -7.488) 8.014 12.807 ( -1.559 0.000 8.660) 8.799 13.567 ( -8.344 0.000 3.377) 9.002 13.791 ( 7.195 0.000 -4.296) 8.379 14.776 ( -7.514 0.000 19.960) 21.328 14.805 ( 17.615 0.000 -14.556) 22.851 15.343 ( -3.027 0.000 -15.965) 16.249 15.783 ( -4.446 0.000 21.333) 21.792 15.962 ( -1.688 0.000 -4.636) 4.934 16.192 ( 2.239 0.000 2.284) 3.199 16.651 ( -0.477 0.000 -5.196) 5.218 16.812 ( 4.609 0.000 -3.175) 5.597 16.888 ( -2.992 0.000 9.250) 9.722 16.996 ( 12.560 0.000 0.487) 12.570 18.990 ( -2.084 0.000 -18.876) 18.990 19.375 ( -2.421 0.000 13.758) 13.969 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -5.253 0.000 14.363) 15.294 1.573 ( 10.622 0.000 -15.527) 18.813 1.613 ( 6.527 0.000 -25.301) 26.129 2.052 ( 19.677 0.000 -9.622) 21.903 2.113 ( -12.200 0.000 2.927) 12.547 2.528 ( 3.965 0.000 14.689) 15.214 2.998 ( -2.535 0.000 -9.019) 9.369 3.065 ( -9.093 0.000 3.733) 9.829 3.200 ( -5.572 0.000 -1.941) 5.901 3.513 ( -4.891 0.000 3.562) 6.050 3.613 ( -8.119 0.000 -5.380) 9.739 4.154 ( -3.645 0.000 9.955) 10.601 4.706 ( 4.847 0.000 -1.416) 5.050 4.710 ( 3.141 0.000 4.372) 5.383 5.040 ( 2.100 0.000 -9.970) 10.189 5.083 ( 3.664 0.000 -4.548) 5.841 5.239 ( 6.482 0.000 -13.314) 14.808 5.599 ( 1.674 0.000 1.932) 2.556 6.060 ( -9.163 0.000 -6.245) 11.089 6.063 ( -14.799 0.000 11.611) 18.810 6.709 ( -7.771 0.000 5.689) 9.631 6.835 ( -1.877 0.000 4.022) 4.439 7.324 ( 1.987 0.000 -3.813) 4.299 7.381 ( -5.861 0.000 7.504) 9.521 7.621 ( -6.310 0.000 -1.863) 6.579 7.977 ( 9.021 0.000 2.031) 9.246 8.144 ( 12.578 0.000 7.640) 14.716 8.313 ( 1.434 0.000 -2.535) 2.912 8.393 ( 4.306 0.000 -0.418) 4.326 8.764 ( -1.755 0.000 -0.286) 1.779 9.129 ( -3.714 0.000 -11.281) 11.877 9.405 ( -4.687 0.000 -12.837) 13.666 9.504 ( -0.213 0.000 -0.864) 0.890 9.658 ( 0.812 0.000 4.468) 4.541 10.098 ( 0.695 0.000 9.696) 9.721 10.143 ( 0.511 0.000 -2.823) 2.869 10.496 ( -1.324 0.000 -1.242) 1.816 10.690 ( 7.823 0.000 -3.737) 8.670 10.928 ( 3.841 0.000 4.451) 5.879 10.980 ( 6.071 0.000 1.401) 6.231 11.698 ( -5.195 0.000 2.272) 5.670 12.344 ( -6.656 0.000 7.048) 9.694 12.363 ( 2.393 0.000 -12.450) 12.677 12.534 ( -5.395 0.000 -7.106) 8.922 12.616 ( -4.434 0.000 -0.554) 4.469 12.961 ( 6.505 0.000 8.332) 10.571 13.493 ( -5.367 0.000 4.069) 6.736 13.805 ( 0.863 0.000 -5.242) 5.312 14.928 ( 0.279 0.000 16.903) 16.905 14.959 ( 13.430 0.000 -9.609) 16.514 15.185 ( 6.068 0.000 -10.630) 12.240 15.900 ( -0.343 0.000 -3.667) 3.683 15.934 ( -6.941 0.000 22.243) 23.300 16.159 ( -6.391 0.000 -0.568) 6.417 16.595 ( 1.238 0.000 -5.817) 5.948 16.806 ( -0.828 0.000 -1.888) 2.061 16.980 ( 2.924 0.000 5.230) 5.992 17.308 ( 18.825 0.000 5.254) 19.544 18.739 ( -1.247 0.000 -19.722) 19.762 19.441 ( -5.888 0.000 10.030) 11.631 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 14.796 0.000 -19.668) 24.612 1.509 ( -2.396 0.000 4.127) 4.772 1.649 ( 10.158 0.000 -0.588) 10.175 2.073 ( -2.423 0.000 9.615) 9.915 2.250 ( 8.676 0.000 -2.699) 9.086 2.760 ( 1.764 0.000 10.841) 10.983 2.872 ( -0.900 0.000 -6.356) 6.420 2.968 ( -4.216 0.000 5.518) 6.944 3.069 ( -7.364 0.000 -0.965) 7.427 3.301 ( -13.607 0.000 -6.619) 15.132 3.519 ( -5.330 0.000 3.682) 6.478 4.170 ( -6.081 0.000 7.113) 9.358 4.715 ( 3.241 0.000 -9.650) 10.180 4.737 ( 0.401 0.000 -6.893) 6.904 4.982 ( 2.702 0.000 -6.101) 6.672 5.145 ( 7.938 0.000 -1.935) 8.170 5.256 ( 10.807 0.000 -10.017) 14.735 5.604 ( -2.031 0.000 -1.519) 2.536 5.818 ( -9.119 0.000 -6.018) 10.925 5.914 ( -15.386 0.000 7.742) 17.224 6.720 ( -1.340 0.000 8.737) 8.839 6.873 ( -0.666 0.000 5.331) 5.373 7.268 ( -9.306 0.000 -2.090) 9.537 7.330 ( 0.676 0.000 0.032) 0.677 7.550 ( -5.048 0.000 4.976) 7.088 8.022 ( -8.825 0.000 -0.852) 8.866 8.159 ( 5.179 0.000 -11.843) 12.925 8.424 ( 7.738 0.000 8.611) 11.577 8.682 ( -4.914 0.000 -2.592) 5.556 8.696 ( 14.580 0.000 11.259) 18.421 8.962 ( -3.427 0.000 -7.947) 8.655 9.234 ( -2.207 0.000 -4.048) 4.610 9.496 ( -1.733 0.000 1.088) 2.046 9.784 ( 7.688 0.000 1.623) 7.857 10.096 ( 2.947 0.000 -7.345) 7.914 10.180 ( -1.669 0.000 6.252) 6.471 10.525 ( 1.981 0.000 3.075) 3.658 10.723 ( 3.453 0.000 -6.476) 7.339 11.034 ( 4.617 0.000 2.533) 5.266 11.158 ( 9.097 0.000 6.596) 11.236 11.646 ( -2.824 0.000 0.809) 2.938 12.204 ( -6.070 0.000 -10.547) 12.169 12.248 ( -10.534 0.000 2.946) 10.938 12.454 ( 4.441 0.000 -4.555) 6.362 12.511 ( -5.981 0.000 -2.496) 6.481 13.128 ( 4.448 0.000 2.377) 5.043 13.480 ( -2.341 0.000 4.763) 5.307 13.725 ( -2.554 0.000 -4.763) 5.404 14.953 ( 2.870 0.000 -7.979) 8.480 15.134 ( 4.091 0.000 11.275) 11.994 15.377 ( 20.221 0.000 -3.097) 20.457 15.873 ( 0.969 0.000 -1.108) 1.472 15.970 ( -11.704 0.000 3.333) 12.170 16.083 ( -6.815 0.000 15.913) 17.311 16.567 ( 2.299 0.000 -3.977) 4.594 16.757 ( -2.682 0.000 -1.341) 2.999 17.086 ( 4.688 0.000 2.119) 5.144 17.651 ( 11.893 0.000 5.741) 13.206 18.541 ( 5.186 0.000 -18.351) 19.070 19.405 ( -9.364 0.000 6.274) 11.271 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -1.725 0.000 1.109) 2.051 1.685 ( 21.900 0.000 -4.941) 22.450 1.898 ( 17.923 0.000 1.333) 17.972 2.178 ( -16.127 0.000 0.878) 16.151 2.205 ( 0.762 0.000 14.366) 14.386 2.776 ( -0.067 0.000 -1.056) 1.058 2.807 ( -2.926 0.000 -3.538) 4.591 2.962 ( -16.385 0.000 -3.562) 16.767 2.982 ( -1.212 0.000 1.951) 2.297 3.126 ( 2.370 0.000 6.854) 7.252 3.526 ( 2.139 0.000 6.165) 6.525 4.116 ( -8.172 0.000 4.457) 9.308 4.581 ( -2.907 0.000 -14.779) 15.062 4.616 ( -0.609 0.000 -11.777) 11.793 4.978 ( 6.666 0.000 -7.370) 9.938 5.247 ( 4.114 0.000 -0.512) 4.145 5.350 ( 10.660 0.000 -6.346) 12.405 5.501 ( -4.534 0.000 -3.730) 5.871 5.680 ( -3.965 0.000 -0.145) 3.968 5.756 ( -11.159 0.000 4.469) 12.020 6.825 ( 0.388 0.000 8.754) 8.763 6.910 ( -1.238 0.000 3.112) 3.350 7.119 ( -3.868 0.000 -1.313) 4.085 7.332 ( -1.933 0.000 2.103) 2.856 7.521 ( -5.757 0.000 5.271) 7.806 7.762 ( -8.937 0.000 -12.047) 15.000 8.215 ( 7.822 0.000 -2.161) 8.115 8.496 ( -2.817 0.000 -1.672) 3.276 8.651 ( -0.820 0.000 5.530) 5.591 8.823 ( -3.197 0.000 -6.370) 7.128 9.077 ( 12.550 0.000 14.391) 19.095 9.235 ( 0.669 0.000 4.649) 4.697 9.461 ( -1.846 0.000 -1.421) 2.330 9.867 ( 2.516 0.000 -5.373) 5.933 10.105 ( 6.885 0.000 -6.353) 9.368 10.196 ( -3.068 0.000 4.425) 5.384 10.595 ( 0.841 0.000 4.508) 4.586 10.691 ( 1.705 0.000 -5.264) 5.534 11.155 ( 6.978 0.000 2.325) 7.355 11.400 ( 10.478 0.000 6.446) 12.302 11.636 ( -0.978 0.000 1.287) 1.617 11.996 ( -5.418 0.000 -5.269) 7.557 12.079 ( -10.790 0.000 -0.895) 10.827 12.363 ( -6.826 0.000 -4.853) 8.375 12.539 ( 9.218 0.000 -1.018) 9.274 13.128 ( -3.543 0.000 -3.614) 5.061 13.514 ( -0.209 0.000 4.458) 4.463 13.647 ( -1.298 0.000 -2.698) 2.994 14.953 ( 5.017 0.000 -3.056) 5.874 15.270 ( 1.305 0.000 2.423) 2.752 15.637 ( 13.113 0.000 -4.751) 13.947 15.797 ( -11.069 0.000 3.974) 11.761 15.948 ( 7.189 0.000 3.913) 8.185 16.147 ( -6.322 0.000 13.011) 14.466 16.588 ( 2.742 0.000 0.024) 2.742 16.699 ( -2.734 0.000 -0.155) 2.739 17.183 ( 6.045 0.000 -0.142) 6.047 17.738 ( -4.689 0.000 -1.502) 4.924 18.569 ( 17.200 0.000 -9.765) 19.779 19.275 ( -12.581 0.000 3.344) 13.018 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 8.749 0.000 2.191) 9.019 1.825 ( -15.893 0.000 -5.627) 16.860 2.055 ( 14.425 0.000 7.709) 16.356 2.219 ( 14.752 0.000 1.078) 14.791 2.322 ( 0.589 0.000 1.510) 1.621 2.598 ( -19.327 0.000 -1.996) 19.429 2.724 ( -3.860 0.000 5.109) 6.403 2.777 ( -0.811 0.000 -3.887) 3.971 3.057 ( 5.117 0.000 2.082) 5.525 3.148 ( -3.931 0.000 0.784) 4.009 3.740 ( 11.508 0.000 7.228) 13.590 3.986 ( -11.037 0.000 -0.564) 11.051 4.399 ( -1.087 0.000 -6.259) 6.352 4.448 ( -3.187 0.000 -9.073) 9.616 5.066 ( 10.501 0.000 -2.984) 10.917 5.216 ( -6.238 0.000 -1.856) 6.509 5.431 ( 4.799 0.000 -3.370) 5.864 5.440 ( -0.503 0.000 0.463) 0.684 5.645 ( -1.669 0.000 1.378) 2.165 5.659 ( -3.922 0.000 1.090) 4.070 6.878 ( -0.204 0.000 1.609) 1.622 6.899 ( -2.046 0.000 0.657) 2.149 7.163 ( 4.707 0.000 5.859) 7.516 7.301 ( -5.069 0.000 0.415) 5.086 7.484 ( -5.375 0.000 5.577) 7.746 7.524 ( -0.505 0.000 -12.569) 12.579 8.335 ( 6.381 0.000 0.923) 6.447 8.426 ( -2.828 0.000 -1.946) 3.433 8.678 ( -3.064 0.000 5.607) 6.389 8.717 ( -0.756 0.000 -5.677) 5.727 9.316 ( 0.048 0.000 7.179) 7.180 9.370 ( 3.379 0.000 -1.277) 3.612 9.469 ( 5.974 0.000 11.163) 12.661 9.734 ( -4.846 0.000 -12.841) 13.725 10.154 ( 6.273 0.000 -5.284) 8.202 10.186 ( -4.441 0.000 4.802) 6.541 10.648 ( -1.099 0.000 5.019) 5.138 10.672 ( 2.295 