----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:55:04]------------------------- 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 5.825665960003772 0.000000000000000 0.000000000000000 b 0.000000000000000 5.968747560000000 0.000000000000000 c -5.782973418714744 0.000000000000000 8.304683651418392 Atomic positions (fractional): *1 O 0.63308628858220 0.77641019573360 0.94593963550334 15.999 2 O 0.36691371141780 0.27641019573360 0.55406036449666 15.999 3 O 0.36691371141780 0.22358980426640 0.05406036449667 15.999 4 O 0.63308628858220 0.72358980426640 0.44593963550333 15.999 *5 O 0.17358662822580 0.03370794117966 0.26799332883913 15.999 6 O 0.82641337177420 0.53370794117966 0.23200667116087 15.999 7 O 0.82641337177420 0.96629205882034 0.73200667116087 15.999 8 O 0.17358662822580 0.46629205882034 0.76799332883913 15.999 *9 O 0.27049022531159 0.69075612161292 0.04732647832347 15.999 10 O 0.72950977468841 0.19075612161292 0.45267352167653 15.999 11 O 0.72950977468841 0.30924387838708 0.95267352167653 15.999 12 O 0.27049022531159 0.80924387838708 0.54732647832347 15.999 *13 Sr 0.26092169287371 0.04527138080501 0.74885079580927 87.620 14 Sr 0.73907830712629 0.54527138080501 0.75114920419073 87.620 15 Sr 0.73907830712629 0.95472861919499 0.25114920419073 87.620 16 Sr 0.26092169287371 0.45472861919499 0.24885079580927 87.620 *17 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 18 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 *19 Sm 0.00000000000000 0.50000000000000 0.50000000000000 150.360 20 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.825665960003772 0.000000000000000 0.000000000000000 b 0.000000000000000 5.968747560000000 0.000000000000000 c -5.782973418714744 0.000000000000000 8.304683651418392 Atomic positions (fractional): *1 O 0.63308628858220 0.77641019573360 0.94593963550334 15.999 > 1 2 O 0.36691371141780 0.27641019573360 0.55406036449666 15.999 > 2 3 O 0.36691371141780 0.22358980426640 0.05406036449667 15.999 > 3 4 O 0.63308628858220 0.72358980426640 0.44593963550333 15.999 > 4 *5 O 0.17358662822580 0.03370794117966 0.26799332883913 15.999 > 5 6 O 0.82641337177420 0.53370794117966 0.23200667116087 15.999 > 6 7 O 0.82641337177420 0.96629205882034 0.73200667116087 15.999 > 7 8 O 0.17358662822580 0.46629205882034 0.76799332883913 15.999 > 8 *9 O 0.27049022531159 0.69075612161292 0.04732647832347 15.999 > 9 10 O 0.72950977468841 0.19075612161292 0.45267352167653 15.999 > 10 11 O 0.72950977468841 0.30924387838708 0.95267352167653 15.999 > 11 12 O 0.27049022531159 0.80924387838708 0.54732647832347 15.999 > 12 *13 Sr 0.26092169287371 0.04527138080501 0.74885079580927 87.620 > 13 14 Sr 0.73907830712629 0.54527138080501 0.75114920419073 87.620 > 14 15 Sr 0.73907830712629 0.95472861919499 0.25114920419073 87.620 > 15 16 Sr 0.26092169287371 0.45472861919499 0.24885079580927 87.620 > 16 *17 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 17 18 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 18 *19 Sm 0.00000000000000 0.50000000000000 0.50000000000000 150.360 > 19 20 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.651331920007545 0.000000000000000 0.000000000000000 b 0.000000000000000 11.937495119999999 0.000000000000000 c -5.782973418714744 0.000000000000000 8.304683651418392 Atomic positions (fractional): *1 O 0.31654314429110 0.38820509786680 0.94593963550334 15.999 > 1 2 O 0.81654314429110 0.38820509786680 0.94593963550334 15.999 > 1 3 O 0.31654314429110 0.88820509786680 0.94593963550334 15.999 > 1 4 O 0.81654314429110 0.88820509786680 0.94593963550334 15.999 > 1 5 O 0.18345685570890 0.13820509786680 0.55406036449666 15.999 > 2 6 O 0.68345685570890 0.13820509786680 0.55406036449666 15.999 > 2 7 O 0.18345685570890 0.63820509786680 0.55406036449666 15.999 > 2 8 O 0.68345685570890 0.63820509786680 0.55406036449666 15.999 > 2 9 O 0.18345685570890 0.11179490213320 0.05406036449667 15.999 > 3 10 O 0.68345685570890 0.11179490213320 0.05406036449667 15.999 > 3 11 O 0.18345685570890 0.61179490213320 0.05406036449667 15.999 > 3 12 O 0.68345685570890 0.61179490213320 0.05406036449667 15.999 > 3 13 O 0.31654314429110 0.36179490213320 0.44593963550333 15.999 > 4 14 O 0.81654314429110 0.36179490213320 0.44593963550333 15.999 > 4 15 O 0.31654314429110 0.86179490213320 0.44593963550333 15.999 > 4 16 O 0.81654314429110 0.86179490213320 0.44593963550333 15.999 > 4 *17 O 0.08679331411290 0.01685397058983 0.26799332883913 15.999 > 5 18 O 0.58679331411290 0.01685397058983 0.26799332883913 15.999 > 5 19 O 0.08679331411290 0.51685397058983 0.26799332883913 15.999 > 5 20 O 0.58679331411290 0.51685397058983 0.26799332883913 15.999 > 5 21 O 0.41320668588710 0.26685397058983 0.23200667116087 15.999 > 6 22 O 0.91320668588710 0.26685397058983 0.23200667116087 15.999 > 6 23 O 0.41320668588710 0.76685397058983 0.23200667116087 15.999 > 6 24 O 0.91320668588710 0.76685397058983 0.23200667116087 15.999 > 6 25 O 0.41320668588710 0.48314602941017 0.73200667116087 15.999 > 7 26 O 0.91320668588710 0.48314602941017 0.73200667116087 15.999 > 7 27 O 0.41320668588710 0.98314602941017 0.73200667116087 15.999 > 7 28 O 0.91320668588710 0.98314602941017 0.73200667116087 15.999 > 7 29 O 0.08679331411290 0.23314602941017 0.76799332883913 15.999 > 8 30 O 0.58679331411290 0.23314602941017 0.76799332883913 15.999 > 8 31 O 0.08679331411290 0.73314602941017 0.76799332883913 15.999 > 8 32 O 0.58679331411290 0.73314602941017 0.76799332883913 15.999 > 8 *33 O 0.13524511265580 0.34537806080646 0.04732647832347 15.999 > 9 34 O 0.63524511265579 0.34537806080646 0.04732647832347 15.999 > 9 35 O 0.13524511265580 0.84537806080646 0.04732647832347 15.999 > 9 36 O 0.63524511265579 0.84537806080646 0.04732647832347 15.999 > 9 37 O 0.36475488734421 0.09537806080646 0.45267352167653 15.999 > 10 38 O 0.86475488734421 0.09537806080646 0.45267352167653 15.999 > 10 39 O 0.36475488734421 0.59537806080646 0.45267352167653 15.999 > 10 40 O 0.86475488734421 0.59537806080646 0.45267352167653 15.999 > 10 41 O 0.36475488734421 0.15462193919354 0.95267352167653 15.999 > 11 42 O 0.86475488734421 0.15462193919354 0.95267352167653 15.999 > 11 43 O 0.36475488734421 0.65462193919354 0.95267352167653 15.999 > 11 44 O 0.86475488734421 0.65462193919354 0.95267352167653 15.999 > 11 45 O 0.13524511265580 0.40462193919354 0.54732647832347 15.999 > 12 46 O 0.63524511265579 0.40462193919354 0.54732647832347 15.999 > 12 47 O 0.13524511265580 0.90462193919354 0.54732647832347 15.999 > 12 48 O 0.63524511265579 0.90462193919354 0.54732647832347 15.999 > 12 *49 Sr 0.13046084643685 0.02263569040250 0.74885079580927 87.620 > 13 50 Sr 0.63046084643685 0.02263569040250 0.74885079580927 87.620 > 13 51 Sr 0.13046084643685 0.52263569040250 0.74885079580927 87.620 > 13 52 Sr 0.63046084643685 0.52263569040250 0.74885079580927 87.620 > 13 53 Sr 0.36953915356315 0.27263569040250 0.75114920419073 87.620 > 14 54 Sr 0.86953915356315 0.27263569040250 0.75114920419073 87.620 > 14 55 Sr 0.36953915356315 0.77263569040250 0.75114920419073 87.620 > 14 56 Sr 0.86953915356315 0.77263569040250 0.75114920419073 87.620 > 14 57 Sr 0.36953915356315 0.47736430959750 0.25114920419073 87.620 > 15 58 Sr 0.86953915356315 0.47736430959750 0.25114920419073 87.620 > 15 59 Sr 0.36953915356315 0.97736430959750 0.25114920419073 87.620 > 15 60 Sr 0.86953915356315 0.97736430959750 0.25114920419073 87.620 > 15 61 Sr 0.13046084643685 0.22736430959750 0.24885079580927 87.620 > 16 62 Sr 0.63046084643685 0.22736430959750 0.24885079580927 87.620 > 16 63 Sr 0.13046084643685 0.72736430959750 0.24885079580927 87.620 > 16 64 Sr 0.63046084643685 0.72736430959750 0.24885079580927 87.620 > 16 *65 Nb 0.25000000000000 0.25000000000000 0.00000000000000 92.906 > 17 66 Nb 0.75000000000000 0.25000000000000 0.00000000000000 92.906 > 17 67 Nb 0.25000000000000 0.75000000000000 0.00000000000000 92.906 > 17 68 Nb 0.75000000000000 0.75000000000000 0.00000000000000 92.906 > 17 69 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 18 70 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 18 71 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 18 72 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 18 *73 Sm 0.00000000000000 0.25000000000000 0.50000000000000 150.360 > 19 74 Sm 0.50000000000000 0.25000000000000 0.50000000000000 150.360 > 19 75 Sm 0.00000000000000 0.75000000000000 0.50000000000000 150.360 > 19 76 Sm 0.50000000000000 0.75000000000000 0.50000000000000 150.360 > 19 77 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 20 78 Sm 0.50000000000000 0.00000000000000 0.00000000000000 150.360 > 20 79 Sm 0.00000000000000 0.50000000000000 0.00000000000000 150.360 > 20 80 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8006546 0.0000000 -0.0241152 0.0000000 4.8698033 0.0000000 -0.0241176 0.0000000 4.7578949 -------------------------- Born effective charges -------------------------- 1 O -2.9586313 -1.3570396 0.1840430 -1.4272135 -3.6135426 0.3233088 0.2156053 0.3712065 -1.8602374 2 O -2.9586313 1.3570396 0.1840430 1.4272135 -3.6135426 -0.3233088 0.2156053 -0.3712065 -1.8602374 3 O -2.9586313 -1.3570396 0.1840430 -1.4272135 -3.6135426 0.3233088 0.2156053 0.3712065 -1.8602374 4 O -2.9586313 1.3570396 0.1840430 1.4272135 -3.6135426 -0.3233088 0.2156053 -0.3712065 -1.8602374 5 O -2.0330025 -0.0247545 -0.3988312 -0.1116165 -1.7537631 0.1597420 -0.3588033 0.1426216 -4.6294720 6 O -2.0330025 0.0247545 -0.3988312 0.1116165 -1.7537631 -0.1597420 -0.3588033 -0.1426216 -4.6294720 7 O -2.0330025 -0.0247545 -0.3988312 -0.1116165 -1.7537631 0.1597420 -0.3588033 0.1426216 -4.6294720 8 O -2.0330025 0.0247545 -0.3988312 0.1116165 -1.7537631 -0.1597420 -0.3588033 -0.1426216 -4.6294720 9 O -3.4600190 1.4171451 0.2003804 1.3873224 -3.1236940 -0.0756685 0.2350610 -0.0798566 -1.8311949 10 O -3.4600190 -1.4171451 0.2003804 -1.3873224 -3.1236940 0.0756685 0.2350610 0.0798566 -1.8311949 11 O -3.4600190 1.4171451 0.2003804 1.3873224 -3.1236940 -0.0756685 0.2350610 -0.0798566 -1.8311949 12 O -3.4600190 -1.4171451 0.2003804 -1.3873224 -3.1236940 0.0756685 0.2350610 0.0798566 -1.8311949 13 Sr 2.5403586 -0.1387787 -0.0774086 -0.1819186 2.4853778 0.0547150 0.0304402 0.1192274 2.4019483 14 Sr 2.5403586 0.1387787 -0.0774086 0.1819186 2.4853778 -0.0547150 0.0304402 -0.1192274 2.4019483 15 Sr 2.5403586 -0.1387787 -0.0774086 -0.1819186 2.4853778 0.0547150 0.0304402 0.1192274 2.4019483 16 Sr 2.5403586 0.1387787 -0.0774086 0.1819186 2.4853778 -0.0547150 0.0304402 -0.1192274 2.4019483 17 Nb 7.0219418 0.3642274 -0.4888852 -0.0795621 7.0837388 0.1059361 0.2484892 0.1834077 7.0166657 18 Nb 7.0219418 -0.3642274 -0.4888852 0.0795621 7.0837388 -0.1059361 0.2484892 -0.1834077 7.0166657 19 Sm 4.8006465 0.4421607 0.6725181 -0.3058990 4.9275050 -0.1011101 -0.4930956 -0.2653676 4.8212462 20 Sm 4.8006465 -0.4421607 0.6725181 0.3058990 4.9275050 0.1011101 -0.4930956 0.2653676 4.8212462 ---------------------------------------------------------------------------- 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: 2.223 Solver_block: 200 / 640 - Time: 2.214 Solver_block: 300 / 640 - Time: 2.212 Solver_block: 400 / 640 - Time: 2.210 Solver_block: 500 / 640 - Time: 2.212 Solver_block: 600 / 640 - Time: 2.216 Solver_block: 640 / 640 - Time: 0.945 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.278 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:55:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:55:38]------------------------- 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 5.825665960003772 0.000000000000000 0.000000000000000 b 0.000000000000000 5.968747560000000 0.000000000000000 c -5.782973418714744 0.000000000000000 8.304683651418392 Atomic positions (fractional): 1 O 0.63308628858220 0.77641019573360 0.94593963550334 15.999 2 O 0.36691371141780 0.27641019573360 0.55406036449666 15.999 3 O 0.36691371141780 0.22358980426640 0.05406036449667 15.999 4 O 0.63308628858220 0.72358980426640 0.44593963550333 15.999 5 O 0.17358662822580 0.03370794117966 0.26799332883913 15.999 6 O 0.82641337177420 0.53370794117966 0.23200667116087 15.999 7 O 0.82641337177420 0.96629205882034 0.73200667116087 15.999 8 O 0.17358662822580 0.46629205882034 0.76799332883913 15.999 9 O 0.27049022531159 0.69075612161292 0.04732647832347 15.999 10 O 0.72950977468841 0.19075612161292 0.45267352167653 15.999 11 O 0.72950977468841 0.30924387838708 0.95267352167653 15.999 12 O 0.27049022531159 0.80924387838708 0.54732647832347 15.999 13 Sr 0.26092169287371 0.04527138080501 0.74885079580927 87.620 14 Sr 0.73907830712629 0.54527138080501 0.75114920419073 87.620 15 Sr 0.73907830712629 0.95472861919499 0.25114920419073 87.620 16 Sr 0.26092169287371 0.45472861919499 0.24885079580927 87.620 17 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 18 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 19 Sm 0.00000000000000 0.50000000000000 0.50000000000000 150.360 20 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.651331920007545 0.000000000000000 0.000000000000000 b 0.000000000000000 11.937495119999999 0.000000000000000 c -5.782973418714744 0.000000000000000 8.304683651418392 Atomic positions (fractional): 1 O 0.31654314429110 0.38820509786680 0.94593963550334 15.999 > 1 2 O 0.81654314429110 0.38820509786680 0.94593963550334 15.999 > 1 3 O 0.31654314429110 0.88820509786680 0.94593963550334 15.999 > 1 4 O 0.81654314429110 0.88820509786680 0.94593963550334 15.999 > 1 5 O 0.18345685570890 0.13820509786680 0.55406036449666 15.999 > 5 6 O 0.68345685570890 0.13820509786680 0.55406036449666 15.999 > 5 7 O 0.18345685570890 0.63820509786680 0.55406036449666 15.999 > 5 8 O 0.68345685570890 0.63820509786680 0.55406036449666 15.999 > 5 9 O 0.18345685570890 0.11179490213320 0.05406036449667 15.999 > 9 10 O 0.68345685570890 0.11179490213320 0.05406036449667 15.999 > 9 11 O 0.18345685570890 0.61179490213320 0.05406036449667 15.999 > 9 12 O 0.68345685570890 0.61179490213320 0.05406036449667 15.999 > 9 13 O 0.31654314429110 0.36179490213320 0.44593963550333 15.999 > 13 14 O 0.81654314429110 0.36179490213320 0.44593963550333 15.999 > 13 15 O 0.31654314429110 0.86179490213320 0.44593963550333 15.999 > 13 16 O 0.81654314429110 0.86179490213320 0.44593963550333 15.999 > 13 17 O 0.08679331411290 0.01685397058983 0.26799332883913 15.999 > 17 18 O 0.58679331411290 0.01685397058983 0.26799332883913 15.999 > 17 19 O 0.08679331411290 0.51685397058983 0.26799332883913 15.999 > 17 20 O 0.58679331411290 0.51685397058983 0.26799332883913 15.999 > 17 21 O 0.41320668588710 0.26685397058983 0.23200667116087 15.999 > 21 22 O 0.91320668588710 0.26685397058983 0.23200667116087 15.999 > 21 23 O 0.41320668588710 0.76685397058983 0.23200667116087 15.999 > 21 24 O 0.91320668588710 0.76685397058983 0.23200667116087 15.999 > 21 25 O 0.41320668588710 0.48314602941017 0.73200667116087 15.999 > 25 26 O 0.91320668588710 0.48314602941017 0.73200667116087 15.999 > 25 27 O 0.41320668588710 0.98314602941017 0.73200667116087 15.999 > 25 28 O 0.91320668588710 0.98314602941017 0.73200667116087 15.999 > 25 29 O 0.08679331411290 0.23314602941017 0.76799332883913 15.999 > 29 30 O 0.58679331411290 0.23314602941017 0.76799332883913 15.999 > 29 31 O 0.08679331411290 0.73314602941017 0.76799332883913 15.999 > 29 32 O 0.58679331411290 0.73314602941017 0.76799332883913 15.999 > 29 33 O 0.13524511265580 0.34537806080646 0.04732647832347 15.999 > 33 34 O 0.63524511265579 0.34537806080646 0.04732647832347 15.999 > 33 35 O 0.13524511265580 0.84537806080646 0.04732647832347 15.999 > 33 36 O 0.63524511265579 0.84537806080646 0.04732647832347 15.999 > 33 37 O 0.36475488734421 0.09537806080646 0.45267352167653 15.999 > 37 38 O 0.86475488734421 0.09537806080646 0.45267352167653 15.999 > 37 39 O 0.36475488734421 0.59537806080646 0.45267352167653 15.999 > 37 40 O 0.86475488734421 0.59537806080646 0.45267352167653 15.999 > 37 41 O 0.36475488734421 0.15462193919354 0.95267352167653 15.999 > 41 42 O 0.86475488734421 0.15462193919354 0.95267352167653 15.999 > 41 43 O 0.36475488734421 0.65462193919354 0.95267352167653 15.999 > 41 44 O 0.86475488734421 0.65462193919354 0.95267352167653 15.999 > 41 45 O 0.13524511265580 0.40462193919354 0.54732647832347 15.999 > 45 46 O 0.63524511265579 0.40462193919354 0.54732647832347 15.999 > 45 47 O 0.13524511265580 0.90462193919354 0.54732647832347 15.999 > 45 48 O 0.63524511265579 0.90462193919354 0.54732647832347 15.999 > 45 49 Sr 0.13046084643685 0.02263569040250 0.74885079580927 87.620 > 49 50 Sr 0.63046084643685 0.02263569040250 0.74885079580927 87.620 > 49 51 Sr 0.13046084643685 0.52263569040250 0.74885079580927 87.620 > 49 52 Sr 0.63046084643685 0.52263569040250 0.74885079580927 87.620 > 49 53 Sr 0.36953915356315 0.27263569040250 0.75114920419073 87.620 > 53 54 Sr 0.86953915356315 0.27263569040250 0.75114920419073 87.620 > 53 55 Sr 0.36953915356315 0.77263569040250 0.75114920419073 87.620 > 53 56 Sr 0.86953915356315 0.77263569040250 0.75114920419073 87.620 > 53 57 Sr 0.36953915356315 0.47736430959750 0.25114920419073 87.620 > 57 58 Sr 0.86953915356315 0.47736430959750 0.25114920419073 87.620 > 57 59 Sr 0.36953915356315 0.97736430959750 0.25114920419073 87.620 > 57 60 Sr 0.86953915356315 0.97736430959750 0.25114920419073 87.620 > 57 61 Sr 0.13046084643685 0.22736430959750 0.24885079580927 87.620 > 61 62 Sr 0.63046084643685 0.22736430959750 0.24885079580927 87.620 > 61 63 Sr 0.13046084643685 0.72736430959750 0.24885079580927 87.620 > 61 64 Sr 0.63046084643685 0.72736430959750 0.24885079580927 87.620 > 61 65 Nb 0.25000000000000 0.25000000000000 0.00000000000000 92.906 > 65 66 Nb 0.75000000000000 0.25000000000000 0.00000000000000 92.906 > 65 67 Nb 0.25000000000000 0.75000000000000 0.00000000000000 92.906 > 65 68 Nb 0.75000000000000 0.75000000000000 0.00000000000000 92.906 > 65 69 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 69 70 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 69 71 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 69 72 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 69 73 Sm 0.00000000000000 0.25000000000000 0.50000000000000 150.360 > 73 74 Sm 0.50000000000000 0.25000000000000 0.50000000000000 150.360 > 73 75 Sm 0.00000000000000 0.75000000000000 0.50000000000000 150.360 > 73 76 Sm 0.50000000000000 0.75000000000000 0.50000000000000 150.360 > 73 77 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 77 78 Sm 0.50000000000000 0.00000000000000 0.00000000000000 150.360 > 77 79 Sm 0.00000000000000 0.50000000000000 0.00000000000000 150.360 > 77 80 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8006546 0.0000000 -0.0241152 0.0000000 4.8698033 0.0000000 -0.0241176 0.0000000 4.7578949 -------------------------- Born effective charges -------------------------- 1 O -2.9586313 -1.3570396 0.1840430 -1.4272135 -3.6135426 0.3233088 0.2156053 0.3712065 -1.8602374 2 O -2.9586313 1.3570396 0.1840430 1.4272135 -3.6135426 -0.3233088 0.2156053 -0.3712065 -1.8602374 3 O -2.9586313 -1.3570396 0.1840430 -1.4272135 -3.6135426 0.3233088 0.2156053 0.3712065 -1.8602374 4 O -2.9586313 1.3570396 0.1840430 1.4272135 -3.6135426 -0.3233088 0.2156053 -0.3712065 -1.8602374 5 O -2.0330025 -0.0247545 -0.3988312 -0.1116165 -1.7537631 0.1597420 -0.3588033 0.1426216 -4.6294720 6 O -2.0330025 0.0247545 -0.3988312 0.1116165 -1.7537631 -0.1597420 -0.3588033 -0.1426216 -4.6294720 7 O -2.0330025 -0.0247545 -0.3988312 -0.1116165 -1.7537631 0.1597420 -0.3588033 0.1426216 -4.6294720 8 O -2.0330025 0.0247545 -0.3988312 0.1116165 -1.7537631 -0.1597420 -0.3588033 -0.1426216 -4.6294720 9 O -3.4600190 1.4171451 0.2003804 1.3873224 -3.1236940 -0.0756685 0.2350610 -0.0798566 -1.8311949 10 O -3.4600190 -1.4171451 0.2003804 -1.3873224 -3.1236940 0.0756685 0.2350610 0.0798566 -1.8311949 11 O -3.4600190 1.4171451 0.2003804 1.3873224 -3.1236940 -0.0756685 0.2350610 -0.0798566 -1.8311949 12 O -3.4600190 -1.4171451 0.2003804 -1.3873224 -3.1236940 0.0756685 0.2350610 0.0798566 -1.8311949 13 Sr 2.5403586 -0.1387787 -0.0774086 -0.1819186 2.4853778 0.0547150 0.0304402 0.1192274 2.4019483 14 Sr 2.5403586 0.1387787 -0.0774086 0.1819186 2.4853778 -0.0547150 0.0304402 -0.1192274 2.4019483 15 Sr 2.5403586 -0.1387787 -0.0774086 -0.1819186 2.4853778 0.0547150 0.0304402 0.1192274 2.4019483 16 Sr 2.5403586 0.1387787 -0.0774086 0.1819186 2.4853778 -0.0547150 0.0304402 -0.1192274 2.4019483 17 Nb 7.0219418 0.3642274 -0.4888852 -0.0795621 7.0837388 0.1059361 0.2484892 0.1834077 7.0166657 18 Nb 7.0219418 -0.3642274 -0.4888852 0.0795621 7.0837388 -0.1059361 0.2484892 -0.1834077 7.0166657 19 Sm 4.8006465 0.4421607 0.6725181 -0.3058990 4.9275050 -0.1011101 -0.4930956 -0.2653676 4.8212462 20 Sm 4.8006465 -0.4421607 0.6725181 0.3058990 4.9275050 0.1011101 -0.4930956 0.2653676 4.8212462 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000020 (xy) -0.00000020 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:55:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:55:54]------------------------- 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 5.825665960003772 0.000000000000000 0.000000000000000 b 0.000000000000000 5.968747560000000 0.000000000000000 c -5.782973418714744 0.000000000000000 8.304683651418392 Atomic positions (fractional): 1 O 0.63308628858220 0.77641019573360 0.94593963550334 15.999 2 O 0.36691371141780 0.27641019573360 0.55406036449666 15.999 3 O 0.36691371141780 0.22358980426640 0.05406036449667 15.999 4 O 0.63308628858220 0.72358980426640 0.44593963550333 15.999 5 O 0.17358662822580 0.03370794117966 0.26799332883913 15.999 6 O 0.82641337177420 0.53370794117966 0.23200667116087 15.999 7 O 0.82641337177420 0.96629205882034 0.73200667116087 15.999 8 O 0.17358662822580 0.46629205882034 0.76799332883913 15.999 9 O 0.27049022531159 0.69075612161292 0.04732647832347 15.999 10 O 0.72950977468841 0.19075612161292 0.45267352167653 15.999 11 O 0.72950977468841 0.30924387838708 0.95267352167653 15.999 12 O 0.27049022531159 0.80924387838708 0.54732647832347 15.999 13 Sr 0.26092169287371 0.04527138080501 0.74885079580927 87.620 14 Sr 0.73907830712629 0.54527138080501 0.75114920419073 87.620 15 Sr 0.73907830712629 0.95472861919499 0.25114920419073 87.620 16 Sr 0.26092169287371 0.45472861919499 0.24885079580927 87.620 17 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 18 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 19 Sm 0.00000000000000 0.50000000000000 0.50000000000000 150.360 20 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.651331920007545 0.000000000000000 0.000000000000000 b 0.000000000000000 11.937495119999999 0.000000000000000 c -5.782973418714744 0.000000000000000 8.304683651418392 Atomic positions (fractional): 1 O 0.31654314429110 0.38820509786680 0.94593963550334 15.999 > 1 2 O 0.81654314429110 0.38820509786680 0.94593963550334 15.999 > 1 3 O 0.31654314429110 0.88820509786680 0.94593963550334 15.999 > 1 4 O 0.81654314429110 0.88820509786680 0.94593963550334 15.999 > 1 5 O 0.18345685570890 0.13820509786680 0.55406036449666 15.999 > 5 6 O 0.68345685570890 0.13820509786680 0.55406036449666 15.999 > 5 7 O 0.18345685570890 0.63820509786680 0.55406036449666 15.999 > 5 8 O 0.68345685570890 0.63820509786680 0.55406036449666 15.999 > 5 9 O 0.18345685570890 0.11179490213320 0.05406036449667 15.999 > 9 10 O 0.68345685570890 0.11179490213320 0.05406036449667 15.999 > 9 11 O 0.18345685570890 0.61179490213320 0.05406036449667 15.999 > 9 12 O 0.68345685570890 0.61179490213320 0.05406036449667 15.999 > 9 13 O 0.31654314429110 0.36179490213320 0.44593963550333 15.999 > 13 14 O 0.81654314429110 0.36179490213320 0.44593963550333 15.999 > 13 15 O 0.31654314429110 0.86179490213320 0.44593963550333 15.999 > 13 16 O 0.81654314429110 0.86179490213320 0.44593963550333 15.999 > 13 17 O 0.08679331411290 0.01685397058983 