0.000 -4.636) 5.173 11.325 ( 9.132 0.000 3.835) 9.904 11.522 ( -6.026 0.000 -5.375) 8.075 11.658 ( 7.196 0.000 7.611) 10.474 11.876 ( -9.887 0.000 -4.368) 10.809 11.999 ( 4.850 0.000 5.004) 6.968 12.178 ( -7.111 0.000 -6.811) 9.847 12.731 ( 11.335 0.000 3.485) 11.858 12.961 ( -9.449 0.000 -5.143) 10.758 13.563 ( 0.631 0.000 3.353) 3.412 13.607 ( -0.659 0.000 -2.432) 2.519 15.051 ( 7.198 0.000 1.967) 7.462 15.209 ( -5.967 0.000 -4.176) 7.283 15.715 ( 6.144 0.000 -6.659) 9.061 15.729 ( -6.232 0.000 7.839) 10.014 16.117 ( 7.181 0.000 -0.273) 7.187 16.167 ( -4.825 0.000 6.888) 8.410 16.640 ( 1.836 0.000 1.433) 2.329 16.670 ( -1.396 0.000 0.472) 1.474 17.317 ( 9.517 0.000 2.324) 9.797 17.545 ( -10.876 0.000 -5.727) 12.292 18.810 ( 18.416 0.000 -3.302) 18.710 19.068 ( -15.662 0.000 2.005) 15.790 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 15.028 -0.103 -21.804) 26.482 1.381 ( -15.028 -0.103 21.804) 26.482 1.944 ( 3.443 9.731 -19.280) 21.869 1.944 ( -3.443 9.731 19.280) 21.869 2.631 ( 2.834 9.062 -7.114) 11.864 2.631 ( -2.834 9.062 7.114) 11.864 3.112 ( 3.301 -6.129 -7.150) 9.979 3.112 ( -3.301 -6.129 7.150) 9.979 3.299 ( -0.968 -0.674 -5.208) 5.340 3.299 ( 0.968 -0.674 5.208) 5.340 3.931 ( -1.524 -3.299 -9.388) 10.067 3.931 ( 1.524 -3.299 9.388) 10.067 4.633 ( 1.034 4.549 -2.066) 5.102 4.633 ( -1.035 4.549 2.066) 5.102 5.058 ( 0.342 -3.055 -2.536) 3.985 5.058 ( -0.342 -3.055 2.536) 3.985 5.448 ( 0.450 1.101 -7.787) 7.877 5.448 ( -0.450 1.101 7.787) 7.877 6.168 ( 6.545 -3.409 -6.280) 9.690 6.168 ( -6.545 -3.409 6.280) 9.690 6.885 ( -0.870 -5.389 -5.188) 7.530 6.885 ( 0.870 -5.389 5.188) 7.531 7.320 ( -10.737 -1.371 -1.078) 10.878 7.320 ( 10.737 -1.371 1.079) 10.878 7.658 ( -3.231 5.490 -2.375) 6.799 7.658 ( 3.231 5.490 2.376) 6.798 7.975 ( -2.281 -2.952 -4.230) 5.640 7.975 ( 2.280 -2.952 4.230) 5.640 8.583 ( -4.065 -6.715 -2.891) 8.365 8.583 ( 4.065 -6.715 2.891) 8.365 9.513 ( -3.894 -0.512 -6.967) 7.998 9.513 ( 3.894 -0.512 6.967) 7.998 9.619 ( -0.465 -2.455 -9.137) 9.472 9.619 ( 0.465 -2.455 9.137) 9.472 10.046 ( -2.822 3.444 -2.574) 5.143 10.046 ( 2.822 3.444 2.574) 5.143 10.675 ( -2.599 2.783 -9.853) 10.563 10.675 ( 2.599 2.783 9.853) 10.563 10.847 ( -4.917 5.921 -2.805) 8.192 10.847 ( 4.917 5.921 2.805) 8.192 11.952 ( -5.240 -3.516 -9.410) 11.330 11.952 ( 5.240 -3.517 9.410) 11.330 12.582 ( -1.975 -2.556 -7.643) 8.298 12.582 ( 1.975 -2.556 7.643) 8.298 12.827 ( 0.921 5.750 -5.973) 8.342 12.827 ( -0.922 5.750 5.973) 8.342 13.682 ( 5.943 0.103 -2.652) 6.509 13.682 ( -5.943 0.103 2.653) 6.509 14.719 ( 11.919 -0.955 -17.608) 21.284 14.719 ( -11.919 -0.956 17.608) 21.284 15.570 ( -1.344 -1.280 -17.538) 17.636 15.570 ( 1.344 -1.280 17.538) 17.636 16.085 ( -7.122 0.547 -3.898) 8.138 16.085 ( 7.122 0.547 3.898) 8.138 16.611 ( 1.349 -6.938 -7.719) 10.466 16.611 ( -1.349 -6.938 7.719) 10.466 17.085 ( 0.133 14.303 -3.011) 14.617 17.085 ( -0.133 14.303 3.011) 14.617 19.179 ( -0.752 -3.416 -16.386) 16.755 19.179 ( 0.752 -3.416 16.386) 16.755 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 9.515 -1.011 -9.368) 13.390 1.439 ( -0.149 1.291 8.593) 8.691 1.797 ( 5.013 7.153 -17.583) 19.633 2.144 ( 5.504 10.714 10.640) 16.071 2.382 ( -15.534 5.058 -7.006) 17.776 2.604 ( 0.757 14.442 -8.414) 16.731 3.056 ( -0.354 -5.802 -6.553) 8.759 3.102 ( -6.538 -4.605 4.828) 9.342 3.280 ( -0.072 -0.205 0.088) 0.234 3.410 ( 0.833 -2.924 8.000) 8.558 3.776 ( -4.745 -3.373 -8.748) 10.508 4.040 ( -1.060 -3.727 9.075) 9.868 4.610 ( -2.096 0.992 3.679) 4.349 4.685 ( 2.126 3.809 1.516) 4.618 5.038 ( 1.813 -3.740 -6.232) 7.491 5.100 ( 5.093 0.774 -1.310) 5.316 5.348 ( 0.928 1.629 -11.710) 11.860 5.518 ( 1.519 -0.177 3.562) 3.876 6.119 ( -10.689 -2.808 10.657) 15.352 6.168 ( -0.881 -3.649 -3.708) 5.277 6.782 ( -6.066 -4.100 -1.858) 7.554 6.913 ( -5.786 1.980 7.148) 9.407 7.189 ( -1.541 -7.618 -0.123) 7.773 7.448 ( 0.468 2.243 0.723) 2.403 7.619 ( 0.436 -1.923 2.111) 2.889 7.868 ( 13.060 5.825 4.380) 14.956 7.915 ( 1.985 0.087 -4.056) 4.516 8.079 ( 5.388 -5.916 3.737) 8.832 8.463 ( -4.779 -5.811 -4.315) 8.673 8.664 ( 2.569 -7.293 0.450) 7.745 9.310 ( -4.710 -1.798 -12.369) 13.357 9.492 ( 0.194 -2.250 -7.775) 8.096 9.614 ( 1.303 4.342 -1.127) 4.671 9.721 ( -4.817 -2.195 9.047) 10.482 9.984 ( -1.593 3.263 4.087) 5.467 10.132 ( 3.200 2.014 -0.389) 3.801 10.586 ( 3.308 1.343 -3.098) 4.727 10.683 ( -5.755 4.938 -2.274) 7.917 10.875 ( 5.495 5.565 5.772) 9.720 10.959 ( 5.670 5.970 -0.502) 8.249 11.787 ( -5.075 0.261 -3.675) 6.271 12.121 ( 1.119 -9.676 8.092) 12.663 12.443 ( -2.613 -5.622 -8.167) 10.254 12.647 ( -0.598 0.996 0.956) 1.504 12.760 ( -2.059 4.300 -3.994) 6.219 12.915 ( 2.650 9.486 7.652) 12.472 13.577 ( -7.681 1.058 2.489) 8.143 13.763 ( 5.818 -2.048 -3.931) 7.314 14.738 ( 2.486 -2.672 1.948) 4.137 14.825 ( 8.804 1.291 2.388) 9.213 15.345 ( -2.747 0.401 -13.584) 13.865 15.735 ( -5.307 -3.258 15.452) 16.659 15.972 ( -2.005 0.173 -0.028) 2.012 16.230 ( 3.229 1.656 1.537) 3.941 16.559 ( 3.150 -4.075 -4.812) 7.049 16.755 ( 8.422 -6.756 4.304) 11.624 17.057 ( -0.590 13.336 -1.477) 13.431 17.134 ( 2.638 12.155 3.683) 12.972 18.948 ( -2.915 -3.693 -18.472) 19.062 19.334 ( -2.438 -3.802 13.262) 14.010 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 13.276 -2.618 -17.896) 22.436 1.530 ( -0.826 4.777 6.419) 8.044 1.725 ( 5.186 8.171 -9.464) 13.536 2.076 ( -13.183 0.487 1.913) 13.330 2.360 ( 12.829 17.314 -1.332) 21.590 2.591 ( 2.125 7.381 3.382) 8.392 2.956 ( -2.482 -3.777 -7.078) 8.398 3.019 ( -8.446 -3.785 4.138) 10.139 3.235 ( -4.894 1.941 -0.692) 5.310 3.463 ( -4.226 -4.339 5.454) 8.151 3.575 ( -8.286 -3.169 -7.164) 11.403 4.097 ( -3.753 -5.408 7.959) 10.328 4.637 ( 1.717 -3.592 0.754) 4.052 4.743 ( 3.602 0.772 -0.296) 3.695 4.956 ( 0.174 -5.177 -9.037) 10.416 5.169 ( 2.960 5.352 -5.745) 8.392 5.267 ( 7.410 2.593 -8.127) 11.300 5.576 ( 2.135 -1.505 0.682) 2.699 6.031 ( -11.775 -2.514 2.873) 12.379 6.045 ( -10.082 -2.035 1.878) 10.455 6.675 ( -5.115 -1.980 1.299) 5.637 6.917 ( -3.145 5.593 7.912) 10.187 7.215 ( 2.424 -7.647 0.791) 8.061 7.423 ( -6.296 1.500 3.709) 7.460 7.591 ( -3.054 -2.508 -1.935) 4.400 7.965 ( 5.813 -1.779 -1.830) 6.349 8.068 ( 1.502 -5.400 4.854) 7.415 8.276 ( 6.216 -8.698 4.600) 11.639 8.381 ( 7.899 4.145 -1.878) 9.116 8.661 ( -1.993 -8.533 -1.978) 8.983 9.117 ( -2.305 -0.571 -10.693) 10.954 9.404 ( -0.157 0.147 -11.551) 11.553 9.539 ( -5.456 2.654 -0.003) 6.067 9.745 ( 1.511 4.809 5.102) 7.172 10.079 ( 1.983 1.032 6.288) 6.673 10.145 ( 1.031 -0.537 -0.902) 1.471 10.586 ( -1.708 7.346 -1.345) 7.660 10.694 ( 7.714 1.687 0.378) 7.905 11.008 ( 5.137 2.815 -0.617) 5.890 11.042 ( 4.407 7.974 4.057) 9.973 11.697 ( -4.338 0.681 0.856) 4.474 12.147 ( -3.449 -11.053 1.972) 11.745 12.310 ( -4.648 -8.589 -6.657) 11.819 12.621 ( -1.585 4.958 -0.653) 5.246 12.670 ( -3.089 6.041 -3.904) 7.828 13.070 ( 5.397 8.807 5.997) 11.943 13.496 ( -5.239 0.030 2.497) 5.804 13.776 ( 1.125 -2.262 -4.136) 4.846 14.806 ( 4.046 -5.789 -1.901) 7.314 15.054 ( 12.253 3.709 6.091) 14.177 15.235 ( 4.711 4.492 -5.978) 8.838 15.751 ( -4.799 -6.381 5.694) 9.807 16.015 ( -2.223 1.101 10.272) 10.568 16.202 ( -5.271 2.649 -0.660) 5.936 16.569 ( 4.493 0.100 -6.315) 7.751 16.934 ( 5.840 -2.008 3.075) 6.899 17.018 ( -3.751 13.725 1.019) 14.265 17.326 ( 14.586 2.594 5.620) 15.845 18.680 ( -2.888 -5.128 -19.536) 20.403 19.392 ( -6.094 -4.543 9.561) 12.214 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 13.819 0.150 -12.579) 18.688 1.559 ( 4.005 5.538 -3.736) 7.789 1.752 ( 2.612 8.883 4.433) 10.265 2.031 ( -3.722 -0.782 11.439) 12.055 2.500 ( 5.494 17.473 -3.828) 18.712 2.718 ( 1.989 -2.862 8.682) 9.356 2.831 ( -2.797 -3.004 -4.242) 5.903 2.954 ( -3.173 -0.832 1.896) 3.789 3.140 ( -4.752 4.848 1.504) 6.953 3.297 ( -12.690 -0.438 -5.937) 14.017 3.454 ( -5.101 -5.705 3.717) 8.508 4.092 ( -6.151 -7.168 5.813) 11.091 4.652 ( 3.260 -4.937 -7.338) 9.426 4.728 ( 0.751 -1.313 -9.233) 9.356 4.935 ( 5.171 -4.474 -2.623) 7.324 5.082 ( 1.915 -1.080 -10.733) 10.956 5.372 ( 7.748 5.918 -2.091) 9.972 5.593 ( 0.215 -1.489 -0.744) 1.678 5.806 ( -9.751 -0.578 -6.575) 11.775 5.905 ( -13.294 -0.925 6.789) 14.956 6.654 ( -1.082 -3.346 3.890) 5.244 6.978 ( -0.562 6.340 7.470) 9.814 7.258 ( -0.570 -3.478 1.197) 3.723 7.304 ( -6.690 0.573 -1.300) 6.839 7.544 ( -3.134 -1.533 1.852) 3.950 7.964 ( -10.155 -4.603 -0.228) 11.152 8.035 ( 4.273 -7.729 -6.254) 10.822 8.392 ( 4.217 -9.508 7.231) 12.668 8.564 ( -3.536 -8.110 -2.349) 9.154 8.681 ( 13.608 2.049 5.075) 14.668 8.997 ( 0.230 1.976 -7.705) 7.958 9.264 ( -0.816 2.248 -6.034) 6.491 9.498 ( -3.696 1.997 2.989) 5.156 9.864 ( 5.725 3.132 3.196) 7.266 10.103 ( 2.813 3.301 -2.471) 4.992 10.229 ( 2.328 2.328 5.469) 6.383 10.583 ( 1.814 6.314 -0.385) 6.581 10.773 ( 3.336 4.497 -4.226) 7.015 11.078 ( 2.948 2.773 2.967) 5.019 11.195 ( 7.718 3.198 4.648) 9.560 11.653 ( -1.969 0.991 0.816) 2.350 12.094 ( -6.065 -10.110 1.667) 11.907 12.125 ( -6.305 -6.019 -7.395) 11.431 12.543 ( -5.334 1.985 -3.104) 6.483 12.629 ( 2.291 12.201 -1.627) 12.521 13.185 ( 2.757 4.879 0.864) 5.670 13.465 ( -1.854 -1.625 2.467) 3.488 13.718 ( -2.316 -0.590 -3.575) 4.300 14.823 ( 3.835 -6.095 -4.380) 8.428 15.310 ( 5.914 10.644 9.921) 15.706 15.400 ( 18.878 1.953 -2.237) 19.110 15.746 ( -1.626 -6.304 3.032) 7.182 16.010 ( -7.764 1.059 0.805) 7.877 16.155 ( -4.607 4.011 10.945) 12.534 16.569 ( 3.666 0.819 -4.777) 6.076 16.918 ( -5.079 13.189 -2.306) 14.320 17.062 ( 3.253 -1.085 3.877) 5.176 17.651 ( 12.359 -0.009 6.133) 13.796 18.447 ( 2.671 -8.500 -18.564) 20.592 19.347 ( -9.648 -5.448 5.788) 12.501 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -1.254 0.586 -0.960) 1.685 1.732 ( 19.799 4.390 -4.770) 20.833 1.898 ( 6.409 2.223 2.753) 7.321 2.140 ( -4.076 1.827 18.301) 18.838 2.430 ( -5.992 11.626 -0.846) 13.107 2.769 ( 1.272 0.949 -2.046) 2.589 2.831 ( -0.785 1.429 -0.336) 1.665 2.916 ( -2.367 -2.952 3.063) 4.868 3.011 ( -12.942 2.416 -3.268) 13.565 3.159 ( 0.041 2.607 2.740) 3.783 3.476 ( 3.146 -4.291 6.495) 8.396 4.029 ( -8.047 -7.708 4.066) 11.862 4.550 ( -0.995 -2.654 -13.694) 13.984 4.609 ( -0.925 -1.075 -11.385) 11.473 4.956 ( 5.006 -1.757 -7.080) 8.848 5.085 ( 6.932 -8.447 -3.829) 11.579 5.419 ( -0.057 1.092 -0.266) 1.125 5.585 ( -4.409 4.022 -6.773) 9.027 5.609 ( -1.143 -4.122 0.943) 4.380 5.776 ( -9.274 0.909 4.162) 10.205 6.718 ( 2.314 -5.058 4.958) 7.451 7.028 ( -3.629 5.867 4.348) 8.154 7.148 ( -3.657 2.412 -1.559) 4.650 7.312 ( 0.410 -1.092 2.683) 2.925 7.493 ( -2.964 -4.153 -2.134) 5.531 7.745 ( -10.447 0.102 -3.709) 11.086 8.076 ( 4.885 -9.273 -1.216) 10.552 8.397 ( -5.710 -13.088 -1.861) 14.400 8.600 ( 3.589 -1.819 6.397) 7.557 8.867 ( 4.044 -5.045 -1.814) 6.715 8.967 ( 2.111 2.134 1.610) 3.406 9.255 ( 1.744 -3.347 -2.540) 4.549 9.506 ( 1.094 8.333 7.238) 11.091 9.953 ( 2.650 3.510 -1.606) 4.682 10.162 ( 4.997 6.808 -0.130) 8.446 10.296 ( 0.630 6.688 1.798) 6.954 10.617 ( 1.829 3.355 0.541) 3.859 10.742 ( 0.106 4.200 -4.096) 5.868 11.172 ( 4.609 1.238 2.572) 5.421 11.395 ( 9.306 -0.719 4.684) 10.443 11.629 ( -3.243 -1.434 -0.476) 3.577 11.925 ( -7.984 -6.821 -1.558) 10.616 12.040 ( -2.475 -0.912 -0.309) 2.656 12.403 ( -5.982 3.142 -4.763) 8.267 12.692 ( 6.502 12.106 0.165) 13.743 13.169 ( -2.777 3.631 -3.450) 5.727 13.480 ( 0.530 -3.173 1.641) 3.611 13.637 ( -3.081 -1.007 -2.220) 3.929 14.880 ( 6.922 -2.688 -0.408) 7.436 15.459 ( 0.248 13.300 0.420) 13.309 15.624 ( 7.722 -1.291 -1.931) 8.063 15.768 ( 0.319 -0.556 4.255) 4.303 15.967 ( 4.442 1.507 4.110) 6.237 16.211 ( -4.437 3.245 10.988) 12.286 16.595 ( 3.444 0.560 -1.394) 3.758 16.791 ( -6.441 9.464 -2.283) 11.673 17.160 ( 4.967 -1.255 2.046) 5.517 17.739 ( -5.129 0.099 -2.751) 5.821 18.452 ( 16.982 -10.802 -8.513) 21.853 19.206 ( -12.867 -6.457 2.683) 14.645 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 7.017 -1.454 1.234) 7.272 1.747 ( -11.791 -4.855 -3.545) 13.235 2.124 ( 14.695 6.285 6.899) 17.408 2.305 ( 2.743 5.831 5.361) 8.382 2.414 ( 4.212 6.807 -1.522) 8.149 2.625 ( -13.049 1.212 -3.445) 13.550 2.793 ( -6.500 6.981 5.698) 11.111 2.813 ( 0.170 4.448 -3.325) 5.555 3.032 ( 5.154 -2.277 2.657) 6.230 3.130 ( -4.078 -1.452 -0.518) 4.360 3.685 ( 10.839 -4.562 5.865) 13.141 3.905 ( -10.371 -6.918 -0.006) 12.467 4.397 ( -0.848 -0.357 -5.142) 5.223 4.450 ( -2.698 -0.198 -9.088) 9.482 5.015 ( 8.174 -4.306 -2.400) 9.545 5.114 ( -1.144 -6.830 -2.340) 7.310 5.413 ( -0.798 -1.832 1.341) 2.407 5.443 ( -2.803 -2.399 -3.009) 4.761 5.641 ( 2.496 0.461 -0.511) 2.589 5.690 ( -5.373 1.047 2.065) 5.850 6.826 ( 4.907 -3.004 2.975) 6.477 6.942 ( -6.700 1.895 -0.394) 6.974 7.168 ( 2.307 0.721 4.434) 5.050 7.286 ( -4.505 -0.985 -3.617) 5.861 7.465 ( 5.300 -0.955 -2.483) 5.930 7.570 ( -8.234 3.536 0.104) 8.962 8.164 ( 5.458 -10.916 1.152) 12.258 8.276 ( -5.622 -11.752 -2.227) 13.216 8.723 ( 2.722 1.176 6.160) 6.836 8.827 ( -1.299 0.705 -5.672) 5.861 9.074 ( 2.145 -8.031 7.974) 11.519 9.193 ( -1.401 -9.078 -7.183) 11.661 9.698 ( 6.314 12.130 11.030) 17.569 9.895 ( -3.145 8.970 -7.912) 12.367 10.238 ( 3.254 7.806 1.139) 8.533 10.292 ( -1.499 8.185 -0.951) 8.375 10.659 ( 1.558 1.476 2.045) 2.964 10.704 ( -0.500 2.599 -2.545) 3.671 11.301 ( 7.238 -1.777 3.291) 8.147 11.478 ( -6.776 -3.892 -5.327) 9.458 11.612 ( 7.776 -3.638 4.697) 9.786 11.789 ( -8.820 -5.856 -0.752) 10.614 12.079 ( 4.911 5.109 3.858) 8.069 12.238 ( -6.462 4.491 -5.786) 9.767 12.845 ( 9.008 9.946 3.166) 13.788 13.033 ( -7.347 6.528 -4.647) 10.871 13.515 ( 1.810 -4.290 1.240) 4.819 13.568 ( -2.683 -3.407 -1.464) 4.577 15.047 ( 10.109 1.480 4.364) 11.110 15.291 ( -10.394 5.668 -7.028) 13.768 15.736 ( 4.443 3.689 2.302) 6.216 15.794 ( -1.343 3.413 0.717) 3.737 16.150 ( 9.744 3.766 0.048) 10.447 16.240 ( -5.879 5.347 7.455) 10.896 16.638 ( 2.306 0.086 -0.064) 2.309 16.682 ( -3.581 2.680 -0.960) 4.575 17.298 ( 8.223 -1.458 4.128) 9.316 17.526 ( -10.378 -1.706 -7.210) 12.752 18.712 ( 18.509 -9.041 -1.838) 20.681 18.986 ( -15.846 -7.615 1.024) 17.610 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 6.505 11.994 -14.057) 19.590 1.514 ( -6.505 11.994 14.057) 19.590 2.142 ( -1.603 8.821 -12.829) 15.652 2.142 ( 1.603 8.821 12.829) 15.652 2.792 ( -7.453 2.571 -6.616) 10.292 2.792 ( 7.453 2.571 6.616) 10.292 2.941 ( 3.230 -7.083 -4.151) 8.823 2.941 ( -3.230 -7.084 4.151) 8.823 3.314 ( -4.011 1.508 -1.460) 4.527 3.314 ( 4.011 1.508 1.460) 4.526 3.817 ( -2.339 -7.344 -8.427) 11.420 3.817 ( 2.339 -7.344 8.427) 11.420 4.768 ( -2.911 7.761 -1.069) 8.357 4.768 ( 2.911 7.761 1.070) 8.357 5.020 ( -0.937 0.898 -3.834) 4.048 5.020 ( 0.937 0.898 3.834) 4.048 5.499 ( -1.403 3.705 -3.115) 5.040 5.499 ( 1.403 3.705 3.115) 5.040 6.052 ( 4.791 -7.391 -4.066) 9.701 6.052 ( -4.791 -7.391 4.066) 9.701 6.752 ( -1.104 -7.115 -4.486) 8.483 6.752 ( 1.104 -7.115 4.486) 8.483 7.258 ( -10.805 -4.327 0.246) 11.642 7.258 ( 10.806 -4.327 -0.246) 11.642 7.754 ( -6.707 2.547 -0.684) 7.207 7.754 ( 6.707 2.547 0.684) 7.207 7.945 ( 0.776 0.947 -2.015) 2.358 7.945 ( -0.776 0.947 2.015) 2.358 8.401 ( -3.694 -10.001 -1.817) 10.815 8.401 ( 3.694 -10.001 1.817) 10.815 9.454 ( -1.078 -3.626 -9.051) 9.809 9.454 ( 1.078 -3.626 9.051) 9.810 9.604 ( -1.246 0.256 -4.117) 4.310 9.604 ( 1.246 0.256 4.117) 4.310 10.118 ( -1.449 2.733 -3.210) 4.458 10.118 ( 1.449 2.733 3.210) 4.458 10.759 ( -2.168 4.831 -7.561) 9.231 10.759 ( 2.168 4.831 7.561) 9.231 10.985 ( -4.033 6.319 -1.932) 7.741 10.985 ( 4.033 6.319 1.933) 7.741 11.893 ( 0.129 -1.221 -5.847) 5.974 11.893 ( -0.129 -1.221 5.847) 5.975 12.464 ( -6.935 -8.033 -5.298) 11.861 12.464 ( 6.935 -8.032 5.298) 11.861 13.011 ( -2.304 10.356 -5.463) 11.933 13.011 ( 2.304 10.356 5.463) 11.933 13.704 ( 3.609 2.140 -1.989) 4.643 13.704 ( -3.609 2.140 1.989) 4.643 14.708 ( 6.979 0.083 -14.506) 16.098 14.708 ( -6.979 0.083 14.506) 16.098 15.544 ( -2.052 -0.814 -13.372) 13.553 15.544 ( 2.052 -0.814 13.372) 13.553 16.050 ( -5.577 -4.653 -4.612) 8.604 16.050 ( 5.577 -4.652 4.613) 8.604 16.490 ( 3.587 -4.037 -8.000) 9.652 16.490 ( -3.587 -4.036 8.001) 9.652 17.417 ( -2.417 16.072 -3.975) 16.731 17.417 ( 2.417 16.072 3.975) 16.731 19.084 ( -1.256 -5.226 -14.552) 15.513 19.084 ( 1.256 -5.226 14.552) 15.513 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 9.587 10.683 -12.586) 19.091 1.602 ( 0.264 11.577 9.206) 14.794 1.967 ( -1.882 8.819 -8.669) 12.509 2.289 ( -1.369 4.489 2.012) 5.106 2.545 ( -8.923 8.164 0.878) 12.126 2.863 ( 0.385 -1.080 -4.043) 4.202 2.907 ( -2.428 -7.056 -0.232) 7.466 3.006 ( 1.146 3.359 2.496) 4.339 3.239 ( -3.696 -1.736 1.356) 4.303 3.385 ( 1.422 -0.858 1.018) 1.948 3.662 ( -4.595 -7.385 -8.189) 11.946 3.918 ( -0.610 -7.529 6.372) 9.882 4.659 ( -6.535 3.968 0.924) 7.701 4.780 ( -2.104 5.573 -0.371) 5.968 4.974 ( 1.821 -1.416 -8.200) 8.518 5.154 ( 8.629 4.668 3.208) 10.321 5.410 ( -1.652 4.061 -7.920) 9.053 5.538 ( 2.220 2.093 -0.839) 3.165 6.014 ( -8.377 -7.013 8.578) 13.890 6.063 ( -0.457 -6.078 -1.773) 6.348 6.684 ( -2.742 -5.069 -0.635) 5.798 6.878 ( 6.000 -6.404 4.770) 9.988 7.087 ( -10.198 -1.056 3.072) 10.703 7.384 ( 3.429 -7.129 0.176) 7.913 7.641 ( -6.184 2.848 1.248) 6.922 7.861 ( 3.789 -1.938 0.786) 4.328 7.924 ( -0.147 -4.683 0.069) 4.686 8.058 ( 7.726 4.609 1.591) 9.136 8.316 ( -0.434 -7.418 -1.849) 7.657 8.480 ( 3.989 -8.974 -1.825) 9.989 9.279 ( -3.383 -0.933 -11.529) 12.051 9.430 ( 0.578 -3.584 -7.158) 8.026 9.646 ( -1.808 -1.638 5.877) 6.363 9.699 ( 2.302 1.468 5.567) 6.200 10.073 ( -0.915 3.671 1.203) 3.969 10.175 ( 1.031 1.975 -0.081) 2.229 10.670 ( 2.418 6.201 -3.236) 7.401 10.799 ( -2.979 5.661 0.719) 6.437 10.985 ( 3.961 4.793 1.553) 6.409 11.102 ( 5.319 6.066 2.613) 8.481 11.823 ( -2.088 3.436 -3.490) 5.324 11.933 ( -3.163 -7.052 5.349) 9.400 12.277 ( -6.710 -8.952 -5.384) 12.415 12.591 ( 3.626 -6.023 0.665) 7.061 12.937 ( -0.792 11.052 -3.381) 11.585 13.141 ( 4.275 10.647 7.012) 13.446 13.610 ( -7.277 2.010 0.239) 7.554 13.737 ( 2.551 0.013 -3.006) 3.942 14.691 ( 5.460 -1.131 -5.414) 7.772 14.851 ( 6.812 0.915 7.873) 10.451 15.373 ( -1.506 2.651 -8.355) 8.894 15.679 ( -3.292 -1.798 9.755) 10.451 15.945 ( -2.017 -3.088 0.985) 3.818 16.185 ( 3.139 -6.113 1.579) 7.051 16.523 ( 9.882 -0.071 -4.775) 10.975 16.609 ( 7.447 -6.380 6.417) 11.719 17.316 ( -4.372 12.730 -2.835) 13.756 17.480 ( 0.102 17.082 3.280) 17.394 18.855 ( -4.859 -4.379 -16.492) 17.742 19.221 ( -2.714 -6.743 11.624) 13.709 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 8.443 9.899 -9.520) 16.122 1.679 ( 4.737 8.601 -3.113) 10.301 1.936 ( 1.375 10.871 2.736) 11.294 2.103 ( -12.711 2.453 0.830) 12.972 2.597 ( -0.104 6.815 8.332) 10.764 2.815 ( -0.496 -2.553 -2.808) 3.828 2.889 ( 2.966 1.545 -2.597) 4.235 2.963 ( -5.765 7.255 -0.177) 9.269 3.217 ( -2.571 -4.258 2.523) 5.577 3.377 ( -3.616 -3.107 1.211) 4.919 3.484 ( -7.112 -5.542 -6.262) 10.977 3.936 ( -3.971 -9.381 3.996) 10.942 4.585 ( -1.450 -0.564 -2.206) 2.700 4.762 ( -0.261 1.711 0.444) 1.787 4.867 ( -0.012 -2.501 -10.942) 11.225 5.268 ( -1.752 3.701 -10.321) 11.103 5.338 ( 7.250 3.456 2.252) 8.341 5.556 ( 1.220 -0.540 -1.697) 2.158 5.954 ( -10.832 -4.815 8.229) 14.431 5.981 ( -4.877 -3.760 -4.189) 7.448 6.633 ( -2.526 -2.050 -0.390) 3.277 7.018 ( -2.547 3.577 8.138) 9.248 7.038 ( 4.408 -8.508 2.253) 9.843 7.393 ( -3.284 -5.187 2.011) 6.460 7.562 ( -3.830 1.174 -0.738) 4.073 7.904 ( 2.693 -3.455 -3.123) 5.380 7.922 ( -2.934 -8.448 3.629) 9.651 8.104 ( -2.997 -6.777 3.208) 8.074 8.447 ( 10.962 0.309 -2.110) 11.167 8.484 ( 4.229 -5.682 -2.797) 7.615 9.124 ( -0.348 1.561 -8.793) 8.938 9.397 ( 4.496 -1.266 -8.655) 9.835 9.591 ( -6.587 2.303 1.479) 7.133 9.787 ( 0.289 0.059 5.725) 5.733 10.118 ( 1.712 -0.001 3.038) 3.487 10.182 ( 2.322 5.294 1.072) 5.879 10.761 ( 3.676 7.298 -1.780) 8.363 10.775 ( 3.565 7.029 4.233) 8.946 11.074 ( 5.233 3.024 -0.885) 6.108 11.191 ( 2.271 5.159 1.929) 5.958 11.741 ( -4.253 2.909 -1.242) 5.300 11.916 ( -4.131 -10.104 3.267) 11.395 12.136 ( -4.577 -6.256 -3.476) 8.496 12.608 ( -0.353 -3.970 -1.705) 4.335 12.903 ( 0.534 12.975 -2.101) 13.155 13.273 ( 2.970 9.379 3.890) 10.579 13.488 ( -6.099 -0.596 -0.889) 6.192 13.733 ( 0.763 -1.607 -2.487) 3.058 14.729 ( 5.015 -0.819 -4.196) 6.590 15.097 ( 12.815 0.284 6.240) 14.256 15.358 ( 5.210 6.862 0.691) 8.643 15.682 ( -2.756 0.027 3.481) 4.440 15.975 ( -1.285 -4.532 5.246) 7.051 16.210 ( -0.575 -2.144 1.666) 2.775 16.614 ( 8.682 2.697 -8.432) 12.400 16.864 ( 9.890 -3.782 7.486) 12.967 17.243 ( -2.183 6.487 1.250) 6.957 17.513 ( 1.206 14.046 2.860) 14.385 18.559 ( -7.107 -4.950 -17.880) 19.867 19.253 ( -6.837 -8.532 8.177) 13.653 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 4.509 7.448 -4.738) 9.912 1.737 ( 9.132 10.560 -4.325) 14.616 1.968 ( -2.748 10.366 5.619) 12.107 2.044 ( -3.926 1.684 11.687) 12.443 2.641 ( -5.006 -2.718 5.456) 7.888 2.749 ( -2.379 -2.378 -0.681) 3.432 2.885 ( -0.443 8.942 -2.119) 9.200 2.956 ( 2.495 5.293 -0.263) 5.857 3.220 ( -0.112 1.778 3.568) 3.988 3.283 ( -8.801 -1.427 -4.295) 9.896 3.309 ( -5.583 -6.069 1.909) 8.464 3.893 ( -5.615 -10.903 3.236) 12.683 4.552 ( 2.806 -3.407 -6.893) 8.185 4.686 ( 0.668 -2.436 -11.919) 12.184 4.851 ( 3.386 -2.127 0.990) 4.119 5.095 ( -2.715 1.600 -12.251) 12.650 5.436 ( 0.423 -0.191 1.075) 1.171 5.531 ( -1.895 -4.261 -1.006) 4.771 5.805 ( -6.977 -0.281 -5.404) 8.830 5.871 ( -9.141 -2.576 4.662) 10.580 6.607 ( -0.190 -1.058 0.567) 1.215 7.080 ( 0.546 3.325 5.518) 6.465 7.143 ( 4.915 -6.866 1.702) 8.614 7.312 ( -6.528 -1.584 -1.173) 6.819 7.502 ( -3.312 -0.252 -0.650) 3.384 7.869 ( -6.121 -4.449 2.114) 7.857 7.902 ( 0.654 -4.718 -2.269) 5.276 8.133 ( -1.238 -11.735 6.336) 13.394 8.396 ( -1.709 -6.550 -2.741) 7.304 8.671 ( 10.859 -4.511 -4.656) 12.647 9.086 ( 4.034 6.686 -5.384) 9.485 9.318 ( -0.629 2.557 -6.960) 7.441 9.574 ( -0.677 4.613 5.312) 7.068 9.867 ( 3.045 -1.370 5.144) 6.133 10.178 ( 2.975 1.528 3.331) 4.721 10.303 ( 5.466 5.236 5.136) 9.147 10.775 ( 2.696 10.512 -3.172) 11.306 10.888 ( 3.065 6.158 -1.243) 6.990 11.136 ( 2.914 2.491 1.245) 4.031 11.251 ( 3.293 1.514 2.203) 4.242 11.665 ( -3.757 -1.033 -1.096) 4.047 11.857 ( -6.823 -10.980 1.675) 13.035 12.057 ( -0.812 0.514 -1.138) 1.490 12.553 ( -2.990 -1.543 -2.619) 4.264 12.910 ( 2.048 13.638 -0.336) 13.795 13.300 ( -1.111 5.305 -1.186) 5.548 13.415 ( -1.527 -2.683 -0.737) 3.174 13.700 ( -1.576 -1.151 -2.696) 3.328 14.781 ( 5.788 2.576 -1.104) 6.431 15.401 ( 14.558 -0.880 5.067) 15.439 15.515 ( 6.085 5.410 7.296) 10.933 15.724 ( 5.465 6.155 1.556) 8.376 15.970 ( -3.685 -4.877 1.304) 6.250 16.228 ( -1.704 2.600 4.382) 5.373 16.620 ( 5.385 4.129 -9.589) 11.747 17.027 ( 2.791 0.378 4.364) 5.194 17.225 ( -6.472 9.889 3.880) 12.439 17.668 ( 11.549 2.018 5.640) 13.010 18.233 ( -6.009 -9.133 -18.783) 21.732 19.179 ( -10.542 -10.362 4.515) 15.456 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -2.655 2.652 -2.668) 4.605 1.853 ( -1.801 5.329 -1.284) 5.770 2.014 ( 8.897 8.710 5.319) 13.539 2.221 ( 2.576 5.051 18.218) 19.080 2.531 ( -5.542 -1.904 -0.954) 5.937 2.808 ( -5.467 -0.701 -1.683) 5.763 2.838 ( 5.289 -0.902 2.895) 6.096 2.952 ( -0.821 7.520 -0.180) 7.566 3.088 ( -9.012 4.720 0.176) 10.175 3.200 ( -3.907 0.242 -2.100) 4.442 3.397 ( 7.282 -0.823 6.825) 10.014 3.830 ( -6.810 -10.079 3.915) 12.778 4.485 ( 1.399 -2.918 -11.847) 12.281 4.568 ( 0.401 -2.524 -11.725) 12.000 4.914 ( 2.806 -2.672 -4.419) 5.877 4.958 ( 2.696 -2.441 -4.763) 5.993 5.389 ( -3.950 -4.394 -0.561) 5.935 5.452 ( -7.809 -7.194 -0.370) 10.624 5.667 ( -1.660 0.489 -4.860) 5.159 5.772 ( -8.285 -1.709 3.632) 9.206 6.653 ( 3.781 -0.910 2.332) 4.534 7.090 ( -4.511 -0.917 0.111) 4.605 7.195 ( -3.384 1.434 -1.575) 3.998 7.284 ( 8.983 -3.033 1.849) 9.660 7.408 ( -4.791 0.462 -3.443) 5.918 7.774 ( -8.380 1.307 2.576) 8.863 7.909 ( 2.848 -5.640 -1.380) 6.467 8.127 ( -4.875 -10.916 1.481) 12.046 8.419 ( 1.275 -11.036 7.049) 13.157 8.716 ( 4.281 -10.013 -8.225) 13.647 9.081 ( 3.403 7.567 -5.107) 9.742 9.256 ( -2.346 2.530 -2.306) 4.150 9.700 ( 6.406 9.065 8.725) 14.119 9.992 ( 3.994 1.031 4.373) 6.011 10.295 ( 4.510 3.837 5.181) 7.868 10.430 ( 2.973 5.830 3.435) 7.391 10.752 ( 1.327 8.060 -6.797) 10.627 10.853 ( -2.250 6.486 -3.001) 7.493 11.206 ( 2.736 1.980 1.952) 3.901 11.366 ( 7.299 -1.902 1.878) 7.773 11.555 ( -6.482 -5.019 -3.579) 8.945 11.760 ( -7.138 -7.741 2.866) 10.913 12.082 ( 2.914 4.597 1.984) 5.793 12.456 ( -4.196 1.241 -3.850) 5.828 12.968 ( 3.862 12.357 1.996) 13.099 13.257 ( -1.105 4.336 -2.561) 5.156 13.391 ( -0.030 -4.942 -1.425) 5.143 13.615 ( -4.263 -0.600 -3.440) 5.510 14.916 ( 8.682 6.172 3.636) 11.256 15.548 ( -0.429 -2.255 -1.655) 2.830 15.739 ( 6.937 4.054 9.547) 12.479 15.831 ( 2.715 8.949 -3.623) 10.029 15.999 ( 8.951 2.630 6.116) 11.155 16.248 ( -0.076 1.409 3.217) 3.513 16.621 ( 4.865 2.332 -4.896) 7.285 17.038 ( -6.742 9.669 -2.323) 12.014 17.169 ( -2.640 3.905 7.623) 8.963 17.763 ( -8.149 3.307 -7.102) 11.304 18.133 ( 17.077 -18.722 -4.163) 25.680 19.009 ( -13.634 -12.094 1.183) 18.264 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.728 -0.624 -0.589) 4.806 1.674 ( -12.993 -2.121 -0.896) 13.196 2.303 ( 12.655 10.137 6.574) 17.496 2.434 ( 2.358 5.317 7.997) 9.889 2.493 ( 0.549 0.481 -1.026) 1.259 2.628 ( -8.847 -0.455 -5.184) 10.264 2.945 ( 1.299 3.245 -0.119) 3.498 2.966 ( 1.201 1.860 1.881) 