0.26799332883913 15.999 > 17 18 O 0.58679331411290 0.01685397058983 0.26799332883913 15.999 > 17 19 O 0.08679331411290 0.51685397058983 0.26799332883913 15.999 > 17 20 O 0.58679331411290 0.51685397058983 0.26799332883913 15.999 > 17 21 O 0.41320668588710 0.26685397058983 0.23200667116087 15.999 > 21 22 O 0.91320668588710 0.26685397058983 0.23200667116087 15.999 > 21 23 O 0.41320668588710 0.76685397058983 0.23200667116087 15.999 > 21 24 O 0.91320668588710 0.76685397058983 0.23200667116087 15.999 > 21 25 O 0.41320668588710 0.48314602941017 0.73200667116087 15.999 > 25 26 O 0.91320668588710 0.48314602941017 0.73200667116087 15.999 > 25 27 O 0.41320668588710 0.98314602941017 0.73200667116087 15.999 > 25 28 O 0.91320668588710 0.98314602941017 0.73200667116087 15.999 > 25 29 O 0.08679331411290 0.23314602941017 0.76799332883913 15.999 > 29 30 O 0.58679331411290 0.23314602941017 0.76799332883913 15.999 > 29 31 O 0.08679331411290 0.73314602941017 0.76799332883913 15.999 > 29 32 O 0.58679331411290 0.73314602941017 0.76799332883913 15.999 > 29 33 O 0.13524511265580 0.34537806080646 0.04732647832347 15.999 > 33 34 O 0.63524511265579 0.34537806080646 0.04732647832347 15.999 > 33 35 O 0.13524511265580 0.84537806080646 0.04732647832347 15.999 > 33 36 O 0.63524511265579 0.84537806080646 0.04732647832347 15.999 > 33 37 O 0.36475488734421 0.09537806080646 0.45267352167653 15.999 > 37 38 O 0.86475488734421 0.09537806080646 0.45267352167653 15.999 > 37 39 O 0.36475488734421 0.59537806080646 0.45267352167653 15.999 > 37 40 O 0.86475488734421 0.59537806080646 0.45267352167653 15.999 > 37 41 O 0.36475488734421 0.15462193919354 0.95267352167653 15.999 > 41 42 O 0.86475488734421 0.15462193919354 0.95267352167653 15.999 > 41 43 O 0.36475488734421 0.65462193919354 0.95267352167653 15.999 > 41 44 O 0.86475488734421 0.65462193919354 0.95267352167653 15.999 > 41 45 O 0.13524511265580 0.40462193919354 0.54732647832347 15.999 > 45 46 O 0.63524511265579 0.40462193919354 0.54732647832347 15.999 > 45 47 O 0.13524511265580 0.90462193919354 0.54732647832347 15.999 > 45 48 O 0.63524511265579 0.90462193919354 0.54732647832347 15.999 > 45 49 Sr 0.13046084643685 0.02263569040250 0.74885079580927 87.620 > 49 50 Sr 0.63046084643685 0.02263569040250 0.74885079580927 87.620 > 49 51 Sr 0.13046084643685 0.52263569040250 0.74885079580927 87.620 > 49 52 Sr 0.63046084643685 0.52263569040250 0.74885079580927 87.620 > 49 53 Sr 0.36953915356315 0.27263569040250 0.75114920419073 87.620 > 53 54 Sr 0.86953915356315 0.27263569040250 0.75114920419073 87.620 > 53 55 Sr 0.36953915356315 0.77263569040250 0.75114920419073 87.620 > 53 56 Sr 0.86953915356315 0.77263569040250 0.75114920419073 87.620 > 53 57 Sr 0.36953915356315 0.47736430959750 0.25114920419073 87.620 > 57 58 Sr 0.86953915356315 0.47736430959750 0.25114920419073 87.620 > 57 59 Sr 0.36953915356315 0.97736430959750 0.25114920419073 87.620 > 57 60 Sr 0.86953915356315 0.97736430959750 0.25114920419073 87.620 > 57 61 Sr 0.13046084643685 0.22736430959750 0.24885079580927 87.620 > 61 62 Sr 0.63046084643685 0.22736430959750 0.24885079580927 87.620 > 61 63 Sr 0.13046084643685 0.72736430959750 0.24885079580927 87.620 > 61 64 Sr 0.63046084643685 0.72736430959750 0.24885079580927 87.620 > 61 65 Nb 0.25000000000000 0.25000000000000 0.00000000000000 92.906 > 65 66 Nb 0.75000000000000 0.25000000000000 0.00000000000000 92.906 > 65 67 Nb 0.25000000000000 0.75000000000000 0.00000000000000 92.906 > 65 68 Nb 0.75000000000000 0.75000000000000 0.00000000000000 92.906 > 65 69 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 69 70 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 69 71 Nb 0.25000000000000 0.50000000000000 0.50000000000000 92.906 > 69 72 Nb 0.75000000000000 0.50000000000000 0.50000000000000 92.906 > 69 73 Sm 0.00000000000000 0.25000000000000 0.50000000000000 150.360 > 73 74 Sm 0.50000000000000 0.25000000000000 0.50000000000000 150.360 > 73 75 Sm 0.00000000000000 0.75000000000000 0.50000000000000 150.360 > 73 76 Sm 0.50000000000000 0.75000000000000 0.50000000000000 150.360 > 73 77 Sm 0.00000000000000 0.00000000000000 0.00000000000000 150.360 > 77 78 Sm 0.50000000000000 0.00000000000000 0.00000000000000 150.360 > 77 79 Sm 0.00000000000000 0.50000000000000 0.00000000000000 150.360 > 77 80 Sm 0.50000000000000 0.50000000000000 0.00000000000000 150.360 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8006546 0.0000000 -0.0241152 0.0000000 4.8698033 0.0000000 -0.0241176 0.0000000 4.7578949 -------------------------- Born effective charges -------------------------- 1 O -2.9586313 -1.3570396 0.1840430 -1.4272135 -3.6135426 0.3233088 0.2156053 0.3712065 -1.8602374 2 O -2.9586313 1.3570396 0.1840430 1.4272135 -3.6135426 -0.3233088 0.2156053 -0.3712065 -1.8602374 3 O -2.9586313 -1.3570396 0.1840430 -1.4272135 -3.6135426 0.3233088 0.2156053 0.3712065 -1.8602374 4 O -2.9586313 1.3570396 0.1840430 1.4272135 -3.6135426 -0.3233088 0.2156053 -0.3712065 -1.8602374 5 O -2.0330025 -0.0247545 -0.3988312 -0.1116165 -1.7537631 0.1597420 -0.3588033 0.1426216 -4.6294720 6 O -2.0330025 0.0247545 -0.3988312 0.1116165 -1.7537631 -0.1597420 -0.3588033 -0.1426216 -4.6294720 7 O -2.0330025 -0.0247545 -0.3988312 -0.1116165 -1.7537631 0.1597420 -0.3588033 0.1426216 -4.6294720 8 O -2.0330025 0.0247545 -0.3988312 0.1116165 -1.7537631 -0.1597420 -0.3588033 -0.1426216 -4.6294720 9 O -3.4600190 1.4171451 0.2003804 1.3873224 -3.1236940 -0.0756685 0.2350610 -0.0798566 -1.8311949 10 O -3.4600190 -1.4171451 0.2003804 -1.3873224 -3.1236940 0.0756685 0.2350610 0.0798566 -1.8311949 11 O -3.4600190 1.4171451 0.2003804 1.3873224 -3.1236940 -0.0756685 0.2350610 -0.0798566 -1.8311949 12 O -3.4600190 -1.4171451 0.2003804 -1.3873224 -3.1236940 0.0756685 0.2350610 0.0798566 -1.8311949 13 Sr 2.5403586 -0.1387787 -0.0774086 -0.1819186 2.4853778 0.0547150 0.0304402 0.1192274 2.4019483 14 Sr 2.5403586 0.1387787 -0.0774086 0.1819186 2.4853778 -0.0547150 0.0304402 -0.1192274 2.4019483 15 Sr 2.5403586 -0.1387787 -0.0774086 -0.1819186 2.4853778 0.0547150 0.0304402 0.1192274 2.4019483 16 Sr 2.5403586 0.1387787 -0.0774086 0.1819186 2.4853778 -0.0547150 0.0304402 -0.1192274 2.4019483 17 Nb 7.0219418 0.3642274 -0.4888852 -0.0795621 7.0837388 0.1059361 0.2484892 0.1834077 7.0166657 18 Nb 7.0219418 -0.3642274 -0.4888852 0.0795621 7.0837388 -0.1059361 0.2484892 -0.1834077 7.0166657 19 Sm 4.8006465 0.4421607 0.6725181 -0.3058990 4.9275050 -0.1011101 -0.4930956 -0.2653676 4.8212462 20 Sm 4.8006465 -0.4421607 0.6725181 0.3058990 4.9275050 0.1011101 -0.4930956 0.2653676 4.8212462 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 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: 0.63, Number of G-points: 317, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 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 2.341 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.454 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.104 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.951 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 10.025 ( 0.000 0.000 0.000) 0.000 10.419 ( 0.000 0.000 0.000) 0.000 10.760 ( 0.000 0.000 0.000) 0.000 10.865 ( 0.000 0.000 0.000) 0.000 11.626 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 12.041 ( 0.000 0.000 0.000) 0.000 12.364 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 13.676 ( 0.000 0.000 0.000) 0.000 13.908 ( 0.000 0.000 0.000) 0.000 14.235 ( 0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 14.962 ( 0.000 0.000 0.000) 0.000 15.874 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 16.323 ( 0.000 0.000 0.000) 0.000 19.911 ( 0.000 0.000 0.000) 0.000 22.288 ( 0.000 0.000 0.000) 0.000 22.625 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 7.668 0.000 35.474) 36.294 0.772 ( 29.042 0.000 19.921) 35.217 1.216 ( 50.216 0.000 26.249) 56.662 2.286 ( -1.031 0.000 -9.981) 10.034 2.500 ( -4.670 0.000 -2.010) 5.084 2.719 ( 4.423 0.000 -1.200) 4.582 3.020 ( -0.300 0.000 -6.880) 6.886 3.118 ( -0.323 0.000 -6.615) 6.623 3.166 ( -17.190 0.000 7.634) 18.809 3.300 ( -2.202 0.000 3.413) 4.061 3.370 ( -3.117 0.000 16.493) 16.785 3.488 ( -12.032 0.000 5.480) 13.221 3.517 ( -4.124 0.000 13.395) 14.016 3.648 ( -2.017 0.000 2.199) 2.984 4.047 ( -1.850 0.000 0.105) 1.853 4.181 ( -3.761 0.000 -3.190) 4.932 4.259 ( -3.683 0.000 -5.368) 6.510 4.451 ( 1.350 0.000 -1.281) 1.861 4.582 ( 14.456 0.000 -0.625) 14.469 4.814 ( 4.411 0.000 -2.047) 4.862 4.916 ( 4.682 0.000 12.057) 12.934 5.254 ( -11.807 0.000 -15.297) 19.324 5.347 ( 20.970 0.000 6.652) 22.000 5.563 ( 0.252 0.000 0.311) 0.401 5.733 ( 0.449 0.000 -1.693) 1.752 5.827 ( 8.015 0.000 3.323) 8.677 6.400 ( -11.623 0.000 -4.655) 12.520 6.582 ( 7.191 0.000 8.177) 10.889 6.591 ( -0.553 0.000 -2.257) 2.324 7.102 ( -0.778 0.000 -0.359) 0.857 7.160 ( 14.470 0.000 -15.034) 20.866 7.518 ( 3.822 0.000 12.315) 12.895 8.040 ( 5.522 0.000 1.685) 5.773 8.237 ( 0.060 0.000 0.499) 0.503 8.390 ( -5.186 0.000 -4.866) 7.112 8.960 ( -0.424 0.000 2.217) 2.257 9.310 ( -1.049 0.000 2.631) 2.832 9.448 ( -3.713 0.000 3.866) 5.360 9.887 ( -3.036 0.000 -12.934) 13.286 10.436 ( -1.110 0.000 13.240) 13.286 10.592 ( -6.288 0.000 -13.624) 15.005 10.930 ( -4.049 0.000 12.008) 12.672 11.494 ( -11.014 0.000 -2.988) 11.412 11.836 ( 2.814 0.000 -10.904) 11.262 12.030 ( 16.009 0.000 -9.152) 18.440 12.106 ( 8.410 0.000 -0.854) 8.454 12.461 ( 10.027 0.000 -0.924) 10.069 12.871 ( -0.355 0.000 -3.366) 3.384 13.778 ( 4.554 0.000 5.361) 7.035 13.993 ( 8.529 0.000 0.248) 8.533 14.341 ( 7.453 0.000 6.873) 10.138 14.622 ( -2.215 0.000 12.571) 12.765 14.958 ( 1.980 0.000 -2.759) 3.396 15.841 ( -2.140 0.000 -2.386) 3.206 16.056 ( -5.067 0.000 -0.329) 5.078 16.290 ( -2.563 0.000 -1.755) 3.106 20.012 ( 8.812 0.000 3.584) 9.513 20.365 ( 6.590 0.000 -3.958) 7.688 22.283 ( -0.144 0.000 -0.821) 0.834 22.591 ( -1.140 0.000 -4.112) 4.267 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 11.543 0.000 29.229) 31.426 1.448 ( 23.126 0.000 17.552) 29.033 2.088 ( -4.239 0.000 -12.456) 13.158 2.247 ( 27.575 0.000 13.136) 30.544 2.387 ( 4.409 0.000 -3.370) 5.549 2.692 ( -9.129 0.000 -10.013) 13.550 2.910 ( 4.697 0.000 -7.996) 9.273 2.930 ( -3.847 0.000 4.503) 5.923 3.105 ( 0.486 0.000 0.855) 0.983 3.236 ( -20.971 0.000 3.426) 21.249 3.387 ( -16.457 0.000 7.365) 18.030 3.449 ( -3.524 0.000 18.888) 19.214 3.530 ( 0.579 0.000 -3.716) 3.761 3.808 ( 10.717 0.000 14.579) 18.094 4.043 ( 2.215 0.000 -4.214) 4.760 4.105 ( 0.145 0.000 0.218) 0.262 4.198 ( 1.749 0.000 -1.104) 2.068 4.460 ( 3.768 0.000 -1.672) 4.122 4.874 ( -14.421 0.000 -6.386) 15.772 4.876 ( 13.771 0.000 -0.710) 13.789 4.910 ( 11.917 0.000 0.140) 11.918 5.189 ( 9.262 0.000 8.680) 12.693 5.577 ( 0.893 0.000 5.708) 5.778 5.596 ( -8.687 0.000 -7.942) 11.771 5.720 ( 9.894 0.000 1.451) 10.000 6.100 ( 16.200 0.000 6.292) 17.379 6.178 ( -8.584 0.000 -1.036) 8.646 6.529 ( -3.253 0.000 -2.849) 4.324 6.821 ( 9.073 0.000 6.980) 11.448 7.030 ( -7.776 0.000 -0.224) 7.780 7.181 ( 8.968 0.000 -17.380) 19.557 7.729 ( 7.506 0.000 5.190) 9.126 8.091 ( -1.651 0.000 -1.471) 2.211 8.228 ( -6.216 0.000 -4.674) 7.777 8.425 ( 17.424 0.000 8.871) 19.552 8.994 ( 0.705 0.000 3.156) 3.234 9.332 ( 1.309 0.000 0.049) 1.310 9.418 ( -1.895 0.000 1.149) 2.216 9.686 ( -3.358 0.000 -10.400) 10.929 10.272 ( -8.864 0.000 -15.346) 17.722 10.545 ( -3.798 0.000 10.753) 11.404 10.995 ( -7.194 0.000 13.731) 15.501 11.248 ( -9.993 0.000 -5.514) 11.414 11.730 ( -3.137 0.000 -5.963) 6.738 12.226 ( 11.349 0.000 1.695) 11.475 12.293 ( 11.872 0.000 1.538) 11.971 12.627 ( 10.143 0.000 -1.969) 10.333 12.823 ( 1.454 0.000 -5.576) 5.763 13.987 ( 12.715 0.000 4.569) 13.511 14.170 ( 13.079 0.000 -2.207) 13.264 14.625 ( 11.088 0.000 11.434) 15.927 14.779 ( 7.656 0.000 5.312) 9.318 14.993 ( 6.150 0.000 -1.808) 6.410 15.744 ( -4.702 0.000 -4.023) 6.188 15.915 ( -10.787 0.000 -0.444) 10.797 16.191 ( -5.664 0.000 -3.123) 6.468 20.272 ( 14.068 0.000 5.610) 15.146 20.460 ( 8.640 0.000 -2.244) 8.927 22.256 ( -1.229 0.000 -1.975) 2.326 22.489 ( -2.669 0.000 -7.208) 7.686 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 10.816 0.000 20.843) 23.482 1.896 ( -1.486 0.000 -6.149) 6.326 1.981 ( 14.704 0.000 12.238) 19.130 2.188 ( -3.502 0.000 -7.740) 8.495 2.389 ( -8.429 0.000 -6.782) 10.819 2.585 ( 5.706 0.000 -9.263) 10.880 2.902 ( -20.594 0.000 1.668) 20.662 2.929 ( -12.116 0.000 -10.779) 16.216 2.973 ( 0.057 0.000 2.372) 2.372 3.179 ( 1.223 0.000 6.301) 6.419 3.209 ( -3.547 0.000 6.413) 7.328 3.497 ( -6.151 0.000 1.152) 6.258 3.641 ( 13.290 0.000 11.199) 17.379 4.097 ( 4.096 0.000 4.813) 6.320 4.155 ( 1.625 0.000 4.661) 4.936 4.237 ( 1.134 0.000 2.268) 2.535 4.318 ( 25.236 0.000 13.251) 28.503 4.549 ( 4.973 0.000 2.884) 5.749 4.629 ( -6.405 0.000 -1.805) 6.654 4.978 ( 11.200 0.000 -7.626) 13.550 5.237 ( 16.624 0.000 3.170) 16.923 5.278 ( -10.032 0.000 -5.096) 11.252 5.437 ( 4.463 0.000 1.155) 4.610 5.676 ( 1.130 0.000 6.123) 6.226 5.812 ( 2.052 0.000 0.040) 2.053 6.082 ( -4.347 0.000 2.939) 5.248 6.329 ( -0.851 0.000 3.273) 3.382 6.407 ( -6.620 0.000 -3.192) 7.349 6.859 ( -7.760 0.000 -2.912) 8.288 7.030 ( -0.428 0.000 -20.087) 20.091 7.103 ( 13.291 0.000 9.555) 16.370 7.887 ( 5.859 0.000 1.915) 6.164 8.016 ( -3.220 0.000 -2.978) 4.386 8.073 ( -6.211 0.000 -3.256) 7.013 8.866 ( 9.832 0.000 10.419) 14.325 9.094 ( 10.961 0.000 4.797) 11.965 9.310 ( -2.621 0.000 -1.114) 2.848 9.475 ( 10.453 0.000 -9.012) 13.801 9.555 ( -2.976 0.000 3.298) 4.442 10.019 ( 0.573 0.000 -10.229) 10.245 10.543 ( -8.328 0.000 5.961) 10.241 10.883 ( -13.700 0.000 -2.925) 14.008 11.146 ( -3.445 0.000 7.469) 8.226 11.603 ( -3.754 0.000 -4.651) 5.977 12.440 ( 8.302 0.000 5.075) 9.730 12.512 ( 10.289 0.000 1.834) 10.451 12.718 ( 3.632 0.000 -3.948) 5.364 12.814 ( 5.714 0.000 -5.245) 7.756 14.309 ( 17.688 0.000 4.704) 18.303 14.390 ( 16.410 0.000 -2.926) 16.669 14.933 ( 11.639 0.000 6.035) 13.111 14.997 ( 11.832 0.000 2.625) 12.119 15.136 ( 7.316 0.000 4.672) 8.680 15.585 ( -7.962 0.000 -4.314) 9.056 15.682 ( -15.978 0.000 0.643) 15.991 16.022 ( -9.068 0.000 -3.957) 9.893 20.590 ( 14.215 0.000 5.262) 15.157 20.600 ( 9.303 0.000 -0.716) 9.330 22.191 ( -2.807 0.000 -2.883) 4.023 22.335 ( -4.098 0.000 -8.190) 9.158 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -0.985 0.000 -3.419) 3.558 1.855 ( -4.772 0.000 7.307) 8.727 2.068 ( -1.376 0.000 -4.763) 4.958 2.187 ( 3.730 0.000 -1.586) 4.053 2.418 ( 3.755 0.000 9.720) 10.420 2.590 ( -13.510 0.000 0.018) 13.510 2.625 ( 9.779 0.000 -4.378) 10.714 2.644 ( -2.296 0.000 -6.195) 6.607 2.992 ( 0.183 0.000 1.757) 1.767 3.107 ( -8.673 0.000 -1.616) 8.823 3.258 ( -0.255 0.000 5.797) 5.803 3.327 ( -6.535 0.000 -8.356) 10.608 4.055 ( 9.928 0.000 14.642) 17.691 4.092 ( -4.297 0.000 -5.317) 6.836 4.197 ( 1.487 0.000 2.194) 2.650 4.290 ( 0.034 0.000 3.569) 3.569 4.601 ( -0.198 0.000 2.186) 2.195 4.668 ( 2.228 0.000 5.441) 5.879 5.012 ( 28.353 0.000 14.225) 31.721 5.079 ( -3.229 0.000 -3.275) 4.599 5.137 ( 17.665 0.000 -6.392) 18.786 5.483 ( -0.694 0.000 1.581) 1.727 5.519 ( 11.088 0.000 2.857) 11.450 5.663 ( -6.111 0.000 -2.052) 6.447 5.860 ( -0.352 0.000 4.100) 4.115 6.084 ( -1.789 0.000 4.543) 4.882 6.213 ( -10.568 0.000 1.793) 10.719 6.234 ( -7.704 0.000 -4.715) 9.032 6.713 ( -7.998 0.000 -17.936) 19.638 6.729 ( -2.837 0.000 -3.698) 4.661 7.449 ( 10.710 0.000 10.573) 15.050 7.913 ( -3.288 0.000 -5.114) 6.080 7.948 ( -4.554 0.000 -1.379) 4.759 7.978 ( 3.505 0.000 -0.098) 3.507 8.906 ( -3.303 0.000 -0.654) 3.368 9.238 ( -3.175 0.000 -1.515) 3.518 9.459 ( 2.675 0.000 -5.216) 5.862 9.477 ( 14.475 0.000 10.490) 17.877 9.737 ( 11.937 0.000 4.347) 12.704 10.086 ( 11.287 0.000 -0.290) 11.291 10.404 ( -12.123 0.000 1.188) 12.181 10.575 ( -12.573 0.000 -8.325) 15.080 11.179 ( -3.532 0.000 6.502) 7.399 11.507 ( -2.037 0.000 -2.526) 3.245 12.614 ( 4.509 0.000 5.043) 6.765 12.665 ( 5.835 0.000 -0.141) 5.837 12.704 ( 1.249 0.000 -3.582) 3.793 12.851 ( 3.634 0.000 -3.243) 4.870 14.666 ( 18.883 0.000 -1.771) 18.966 14.682 ( 18.655 0.000 4.471) 19.183 15.167 ( 9.326 0.000 0.967) 9.376 15.219 ( 8.866 0.000 -0.571) 8.884 15.249 ( -1.367 0.000 -0.882) 1.627 15.386 ( -7.827 0.000 -1.093) 7.903 15.432 ( -14.631 0.000 7.844) 16.601 15.792 ( -11.614 0.000 -4.225) 12.359 20.742 ( 6.682 0.000 0.449) 6.697 20.849 ( 9.215 0.000 2.960) 9.679 22.106 ( -2.837 0.000 -2.247) 3.619 22.176 ( -3.698 0.000 -5.875) 6.942 ======================= Grid point 5 (6/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.296 ( -0.000 0.000 -0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.812 ( 0.000 0.000 0.000) 0.000 2.944 ( -0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 -0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.384 ( -0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 -0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 -0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 7.651 ( 0.000 0.000 0.000) 0.000 7.811 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 9.926 ( -0.000 0.000 -0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.249 ( 0.000 0.000 0.000) 0.000 10.358 ( 0.000 0.000 0.000) 0.000 11.183 ( 0.000 0.000 0.000) 0.000 11.475 ( 0.000 0.000 0.000) 0.000 12.692 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.702 ( 0.000 0.000 -0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 14.987 ( -0.000 0.000 0.000) 0.000 14.998 ( 0.000 0.000 0.000) 0.000 15.081 ( -0.000 0.000 -0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.377 ( 0.000 0.000 0.000) 0.000 15.502 ( -0.000 0.000 -0.000) 0.000 15.562 ( 0.000 0.000 0.000) 0.000 20.808 ( 0.000 0.000 0.000) 0.000 20.950 ( 0.000 0.000 0.000) 0.000 22.064 ( 0.000 0.000 0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 31.951 0.000) 31.951 0.782 ( 0.000 35.321 0.000) 35.321 1.284 ( 0.000 58.429 0.000) 58.429 2.458 ( 0.000 9.417 0.000) 9.417 2.507 ( 0.000 4.749 0.000) 4.749 2.753 ( 0.000 -3.256 0.000) 3.256 2.963 ( 0.000 -14.763 0.000) 14.763 3.024 ( 0.000 -10.354 0.000) 10.354 3.191 ( 0.000 9.744 0.000) 9.744 3.210 ( 0.000 0.295 0.000) 0.295 3.258 ( 0.000 -2.759 0.000) 2.759 3.527 ( 0.000 0.951 0.000) 0.951 3.543 ( 0.000 -3.257 0.000) 3.257 3.647 ( 0.000 7.390 0.000) 7.390 3.984 ( 0.000 -11.454 0.000) 11.454 4.182 ( 0.000 3.438 0.000) 3.438 4.280 ( 0.000 -8.786 0.000) 8.786 4.380 ( 0.000 1.895 0.000) 1.895 4.757 ( 0.000 3.215 0.000) 3.215 4.827 ( 0.000 5.985 0.000) 5.985 4.920 ( 0.000 4.428 0.000) 4.428 5.145 ( 0.000 21.402 0.000) 21.402 5.317 ( 0.000 2.021 0.000) 2.021 5.523 ( 0.000 -1.003 0.000) 1.003 5.615 ( 0.000 3.567 0.000) 3.567 6.005 ( 0.000 -1.668 0.000) 1.668 6.199 ( 0.000 -4.388 0.000) 4.388 6.580 ( 0.000 9.122 0.000) 9.122 6.637 ( 0.000 5.848 0.000) 5.848 7.159 ( 0.000 7.152 0.000) 7.152 7.321 ( 0.000 9.358 0.000) 9.358 7.347 ( 0.000 1.435 0.000) 1.435 8.179 ( 0.000 -5.905 0.000) 5.905 8.285 ( 0.000 -13.525 0.000) 13.525 8.748 ( 0.000 4.540 0.000) 4.540 9.300 ( 0.000 -1.858 0.000) 1.858 9.348 ( 0.000 3.214 0.000) 3.214 9.581 ( 0.000 3.635 0.000) 3.635 9.945 ( 0.000 -6.852 0.000) 6.852 10.372 ( 0.000 -3.587 0.000) 3.587 10.610 ( 0.000 -2.419 0.000) 2.419 10.907 ( 0.000 3.845 0.000) 3.845 11.233 ( 0.000 9.790 0.000) 9.790 11.682 ( 0.000 5.209 0.000) 5.209 11.840 ( 0.000 -6.164 0.000) 6.164 12.000 ( 0.000 -3.663 0.000) 3.663 12.395 ( 0.000 2.027 0.000) 2.027 12.881 ( 0.000 -1.651 0.000) 1.651 13.815 ( 0.000 11.826 0.000) 11.826 14.203 ( 0.000 2.422 0.000) 2.422 14.277 ( 0.000 3.844 0.000) 3.844 14.755 ( 0.000 8.308 0.000) 8.308 14.920 ( 0.000 -1.395 0.000) 1.395 15.878 ( 0.000 -0.244 0.000) 0.244 16.069 ( 0.000 -3.076 0.000) 3.076 16.291 ( 0.000 -3.054 0.000) 3.054 19.970 ( 0.000 5.791 0.000) 5.791 20.420 ( 0.000 3.697 0.000) 3.697 22.256 ( 0.000 -2.917 0.000) 2.917 22.605 ( 0.000 -2.105 0.000) 2.105 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 1.859 22.633 19.785) 30.119 0.996 ( 20.901 18.605 7.130) 28.876 1.799 ( 30.049 42.868 21.546) 56.611 2.332 ( -2.968 2.519 -14.524) 15.037 2.552 ( -1.546 4.092 1.898) 4.768 2.712 ( -1.537 -4.686 -3.901) 6.287 2.833 ( -0.682 -10.256 -2.624) 10.608 3.102 ( -2.018 -0.128 -5.222) 5.600 3.223 ( 6.082 -9.033 11.206) 15.626 3.275 ( -0.845 2.365 2.121) 3.287 3.359 ( -8.648 2.331 14.085) 16.692 3.434 ( -6.699 2.201 5.051) 8.674 3.462 ( -10.180 -3.554 2.722) 11.121 3.620 ( -4.773 0.154 1.678) 5.062 4.013 ( 3.687 -6.965 -2.571) 8.290 4.145 ( -2.887 2.328 -1.300) 3.930 4.311 ( -3.891 -4.436 0.621) 5.933 4.446 ( 7.247 0.336 5.385) 9.035 4.684 ( -0.517 11.537 -3.953) 12.207 4.747 ( -0.261 1.195 1.417) 1.872 4.987 ( 10.423 2.097 -3.661) 11.244 5.299 ( -5.955 4.464 -2.864) 7.974 5.422 ( 11.329 3.337 -1.245) 11.875 5.611 ( 7.684 4.667 -1.256) 9.078 5.627 ( 8.959 0.522 5.885) 10.732 5.925 ( -2.415 1.813 -1.203) 3.250 6.286 ( -2.451 -7.623 4.083) 8.989 6.558 ( -1.463 3.906 0.534) 4.205 6.662 ( 3.264 6.365 5.701) 9.147 7.184 ( 4.216 9.561 -4.644) 11.434 7.257 ( -2.957 2.773 -2.601) 4.816 7.529 ( 9.651 4.512 8.417) 13.577 8.124 ( -2.056 -5.345 -3.993) 6.981 8.245 ( -7.062 -9.028 -0.976) 11.504 8.504 ( -7.812 14.926 -3.537) 17.215 9.150 ( -3.050 13.270 -9.551) 16.632 9.331 ( 2.581 0.368 0.540) 2.662 9.501 ( -5.632 5.934 5.028) 9.603 9.821 ( -2.263 -5.482 -12.376) 13.724 10.376 ( -1.348 -4.915 11.451) 12.534 10.564 ( -5.693 -2.505 -10.485) 12.191 10.939 ( -3.516 0.960 9.496) 10.171 11.500 ( -7.728 -0.543 -3.763) 8.613 11.690 ( 13.538 -4.618 -2.436) 14.510 11.879 ( 5.992 -6.503 5.649) 10.493 12.087 ( 8.768 -1.267 0.964) 8.912 12.479 ( 9.270 1.516 -1.142) 9.463 12.871 ( 1.137 -0.778 -3.488) 3.750 13.892 ( 4.360 10.600 4.750) 12.407 14.181 ( 1.222 9.444 -4.397) 10.489 14.357 ( 7.492 1.558 6.876) 10.287 14.704 ( -3.947 7.713 7.479) 11.446 14.938 ( 3.278 -0.664 -2.168) 3.986 15.830 ( -4.907 -2.613 -2.000) 5.908 16.035 ( -3.701 -1.788 -0.574) 4.150 16.252 ( -2.960 -3.468 -2.106) 5.022 20.060 ( 7.523 4.678 3.565) 9.549 20.448 ( 7.032 5.114 -6.145) 10.647 22.248 ( -0.256 -3.126 -1.077) 3.316 22.573 ( -0.852 -1.897 -4.118) 4.613 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 8.545 8.404 25.187) 27.893 1.506 ( 22.058 4.247 12.208) 25.566 2.075 ( -4.639 -1.390 -13.892) 14.712 2.454 ( -2.058 5.294 -4.186) 7.056 2.534 ( 18.878 20.364 8.555) 29.056 2.591 ( -7.757 -6.990 -3.848) 11.129 2.884 ( 6.076 -1.157 -0.132) 6.187 2.972 ( -3.493 3.382 -2.852) 5.637 3.123 ( -3.605 1.449 -2.034) 4.385 3.251 ( -18.331 1.385 4.759) 18.989 3.363 ( -12.336 -3.683 4.836) 13.752 3.416 ( 0.997 -7.617 1.146) 7.767 3.545 ( 2.710 3.678 16.931) 17.537 3.639 ( 4.597 -7.945 10.115) 13.660 3.968 ( -0.653 -5.023 -5.295) 7.328 4.138 ( 2.664 5.860 2.213) 6.807 4.259 ( -1.542 -0.056 2.502) 2.940 4.602 ( 5.170 9.145 1.311) 10.586 4.714 ( -3.505 -3.888 0.012) 5.234 4.838 ( 13.307 -2.282 -1.269) 13.561 5.033 ( 1.819 0.840 -4.564) 4.984 5.224 ( 3.961 6.210 4.197) 8.477 5.557 ( 1.279 -2.011 -3.425) 4.173 5.668 ( 1.251 4.341 3.942) 5.996 5.740 ( -0.177 2.220 -1.172) 2.517 6.063 ( 11.358 -1.542 1.885) 11.616 6.216 ( -3.489 0.540 2.157) 4.137 6.582 ( -2.629 5.046 1.585) 5.906 6.813 ( 6.659 -1.817 6.448) 9.446 7.103 ( -5.840 8.093 -3.007) 10.423 7.229 ( 4.868 4.582 -8.913) 11.142 7.778 ( 8.194 4.293 5.505) 10.764 8.045 ( -3.287 -6.131 -2.826) 7.509 8.106 ( -6.000 -4.975 0.969) 7.854 8.572 ( 13.597 8.304 2.208) 16.084 9.069 ( 1.198 7.575 -2.677) 8.123 9.373 ( 1.083 2.203 -0.406) 2.488 9.481 ( -0.737 6.736 1.943) 7.049 9.650 ( -2.060 -2.943 -8.921) 9.618 10.263 ( -8.309 -0.876 -14.456) 16.697 10.493 ( -3.084 -4.281 11.084) 12.275 10.993 ( -6.410 -0.184 12.228) 13.808 11.242 ( -10.661 -0.787 -6.942) 12.747 11.670 ( -3.522 -5.091 -4.174) 7.466 12.165 ( 13.275 -3.820 4.599) 14.559 12.288 ( 10.973 -0.099 2.842) 11.336 12.635 ( 10.084 0.658 -2.300) 10.364 12.843 ( 2.435 1.167 -5.651) 6.263 14.041 ( 6.909 4.863 3.566) 9.170 14.236 ( 9.555 5.520 -1.696) 11.164 14.643 ( 10.839 1.909 11.252) 15.740 14.811 ( 5.883 2.332 6.176) 8.843 15.004 ( 7.988 2.453 -1.850) 8.559 15.666 ( -10.605 -7.224 -2.501) 13.073 15.923 ( -8.382 -0.917 -1.101) 8.504 16.142 ( -5.242 -3.695 -4.300) 7.722 20.286 ( 11.539 1.388 5.314) 12.779 20.512 ( 7.646 3.659 -4.105) 9.418 22.218 ( -0.895 -3.232 -2.483) 4.173 22.481 ( -1.961 -1.063 -7.030) 7.375 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 9.215 1.221 18.918) 21.078 1.869 ( -0.953 -0.751 -4.183) 4.356 2.009 ( 14.377 0.347 10.020) 17.527 2.305 ( -3.943 7.714 -7.488) 11.451 2.368 ( -5.268 -2.849 -5.933) 8.430 2.621 ( 0.936 4.469 -7.515) 8.794 2.881 ( -8.086 -3.155 -9.027) 12.523 2.913 ( -19.646 0.662 2.158) 19.775 2.965 ( -1.472 -0.868 0.244) 1.726 3.125 ( -3.294 -4.282 -1.326) 5.563 3.209 ( -6.261 -0.388 4.719) 7.849 3.546 ( -0.341 2.746 3.801) 4.701 3.668 ( 5.991 4.319 11.927) 14.029 3.915 ( 10.416 -16.004 5.769) 19.948 4.109 ( 11.601 -3.869 6.250) 13.734 4.246 ( 1.000 3.155 5.408) 6.340 4.346 ( 7.275 4.621 7.889) 11.684 4.555 ( -5.996 -3.054 -2.635) 7.226 4.717 ( 5.087 8.866 3.536) 10.816 5.015 ( 10.084 -2.348 -2.313) 10.609 5.147 ( 6.959 -4.197 1.314) 8.232 5.339 ( 3.887 -1.004 0.856) 4.104 5.421 ( -3.200 6.184 -5.140) 8.654 5.748 ( 0.234 1.824 1.258) 2.228 5.768 ( 2.083 0.177 4.108) 4.609 6.096 ( -3.704 -0.560 3.154) 4.896 6.262 ( -2.305 -5.120 2.262) 6.054 6.466 ( -8.944 3.946 -2.530) 10.098 6.956 ( -4.180 9.679 -2.435) 10.821 7.008 ( 6.219 -1.303 -9.609) 11.520 7.222 ( 5.921 9.036 3.131) 11.247 7.925 ( -0.997 -1.605 4.184) 4.591 7.947 ( 0.322 -0.809 -3.263) 3.377 8.033 ( -2.604 -2.498 -1.628) 3.959 8.943 ( 16.385 3.742 8.356) 18.770 9.089 ( 2.195 2.681 -0.302) 3.478 9.364 ( 0.193 3.233 0.040) 3.239 9.509 ( 6.586 3.431 -11.207) 13.444 9.585 ( 1.160 3.611 5.337) 6.547 10.033 ( 0.768 1.158 -8.883) 8.991 10.510 ( -7.591 -2.740 6.289) 10.232 10.860 ( -14.532 -2.038 -4.308) 15.293 11.130 ( -3.063 -1.522 7.111) 7.891 11.553 ( -3.411 -4.550 -4.189) 7.063 12.414 ( 8.957 -1.983 5.179) 10.535 12.495 ( 8.300 -1.219 2.641) 8.795 12.735 ( 5.238 1.140 -3.721) 6.525 12.839 ( 5.389 1.929 -5.676) 8.061 14.220 ( 10.969 -4.660 1.009) 11.960 14.448 ( 14.966 1.763 0.910) 15.097 14.911 ( 9.997 0.061 3.129) 10.475 15.049 ( 8.851 2.396 10.288) 13.782 15.164 ( 10.557 3.552 -0.241) 11.141 15.425 ( -14.461 -10.899 -0.069) 18.108 15.722 ( -13.313 -2.045 -1.173) 13.520 15.977 ( -6.722 -2.249 -5.783) 9.148 20.534 ( 10.139 -3.488 2.012) 10.910 20.622 ( 7.793 -0.219 1.594) 7.958 22.160 ( -1.339 -2.215 -3.634) 4.461 22.346 ( -3.162 0.455 -7.633) 8.275 ======================= Grid point 15 (11/160) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -1.623 -1.617 1.173) 2.574 1.887 ( -2.613 2.552 6.088) 7.099 2.171 ( -0.958 7.756 -7.272) 10.675 2.200 ( 4.720 1.541 -1.100) 5.085 2.427 ( 0.060 -0.327 8.988) 8.994 2.595 ( -2.447 -0.406 -1.186) 2.749 2.637 ( 2.176 1.093 -5.130) 5.678 2.657 ( -4.624 1.344 -1.179) 4.958 2.906 ( -3.114 -7.067 -4.276) 8.827 3.055 ( -2.604 -2.763 -1.498) 4.081 3.216 ( -0.405 -2.641 4.906) 5.586 3.393 ( -8.715 3.571 -5.105) 10.713 4.013 ( 3.617 -1.185 14.959) 15.436 4.061 ( 2.404 -3.460 -2.365) 4.832 4.236 ( 4.885 -4.728 -0.020) 6.798 4.317 ( 3.464 4.806 3.206) 6.736 4.456 ( 0.096 -6.584 0.503) 6.603 4.612 ( 1.955 -1.897 6.861) 7.382 4.948 ( 11.000 -9.050 2.147) 14.405 5.103 ( 2.325 -11.323 -1.407) 11.645 5.182 ( -1.189 7.333 1.679) 7.616 5.432 ( 12.177 1.432 2.845) 12.587 5.484 ( 8.686 0.438 0.202) 8.699 5.704 ( -5.774 1.246 0.205) 5.910 5.819 ( -3.612 -0.689 2.559) 4.480 6.089 ( -4.057 -2.937 7.320) 8.869 6.194 ( -4.267 2.293 0.512) 4.872 6.296 ( -3.894 4.262 -5.591) 8.037 6.787 ( -7.858 5.891 -10.406) 14.309 6.877 ( -1.724 12.269 -6.751) 14.109 7.468 ( 7.598 1.444 8.166) 11.247 7.843 ( -3.519 -3.973 -1.374) 5.482 7.966 ( -1.236 1.116 -0.935) 1.910 8.025 ( 3.429 2.801 -1.125) 4.569 8.971 ( -4.566 5.519 -2.857) 7.712 9.262 ( 0.748 0.374 4.263) 4.344 9.478 ( 7.345 1.604 -4.030) 8.530 9.502 ( 9.431 3.598 4.791) 11.174 9.779 ( 12.237 4.075 3.730) 13.426 10.088 ( 9.462 0.562 -1.050) 9.537 10.382 ( -12.312 -1.671 1.620) 12.530 10.529 ( -13.354 -4.011 -8.588) 16.376 11.164 ( -3.202 -1.391 6.236) 7.147 11.472 ( -1.373 -3.352 -2.337) 4.311 12.584 ( 4.231 -2.549 2.426) 5.503 12.617 ( 3.495 -2.902 1.843) 4.902 12.760 ( 3.167 3.119 -2.599) 5.150 12.870 ( 3.877 1.625 -3.594) 5.530 14.444 ( 13.877 -11.710 0.407) 18.162 14.750 ( 18.053 -3.686 1.392) 18.478 15.029 ( -6.134 -9.456 -1.035) 11.319 15.184 ( 3.675 -2.813 -2.900) 5.462 15.279 ( 1.857 1.486 9.785) 10.070 15.378 ( 2.172 -0.042 3.827) 4.400 15.455 ( -12.206 0.029 -1.672) 12.320 15.786 ( -7.653 0.739 -4.872) 9.102 20.664 ( 5.297 -6.854 -0.407) 8.671 20.791 ( 5.728 -5.766 3.536) 8.863 22.101 ( -0.327 0.202 -2.823) 2.849 22.207 ( -3.464 2.017 -5.256) 6.610 ======================= Grid point 16 (12/160) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 0.547 0.000) 0.547 1.849 ( 0.000 3.553 -0.000) 3.553 2.113 ( 0.000 7.314 0.000) 7.314 2.305 ( -0.000 0.870 0.000) 0.870 2.347 ( 0.000 3.481 0.000) 3.481 2.561 ( -0.000 -1.906 -0.000) 1.906 2.630 ( 0.000 0.486 0.000) 0.486 2.800 ( 0.000 -1.143 -0.000) 1.143 2.809 ( -0.000 -9.041 0.000) 9.041 3.025 ( 0.000 -0.387 0.000) 0.387 3.243 ( -0.000 3.177 0.000) 3.177 3.258 ( 0.000 -1.769 0.000) 1.769 3.973 ( 0.000 -1.014 -0.000) 1.014 4.202 ( -0.000 -1.148 -0.000) 1.148 4.285 ( 0.000 0.401 0.000) 0.401 4.368 ( 0.000 5.934 0.000) 5.934 4.475 ( -0.000 -11.254 0.000) 11.254 4.670 ( 0.000 -3.951 -0.000) 3.951 5.028 ( -0.000 -20.809 -0.000) 20.809 5.041 ( 0.000 -0.662 0.000) 0.662 5.263 ( 0.000 -16.971 0.000) 16.971 5.585 ( -0.000 6.511 0.000) 6.511 5.617 ( 0.000 5.495 -0.000) 5.495 5.622 ( -0.000 -1.648 0.000) 1.648 5.867 ( 0.000 1.166 -0.000) 1.166 6.003 ( 0.000 -0.798 0.000) 0.798 6.165 ( -0.000 2.933 0.000) 2.933 6.263 ( 0.000 8.381 -0.000) 8.381 6.596 ( 0.000 8.827 -0.000) 8.827 6.824 ( 0.000 12.102 0.000) 12.102 7.591 ( 0.000 -3.846 0.000) 3.846 7.799 ( -0.000 -1.286 0.000) 1.286 7.947 ( 0.000 3.776 -0.000) 3.776 8.050 ( 0.000 2.829 0.000) 2.829 8.905 ( 0.000 3.780 0.000) 3.780 9.271 ( 0.000 5.647 0.000) 5.647 9.486 ( -0.000 2.608 -0.000) 2.608 9.720 ( -0.000 0.861 -0.000) 0.861 9.979 ( -0.000 5.700 -0.000) 5.700 10.169 ( 0.000 -4.679 0.000) 4.679 10.231 ( 0.000 -0.849 0.000) 0.849 10.310 ( 0.000 -4.484 0.000) 4.484 11.170 ( 0.000 -1.190 -0.000) 1.190 11.447 ( 0.000 -2.668 0.000) 2.668 12.617 ( 0.000 -3.687 0.000) 3.687 12.672 ( -0.000 -2.894 0.000) 2.894 12.775 ( 0.000 3.660 0.000) 3.660 12.881 ( 0.000 1.711 0.000) 1.711 14.637 ( 0.000 -17.738 0.000) 17.738 14.849 ( -0.000 -11.112 -0.000) 11.112 15.047 ( 0.000 -5.888 0.000) 5.888 15.138 ( -0.000 -9.310 0.000) 9.310 15.309 ( 0.000 5.782 -0.000) 5.782 15.311 ( -0.000 0.826 0.000) 0.826 15.520 ( -0.000 2.124 0.000) 2.124 15.645 ( 0.000 4.723 0.000) 4.723 20.710 ( -0.000 -8.735 0.000) 8.735 20.864 ( 0.000 -7.913 0.000) 7.913 22.090 ( 0.000 2.089 0.000) 2.089 22.132 ( 0.000 2.339 0.000) 2.339 ======================= Grid point 22 (13/160) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 27.302 0.000) 27.302 1.449 ( 0.000 27.984 0.000) 27.984 2.339 ( 0.000 37.202 0.000) 37.202 2.454 ( 0.000 -10.254 0.000) 10.254 2.591 ( 0.000 -7.282 0.000) 7.282 2.663 ( 0.000 -7.215 0.000) 7.215 2.683 ( 0.000 1.810 0.000) 1.810 2.835 ( 0.000 -3.603 0.000) 3.603 3.143 ( 0.000 -3.961 0.000) 3.961 3.253 ( 0.000 0.408 0.000) 0.408 3.422 ( 0.000 -2.725 0.000) 2.725 3.466 ( 0.000 6.087 0.000) 6.087 3.542 ( 0.000 -1.862 0.000) 1.862 3.729 ( 0.000 -6.710 0.000) 6.710 3.877 ( 0.000 7.671 0.000) 7.671 4.125 ( 0.000 1.261 0.000) 1.261 4.265 ( 0.000 6.985 0.000) 6.985 4.532 ( 0.000 10.826 0.000) 10.826 4.867 ( 0.000 7.093 0.000) 7.093 4.935 ( 0.000 3.666 0.000) 3.666 5.026 ( 0.000 4.818 0.000) 4.818 5.339 ( 0.000 -0.095 0.000) 0.095 5.529 ( 0.000 1.025 0.000) 1.025 5.616 ( 0.000 19.636 0.000) 19.636 5.724 ( 0.000 7.656 0.000) 7.656 5.913 ( 0.000 -6.489 0.000) 6.489 6.087 ( 0.000 -6.095 0.000) 6.095 6.748 ( 0.000 3.339 0.000) 3.339 6.778 ( 0.000 8.443 0.000) 8.443 7.189 ( 0.000 -1.420 0.000) 1.420 7.438 ( 0.000 8.226 0.000) 8.226 7.661 ( 0.000 15.491 0.000) 15.491 7.987 ( 0.000 -13.864 0.000) 13.864 8.035 ( 0.000 -5.834 0.000) 5.834 8.831 ( 0.000 3.860 0.000) 3.860 9.225 ( 0.000 -4.164 0.000) 4.164 9.405 ( 0.000 0.107 0.000) 0.107 9.703 ( 0.000 7.451 0.000) 7.451 9.767 ( 0.000 -9.769 0.000) 9.769 10.347 ( 0.000 3.596 0.000) 3.596 10.499 ( 0.000 -7.847 0.000) 7.847 11.020 ( 0.000 6.934 0.000) 6.934 11.468 ( 0.000 8.513 0.000) 8.513 11.665 ( 0.000 -8.762 0.000) 8.762 11.828 ( 0.000 8.022 0.000) 8.022 11.906 ( 0.000 -4.151 0.000) 4.151 12.449 ( 0.000 2.860 0.000) 2.860 12.826 ( 0.000 -3.730 0.000) 3.730 14.052 ( 0.000 7.945 0.000) 7.945 14.254 ( 0.000 1.570 0.000) 1.570 14.460 ( 0.000 14.836 0.000) 14.836 14.938 ( 0.000 4.413 0.000) 4.413 15.018 ( 0.000 16.449 0.000) 16.449 15.824 ( 0.000 -5.858 0.000) 5.858 15.962 ( 0.000 -7.434 0.000) 7.434 16.196 ( 0.000 -5.914 0.000) 5.914 20.160 ( 0.000 12.156 0.000) 12.156 20.525 ( 0.000 5.931 0.000) 5.931 22.176 ( 0.000 -4.214 0.000) 4.214 22.523 ( 0.000 -6.030 0.000) 6.030 ======================= Grid point 23 (14/160) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -3.676 25.602 4.492) 26.252 1.406 ( 5.342 18.541 -0.672) 19.307 2.276 ( -5.701 -8.096 -15.135) 18.086 2.505 ( -5.897 -9.414 -3.417) 11.622 2.601 ( -0.364 4.341 1.330) 4.555 2.675 ( 17.026 25.082 12.867) 32.933 2.775 ( 5.917 2.018 0.141) 6.253 2.935 ( 1.830 -8.878 9.807) 13.355 3.161 ( -1.018 1.147 -4.247) 4.515 3.174 ( -2.304 -7.574 1.266) 8.017 3.283 ( -8.763 -5.641 -0.548) 10.436 3.507 ( -1.298 2.647 1.306) 3.224 3.559 ( -3.357 2.328 10.140) 10.931 3.739 ( -8.337 13.827 -3.864) 16.601 3.957 ( 3.094 -0.693 8.594) 9.160 4.084 ( -1.980 -8.379 1.342) 8.713 4.265 ( 1.782 9.268 1.572) 9.568 4.570 ( -2.565 9.662 6.455) 11.900 4.784 ( -4.179 3.420 -1.670) 5.652 4.914 ( -2.120 5.565 -1.534) 6.149 5.062 ( 5.991 6.255 -4.335) 9.685 5.342 ( -0.360 -0.968 1.455) 1.784 5.465 ( 1.468 1.609 -4.194) 4.726 5.714 ( 0.895 5.202 1.726) 5.553 5.781 ( 4.044 5.078 0.708) 6.530 5.921 ( 6.705 3.331 -1.516) 7.639 6.145 ( 1.692 -6.419 3.546) 7.526 6.648 ( -6.591 2.648 1.004) 7.174 6.788 ( -0.838 5.281 3.303) 6.285 7.285 ( 3.394 2.461 1.896) 4.601 7.417 ( 0.789 10.002 -2.917) 10.449 7.709 ( 2.953 7.573 3.778) 8.963 7.961 ( 0.408 -6.875 -3.496) 7.724 8.054 ( 0.211 -6.905 0.897) 6.967 8.725 ( -5.879 7.911 -1.992) 10.055 9.232 ( -3.360 -3.417 3.332) 5.837 9.432 ( 7.012 4.999 -4.777) 9.847 9.624 ( -2.268 2.174 -1.647) 3.547 9.738 ( -2.980 1.979 -6.887) 7.760 10.283 ( -1.139 -2.571 4.850) 5.606 10.500 ( -4.957 -2.725 -2.882) 6.348 10.981 ( -3.954 3.437 2.838) 5.958 11.469 ( -4.916 -3.467 -5.993) 8.492 11.654 ( -10.614 -6.559 3.438) 12.941 11.820 ( 14.629 5.696 3.308) 16.044 12.079 ( 10.885 1.128 2.387) 11.200 12.518 ( 7.995 2.121 -1.343) 8.380 12.833 ( 2.648 -2.905 -2.684) 4.760 14.136 ( 3.617 9.932 6.177) 12.243 14.362 ( 0.842 8.570 1.542) 8.748 14.397 ( 3.159 3.285 3.072) 5.496 14.896 ( -7.530 7.834 0.537) 10.880 15.031 ( 6.176 12.905 -0.393) 14.312 15.713 ( -10.463 -8.355 -1.072) 13.432 15.948 ( -3.756 -7.440 -0.514) 8.350 16.161 ( -1.565 -5.030 -2.825) 5.978 20.211 ( 3.355 9.623 3.312) 10.716 20.550 ( 5.198 4.632 -4.705) 8.403 22.168 ( 0.264 -3.967 -1.751) 4.345 22.499 ( 0.169 -5.343 -4.116) 6.746 ======================= Grid point 24 (15/160) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 1.618 12.542 14.679) 19.375 1.604 ( 14.941 5.518 3.215) 16.249 2.014 ( -3.008 -3.604 -13.150) 13.963 2.366 ( -4.717 -7.815 -3.681) 9.842 2.565 ( -4.666 2.559 0.156) 5.324 2.847 ( -1.367 2.077 -5.403) 5.947 2.867 ( 4.693 -4.716 -0.025) 6.653 3.042 ( -6.900 -10.551 -5.293) 13.673 3.099 ( -9.483 -1.873 3.497) 10.279 3.144 ( 2.640 -2.820 3.209) 5.022 3.341 ( -13.225 5.040 -7.570) 16.050 3.394 ( 16.420 13.337 12.238) 24.438 3.599 ( -4.493 5.940 6.498) 9.884 3.668 ( -4.791 4.512 16.900) 18.137 3.902 ( -8.642 -0.792 0.071) 8.679 4.158 ( 0.204 -7.322 9.105) 11.686 4.386 ( 5.897 15.380 3.023) 16.747 4.632 ( 6.058 -2.469 2.657) 7.061 4.690 ( -7.123 1.270 0.113) 7.236 4.894 ( -0.409 0.233 3.101) 3.137 5.082 ( 3.321 8.300 -7.196) 11.476 5.366 ( 1.733 5.061 1.110) 5.463 5.491 ( 3.003 -4.386 -0.913) 5.393 5.721 ( -1.923 0.333 1.368) 2.383 5.799 ( 1.015 2.963 2.369) 3.927 6.058 ( 4.840 0.331 -1.053) 4.964 6.169 ( -0.281 -3.453 -0.583) 3.513 6.638 ( -3.697 -1.597 4.212) 5.828 6.828 ( 4.774 4.472 3.089) 7.234 7.267 ( -5.119 8.578 1.445) 10.093 7.419 ( 2.998 10.324 -4.450) 11.635 7.810 ( 1.806 -5.810 2.426) 6.550 7.938 ( 0.645 0.393 -0.369) 0.841 8.050 ( -0.262 -0.159 -0.413) 0.515 8.735 ( 7.889 7.715 1.881) 11.193 9.183 ( -3.331 0.282 0.557) 3.389 9.505 ( 7.269 8.750 -6.831) 13.269 9.609 ( 1.015 2.854 -7.179) 7.791 9.626 ( -1.053 5.257 5.503) 7.683 10.236 ( -5.978 -1.835 -12.151) 13.665 10.417 ( -2.706 -1.098 10.358) 10.762 10.987 ( -4.576 -0.339 8.065) 9.279 11.205 ( -11.197 -2.866 -9.261) 14.811 11.524 ( -6.033 -9.332 -1.726) 11.245 12.135 ( 13.182 1.534 5.295) 14.288 12.298 ( 10.017 0.964 3.105) 10.532 12.652 ( 9.358 0.918 -2.561) 9.746 12.848 ( 4.115 -0.961 -4.621) 6.262 14.181 ( -4.151 8.441 1.745) 9.567 14.370 ( 5.261 6.968 0.920) 8.779 14.693 ( 11.463 2.087 12.071) 16.776 14.833 ( -0.343 0.104 4.548) 4.562 15.162 ( 10.495 11.899 -3.122) 16.170 15.468 ( -16.097 -10.489 -0.436) 19.218 15.796 ( -13.067 -10.957 0.279) 17.055 16.086 ( -0.731 -2.170 -6.686) 7.068 20.333 ( 4.640 3.113 4.519) 7.186 20.568 ( 2.958 1.305 -3.964) 5.115 22.147 ( 1.186 -2.762 -3.579) 4.674 22.434 ( -0.104 -3.592 -6.839) 7.726 ======================= Grid point 25 (16/160) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 2.409 -0.292 10.819) 11.088 1.914 ( 2.045 5.773 0.381) 6.136 1.967 ( 17.866 -2.882 6.132) 19.108 2.271 ( 0.724 -4.633 -4.310) 6.370 2.442 ( -6.502 4.207 -2.353) 8.094 2.720 ( -3.639 2.881 -6.243) 7.780 2.797 ( -10.280 -6.202 -5.822) 13.343 2.899 ( -4.219 -6.614 -7.022) 10.529 2.974 ( -14.416 5.198 -0.595) 15.336 3.024 ( -1.593 -1.722 -0.529) 2.405 3.192 ( -1.401 -1.842 1.972) 3.040 3.564 ( -1.436 -8.592 -1.078) 8.778 3.668 ( -5.120 2.048 5.100) 7.511 3.768 ( 2.357 1.272 15.570) 15.799 3.996 ( 12.042 -3.047 4.652) 13.265 4.307 ( -4.327 1.466 17.877) 18.451 4.508 ( 0.334 6.869 -1.756) 7.098 4.589 ( 2.998 9.207 2.544) 10.011 4.740 ( 0.240 -8.823 0.020) 8.827 4.872 ( -7.263 -11.010 0.823) 13.215 5.098 ( 8.608 6.052 -0.628) 10.541 5.412 ( 2.276 2.033 -2.840) 4.169 5.514 ( 1.462 2.683 1.413) 3.366 5.735 ( -0.392 1.234 3.233) 3.483 5.877 ( 2.826 6.451 3.822) 8.013 5.999 ( -8.138 -7.937 2.093) 11.559 6.198 ( 4.679 -0.324 -2.405) 5.271 6.527 ( -7.933 1.382 -1.731) 8.237 6.975 ( 4.208 -0.553 -2.056) 4.716 7.233 ( 0.278 14.589 0.862) 14.617 7.404 ( -0.389 6.175 1.116) 6.287 7.807 ( -2.293 -3.548 0.216) 4.230 7.966 ( 1.449 -3.283 -0.063) 3.589 8.057 ( 1.068 5.338 0.455) 5.463 8.975 ( 11.826 1.779 5.734) 13.263 9.179 ( 0.950 1.562 0.425) 1.877 9.463 ( 0.342 7.501 -6.832) 10.151 9.589 ( 2.010 4.424 -1.423) 5.063 9.730 ( 7.658 8.549 0.436) 11.486 10.062 ( 2.527 1.923 -7.415) 8.066 10.454 ( -6.427 -1.969 6.435) 9.305 10.815 ( -15.289 -1.583 -6.216) 16.580 11.084 ( -1.997 -2.789 5.926) 6.847 11.416 ( -2.299 -8.555 -3.465) 9.512 12.378 ( 8.477 -1.122 4.198) 9.526 12.471 ( 5.588 -1.128 2.463) 6.210 12.757 ( 6.539 0.997 -2.974) 7.252 12.869 ( 5.396 0.569 -5.126) 7.465 14.162 ( 1.962 -0.427 -0.515) 2.072 14.457 ( 3.767 0.160 1.395) 4.020 14.918 ( 3.821 -1.832 3.429) 5.451 15.060 ( 7.094 -1.326 12.789) 14.685 15.159 ( -9.300 -8.150 -1.357) 12.440 15.337 ( 6.198 7.412 -0.639) 9.683 15.551 ( -14.244 -10.811 1.855) 17.978 15.971 ( -1.776 0.208 -8.827) 9.007 20.450 ( 3.724 -4.280 1.591) 5.892 20.572 ( -0.091 -4.507 1.593) 4.781 22.127 ( 2.183 -0.504 -4.492) 5.020 22.338 ( -1.001 -1.398 -7.268) 7.468 ======================= Grid point 26 (17/160) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 1.294 -0.739 5.194) 5.404 1.983 ( -1.926 7.202 3.864) 8.397 2.219 ( 7.691 1.003 -0.929) 7.812 2.340 ( -0.656 5.759 -3.741) 6.899 2.384 ( 3.114 -3.146 4.929) 6.625 2.542 ( -0.052 -4.464 -2.066) 4.920 2.657 ( -3.166 1.166 -4.182) 5.373 2.693 ( -3.241 -0.714 -4.808) 5.842 2.762 ( -7.823 -1.804 -2.715) 8.475 3.048 ( 0.541 1.512 0.752) 1.773 3.199 ( -0.141 1.006 2.672) 2.859 3.427 ( -9.190 -0.610 -2.193) 9.468 3.797 ( 8.972 -18.536 5.023) 21.197 3.936 ( 1.279 -10.799 5.372) 12.129 4.181 ( 0.785 -0.052 4.756) 4.821 4.333 ( -2.229 0.913 3.761) 4.467 4.496 ( -0.869 5.954 1.674) 6.246 4.630 ( -9.341 -23.361 -2.503) 25.284 4.697 ( 1.937 9.492 0.568) 9.704 4.781 ( -2.499 -10.918 3.024) 11.602 5.277 ( -3.458 1.329 1.002) 3.838 5.375 ( 11.439 -2.242 -4.277) 12.416 5.625 ( 4.324 1.738 5.240) 7.013 5.724 ( -0.325 5.364 -2.239) 5.822 5.895 ( -5.079 4.240 6.753) 9.454 6.027 ( 2.184 0.472 5.943) 6.349 6.263 ( 1.575 2.983 3.346) 4.751 6.382 ( -1.057 3.348 -7.445) 8.231 6.907 ( -4.726 5.106 -4.739) 8.418 7.175 ( -2.216 14.907 -5.617) 16.084 7.494 ( 1.706 0.141 6.917) 7.126 7.756 ( -3.098 -3.546 -0.656) 4.754 8.003 ( 4.168 1.120 -1.281) 4.502 8.082 ( 0.377 3.281 1.043) 3.464 9.075 ( -5.295 2.610 -3.180) 6.706 9.241 ( 4.784 -1.024 7.988) 9.368 9.512 ( 10.166 2.162 -4.569) 11.353 9.626 ( 3.655 6.954 1.425) 7.984 9.896 ( 10.497 4.663 0.962) 11.526 10.117 ( 8.371 2.999 -2.964) 9.373 10.339 ( -10.731 -3.401 -0.210) 11.259 10.478 ( -14.595 2.486 -4.793) 15.562 11.121 ( -2.244 -2.708 5.394) 6.440 11.369 ( 0.236 -6.398 -1.888) 6.675 12.517 ( 4.158 -3.797 -0.428) 5.647 12.547 ( 0.950 -3.744 2.852) 4.801 12.818 ( 3.518 2.440 -0.907) 4.376 12.904 ( 4.293 1.249 -3.663) 5.780 14.228 ( 6.005 -8.089 -0.849) 10.110 14.559 ( 6.022 -11.665 0.423) 13.135 14.798 ( -10.580 -11.243 -0.186) 15.440 15.078 ( -10.565 -12.994 0.066) 16.747 15.266 ( 4.391 2.873 6.324) 8.217 15.387 ( 0.296 2.271 8.640) 8.938 15.533 ( 7.600 6.046 -2.411) 10.006 15.823 ( -3.517 1.870 -7.439) 8.438 20.486 ( 0.919 -9.366 -0.965) 9.461 20.614 ( 0.034 -10.499 4.069) 11.260 22.120 ( 2.496 1.425 -3.081) 4.213 22.237 ( -1.831 0.608 -4.958) 5.320 ======================= Grid point 27 (18/160) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.000 3.946 -0.000) 3.946 1.941 ( 0.000 4.955 0.000) 4.955 2.273 ( -0.000 7.306 -0.000) 7.306 2.334 ( -0.000 1.802 0.000) 1.802 2.413 ( 0.000 1.756 -0.000) 1.756 2.487 ( 0.000 -4.961 0.000) 4.961 2.631 ( -0.000 1.837 0.000) 1.837 2.655 ( 0.000 -4.032 -0.000) 4.032 2.746 ( 0.000 -3.841 0.000) 3.841 3.058 ( 0.000 2.481 0.000) 2.481 3.226 ( 0.000 0.335 0.000) 0.335 3.301 ( -0.000 0.887 -0.000) 0.887 3.898 ( 0.000 -9.417 -0.000) 9.417 4.018 ( 0.000 -18.656 -0.000) 18.656 4.166 ( -0.000 -13.502 0.000) 13.502 4.390 ( -0.000 7.496 -0.000) 7.496 4.459 ( 0.000 -8.548 0.000) 8.548 4.511 ( 0.000 -14.438 0.000) 14.438 4.714 ( 0.000 7.973 -0.000) 7.973 4.791 ( 0.000 -13.739 0.000) 13.739 5.196 ( 0.000 4.323 -0.000) 4.323 5.493 ( -0.000 -5.594 -0.000) 5.594 5.642 ( 0.000 -1.830 0.000) 1.830 5.753 ( -0.000 2.515 0.000) 2.515 5.985 ( 0.000 8.266 0.000) 8.266 6.035 ( -0.000 5.015 -0.000) 5.015 6.238 ( -0.000 3.693 0.000) 3.693 6.400 ( 0.000 4.055 -0.000) 4.055 6.796 ( 0.000 9.504 -0.000) 9.504 7.115 ( 0.000 14.488 0.000) 14.488 7.556 ( 0.000 1.149 0.000) 1.149 7.715 ( -0.000 -7.658 0.000) 7.658 8.043 ( 0.000 5.290 -0.000) 5.290 8.090 ( -0.000 0.697 0.000) 0.697 8.993 ( 0.000 3.629 0.000) 3.629 9.339 ( 0.000 -0.845 0.000) 0.845 9.564 ( 0.000 5.257 -0.000) 5.257 9.726 ( -0.000 0.131 -0.000) 0.131 10.047 ( 0.000 -6.517 0.000) 6.517 10.181 ( 0.000 -3.294 0.000) 3.294 10.185 ( 0.000 9.423 -0.000) 9.423 10.284 ( -0.000 6.876 0.000) 6.876 11.133 ( 0.000 -2.433 -0.000) 2.433 11.363 ( 0.000 -5.384 0.000) 5.384 12.533 ( 0.000 -4.472 -0.000) 4.472 12.582 ( -0.000 -5.438 0.000) 5.438 12.846 ( -0.000 3.027 0.000) 3.027 12.920 ( 0.000 1.632 -0.000) 1.632 14.298 ( 0.000 -13.472 0.000) 13.472 14.571 ( -0.000 -14.514 -0.000) 14.514 14.839 ( 0.000 -11.983 0.000) 11.983 14.841 ( -0.000 -14.851 0.000) 14.851 15.375 ( 0.000 4.632 0.000) 4.632 15.461 ( -0.000 6.083 -0.000) 6.083 15.590 ( 0.000 4.233 0.000) 4.233 15.726 ( 0.000 2.888 -0.000) 2.888 20.485 ( -0.000 -11.508 0.000) 11.508 20.641 ( 0.000 -12.559 0.000) 12.559 22.134 ( 0.000 1.829 0.000) 1.829 22.179 ( 0.000 1.717 0.000) 1.717 ======================= Grid point 33 (19/160) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.000 19.666 0.000) 19.666 1.956 ( 0.000 20.984 0.000) 20.984 2.257 ( 0.000 -4.645 0.000) 4.645 2.351 ( 0.000 -12.118 0.000) 12.118 2.542 ( 0.000 -10.423 0.000) 10.423 2.647 ( 0.000 4.361 0.000) 4.361 2.672 ( 0.000 -5.548 0.000) 5.548 2.841 ( 0.000 2.047 0.000) 2.047 3.083 ( 0.000 -9.679 0.000) 9.679 3.265 ( 0.000 8.886 0.000) 8.886 3.287 ( 0.000 -14.952 0.000) 14.952 3.504 ( 0.000 -0.008 0.000) 0.008 3.516 ( 0.000 4.031 0.000) 4.031 3.692 ( 0.000 -4.511 0.000) 4.511 4.108 ( 0.000 23.220 0.000) 23.220 4.387 ( 0.000 16.208 0.000) 16.208 4.512 ( 0.000 12.078 0.000) 12.078 4.744 ( 0.000 7.756 0.000) 7.756 4.964 ( 0.000 1.277 0.000) 1.277 5.063 ( 0.000 9.917 0.000) 9.917 5.101 ( 0.000 2.524 0.000) 2.524 5.305 ( 0.000 -4.066 0.000) 4.066 5.514 ( 0.000 -3.308 0.000) 3.308 5.625 ( 0.000 -14.569 0.000) 14.569 5.801 ( 0.000 4.271 0.000) 4.271 5.961 ( 0.000 -5.317 0.000) 5.317 6.149 ( 0.000 20.337 0.000) 20.337 6.722 ( 0.000 -5.641 0.000) 5.641 6.941 ( 0.000 7.020 0.000) 7.020 7.139 ( 0.000 -3.041 0.000) 3.041 7.631 ( 0.000 2.725 0.000) 2.725 7.715 ( 0.000 -6.633 0.000) 6.633 7.795 ( 0.000 2.543 0.000) 2.543 8.067 ( 0.000 4.134 0.000) 4.134 8.925 ( 0.000 5.207 0.000) 5.207 9.142 ( 0.000 -3.979 0.000) 3.979 9.350 ( 0.000 -3.107 0.000) 3.107 9.553 ( 0.000 -10.146 0.000) 10.146 9.877 ( 0.000 9.115 0.000) 9.115 10.303 ( 0.000 -10.415 0.000) 10.415 10.562 ( 0.000 15.875 0.000) 15.875 11.194 ( 0.000 9.490 0.000) 9.490 11.318 ( 0.000 -15.977 0.000) 15.977 11.590 ( 0.000 -6.067 0.000) 6.067 11.937 ( 0.000 7.078 0.000) 7.078 11.985 ( 0.000 6.151 0.000) 6.151 12.511 ( 0.000 3.212 0.000) 3.212 12.724 ( 0.000 -5.845 0.000) 5.845 14.153 ( 0.000 3.005 0.000) 3.005 14.252 ( 0.000 -1.545 0.000) 1.545 14.846 ( 0.000 20.188 0.000) 20.188 15.125 ( 0.000 12.887 0.000) 12.887 15.400 ( 0.000 18.086 0.000) 18.086 15.616 ( 0.000 -13.852 0.000) 13.852 15.757 ( 0.000 -11.497 0.000) 11.497 16.039 ( 0.000 -9.426 0.000) 9.426 20.445 ( 0.000 13.552 0.000) 13.552 20.641 ( 0.000 4.168 0.000) 4.168 22.109 ( 0.000 -1.186 0.000) 1.186 22.353 ( 0.000 -9.706 0.000) 9.706 ======================= Grid point 34 (20/160) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -5.631 12.556 -8.591) 16.223 1.828 ( -4.134 20.392 -1.505) 20.861 2.102 ( -5.729 -6.806 -10.396) 13.683 2.336 ( -3.497 -6.970 2.321) 8.137 2.593 ( 1.061 -9.128 3.554) 9.853 2.634 ( -1.208 2.751 -0.409) 3.032 2.761 ( 3.822 -13.225 -2.697) 14.028 2.908 ( 1.302 -0.075 3.723) 3.945 3.077 ( -0.491 -2.821 -3.715) 4.691 3.196 ( 6.566 1.275 0.612) 6.717 3.312 ( -0.983 1.030 -11.670) 11.756 3.488 ( -0.403 0.183 19.250) 19.255 3.695 ( 4.024 -8.532 2.457) 9.748 3.743 ( -0.982 2.344 11.317) 11.599 4.093 ( -4.735 21.773 1.289) 22.319 4.271 ( -15.807 17.378 4.491) 23.917 4.516 ( 0.941 11.141 2.298) 11.414 4.761 ( -4.881 5.345 7.092) 10.134 4.857 ( -7.013 3.499 -5.416) 9.526 4.983 ( -5.149 3.177 -1.226) 6.173 5.177 ( 6.835 3.059 -2.109) 7.779 5.297 ( 0.076 -3.015 1.649) 3.437 5.453 ( -0.973 -2.645 -3.304) 4.343 5.655 ( -3.210 -10.847 5.562) 12.606 5.813 ( 0.683 3.940 1.496) 4.270 5.976 ( 0.729 -5.577 2.351) 6.097 6.205 ( 6.563 13.527 -5.880) 16.144 6.615 ( -6.976 -5.312 -0.876) 8.812 6.936 ( 1.952 9.316 0.261) 9.522 7.302 ( 8.144 -2.305 3.558) 9.182 7.616 ( -1.131 5.474 -0.400) 5.604 7.651 ( -1.635 -5.859 -1.011) 6.166 7.880 ( 4.417 -0.039 1.437) 4.645 8.074 ( 1.099 3.208 -0.794) 3.483 8.871 ( -2.245 6.335 -1.718) 6.937 9.134 ( -2.403 -5.741 2.348) 6.652 9.433 ( 7.241 -0.937 0.900) 7.356 9.587 ( 2.982 -4.131 1.875) 5.429 9.889 ( -1.576 8.560 0.797) 8.740 10.225 ( -2.663 -5.649 -3.240) 7.035 10.569 ( -1.600 11.814 1.350) 11.998 11.080 ( -5.201 4.521 -4.930) 8.473 11.298 ( -3.136 -11.282 -2.125) 11.901 11.481 ( -12.756 -8.471 0.533) 15.322 12.005 ( 9.643 9.105 1.335) 13.329 12.127 ( 10.115 2.525 1.749) 10.571 12.566 ( 6.384 2.568 -1.076) 6.965 12.749 ( 3.805 -5.039 -1.700) 6.539 14.266 ( 7.743 3.762 6.493) 10.783 14.378 ( 8.698 -1.712 7.399) 11.547 14.680 ( -13.833 17.318 -1.538) 22.218 15.086 ( -9.899 10.675 -1.003) 14.593 15.338 ( -0.002 6.479 -4.100) 7.667 15.537 ( -8.009 -0.705 2.278) 8.357 15.726 ( -6.422 -13.145 -0.556) 14.640 16.026 ( 1.169 -8.491 -2.871) 9.039 20.437 ( -2.724 10.769 2.503) 11.386 20.629 ( -0.531 2.216 -2.015) 3.042 22.114 ( 2.493 -0.301 -2.787) 3.752 22.350 ( 2.310 -8.530 -4.018) 9.708 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.465 5.104 -1.892) 5.463 1.767 ( 1.404 5.784 -4.412) 7.409 1.965 ( 1.365 1.740 -2.152) 3.086 2.298 ( -3.901 0.024 1.949) 4.361 2.551 ( -4.909 -6.206 -1.338) 8.025 2.679 ( 3.472 -5.061 -0.797) 6.189 2.752 ( -2.419 -10.957 0.873) 11.255 2.889 ( -0.469 -1.206 -2.998) 3.265 2.966 ( -4.214 -2.971 -2.899) 5.915 3.163 ( 0.436 -1.880 -9.978) 10.163 3.404 ( 1.374 2.644 -0.346) 3.000 3.606 ( -9.145 -2.111 1.434) 9.495 3.713 ( -1.779 6.973 7.461) 10.367 3.818 ( -6.833 -0.306 12.386) 14.149 4.014 ( -14.427 8.857 8.864) 19.109 4.125 ( -2.285 15.193 13.843) 20.680 4.544 ( -4.681 -3.657 1.310) 6.083 4.719 ( -7.044 5.845 5.928) 10.905 4.739 ( -2.162 6.570 1.192) 7.018 4.864 ( -4.109 -0.772 -2.356) 4.799 5.246 ( 3.679 5.227 -2.603) 6.902 5.395 ( 5.080 -3.889 0.137) 6.400 5.421 ( 1.515 1.039 1.187) 2.187 5.645 ( -5.341 -7.683 7.575) 12.039 5.860 ( 2.861 2.801 1.235) 4.190 5.993 ( -0.582 -4.658 -2.210) 5.189 6.214 ( 4.365 6.894 -5.407) 9.789 6.541 ( -1.956 -6.634 0.170) 6.918 6.992 ( 1.950 10.297 1.775) 10.629 7.383 ( -2.984 -1.942 3.993) 5.350 7.586 ( 0.585 6.829 -2.535) 7.308 7.701 ( 5.779 -1.832 0.783) 6.112 7.932 ( 0.454 0.624 -0.133) 0.784 8.088 ( 1.564 0.353 -0.251) 1.623 8.890 ( 5.183 6.732 1.570) 8.640 9.126 ( -1.781 -4.560 2.699) 5.590 9.569 ( 7.056 2.743 0.123) 7.572 9.684 ( 1.383 0.272 5.701) 5.872 9.832 ( -0.313 11.124 -4.603) 12.043 10.159 ( -1.067 -5.611 -5.258) 7.764 10.538 ( -3.835 12.948 3.097) 13.854 10.987 ( -3.384 0.424 1.438) 3.701 11.126 ( -8.596 -4.374 -9.542) 13.567 11.272 ( -8.162 -14.208 -0.515) 16.394 12.214 ( 9.918 5.017 2.633) 11.422 12.318 ( 8.914 0.563 1.488) 9.055 12.676 ( 8.045 1.596 -2.006) 8.443 12.802 ( 5.377 -3.276 -2.956) 6.956 14.397 ( -12.963 12.125 0.851) 17.770 14.516 ( 6.491 6.589 4.201) 10.158 14.696 ( 12.000 -1.892 11.694) 16.862 14.845 ( -12.141 -0.663 1.080) 12.207 15.202 ( -11.898 -6.782 -1.414) 13.768 15.490 ( -5.548 1.178 -2.856) 6.350 15.544 ( -5.747 -0.516 1.703) 6.016 16.003 ( 2.336 -6.363 -6.736) 9.556 20.412 ( -4.192 4.269 3.375) 6.869 20.563 ( -4.865 -1.754 -1.052) 5.277 22.129 ( 4.493 1.381 -4.922) 6.806 22.331 ( 2.787 -5.941 -6.584) 9.296 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 3.341 2.379 3.114) 5.150 1.890 ( 14.282 -4.787 2.967) 15.352 2.071 ( 7.060 6.364 4.536) 10.532 2.248 ( -2.198 3.170 -1.173) 4.032 2.450 ( -4.397 -3.554 -0.620) 5.687 2.606 ( -4.953 -8.913 -4.218) 11.034 2.738 ( -0.899 0.408 -4.075) 4.193 2.841 ( -4.630 1.982 -3.374) 6.062 2.942 ( 4.872 -6.102 4.368) 8.948 3.096 ( 0.659 -3.119 -5.608) 6.451 3.165 ( -12.446 6.965 -5.588) 15.318 3.450 ( -8.286 -4.830 -4.092) 10.427 3.661 ( -9.749 -0.643 8.259) 12.793 3.769 ( -13.319 3.721 2.897) 14.129 4.028 ( -1.482 -0.365 14.474) 14.554 4.330 ( -5.971 -10.041 12.215) 16.902 4.399 ( -14.013 -4.209 9.999) 17.721 4.617 ( -4.379 2.838 0.788) 5.278 4.777 ( -2.623 1.811 -1.139) 3.384 4.834 ( 8.460 7.073 -3.590) 11.596 5.226 ( 0.436 5.406 -3.034) 6.215 5.401 ( 1.418 -1.673 -4.993) 5.454 5.544 ( 2.732 0.669 6.118) 6.734 5.725 ( -0.496 -6.163 13.451) 14.804 5.885 ( -0.540 1.796 -4.777) 5.132 5.986 ( 3.584 1.671 5.266) 6.586 6.244 ( 5.618 5.142 -4.414) 8.802 6.503 ( -1.128 -3.806 -3.677) 5.411 7.028 ( -0.937 5.826 2.679) 6.480 7.364 ( -4.607 -5.423 5.922) 9.258 7.556 ( -0.553 11.518 -3.993) 12.203 7.831 ( 7.240 3.469 1.382) 8.146 7.894 ( -3.001 -1.700 -1.788) 3.885 8.119 ( 1.162 -0.569 1.074) 1.682 9.036 ( 4.961 3.394 4.109) 7.281 9.154 ( 1.715 -2.563 2.557) 4.006 9.620 ( -0.651 6.312 -5.080) 8.128 9.717 ( 0.152 6.690 3.835) 7.713 9.837 ( 5.527 2.125 -3.399) 6.828 10.106 ( 4.748 -1.157 -6.556) 8.177 10.498 ( -6.429 9.036 2.829) 11.445 10.814 ( -12.199 1.228 -4.137) 12.939 11.017 ( -0.771 -3.424 3.139) 4.709 11.194 ( 1.105 -12.320 -3.166) 12.769 12.375 ( 5.349 0.799 1.820) 5.707 12.442 ( 3.593 -1.635 0.694) 4.008 12.781 ( 6.763 1.487 -1.825) 7.161 12.859 ( 5.728 -1.400 -3.320) 6.767 14.210 ( -6.922 5.076 -1.414) 8.699 14.469 ( -9.726 -0.205 -0.281) 9.733 14.775 ( -8.928 -7.903 1.892) 12.072 14.951 ( -1.674 -8.298 4.474) 9.575 15.125 ( 4.654 2.285 9.505) 10.827 15.284 ( -8.149 -7.310 6.545) 12.754 15.601 ( 7.879 10.841 -4.713) 14.207 15.939 ( 1.381 -3.694 -9.206) 10.015 20.374 ( -4.245 -2.401 2.108) 5.313 20.457 ( -7.396 -5.635 2.308) 9.580 22.145 ( 4.485 2.196 -5.366) 7.330 22.287 ( 1.613 -3.288 -6.929) 7.837 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 6.606 5.417 6.063) 10.476 2.162 ( -2.751 3.357 -3.754) 5.738 2.214 ( 9.660 -3.198 9.157) 13.690 2.271 ( 7.238 1.704 4.781) 8.840 2.441 ( 3.600 0.353 -0.096) 3.619 2.469 ( -1.739 -0.653 -5.905) 6.190 2.658 ( 1.535 2.345 -8.151) 8.620 2.723 ( -3.466 5.628 -3.198) 7.343 2.883 ( -13.197 9.889 1.254) 16.539 3.048 ( 4.166 -3.195 -3.352) 6.229 3.175 ( 2.514 -8.472 6.407) 10.916 3.306 ( -2.770 -9.171 -1.188) 9.654 3.538 ( -9.257 -2.462 2.566) 9.916 3.656 ( -4.265 -11.242 2.469) 12.275 4.008 ( -15.620 -14.314 5.201) 21.816 4.092 ( -14.294 -23.515 -0.767) 27.529 4.472 ( -1.211 7.980 10.217) 13.021 4.596 ( -2.491 1.945 3.277) 4.553 4.738 ( 2.836 6.685 -3.653) 8.129 4.905 ( 2.224 7.712 -2.063) 8.287 5.265 ( 1.075 -1.534 3.270) 3.768 5.346 ( 2.635 -1.736 -6.456) 7.186 5.616 ( 0.756 0.174 1.227) 1.452 5.746 ( -0.399 -4.129 -3.510) 5.434 5.998 ( 1.405 7.081 15.068) 16.708 6.121 ( 2.282 4.159 5.555) 7.305 6.312 ( 4.846 2.260 0.321) 5.357 6.418 ( 1.308 -0.142 -8.304) 8.408 7.018 ( -2.846 6.283 1.233) 7.007 7.397 ( -0.664 -8.371 7.334) 11.149 7.468 ( -2.863 11.724 -4.353) 12.830 7.752 ( -6.598 1.241 -4.732) 8.214 8.001 ( 8.045 0.747 0.849) 8.124 8.143 ( -0.818 0.950 2.055) 2.407 9.090 ( -3.139 0.503 0.951) 3.318 9.207 ( 1.333 -2.996 2.913) 4.386 9.602 ( 6.989 6.317 -3.383) 10.010 9.774 ( 1.549 7.248 0.082) 7.412 9.876 ( 2.795 -4.933 -1.335) 5.825 10.102 ( -0.070 -7.048 -4.936) 8.605 10.425 ( 0.380 12.883 -1.513) 12.977 10.611 ( -9.275 7.473 0.710) 11.932 11.051 ( -0.485 -3.626 3.421) 5.009 11.206 ( 2.320 -9.000 -1.255) 9.379 12.440 ( 2.071 -2.921 -1.342) 3.824 12.466 ( -1.251 -3.599 1.490) 4.091 12.863 ( 3.871 1.907 -0.060) 4.316 12.915 ( 4.429 -0.240 -2.517) 5.100 14.124 ( -1.560 -1.601 -1.479) 2.680 14.331 ( -4.937 -9.684 -0.779) 10.897 14.615 ( -7.030 -5.235 0.548) 8.782 14.781 ( -13.815 -12.583 0.301) 18.689 15.354 ( 6.861 4.221 8.060) 11.395 15.427 ( 3.178 1.062 11.431) 11.912 15.669 ( 7.118 6.385 -6.226) 11.410 15.837 ( -0.443 -0.861 -8.664) 8.718 20.314 ( -3.646 -5.999 0.172) 7.023 20.394 ( -4.246 -9.273 3.758) 10.869 22.155 ( 2.938 1.802 -3.486) 4.902 22.230 ( 0.080 -1.203 -4.648) 4.802 ======================= Grid point 38 (24/160) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.000 8.062 -0.000) 8.062 2.045 ( 0.000 4.366 0.000) 4.366 2.353 ( -0.000 -0.818 0.000) 0.818 2.381 ( 0.000 0.656 -0.000) 0.656 2.431 ( -0.000 1.963 -0.000) 1.963 2.493 ( 0.000 9.721 0.000) 9.721 2.648 ( 0.000 -3.039 -0.000) 3.039 2.663 ( -0.000 4.437 0.000) 4.437 2.759 ( 0.000 8.271 -0.000) 8.271 3.060 ( -0.000 -3.641 0.000) 3.641 3.215 ( -0.000 -3.796 -0.000) 3.796 3.280 ( 0.000 -5.842 -0.000) 5.842 3.559 ( 0.000 -18.055 -0.000) 18.055 3.603 ( 0.000 -13.560 0.000) 13.560 3.871 ( 0.000 -15.036 0.000) 15.036 3.899 ( -0.000 -24.680 -0.000) 24.680 4.551 ( -0.000 5.859 -0.000) 5.859 4.592 ( 0.000 3.864 0.000) 3.864 4.742 ( 0.000 8.048 0.000) 8.048 4.902 ( -0.000 7.690 -0.000) 7.690 5.264 ( 0.000 1.176 -0.000) 1.176 5.363 ( -0.000 -6.795 0.000) 6.795 5.619 ( -0.000 0.505 0.000) 0.505 5.729 ( 0.000 -3.026 0.000) 3.026 6.133 ( 0.000 5.235 0.000) 5.235 6.157 ( -0.000 4.622 -0.000) 4.622 6.316 ( 0.000 3.804 0.000) 3.804 6.433 ( 0.000 -0.520 -0.000) 0.520 6.989 ( 0.000 9.369 -0.000) 9.369 7.399 ( -0.000 12.020 0.000) 12.020 7.487 ( -0.000 -13.127 0.000) 13.127 7.616 ( 0.000 2.815 -0.000) 2.815 8.092 ( 0.000 0.385 -0.000) 0.385 8.139 ( -0.000 2.717 0.000) 2.717 9.043 ( -0.000 1.915 -0.000) 1.915 9.253 ( 0.000 -6.247 0.000) 6.247 9.682 ( 0.000 5.231 0.000) 5.231 9.753 ( -0.000 2.424 -0.000) 2.424 9.923 ( -0.000 -4.658 0.000) 4.658 10.025 ( 0.000 -7.107 0.000) 7.107 10.487 ( -4.268 11.082 1.022) 11.920 10.487 ( 4.268 13.401 -1.022) 14.102 11.069 ( 0.000 -3.346 0.000) 3.346 11.221 ( 0.000 -8.062 0.000) 8.062 12.439 ( 0.000 -3.830 -0.000) 3.830 12.465 ( -0.000 -5.032 0.000) 5.032 12.899 ( -0.000 2.008 0.000) 2.008 12.939 ( 0.000 0.170 -0.000) 0.170 14.105 ( 0.000 -4.650 0.000) 4.650 14.283 ( -0.000 -11.967 0.000) 11.967 14.591 ( 0.000 -7.995 0.000) 7.995 14.618 ( -0.000 -8.099 0.000) 8.099 15.477 ( 0.000 4.629 0.000) 4.629 15.547 ( -0.000 2.125 -0.000) 2.125 15.681 ( 0.000 4.076 0.000) 4.076 15.763 ( 0.000 0.603 -0.000) 0.603 20.280 ( -0.000 -6.891 0.000) 6.891 20.383 ( 0.000 -10.883 0.000) 10.883 22.163 ( 0.000 1.095 0.000) 1.095 22.195 ( 0.000 -0.064 0.000) 0.064 ======================= Grid point 44 (25/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 0.000 -10.372 0.000) 10.372 2.122 ( 0.000 10.372 0.000) 10.372 2.295 ( 0.000 -11.720 0.000) 11.720 2.295 ( 0.000 11.720 0.000) 11.720 2.390 ( 0.000 -16.537 0.000) 16.537 2.390 ( 0.000 16.537 0.000) 16.537 2.809 ( 0.000 -9.426 0.000) 9.426 2.809 ( 0.000 9.426 0.000) 9.426 3.018 ( 0.000 -9.121 0.000) 9.121 3.018 ( 0.000 9.121 0.000) 9.121 3.459 ( 0.000 -6.426 0.000) 6.426 3.459 ( 0.000 6.426 0.000) 6.426 3.570 ( 0.000 -4.053 0.000) 4.053 3.570 ( 0.000 4.053 0.000) 4.053 4.555 ( 0.000 -10.564 0.000) 10.564 4.555 ( 0.000 10.564 0.000) 10.564 4.694 ( 0.000 -12.394 0.000) 12.394 4.694 ( 0.000 12.394 0.000) 12.394 5.117 ( 0.000 -9.328 0.000) 9.328 5.117 ( 0.000 9.328 0.000) 9.328 5.181 ( 0.000 -0.409 0.000) 0.409 5.181 ( 0.000 0.409 0.000) 0.409 5.422 ( 0.000 -1.433 0.000) 1.433 5.422 ( 0.000 1.433 0.000) 1.433 5.876 ( 0.000 -3.212 0.000) 3.212 5.876 ( 0.000 3.212 0.000) 3.212 6.517 ( 0.000 -13.965 0.000) 13.965 6.517 ( 0.000 13.965 0.000) 13.965 7.063 ( 0.000 -4.514 0.000) 4.514 7.063 ( 0.000 4.514 0.000) 4.514 7.605 ( 0.000 -1.696 0.000) 1.696 7.605 ( 0.000 1.696 0.000) 1.696 8.008 ( 0.000 -9.459 0.000) 9.459 8.008 ( 0.000 9.459 0.000) 9.459 9.042 ( 0.000 -5.565 0.000) 5.565 9.042 ( 0.000 5.565 0.000) 5.565 9.374 ( 0.000 -5.831 0.000) 5.831 9.374 ( 0.000 5.831 0.000) 5.831 10.082 ( 0.000 -10.335 0.000) 10.335 10.082 ( 0.000 10.335 0.000) 10.335 10.943 ( 0.000 -19.058 0.000) 19.058 10.943 ( 0.000 19.058 0.000) 19.058 11.405 ( 0.000 -10.165 0.000) 10.165 11.405 ( 0.000 10.165 0.000) 10.165 12.045 ( 0.000 -1.267 0.000) 1.267 12.045 ( 0.000 1.267 0.000) 1.267 12.599 ( 0.000 -5.437 0.000) 5.437 12.599 ( 0.000 5.437 0.000) 5.437 14.207 ( 0.000 -2.412 0.000) 2.412 14.207 ( 0.000 2.412 0.000) 2.412 15.263 ( 0.000 -18.918 0.000) 18.918 15.263 ( 0.000 18.918 0.000) 18.918 15.429 ( 0.000 -14.373 0.000) 14.373 15.429 ( 0.000 14.373 0.000) 14.373 15.791 ( 0.000 -13.923 0.000) 13.923 15.791 ( 0.000 13.923 0.000) 13.923 20.649 ( 0.000 -4.580 0.000) 4.580 20.649 ( 0.000 4.580 0.000) 4.580 22.165 ( 0.000 -6.720 0.000) 6.720 22.165 ( 0.000 6.720 0.000) 6.720 ======================= Grid point 46 (26/160) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -7.806 -8.162 -13.171) 17.350 1.941 ( -7.806 8.162 -13.171) 17.350 2.185 ( -5.089 -11.134 2.422) 12.479 2.185 ( -5.089 11.134 2.422) 12.479 2.508 ( 4.014 -5.645 1.189) 7.028 2.508 ( 4.014 5.645 1.189) 7.028 2.784 ( -2.459 -8.662 0.335) 9.011 2.784 ( -2.459 8.662 0.335) 9.011 3.134 ( 4.917 -5.300 -3.839) 8.186 3.134 ( 4.917 5.300 -3.839) 8.186 3.384 ( 6.284 -6.371 -1.653) 9.100 3.384 ( 6.284 6.371 -1.653) 9.100 3.688 ( -5.424 -4.592 16.001) 17.508 3.688 ( -5.424 4.592 16.001) 17.508 4.486 ( -8.753 -7.708 -0.204) 11.665 4.486 ( -8.753 7.708 -0.204) 11.665 4.687 ( -5.052 -11.073 4.153) 12.861 4.687 ( -5.052 11.073 4.153) 12.861 4.981 ( -9.086 -7.085 -1.969) 11.689 4.981 ( -9.086 7.085 -1.969) 11.689 5.217 ( 3.488 -3.758 0.997) 5.223 5.217 ( 3.488 3.758 0.997) 5.223 5.457 ( 0.665 -5.666 1.954) 6.030 5.457 ( 0.665 5.666 1.954) 6.030 5.883 ( 0.610 -3.260 1.518) 3.648 5.883 ( 0.610 3.260 1.518) 3.648 6.455 ( -2.756 -9.780 -4.188) 10.990 6.455 ( -2.756 9.780 -4.188) 10.990 7.156 ( 6.662 -10.474 1.003) 12.453 7.156 ( 6.662 10.474 1.003) 12.453 7.609 ( 1.283 -1.919 0.413) 2.345 7.609 ( 1.283 1.919 0.413) 2.345 8.017 ( 0.320 -7.919 0.322) 7.932 8.017 ( 0.320 7.919 0.322) 7.932 9.002 ( -1.857 -6.434 -0.428) 6.711 9.002 ( -1.857 6.434 -0.428) 6.711 9.480 ( 7.166 -4.921 3.892) 9.524 9.480 ( 7.166 4.921 3.892) 9.524 10.067 ( -2.346 -8.429 0.677) 8.776 10.067 ( -2.346 8.429 0.677) 8.776 10.904 ( -0.323 -17.171 -3.914) 17.615 10.904 ( -0.323 17.171 -3.914) 17.615 11.302 ( -10.510 -8.183 -1.155) 13.370 11.302 ( -10.510 8.183 -1.155) 13.370 12.136 ( 8.782 -2.698 0.540) 9.203 12.136 ( 8.782 2.698 0.540) 9.203 12.640 ( 4.900 -4.712 -0.874) 6.854 12.640 ( 4.900 4.712 -0.874) 6.854 14.330 ( 8.750 -2.626 6.906) 11.452 14.330 ( 8.750 2.626 6.906) 11.452 15.046 ( -17.783 -16.040 -2.259) 24.055 15.046 ( -17.783 16.040 -2.259) 24.055 15.429 ( -5.543 -13.681 0.127) 14.762 15.429 ( -5.543 13.681 0.127) 14.762 15.791 ( 2.017 -13.866 -1.853) 14.134 15.791 ( 2.017 13.866 -1.853) 14.134 20.609 ( -5.068 -4.724 0.712) 6.965 20.609 ( -5.068 4.724 0.712) 6.965 22.180 ( 4.051 -6.499 -3.669) 8.492 22.180 ( 4.051 6.499 -3.669) 8.492 ======================= Grid point 48 (27/160) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.245 -6.013 -8.581) 10.481 1.720 ( -0.245 6.013 -8.581) 10.481 2.163 ( -2.047 -12.676 4.093) 13.476 2.163 ( -2.047 12.676 4.093) 13.476 2.523 ( -1.641 -6.524 -1.537) 6.900 2.523 ( -1.641 6.524 -1.537) 6.900 2.771 ( -0.834 -6.470 2.861) 7.124 2.771 ( -0.834 6.470 2.861) 7.124 3.046 ( 1.949 -6.894 -12.253) 14.193 3.046 ( 1.949 6.894 -12.253) 14.193 3.512 ( -2.210 -6.644 -1.786) 7.226 3.512 ( -2.210 6.644 -1.786) 7.226 3.764 ( -5.512 -2.732 18.441) 19.440 3.764 ( -5.512 2.732 18.441) 19.440 4.259 ( -17.943 -10.366 3.316) 20.985 4.259 ( -17.943 10.366 3.316) 20.985 4.598 ( -9.458 -11.047 5.367) 15.501 4.598 ( -9.458 11.047 5.367) 15.501 4.879 ( -2.577 -2.248 -0.219) 3.427 4.879 ( -2.577 2.248 -0.219) 3.427 5.321 ( 5.214 -3.369 1.850) 6.477 5.321 ( 5.214 3.369 1.850) 6.477 5.479 ( 0.097 -5.804 2.660) 6.385 5.479 ( 0.097 5.804 2.660) 6.385 5.919 ( 1.646 -2.869 -0.332) 3.325 5.919 ( 1.646 2.869 -0.332) 3.325 6.381 ( 0.740 -8.263 -3.476) 8.995 6.381 ( 0.740 8.263 -3.476) 8.995 7.221 ( -1.045 -10.723 1.436) 10.869 7.221 ( -1.045 10.723 1.436) 10.869 7.682 ( 5.361 -1.761 0.849) 5.707 7.682 ( 5.361 1.761 0.849) 5.707 8.016 ( -0.185 -5.987 -0.425) 6.005 8.016 ( -0.185 5.987 -0.425) 6.005 9.017 ( 2.158 -5.598 2.369) 6.450 9.017 ( 2.158 5.598 2.369) 6.450 9.646 ( 5.260 -3.531 4.110) 7.551 9.646 ( 5.260 3.531 4.110) 7.551 10.020 ( -1.877 -7.495 -1.913) 7.959 10.020 ( -1.877 7.495 -1.913) 7.959 10.874 ( -0.189 -15.918 -1.356) 15.977 10.874 ( -0.189 15.918 -1.356) 15.977 11.066 ( -10.432 -2.514 -4.391) 11.594 11.066 ( -10.432 2.514 -4.391) 11.594 12.301 ( 8.282 -2.578 0.552) 8.692 12.301 ( 8.282 2.578 0.552) 8.692 12.727 ( 6.631 -3.319 -1.632) 7.593 12.727 ( 6.631 3.319 -1.632) 7.593 14.618 ( 8.504 -3.763 10.532) 14.050 14.618 ( 8.504 3.763 10.532) 14.050 14.690 ( -16.730 -10.983 -3.135) 20.257 14.690 ( -16.730 10.983 -3.135) 20.257 15.249 ( -13.874 -10.021 1.820) 17.211 15.249 ( -13.874 10.021 1.820) 17.211 15.810 ( 4.498 -12.008 -5.229) 13.848 15.810 ( 4.498 12.008 -5.229) 13.848 20.501 ( -8.701 -3.910 1.684) 9.687 20.501 ( -8.701 3.910 1.684) 9.687 22.205 ( 5.271 -5.477 -5.999) 9.683 22.205 ( 5.271 5.477 -5.999) 9.683 ======================= Grid point 50 (28/160) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.155 -6.928 0.758) 11.506 1.757 ( 9.155 6.928 0.758) 11.506 2.211 ( 1.033 -7.447 4.862) 8.954 2.211 ( 1.033 7.447 4.862) 8.954 2.457 ( -1.704 -5.545 -2.508) 6.320 2.457 ( -1.704 5.545 -2.508) 6.320 2.809 ( 1.805 -5.744 1.290) 6.158 2.809 ( 1.805 5.744 1.290) 6.158 2.954 ( 0.722 -7.994 -7.107) 10.721 2.954 ( 0.722 7.994 -7.107) 10.721 3.320 ( -9.823 -6.445 -4.624) 12.626 3.320 ( -9.823 6.445 -4.624) 12.626 3.785 ( -15.886 -6.780 8.330) 19.176 3.785 ( -15.886 6.780 8.330) 19.176 4.018 ( -16.129 -6.884 6.953) 18.865 4.018 ( -16.129 6.884 6.953) 18.865 4.551 ( -6.287 -7.590 9.403) 13.622 4.551 ( -6.287 7.590 9.403) 13.622 4.866 ( 3.982 -4.114 -3.151) 6.535 4.866 ( 3.982 4.114 -3.151) 6.535 5.335 ( 0.042 -4.771 -4.840) 6.796 5.335 ( 0.042 4.771 -4.840) 6.796 5.591 ( 2.544 -4.607 7.445) 9.117 5.591 ( 2.544 4.607 7.445) 9.117 5.960 ( 2.790 -3.273 4.253) 6.048 5.960 ( 2.790 3.273 4.253) 6.048 6.384 ( 3.639 -6.995 -4.595) 9.126 6.384 ( 3.639 6.995 -4.595) 9.126 7.194 ( -4.519 -9.124 3.912) 10.907 7.194 ( -4.519 9.124 3.912) 10.907 7.752 ( 1.732 -7.079 -1.914) 7.535 7.752 ( 1.732 7.079 -1.914) 7.535 8.023 ( 1.484 -7.839 0.920) 8.031 8.023 ( 1.484 7.839 0.920) 8.031 9.099 ( 1.876 -2.652 3.567) 4.825 9.099 ( 1.876 2.652 3.567) 4.825 9.729 ( 0.912 -3.913 1.068) 4.157 9.729 ( 0.912 3.913 1.068) 4.157 9.974 ( 1.465 -9.150 -4.992) 10.526 9.974 ( 1.465 9.150 -4.992) 10.526 10.763 ( -9.339 -10.671 -0.081) 14.180 10.763 ( -9.339 10.671 -0.081) 14.180 10.985 ( 3.797 -3.564 -1.971) 5.568 10.985 ( 3.797 3.564 -1.971) 5.568 12.405 ( 3.036 -1.830 0.076) 3.545 12.405 ( 3.036 1.830 0.076) 3.545 12.820 ( 6.363 -2.087 -1.741) 6.919 12.820 ( 6.363 2.087 -1.741) 6.919 14.363 ( -14.276 -8.532 -1.819) 16.731 14.363 ( -14.276 8.532 -1.819) 16.731 14.770 ( -7.583 -6.818 2.452) 10.488 14.770 ( -7.583 6.818 2.452) 10.488 15.184 ( 3.086 -3.228 10.148) 11.087 15.184 ( 3.086 3.228 10.148) 11.087 15.811 ( 4.689 -8.425 -7.834) 12.423 15.811 ( 4.689 8.425 -7.834) 12.423 20.369 ( -9.103 -2.180 2.634) 9.724 20.369 ( -9.103 2.180 2.634) 9.724 22.210 ( 3.900 -3.731 -6.268) 8.271 22.210 ( 3.900 3.731 -6.268) 8.271 ======================= Grid point 52 (29/160) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 8.954 -10.467 4.467) 14.480 1.973 ( 8.954 10.467 4.467) 14.480 2.295 ( 1.864 -2.617 4.994) 5.938 2.295 ( 1.864 2.617 4.994) 5.938 2.452 ( 5.510 -1.727 -3.289) 6.645 2.452 ( 5.510 1.727 -3.289) 6.645 2.840 ( 4.441 -11.787 -6.293) 14.080 2.840 ( 4.441 11.787 -6.293) 14.081 2.906 ( -1.748 -8.855 0.531) 9.041 2.906 ( -1.748 8.855 0.531) 9.041 3.136 ( -8.883 -10.804 0.522) 13.997 3.136 ( -8.883 10.804 0.522) 13.997 3.549 ( -15.600 -3.781 5.716) 17.039 3.549 ( -15.600 3.781 5.716) 17.039 3.800 ( -13.452 -3.660 -1.035) 13.979 3.800 ( -13.452 3.660 -1.035) 13.979 4.587 ( -2.523 -2.786 8.144) 8.969 4.587 ( -2.523 2.786 8.144) 8.969 4.918 ( 4.371 -6.799 -2.334) 8.413 4.918 ( 4.371 6.799 -2.334) 8.413 5.281 ( -0.121 -3.461 -3.068) 4.627 5.281 ( -0.121 3.461 -3.068) 4.627 5.657 ( 1.207 -3.510 -0.330) 3.727 5.657 ( 1.207 3.510 -0.330) 3.727 6.121 ( 1.359 -3.802 11.820) 12.490 6.121 ( 1.359 3.802 11.820) 12.490 6.377 ( 4.203 -3.353 -6.398) 8.357 6.377 ( 4.203 3.353 -6.398) 8.357 7.188 ( -2.460 -9.848 5.365) 11.481 7.188 ( -2.460 9.848 5.365) 11.481 7.680 ( -3.706 -7.753 -5.116) 10.001 7.680 ( -3.706 7.753 -5.116) 10.001 8.089 ( 2.850 -5.519 2.155) 6.575 8.089 ( 2.850 5.519 2.155) 6.575 9.132 ( -1.692 -3.420 1.759) 4.201 9.132 ( -1.692 3.420 1.759) 4.201 9.746 ( 3.165 -6.866 -2.457) 7.950 9.746 ( 3.165 6.866 -2.457) 7.950 9.935 ( -0.791 -8.041 -2.745) 8.533 9.935 ( -0.791 8.041 -2.745) 8.533 10.661 ( -2.830 -5.803 0.453) 6.472 10.661 ( -2.830 5.803 0.453) 6.472 11.037 ( 2.388 -4.722 0.373) 5.305 11.037 ( 2.388 4.722 0.373) 5.305 12.416 ( -0.776 -0.806 -0.368) 1.177 12.416 ( -0.776 0.806 -0.368) 1.177 12.897 ( 4.168 -1.312 -0.896) 4.461 12.897 ( 4.168 1.312 -0.896) 4.461 14.166 ( -6.495 -5.458 -1.238) 8.573 14.166 ( -6.495 5.458 -1.238) 8.573 14.603 ( -9.202 -4.129 0.251) 10.089 14.603 ( -9.202 4.129 0.251) 10.089 15.420 ( 5.606 -1.818 10.417) 11.969 15.420 ( 5.606 1.818 10.417) 11.969 15.783 ( 3.291 -4.218 -8.245) 9.829 15.783 ( 3.291 4.218 -8.245) 9.829 20.268 ( -5.719 -2.067 2.256) 6.486 20.268 ( -5.719 2.067 2.256) 6.486 22.195 ( 1.782 -1.934 -4.109) 4.879 22.195 ( 1.782 1.934 -4.109) 4.879 ======================= Grid point 54 (30/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 -2.032 0.000) 2.032 2.080 ( 0.000 2.032 0.000) 2.032 2.362 ( 0.000 -1.591 0.000) 1.591 2.362 ( 0.000 1.591 0.000) 1.591 2.516 ( 0.000 -4.846 0.000) 4.846 2.516 ( -0.000 4.846 -0.000) 4.846 2.816 ( 0.000 -5.062 0.000) 5.062 2.816 ( 0.000 5.062 0.000) 5.062 2.890 ( -0.000 -17.583 0.000) 17.583 2.890 ( 0.000 17.583 0.000) 17.583 3.053 ( 0.000 -11.239 0.000) 11.239 3.053 ( 0.000 11.239 0.000) 11.239 3.466 ( -0.000 -0.697 0.000) 0.697 3.466 ( 0.000 0.697 0.000) 0.697 3.639 ( 0.000 -3.228 0.000) 3.228 3.639 ( -0.000 3.228 -0.000) 3.228 4.623 ( 0.000 -1.043 0.000) 1.043 4.623 ( 0.000 1.043 0.000) 1.043 4.939 ( 0.000 -6.080 0.000) 6.080 4.939 ( 0.000 6.080 0.000) 6.080 5.263 ( 0.000 -0.918 0.000) 0.918 5.263 ( 0.000 0.918 -0.000) 0.918 5.662 ( 0.000 -3.042 0.000) 3.042 5.662 ( 0.000 3.042 0.000) 3.042 6.197 ( 0.000 -0.773 0.000) 0.773 6.197 ( 0.000 0.773 -0.000) 0.773 6.392 ( 0.000 -3.121 0.000) 3.121 6.392 ( 0.000 3.121 0.000) 3.121 7.212 ( 0.000 -12.220 0.000) 12.220 7.212 ( 0.000 12.220 -0.000) 12.220 7.593 ( 0.000 -5.707 0.000) 5.707 7.593 ( 0.000 5.707 0.000) 5.707 8.132 ( 0.000 -2.666 0.000) 2.666 8.132 ( 0.000 2.666 0.000) 2.666 9.119 ( 0.000 -5.629 0.000) 5.629 9.119 ( 0.000 5.629 0.000) 5.629 9.768 ( 0.000 -2.502 0.000) 2.502 9.768 ( 0.000 2.502 0.000) 2.502 9.903 ( 0.000 -3.719 0.000) 3.719 9.903 ( 0.000 3.719 0.000) 3.719 10.646 ( 0.000 -1.307 0.000) 1.307 10.646 ( 0.000 1.307 0.000) 1.307 11.061 ( -0.000 -4.892 0.000) 4.892 11.061 ( 0.000 4.892 0.000) 4.892 12.401 ( 0.000 -0.624 0.000) 0.624 12.401 ( 0.000 0.624 0.000) 0.624 12.930 ( 0.000 -0.977 0.000) 0.977 12.930 ( 0.000 0.977 0.000) 0.977 14.105 ( 0.000 -4.530 0.000) 4.530 14.105 ( 0.000 4.530 0.000) 4.530 14.520 ( 0.000 -0.957 0.000) 0.957 14.520 ( 0.000 0.957 0.000) 0.957 15.549 ( 0.000 -1.884 0.000) 1.884 15.549 ( 0.000 1.884 0.000) 1.884 15.748 ( 0.000 -2.069 0.000) 2.069 15.748 ( 0.000 2.069 0.000) 2.069 20.232 ( 0.000 -2.674 0.000) 2.674 20.232 ( 0.000 2.674 0.000) 2.674 22.184 ( 0.000 -0.868 0.000) 0.868 22.184 ( 0.000 0.868 -0.000) 0.868 ======================= Grid point 99 (31/160) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.723 0.000 28.269) 28.278 0.663 ( 5.657 0.000 32.116) 32.610 1.305 ( -6.835 0.000 62.748) 63.120 2.226 ( -2.971 0.000 -11.285) 11.670 2.497 ( -0.049 0.000 -5.991) 5.991 2.655 ( 1.039 0.000 -3.079) 3.250 2.985 ( -1.255 0.000 -15.452) 15.502 3.028 ( -0.638 0.000 -3.208) 3.271 3.279 ( 8.821 0.000 4.679) 9.985 3.396 ( 3.704 0.000 4.507) 5.833 3.431 ( -3.382 0.000 5.280) 6.270 3.683 ( -5.542 0.000 12.947) 14.083 3.693 ( 0.213 0.000 5.269) 5.273 3.878 ( 11.658 0.000 14.802) 18.842 4.037 ( 1.970 0.000 -7.405) 7.662 4.129 ( 4.550 0.000 -2.152) 5.033 4.257 ( 7.331 0.000 -7.348) 10.380 4.408 ( 2.525 0.000 -0.494) 2.573 4.509 ( -16.156 0.000 2.487) 16.346 4.687 ( -1.127 0.000 -3.501) 3.678 4.787 ( -3.234 0.000 -3.363) 4.666 5.078 ( 12.565 0.000 5.586) 13.751 5.488 ( 1.927 0.000 -5.227) 5.571 5.610 ( -2.217 0.000 3.380) 4.042 5.798 ( -0.575 0.000 6.130) 6.156 5.815 ( -19.316 0.000 -1.019) 19.343 6.366 ( 2.608 0.000 -10.601) 10.917 6.485 ( 1.673 0.000 -7.297) 7.486 6.534 ( 5.431 0.000 6.765) 8.675 7.040 ( -3.715 0.000 0.554) 3.756 7.128 ( -1.818 0.000 2.963) 3.476 7.575 ( -1.147 0.000 -0.983) 1.511 8.055 ( -2.743 0.000 7.315) 7.812 8.222 ( 1.404 0.000 -1.860) 2.330 8.365 ( 2.799 0.000 -9.243) 9.658 9.002 ( -1.016 0.000 4.790) 4.897 9.391 ( 0.124 0.000 2.572) 2.575 9.449 ( 1.723 0.000 -9.039) 9.202 9.858 ( 0.603 0.000 -10.155) 10.173 10.553 ( -1.550 0.000 -13.551) 13.639 10.605 ( -1.722 0.000 13.835) 13.942 11.042 ( 1.642 0.000 10.442) 10.570 11.592 ( -1.305 0.000 -3.083) 3.348 11.604 ( -11.705 0.000 8.824) 14.658 11.987 ( -2.848 0.000 3.754) 4.711 11.996 ( 5.660 0.000 -0.406) 5.675 12.361 ( -0.812 0.000 -0.853) 1.178 12.836 ( -0.099 0.000 -5.954) 5.954 13.816 ( -3.941 0.000 0.861) 4.034 13.921 ( 0.015 0.000 0.478) 0.479 14.364 ( -0.747 0.000 13.013) 13.035 14.608 ( 13.188 0.000 -0.500) 13.197 14.902 ( 0.579 0.000 -5.414) 5.445 15.826 ( 0.165 0.000 -5.220) 5.223 16.106 ( -0.740 0.000 0.580) 0.940 16.288 ( 0.471 0.000 -3.236) 3.270 19.968 ( 0.365 0.000 5.319) 5.331 20.301 ( -3.110 0.000 -0.219) 3.117 22.270 ( 0.519 0.000 -1.516) 1.602 22.559 ( -0.160 0.000 -6.108) 6.110 ======================= Grid point 100 (32/160) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 14.935 0.000 21.739) 26.375 1.258 ( 18.141 0.000 26.047) 31.742 2.028 ( -1.312 0.000 -14.009) 14.070 2.063 ( 13.041 0.000 45.430) 47.264 2.331 ( -1.506 0.000 -12.435) 12.526 2.661 ( 1.764 0.000 -5.243) 5.532 2.774 ( 0.116 0.000 -11.073) 11.073 3.092 ( 3.147 0.000 5.115) 6.006 3.121 ( -13.452 0.000 -2.640) 13.708 3.481 ( 2.407 0.000 -0.868) 2.559 3.581 ( -9.484 0.000 6.992) 11.783 3.664 ( -7.967 0.000 13.458) 15.640 3.778 ( -6.655 0.000 6.146) 9.059 3.831 ( -12.988 0.000 13.329) 18.611 3.957 ( 2.251 0.000 -7.153) 7.499 4.126 ( -0.524 0.000 -0.186) 0.556 4.183 ( -4.291 0.000 -3.368) 5.455 4.386 ( 6.001 0.000 -3.171) 6.787 4.595 ( 14.998 0.000 -0.534) 15.008 4.774 ( 2.746 0.000 0.833) 2.870 4.837 ( 11.971 0.000 -9.119) 15.048 5.279 ( -10.599 0.000 4.909) 11.680 5.501 ( 19.669 0.000 9.526) 21.855 5.642 ( -0.775 0.000 6.932) 6.976 5.673 ( -5.703 0.000 -5.205) 7.721 5.923 ( 7.526 0.000 5.541) 9.346 6.268 ( -1.885 0.000 -7.629) 7.858 6.400 ( 7.373 0.000 -15.390) 17.065 6.730 ( 6.705 0.000 5.799) 8.865 6.961 ( -1.134 0.000 -6.313) 6.414 7.151 ( -2.918 0.000 5.748) 6.447 7.608 ( 6.735 0.000 -1.042) 6.815 8.103 ( -1.219 0.000 1.215) 1.721 8.253 ( -2.492 0.000 -7.194) 7.614 8.292 ( 7.310 0.000 8.722) 11.380 9.040 ( -1.682 0.000 5.306) 5.567 9.312 ( 2.582 0.000 -14.197) 14.430 9.432 ( -3.069 0.000 2.212) 3.783 9.743 ( -5.400 0.000 -0.038) 5.400 10.293 ( -7.730 0.000 -15.692) 17.493 10.699 ( -4.287 0.000 12.455) 13.172 11.181 ( -0.889 0.000 12.046) 12.079 11.400 ( -12.815 0.000 -5.639) 14.001 11.703 ( 0.411 0.000 0.290) 0.503 12.026 ( 11.233 0.000 0.595) 11.249 12.188 ( 6.510 0.000 9.401) 11.435 12.431 ( 9.559 0.000 -2.618) 9.911 12.747 ( 0.547 0.000 -8.680) 8.697 13.862 ( 5.760 0.000 3.392) 6.685 13.978 ( 7.031 0.000 -1.611) 7.214 14.592 ( 4.973 0.000 15.152) 15.947 14.704 ( 4.743 0.000 -0.098) 4.744 14.883 ( 4.633 0.000 -2.115) 5.093 15.732 ( -0.623 0.000 -9.305) 9.326 16.057 ( -5.768 0.000 0.508) 5.790 16.231 ( -2.326 0.000 -3.609) 4.294 20.125 ( 8.592 0.000 7.053) 11.116 20.317 ( 5.061 0.000 -1.485) 5.275 22.256 ( -0.301 0.000 -1.259) 1.294 22.460 ( -1.362 0.000 -8.031) 8.146 ======================= Grid point 101 (33/160) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 13.062 0.000 16.269) 20.864 1.836 ( 15.673 0.000 19.904) 25.334 1.878 ( -0.100 0.000 -7.898) 7.898 2.113 ( 0.628 0.000 -15.817) 15.830 2.461 ( -9.243 0.000 -11.127) 14.465 2.490 ( 0.047 0.000 1.376) 1.377 2.943 ( 7.685 0.000 5.864) 9.667 3.019 ( -2.159 0.000 4.307) 4.818 3.248 ( 0.836 0.000 13.837) 13.863 3.309 ( -22.451 0.000 2.625) 22.604 3.397 ( -16.876 0.000 -1.578) 16.950 3.541 ( 5.230 0.000 5.268) 7.423 3.589 ( -7.654 0.000 -5.268) 9.292 3.995 ( 8.716 0.000 -1.958) 8.933 4.100 ( 13.175 0.000 14.010) 19.232 4.178 ( 1.506 0.000 5.757) 5.951 4.180 ( 4.045 0.000 -2.020) 4.521 4.509 ( 8.644 0.000 0.834) 8.684 4.727 ( -6.938 0.000 -5.232) 8.689 4.743 ( 4.454 0.000 -4.863) 6.595 4.974 ( 16.430 0.000 4.694) 17.087 5.364 ( 5.576 0.000 1.549) 5.787 5.427 ( -11.267 0.000 -5.197) 12.408 5.727 ( -0.589 0.000 8.288) 8.309 5.790 ( 3.407 0.000 5.544) 6.507 6.163 ( -3.590 0.000 -0.673) 3.652 6.223 ( 14.599 0.000 5.285) 15.526 6.369 ( 7.405 0.000 -13.504) 15.401 6.836 ( 1.081 0.000 -14.638) 14.678 6.912 ( 7.093 0.000 5.114) 8.744 7.107 ( -8.447 0.000 6.351) 10.568 7.719 ( 9.689 0.000 -5.525) 11.154 8.044 ( -2.875 0.000 -3.187) 4.293 8.136 ( -3.678 0.000 -3.496) 5.074 8.712 ( 18.844 0.000 19.209) 26.909 9.068 ( -1.580 0.000 3.984) 4.286 9.206 ( 7.670 0.000 -16.267) 17.984 9.381 ( -4.283 0.000 0.523) 4.315 9.685 ( -6.053 0.000 6.922) 9.195 9.971 ( -6.238 0.000 -13.863) 15.201 10.733 ( -6.790 0.000 8.099) 10.569 11.076 ( -13.684 0.000 -9.059) 16.411 11.297 ( -3.978 0.000 13.423) 14.000 11.615 ( -3.984 0.000 -5.246) 6.587 12.298 ( 12.991 0.000 5.188) 13.988 12.418 ( 6.342 0.000 9.617) 11.520 12.567 ( 9.813 0.000 -4.356) 10.736 12.669 ( 3.738 0.000 -9.172) 9.904 14.076 ( 13.364 0.000 4.158) 13.996 14.120 ( 12.287 0.000 -2.316) 12.504 14.775 ( 7.792 0.000 -1.018) 7.858 14.824 ( 9.102 0.000 0.320) 9.107 15.091 ( 7.710 0.000 14.933) 16.805 15.593 ( -0.684 0.000 -11.680) 11.700 15.922 ( -10.946 0.000 1.318) 11.025 16.117 ( -5.969 0.000 -3.668) 7.005 20.398 ( 12.829 0.000 6.107) 14.208 20.425 ( 9.321 0.000 -1.510) 9.443 22.224 ( -2.312 0.000 -0.388) 2.344 22.328 ( -2.736 0.000 -7.812) 8.277 ======================= Grid point 102 (34/160) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.004 0.000 1.400) 1.400 1.916 ( 8.431 0.000 8.303) 11.833 1.977 ( 4.047 0.000 -11.157) 11.869 2.108 ( 0.308 0.000 -4.562) 4.572 2.399 ( 7.565 0.000 12.312) 14.450 2.483 ( -0.569 0.000 -0.500) 0.758 2.723 ( -13.104 0.000 -8.844) 15.809 2.928 ( -22.712 0.000 0.352) 22.714 3.032 ( -2.405 0.000 3.133) 3.950 3.165 ( -4.151 0.000 -5.115) 6.588 3.360 ( -6.934 0.000 -10.335) 12.446 3.383 ( -4.368 0.000 10.935) 11.775 3.940 ( 11.670 0.000 12.346) 16.989 4.144 ( 7.685 0.000 -1.467) 7.824 4.214 ( -4.147 0.000 2.909) 5.065 4.230 ( 5.461 0.000 -2.827) 6.150 4.584 ( 14.831 0.000 8.564) 17.127 4.650 ( 12.704 0.000 -7.375) 14.689 4.669 ( 10.083 0.000 7.827) 12.765 4.750 ( 6.082 0.000 -6.186) 8.675 5.162 ( -7.658 0.000 -5.092) 9.196 5.320 ( 14.710 0.000 6.233) 15.976 5.460 ( 3.279 0.000 -0.938) 3.411 5.743 ( -5.050 0.000 2.076) 5.460 5.893 ( 1.299 0.000 5.938) 6.078 6.136 ( -0.898 0.000 2.131) 2.313 6.289 ( -2.097 0.000 -8.344) 8.604 6.349 ( -3.294 0.000 -0.515) 3.334 6.657 ( -1.614 0.000 -14.219) 14.311 6.857 ( -10.763 0.000 2.532) 11.057 7.345 ( 13.350 0.000 14.553) 19.748 7.792 ( 9.302 0.000 -9.877) 13.567 7.939 ( -4.177 0.000 -4.380) 6.053 8.042 ( -4.104 0.000 -0.396) 4.123 8.992 ( -5.983 0.000 1.877) 6.271 9.184 ( 7.987 0.000 -12.763) 15.056 9.316 ( 16.946 0.000 16.283) 23.501 9.335 ( 1.408 0.000 -1.107) 1.791 9.710 ( -1.710 0.000 8.788) 8.953 9.876 ( 9.482 0.000 -3.090) 9.973 10.645 ( -12.053 0.000 4.294) 12.795 10.723 ( -13.376 0.000 -10.809) 17.197 11.346 ( -7.024 0.000 9.808) 12.063 11.495 ( -1.512 0.000 -5.785) 5.979 12.549 ( 8.245 0.000 5.332) 9.819 12.609 ( 4.830 0.000 -6.591) 8.171 12.613 ( 3.887 0.000 7.581) 8.519 12.710 ( 8.631 0.000 -4.640) 9.800 14.347 ( 16.543 0.000 -1.221) 16.588 14.399 ( 17.836 0.000 4.112) 18.304 14.913 ( 12.590 0.000 -4.854) 13.493 15.013 ( 12.357 0.000 -0.396) 12.363 15.343 ( -0.093 0.000 11.332) 11.333 15.437 ( -1.647 0.000 -10.735) 10.861 15.736 ( -13.715 0.000 5.080) 14.626 15.937 ( -9.654 0.000 -4.051) 10.470 20.587 ( 10.633 0.000 -0.942) 10.675 20.675 ( 12.524 0.000 2.583) 12.787 22.173 ( -4.369 0.000 1.878) 4.756 22.194 ( -3.405 0.000 -4.907) 5.973 ======================= Grid point 103 (35/160) ======================= q-point: ( 0.40 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -4.877 0.000 8.165) 9.510 1.909 ( -5.874 0.000 -1.649) 6.101 1.957 ( 0.362 0.000 -4.865) 4.878 2.114 ( 10.274 0.000 -5.963) 11.879 2.521 ( -14.794 0.000 0.284) 14.797 2.557 ( 11.909 0.000 -2.045) 12.084 2.620 ( 2.081 0.000 3.445) 4.024 2.667 ( -4.844 0.000 6.586) 8.176 3.016 ( -4.437 0.000 -6.450) 7.828 3.060 ( 0.684 0.000 4.799) 4.847 3.146 ( -2.357 0.000 -7.644) 7.999 3.417 ( -7.476 0.000 8.673) 11.450 3.974 ( -2.363 0.000 -6.110) 6.551 4.200 ( 4.309 0.000 -4.450) 6.194 4.247 ( 0.988 0.000 -4.606) 4.711 4.319 ( 1.819 0.000 10.466) 10.623 4.627 ( -4.998 0.000 0.796) 5.061 4.711 ( 0.539 0.000 -3.077) 3.124 4.934 ( 28.908 0.000 -12.559) 31.519 5.020 ( 2.171 0.000 -4.081) 4.622 5.135 ( 16.525 0.000 -3.069) 16.808 5.580 ( 5.840 0.000 -0.555) 5.867 5.605 ( 8.147 0.000 9.178) 12.272 5.636 ( -5.760 0.000 3.244) 6.610 5.946 ( -3.438 0.000 4.625) 5.763 6.085 ( -10.058 0.000 -7.645) 12.634 6.161 ( -0.124 0.000 2.337) 2.340 6.187 ( -8.609 0.000 -4.116) 9.542 6.494 ( -1.768 0.000 -2.045) 2.703 6.775 ( -5.698 0.000 7.347) 9.298 7.675 ( 2.831 0.000 10.119) 10.508 7.805 ( 6.603 0.000 -9.806) 11.822 7.808 ( -1.917 0.000 -3.926) 4.369 8.004 ( -0.422 0.000 0.274) 0.503 8.900 ( -4.024 0.000 0.669) 4.079 9.149 ( 3.059 0.000 -6.968) 7.610 9.410 ( 5.989 0.000 0.152) 5.991 9.674 ( 6.780 0.000 7.632) 10.209 9.829 ( 5.222 0.000 4.305) 6.767 10.126 ( 12.060 0.000 3.611) 12.589 10.397 ( -7.980 0.000 -8.113) 11.380 10.443 ( -14.820 0.000 2.769) 15.076 11.287 ( -8.898 0.000 3.799) 9.675 11.437 ( 1.782 0.000 -4.354) 4.705 12.638 ( 5.017 0.000 -2.617) 5.659 12.682 ( 1.479 0.000 2.092) 2.562 12.735 ( 0.970 0.000 6.045) 6.122 12.800 ( 6.083 0.000 -1.669) 6.308 14.652 ( 19.410 0.000 0.189) 19.411 14.763 ( 18.684 0.000 3.385) 18.988 15.065 ( 12.605 0.000 -7.532) 14.683 15.155 ( 0.555 0.000 -5.274) 5.303 15.282 ( -14.456 0.000 2.182) 14.619 15.348 ( 7.610 0.000 -2.959) 8.165 15.624 ( -11.136 0.000 9.347) 14.539 15.698 ( -11.453 0.000 -4.693) 12.377 20.738 ( 7.440 0.000 -1.108) 7.522 20.866 ( 8.225 0.000 -1.209) 8.314 22.119 ( -1.536 0.000 0.509) 1.618 22.132 ( -4.774 0.000 4.871) 6.821 ======================= Grid point 104 (36/160) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -2.687 0.000 -2.389) 3.595 1.897 ( -3.875 0.000 10.802) 11.476 2.012 ( 6.600 0.000 -0.721) 6.639 2.245 ( 5.391 0.000 -5.174) 7.472 2.311 ( -1.782 0.000 0.552) 1.865 2.548 ( -8.032 0.000 -5.072) 9.499 2.649 ( 1.044 0.000 5.910) 6.001 2.774 ( 2.484 0.000 -3.313) 4.141 2.924 ( 5.442 0.000 -1.595) 5.671 3.010 ( -2.583 0.000 -0.636) 2.660 3.261 ( 7.183 0.000 4.761) 8.617 3.296 ( -7.883 0.000 -3.157) 8.491 3.949 ( 3.396 0.000 -2.990) 4.525 4.163 ( 3.280 0.000 -12.302) 12.732 4.223 ( -0.038 0.000 -0.228) 0.231 4.291 ( -12.651 0.000 3.073) 13.019 4.587 ( -0.271 0.000 -0.252) 0.370 4.656 ( -0.225 0.000 -4.742) 4.747 4.969 ( 3.797 0.000 -6.875) 7.854 5.311 ( 20.022 0.000 -5.440) 20.748 5.354 ( 5.886 0.000 1.604) 6.101 5.430 ( -5.279 0.000 -1.054) 5.384 5.480 ( -21.238 0.000 -6.853) 22.317 5.701 ( -3.103 0.000 0.937) 3.241 5.867 ( -6.664 0.000 0.507) 6.683 5.999 ( 4.452 0.000 -2.798) 5.258 6.069 ( 2.158 0.000 -4.666) 5.141 6.175 ( 1.152 0.000 1.456) 1.857 6.678 ( 11.448 0.000 15.682) 19.416 6.811 ( -3.780 0.000 11.145) 11.769 7.551 ( -9.523 0.000 -6.647) 11.613 7.813 ( 6.858 0.000 -7.660) 10.282 7.909 ( 2.593 0.000 5.993) 6.530 8.009 ( 0.482 0.000 -0.333) 0.586 8.889 ( 0.044 0.000 2.251) 2.251 9.153 ( 5.282 0.000 -4.025) 6.641 9.509 ( 1.593 0.000 5.299) 5.533 9.636 ( -11.200 0.000 -5.604) 12.524 9.875 ( -3.575 0.000 -4.300) 5.592 10.195 ( -1.174 0.000 -1.970) 2.293 10.314 ( -2.875 0.000 5.612) 6.306 10.443 ( 9.350 0.000 5.815) 11.011 11.162 ( -6.087 0.000 -1.505) 6.271 11.448 ( 4.496 0.000 -2.764) 5.277 12.665 ( -3.990 0.000 -0.340) 4.005 12.706 ( 3.362 0.000 1.197) 3.568 12.770 ( -4.054 0.000 3.742) 5.517 12.876 ( 2.878 0.000 1.300) 3.158 14.934 ( -13.430 0.000 -4.627) 14.205 14.999 ( 7.841 0.000 1.219) 7.935 15.014 ( -7.339 0.000 2.846) 7.872 15.115 ( 16.517 0.000 1.837) 16.619 15.131 ( 7.634 0.000 -11.227) 13.577 15.415 ( -8.354 0.000 -6.209) 10.409 15.499 ( -14.043 0.000 5.543) 15.097 15.596 ( 12.537 0.000 1.484) 12.624 20.792 ( 0.405 0.000 -1.251) 1.315 20.909 ( -0.426 0.000 -3.507) 3.533 22.136 ( -2.428 0.000 6.280) 6.733 22.167 ( 2.646 0.000 5.670) 6.257 ======================= Grid point 105 (37/160) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -8.938 0.000 -14.509) 17.041 1.969 ( -2.801 0.000 10.779) 11.137 2.127 ( -10.749 0.000 -8.244) 13.547 2.139 ( 6.434 0.000 2.975) 7.088 2.297 ( 3.171 0.000 -0.605) 3.228 2.588 ( 15.525 0.000 -0.476) 15.533 2.722 ( -1.136 0.000 5.008) 5.135 2.818 ( 8.249 0.000 9.008) 12.214 2.981 ( -1.338 0.000 0.087) 1.341 3.032 ( 8.009 0.000 -9.611) 12.510 3.187 ( -0.032 0.000 -1.998) 1.998 3.354 ( 4.818 0.000 -9.414) 10.575 3.800 ( -12.909 0.000 -7.580) 14.970 4.083 ( 1.412 0.000 -4.984) 5.180 4.198 ( -5.627 0.000 3.695) 6.732 4.213 ( -0.308 0.000 -0.740) 0.801 4.539 ( 0.536 0.000 -3.409) 3.451 4.616 ( -1.502 0.000 0.165) 1.511 4.731 ( -27.782 0.000 -10.070) 29.551 5.188 ( 4.352 0.000 6.537) 7.853 5.198 ( -10.407 0.000 -0.220) 10.409 5.477 ( -14.242 0.000 -2.881) 14.531 5.484 ( 0.407 0.000 1.489) 1.544 5.616 ( 5.393 0.000 -5.609) 7.781 5.844 ( 1.015 0.000 2.931) 3.102 5.987 ( 2.301 0.000 -4.739) 5.268 6.145 ( 11.813 0.000 -3.584) 12.345 6.281 ( 8.375 0.000 0.264) 8.379 6.879 ( -3.412 0.000 9.141) 9.757 7.087 ( 10.016 0.000 17.161) 19.870 7.263 ( -13.032 0.000 -8.363) 15.484 7.832 ( 5.466 0.000 -9.387) 10.863 7.992 ( 1.892 0.000 2.522) 3.153 8.026 ( 1.994 0.000 1.350) 2.408 8.899 ( -1.858 0.000 -1.522) 2.402 9.222 ( 7.060 0.000 -3.149) 7.731 9.316 ( -16.538 0.000 -4.629) 17.174 9.588 ( -3.505 0.000 7.594) 8.364 9.691 ( -8.424 0.000 0.150) 8.425 10.126 ( -3.658 0.000 2.821) 4.620 10.393 ( 4.312 0.000 0.091) 4.312 10.682 ( 10.883 0.000 1.121) 10.941 11.074 ( -0.495 0.000 -2.197) 2.253 11.525 ( 7.070 0.000 -1.077) 7.152 12.555 ( -7.812 0.000 -0.484) 7.826 12.685 ( -9.285 0.000 1.669) 9.434 12.766 ( 0.863 0.000 2.380) 2.531 12.915 ( -1.544 0.000 2.726) 3.132 14.592 ( -18.820 0.000 -4.259) 19.296 14.718 ( -18.470 0.000 3.015) 18.714 15.014 ( -4.793 0.000 -9.723) 10.840 15.165 ( -11.064 0.000 -5.482) 12.348 15.300 ( -10.963 0.000 0.942) 11.003 15.377 ( 17.661 0.000 2.140) 17.790 15.408 ( 14.356 0.000 0.964) 14.389 15.856 ( 13.288 0.000 2.083) 13.451 20.735 ( -5.586 0.000 0.060) 5.587 20.767 ( -9.977 0.000 -4.442) 10.921 22.191 ( 0.410 0.000 5.131) 5.147 22.319 ( 5.025 0.000 7.149) 8.738 ======================= Grid point 106 (38/160) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -18.667 0.000 -22.392) 29.152 1.717 ( -20.434 0.000 -10.758) 23.093 2.114 ( 2.888 0.000 11.892) 12.237 2.290 ( 5.510 0.000 3.676) 6.624 2.488 ( 15.846 0.000 0.716) 15.862 2.770 ( -14.697 0.000 4.669) 15.421 2.870 ( 13.098 0.000 -0.996) 13.136 2.954 ( 3.328 0.000 -7.890) 8.564 2.959 ( 1.186 0.000 1.424) 1.854 3.114 ( 6.077 0.000 -4.463) 7.539 3.141 ( 0.675 0.000 8.768) 8.794 3.222 ( 3.786 0.000 -19.368) 19.734 3.552 ( -3.692 0.000 -1.424) 3.957 3.964 ( -18.069 0.000 -10.528) 20.913 4.110 ( -0.727 0.000 5.042) 5.094 4.202 ( 0.489 0.000 -0.423) 0.647 4.207 ( -14.069 0.000 -0.083) 14.069 4.580 ( -5.668 0.000 3.191) 6.505 4.663 ( 10.607 0.000 -0.557) 10.621 5.032 ( -7.218 0.000 -3.014) 7.822 5.146 ( -15.905 0.000 -5.044) 16.686 5.307 ( -4.640 0.000 2.992) 5.521 5.532 ( 5.190 0.000 7.720) 9.302 5.573 ( -2.285 0.000 -2.329) 3.263 5.861 ( -5.414 0.000 4.028) 6.748 6.030 ( 7.698 0.000 -1.929) 7.936 6.242 ( -1.392 0.000 -4.390) 4.605 6.425 ( 8.375 0.000 -1.187) 8.458 6.857 ( -4.390 0.000 -7.116) 8.361 7.013 ( -5.081 0.000 3.042) 5.922 7.369 ( 1.372 0.000 11.934) 12.012 7.745 ( -1.275 0.000 -10.566) 10.643 8.055 ( 3.242 0.000 0.968) 3.384 8.124 ( 7.131 0.000 1.035) 7.206 8.701 ( -17.493 0.000 -4.482) 18.058 9.041 ( -8.631 0.000 -1.267) 8.724 9.292 ( 6.366 0.000 -5.514) 8.422 9.487 ( -9.812 0.000 6.556) 11.801 9.763 ( 1.046 0.000 12.543) 12.586 10.242 ( 7.526 0.000 10.651) 13.042 10.407 ( 2.158 0.000 -7.399) 7.707 10.769 ( 6.294 0.000 -10.252) 12.030 11.141 ( 6.621 0.000 3.756) 7.612 11.655 ( 8.215 0.000 0.039) 8.215 12.403 ( -10.075 0.000 1.194) 10.146 12.515 ( -12.075 0.000 2.144) 12.264 12.774 ( -3.992 0.000 1.988) 4.460 12.893 ( -3.334 0.000 2.120) 3.951 14.222 ( -18.034 0.000 -3.403) 18.353 14.449 ( -16.808 0.000 2.440) 16.984 14.759 ( -11.955 0.000 -6.711) 13.710 14.896 ( -11.475 0.000 -7.080) 13.484 15.126 ( -8.710 0.000 0.309) 8.716 15.633 ( 10.391 0.000 0.925) 10.432 15.697 ( 15.437 0.000 1.816) 15.543 16.079 ( 9.820 0.000 1.564) 9.944 20.493 ( -15.111 0.000 -3.809) 15.583 20.623 ( -8.107 0.000 1.451) 8.236 22.252 ( 1.006 0.000 2.409) 2.610 22.480 ( 4.449 0.000 5.209) 6.850 ======================= Grid point 107 (39/160) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -20.520 0.000 -5.251) 21.181 1.180 ( -28.467 0.000 -7.921) 29.549 2.059 ( -48.777 0.000 -0.847) 48.784 2.313 ( 4.344 0.000 7.513) 8.678 2.460 ( -0.237 0.000 2.630) 2.641 2.776 ( 18.922 0.000 -6.408) 19.978 2.818 ( -5.301 0.000 -3.432) 6.315 2.991 ( 2.464 0.000 -10.918) 11.193 3.113 ( 3.086 0.000 9.130) 9.638 3.133 ( 11.599 0.000 -5.259) 12.736 3.263 ( 12.477 0.000 6.898) 14.257 3.276 ( 1.600 0.000 -2.038) 2.591 3.523 ( -2.928 0.000 -12.524) 12.862 3.634 ( -5.364 0.000 5.122) 7.417 4.084 ( -5.615 0.000 1.176) 5.737 4.131 ( 1.424 0.000 -0.149) 1.431 4.252 ( 2.907 0.000 1.506) 3.274 4.500 ( -5.371 0.000 -0.333) 5.382 4.770 ( 5.613 0.000 -7.929) 9.715 4.815 ( -11.888 0.000 -1.564) 11.991 4.924 ( -6.853 0.000 -1.295) 6.974 5.322 ( -0.191 0.000 14.318) 14.319 5.504 ( -4.382 0.000 -2.378) 4.985 5.725 ( 4.981 0.000 6.879) 8.493 5.738 ( -14.306 0.000 3.589) 14.750 6.001 ( -14.226 0.000 -3.011) 14.541 6.200 ( 12.094 0.000 0.454) 12.102 6.532 ( 6.044 0.000 -1.136) 6.149 6.639 ( -7.161 0.000 -9.220) 11.674 7.082 ( 3.012 0.000 3.739) 4.801 7.389 ( -4.771 0.000 -4.563) 6.602 7.564 ( -8.780 0.000 -3.261) 9.366 8.120 ( 1.881 0.000 1.344) 2.312 8.270 ( 9.308 0.000 -1.330) 9.402 8.333 ( -17.144 0.000 -0.966) 17.171 8.960 ( -1.663 0.000 0.293) 1.688 9.308 ( 4.421 0.000 -5.963) 7.424 9.467 ( -7.145 0.000 12.606) 14.490 9.958 ( 2.131 0.000 13.565) 13.731 10.307 ( 1.339 0.000 -12.324) 12.397 10.560 ( 11.032 0.000 12.309) 16.529 10.729 ( 5.686 0.000 -11.959) 13.242 11.327 ( 9.909 0.000 2.324) 10.178 11.786 ( 6.874 0.000 -0.521) 6.893 12.235 ( -9.994 0.000 -0.147) 9.995 12.384 ( -9.531 0.000 9.103) 13.180 12.661 ( -10.765 0.000 1.559) 10.877 12.881 ( -0.031 0.000 0.207) 0.209 13.920 ( -13.680 0.000 -0.182) 13.681 14.195 ( -14.498 0.000 0.446) 14.505 14.491 ( -12.771 0.000 -0.894) 12.802 14.602 ( -10.621 0.000 -10.656) 15.046 15.017 ( -4.080 0.000 -0.428) 4.102 15.783 ( 6.153 0.000 0.250) 6.158 15.935 ( 9.843 0.000 1.459) 9.951 16.224 ( 6.031 0.000 -0.104) 6.031 20.198 ( -14.462 0.000 -1.454) 14.535 20.506 ( -7.297 0.000 1.631) 7.477 22.279 ( 0.575 0.000 -0.054) 0.578 22.582 ( 2.661 0.000 1.481) 3.046 ======================= Grid point 108 (40/160) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -13.365 0.000 34.029) 36.559 0.626 ( -30.605 0.000 8.310) 31.713 1.202 ( -55.847 0.000 25.362) 61.336 2.365 ( -2.145 0.000 -2.683) 3.435 2.440 ( -2.642 0.000 2.953) 3.962 2.710 ( -2.563 0.000 -2.705) 3.727 2.998 ( 15.461 0.000 -1.665) 15.551 3.009 ( 8.201 0.000 6.029) 10.179 3.170 ( -1.149 0.000 -9.793) 9.860 3.283 ( 2.619 0.000 4.709) 5.389 3.329 ( -3.061 0.000 -0.598) 3.119 3.349 ( 13.048 0.000 -0.701) 13.067 3.541 ( 2.868 0.000 14.185) 14.472 3.668 ( -0.408 0.000 4.019) 4.039 4.026 ( 0.717 0.000 -0.958) 1.196 4.139 ( 2.614 0.000 -5.746) 6.312 4.287 ( 3.033 0.000 -6.255) 6.951 4.399 ( -2.867 0.000 -1.419) 3.199 4.686 ( -9.222 0.000 6.917) 11.528 4.777 ( -1.153 0.000 4.290) 4.442 4.822 ( -1.848 0.000 -0.987) 2.095 5.214 ( -19.672 0.000 -6.532) 20.728 5.469 ( 4.096 0.000 -4.513) 6.095 5.617 ( -4.533 0.000 4.589) 6.450 5.817 ( -7.763 0.000 2.684) 8.214 5.956 ( 6.929 0.000 13.485) 15.161 6.369 ( 8.519 0.000 -4.524) 9.645 6.467 ( -2.411 0.000 -2.080) 3.184 6.607 ( -0.871 0.000 -0.938) 1.280 7.133 ( -1.377 0.000 2.476) 2.833 7.134 ( -6.532 0.000 -12.571) 14.167 7.461 ( -1.253 0.000 7.611) 7.713 8.077 ( -8.809 0.000 5.238) 10.249 8.212 ( 2.287 0.000 -2.081) 3.093 8.372 ( 7.060 0.000 -6.925) 9.890 8.966 ( -0.377 0.000 2.907) 2.931 9.326 ( 2.374 0.000 0.005) 2.374 9.503 ( -4.444 0.000 8.484) 9.577 9.995 ( -2.240 0.000 -10.408) 10.646 10.339 ( 7.291 0.000 10.902) 13.115 10.677 ( 3.942 0.000 -11.689) 12.336 10.854 ( 6.468 0.000 10.518) 12.348 11.518 ( 9.994 0.000 -0.364) 10.001 11.878 ( 4.334 0.000 0.930) 4.433 12.082 ( -6.246 0.000 -1.716) 6.477 12.273 ( -15.101 0.000 -16.598) 22.440 12.479 ( -10.883 0.000 0.655) 10.903 12.879 ( 0.788 0.000 -2.372) 2.499 13.836 ( -1.296 0.000 12.979) 13.044 13.989 ( -8.933 0.000 0.413) 8.943 14.305 ( -7.672 0.000 -1.341) 7.788 14.333 ( -8.271 0.000 5.668) 10.027 14.958 ( -1.094 0.000 -2.879) 3.080 15.847 ( 2.358 0.000 -1.795) 2.964 16.068 ( 4.175 0.000 0.912) 4.273 16.288 ( 3.103 0.000 -1.968) 3.675 19.996 ( -8.587 0.000 2.014) 8.820 20.414 ( -4.693 0.000 -1.212) 4.847 22.278 ( 0.488 0.000 -1.287) 1.376 22.606 ( 1.033 0.000 -2.654) 2.848 ======================= Grid point 109 (41/160) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -5.360 26.072 13.003) 29.623 1.013 ( -4.821 20.903 23.384) 31.733 1.784 ( 3.181 40.147 41.871) 58.095 2.268 ( -4.019 3.184 -13.625) 14.558 2.557 ( -0.008 3.962 -3.502) 5.287 2.659 ( 2.450 -0.376 -4.415) 5.063 2.862 ( -5.203 -13.327 -2.458) 14.516 3.024 ( 0.677 2.936 -13.914) 14.237 3.162 ( 8.311 -10.958 8.299) 16.063 3.253 ( 5.555 -3.586 0.184) 6.615 3.564 ( -0.152 -5.559 10.794) 12.142 3.615 ( -3.536 10.219 6.627) 12.683 3.621 ( 3.203 -9.760 12.131) 15.896 3.723 ( -2.957 1.059 10.243) 10.713 3.897 ( 3.072 -8.845 -5.165) 10.693 4.174 ( -0.389 4.125 -1.143) 4.298 4.289 ( 1.684 -8.005 0.515) 8.196 4.393 ( 6.128 7.489 1.308) 9.765 4.769 ( -3.698 5.552 -3.211) 7.403 4.819 ( -1.844 13.149 0.623) 13.293 4.877 ( -16.184 8.679 -2.453) 18.527 5.172 ( 12.004 10.305 3.004) 16.104 5.396 ( 5.889 -6.578 4.365) 9.849 5.481 ( -6.565 -1.694 -2.881) 7.367 5.657 ( -1.933 2.638 3.324) 4.663 5.963 ( -2.593 -0.018 -1.892) 3.209 6.313 ( 2.854 -8.135 3.761) 9.406 6.552 ( -2.996 9.194 -7.417) 12.187 6.638 ( 4.527 8.973 5.642) 11.525 7.175 ( -5.624 8.980 1.222) 10.666 7.287 ( 0.189 9.691 -0.704) 9.719 7.436 ( 6.732 -2.128 4.829) 8.554 8.104 ( -0.514 -7.356 -5.216) 9.032 8.257 ( 2.711 -8.815 -3.659) 9.922 8.566 ( -2.579 18.174 -11.444) 21.631 9.124 ( -3.504 10.715 -4.946) 12.311 9.371 ( 1.136 -3.077 3.915) 5.108 9.484 ( 2.128 3.927 -10.629) 11.529 9.802 ( -0.135 -4.882 -7.582) 9.019 10.522 ( -7.189 -3.907 -1.165) 8.264 10.567 ( 1.211 -2.084 4.142) 4.792 11.008 ( 2.553 -1.672 9.103) 9.601 11.520 ( -0.085 1.210 16.372) 16.417 11.613 ( -4.824 -0.122 -3.834) 6.164 11.943 ( -5.522 -3.788 -0.172) 6.699 11.972 ( 6.568 -1.588 5.513) 8.721 12.384 ( -0.700 1.933 -1.361) 2.465 12.822 ( -0.024 -1.407 -5.717) 5.887 13.881 ( 1.296 10.712 4.839) 11.826 14.179 ( -4.616 11.729 -4.462) 13.371 14.375 ( -0.230 1.317 13.346) 13.413 14.722 ( 7.938 9.552 -1.818) 12.552 14.876 ( 0.473 -1.153 -4.245) 4.424 15.836 ( 0.224 -0.031 -4.982) 4.987 16.073 ( -0.726 -3.153 0.418) 3.262 16.253 ( 0.382 -3.362 -3.488) 4.859 20.007 ( 1.883 4.869 4.052) 6.608 20.353 ( -3.152 4.531 -3.413) 6.490 22.237 ( 0.351 -3.058 -1.627) 3.482 22.538 ( -0.123 -2.216 -6.263) 6.645 ======================= Grid point 110 (42/160) ======================= q-point: ( 0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 12.837 10.764 15.505) 22.827 1.327 ( 7.478 7.171 25.728) 27.736 2.018 ( -2.690 -0.451 -15.094) 15.338 2.423 ( 10.207 27.369 33.741) 44.629 2.440 ( -1.298 6.155 -11.441) 13.056 2.648 ( -1.651 -0.872 -4.370) 4.752 2.762 ( 1.844 -2.262 -6.274) 6.920 2.981 ( 2.195 -1.343 1.899) 3.198 3.183 ( -5.469 -0.081 -4.535) 7.105 3.347 ( 3.935 -10.578 1.735) 11.419 3.543 ( -5.626 -12.067 -2.796) 13.605 3.563 ( -9.610 -7.601 5.956) 13.623 3.701 ( -4.243 -2.217 12.914) 13.773 3.782 ( -8.146 6.050 13.220) 16.665 3.986 ( -4.033 2.681 0.159) 4.846 4.110 ( 1.475 4.112 -1.004) 4.482 4.317 ( -0.928 -1.859 1.206) 2.402 4.507 ( 6.674 5.520 2.508) 9.017 4.623 ( 3.580 11.825 -2.670) 12.641 4.749 ( 1.227 0.762 -1.001) 1.757 4.959 ( 5.549 6.614 -1.054) 8.698 5.287 ( -7.443 1.228 2.633) 7.990 5.447 ( 9.044 -3.789 1.027) 9.859 5.625 ( 11.438 3.240 2.758) 12.204 5.709 ( 3.697 0.868 2.834) 4.738 5.909 ( 1.048 -0.571 -0.854) 1.468 6.284 ( -2.806 -0.655 -1.695) 3.343 6.508 ( 7.023 7.881 -8.871) 13.789 6.798 ( 2.338 4.460 7.175) 8.766 7.099 ( -2.055 11.938 -3.427) 12.589 7.231 ( -5.267 5.220 0.532) 7.434 7.630 ( 10.364 3.112 0.849) 10.854 8.043 ( -0.344 -6.007 -2.961) 6.706 8.205 ( -3.563 -5.206 -2.791) 6.899 8.441 ( 2.526 12.424 1.654) 12.786 9.054 ( -2.364 4.333 -0.492) 4.961 9.378 ( 3.827 3.132 -14.739) 15.546 9.416 ( -1.310 -0.800 3.533) 3.851 9.735 ( -4.938 0.360 3.610) 6.127 10.280 ( -7.500 -1.068 -14.510) 16.369 10.644 ( -4.205 -4.791 11.985) 13.575 11.147 ( 0.252 -2.908 10.397) 10.799 11.390 ( -13.105 -1.282 -6.293) 14.594 11.707 ( -3.376 0.700 1.831) 3.904 11.969 ( 12.701 -4.267 3.572) 13.866 12.183 ( 7.044 -0.159 9.292) 11.662 12.443 ( 8.973 1.117 -2.824) 9.473 12.749 ( 1.681 -0.114 -8.417) 8.584 13.989 ( 3.649 11.581 4.119) 12.822 14.108 ( 2.815 9.628 -2.704) 10.390 14.611 ( 5.113 2.200 15.099) 16.092 14.780 ( 2.952 6.249 2.189) 7.249 14.870 ( 5.138 -0.216 -2.819) 5.865 15.733 ( -2.354 -0.921 -8.631) 8.994 16.027 ( -5.028 -2.651 -0.169) 5.687 16.183 ( -3.188 -4.478 -3.984) 6.789 20.164 ( 7.987 3.989 6.409) 10.990 20.346 ( 6.116 3.067 -3.478) 7.675 22.216 ( -0.688 -3.646 -1.545) 4.019 22.442 ( -0.841 -1.952 -8.056) 8.331 ======================= Grid point 111 (43/160) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 10.231 3.912 14.919) 18.508 1.812 ( 12.156 -0.785 14.044) 18.591 1.868 ( 3.569 -1.587 -2.562) 4.671 2.262 ( -1.491 8.127 -12.971) 15.380 2.447 ( -10.244 -0.465 -9.481) 13.966 2.593 ( -1.252 7.919 -1.882) 8.235 2.895 ( 3.992 -3.599 1.569) 5.599 2.974 ( -2.937 -2.623 0.522) 3.972 3.231 ( -9.587 -4.871 0.689) 10.776 3.267 ( -13.728 -3.964 0.131) 14.289 3.386 ( -9.736 -3.738 0.802) 10.460 3.511 ( 6.277 7.167 15.099) 17.853 3.736 ( -5.231 1.913 -1.574) 5.788 3.802 ( 3.416 -5.281 4.767) 7.892 3.969 ( 8.969 -5.604 5.494) 11.917 4.205 ( 5.425 4.589 0.275) 7.111 4.364 ( 1.977 7.276 7.941) 10.950 4.624 ( -2.912 -0.142 -6.162) 6.817 4.681 ( 4.980 10.184 6.648) 13.142 4.846 ( 7.325 -3.322 2.024) 8.294 4.985 ( 7.666 8.056 -1.572) 11.231 5.317 ( 1.088 -3.685 3.242) 5.027 5.440 ( -3.249 1.518 -7.558) 8.366 5.752 ( 1.150 -0.637 2.621) 2.932 5.777 ( 1.931 2.051 6.270) 6.874 6.073 ( 8.296 -3.782 -0.398) 9.126 6.304 ( 0.959 0.484 5.851) 5.949 6.493 ( 4.188 9.227 -10.958) 14.925 6.818 ( 0.413 -0.128 -5.379) 5.396 7.056 ( -2.597 10.510 0.214) 10.828 7.177 ( -0.315 7.439 4.096) 8.498 7.778 ( 9.764 5.080 -5.224) 12.183 7.998 ( -2.628 -5.034 -1.683) 5.922 8.094 ( -4.993 -3.304 -2.854) 6.633 8.722 ( 16.855 1.939 14.178) 22.110 9.038 ( 2.388 1.343 -1.789) 3.272 9.293 ( 4.481 4.249 -10.871) 12.502 9.410 ( -1.656 3.138 0.023) 3.548 9.697 ( -6.855 1.921 6.186) 9.431 9.994 ( -4.780 1.587 -10.470) 11.618 10.687 ( -5.935 -3.905 8.447) 11.037 11.050 ( -13.671 -2.340 -10.129) 17.175 11.267 ( -3.405 -2.730 12.781) 13.505 11.580 ( -5.509 -3.483 -5.002) 8.216 12.277 ( 12.668 -1.582 6.464) 14.310 12.413 ( 6.576 -0.466 8.274) 10.579 12.574 ( 9.715 0.680 -3.517) 10.354 12.692 ( 4.444 1.707 -8.978) 10.162 14.080 ( 5.832 2.226 0.342) 6.252 14.238 ( 10.825 8.574 1.837) 13.931 14.778 ( 6.417 1.956 0.006) 6.708 14.911 ( 9.395 6.526 -0.811) 11.468 15.081 ( 7.880 -1.014 15.668) 17.568 15.566 ( -4.345 -3.236 -8.971) 10.480 15.896 ( -9.138 -2.273 -1.109) 9.481 16.049 ( -6.850 -6.204 -3.884) 10.025 20.376 ( 9.197 -0.597 1.441) 9.328 20.474 ( 10.509 3.262 1.780) 11.147 22.173 ( -2.296 -4.159 -1.394) 4.951 22.327 ( -1.681 -0.656 -6.960) 7.190 ======================= Grid point 112 (44/160) ======================= q-point: ( 0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.081 0.844 5.199) 5.268 1.925 ( 7.615 0.881 9.046) 11.858 2.061 ( 1.003 2.110 -10.785) 11.035 2.148 ( 0.458 7.879 -6.531) 10.244 2.352 ( 10.089 -3.820 8.327) 13.627 2.574 ( -4.820 5.176 2.669) 7.560 2.706 ( -8.413 -1.489 -6.637) 10.819 2.896 ( -10.279 -7.816 -7.681) 15.025 2.984 ( -16.470 0.534 3.137) 16.774 3.044 ( -0.498 -5.596 -2.769) 6.264 3.334 ( -4.726 -3.303 9.127) 10.796 3.488 ( -8.298 6.094 -6.675) 12.270 3.950 ( 9.017 -0.718 9.260) 12.945 4.014 ( 12.756 -7.165 4.822) 15.405 4.128 ( 3.539 -8.382 -2.445) 9.421 4.266 ( 3.713 4.664 -3.005) 6.676 4.480 ( -2.620 -3.550 -2.895) 5.277 4.583 ( 7.203 1.690 6.297) 9.716 4.854 ( 6.191 6.535 6.554) 11.135 4.942 ( 8.879 8.505 -5.681) 13.544 5.178 ( 4.414 1.965 3.505) 5.969 5.283 ( 3.429 -8.696 -5.782) 10.991 5.386 ( 3.576 3.742 3.112) 6.039 5.775 ( -2.385 -0.150 2.318) 3.329 5.874 ( 0.237 -0.184 4.761) 4.771 6.168 ( 3.148 2.900 3.035) 5.248 6.279 ( -6.894 -5.764 -0.296) 8.991 6.345 ( -6.947 2.477 -9.173) 11.771 6.751 ( 1.003 7.868 -10.636) 13.268 6.955 ( -7.858 8.747 2.516) 12.024 7.398 ( 10.153 4.983 11.772) 16.324 7.834 ( 5.315 2.949 -8.405) 10.373 7.917 ( -0.997 -1.428 -5.293) 5.572 7.999 ( -2.469 -3.030 -0.212) 3.915 9.026 ( -3.130 4.101 -1.627) 5.409 9.195 ( 14.294 -1.443 5.106) 15.247 9.302 ( 8.844 -0.652 -1.212) 8.951 9.388 ( 2.157 6.370 0.942) 6.791 9.707 ( 3.240 0.862 5.192) 6.180 9.943 ( 4.291 4.800 1.306) 6.570 10.615 ( -11.494 -2.863 3.579) 12.374 10.689 ( -13.682 -2.579 -10.173) 17.244 11.321 ( -6.469 -2.306 9.551) 11.764 11.451 ( -1.279 -4.145 -5.751) 7.204 12.516 ( 6.940 -3.216 2.958) 8.201 12.573 ( 4.279 -0.987 3.632) 5.698 12.670 ( 5.470 3.045 -0.950) 6.333 12.727 ( 8.419 1.436 -3.855) 9.370 14.230 ( 11.013 -5.755 0.462) 12.434 14.480 ( 14.524 2.286 1.931) 14.829 14.911 ( 10.627 1.945 -2.115) 11.009 15.072 ( 10.505 3.274 -3.634) 11.588 15.312 ( -3.093 -3.024 6.159) 7.527 15.424 ( 0.095 -1.033 -0.369) 1.101 15.700 ( -13.145 -3.566 0.874) 13.649 15.869 ( -7.858 -5.409 -3.662) 10.219 20.526 ( 9.157 -4.433 -1.713) 10.316 20.689 ( 9.075 -0.165 3.056) 9.577 22.115 ( -2.383 -2.991 -0.519) 3.859 22.229 ( -2.921 1.058 -2.478) 3.974 ======================= Grid point 113 (45/160) ======================= q-point: ( 0.40 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -5.272 -0.356 2.961) 6.057 1.943 ( -8.897 2.152 -0.592) 9.173 2.053 ( 5.599 7.805 -0.788) 9.638 2.143 ( 8.288 2.726 -4.705) 9.912 2.521 ( 6.619 -2.829 -0.632) 7.225 2.554 ( -13.537 1.219 -2.663) 13.850 2.611 ( 7.114 0.115 2.489) 7.538 2.726 ( -10.666 2.903 2.390) 11.309 2.846 ( 3.772 -8.635 4.620) 10.494 3.020 ( -0.350 -3.593 -0.920) 3.726 3.261 ( -4.887 5.421 -6.307) 9.646 3.381 ( -6.899 -2.385 8.834) 11.459 3.965 ( -2.513 -0.976 -6.319) 6.870 4.154 ( 5.047 -8.130 -8.077) 12.522 4.223 ( 4.537 2.278 0.112) 5.078 4.345 ( 4.960 1.355 4.189) 6.632 4.474 ( 1.831 -9.276 1.666) 9.601 4.678 ( 1.932 -3.646 -1.958) 4.568 4.906 ( 4.566 -5.207 -5.700) 8.970 5.054 ( -1.916 -1.011 -7.699) 7.998 5.129 ( 13.091 -0.476 -1.123) 13.147 5.486 ( 4.860 -3.885 0.272) 6.227 5.580 ( 7.977 0.368 6.997) 10.617 5.729 ( -5.913 4.397 2.225) 7.698 5.877 ( -1.475 -2.705 3.614) 4.749 6.069 ( -9.224 -1.767 -11.143) 14.573 6.177 ( -3.403 0.331 -0.357) 3.438 6.273 ( 2.240 7.633 4.984) 9.387 6.609 ( -3.122 8.987 -3.872) 10.272 6.901 ( -4.612 10.520 6.279) 13.091 7.617 ( -0.632 -3.769 4.831) 6.160 7.793 ( 0.834 0.390 -3.519) 3.638 7.875 ( 5.316 3.464 -5.418) 8.344 8.007 ( 2.708 0.445 -1.212) 3.000 8.932 ( -3.300 3.181 -0.478) 4.608 9.257 ( 0.610 8.538 -4.212) 9.541 9.410 ( 7.986 -0.121 -1.433) 8.115 9.669 ( 9.854 -0.157 8.606) 13.084 9.877 ( 5.526 3.541 5.487) 8.555 10.111 ( 8.768 -0.320 2.831) 9.219 10.354 ( -8.215 -3.697 -7.574) 11.769 10.419 ( -15.169 -1.697 2.147) 15.414 11.268 ( -8.326 -1.765 3.614) 9.246 11.404 ( 2.264 -2.989 -4.121) 5.572 12.586 ( 3.636 -4.234 -1.745) 5.848 12.678 ( 0.390 -0.673 3.463) 3.549 12.757 ( 4.147 1.951 1.252) 4.751 12.831 ( 4.891 2.292 0.907) 5.477 14.457 ( 13.989 -12.384 0.947) 18.706 14.775 ( 17.487 -5.255 0.962) 18.285 15.003 ( -8.816 -9.242 -1.662) 12.880 15.082 ( 9.613 1.521 -6.423) 11.661 15.377 ( 6.030 1.917 -3.171) 7.078 15.380 ( -4.574 6.009 -0.536) 7.571 15.486 ( -12.316 -9.786 2.340) 15.904 15.740 ( -6.438 1.954 2.259) 7.097 20.644 ( 6.499 -7.858 -1.733) 10.344 20.824 ( 4.382 -4.824 -0.390) 6.529 22.104 ( 0.010 0.107 2.766) 2.768 22.173 ( -3.590 2.133 2.587) 4.912 ======================= Grid point 114 (46/160) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -4.072 -0.110 -1.224) 4.254 1.842 ( -0.089 -0.235 1.803) 1.821 2.169 ( 3.742 10.399 5.315) 12.263 2.259 ( 7.948 0.354 -5.335) 9.579 2.339 ( -6.636 2.636 0.096) 7.141 2.527 ( -4.680 -1.357 -5.201) 7.127 2.639 ( 3.126 -1.575 5.256) 6.315 2.757 ( 3.655 -1.744 -1.691) 4.389 2.889 ( -1.672 -1.393 1.837) 2.848 3.009 ( -0.734 -1.979 -1.007) 2.338 3.271 ( -2.247 -0.433 -0.245) 2.302 3.279 ( 1.691 0.490 1.087) 2.069 3.903 ( 1.900 -3.409 -7.995) 8.897 4.092 ( 2.160 -4.417 -6.313) 8.002 4.234 ( 0.538 0.178 -5.282) 5.312 4.400 ( -8.425 5.187 0.806) 9.926 4.460 ( 0.604 -8.573 0.023) 8.594 4.617 ( -3.301 -1.873 -2.210) 4.392 4.989 ( 7.662 -12.591 -2.774) 14.997 5.088 ( 9.538 -2.660 2.784) 10.286 5.225 ( -10.972 -17.262 -2.078) 20.559 5.469 ( 9.262 6.113 -8.940) 14.250 5.559 ( -4.861 6.753 -6.500) 10.559 5.676 ( -7.007 -1.652 3.714) 8.100 5.797 ( -4.574 -4.211 1.114) 6.316 6.016 ( 1.620 -1.745 -2.976) 3.811 6.100 ( 2.150 6.734 -4.167) 8.206 6.308 ( -1.521 7.977 1.107) 8.196 6.733 ( 9.338 4.869 11.836) 15.843 6.943 ( -1.565 10.777 9.975) 14.768 7.534 ( -6.313 -1.424 -4.608) 7.945 7.781 ( 3.218 -2.739 -4.087) 5.879 7.937 ( 2.690 3.336 0.303) 4.296 8.028 ( 1.699 0.637 -2.107) 2.781 8.935 ( 1.871 4.055 2.565) 5.150 9.217 ( 1.156 4.458 -4.757) 6.621 9.511 ( 2.612 0.752 1.637) 3.173 9.686 ( -10.841 3.793 -1.640) 11.601 9.938 ( -3.635 6.484 -3.250) 8.113 10.191 ( -0.455 0.106 0.287) 0.548 10.269 ( -2.513 -3.697 4.898) 6.631 10.387 ( 9.446 -5.009 5.900) 12.212 11.151 ( -5.873 -1.093 -1.406) 6.137 11.419 ( 4.287 -2.700 -2.782) 5.780 12.626 ( 1.299 -4.982 0.565) 5.179 12.656 ( -4.375 -0.953 -0.400) 4.496 12.822 ( -0.653 2.453 3.613) 4.416 12.907 ( 1.889 2.507 2.261) 3.868 14.652 ( -3.589 -17.155 1.223) 17.569 14.835 ( 5.285 -12.002 -1.624) 13.214 15.043 ( -8.266 -4.548 -0.428) 9.444 15.097 ( 8.108 -5.957 -5.129) 11.293 15.195 ( 6.003 2.131 -4.248) 7.657 15.309 ( -7.440 -3.692 -3.822) 9.143 15.543 ( -1.055 5.471 2.721) 6.201 15.683 ( 2.177 5.339 2.287) 6.203 20.696 ( 1.480 -8.656 -1.111) 8.852 20.826 ( -1.528 -7.734 -3.304) 8.548 22.159 ( -2.568 1.951 6.141) 6.937 22.195 ( 2.808 2.259 5.574) 6.638 ======================= Grid point 115 (47/160) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -8.626 0.711 -13.347) 15.908 1.900 ( 0.652 -2.701 7.299) 7.810 2.135 ( -9.295 0.859 -7.050) 11.698 2.293 ( 2.227 9.521 4.026) 10.575 2.319 ( 2.844 1.441 -0.228) 3.196 2.600 ( 15.420 0.526 -0.862) 15.453 2.713 ( -1.462 -0.791 4.534) 4.830 2.819 ( 7.803 0.210 9.942) 12.640 2.931 ( 0.872 -3.716 -0.336) 3.832 3.009 ( 6.481 -2.714 -7.917) 10.586 3.155 ( -1.446 -1.236 -2.961) 3.520 3.407 ( 7.725 3.184 -7.895) 11.495 3.737 ( -8.110 -3.635 -7.202) 11.439 4.059 ( -9.799 -12.487 -1.853) 15.981 4.105 ( 2.204 0.021 -10.860) 11.082 4.280 ( -6.622 3.329 3.165) 8.059 4.451 ( 0.172 -3.790 0.501) 3.827 4.567 ( -7.970 0.159 0.490) 7.986 4.829 ( -15.054 1.864 -6.550) 16.523 5.116 ( 3.468 -13.676 -0.645) 14.124 5.172 ( -0.554 1.082 1.815) 2.184 5.410 ( -3.038 0.819 -0.156) 3.150 5.502 ( -8.537 2.068 1.231) 8.869 5.687 ( 6.968 2.241 -3.709) 8.205 5.787 ( -1.410 -1.559 1.065) 2.356 5.959 ( 6.246 -3.353 -3.954) 8.117 6.184 ( 3.795 3.284 -1.496) 5.237 6.323 ( 6.743 3.707 -1.007) 7.760 6.956 ( 0.539 5.359 8.354) 9.940 7.129 ( 4.086 4.407 12.447) 13.822 7.309 ( -9.762 3.499 -7.555) 12.830 7.802 ( 5.537 -3.228 -6.093) 8.843 7.963 ( 0.701 0.899 -0.050) 1.141 8.018 ( 0.576 -1.770 -1.740) 2.548 9.010 ( 1.906 8.329 0.442) 8.555 9.158 ( -2.963 -4.419 -4.097) 6.715 9.401 ( -8.687 6.400 -4.581) 11.722 9.625 ( -2.096 1.938 9.068) 9.507 9.746 ( -11.324 6.626 -0.132) 13.121 10.143 ( -4.224 1.622 3.715) 5.854 10.358 ( 5.074 -2.893 -0.479) 5.861 10.650 ( 12.294 -2.862 2.219) 12.816 11.064 ( -0.723 -0.876 -2.142) 2.425 11.487 ( 6.250 -3.578 -1.021) 7.274 12.534 ( -8.231 -1.606 -1.308) 8.488 12.612 ( -4.851 -4.336 0.936) 6.573 12.826 ( -2.914 3.042 3.172) 5.273 12.943 ( -1.823 2.113 3.145) 4.204 14.433 ( -14.488 -10.144 -0.891) 17.709 14.730 ( -18.040 -3.940 -0.293) 18.468 15.026 ( -5.719 0.278 -5.977) 8.277 15.057 ( 5.818 -9.549 -5.584) 12.499 15.174 ( 5.214 -5.961 -2.924) 8.442 15.381 ( -9.258 3.755 2.559) 10.313 15.467 ( 13.461 -2.727 -0.157) 13.735 15.870 ( 10.414 2.923 3.043) 11.236 20.667 ( -5.591 -6.294 -0.656) 8.444 20.708 ( -4.858 -5.854 -3.316) 8.298 22.195 ( -1.318 0.579 5.413) 5.601 22.341 ( 4.328 1.585 6.846) 8.254 ======================= Grid point 116 (48/160) ======================= q-point: (-0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -15.458 6.724 -18.455) 24.995 1.762 ( -17.405 3.391 -9.019) 19.894 2.093 ( 4.821 -1.308 12.031) 13.027 2.397 ( 5.381 6.112 2.526) 8.526 2.457 ( 10.393 -3.627 0.914) 11.046 2.800 ( -3.756 3.156 6.814) 8.397 2.891 ( 10.978 1.892 -1.133) 11.197 2.917 ( 4.062 -3.342 0.544) 5.288 2.971 ( 2.907 1.404 -9.281) 9.826 3.087 ( 0.862 -1.209 0.690) 1.637 3.140 ( 11.670 1.154 2.711) 12.036 3.322 ( -0.996 6.961 -16.639) 18.064 3.528 ( -4.922 -2.000 -2.042) 5.692 3.778 ( -16.909 -13.354 -6.743) 22.577 4.045 ( -4.278 -6.256 1.841) 7.799 4.182 ( -5.971 -3.261 -1.567) 6.982 4.254 ( -4.369 5.966 -1.378) 7.522 4.588 ( 6.019 -2.312 -0.125) 6.449 4.699 ( -5.467 5.591 -2.764) 8.294 5.086 ( 0.185 0.508 3.680) 3.720 5.096 ( -12.841 -2.237 -0.623) 13.049 5.328 ( -8.442 2.383 2.173) 9.037 5.519 ( 6.677 0.045 3.887) 7.726 5.661 ( -1.618 6.146 -3.190) 7.111 5.799 ( -2.777 -4.343 3.406) 6.178 6.058 ( 5.968 0.111 -0.847) 6.028 6.182 ( 1.765 -2.540 -4.896) 5.791 6.482 ( 7.445 2.982 -0.677) 8.049 6.899 ( -11.353 3.374 -9.474) 15.167 7.071 ( -0.318 3.982 4.245) 5.829 7.360 ( 0.201 1.650 9.428) 9.574 7.771 ( 1.388 2.060 -11.149) 11.423 7.985 ( 2.602 -6.030 0.867) 6.624 8.039 ( 2.867 -2.253 -0.045) 3.647 8.845 ( -17.922 5.402 -1.700) 18.795 9.090 ( -0.917 5.527 -0.022) 5.603 9.310 ( 4.704 3.165 -6.218) 8.415 9.586 ( -10.370 8.717 7.213) 15.347 9.746 ( -0.010 -1.298 11.219) 11.294 10.231 ( 5.693 -1.221 8.185) 10.045 10.378 ( 1.872 -2.299 -5.343) 6.111 10.779 ( 7.352 0.905 -9.118) 11.748 11.130 ( 7.127 -1.131 4.140) 8.319 11.603 ( 7.186 -4.892 0.404) 8.703 12.354 ( -11.258 -3.345 -0.452) 11.753 12.481 ( -11.095 -2.126 1.052) 11.346 12.794 ( -5.537 1.413 2.203) 6.124 12.925 ( -3.353 2.006 2.482) 4.629 14.183 ( -12.202 -2.529 -2.211) 12.656 14.454 ( -14.302 -0.294 1.424) 14.376 14.776 ( -11.943 1.957 -6.602) 13.786 14.893 ( -9.031 -0.982 -6.324) 11.068 15.167 ( -9.811 4.998 -0.923) 11.050 15.449 ( 14.884 -11.511 2.065) 18.929 15.736 ( 14.103 -3.935 0.403) 14.647 16.063 ( 7.772 0.287 2.494) 8.167 20.457 ( -12.050 -3.026 -3.874) 13.014 20.644 ( -4.548 0.464 2.301) 5.118 22.232 ( -0.311 -1.403 2.839) 3.182 22.483 ( 3.556 0.047 4.982) 6.122 ======================= Grid point 117 (49/160) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -11.016 19.640 -0.202) 22.519 1.338 ( -21.509 11.469 -3.504) 24.626 2.315 ( -13.135 13.345 3.655) 19.078 2.401 ( -17.507 15.234 3.708) 23.501 2.493 ( 1.206 2.351 -0.117) 2.645 2.644 ( 10.210 -11.176 -1.074) 15.176 2.830 ( -2.388 0.848 -4.825) 5.450 3.024 ( 5.858 0.330 -3.423) 6.793 3.126 ( 3.879 4.203 -8.518) 10.260 3.139 ( 5.216 -4.818 -1.627) 7.284 3.225 ( 13.100 -2.111 4.525) 14.019 3.332 ( 4.883 4.596 0.411) 6.718 3.407 ( -9.168 -5.633 -6.035) 12.337 3.552 ( 2.157 -4.480 3.000) 5.807 4.055 ( 0.982 -6.662 1.607) 6.923 4.142 ( -1.115 2.028 0.837) 2.461 4.235 ( 1.373 -0.035 0.124) 1.379 4.487 ( -6.087 -4.360 -11.667) 13.863 4.675 ( 3.600 2.900 2.263) 5.147 4.877 ( -11.173 3.701 1.976) 11.935 5.152 ( -3.237 11.355 -3.355) 12.275 5.281 ( -1.889 -1.043 15.094) 15.248 5.593 ( -3.918 4.642 0.686) 6.113 5.633 ( -1.752 -4.430 1.444) 4.978 5.772 ( -2.441 0.470 2.316) 3.398 6.023 ( -11.597 2.393 -0.897) 11.875 6.186 ( 5.304 -2.426 -2.317) 6.276 6.480 ( 2.883 -1.310 -5.903) 6.699 6.678 ( -4.025 3.177 -5.402) 7.448 7.167 ( 4.589 6.442 3.415) 8.616 7.389 ( -6.664 1.751 5.239) 8.656 7.591 ( -5.965 4.695 -11.143) 13.483 8.078 ( 7.633 -7.996 -0.603) 11.071 8.100 ( 4.312 -2.333 0.058) 4.903 8.546 ( -12.361 8.209 -0.244) 14.841 9.123 ( 3.189 8.912 2.268) 9.733 9.332 ( 6.491 4.273 -7.844) 11.041 9.529 ( -9.970 6.186 11.963) 16.757 9.909 ( 0.986 -4.158 13.301) 13.971 10.243 ( 1.879 -5.023 -12.971) 14.036 10.543 ( 8.377 -2.108 12.825) 15.462 10.759 ( 6.190 2.951 -11.216) 13.146 11.339 ( 11.152 0.726 2.461) 11.443 11.724 ( 5.786 -5.962 0.600) 8.329 12.136 ( -15.315 -8.450 1.511) 17.557 12.280 ( -13.605 -2.264 1.343) 13.858 12.672 ( -10.730 0.882 1.596) 10.884 12.908 ( -1.114 0.837 0.551) 1.498 13.974 ( -8.937 4.955 -1.593) 10.342 14.292 ( -7.409 6.635 3.867) 10.671 14.504 ( -12.810 1.520 -1.241) 12.959 14.653 ( -7.244 4.466 -9.131) 12.482 15.020 ( -5.908 1.726 -0.811) 6.208 15.698 ( 11.245 -7.638 0.799) 13.618 15.940 ( 8.648 -1.642 0.736) 8.833 16.191 ( 5.206 -2.308 0.201) 5.698 20.208 ( -11.919 1.288 -2.097) 12.170 20.592 ( -5.173 5.168 2.704) 7.796 22.249 ( 0.138 -2.540 0.230) 2.554 22.571 ( 2.104 -1.247 1.372) 2.805 ======================= Grid point 118 (50/160) ======================= q-point: (-0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -4.411 25.923 21.923) 34.236 1.016 ( -17.719 23.671 9.546) 31.071 1.680 ( -35.901 40.557 11.723) 55.418 2.438 ( -1.547 5.321 -6.666) 8.668 2.536 ( 1.542 4.391 3.544) 5.850 2.699 ( 0.304 -1.925 -5.018) 5.383 2.890 ( 11.638 -8.846 3.807) 15.106 3.019 ( -3.801 -10.443 -7.068) 13.171 3.147 ( 6.106 -3.628 0.436) 7.116 3.177 ( 4.628 0.325 3.471) 5.794 3.200 ( 0.251 3.738 -5.450) 6.613 3.494 ( 5.418 0.258 9.249) 10.723 3.545 ( 9.517 7.928 3.458) 12.860 3.621 ( -0.971 -2.993 5.906) 6.691 4.004 ( -3.307 -8.448 -4.839) 10.282 4.173 ( 1.150 0.893 1.111) 1.832 4.280 ( 5.839 1.779 -2.035) 6.435 4.298 ( -2.870 -3.979 -4.249) 6.490 4.784 ( 1.855 7.281 4.405) 8.710 4.796 ( -2.496 5.702 4.123) 7.466 5.060 ( -3.935 8.792 3.291) 10.179 5.271 ( -10.847 5.264 -4.352) 12.818 5.465 ( -9.582 0.219 -9.806) 13.712 5.567 ( -7.665 -5.562 7.350) 11.988 5.677 ( -7.730 3.697 5.233) 10.040 5.990 ( 2.350 -0.721 3.265) 4.087 6.196 ( 1.417 -6.187 0.917) 6.413 6.564 ( 3.724 6.066 -0.895) 7.174 6.595 ( 2.026 3.528 0.403) 4.088 7.259 ( -2.161 12.826 2.804) 13.305 7.323 ( -1.277 -1.237 2.903) 3.404 7.346 ( -6.625 6.641 -7.301) 11.887 8.149 ( 2.157 -5.593 -2.452) 6.476 8.211 ( 7.709 -10.661 -3.851) 13.708 8.508 ( 10.279 16.108 -1.184) 19.145 9.217 ( 3.718 12.004 -0.894) 12.599 9.326 ( 3.176 1.323 -6.158) 7.054 9.525 ( -4.293 3.207 6.946) 8.773 9.933 ( -2.500 -5.855 -9.081) 11.090 10.297 ( 9.086 -3.043 10.499) 14.214 10.679 ( 0.121 -1.781 -5.748) 6.019 10.842 ( 7.212 0.901 5.980) 9.412 11.516 ( 5.710 -0.527 -2.059) 6.093 11.792 ( -15.876 -12.028 5.463) 20.654 11.841 ( -6.417 -5.187 2.800) 8.714 12.075 ( -9.416 -1.500 -0.582) 9.552 12.496 ( -10.151 1.507 0.441) 10.272 12.881 ( -0.909 -1.039 -2.539) 2.890 13.860 ( -4.404 8.684 2.407) 10.030 14.299 ( -4.937 4.571 8.546) 10.877 14.335 ( -7.332 3.028 0.376) 7.942 14.522 ( 9.677 17.822 -5.367) 20.977 14.934 ( -2.221 -1.026 -2.548) 3.532 15.835 ( 4.801 -2.310 -1.396) 5.508 16.047 ( 3.147 -2.083 0.576) 3.817 16.252 ( 3.426 -3.397 -2.121) 5.270 20.028 ( -7.075 4.030 0.492) 8.156 20.504 ( -7.015 4.965 -1.737) 8.768 22.247 ( 0.456 -2.850 -1.239) 3.141 22.587 ( 0.829 -1.952 -2.728) 3.455 ======================= Grid point 119 (51/160) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -6.340 20.438 7.762) 22.763 1.473 ( -6.354 23.245 5.819) 24.790 2.264 ( -6.322 -4.366 -13.785) 15.781 2.518 ( -0.258 -4.699 -5.409) 7.169 2.573 ( 4.432 8.514 4.468) 10.588 2.653 ( 6.572 11.095 13.809) 18.894 2.696 ( -1.403 1.897 -0.513) 2.415 2.913 ( 6.213 -11.605 4.768) 14.000 3.100 ( -0.392 3.161 -11.909) 12.328 3.155 ( 4.766 -3.862 0.664) 6.170 3.388 ( -3.691 -11.204 -2.994) 12.170 3.537 ( -2.192 -1.644 0.662) 2.819 3.697 ( 5.398 1.640 6.254) 8.423 3.775 ( -2.270 3.349 14.605) 15.155 3.960 ( 1.980 6.315 6.505) 9.280 4.099 ( 2.619 5.797 6.373) 9.005 4.375 ( -7.025 9.530 5.285) 12.965 4.594 ( 6.064 11.751 3.144) 13.592 4.873 ( -4.725 3.844 -3.580) 7.066 4.963 ( -4.155 4.384 6.422) 8.817 5.053 ( -5.818 6.391 2.486) 8.993 5.300 ( 3.934 0.630 -3.716) 5.448 5.467 ( -2.819 -0.169 -4.514) 5.324 5.575 ( 7.391 18.112 -3.499) 19.872 5.752 ( -2.197 6.708 1.972) 7.329 5.906 ( -0.914 -4.857 -0.064) 4.942 6.150 ( 1.367 -7.860 4.112) 8.975 6.695 ( -1.564 4.162 -5.846) 7.344 6.821 ( 1.531 6.680 4.567) 8.235 7.218 ( 3.616 -2.658 2.263) 5.026 7.441 ( -2.855 8.355 0.457) 8.841 7.681 ( 3.257 16.431 1.127) 16.789 7.899 ( 0.944 -10.952 -5.423) 12.257 8.049 ( 1.040 -9.178 -0.417) 9.246 8.796 ( -3.652 7.054 -2.189) 8.240 9.279 ( 1.874 -4.229 2.266) 5.151 9.347 ( -0.788 5.946 -2.742) 6.595 9.559 ( -1.655 2.057 -14.305) 14.546 9.746 ( 4.309 2.860 1.441) 5.369 10.407 ( -9.218 -5.447 4.582) 11.646 10.528 ( 1.993 -2.151 1.183) 3.162 11.006 ( 1.841 1.790 0.395) 2.598 11.540 ( -3.196 -7.433 -4.458) 9.238 11.634 ( 6.897 5.181 8.184) 11.890 11.860 ( -7.870 -1.890 -2.043) 8.347 11.981 ( 2.633 3.075 10.070) 10.853 12.434 ( -0.558 2.675 -1.711) 3.224 12.774 ( 0.285 -3.259 -5.012) 5.985 14.123 ( 2.573 8.977 6.416) 11.330 14.399 ( -0.249 1.283 13.463) 13.526 14.446 ( -3.181 15.199 -1.052) 15.564 14.906 ( 0.074 5.860 -2.756) 6.476 14.992 ( 2.934 15.366 -2.398) 15.826 15.790 ( -0.033 -4.978 -3.811) 6.269 15.964 ( -0.397 -7.474 0.289) 7.490 16.149 ( 0.561 -6.471 -4.412) 7.852 20.185 ( 2.589 11.896 2.556) 12.440 20.480 ( -2.943 7.287 -3.415) 8.569 22.151 ( 0.037 -4.710 -2.183) 5.191 22.454 ( -0.042 -6.084 -6.473) 8.884 ======================= Grid point 120 (52/160) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 4.991 9.579 5.850) 12.283 1.565 ( -1.981 14.113 15.568) 21.106 1.980 ( -5.264 -2.710 -12.632) 13.951 2.405 ( -3.919 -5.999 -5.629) 9.112 2.618 ( -0.914 -1.645 0.984) 2.124 2.707 ( 7.491 -0.412 -5.077) 9.059 2.862 ( -2.492 3.241 -8.303) 9.254 3.041 ( 1.039 -12.109 -1.638) 12.264 3.098 ( 5.975 -9.598 -1.289) 11.379 3.253 ( 3.667 -0.313 5.998) 7.037 3.276 ( -0.429 8.508 12.580) 15.193 3.468 ( -7.857 4.386 -2.400) 9.313 3.731 ( -3.048 2.448 2.956) 4.902 3.913 ( -7.043 6.208 16.210) 18.733 4.104 ( -8.192 7.269 4.499) 11.840 4.186 ( 1.117 -2.063 11.121) 11.366 4.344 ( 4.123 14.257 5.211) 15.729 4.632 ( -4.966 6.421 2.955) 8.639 4.775 ( -2.312 4.074 -2.623) 5.369 4.936 ( -0.653 11.046 0.820) 11.096 5.053 ( -1.105 3.463 5.050) 6.222 5.344 ( -0.630 2.854 -1.241) 3.176 5.388 ( 6.386 -1.993 -2.577) 7.169 5.746 ( 9.346 4.936 -3.166) 11.034 5.757 ( -0.595 5.933 1.643) 6.185 5.900 ( 4.195 0.543 -0.414) 4.250 6.211 ( -0.353 -7.105 2.962) 7.705 6.611 ( 3.045 1.780 -5.998) 6.958 6.868 ( -3.145 1.440 4.064) 5.337 7.320 ( 4.755 6.211 0.099) 7.822 7.375 ( -4.627 9.778 -0.282) 10.821 7.774 ( 4.724 7.748 1.871) 9.265 7.874 ( 2.536 -7.227 -4.044) 8.661 8.051 ( -0.003 -8.017 -0.702) 8.048 8.690 ( -1.929 9.955 -0.127) 10.141 9.231 ( -3.694 6.565 -4.819) 8.942 9.373 ( 3.560 1.488 -3.438) 5.168 9.454 ( 5.290 4.381 -5.093) 8.551 9.801 ( -4.440 5.658 7.898) 10.682 10.249 ( -6.895 -2.264 -9.432) 11.901 10.542 ( -3.424 -3.276 7.730) 9.067 11.068 ( 1.755 -4.412 5.383) 7.178 11.334 ( -12.155 -4.187 -6.750) 14.520 11.659 ( -9.838 -7.295 -3.093) 12.633 11.950 ( 13.576 4.217 8.830) 16.735 12.189 ( 7.300 0.792 8.243) 11.039 12.477 ( 7.723 2.084 -2.876) 8.501 12.732 ( 3.393 -1.632 -7.149) 8.080 14.286 ( 3.237 13.116 7.794) 15.596 14.313 ( -5.621 11.644 -2.641) 13.196 14.658 ( 6.539 0.883 17.941) 19.116 14.882 ( -0.971 5.276 -1.667) 5.618 14.997 ( 4.365 11.730 -2.419) 12.747 15.663 ( -7.390 -5.716 -4.883) 10.541 15.937 ( -3.716 -6.759 -0.795) 7.754 16.057 ( -3.397 -6.926 -6.372) 10.006 20.299 ( 3.873 8.684 4.858) 10.677 20.451 ( 4.997 6.645 -4.081) 9.262 22.119 ( -0.555 -5.124 -2.451) 5.707 22.368 ( 0.495 -5.319 -8.103) 9.706 ======================= Grid point 121 (53/160) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 8.082 4.315 8.081) 12.216 1.763 ( 4.983 -5.078 12.918) 14.748 1.872 ( 4.024 4.487 1.958) 6.337 2.256 ( -4.423 -3.796 -6.714) 8.891 2.549 ( -6.204 5.363 -3.881) 9.073 2.689 ( -1.287 -0.031 -8.881) 8.974 2.801 ( 7.628 -5.842 -5.521) 11.081 2.902 ( -7.325 -5.608 -5.495) 10.737 3.066 ( -8.739 -5.215 -9.204) 13.722 3.196 ( 2.266 -11.508 3.206) 12.159 3.260 ( -12.279 -0.231 3.179) 12.686 3.584 ( -0.750 -1.247 0.698) 1.614 3.822 ( 0.445 6.510 10.789) 12.609 3.892 ( -9.370 6.132 5.806) 12.614 3.927 ( -1.465 8.427 7.506) 11.380 4.396 ( 7.215 12.621 -0.039) 14.538 4.497 ( -1.744 6.117 16.023) 17.239 4.655 ( -1.479 -2.942 2.427) 4.090 4.694 ( 0.345 0.758 1.722) 1.913 4.981 ( 3.748 11.589 -0.283) 12.183 5.051 ( -5.976 -2.459 4.177) 7.694 5.338 ( 2.644 4.460 -4.047) 6.577 5.469 ( 3.802 0.833 -0.668) 3.949 5.749 ( 0.488 1.632 0.398) 1.749 5.835 ( 4.438 3.389 1.022) 5.676 6.045 ( 9.201 0.658 0.977) 9.276 6.189 ( -7.171 -10.417 4.015) 13.268 6.577 ( -0.362 -2.875 -10.380) 10.777 6.871 ( 2.998 5.630 1.232) 6.496 7.285 ( -4.975 12.057 -0.520) 13.053 7.396 ( 3.409 9.726 2.525) 10.612 7.832 ( -0.552 -8.862 0.760) 8.912 7.894 ( 5.612 3.829 -5.334) 8.637 8.034 ( -0.397 -1.515 -1.321) 2.049 8.812 ( 10.635 6.200 7.391) 14.359 9.142 ( 1.200 5.335 -3.689) 6.596 9.387 ( 3.077 7.336 -5.791) 9.840 9.509 ( 4.192 6.361 -1.668) 7.798 9.780 ( -7.551 5.491 5.124) 10.651 10.018 ( -3.527 0.637 -6.041) 7.024 10.600 ( -3.407 -3.390 8.199) 9.503 10.987 ( -12.347 -3.384 -11.443) 17.171 11.186 ( -2.172 -4.875 10.908) 12.143 11.455 ( -7.283 -8.814 -5.328) 12.613 12.259 ( 10.595 0.331 6.765) 12.575 12.399 ( 6.542 -0.803 5.802) 8.781 12.597 ( 9.206 1.511 -1.981) 9.538 12.720 ( 5.703 0.670 -7.713) 9.616 14.176 ( -4.159 6.897 -1.149) 8.136 14.433 ( 2.157 9.570 3.764) 10.507 14.856 ( 3.991 4.546 2.424) 6.517 15.039 ( 8.750 -1.767 8.761) 12.508 15.083 ( 7.344 7.903 3.410) 11.314 15.451 ( -10.678 -6.597 -2.473) 12.793 15.802 ( -11.265 -8.690 -0.311) 14.231 15.905 ( -2.257 -5.354 -9.555) 11.183 20.389 ( 3.691 1.901 -0.436) 4.175 20.543 ( 5.342 3.018 2.459) 6.611 22.081 ( -0.195 -3.976 -2.327) 4.611 22.286 ( 0.354 -3.365 -6.555) 7.377 ======================= Grid point 122 (54/160) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -1.425 -2.986 9.428) 9.992 1.994 ( 6.534 5.360 5.734) 10.213 2.080 ( 4.777 1.916 -2.682) 5.804 2.239 ( 11.106 -5.785 8.239) 14.989 2.355 ( -4.557 8.085 -6.806) 11.509 2.604 ( -2.977 -3.769 -8.578) 9.831 2.638 ( -7.633 -4.431 -7.606) 11.651 2.742 ( -7.553 -3.084 -2.006) 8.401 2.939 ( 5.214 -3.609 -5.983) 8.718 3.056 ( -16.478 4.004 5.041) 17.691 3.283 ( -1.410 -2.538 7.511) 8.052 3.526 ( -2.525 -5.095 -3.198) 6.524 3.733 ( -3.418 -4.805 1.789) 6.162 3.913 ( 3.234 -11.126 -1.006) 11.631 4.177 ( 5.043 11.778 10.059) 16.290 4.386 ( -0.881 6.991 -5.212) 8.764 4.526 ( -2.860 6.422 -3.106) 7.685 4.640 ( -1.305 1.152 1.332) 2.193 4.804 ( -4.053 -10.267 6.166) 12.644 4.948 ( -9.315 -7.809 3.997) 12.795 5.143 ( 13.191 3.453 3.315) 14.033 5.297 ( 0.545 3.818 -3.821) 5.429 5.550 ( 5.305 6.988 1.298) 8.869 5.750 ( -1.739 0.359 -0.527) 1.853 5.906 ( 2.751 3.002 -1.484) 4.334 6.118 ( -3.602 -7.404 5.814) 10.080 6.237 ( 4.994 2.509 8.860) 10.475 6.359 ( -5.254 -1.452 -14.819) 15.790 6.910 ( 0.278 7.019 -4.071) 8.119 7.200 ( -4.023 13.213 -0.733) 13.832 7.524 ( 3.202 5.197 7.707) 9.831 7.808 ( -2.817 -4.089 -0.680) 5.012 7.887 ( 4.199 -2.299 -7.178) 8.628 8.030 ( 3.409 5.680 -3.139) 7.331 9.109 ( 3.124 0.991 1.548) 3.625 9.201 ( 7.953 2.984 8.468) 11.994 9.308 ( 4.297 3.753 -7.269) 9.241 9.562 ( 3.338 8.764 -1.318) 9.470 9.787 ( 6.286 7.118 1.939) 9.692 10.010 ( 1.131 0.406 3.829) 4.013 10.528 ( -12.026 -4.709 -1.235) 12.974 10.670 ( -11.216 1.949 -4.285) 12.164 11.248 ( -5.208 -4.858 8.084) 10.774 11.323 ( 0.425 -7.937 -5.074) 9.430 12.443 ( 4.977 -3.099 0.563) 5.890 12.546 ( 3.460 -1.886 5.572) 6.825 12.730 ( 6.253 2.450 -0.352) 6.725 12.760 ( 8.178 1.456 -3.859) 9.160 14.150 ( 2.015 -1.452 -0.426) 2.520 14.483 ( 2.240 -0.980 0.984) 2.636 14.971 ( -1.656 -2.308 1.829) 3.379 15.058 ( 2.153 -1.234 -5.614) 6.138 15.305 ( 5.321 3.369 3.810) 7.361 15.382 ( -0.507 -3.181 6.358) 7.127 15.578 ( -11.440 -6.495 -0.364) 13.160 15.780 ( -0.004 -2.698 -6.502) 7.039 20.432 ( 3.423 -4.044 -2.307) 5.779 20.641 ( 1.169 -4.430 3.405) 5.709 22.071 ( 1.420 -1.005 -0.491) 1.808 22.228 ( -0.762 -1.186 -2.451) 2.828 ======================= Grid point 123 (55/160) ======================= q-point: ( 0.40 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -3.261 1.983 3.251) 5.013 1.995 ( -5.726 2.789 -2.309) 6.775 2.194 ( 7.414 4.596 -2.279) 9.016 2.243 ( 3.134 7.167 -0.052) 7.823 2.443 ( 1.592 -4.600 -5.332) 7.220 2.505 ( -2.372 -4.398 -3.700) 6.217 2.591 ( 7.996 -2.776 3.004) 8.981 2.697 ( -2.339 -3.154 8.176) 9.070 2.832 ( -12.866 5.292 6.670) 15.428 2.965 ( 4.669 -1.396 -6.131) 7.832 3.334 ( -5.158 0.557 8.208) 9.710 3.363 ( -6.919 1.929 -3.970) 8.207 3.844 ( 9.171 -17.443 -1.877) 19.796 3.884 ( 0.705 -11.285 -6.891) 13.242 4.226 ( -2.477 -3.993 -3.855) 6.077 4.360 ( 1.889 6.776 -2.947) 7.627 4.453 ( 0.224 -5.359 -4.311) 6.882 4.587 ( -5.265 -8.090 2.766) 10.041 4.720 ( -2.470 3.271 -2.400) 4.750 4.900 ( -7.206 -14.093 7.933) 17.705 5.159 ( 0.011 5.251 -5.117) 7.332 5.465 ( 6.830 -1.769 4.232) 8.227 5.647 ( 3.098 5.149 -3.185) 6.801 5.708 ( -0.882 -4.425 3.785) 5.890 5.946 ( 4.244 6.451 -1.753) 7.918 6.028 ( -6.138 -1.304 -13.308) 14.713 6.229 ( 1.882 4.172 2.898) 5.417 6.410 ( 2.762 4.876 6.818) 8.825 6.806 ( -3.041 9.270 -4.318) 10.669 7.149 ( -2.368 12.057 2.693) 12.579 7.597 ( -3.478 2.491 2.303) 4.859 7.725 ( -1.495 -7.572 -2.564) 8.133 7.944 ( 7.819 1.711 -3.275) 8.648 8.054 ( 3.213 4.880 -3.343) 6.732 9.017 ( -3.379 3.968 -1.692) 5.480 9.338 ( 1.420 -2.869 -0.934) 3.335 9.485 ( 7.323 8.035 0.754) 10.898 9.674 ( 8.923 1.108 6.184) 10.913 9.975 ( 8.503 5.824 4.758) 11.351 10.093 ( 4.185 -3.060 0.947) 5.270 10.274 ( -9.752 -2.633 -2.869) 10.501 10.445 ( -12.851 6.033 -0.484) 14.205 11.209 ( -5.897 -4.037 2.438) 7.551 11.317 ( 2.637 -5.251 -2.684) 6.460 12.488 ( 2.877 -4.557 -1.773) 5.673 12.637 ( -1.580 -3.488 5.483) 6.688 12.806 ( 5.022 2.505 -1.508) 5.811 12.877 ( 4.790 1.828 2.021) 5.511 14.221 ( 5.983 -9.034 0.199) 10.837 14.562 ( 5.308 -12.684 -0.124) 13.751 14.789 ( -9.516 -9.866 -0.776) 13.729 15.073 ( -7.694 -9.687 -0.430) 12.379 15.282 ( -0.383 0.119 -4.580) 4.598 15.465 ( 1.865 3.197 -7.992) 8.807 15.508 ( 7.101 5.931 3.993) 10.076 15.771 ( -1.967 0.978 4.888) 5.359 20.453 ( 2.353 -9.386 -2.259) 9.937 20.659 ( -1.452 -10.366 0.191) 10.468 22.122 ( 2.556 1.366 3.196) 4.314 22.205 ( -1.725 0.709 2.185) 2.873 ======================= Grid point 124 (56/160) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -5.618 1.223 -1.999) 6.087 1.916 ( 1.577 6.303 -2.295) 6.891 2.245 ( 4.989 -0.974 -6.148) 7.977 2.345 ( -0.171 2.405 0.969) 2.599 2.410 ( 1.207 5.548 3.764) 6.812 2.517 ( -4.548 -1.033 -0.096) 4.665 2.578 ( 4.793 -1.887 -0.025) 5.151 2.711 ( 0.216 -0.394 4.245) 4.269 2.871 ( -6.003 -2.893 6.833) 9.545 2.965 ( 3.954 0.573 -5.458) 6.764 3.248 ( -5.737 -1.645 -2.528) 6.482 3.316 ( 3.257 2.093 1.244) 4.066 3.794 ( 0.660 -9.012 -10.280) 13.687 3.901 ( 3.829 -15.692 -8.479) 18.242 4.103 ( -3.472 -10.956 -6.064) 12.994 4.369 ( 0.462 0.515 -0.833) 1.082 4.430 ( 4.733 -16.175 -3.260) 17.166 4.549 ( -3.645 -4.583 3.170) 6.659 4.732 ( 1.530 8.140 3.677) 9.062 4.836 ( -7.965 -13.229 3.758) 15.892 5.185 ( 6.141 4.049 0.673) 7.386 5.555 ( -0.724 -4.175 2.463) 4.901 5.618 ( -0.834 2.215 -1.193) 2.650 5.671 ( -1.657 4.188 -20.308) 20.801 5.802 ( -0.448 2.441 4.646) 5.267 6.021 ( 1.084 2.451 -2.214) 3.476 6.239 ( -0.260 6.388 -3.846) 7.461 6.443 ( -3.097 4.612 1.637) 5.792 6.847 ( 6.286 5.420 5.020) 9.700 7.198 ( 1.258 12.560 6.875) 14.373 7.491 ( -4.109 -3.387 -6.289) 8.240 7.726 ( 1.242 -2.211 1.217) 2.813 8.011 ( 4.867 1.611 -4.555) 6.858 8.041 ( -0.543 2.742 -3.065) 4.148 9.021 ( 3.067 2.825 2.106) 4.672 9.256 ( -3.985 -1.183 -6.437) 7.663 9.582 ( 2.964 6.007 1.630) 6.894 9.750 ( -7.493 2.269 1.181) 7.918 10.121 ( -12.032 0.063 3.702) 12.589 10.158 ( 7.855 3.999 0.995) 8.871 10.257 ( 5.741 -4.164 6.006) 9.294 10.288 ( 2.222 6.630 0.458) 7.007 11.116 ( -5.030 -2.262 -1.140) 5.632 11.338 ( 3.404 -5.094 -2.489) 6.613 12.522 ( 2.068 -4.783 -0.062) 5.211 12.615 ( -5.555 -3.443 1.520) 6.710 12.861 ( 0.494 1.610 2.215) 2.783 12.956 ( 1.003 1.656 2.778) 3.386 14.318 ( 0.418 -13.290 1.989) 13.445 14.555 ( 0.523 -13.925 -1.618) 14.028 14.836 ( 9.500 -12.726 -0.260) 15.883 14.842 ( -10.126 -14.188 0.040) 17.431 15.256 ( 2.604 4.231 -8.622) 9.951 15.333 ( -3.103 3.007 -8.675) 9.692 15.685 ( -0.777 6.824 5.498) 8.798 15.785 ( 2.055 4.152 3.824) 6.007 20.469 ( 2.338 -11.809 -1.254) 12.103 20.604 ( -2.441 -12.646 -3.266) 13.287 22.202 ( -2.241 1.796 6.018) 6.668 22.241 ( 2.471 1.716 5.473) 6.245 ======================= Grid point 125 (57/160) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -6.279 0.609 -7.520) 9.815 1.929 ( 1.030 5.899 1.735) 6.235 2.139 ( -8.074 -0.526 -7.389) 10.958 2.310 ( -1.179 -3.473 -1.069) 3.820 2.451 ( -3.907 4.419 4.072) 7.167 2.573 ( 12.583 -2.798 -0.611) 12.904 2.707 ( 5.892 0.776 3.469) 6.881 2.840 ( 5.914 -0.301 6.935) 9.119 2.850 ( 3.998 -2.517 3.405) 5.824 2.963 ( 2.407 1.537 -4.740) 5.534 3.144 ( 0.751 -1.396 -6.256) 6.453 3.444 ( 9.485 0.176 -3.916) 10.263 3.653 ( -3.011 -9.175 -6.746) 11.779 3.748 ( -8.592 -10.747 -5.196) 14.708 4.068 ( 7.209 -4.462 -11.574) 14.347 4.253 ( -17.553 -4.073 2.012) 18.132 4.407 ( 7.707 -6.044 -7.238) 12.179 4.647 ( -1.026 -1.423 2.267) 2.867 4.715 ( -2.929 -6.306 0.713) 6.990 4.865 ( 3.691 1.412 9.365) 10.165 5.234 ( -5.477 2.307 -1.109) 6.046 5.436 ( 0.284 0.869 -8.819) 8.866 5.541 ( -3.892 -1.580 5.310) 6.770 5.643 ( 5.841 -0.355 -6.547) 8.782 5.872 ( 0.892 4.144 1.729) 4.578 5.932 ( -1.993 2.721 -2.241) 4.050 6.245 ( 1.104 2.830 0.831) 3.149 6.412 ( 3.020 4.198 -3.324) 6.148 7.005 ( 2.832 -0.697 4.643) 5.483 7.274 ( -4.700 5.740 -3.482) 8.195 7.374 ( 2.681 4.217 1.640) 5.259 7.767 ( 1.852 1.306 -0.015) 2.266 7.967 ( -0.050 -2.755 -5.457) 6.113 8.028 ( 1.671 4.077 -2.338) 4.988 9.072 ( -4.122 -3.288 -3.685) 6.433 9.148 ( 2.878 3.404 -0.915) 4.550 9.561 ( -7.666 8.690 -3.156) 12.010 9.653 ( -2.718 1.683 7.247) 7.921 9.944 ( -11.995 8.609 4.256) 15.366 10.192 ( -5.538 4.266 4.023) 8.065 10.302 ( 6.068 -2.285 -1.934) 6.767 10.590 ( 15.054 -1.451 3.982) 15.639 11.039 ( -1.186 -1.430 -1.560) 2.425 11.379 ( 4.064 -6.589 -0.926) 7.797 12.494 ( -7.690 -2.320 -1.431) 8.158 12.536 ( -2.335 -2.816 0.904) 3.769 12.868 ( -3.602 1.166 3.463) 5.131 12.976 ( -2.658 0.500 2.882) 3.952 14.248 ( -7.046 -6.796 0.807) 9.823 14.548 ( -6.453 -11.010 -0.552) 12.774 14.790 ( 11.568 -11.900 -1.322) 16.649 15.044 ( 4.042 -6.294 -4.182) 8.570 15.122 ( -5.757 0.785 -5.287) 7.855 15.239 ( 8.689 -6.612 -4.893) 11.964 15.582 ( -11.411 9.158 1.953) 14.761 15.952 ( 6.932 3.395 4.563) 8.966 20.489 ( -2.399 -10.008 -1.886) 10.463 20.529 ( 2.314 -10.537 -2.181) 11.007 22.220 ( -3.523 1.716 5.738) 6.948 22.365 ( 2.540 0.414 6.577) 7.063 ======================= Grid point 126 (58/160) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -6.968 10.637 -10.198) 16.300 1.831 ( -13.750 3.173 -5.433) 15.121 2.068 ( 3.612 -0.406 11.521) 12.081 2.309 ( 3.022 -8.370 -0.658) 8.923 2.492 ( 3.358 1.966 1.985) 4.369 2.811 ( 11.722 -6.070 -0.645) 13.216 2.853 ( 4.469 0.223 4.060) 6.042 2.919 ( 5.428 -4.923 -2.644) 7.790 2.950 ( 4.476 -1.196 -2.562) 5.294 3.091 ( 3.863 -1.679 -8.804) 9.759 3.168 ( 13.307 5.235 9.961) 17.427 3.462 ( 6.182 1.790 -11.907) 13.535 3.547 ( -6.310 -0.063 -3.368) 7.153 3.607 ( -8.826 8.761 0.885) 12.468 3.895 ( -11.335 -7.239 -4.308) 14.122 4.054 ( 2.409 -8.286 -5.998) 10.509 4.437 ( 1.615 6.301 -5.413) 8.462 4.560 ( -0.597 0.318 -5.859) 5.898 4.698 ( -3.270 -2.960 1.254) 4.585 5.028 ( -7.825 -2.705 11.485) 14.158 5.162 ( 3.134 5.879 6.196) 9.098 5.371 ( -0.550 0.434 -3.543) 3.612 5.517 ( -2.764 -0.117 0.196) 2.773 5.671 ( 3.170 -7.699 -2.000) 8.563 5.802 ( -2.116 6.382 -3.091) 7.400 6.031 ( 4.816 -0.745 2.434) 5.448 6.202 ( -1.834 3.172 -3.159) 4.838 6.505 ( 6.853 -0.488 -1.467) 7.025 6.928 ( -9.370 0.046 -6.501) 11.404 7.193 ( 2.471 7.677 0.367) 8.073 7.483 ( 0.917 7.496 5.850) 9.553 7.772 ( 2.257 -1.839 -5.491) 6.215 7.930 ( 0.446 -1.062 -1.302) 1.739 8.029 ( 1.547 2.360 -1.839) 3.368 8.900 ( -11.089 2.326 -1.989) 11.503 9.143 ( -0.462 -0.992 -2.486) 2.716 9.475 ( 2.708 10.156 -3.159) 10.976 9.702 ( -4.378 -0.373 8.539) 9.603 9.823 ( -9.855 9.695 7.716) 15.832 10.215 ( 3.399 1.914 2.693) 4.740 10.326 ( 0.827 -2.921 -1.986) 3.628 10.808 ( 9.406 2.023 -5.306) 10.987 11.093 ( 7.079 -2.354 4.604) 8.766 11.456 ( 4.852 -8.942 0.630) 10.193 12.313 ( -10.993 -0.053 -1.812) 11.141 12.455 ( -8.536 -0.244 0.946) 8.592 12.817 ( -6.897 0.617 2.520) 7.369 12.943 ( -3.910 -0.631 1.885) 4.386 14.157 ( -2.845 0.619 -1.193) 3.147 14.447 ( -4.063 0.425 0.942) 4.192 14.831 ( -10.271 0.671 -8.032) 13.056 14.839 ( -6.609 -2.192 -4.177) 8.119 15.176 ( 15.868 -10.503 -0.174) 19.030 15.379 ( -11.473 11.014 2.502) 16.100 15.515 ( 17.687 -14.397 -1.288) 22.842 16.093 ( 3.784 0.977 3.255) 5.086 20.378 ( -4.393 -4.193 -3.951) 7.245 20.595 ( 2.644 -5.287 2.516) 6.424 22.216 ( -3.309 0.279 3.578) 4.882 22.469 ( 1.417 -1.602 4.735) 5.195 ======================= Grid point 127 (59/160) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.403 22.581 3.551) 22.862 1.580 ( -11.641 11.511 1.523) 16.442 2.303 ( 5.150 -7.202 12.074) 14.972 2.398 ( 7.645 -9.730 -0.153) 12.375 2.555 ( 3.240 2.333 -1.955) 4.445 2.840 ( 1.226 -4.529 -8.396) 9.618 2.847 ( -3.009 -7.118 -3.039) 8.304 2.968 ( -3.780 12.072 -0.629) 12.666 3.075 ( 1.415 -7.839 -6.590) 10.339 3.095 ( -8.278 8.278 -5.465) 12.919 3.192 ( 3.481 3.849 5.547) 7.596 3.442 ( 2.461 7.009 -2.651) 7.887 3.498 ( 5.205 -0.907 -0.326) 5.293 3.558 ( 11.231 15.133 5.915) 19.752 3.895 ( 2.887 -6.886 -0.362) 7.475 4.037 ( 2.374 -10.929 -5.873) 12.633 4.348 ( -7.112 7.922 -1.855) 10.807 4.456 ( 3.784 4.947 -6.849) 9.257 4.765 ( 4.358 3.599 5.781) 8.085 4.953 ( -7.120 2.266 4.879) 8.924 5.272 ( -9.443 2.267 4.956) 10.903 5.343 ( -1.680 3.711 3.739) 5.530 5.491 ( 2.579 -5.141 -0.063) 5.751 5.702 ( 1.697 -2.982 -0.307) 3.444 5.751 ( 0.530 2.197 -2.346) 3.257 6.053 ( -3.250 -1.649 -2.673) 4.520 6.171 ( -0.905 4.184 0.823) 4.360 6.505 ( 2.205 1.567 -5.869) 6.463 6.774 ( -1.720 6.730 -1.851) 7.188 7.261 ( 3.354 3.246 0.540) 4.698 7.523 ( -4.570 8.710 5.317) 11.181 7.704 ( -0.356 1.661 -7.418) 7.610 7.951 ( 2.408 -2.626 0.164) 3.567 8.034 ( 1.415 -2.381 -2.361) 3.640 8.715 ( -5.904 8.538 0.696) 10.404 9.148 ( 3.522 -2.613 -1.722) 4.711 9.501 ( 3.694 6.801 -4.129) 8.773 9.659 ( -9.626 2.723 6.743) 12.064 9.840 ( -3.155 -0.145 11.287) 11.721 10.184 ( 3.080 2.216 -11.680) 12.281 10.461 ( 5.088 -5.425 9.730) 12.247 10.852 ( 6.332 5.696 -5.714) 10.256 11.331 ( 13.226 -2.052 2.046) 13.539 11.546 ( 3.783 -10.747 1.433) 11.484 12.071 ( -15.468 2.597 -0.443) 15.691 12.279 ( -12.564 1.550 0.854) 12.688 12.691 ( -9.896 0.771 1.382) 10.022 12.896 ( -3.061 -1.984 0.046) 3.648 14.114 ( 0.118 8.280 -3.146) 8.858 14.419 ( -4.101 5.596 4.951) 8.523 14.543 ( -13.696 1.489 -2.008) 13.922 14.742 ( 4.250 3.444 -4.819) 7.290 15.176 ( -9.642 13.767 -1.628) 16.887 15.487 ( 15.574 -12.039 1.266) 19.725 15.798 ( 13.771 -11.382 0.555) 17.874 16.155 ( 1.125 -1.859 0.236) 2.185 20.259 ( -4.741 3.617 -2.413) 6.433 20.646 ( -1.246 -0.204 2.793) 3.065 22.196 ( -1.947 -1.827 0.806) 2.789 22.521 ( 0.406 -3.729 1.206) 3.941 ======================= Grid point 128 (60/160) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -3.083 23.546 9.965) 25.753 1.502 ( -3.280 22.479 8.757) 24.346 2.434 ( -0.776 -4.988 -4.835) 6.990 2.513 ( -4.892 10.265 1.275) 11.442 2.548 ( -3.664 6.543 -1.311) 7.612 2.592 ( 2.452 -0.439 0.480) 2.537 2.731 ( -1.487 -10.538 -5.014) 11.764 2.819 ( -2.664 4.352 1.463) 5.308 3.049 ( 6.739 -4.206 -3.067) 8.516 3.184 ( 5.919 -1.682 -3.780) 7.221 3.352 ( 4.454 2.770 -0.846) 5.313 3.509 ( 2.322 5.397 14.154) 15.325 3.557 ( 0.624 -5.084 1.208) 5.263 3.781 ( -2.017 -1.637 -7.654) 8.082 3.847 ( 3.903 10.849 4.889) 12.524 4.015 ( 2.669 -5.255 -0.940) 5.969 4.353 ( 0.803 6.597 7.624) 10.114 4.465 ( 3.899 12.157 -1.915) 12.910 4.891 ( 0.934 5.000 6.250) 8.059 4.950 ( -0.595 4.776 1.619) 5.078 5.162 ( -9.988 4.105 5.257) 12.010 5.277 ( 2.291 -2.195 -5.108) 6.013 5.507 ( -2.090 1.558 -1.695) 3.110 5.684 ( -3.972 9.079 -3.154) 10.400 5.767 ( -1.431 1.403 2.694) 3.357 5.922 ( -2.974 -2.996 -1.609) 4.518 6.132 ( -4.875 0.495 2.968) 5.729 6.625 ( 12.824 1.586 -0.708) 12.941 6.760 ( 0.827 8.644 0.728) 8.714 7.251 ( -4.861 -2.115 -1.656) 5.554 7.471 ( -3.784 8.705 2.101) 9.722 7.648 ( 0.797 12.543 -1.709) 12.684 7.963 ( -0.093 -10.452 -4.378) 11.332 8.027 ( 1.768 -4.753 -0.816) 5.136 8.758 ( 5.909 9.431 2.044) 11.315 9.203 ( 3.624 -4.307 0.514) 5.652 9.452 ( -5.117 1.980 -2.368) 5.976 9.632 ( 2.522 5.701 0.477) 6.252 9.792 ( -5.273 -5.495 -7.576) 10.743 10.278 ( 9.825 3.117 7.256) 12.606 10.560 ( -2.956 -8.366 2.111) 9.120 10.937 ( 7.265 7.145 -1.294) 10.272 11.510 ( 9.256 -2.671 -6.792) 11.787 11.613 ( -2.838 -8.217 5.595) 10.338 11.849 ( -7.405 5.934 4.928) 10.693 12.071 ( -12.599 1.785 1.394) 12.801 12.534 ( -8.695 1.871 0.075) 8.895 12.836 ( -2.170 -3.265 -2.329) 4.560 14.075 ( -1.641 9.611 0.646) 9.771 14.359 ( -8.800 1.336 5.956) 10.710 14.443 ( 0.838 8.432 2.567) 8.854 14.867 ( 11.756 12.644 -1.888) 17.367 15.007 ( -6.425 12.132 -2.645) 13.981 15.720 ( 10.185 -8.866 -0.416) 13.510 15.959 ( 3.196 -7.145 0.452) 7.841 16.158 ( 2.174 -5.310 -3.005) 6.477 20.174 ( -2.514 9.745 -0.406) 10.073 20.597 ( -6.053 4.002 -0.327) 7.264 22.173 ( -0.352 -3.627 -1.269) 3.859 22.513 ( -0.074 -5.407 -2.857) 6.116 ======================= Grid point 129 (61/160) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -7.343 13.199 -3.117) 15.422 1.904 ( -5.674 17.872 -1.989) 18.856 2.148 ( -7.472 -5.218 -7.283) 11.666 2.380 ( -0.192 -4.927 1.803) 5.250 2.581 ( 3.970 1.671 -7.424) 8.583 2.613 ( 0.552 -8.906 1.708) 9.085 2.658 ( 4.917 -10.772 0.368) 11.847 2.869 ( 5.007 4.434 0.113) 6.689 3.061 ( -0.050 -9.605 -1.686) 9.752 3.134 ( 1.720 -3.991 -1.086) 4.479 3.153 ( 4.106 -1.236 -15.338) 15.927 3.467 ( 7.361 -12.017 2.217) 14.266 3.839 ( -7.101 7.264 19.270) 21.784 3.892 ( 0.201 7.838 18.845) 20.411 4.181 ( -2.070 21.898 5.785) 22.744 4.416 ( 2.208 16.734 5.428) 17.730 4.592 ( -4.519 8.953 6.662) 12.040 4.828 ( 3.805 6.938 4.707) 9.207 4.932 ( -0.345 4.187 -2.501) 4.889 5.069 ( -9.481 5.431 2.440) 11.195 5.147 ( -1.135 3.743 3.657) 5.355 5.287 ( 1.498 -2.858 -2.177) 3.893 5.436 ( -0.264 -3.327 -4.988) 6.002 5.687 ( 3.056 -10.310 2.940) 11.148 5.840 ( -0.217 2.646 3.331) 4.259 5.950 ( 6.963 -0.827 -0.967) 7.078 6.105 ( -5.582 14.577 -3.629) 16.025 6.679 ( -2.175 -6.291 -5.358) 8.544 6.939 ( -1.256 5.691 0.912) 5.899 7.148 ( 7.177 -3.743 0.410) 8.105 7.624 ( 1.256 2.956 -0.838) 3.319 7.680 ( -3.012 -6.814 -2.521) 7.865 7.817 ( 3.930 1.395 1.355) 4.385 8.028 ( 1.061 3.898 -3.558) 5.383 8.927 ( -4.637 6.039 0.591) 7.636 9.186 ( -0.467 -5.055 3.191) 5.996 9.358 ( 1.825 0.221 0.962) 2.075 9.578 ( -0.640 -2.895 1.363) 3.263 9.897 ( 3.984 9.527 2.479) 10.620 10.296 ( -6.605 -7.074 0.512) 9.692 10.560 ( 2.520 8.619 -0.262) 8.984 11.057 ( -0.831 -0.175 -10.060) 10.096 11.344 ( 0.889 -7.450 -0.315) 7.510 11.576 ( 2.001 -8.195 -2.129) 8.700 11.967 ( -3.803 8.472 4.172) 10.181 12.067 ( -0.849 3.850 6.919) 7.963 12.492 ( 0.156 2.972 -1.990) 3.581 12.684 ( 0.720 -5.198 -3.866) 6.518 14.246 ( 1.478 3.991 8.839) 9.811 14.378 ( 0.388 -2.379 11.997) 12.237 14.834 ( -1.413 19.779 -1.180) 19.864 15.118 ( -0.489 13.674 -0.459) 13.690 15.332 ( -1.386 13.961 -6.071) 15.287 15.619 ( 3.678 -10.015 -0.361) 10.675 15.759 ( -2.027 -11.540 0.120) 11.718 15.983 ( 1.152 -9.421 -5.289) 10.866 20.468 ( 1.976 13.420 2.114) 13.728 20.628 ( -2.193 5.748 -0.989) 6.231 22.069 ( -0.159 -2.148 -3.653) 4.241 22.285 ( -0.004 -9.548 -6.386) 11.486 ======================= Grid point 130 (62/160) ======================= q-point: ( 0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -4.216 5.730 -2.058) 7.406 1.808 ( -7.294 3.603 -1.314) 8.240 1.967 ( -2.384 5.754 -0.998) 6.307 2.354 ( -2.806 1.823 -1.077) 3.515 2.546 ( 2.796 -9.918 -6.321) 12.089 2.626 ( 1.398 -1.725 -2.174) 3.108 2.756 ( 2.628 -8.996 1.173) 9.445 2.855 ( -0.830 -2.084 -4.513) 5.040 2.982 ( 1.957 -3.798 -12.218) 12.943 3.044 ( -0.429 -11.037 -4.410) 11.894 3.323 ( 8.256 2.061 5.799) 10.298 3.600 ( 3.233 -6.381 -6.628) 9.752 3.942 ( -8.273 10.009 19.973) 23.824 4.052 ( -6.360 3.445 14.027) 15.783 4.208 ( -1.791 13.122 11.190) 17.339 4.416 ( -14.678 19.252 8.186) 25.556 4.607 ( -2.360 6.138 6.015) 8.912 4.785 ( -4.572 10.140 0.577) 11.138 4.902 ( -6.972 7.123 3.161) 10.456 5.045 ( -5.929 0.427 9.240) 10.987 5.154 ( 2.672 4.231 -1.000) 5.103 5.298 ( 5.027 -4.721 -1.371) 7.032 5.393 ( 1.019 0.601 -2.043) 2.361 5.756 ( 1.145 -7.196 3.831) 8.233 5.853 ( -2.257 3.887 2.375) 5.083 6.012 ( -1.356 -5.541 0.773) 5.757 6.055 ( 6.293 9.733 -7.802) 13.971 6.542 ( -1.986 -8.271 -7.282) 11.197 6.954 ( 2.441 8.170 1.651) 8.686 7.347 ( 10.624 -3.610 0.549) 11.234 7.572 ( -1.657 5.254 -3.127) 6.335 7.652 ( -0.443 -6.373 0.373) 6.399 7.901 ( 3.456 -0.456 0.955) 3.614 8.013 ( 3.422 3.738 -4.975) 7.101 8.867 ( -1.543 7.635 1.871) 8.011 9.181 ( -2.166 -6.315 1.014) 6.752 9.461 ( 6.189 5.460 2.471) 8.615 9.633 ( 5.030 5.846 0.433) 7.724 9.942 ( -6.969 7.866 6.294) 12.250 10.180 ( -5.157 -3.567 -2.090) 6.610 10.570 ( 0.403 6.276 -0.907) 6.354 10.966 ( 3.062 -6.011 -5.076) 8.442 11.233 ( -10.228 -3.851 -3.468) 11.466 11.452 ( -10.341 -10.864 -3.863) 15.488 12.082 ( 7.923 6.642 6.133) 12.021 12.207 ( 6.357 0.493 5.774) 8.602 12.528 ( 6.560 2.835 -2.578) 7.597 12.678 ( 4.714 -3.451 -5.149) 7.787 14.449 ( 6.509 5.814 10.114) 13.359 14.605 ( -0.096 3.220 10.485) 10.969 14.676 ( -6.168 10.838 5.379) 13.581 15.053 ( -9.551 8.574 -2.392) 13.056 15.238 ( 1.845 7.846 -4.993) 9.481 15.547 ( -7.552 -1.364 -1.586) 7.836 15.727 ( -5.416 -12.587 0.525) 13.713 15.905 ( 0.231 -8.120 -8.756) 11.944 20.501 ( -2.904 9.428 3.148) 10.355 20.593 ( 0.043 5.752 -0.843) 5.814 22.033 ( 1.805 -2.049 -4.379) 5.161 22.222 ( 2.745 -8.148 -7.788) 11.601 ======================= Grid point 131 (63/160) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 2.565 -2.767 8.832) 9.604 1.731 ( 3.113 -1.258 2.814) 4.381 2.022 ( 3.725 8.484 5.497) 10.774 2.269 ( -3.388 5.384 -3.830) 7.425 2.509 ( -1.978 -11.192 -2.826) 11.711 2.579 ( 0.734 -2.786 -7.464) 8.001 2.763 ( 2.788 -2.346 -5.789) 6.840 2.787 ( -3.914 -3.152 -1.970) 5.398 2.945 ( 3.139 -6.247 -9.401) 11.716 2.997 ( 0.677 -6.358 2.784) 6.974 3.303 ( -8.547 3.718 -6.275) 11.237 3.504 ( -1.766 -5.570 -5.301) 7.890 3.897 ( -11.792 7.075 5.221) 14.709 4.088 ( -14.786 8.703 9.561) 19.641 4.222 ( -7.622 9.644 14.589) 19.078 4.452 ( 3.405 -3.634 9.520) 10.744 4.605 ( -2.944 4.024 7.320) 8.857 4.715 ( -6.553 10.868 -0.894) 12.723 4.798 ( -8.600 3.793 2.150) 9.642 