2.905 3.011 ( -1.805 7.791 5.609) 9.769 3.106 ( -3.548 0.735 -3.567) 5.085 3.595 ( 8.900 -2.444 3.038) 9.717 3.745 ( -8.244 -6.823 2.272) 10.940 4.378 ( -0.368 -1.424 -4.206) 4.456 4.428 ( -1.531 -1.842 -9.400) 9.700 4.925 ( 5.259 -3.344 -1.703) 6.461 4.989 ( 0.347 -4.685 -1.806) 5.033 5.321 ( -1.689 -8.459 -2.626) 9.017 5.334 ( -5.010 -5.913 2.073) 8.022 5.631 ( 1.978 -1.979 -2.086) 3.490 5.681 ( -6.224 -2.036 2.099) 6.877 6.779 ( 6.940 -0.919 3.670) 7.905 6.949 ( -8.035 -1.138 -3.460) 8.822 7.190 ( 1.236 1.002 2.333) 2.824 7.275 ( -3.701 -0.553 -4.775) 6.066 7.475 ( 10.466 2.401 0.738) 10.763 7.644 ( -9.916 2.998 1.235) 10.433 7.963 ( 4.522 -7.164 -0.229) 8.475 8.045 ( -5.254 -8.880 -0.013) 10.318 8.541 ( 0.510 -13.628 10.424) 17.165 8.654 ( 1.078 -12.931 -9.864) 16.299 9.110 ( 4.219 6.382 -1.272) 7.755 9.180 ( -3.842 4.430 -1.307) 6.008 9.921 ( 6.820 9.067 7.743) 13.737 10.046 ( -1.031 5.676 -1.209) 5.895 10.413 ( 3.125 6.955 3.252) 8.289 10.465 ( -1.097 7.189 0.334) 7.280 10.716 ( 2.958 3.725 -3.350) 5.818 10.774 ( -3.831 3.950 -1.660) 5.747 11.277 ( 4.204 -0.121 1.204) 4.374 11.387 ( -5.822 -3.743 -3.399) 7.711 11.530 ( 7.857 -3.922 1.071) 8.846 11.664 ( -8.095 -5.816 1.671) 10.107 12.189 ( 4.960 5.327 4.477) 8.545 12.329 ( -4.984 3.734 -4.965) 7.965 13.077 ( 4.601 9.499 3.966) 11.275 13.190 ( -2.913 6.614 -4.061) 8.290 13.406 ( 2.953 -4.892 0.617) 5.748 13.497 ( -5.040 -1.835 -2.776) 6.040 15.141 ( 10.561 7.087 7.066) 14.549 15.398 ( -9.224 3.985 -7.388) 12.472 15.841 ( 2.131 2.858 -0.024) 3.565 15.860 ( -0.375 5.864 2.440) 6.362 16.255 ( 8.231 3.303 6.117) 10.774 16.316 ( 3.688 2.392 0.426) 4.417 16.670 ( 5.554 3.983 -0.529) 6.855 16.834 ( -11.530 11.015 -2.732) 16.178 17.273 ( 3.970 -0.338 7.747) 8.711 17.486 ( -8.777 -1.438 -10.835) 14.018 18.449 ( 18.489 -15.286 1.951) 24.069 18.758 ( -16.226 -13.680 -1.225) 21.258 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 1.313 14.069 -6.443) 15.530 1.811 ( -1.313 14.069 6.443) 15.530 2.307 ( -5.689 6.624 -5.718) 10.438 2.307 ( 5.689 6.624 5.719) 10.438 2.642 ( 0.265 -10.855 -5.644) 12.238 2.642 ( -0.265 -10.855 5.644) 12.238 2.934 ( -6.217 1.531 -4.112) 7.609 2.934 ( 6.217 1.531 4.112) 7.609 3.325 ( 2.485 -0.762 -2.908) 3.901 3.325 ( -2.485 -0.762 2.908) 3.901 3.660 ( -2.454 -6.289 -7.458) 10.059 3.660 ( 2.454 -6.289 7.458) 10.059 4.919 ( -5.115 5.466 0.271) 7.490 4.919 ( 5.115 5.466 -0.271) 7.490 5.120 ( -2.943 7.628 -6.360) 10.358 5.120 ( 2.943 7.628 6.360) 10.358 5.599 ( 0.832 5.465 -1.319) 5.683 5.599 ( -0.832 5.465 1.319) 5.683 5.879 ( -2.897 -8.295 -0.059) 8.787 5.879 ( 2.897 -8.295 0.059) 8.787 6.587 ( -0.472 -8.043 -2.538) 8.447 6.587 ( 0.472 -8.043 2.538) 8.447 7.166 ( -3.701 -3.643 -0.344) 5.204 7.166 ( 3.701 -3.643 0.344) 5.204 7.784 ( -2.929 1.150 -0.720) 3.228 7.784 ( 2.929 1.150 0.720) 3.228 7.987 ( -8.686 2.167 -0.896) 8.997 7.987 ( 8.686 2.167 0.896) 8.996 8.189 ( -5.786 -9.211 -0.546) 10.892 8.189 ( 5.786 -9.211 0.546) 10.892 9.408 ( 0.662 -0.594 -7.236) 7.291 9.408 ( -0.662 -0.594 7.236) 7.291 9.602 ( -0.530 -0.530 -5.735) 5.784 9.602 ( 0.530 -0.530 5.735) 5.784 10.154 ( -0.741 0.865 -2.266) 2.536 10.154 ( 0.741 0.865 2.266) 2.536 10.856 ( -0.997 3.790 -3.683) 5.378 10.856 ( 0.997 3.790 3.683) 5.378 11.088 ( -2.478 3.145 -1.798) 4.389 11.088 ( 2.477 3.145 1.799) 4.389 11.924 ( -1.134 4.239 -1.516) 4.643 11.924 ( 1.134 4.239 1.516) 4.643 12.272 ( -8.559 -9.579 -3.890) 13.422 12.272 ( 8.559 -9.579 3.890) 13.421 13.206 ( -2.100 7.137 -3.440) 8.197 13.206 ( 2.100 7.137 3.441) 8.197 13.764 ( 3.024 3.011 -1.259) 4.449 13.764 ( -3.024 3.011 1.259) 4.449 14.720 ( 2.593 0.819 -9.181) 9.575 14.720 ( -2.593 0.819 9.181) 9.575 15.555 ( -1.454 2.298 -7.595) 8.067 15.555 ( 1.454 2.298 7.595) 8.067 15.895 ( -0.256 -8.963 -4.438) 10.005 15.895 ( 0.256 -8.963 4.439) 10.005 16.442 ( 3.591 -0.895 -4.862) 6.110 16.442 ( -3.591 -0.894 4.862) 6.110 17.712 ( -2.158 10.793 -4.536) 11.905 17.712 ( 2.158 10.793 4.536) 11.904 18.978 ( -1.233 -4.270 -9.638) 10.614 18.978 ( 1.233 -4.270 9.639) 10.614 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 3.407 13.662 -5.698) 15.190 1.862 ( 1.829 11.116 -0.164) 11.267 2.155 ( -5.384 8.788 -0.880) 10.343 2.366 ( -4.783 3.033 -4.104) 6.994 2.586 ( -0.275 -7.142 3.552) 7.981 2.705 ( -0.596 -9.904 5.570) 11.378 2.821 ( -4.569 5.014 2.077) 7.094 3.065 ( 2.604 -2.398 4.387) 5.637 3.284 ( -3.202 2.751 -0.382) 4.239 3.332 ( 1.343 -3.529 -2.885) 4.752 3.517 ( -3.672 -3.495 -8.035) 9.500 3.745 ( -0.614 -8.379 3.904) 9.264 4.779 ( -7.481 6.675 -3.604) 10.654 4.909 ( -2.738 3.399 -3.626) 5.674 5.007 ( -0.927 7.105 -7.717) 10.530 5.260 ( 4.820 3.552 4.563) 7.528 5.511 ( -4.238 5.441 -5.769) 8.991 5.589 ( 0.610 1.969 -4.519) 4.967 5.854 ( -4.602 -6.772 6.762) 10.619 5.923 ( -0.554 -6.920 1.961) 7.214 6.577 ( 0.922 -4.314 1.229) 4.580 6.703 ( 7.591 -8.857 2.629) 11.957 7.093 ( -6.000 0.889 3.907) 7.215 7.228 ( 1.404 -6.456 2.103) 6.933 7.705 ( -5.341 3.278 0.082) 6.268 7.805 ( -2.451 -1.476 2.379) 3.721 7.869 ( -3.115 -1.890 -1.773) 4.052 8.032 ( -5.555 -7.229 0.735) 9.146 8.237 ( 13.808 0.386 -0.431) 13.820 8.324 ( 9.109 -5.293 -3.060) 10.970 9.278 ( -1.733 0.894 -10.045) 10.233 9.359 ( -0.498 -2.764 -6.462) 7.046 9.636 ( 0.570 0.812 5.588) 5.676 9.709 ( 1.245 -0.846 6.176) 6.357 10.130 ( -0.122 2.231 -0.244) 2.247 10.199 ( 1.216 -0.055 1.627) 2.032 10.812 ( 1.934 6.366 -2.161) 6.995 10.897 ( 0.668 3.032 1.458) 3.430 11.077 ( 1.982 3.988 0.205) 4.458 11.176 ( 3.784 0.875 2.778) 4.775 11.840 ( -6.107 -0.730 1.250) 6.276 11.926 ( -4.295 3.303 -3.756) 6.592 12.118 ( -2.776 -3.616 -1.288) 4.737 12.421 ( 5.588 -9.507 0.538) 11.040 13.166 ( 0.257 9.637 -1.474) 9.752 13.308 ( 3.879 4.226 4.660) 7.391 13.669 ( -7.711 3.633 -1.084) 8.593 13.753 ( -1.237 0.740 -2.623) 2.993 14.706 ( 5.712 2.628 -4.793) 7.906 14.848 ( 6.284 -1.520 6.151) 8.923 15.475 ( 1.134 7.160 -3.571) 8.080 15.661 ( 2.077 0.075 3.809) 4.339 15.846 ( -1.636 -5.527 1.825) 6.046 16.000 ( 6.071 -10.698 0.944) 12.336 16.515 ( 4.845 -1.831 3.811) 6.430 16.519 ( 8.196 -1.013 2.814) 8.725 17.584 ( -5.381 11.869 -6.277) 14.465 17.756 ( -0.671 7.587 0.866) 7.665 18.804 ( -6.244 0.525 -9.811) 11.641 19.060 ( -3.629 -8.296 8.132) 12.171 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 2.254 12.876 -1.340) 13.141 1.862 ( 4.103 7.980 -5.005) 10.275 2.104 ( -4.635 4.053 1.532) 6.345 2.211 ( -7.327 7.161 2.573) 10.564 2.635 ( 0.358 -7.205 3.447) 7.995 2.687 ( -7.526 -2.310 3.995) 8.829 2.883 ( 1.962 2.832 7.621) 8.364 3.099 ( -3.151 -5.923 2.778) 7.261 3.221 ( -1.099 7.692 -3.087) 8.361 3.301 ( -1.850 -4.247 -3.039) 5.540 3.383 ( -2.634 -0.941 -4.132) 4.990 3.725 ( -3.870 -10.296 0.212) 11.001 4.629 ( -3.361 4.266 -6.171) 8.220 4.783 ( -2.518 -1.419 -9.965) 10.375 4.924 ( -1.164 9.465 -2.883) 9.962 5.341 ( -1.741 1.581 -7.711) 8.062 5.365 ( -1.945 0.020 1.842) 2.679 5.526 ( -2.953 -2.517 -3.126) 4.983 5.848 ( -5.920 -4.483 6.392) 9.798 5.885 ( -4.742 -5.393 -0.902) 7.238 6.608 ( 1.387 0.663 -0.108) 1.541 6.858 ( 7.305 -8.605 1.410) 11.375 7.082 ( -1.988 2.971 6.153) 7.116 7.265 ( -0.446 -5.758 2.964) 6.491 7.622 ( -4.645 4.025 -0.017) 6.146 7.785 ( -2.800 -2.991 3.238) 5.222 7.823 ( -1.336 -4.396 -0.670) 4.643 7.958 ( -4.332 -7.535 1.650) 8.847 8.385 ( 4.252 -1.218 -6.614) 7.957 8.454 ( 12.657 -1.843 -3.707) 13.316 9.184 ( 2.850 3.813 -5.797) 7.502 9.348 ( 6.488 -3.204 -5.739) 9.236 9.647 ( -4.243 3.163 3.174) 6.171 9.771 ( -1.206 -1.615 5.320) 5.689 10.142 ( 0.764 2.552 1.910) 3.277 10.251 ( 2.942 0.447 2.954) 4.194 10.888 ( 6.796 5.848 0.470) 8.977 10.945 ( 3.133 6.313 2.606) 7.514 11.125 ( 3.632 2.209 -1.401) 4.475 11.244 ( 1.174 -0.090 1.296) 1.751 11.748 ( -7.354 -3.911 0.533) 8.347 11.761 ( -7.113 -3.082 -2.378) 8.109 12.117 ( 1.137 4.978 0.230) 5.111 12.475 ( 2.001 -8.231 -1.446) 8.593 13.164 ( 0.503 10.857 -0.745) 10.894 13.397 ( 1.066 0.437 1.450) 1.852 13.512 ( -7.420 4.466 -2.391) 8.984 13.698 ( -1.394 -2.250 -2.058) 3.353 14.783 ( 6.887 5.656 -0.751) 8.944 15.061 ( 10.681 -3.914 6.387) 13.046 15.517 ( 4.478 7.924 0.670) 9.126 15.737 ( 7.120 3.832 -0.869) 8.132 15.855 ( -1.903 -4.998 3.616) 6.456 16.118 ( 6.582 -6.616 1.674) 9.481 16.645 ( 8.102 0.788 -0.586) 8.161 16.772 ( 12.112 -4.854 8.905) 15.798 17.410 ( -6.937 9.836 -4.961) 13.018 17.712 ( -2.697 2.085 -3.216) 4.686 18.555 ( -10.683 6.034 -9.144) 15.302 19.039 ( -8.202 -11.643 5.686) 15.335 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -4.663 11.300 -0.774) 12.248 1.959 ( 9.882 9.319 2.272) 13.772 2.069 ( -4.450 0.660 5.803) 7.343 2.154 ( -5.345 5.224 6.942) 10.201 2.561 ( -8.082 -3.259 0.921) 8.763 2.722 ( 2.701 -1.571 3.887) 4.987 2.886 ( -5.421 -0.644 -0.658) 5.499 3.102 ( -4.017 -5.055 3.570) 7.378 3.170 ( -0.585 2.471 -1.413) 2.906 3.236 ( -3.662 -0.654 1.102) 3.880 3.353 ( 3.105 5.749 -0.173) 6.537 3.665 ( -3.363 -10.111 1.463) 10.756 4.531 ( 1.381 1.209 -8.873) 9.061 4.633 ( 1.013 -2.595 -13.342) 13.630 4.896 ( -0.976 7.013 0.118) 7.081 5.156 ( -5.284 4.627 -9.325) 11.675 5.352 ( -4.643 -8.038 -0.264) 9.286 5.431 ( -4.880 -5.014 -1.345) 7.125 5.759 ( -7.242 -3.803 -2.335) 8.506 5.792 ( -7.554 -4.634 3.633) 9.578 6.630 ( 1.946 3.798 0.014) 4.268 6.964 ( 4.167 -9.493 0.035) 10.368 7.145 ( 3.154 3.073 2.719) 5.175 7.264 ( -0.885 -2.271 -1.625) 2.930 7.550 ( -4.046 4.328 -0.073) 5.925 7.782 ( -0.255 -3.815 -0.720) 3.891 7.819 ( -2.988 -3.012 6.777) 7.995 7.935 ( -3.095 -7.573 5.550) 9.886 8.329 ( -0.220 0.511 -7.569) 7.590 8.538 ( 6.118 -7.069 -8.486) 12.626 9.226 ( 6.053 5.854 -4.656) 9.622 9.352 ( 2.026 0.225 -7.247) 7.528 9.679 ( 2.451 5.063 7.724) 9.555 9.833 ( 2.282 -1.969 7.206) 7.811 10.214 ( 2.657 2.861 5.909) 7.082 10.365 ( 4.563 -0.376 5.215) 6.940 10.964 ( 4.617 6.947 -5.795) 10.157 11.049 ( 1.926 8.966 2.271) 9.447 11.157 ( 4.802 -1.107 -2.437) 5.498 11.261 ( 0.045 -0.453 2.051) 2.101 11.606 ( -6.738 -3.225 -2.341) 7.828 11.668 ( -6.128 -6.674 2.750) 9.469 12.148 ( 2.030 7.101 0.851) 7.434 12.472 ( -0.015 -6.003 -1.557) 6.202 13.154 ( -0.972 8.489 -0.499) 8.559 13.347 ( -3.701 -2.704 -2.315) 5.135 13.423 ( -1.607 5.850 -1.966) 6.378 13.662 ( -0.860 -2.853 -1.885) 3.526 14.920 ( 7.526 9.847 3.930) 13.002 15.332 ( 10.633 -5.915 8.185) 14.665 15.594 ( 2.781 3.848 3.241) 5.749 15.829 ( 1.910 -6.595 -2.899) 7.453 15.949 ( 13.180 11.406 2.520) 17.612 16.244 ( 5.547 -1.387 1.274) 5.858 16.734 ( 6.245 6.654 -6.303) 11.091 17.039 ( 6.251 -1.225 6.361) 9.002 17.304 ( -3.038 1.108 4.112) 5.232 17.620 ( 0.209 -8.728 -6.485) 10.876 18.252 ( -13.751 12.074 -7.764) 19.879 18.917 ( -11.938 -14.373 2.611) 18.865 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -8.752 7.128 -1.923) 11.450 1.898 ( -15.617 -1.308 0.451) 15.678 2.233 ( 13.036 9.659 8.323) 18.235 2.317 ( 4.604 3.262 13.879) 14.982 2.465 ( -3.287 -1.346 0.547) 3.593 2.751 ( -2.550 -5.227 -3.172) 6.624 2.826 ( 0.813 1.037 1.852) 2.273 3.019 ( -5.536 -3.084 0.406) 6.350 3.147 ( -1.252 1.477 -0.111) 1.939 3.214 ( -1.242 1.861 0.811) 2.380 3.483 ( 6.018 6.373 6.089) 10.672 3.651 ( -3.239 -5.990 5.606) 8.821 4.448 ( 2.150 -0.424 -11.987) 12.186 4.513 ( 1.952 -2.630 -13.595) 13.984 4.875 ( -0.754 1.110 -1.710) 2.174 4.995 ( -2.616 4.918 -5.274) 7.671 5.228 ( -6.680 -9.464 -2.147) 11.782 5.325 ( -7.140 -5.993 -0.399) 9.330 5.621 ( -4.987 -3.454 -2.573) 6.589 5.696 ( -7.621 -5.259 2.377) 9.559 6.689 ( 3.977 4.445 1.979) 6.284 6.986 ( -0.669 -7.388 -1.354) 7.540 7.213 ( 0.240 0.589 -3.444) 3.502 7.240 ( 4.088 -0.911 -0.422) 4.210 7.496 ( -0.455 6.089 -0.949) 6.179 7.754 ( -1.850 -3.639 -1.708) 4.425 7.848 ( -3.485 -0.664 7.711) 8.488 7.962 ( -2.655 -5.257 5.138) 7.816 8.255 ( -0.688 -2.879 -1.775) 3.452 8.494 ( 2.063 -10.198 -10.485) 14.771 9.228 ( 3.015 5.581 -5.765) 8.571 9.304 ( -0.568 1.461 -2.981) 3.368 9.872 ( 8.128 6.854 8.363) 13.527 10.004 ( 5.828 -0.076 7.897) 9.814 10.354 ( 4.011 2.859 8.360) 9.703 10.493 ( 2.950 -0.448 5.369) 6.142 10.901 ( -0.722 6.001 -9.397) 11.173 10.994 ( -3.811 5.016 -5.507) 8.367 11.247 ( 4.902 1.810 -0.581) 5.258 11.330 ( 5.202 -0.910 2.322) 5.769 11.468 ( -6.591 -2.213 -1.861) 7.198 11.611 ( -5.685 -6.507 3.774) 9.429 12.209 ( 3.145 6.890 2.407) 7.947 12.443 ( -1.178 -2.567 -1.813) 3.356 13.132 ( -0.886 3.203 0.322) 3.338 13.281 ( -2.065 -5.171 -2.199) 5.987 13.389 ( 0.823 8.459 -1.254) 8.591 13.610 ( -2.314 -0.726 -2.793) 3.699 15.113 ( 7.694 11.521 6.869) 15.463 15.494 ( 0.284 -3.535 2.315) 4.236 15.755 ( 7.141 -0.288 7.822) 10.595 15.845 ( 4.165 -4.769 1.953) 6.626 16.207 ( 11.915 11.106 -1.059) 16.323 16.297 ( 4.283 2.694 -4.713) 6.915 16.734 ( 5.804 10.139 -7.219) 13.733 17.126 ( -0.280 1.792 2.819) 3.352 17.281 ( -8.966 2.375 5.961) 11.026 17.666 ( 8.461 -21.352 -5.545) 23.628 17.974 ( -7.760 13.829 -1.819) 15.962 18.706 ( -14.514 -16.352 -0.607) 21.872 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.224 2.220 -1.065) 2.472 1.640 ( -13.038 -1.668 -0.297) 13.147 2.439 ( 2.959 -2.089 0.690) 3.687 2.476 ( -2.015 -1.711 3.969) 4.769 2.535 ( 8.672 9.359 7.100) 14.601 2.677 ( -2.812 5.419 -1.941) 6.406 2.882 ( 3.814 -4.265 1.173) 5.841 2.954 ( -3.637 -4.140 0.494) 5.532 3.142 ( 0.809 3.266 0.539) 3.407 3.185 ( -2.037 2.534 -1.251) 3.484 3.629 ( 4.158 4.803 3.398) 7.204 3.676 ( -2.839 0.812 5.697) 6.417 4.348 ( -0.027 -1.046 -5.643) 5.739 4.382 ( -0.321 -2.218 -10.006) 10.254 4.868 ( 3.108 -2.723 -1.106) 4.277 4.933 ( -2.904 -1.171 -1.202) 3.354 5.139 ( -0.044 -6.838 -1.256) 6.953 5.199 ( -6.855 -5.149 0.157) 8.575 5.561 ( 0.581 -3.947 -1.052) 4.126 5.604 ( -5.264 -4.954 0.987) 7.296 6.800 ( 4.930 2.826 3.839) 6.858 6.919 ( -3.623 -1.436 -3.665) 5.350 7.199 ( 1.333 -0.158 -0.067) 1.344 7.244 ( -1.641 -2.138 -1.968) 3.337 7.554 ( 7.180 4.103 -0.177) 8.272 7.674 ( -5.932 -0.651 -0.740) 6.014 7.883 ( -1.224 -0.410 5.669) 5.814 7.934 ( -1.546 -1.429 -2.476) 3.250 8.288 ( -0.357 -9.113 7.915) 12.076 8.391 ( 0.615 -11.129 -10.793) 15.515 9.233 ( 2.707 4.525 -1.888) 5.601 9.265 ( -1.655 2.848 -0.756) 3.380 10.078 ( 6.035 5.694 4.877) 9.624 10.136 ( 1.340 2.724 2.468) 3.913 10.514 ( 3.639 3.323 6.833) 8.425 10.567 ( -0.184 2.341 2.933) 3.757 10.793 ( 0.273 3.104 -5.739) 6.530 10.846 ( -4.876 1.939 -5.621) 7.690 11.299 ( 4.382 2.040 -2.707) 5.540 11.356 ( -5.706 0.899 1.402) 5.944 11.454 ( 7.186 -3.043 -0.817) 7.847 11.549 ( -6.675 -5.089 3.012) 8.918 12.300 ( 3.383 4.985 3.477) 6.956 12.387 ( -2.442 1.542 -2.922) 4.108 13.147 ( 1.183 -1.143 2.050) 2.628 13.210 ( -2.427 -4.218 -3.143) 5.793 13.434 ( 3.558 6.818 1.848) 7.910 13.526 ( -3.634 2.929 -3.010) 5.553 15.308 ( 6.291 7.714 6.295) 11.777 15.450 ( -4.178 0.859 -2.854) 5.132 15.885 ( 5.123 2.758 3.932) 7.022 15.995 ( 0.193 4.321 0.162) 4.329 16.232 ( -0.246 -1.720 8.406) 8.583 16.355 ( 5.841 -0.960 -12.290) 13.641 16.834 ( 11.847 10.391 -1.721) 15.852 17.027 ( -10.205 4.439 -1.387) 11.215 17.311 ( 0.567 4.554 11.516) 12.397 17.516 ( -7.370 4.477 -11.434) 14.321 18.120 ( 14.385 -13.334 5.330) 20.326 18.429 ( -15.744 -16.976 -3.474) 23.412 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.000 0.000 -0.000) 0.000 1.994 ( -0.000 0.000 0.000) 0.000 2.409 ( 0.000 -0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.469 ( -0.000 -0.000 0.000) 0.000 2.469 ( -0.000 0.000 -0.000) 0.000 2.947 ( -0.000 0.000 0.000) 0.000 2.947 ( -0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 -0.000) 0.000 3.310 ( -0.000 0.000 -0.000) 0.000 3.589 ( -0.000 -0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 4.978 ( -0.000 0.000 0.000) 0.000 4.978 ( -0.000 0.000 -0.000) 0.000 5.231 ( -0.000 0.000 0.000) 0.000 5.231 ( -0.000 0.000 0.000) 0.000 5.686 ( -0.000 -0.000 -0.000) 0.000 5.686 ( -0.000 -0.000 0.000) 0.000 5.759 ( 0.000 0.000 -0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 -0.000 0.000) 0.000 7.126 ( 0.000 0.000 -0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 -0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.001 -0.000 -0.000) 0.001 8.028 ( 0.000 0.000 -0.000) 0.000 8.061 ( -0.001 -0.000 0.000) 0.001 8.061 ( -0.000 0.000 0.000) 0.000 9.408 ( -0.000 -0.000 0.000) 0.000 9.408 ( -0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 -0.000) 0.000 9.592 ( 0.000 0.000 -0.000) 0.000 10.162 ( 0.000 0.000 -0.000) 0.000 10.162 ( -0.000 0.000 0.000) 0.000 10.899 ( -0.000 0.000 0.000) 0.000 10.899 ( -0.000 0.000 0.000) 0.000 11.119 ( -0.000 0.000 -0.000) 0.000 11.119 ( -0.000 0.000 0.000) 0.000 12.031 ( -0.001 -0.001 0.000) 0.001 12.031 ( -0.001 0.001 0.000) 0.001 12.109 ( 0.001 -0.001 0.000) 0.001 12.109 ( 0.001 0.001 0.000) 0.002 13.284 ( 0.000 0.000 0.000) 0.000 13.284 ( 0.000 0.000 0.000) 0.000 13.801 ( -0.000 -0.000 0.000) 0.000 13.801 ( -0.000 0.000 0.000) 0.000 14.731 ( 0.000 -0.000 -0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 15.616 ( -0.000 -0.000 0.000) 0.000 15.616 ( -0.000 0.000 0.000) 0.000 15.756 ( -0.000 -0.000 0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 16.435 ( -0.000 -0.000 0.000) 0.000 16.435 ( -0.000 0.000 0.000) 0.000 17.832 ( 0.000 -0.000 -0.000) 0.000 17.832 ( -0.000 0.000 -0.000) 0.000 18.928 ( -0.000 -0.000 0.000) 0.000 18.928 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 349 (166/170) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.599 -2.267 -3.671) 4.356 1.976 ( 0.599 2.268 -3.671) 4.356 2.333 ( -6.748 -8.005 -0.434) 10.479 2.333 ( -6.748 8.005 -0.434) 10.479 2.522 ( 2.225 -5.995 3.640) 7.358 2.522 ( 2.225 5.995 3.640) 7.358 2.964 ( -1.745 -6.624 5.112) 8.547 2.964 ( -1.745 6.624 5.112) 8.547 3.280 ( -0.191 -0.834 -3.855) 3.949 3.280 ( -0.191 0.834 -3.855) 3.949 3.580 ( -1.589 -6.890 -0.499) 7.088 3.580 ( -1.589 6.890 -0.499) 7.088 4.894 ( -4.295 -3.515 -6.949) 8.894 4.894 ( -4.295 3.515 -6.949) 8.894 5.215 ( -1.032 -8.325 -1.041) 8.454 5.215 ( -1.032 8.326 -1.041) 8.454 5.601 ( -3.758 -1.419 -5.519) 6.827 5.601 ( -3.758 1.419 -5.519) 6.827 5.801 ( -2.063 -2.892 6.186) 7.133 5.801 ( -2.063 2.893 6.185) 7.133 6.559 ( 6.520 -3.467 2.136) 7.687 6.559 ( 6.520 3.467 2.136) 7.687 7.130 ( -1.534 -2.984 3.262) 4.680 7.130 ( -1.534 2.984 3.262) 4.680 7.777 ( -3.181 -3.039 0.548) 4.433 7.777 ( -3.181 3.039 0.548) 4.433 7.881 ( -6.948 -5.067 0.127) 8.600 7.881 ( -6.948 5.068 0.127) 8.601 8.258 ( 13.423 -1.504 -1.907) 13.641 8.258 ( 13.423 1.505 -1.907) 13.641 9.311 ( -1.046 -1.982 -8.392) 8.686 9.311 ( -1.046 1.982 -8.392) 8.686 9.672 ( 0.846 -2.221 6.542) 6.960 9.672 ( 0.846 2.221 6.542) 6.960 10.175 ( 0.903 -1.921 0.682) 2.229 10.175 ( 0.903 1.921 0.682) 2.229 10.907 ( 2.063 -2.194 -0.166) 3.016 10.907 ( 2.063 2.194 -0.166) 3.016 11.151 ( 2.124 -2.791 1.509) 3.818 11.151 ( 2.124 2.791 1.509) 3.818 11.882 ( -9.092 -4.118 -2.652) 10.327 11.882 ( -9.092 4.118 -2.652) 10.327 12.215 ( 5.460 -9.343 0.816) 10.852 12.215 ( 5.460 9.343 0.816) 10.852 13.311 ( 1.725 -3.696 1.337) 4.292 13.311 ( 1.726 3.696 1.337) 4.292 13.740 ( -5.275 -2.307 -2.028) 6.105 13.740 ( -5.275 2.307 -2.029) 6.105 14.785 ( 5.843 -4.089 0.729) 7.169 14.785 ( 5.843 4.089 0.729) 7.169 15.636 ( 4.048 -5.470 -2.595) 7.283 15.636 ( 4.048 5.470 -2.595) 7.283 15.801 ( 2.641 -4.879 4.106) 6.902 15.801 ( 2.641 4.879 4.106) 6.902 16.503 ( 5.170 -0.514 4.052) 6.588 16.503 ( 5.170 0.514 4.052) 6.588 17.775 ( -3.223 -5.167 -5.096) 7.941 17.775 ( -3.223 5.167 -5.096) 7.941 18.891 ( -5.249 -7.008 1.005) 8.813 18.891 ( -5.249 7.008 1.005) 8.813 ======================= Grid point 351 (167/170) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 1.525 -1.225 -0.967) 2.182 1.958 ( 1.524 1.226 -0.967) 2.182 2.213 ( -7.234 -6.928 0.475) 10.028 2.213 ( -7.234 6.928 0.475) 10.028 2.597 ( -0.523 -4.717 5.624) 7.359 2.597 ( -0.523 4.717 5.624) 7.359 2.981 ( -3.088 -5.312 4.127) 7.402 2.981 ( -3.088 5.313 4.127) 7.402 3.246 ( -0.313 -0.713 -1.128) 1.370 3.246 ( -0.313 0.713 -1.127) 1.370 3.515 ( -2.731 -9.396 -3.156) 10.281 3.515 ( -2.731 9.396 -3.157) 10.281 4.724 ( -2.974 -4.003 -10.574) 11.691 4.724 ( -2.974 4.003 -10.574) 11.691 5.179 ( -1.885 -12.355 -1.115) 12.548 5.179 ( -1.885 12.355 -1.115) 12.548 5.459 ( -6.354 -4.485 -4.475) 8.973 5.459 ( -6.354 4.485 -4.475) 8.973 5.799 ( -5.247 -0.979 3.809) 6.557 5.799 ( -5.247 0.979 3.809) 6.557 6.689 ( 6.050 -6.722 0.537) 9.059 6.689 ( 6.050 6.722 0.537) 9.059 7.159 ( -0.102 -4.359 4.530) 6.287 7.159 ( -0.102 4.359 4.530) 6.287 7.724 ( -3.396 -5.044 0.273) 6.087 7.724 ( -3.396 5.044 0.273) 6.087 7.810 ( -3.258 -5.110 2.005) 6.384 7.810 ( -3.258 5.110 2.005) 6.384 8.403 ( 8.478 -2.324 -6.292) 10.810 8.403 ( 8.478 2.324 -6.292) 10.810 9.270 ( 5.545 -4.081 -4.818) 8.403 9.270 ( 5.545 4.081 -4.818) 8.403 9.718 ( -2.496 -3.274 4.917) 6.413 9.718 ( -2.496 3.274 4.917) 6.413 10.212 ( 1.897 -3.391 2.421) 4.578 10.212 ( 1.897 3.391 2.421) 4.578 10.984 ( 6.299 -2.390 0.998) 6.811 10.984 ( 6.299 2.390 0.998) 6.811 11.196 ( 1.241 -3.942 0.470) 4.159 11.196 ( 1.241 3.942 0.470) 4.159 11.712 ( -8.305 -0.916 -1.360) 8.466 11.712 ( -8.305 0.916 -1.361) 8.466 12.283 ( 2.845 -9.354 -0.384) 9.785 12.283 ( 2.845 9.355 -0.384) 9.786 13.336 ( -0.663 -5.439 -0.163) 5.481 13.336 ( -0.663 5.439 -0.163) 5.481 13.623 ( -4.462 -4.846 -2.176) 6.937 13.623 ( -4.462 4.846 -2.176) 6.938 14.934 ( 8.632 -7.584 4.009) 12.170 14.934 ( 8.632 7.584 4.009) 12.170 15.673 ( 3.340 -6.781 -2.470) 7.953 15.673 ( 3.340 6.781 -2.470) 7.953 15.941 ( 9.205 -9.208 3.198) 13.407 15.941 ( 9.205 9.208 3.198) 13.407 16.682 ( 8.501 -3.139 6.545) 11.178 16.682 ( 8.501 3.139 6.545) 11.178 17.620 ( -5.982 -8.801 -8.237) 13.457 17.620 ( -5.982 8.801 -8.237) 13.457 18.775 ( -9.919 -12.810 0.942) 16.228 18.775 ( -9.919 12.810 0.942) 16.229 ======================= Grid point 353 (168/170) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -4.921 -7.135 2.205) 8.944 1.989 ( -4.922 7.135 2.205) 8.944 2.137 ( -0.644 -5.595 6.100) 8.302 2.137 ( -0.644 5.595 6.100) 8.303 2.608 ( -2.596 -6.956 1.289) 7.535 2.608 ( -2.596 6.956 1.289) 7.535 2.958 ( -3.854 -6.325 2.139) 7.709 2.958 ( -3.854 6.325 2.138) 7.709 3.219 ( -1.925 -1.467 -0.265) 2.435 3.219 ( -1.925 1.467 -0.265) 2.435 3.485 ( 1.315 -6.917 1.693) 7.241 3.485 ( 1.315 6.917 1.693) 7.241 4.578 ( 0.887 -2.654 -12.266) 12.581 4.578 ( 0.887 2.655 -12.265) 12.581 5.116 ( -3.919 -12.092 -2.284) 12.915 5.116 ( -3.919 12.092 -2.284) 12.915 5.300 ( -6.842 -7.198 -3.416) 10.502 5.300 ( -6.842 7.198 -3.416) 10.502 5.716 ( -7.804 -1.166 1.468) 8.026 5.716 ( -7.805 1.166 1.468) 8.026 6.767 ( 3.393 -8.637 0.273) 9.284 6.767 ( 3.393 8.637 0.273) 9.284 7.211 ( 2.571 -2.939 -0.296) 3.916 7.211 ( 2.571 2.939 -0.295) 3.916 7.672 ( -2.179 -6.476 -1.022) 6.909 7.672 ( -2.179 6.476 -1.022) 6.909 7.817 ( -2.607 -2.986 7.508) 8.491 7.817 ( -2.607 2.986 7.509) 8.491 8.400 ( 2.677 -5.527 -9.423) 11.248 8.400 ( 2.677 5.527 -9.424) 11.248 9.321 ( 5.028 -3.075 -5.831) 8.291 9.321 ( 5.028 3.075 -5.831) 8.291 9.774 ( 2.629 -3.723 8.436) 9.588 9.774 ( 2.629 3.723 8.436) 9.588 10.301 ( 3.119 -4.680 5.655) 7.975 10.301 ( 3.119 4.680 5.655) 7.975 11.089 ( 5.072 -4.920 -4.617) 8.441 11.089 ( 5.072 4.920 -4.617) 8.441 11.208 ( 0.964 -5.200 2.141) 5.705 11.208 ( 0.964 5.200 2.141) 5.705 11.581 ( -6.843 -1.394 0.448) 6.998 11.581 ( -6.843 1.394 0.448) 6.998 12.317 ( 1.853 -8.246 -0.058) 8.452 12.317 ( 1.853 8.247 -0.058) 8.453 13.275 ( -3.993 -4.034 -2.295) 6.122 13.275 ( -3.993 4.034 -2.295) 6.122 13.565 ( -0.790 -6.362 -1.197) 6.521 13.565 ( -0.789 6.362 -1.197) 6.521 15.150 ( 8.529 -10.803 7.880) 15.860 15.150 ( 8.529 10.803 7.880) 15.860 15.695 ( 2.292 -5.659 -1.048) 6.195 15.695 ( 2.292 5.659 -1.048) 6.195 16.157 ( 13.648 -7.172 -0.562) 15.428 16.157 ( 13.648 7.172 -0.562) 15.428 16.908 ( 9.652 -9.296 5.165) 14.361 16.908 ( 9.652 9.296 5.165) 14.361 17.413 ( -7.513 -8.853 -6.756) 13.434 17.413 ( -7.513 8.853 -6.756) 13.434 18.584 ( -13.286 -16.859 -0.371) 21.468 18.584 ( -13.286 16.859 -0.371) 21.468 ======================= Grid point 355 (169/170) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -14.533 -7.540 -0.604) 16.383 1.798 ( -14.533 7.540 -0.604) 16.384 2.330 ( 5.891 -1.632 10.312) 11.987 2.330 ( 5.891 1.632 10.312) 11.987 2.585 ( 1.179 -9.670 0.454) 9.753 2.585 ( 1.179 9.671 0.454) 9.753 2.903 ( -3.810 -5.796 0.284) 6.941 2.903 ( -3.810 5.796 0.284) 6.942 3.201 ( 0.081 -2.659 -0.739) 2.761 3.201 ( 0.081 2.660 -0.739) 2.762 3.576 ( 2.189 -2.532 7.888) 8.569 3.576 ( 2.189 2.532 7.889) 8.569 4.464 ( 2.285 -1.730 -13.510) 13.810 4.464 ( 2.285 1.730 -13.510) 13.810 4.988 ( -6.503 -8.337 -4.022) 11.312 4.988 ( -6.502 8.337 -4.022) 11.312 5.177 ( -4.400 -7.461 -1.245) 8.751 5.177 ( -4.400 7.461 -1.245) 8.751 5.599 ( -6.769 -2.386 0.441) 7.190 5.599 ( -6.769 2.386 0.441) 7.190 6.823 ( 2.359 -7.612 1.498) 8.108 6.823 ( 2.359 7.612 1.498) 8.108 7.225 ( 2.073 -0.642 -3.898) 4.461 7.225 ( 2.073 0.642 -3.898) 4.461 7.636 ( -0.045 -6.759 -1.830) 7.002 7.636 ( -0.045 6.759 -1.830) 7.002 7.874 ( -3.346 -3.050 10.237) 11.194 7.874 ( -3.346 3.050 10.237) 11.194 8.309 ( 0.204 -6.742 -9.762) 11.865 8.309 ( 0.204 6.742 -9.762) 11.865 9.304 ( 1.489 -1.683 -4.583) 5.104 9.304 ( 1.489 1.683 -4.583) 5.104 9.976 ( 7.547 -2.928 8.639) 11.839 9.976 ( 7.547 2.928 8.639) 11.839 10.432 ( 3.252 -4.247 7.743) 9.411 10.432 ( 3.252 4.247 7.743) 9.411 11.005 ( -2.980 -3.333 -9.172) 10.203 11.005 ( -2.980 3.333 -9.172) 10.204 11.300 ( 5.451 -2.728 0.318) 6.104 11.300 ( 5.451 2.728 0.318) 6.104 11.492 ( -5.903 -4.270 2.609) 7.738 11.492 ( -5.903 4.270 2.609) 7.738 12.350 ( 1.647 -5.992 0.796) 6.265 12.350 ( 1.647 5.992 0.796) 6.265 13.188 ( -2.917 -3.363 -2.073) 4.911 13.188 ( -2.917 3.363 -2.073) 4.911 13.548 ( -0.032 -5.545 -0.890) 5.616 13.548 ( -0.032 5.545 -0.890) 5.616 15.353 ( 4.045 -10.048 6.957) 12.873 15.353 ( 4.045 10.048 6.957) 12.873 15.766 ( 5.848 -1.973 3.785) 7.240 15.766 ( 5.848 1.973 3.785) 7.240 16.325 ( 9.051 -0.905 -6.108) 10.957 16.325 ( 9.051 0.905 -6.108) 10.957 17.044 ( 4.688 -14.355 -6.881) 16.595 17.044 ( 4.688 14.355 -6.881) 16.595 17.317 ( -0.255 -6.076 7.604) 9.737 17.317 ( -0.255 6.076 7.604) 9.737 18.335 ( -14.231 -18.391 -2.337) 23.372 18.335 ( -14.231 18.391 -2.337) 23.372 ======================= Grid point 357 (170/170) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.07e-04 4.07e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -7.260 -3.144 -0.732) 7.945 1.589 ( -7.260 3.144 -0.732) 7.945 2.424 ( -0.537 -1.317 1.588) 2.132 2.424 ( -0.537 1.317 1.588) 2.132 2.717 ( 6.639 -5.844 4.882) 10.102 2.717 ( 6.639 5.845 4.882) 10.103 2.848 ( -2.832 -4.436 -0.452) 5.282 2.848 ( -2.832 4.436 -0.452) 5.282 3.185 ( -0.398 -1.409 -1.417) 2.037 3.185 ( -0.398 1.409 -1.417) 2.038 3.704 ( 1.468 -0.856 6.667) 6.880 3.704 ( 1.468 0.856 6.667) 6.880 4.346 ( 0.272 -0.950 -8.997) 9.051 4.346 ( 0.272 0.951 -8.996) 9.051 4.863 ( -3.301 -3.290 -1.542) 4.909 4.863 ( -3.301 3.290 -1.542) 4.909 5.122 ( -1.390 -3.061 -0.276) 3.373 5.122 ( -1.390 3.061 -0.276) 3.373 5.520 ( -2.633 -1.382 0.093) 2.975 5.520 ( -2.634 1.382 0.093) 2.975 6.874 ( 1.238 -3.256 1.309) 3.721 6.874 ( 1.238 3.256 1.309) 3.721 7.203 ( 0.243 -1.180 -2.318) 2.613 7.203 ( 0.243 1.181 -2.318) 2.613 7.628 ( 0.750 -3.047 -1.087) 3.321 7.628 ( 0.750 3.047 -1.087) 3.321 7.918 ( -2.221 -2.104 5.417) 6.221 7.918 ( -2.221 2.104 5.417) 6.221 8.220 ( 0.136 -3.631 -5.007) 6.187 8.220 ( 0.136 3.631 -5.007) 6.187 9.289 ( 0.584 -0.696 -1.352) 1.629 9.289 ( 0.584 0.696 -1.352) 1.629 10.153 ( 3.891 -1.329 3.564) 5.441 10.153 ( 3.890 1.329 3.564) 5.441 10.569 ( 2.350 -1.754 6.739) 7.349 10.569 ( 2.350 1.754 6.739) 7.349 10.844 ( -3.196 -1.681 -7.362) 8.200 10.844 ( -3.196 1.681 -7.362) 8.200 11.353 ( 2.611 -2.515 -2.751) 4.551 11.353 ( 2.611 2.515 -2.751) 4.551 11.453 ( -2.814 -3.597 3.361) 5.670 11.453 ( -2.814 3.597 3.361) 5.670 12.381 ( 0.763 -2.272 0.580) 2.466 12.381 ( 0.763 2.273 0.580) 2.467 13.138 ( -0.973 -1.489 -0.863) 1.977 13.138 ( -0.973 1.489 -0.863) 1.977 13.542 ( 0.052 -2.245 -0.294) 2.265 13.542 ( 0.052 2.245 -0.294) 2.265 15.428 ( 0.248 -3.238 1.691) 3.661 15.428 ( 0.248 3.238 1.691) 3.661 15.970 ( 7.129 -4.691 9.099) 12.475 15.970 ( 7.129 4.691 9.099) 12.475 16.283 ( -1.579 -4.872 -9.998) 11.234 16.283 ( -1.579 4.872 -9.998) 11.234 17.010 ( 1.134 -5.072 -3.237) 6.123 17.010 ( 1.134 5.072 -3.237) 6.123 17.480 ( 5.024 -9.487 6.137) 12.365 17.480 ( 5.024 9.487 6.137) 12.365 18.096 ( -8.776 -11.923 -2.660) 15.041 18.096 ( -8.776 11.923 -2.660) 15.041 =================== 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 3/31680 10.0 452.475 332.479 357.373 0.000 -99.773 0.000 3/31680 20.0 71.804 78.512 61.817 0.000 -7.631 0.000 3/31680 30.0 33.404 38.275 29.262 0.000 -2.541 0.000 3/31680 40.0 20.262 23.256 17.897 0.000 -1.203 0.000 3/31680 50.0 13.933 15.942 12.421 0.000 -0.676 0.000 3/31680 60.0 10.376 11.830 9.339 0.000 -0.425 0.000 3/31680 70.0 8.165 9.279 7.414 0.000 -0.291 0.000 3/31680 80.0 6.688 7.580 6.119 0.000 -0.212 0.000 3/31680 90.0 5.646 6.385 5.199 0.000 -0.162 0.000 3/31680 100.0 4.879 5.507 4.517 0.000 -0.128 0.000 3/31680 110.0 4.295 4.841 3.995 0.000 -0.105 0.000 3/31680 120.0 3.837 4.320 3.583 0.000 -0.087 0.000 3/31680 130.0 3.470 3.904 3.250 0.000 -0.074 0.000 3/31680 140.0 3.170 3.563 2.976 0.000 -0.064 0.000 3/31680 150.0 2.920 3.281 2.748 0.000 -0.056 0.000 3/31680 160.0 2.708 3.042 2.553 0.000 -0.050 0.000 3/31680 170.0 2.527 2.839 2.386 0.000 -0.044 0.000 3/31680 180.0 2.371 2.663 2.241 0.000 -0.040 0.000 3/31680 190.0 2.234 2.509 2.114 0.000 -0.036 0.000 3/31680 200.0 2.113 2.373 2.001 0.000 -0.033 0.000 3/31680 210.0 2.005 2.252 1.900 0.000 -0.030 0.000 3/31680 220.0 1.908 2.144 1.810 0.000 -0.028 0.000 3/31680 230.0 1.821 2.047 1.728 0.000 -0.026 0.000 3/31680 240.0 1.742 1.958 1.654 0.000 -0.024 0.000 3/31680 250.0 1.670 1.878 1.586 0.000 -0.023 0.000 3/31680 260.0 1.604 1.804 1.524 0.000 -0.021 0.000 3/31680 270.0 1.543 1.736 1.466 0.000 -0.020 0.000 3/31680 280.0 1.487 1.673 1.413 0.000 -0.019 0.000 3/31680 290.0 1.435 1.615 1.364 0.000 -0.018 0.000 3/31680 300.0 1.387 1.561 1.319 0.000 -0.017 0.000 3/31680 310.0 1.342 1.511 1.276 0.000 -0.016 0.000 3/31680 320.0 1.300 1.464 1.236 0.000 -0.016 0.000 3/31680 330.0 1.260 1.419 1.199 0.000 -0.015 0.000 3/31680 340.0 1.223 1.378 1.163 0.000 -0.014 0.000 3/31680 350.0 1.188 1.339 1.130 0.000 -0.014 0.000 3/31680 360.0 1.155 1.302 1.099 0.000 -0.013 0.000 3/31680 370.0 1.124 1.267 1.069 0.000 -0.013 0.000 3/31680 380.0 1.095 1.234 1.041 0.000 -0.012 0.000 3/31680 390.0 1.067 1.203 1.015 0.000 -0.012 0.000 3/31680 400.0 1.040 1.173 0.990 0.000 -0.011 0.000 3/31680 410.0 1.015 1.145 0.966 0.000 -0.011 0.000 3/31680 420.0 0.991 1.118 0.943 0.000 -0.011 0.000 3/31680 430.0 0.968 1.092 0.921 0.000 -0.010 0.000 3/31680 440.0 0.946 1.068 0.901 0.000 -0.010 0.000 3/31680 450.0 0.925 1.044 0.881 0.000 -0.010 0.000 3/31680 460.0 0.905 1.022 0.862 0.000 -0.009 0.000 3/31680 470.0 0.886 1.000 0.844 0.000 -0.009 0.000 3/31680 480.0 0.868 0.980 0.826 0.000 -0.009 0.000 3/31680 490.0 0.850 0.960 0.809 0.000 -0.009 0.000 3/31680 500.0 0.833 0.941 0.793 0.000 -0.009 0.000 3/31680 510.0 0.817 0.923 0.778 0.000 -0.008 0.000 3/31680 520.0 0.802 0.905 0.763 0.000 -0.008 0.000 3/31680 530.0 0.787 0.889 0.749 0.000 -0.008 0.000 3/31680 540.0 0.772 0.872 0.735 0.000 -0.008 0.000 3/31680 550.0 0.758 0.857 0.722 0.000 -0.008 0.000 3/31680 560.0 0.745 0.842 0.709 0.000 -0.007 0.000 3/31680 570.0 0.732 0.827 0.697 0.000 -0.007 0.000 3/31680 580.0 0.719 0.813 0.685 0.000 -0.007 0.000 3/31680 590.0 0.707 0.799 0.673 0.000 -0.007 0.000 3/31680 600.0 0.696 0.786 0.662 0.000 -0.007 0.000 3/31680 610.0 0.684 0.773 0.651 0.000 -0.007 0.000 3/31680 620.0 0.673 0.761 0.641 0.000 -0.007 0.000 3/31680 630.0 0.663 0.749 0.631 0.000 -0.006 0.000 3/31680 640.0 0.652 0.737 0.621 0.000 -0.006 0.000 3/31680 650.0 0.642 0.726 0.612 0.000 -0.006 0.000 3/31680 660.0 0.633 0.715 0.602 0.000 -0.006 0.000 3/31680 670.0 0.623 0.705 0.594 0.000 -0.006 0.000 3/31680 680.0 0.614 0.695 0.585 0.000 -0.006 0.000 3/31680 690.0 0.605 0.685 0.576 0.000 -0.006 0.000 3/31680 700.0 0.597 0.675 0.568 0.000 -0.006 0.000 3/31680 710.0 0.589 0.665 0.560 0.000 -0.006 0.000 3/31680 720.0 0.580 0.656 0.553 0.000 -0.006 0.000 3/31680 730.0 0.572 0.647 0.545 0.000 -0.005 0.000 3/31680 740.0 0.565 0.639 0.538 0.000 -0.005 0.000 3/31680 750.0 0.557 0.630 0.531 0.000 -0.005 0.000 3/31680 760.0 0.550 0.622 0.524 0.000 -0.005 0.000 3/31680 770.0 0.543 0.614 0.517 0.000 -0.005 0.000 3/31680 780.0 0.536 0.606 0.510 0.000 -0.005 0.000 3/31680 790.0 0.529 0.599 0.504 0.000 -0.005 0.000 3/31680 800.0 0.523 0.591 0.498 0.000 -0.005 0.000 3/31680 810.0 0.516 0.584 0.492 0.000 -0.005 0.000 3/31680 820.0 0.510 0.577 0.486 0.000 -0.005 0.000 3/31680 830.0 0.504 0.570 0.480 0.000 -0.005 0.000 3/31680 840.0 0.498 0.563 0.474 0.000 -0.005 0.000 3/31680 850.0 0.492 0.557 0.469 0.000 -0.005 0.000 3/31680 860.0 0.486 0.550 0.463 0.000 -0.005 0.000 3/31680 870.0 0.481 0.544 0.458 0.000 -0.004 0.000 3/31680 880.0 0.475 0.538 0.453 0.000 -0.004 0.000 3/31680 890.0 0.470 0.532 0.448 0.000 -0.004 0.000 3/31680 900.0 0.465 0.526 0.443 0.000 -0.004 0.000 3/31680 910.0 0.460 0.520 0.438 0.000 -0.004 0.000 3/31680 920.0 0.455 0.515 0.433 0.000 -0.004 0.000 3/31680 930.0 0.450 0.509 0.428 0.000 -0.004 0.000 3/31680 940.0 0.445 0.504 0.424 0.000 -0.004 0.000 3/31680 950.0 0.441 0.498 0.419 0.000 -0.004 0.000 3/31680 960.0 0.436 0.493 0.415 0.000 -0.004 0.000 3/31680 970.0 0.431 0.488 0.411 0.000 -0.004 0.000 3/31680 980.0 0.427 0.483 0.407 0.000 -0.004 0.000 3/31680 990.0 0.423 0.478 0.403 0.000 -0.004 0.000 3/31680 1000.0 0.419 0.474 0.399 0.000 -0.004 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1186.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:38:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|