4.981 ( -13.253 -3.349 8.227) 15.955 5.182 ( 2.340 7.010 -2.548) 7.817 5.346 ( 1.343 -2.418 -2.009) 3.419 5.497 ( 7.011 1.923 3.571) 8.100 5.825 ( 1.856 2.822 5.835) 6.742 5.884 ( 0.449 -6.579 0.016) 6.595 5.964 ( -1.575 -1.604 1.837) 2.903 6.087 ( 7.180 4.168 -3.253) 8.917 6.436 ( 1.447 -8.859 -11.124) 14.294 7.038 ( 2.780 9.788 2.492) 10.476 7.454 ( 0.061 -5.299 2.146) 5.717 7.525 ( 0.335 9.251 -3.393) 9.859 7.688 ( 6.534 -3.091 -1.781) 7.445 7.928 ( -1.255 1.233 -0.847) 1.953 8.045 ( 6.049 0.305 -3.093) 6.801 8.954 ( 6.061 6.837 5.592) 10.712 9.167 ( -0.544 -2.086 1.335) 2.536 9.586 ( 3.806 9.097 0.242) 9.864 9.698 ( 3.685 10.355 -5.590) 12.331 9.870 ( -7.895 1.855 8.637) 11.848 10.028 ( -3.750 -0.011 -6.323) 7.352 10.604 ( -0.905 5.460 3.552) 6.576 10.927 ( -5.325 -1.892 -9.414) 10.980 11.070 ( -1.988 -5.847 6.635) 9.064 11.215 ( -9.193 -13.364 -4.921) 16.951 12.291 ( 7.210 2.351 4.675) 8.908 12.378 ( 5.792 -1.299 4.061) 7.192 12.634 ( 8.453 2.006 -1.653) 8.844 12.715 ( 6.796 -1.130 -5.397) 8.751 14.368 ( -12.246 11.283 -1.985) 16.769 14.630 ( -5.848 8.847 3.775) 11.257 14.890 ( -2.844 -4.412 4.803) 7.115 14.963 ( 5.308 -3.945 10.841) 12.699 15.198 ( -3.024 2.168 2.974) 4.764 15.425 ( -1.006 5.047 -3.748) 6.366 15.571 ( -11.573 -10.032 1.342) 15.374 15.804 ( 2.912 -5.715 -12.565) 14.107 20.454 ( -3.977 4.131 0.124) 5.736 20.581 ( -3.916 0.086 2.846) 4.841 22.033 ( 3.819 -0.072 -3.618) 5.261 22.191 ( 3.203 -5.387 -6.079) 8.731 ======================= Grid point 132 (64/160) ======================= q-point: ( 0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 1.719 0.203 9.395) 9.553 2.019 ( 12.965 -6.369 8.893) 16.963 2.180 ( 0.231 6.874 -2.906) 7.466 2.193 ( 7.001 4.609 6.566) 10.648 2.409 ( -3.903 -2.173 -3.713) 5.809 2.500 ( -0.590 -3.961 -5.966) 7.185 2.620 ( -6.661 0.238 -7.331) 9.908 2.743 ( -0.808 3.557 -4.732) 5.975 2.855 ( 5.891 -4.530 -9.690) 12.211 3.119 ( -0.557 -4.259 5.665) 7.109 3.147 ( -1.849 -2.806 2.687) 4.303 3.386 ( -4.969 -5.952 -2.169) 8.051 3.768 ( -8.879 0.615 2.499) 9.244 3.820 ( -18.705 8.894 2.102) 20.818 4.300 ( -9.978 -6.597 9.771) 15.446 4.375 ( -16.212 -16.188 -2.469) 23.043 4.587 ( -2.132 10.868 -1.452) 11.170 4.659 ( -4.057 5.763 2.916) 7.627 4.704 ( -2.342 -2.930 0.516) 3.787 4.895 ( -3.628 3.199 3.751) 6.120 5.229 ( 4.328 2.951 3.332) 6.208 5.315 ( -1.424 -1.046 -1.115) 2.089 5.597 ( 2.550 -0.046 0.345) 2.574 5.751 ( -4.754 -4.487 -4.341) 7.847 5.989 ( 8.869 5.615 -3.421) 11.040 6.080 ( 4.797 4.172 6.793) 9.304 6.254 ( 5.173 -1.092 6.313) 8.234 6.312 ( 2.417 -2.441 -9.105) 9.732 7.067 ( -1.755 8.471 0.406) 8.661 7.439 ( -1.516 4.525 -2.438) 5.359 7.500 ( -1.563 -2.309 2.244) 3.579 7.800 ( 5.220 -5.741 -6.708) 10.257 7.857 ( -0.423 8.375 0.640) 8.410 8.117 ( 4.459 0.797 -1.129) 4.668 9.129 ( 2.105 1.540 4.183) 4.930 9.201 ( 1.421 -1.415 2.690) 3.356 9.496 ( 0.252 11.138 -5.325) 12.348 9.734 ( 2.835 7.502 -0.660) 8.047 9.914 ( -2.739 -1.913 8.620) 9.245 9.976 ( 6.444 0.341 -6.025) 8.828 10.498 ( -9.426 4.656 -2.684) 10.851 10.769 ( -7.839 6.392 0.296) 10.119 11.082 ( 0.740 -11.358 -2.790) 11.719 11.152 ( 0.782 -7.542 4.169) 8.653 12.405 ( 2.251 -0.272 0.616) 2.349 12.493 ( 1.491 -3.071 4.739) 5.841 12.769 ( 7.228 1.289 0.319) 7.349 12.783 ( 7.736 0.676 -3.578) 8.550 14.182 ( -6.747 4.528 -1.200) 8.213 14.456 ( -10.547 -2.640 -0.930) 10.912 14.802 ( -12.394 -6.815 1.051) 14.183 15.012 ( -8.524 -8.806 1.849) 12.394 15.309 ( 2.876 2.911 5.087) 6.528 15.449 ( 5.080 3.751 4.254) 7.614 15.501 ( 3.946 0.580 -0.705) 4.050 15.722 ( 4.204 -3.541 -9.372) 10.865 20.377 ( -4.111 -0.779 -1.266) 4.371 20.521 ( -6.553 -6.267 2.687) 9.457 22.076 ( 4.110 1.400 -0.753) 4.407 22.185 ( 1.800 -2.746 -2.178) 3.940 ======================= Grid point 133 (65/160) ======================= q-point: ( 0.40 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 3.898 4.488 6.171) 8.568 2.051 ( -2.927 1.702 -5.719) 6.647 2.276 ( 1.495 3.260 -5.043) 6.188 2.367 ( 3.911 0.606 -2.457) 4.659 2.417 ( 4.906 5.845 3.295) 8.312 2.436 ( 1.693 -2.442 -0.804) 3.078 2.531 ( 8.256 -0.209 1.770) 8.446 2.691 ( -2.558 3.888 2.505) 5.285 2.884 ( 6.354 -5.096 -6.590) 10.478 2.997 ( -12.342 7.370 4.297) 15.003 3.275 ( 1.921 -10.793 1.923) 11.130 3.334 ( -2.264 -7.125 3.051) 8.074 3.568 ( -8.841 0.625 0.217) 8.866 3.653 ( -4.871 -8.091 -2.228) 9.704 4.013 ( -14.907 -22.214 -6.283) 27.480 4.069 ( -17.761 -14.530 -0.859) 22.963 4.518 ( 0.209 6.433 -6.803) 9.365 4.635 ( -5.150 -0.851 1.571) 5.451 4.753 ( 2.834 7.798 6.299) 10.417 4.880 ( 0.783 6.642 -1.747) 6.912 5.249 ( -0.958 2.581 -1.176) 2.993 5.393 ( 1.851 -4.932 6.567) 8.419 5.628 ( -0.270 -1.721 1.008) 2.013 5.693 ( 2.878 -1.354 -1.440) 3.492 6.039 ( 1.786 2.499 -16.182) 16.471 6.055 ( 6.443 2.800 -7.944) 10.605 6.331 ( 2.340 5.212 6.591) 8.722 6.465 ( 1.637 0.321 7.944) 8.117 7.000 ( -2.802 9.709 -3.300) 10.631 7.387 ( 0.098 10.564 -1.204) 10.633 7.501 ( -2.148 -12.739 -1.738) 13.035 7.667 ( -4.770 1.035 -0.668) 4.926 7.975 ( 7.957 3.751 -2.590) 9.170 8.152 ( 1.039 2.246 -1.391) 2.839 9.074 ( -4.102 1.953 -1.572) 4.808 9.242 ( 0.889 -5.380 -1.074) 5.557 9.636 ( 7.887 6.292 6.680) 12.100 9.742 ( 0.740 4.769 -0.110) 4.827 9.952 ( -0.205 -5.676 4.563) 7.286 10.040 ( 0.775 -4.242 0.626) 4.358 10.373 ( 1.022 12.452 -2.906) 12.828 10.623 ( -8.184 8.186 -0.249) 11.578 11.095 ( 0.051 -6.260 -0.092) 6.261 11.190 ( 0.931 -6.681 0.459) 6.761 12.418 ( 0.413 -1.523 -0.308) 1.607 12.537 ( -3.142 -5.537 4.979) 8.082 12.855 ( 4.989 2.092 -1.540) 5.625 12.899 ( 4.829 0.250 1.657) 5.111 14.108 ( -1.139 -1.500 0.048) 1.884 14.315 ( -4.374 -10.097 -0.684) 11.025 14.626 ( -7.298 -4.941 0.509) 8.828 14.791 ( -14.640 -12.793 0.629) 19.452 15.381 ( 6.151 5.825 -7.052) 11.023 15.509 ( 2.061 0.559 -9.271) 9.514 15.629 ( 7.859 5.447 5.913) 11.243 15.773 ( 1.605 -0.951 6.145) 6.422 20.294 ( -2.670 -4.849 -2.190) 5.953 20.431 ( -5.328 -10.175 -0.300) 11.490 22.152 ( 2.871 1.367 3.217) 4.523 22.203 ( 0.260 -0.752 2.316) 2.449 ======================= Grid point 134 (66/160) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -6.586 6.163 -5.522) 10.575 2.079 ( 5.931 6.089 -0.865) 8.544 2.232 ( -0.498 -0.608 -7.091) 7.134 2.273 ( 0.729 -4.414 -8.884) 9.947 2.461 ( 1.515 1.606 0.133) 2.212 2.567 ( -1.684 5.202 6.729) 8.670 2.665 ( 3.984 8.752 0.509) 9.630 2.771 ( 3.720 3.101 6.023) 7.729 2.803 ( -8.526 0.507 5.172) 9.985 2.979 ( 6.241 -1.799 -4.503) 7.903 3.175 ( -6.839 -6.079 -4.852) 10.357 3.326 ( 0.014 -4.154 0.093) 4.155 3.505 ( -2.501 -15.343 -2.299) 15.714 3.561 ( -0.318 -11.111 -4.594) 12.027 3.819 ( -0.297 -16.067 -2.916) 16.333 3.931 ( 5.351 -20.236 0.105) 20.932 4.432 ( -1.774 3.531 -5.408) 6.698 4.528 ( -2.731 -1.609 -6.127) 6.898 4.830 ( -2.473 8.599 5.967) 10.755 4.933 ( 2.828 8.391 4.016) 9.723 5.248 ( 1.117 2.071 1.040) 2.573 5.447 ( -2.481 -5.938 4.271) 7.723 5.611 ( -1.146 0.673 -4.197) 4.402 5.736 ( 2.591 -2.891 -3.974) 5.555 5.878 ( 1.575 7.120 -8.771) 11.406 6.069 ( 2.516 0.406 -5.764) 6.302 6.368 ( -1.852 5.861 -0.556) 6.171 6.499 ( -2.935 0.717 2.516) 3.931 6.959 ( 2.176 5.795 -1.862) 6.464 7.340 ( -2.956 -10.035 -10.300) 14.681 7.450 ( 3.380 10.589 4.180) 11.876 7.713 ( 2.730 -0.261 6.080) 6.670 8.022 ( 2.876 1.685 -6.082) 6.935 8.120 ( -1.491 2.308 -2.101) 3.459 9.040 ( 1.245 0.307 -0.883) 1.557 9.196 ( -1.003 -4.415 -4.765) 6.573 9.719 ( -2.144 6.548 4.032) 7.983 9.817 ( -1.160 4.619 3.015) 5.637 9.999 ( -6.327 -6.480 7.220) 11.582 10.069 ( 5.740 -7.433 4.260) 10.312 10.444 ( 8.510 11.734 -1.733) 14.598 10.500 ( -5.504 11.019 -0.338) 12.321 11.057 ( -3.024 -2.869 -0.626) 4.215 11.207 ( 1.638 -7.313 -1.465) 7.636 12.438 ( 1.485 -2.693 0.925) 3.211 12.515 ( -4.578 -5.395 2.944) 7.664 12.899 ( 0.502 1.994 0.751) 2.190 12.967 ( 0.403 -0.558 2.012) 2.127 14.127 ( 0.756 -4.808 2.093) 5.298 14.282 ( 0.989 -11.303 -0.179) 11.347 14.593 ( -1.456 -7.867 0.165) 8.002 14.614 ( 0.235 -7.960 -0.394) 7.973 15.347 ( 0.904 3.867 -9.233) 10.051 15.390 ( -2.248 1.937 -9.857) 10.294 15.804 ( -0.305 4.315 6.714) 7.987 15.850 ( 2.137 1.952 5.545) 6.255 20.254 ( 1.653 -7.526 -2.245) 8.025 20.343 ( -1.869 -10.992 -3.530) 11.696 22.231 ( -1.267 1.081 6.002) 6.229 22.259 ( 1.449 0.062 5.609) 5.793 ======================= Grid point 135 (67/160) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -5.237 6.037 -3.603) 8.767 2.045 ( -6.553 -1.784 -6.037) 9.087 2.134 ( 2.074 2.676 -5.768) 6.688 2.193 ( -1.475 -5.050 -5.349) 7.503 2.474 ( -2.695 0.030 3.439) 4.370 2.544 ( -1.253 -0.302 1.148) 1.726 2.701 ( 3.568 -0.766 -2.463) 4.403 2.815 ( 0.974 5.257 6.055) 8.078 2.970 ( 9.666 7.711 5.672) 13.604 3.013 ( -2.509 -7.096 -6.556) 9.981 3.044 ( 7.660 0.964 -3.148) 8.337 3.378 ( 4.334 -8.036 0.360) 9.137 3.444 ( 3.990 -5.410 -4.330) 7.996 3.600 ( 6.906 -6.038 -0.590) 9.193 3.899 ( 7.025 -9.591 -5.461) 13.082 4.028 ( 11.661 -20.651 -6.644) 24.629 4.273 ( -7.541 4.736 -7.655) 11.743 4.534 ( 6.410 -4.637 1.987) 8.157 4.837 ( -4.877 8.566 4.296) 10.753 5.006 ( -2.661 6.840 7.633) 10.589 5.267 ( -2.340 2.075 2.184) 3.815 5.447 ( -0.770 -1.831 -1.524) 2.503 5.477 ( 0.801 -0.187 -11.719) 11.748 5.650 ( -1.370 -2.017 -7.185) 7.587 5.919 ( 1.020 2.588 6.061) 6.669 6.005 ( -2.790 1.209 -2.300) 3.813 6.329 ( -1.934 5.363 0.093) 5.702 6.474 ( 1.105 1.096 -3.129) 3.495 6.987 ( 1.582 0.600 -1.514) 2.270 7.226 ( 4.271 -6.900 -8.080) 11.451 7.562 ( 2.416 10.202 4.195) 11.292 7.841 ( 3.748 1.851 4.496) 6.139 7.916 ( -4.124 0.738 -7.499) 8.589 8.091 ( 1.028 0.941 -2.667) 3.009 9.032 ( 0.048 -0.280 -3.754) 3.764 9.143 ( 0.751 -3.090 -4.053) 5.151 9.719 ( -4.846 4.658 6.644) 9.451 9.748 ( -5.341 8.045 -0.603) 9.675 9.985 ( -6.278 -1.796 6.661) 9.328 10.193 ( 1.451 -6.944 3.057) 7.725 10.423 ( -1.373 13.474 -0.923) 13.576 10.627 ( 11.884 3.742 2.068) 12.630 11.008 ( -1.517 -1.210 -0.247) 1.956 11.215 ( 0.921 -8.894 -0.437) 8.953 12.447 ( -3.921 -1.621 0.136) 4.245 12.482 ( -0.656 -2.532 1.851) 3.204 12.890 ( -3.770 1.207 2.426) 4.643 12.961 ( -3.516 -1.604 1.705) 4.224 14.159 ( 0.844 -1.575 1.673) 2.448 14.340 ( 5.402 -8.489 0.045) 10.063 14.605 ( 6.957 -4.908 -0.396) 8.524 14.780 ( 13.442 -12.553 0.255) 18.393 15.180 ( -7.659 2.863 -7.875) 11.353 15.213 ( -4.713 0.748 -8.690) 9.914 15.773 ( -7.517 8.492 3.684) 11.924 15.983 ( 3.127 -0.680 5.181) 6.090 20.290 ( 2.443 -7.800 -3.185) 8.772 20.313 ( 6.483 -8.794 -2.256) 11.156 22.262 ( -3.530 2.263 6.081) 7.386 22.353 ( 0.388 -1.442 6.483) 6.653 ======================= Grid point 136 (68/160) ======================= q-point: (-0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.963 10.313 -0.780) 10.387 1.896 ( -7.414 1.934 1.323) 7.775 2.047 ( -4.107 -2.494 3.572) 5.987 2.177 ( 5.892 -3.642 -6.488) 9.491 2.485 ( 2.320 -1.775 2.431) 3.800 2.650 ( 7.853 -8.588 1.264) 11.705 2.738 ( -1.060 -5.375 -2.527) 6.033 2.812 ( 2.287 -4.506 -5.095) 7.176 2.990 ( 1.192 4.924 8.122) 9.573 3.109 ( 8.795 4.081 -6.482) 11.663 3.311 ( 13.915 4.513 5.388) 15.589 3.429 ( 5.513 -4.691 -6.161) 9.506 3.568 ( 12.503 4.961 1.892) 13.584 3.696 ( 0.995 -6.154 -4.912) 7.937 3.823 ( -0.658 -5.748 -5.540) 8.010 4.041 ( -3.619 11.807 -7.561) 14.480 4.265 ( 18.636 -10.371 -5.824) 22.108 4.661 ( 0.410 -1.966 5.008) 5.396 4.758 ( -4.288 9.083 -0.987) 10.093 4.995 ( -9.347 -0.881 8.854) 12.905 5.258 ( 1.810 2.475 -5.379) 6.192 5.375 ( 5.144 2.239 -1.771) 5.883 5.450 ( -0.839 -5.850 -3.625) 6.934 5.574 ( -2.927 -2.089 0.111) 3.598 5.905 ( -3.365 3.773 -0.781) 5.116 6.026 ( -0.768 -0.921 4.260) 4.425 6.281 ( -1.929 4.511 -1.195) 5.050 6.474 ( 3.397 -2.640 -3.577) 5.595 6.977 ( 1.225 5.253 -2.229) 5.836 7.274 ( 6.124 -2.443 -2.479) 7.043 7.614 ( -0.416 6.063 1.626) 6.291 7.762 ( -3.481 0.545 -5.525) 6.553 7.930 ( 1.429 1.980 2.331) 3.376 8.072 ( 0.860 0.004 -3.350) 3.459 8.963 ( -3.729 3.207 -2.820) 5.669 9.091 ( -0.376 -3.329 -3.153) 4.600 9.659 ( -3.965 6.734 -1.062) 7.887 9.714 ( -4.814 1.671 4.689) 6.925 9.937 ( -6.122 2.718 4.386) 8.006 10.214 ( -1.685 -6.675 3.216) 7.599 10.426 ( 3.923 15.385 -3.088) 16.174 10.856 ( 10.950 1.603 -0.351) 11.072 11.034 ( 4.460 -2.882 3.469) 6.343 11.237 ( 1.153 -11.368 1.480) 11.522 12.351 ( -7.053 3.292 -0.372) 7.792 12.456 ( -6.039 -0.252 2.079) 6.392 12.824 ( -7.006 0.328 1.899) 7.267 12.901 ( -4.560 -2.951 0.589) 5.463 14.223 ( 6.100 5.763 -0.550) 8.410 14.476 ( 9.721 1.048 0.860) 9.816 14.713 ( 0.920 -5.712 -3.979) 7.022 14.861 ( -9.805 -2.284 -2.781) 10.444 15.009 ( 4.702 -3.288 -2.266) 6.168 15.202 ( 16.417 -12.516 -2.386) 20.781 15.663 ( -8.509 13.624 1.579) 16.141 16.064 ( 0.339 -4.100 3.291) 5.269 20.306 ( 4.613 -1.861 -3.319) 5.980 20.450 ( 8.693 -7.499 0.874) 11.514 22.250 ( -4.981 2.904 4.170) 7.116 22.414 ( -1.315 -3.566 4.623) 5.985 ======================= Grid point 137 (69/160) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 6.111 15.653 7.244) 18.299 1.834 ( -2.953 12.840 3.080) 13.530 2.118 ( 2.629 -7.900 7.998) 11.545 2.237 ( 5.406 -7.660 0.111) 9.376 2.564 ( 3.701 -3.477 -1.125) 5.201 2.620 ( -3.093 -1.845 -3.749) 5.198 2.776 ( 2.807 -12.470 -0.045) 12.783 2.842 ( 5.108 -5.500 -4.797) 8.908 3.063 ( 3.778 5.081 -7.375) 9.721 3.227 ( 5.903 4.750 5.218) 9.199 3.355 ( -9.245 0.462 -1.968) 9.463 3.437 ( -1.162 -1.420 -2.503) 3.103 3.573 ( 3.788 -5.341 -7.246) 9.766 3.782 ( -0.426 -10.536 -2.820) 10.915 3.918 ( 21.132 16.963 3.187) 27.285 4.033 ( 2.570 23.575 3.880) 24.030 4.474 ( 9.441 3.291 -3.635) 10.639 4.632 ( 0.757 7.254 -0.627) 7.321 4.810 ( 4.258 0.997 6.503) 7.837 4.967 ( -2.961 -0.358 5.323) 6.102 5.247 ( 1.049 -3.125 -3.716) 4.968 5.356 ( -4.804 -4.976 0.505) 6.935 5.455 ( 0.701 0.585 1.348) 1.628 5.544 ( 1.990 -5.652 -2.602) 6.532 5.837 ( -2.799 3.737 -1.562) 4.923 5.991 ( -3.200 -3.821 -2.937) 5.785 6.297 ( 2.093 6.531 3.788) 7.835 6.501 ( 3.283 -2.003 -1.761) 4.229 6.969 ( -1.017 11.217 -0.578) 11.278 7.316 ( 1.402 0.254 -2.570) 2.939 7.623 ( 1.580 -2.542 0.275) 3.005 7.656 ( -4.095 0.224 -2.491) 4.798 7.935 ( -2.719 1.488 -0.210) 3.107 8.053 ( 1.845 1.116 -3.082) 3.761 8.883 ( -2.238 6.815 1.353) 7.299 9.086 ( 1.750 -3.423 -0.453) 3.871 9.563 ( -7.083 1.235 -0.357) 7.199 9.654 ( -5.712 -1.236 2.064) 6.198 9.894 ( -2.533 4.577 0.423) 5.248 10.228 ( 0.346 -6.612 2.006) 6.918 10.484 ( 5.590 14.342 -1.966) 15.518 10.983 ( 7.054 6.170 0.038) 9.371 11.222 ( 11.429 -10.517 -3.666) 15.959 11.304 ( 3.578 -9.559 6.048) 11.864 12.194 ( -11.166 7.545 0.762) 13.498 12.324 ( -11.537 1.969 1.971) 11.868 12.703 ( -8.296 0.589 0.589) 8.337 12.826 ( -4.237 -4.456 -0.670) 6.185 14.310 ( 2.870 9.564 -4.537) 10.968 14.519 ( -9.146 0.851 -0.430) 9.195 14.569 ( -5.587 4.804 1.970) 7.627 14.831 ( 15.619 4.510 -0.297) 16.260 15.225 ( 14.937 -11.051 0.551) 18.589 15.487 ( 8.789 -3.614 -3.354) 10.077 15.551 ( 1.356 6.330 2.525) 6.948 16.071 ( -1.908 -6.773 0.112) 7.038 20.357 ( 4.361 5.628 -1.676) 7.314 20.595 ( 5.541 -4.272 1.655) 7.190 22.196 ( -4.844 2.138 1.217) 5.433 22.415 ( -2.498 -6.106 1.160) 6.698 ======================= Grid point 138 (70/160) ======================= q-point: (-0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -1.306 17.413 2.331) 17.617 1.930 ( 5.680 17.989 7.586) 20.332 2.254 ( 2.048 -6.976 1.715) 7.470 2.329 ( 2.463 -8.449 2.068) 9.040 2.529 ( 0.822 -9.310 -1.345) 9.442 2.599 ( 1.991 3.492 -3.686) 5.453 2.698 ( -3.073 -8.351 -8.281) 12.156 2.846 ( -0.134 0.829 -1.148) 1.422 3.047 ( 3.432 -7.361 -1.582) 8.274 3.184 ( -0.638 7.125 -6.574) 9.715 3.243 ( 1.518 -11.434 -11.656) 16.398 3.491 ( -3.431 -4.363 -5.760) 7.999 3.594 ( 2.526 4.326 20.482) 21.086 3.782 ( -2.329 -0.912 7.560) 7.963 4.105 ( 1.918 23.790 4.305) 24.252 4.273 ( 11.391 17.905 3.048) 21.439 4.551 ( 0.595 10.365 5.992) 11.988 4.696 ( 4.804 7.760 0.432) 9.137 4.955 ( 1.311 -0.418 1.410) 1.970 5.019 ( 4.387 4.475 3.590) 7.222 5.237 ( 0.311 0.194 0.772) 0.855 5.250 ( -5.107 1.102 0.020) 5.225 5.499 ( -0.689 -2.721 -2.026) 3.462 5.568 ( 6.170 -15.246 0.577) 16.457 5.804 ( 0.168 3.437 0.837) 3.542 5.914 ( 0.485 -1.847 -3.916) 4.356 6.281 ( -9.866 11.558 1.367) 15.258 6.614 ( 11.146 -3.066 -0.770) 11.585 6.939 ( -1.632 8.848 0.767) 9.030 7.222 ( -7.428 -1.773 -3.988) 8.615 7.597 ( 1.253 0.349 -1.357) 1.879 7.684 ( 3.487 -4.969 1.377) 6.225 7.840 ( -5.225 2.170 -2.411) 6.150 8.049 ( 1.175 2.190 -2.728) 3.691 8.926 ( 1.307 6.778 3.908) 7.932 9.131 ( 2.070 -2.815 2.208) 4.133 9.415 ( -7.790 -1.974 -0.577) 8.057 9.600 ( -3.547 -6.641 2.199) 7.844 9.852 ( 0.737 8.662 -3.067) 9.218 10.303 ( 2.532 -9.655 3.839) 10.695 10.529 ( 2.378 13.867 -1.852) 14.191 11.110 ( 6.200 8.848 -2.429) 11.073 11.282 ( 5.267 -15.752 -3.938) 17.070 11.484 ( 8.119 -6.767 1.340) 10.654 12.030 ( -9.103 9.387 3.570) 13.555 12.140 ( -12.116 3.657 2.936) 12.992 12.570 ( -6.555 1.796 -0.707) 6.834 12.743 ( -3.028 -5.452 -2.220) 6.620 14.219 ( -5.706 4.556 2.035) 7.580 14.348 ( -8.366 -1.972 4.477) 9.691 14.711 ( 11.265 16.417 1.489) 19.966 15.098 ( 9.512 12.135 0.375) 15.423 15.376 ( -1.963 15.329 -1.332) 15.512 15.477 ( 11.538 -11.191 -2.513) 16.269 15.747 ( 6.025 -12.042 1.346) 13.532 16.018 ( -0.641 -8.630 -3.506) 9.337 20.410 ( 3.186 11.723 -0.123) 12.149 20.657 ( -0.081 1.072 0.730) 1.300 22.125 ( -2.684 -0.106 -1.731) 3.195 22.362 ( -2.194 -8.533 -2.839) 9.257 ======================= Grid point 139 (71/160) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -9.075 -7.699 -9.072) 14.965 2.002 ( -9.075 7.699 -9.072) 14.965 2.258 ( -3.242 -14.207 -3.535) 14.995 2.258 ( -3.242 14.207 -3.535) 14.995 2.451 ( 4.833 -5.682 5.347) 9.178 2.451 ( 4.833 5.682 5.347) 9.178 2.778 ( 1.822 -11.430 -3.476) 12.085 2.778 ( 1.822 11.430 -3.476) 12.085 3.017 ( 4.259 -5.626 -7.147) 10.044 3.017 ( 4.259 5.626 -7.147) 10.044 3.248 ( 4.820 -7.605 -1.703) 9.163 3.248 ( 4.820 7.605 -1.703) 9.163 3.925 ( -3.644 -2.224 20.344) 20.787 3.925 ( -3.644 2.224 20.344) 20.787 4.596 ( -4.257 -9.554 4.355) 11.330 4.596 ( -4.257 9.554 4.355) 11.330 4.752 ( 3.077 -12.806 5.898) 14.431 4.752 ( 3.077 12.806 5.898) 14.431 5.132 ( 0.468 -9.964 -0.827) 10.009 5.132 ( 0.468 9.964 -0.827) 10.009 5.176 ( -6.430 -3.577 1.626) 7.535 5.176 ( -6.430 3.577 1.626) 7.535 5.440 ( 4.373 -8.324 1.199) 9.478 5.440 ( 4.373 8.324 1.199) 9.478 5.897 ( 0.622 -2.309 2.003) 3.119 5.897 ( 0.622 2.309 2.003) 3.119 6.453 ( -1.909 -14.692 -6.461) 16.163 6.453 ( -1.909 14.692 -6.461) 16.163 7.056 ( 2.645 -5.131 -0.362) 5.784 7.056 ( 2.645 5.131 -0.362) 5.784 7.594 ( 0.414 -1.619 -1.101) 2.001 7.594 ( 0.414 1.619 -1.101) 2.001 7.980 ( 2.404 -7.920 -2.706) 8.708 7.980 ( 2.404 7.920 -2.706) 8.708 9.060 ( -3.724 -6.541 1.645) 7.704 9.060 ( -3.724 6.541 1.645) 7.704 9.449 ( 1.316 -7.251 6.585) 9.883 9.449 ( 1.316 7.251 6.585) 9.883 10.107 ( 0.071 -10.098 2.840) 10.490 10.107 ( 0.071 10.098 2.840) 10.490 10.849 ( 0.070 -15.800 -8.419) 17.903 10.849 ( 0.070 15.800 -8.419) 17.903 11.389 ( 0.709 -8.313 -1.955) 8.569 11.389 ( 0.709 8.313 -1.955) 8.569 12.092 ( -2.490 -2.366 4.445) 5.618 12.092 ( -2.490 2.366 4.445) 5.618 12.572 ( 0.923 -4.906 -2.616) 5.635 12.572 ( 0.923 4.906 -2.616) 5.635 14.318 ( 0.815 -3.166 10.621) 11.113 14.318 ( 0.815 3.166 10.621) 11.113 15.232 ( -2.799 -17.136 -3.126) 17.642 15.232 ( -2.799 17.136 -3.126) 17.642 15.431 ( 1.325 -14.511 0.306) 14.574 15.431 ( 1.325 14.511 0.306) 14.574 15.752 ( 1.232 -12.055 -3.919) 12.736 15.752 ( 1.232 12.055 -3.919) 12.736 20.663 ( -0.137 -3.740 1.365) 3.983 20.663 ( -0.137 3.740 1.365) 3.983 22.105 ( -0.104 -6.022 -5.539) 8.183 22.105 ( -0.104 6.022 -5.539) 8.183 ======================= Grid point 141 (72/160) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -7.518 -6.403 -6.343) 11.737 1.729 ( -7.518 6.403 -6.343) 11.737 2.210 ( -1.224 -13.959 0.542) 14.023 2.210 ( -1.224 13.959 0.542) 14.023 2.527 ( 0.315 -8.432 -0.206) 8.440 2.527 ( 0.315 8.432 -0.206) 8.440 2.770 ( 1.995 -9.094 -3.320) 9.885 2.770 ( 1.995 9.094 -3.320) 9.885 2.912 ( 1.341 -1.870 -9.972) 10.234 2.912 ( 1.341 1.870 -9.972) 10.234 3.438 ( 7.717 -7.675 1.257) 10.956 3.438 ( 7.717 7.675 1.257) 10.956 4.036 ( -7.596 -2.467 15.363) 17.315 4.036 ( -7.596 2.467 15.363) 17.315 4.503 ( -10.091 -9.471 3.800) 14.352 4.503 ( -10.091 9.471 3.800) 14.352 4.875 ( -9.116 -14.290 12.587) 21.112 4.875 ( -9.116 14.290 12.587) 21.112 4.981 ( -7.617 -5.275 2.188) 9.520 4.981 ( -7.617 5.275 2.188) 9.520 5.218 ( 5.766 -3.135 -1.361) 6.703 5.218 ( 5.766 3.135 -1.361) 6.703 5.499 ( 1.215 -11.828 2.832) 12.223 5.499 ( 1.215 11.828 2.832) 12.223 5.922 ( -0.822 -2.720 2.254) 3.627 5.922 ( -0.822 2.720 2.254) 3.627 6.319 ( -0.618 -12.248 -9.791) 15.692 6.319 ( -0.618 12.248 -9.791) 15.692 7.172 ( 7.546 -11.253 0.783) 13.572 7.172 ( 7.546 11.253 0.783) 13.572 7.595 ( 2.665 -1.838 -1.929) 3.769 7.595 ( 2.665 1.838 -1.929) 3.769 7.988 ( 2.265 -5.377 -2.975) 6.549 7.988 ( 2.265 5.377 -2.975) 6.549 9.029 ( -1.452 -7.817 2.741) 8.410 9.029 ( -1.452 7.817 2.741) 8.410 9.599 ( 5.166 -6.447 6.939) 10.789 9.599 ( 5.166 6.447 6.939) 10.789 10.097 ( -6.053 -5.552 2.189) 8.501 10.097 ( -6.053 5.552 2.189) 8.501 10.775 ( 4.588 -11.515 -7.591) 14.535 10.775 ( 4.588 11.515 -7.591) 14.535 11.258 ( -11.300 -6.393 -3.203) 13.372 11.258 ( -11.300 6.393 -3.203) 13.372 12.187 ( 5.949 -2.918 4.316) 7.908 12.187 ( 5.949 2.918 4.316) 7.908 12.598 ( 5.705 -3.825 -3.152) 7.557 12.598 ( 5.705 3.825 -3.152) 7.557 14.550 ( 7.517 -4.046 14.052) 16.442 14.550 ( 7.517 4.046 14.052) 16.442 14.989 ( -16.519 -13.408 -3.333) 21.535 14.989 ( -16.519 13.408 -3.333) 21.535 15.432 ( -4.891 -13.405 0.448) 14.276 15.432 ( -4.891 13.405 0.448) 14.276 15.704 ( 1.257 -10.597 -6.690) 12.595 15.704 ( 1.257 10.597 -6.690) 12.595 20.637 ( -5.104 -2.432 1.923) 5.972 20.637 ( -5.104 2.432 1.923) 5.972 22.067 ( 4.169 -5.355 -6.625) 9.484 22.067 ( 4.169 5.355 -6.625) 9.484 ======================= Grid point 143 (73/160) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 2.362 -3.013 4.359) 5.802 1.671 ( 2.362 3.013 4.359) 5.802 2.223 ( 0.570 -10.771 2.494) 11.071 2.223 ( 0.570 10.771 2.494) 11.071 2.475 ( -2.226 -8.041 -4.029) 9.265 2.475 ( -2.226 8.041 -4.029) 9.265 2.734 ( 2.435 -3.858 -8.519) 9.664 2.734 ( 2.435 3.858 -8.519) 9.664 2.902 ( 2.418 -2.272 0.328) 3.335 2.902 ( 2.418 2.272 0.328) 3.335 3.397 ( -5.123 -4.800 -7.913) 10.578 3.397 ( -5.123 4.800 -7.913) 10.578 4.068 ( -8.309 -8.219 10.435) 15.668 4.068 ( -8.309 8.219 10.435) 15.668 4.379 ( -14.685 -8.003 8.012) 18.544 4.379 ( -14.685 8.003 8.012) 18.544 4.740 ( -10.053 -7.076 4.044) 12.941 4.740 ( -10.053 7.076 4.044) 12.941 4.908 ( -8.731 -6.517 4.680) 11.858 4.908 ( -8.731 6.517 4.680) 11.858 5.287 ( 2.213 -3.699 -2.508) 4.987 5.287 ( 2.213 3.699 -2.508) 4.987 5.607 ( 2.251 -9.997 6.601) 12.189 5.607 ( 2.251 9.997 6.601) 12.189 5.945 ( 2.563 -3.492 4.179) 6.019 5.945 ( 2.563 3.492 4.179) 6.019 6.241 ( 5.322 -9.267 -10.415) 14.922 6.241 ( 5.322 9.267 -10.415) 14.922 7.261 ( 0.417 -10.916 2.275) 11.158 7.261 ( 0.417 10.916 2.275) 11.158 7.645 ( 6.576 -2.737 -4.522) 8.437 7.645 ( 6.576 2.737 -4.522) 8.437 7.996 ( 1.961 -4.273 -1.157) 4.842 7.996 ( 1.961 4.273 -1.157) 4.842 9.085 ( 2.421 -5.389 4.330) 7.325 9.085 ( 2.421 5.389 4.330) 7.325 9.747 ( 2.661 -5.500 4.022) 7.315 9.747 ( 2.661 5.500 4.022) 7.315 9.961 ( -6.592 -6.432 -3.051) 9.702 9.961 ( -6.592 6.432 -3.051) 9.702 10.824 ( 5.596 -12.079 -3.253) 13.704 10.824 ( 5.596 12.079 -3.253) 13.704 11.003 ( -11.643 -3.275 -1.108) 12.146 11.003 ( -11.643 3.275 -1.108) 12.146 12.342 ( 5.483 -2.206 3.371) 6.803 12.342 ( 5.483 2.206 3.371) 6.803 12.679 ( 7.687 -2.125 -2.937) 8.499 12.679 ( 7.687 2.125 -2.937) 8.499 14.626 ( -16.712 -11.813 -2.952) 20.677 14.626 ( -16.712 11.813 -2.952) 20.677 14.856 ( 2.328 -6.174 11.380) 13.155 14.856 ( 2.328 6.174 11.380) 13.155 15.310 ( -8.448 -8.654 4.850) 13.031 15.310 ( -8.448 8.654 4.850) 13.031 15.649 ( 4.465 -8.831 -10.609) 14.507 15.649 ( 4.465 8.831 -10.609) 14.507 20.541 ( -8.326 -3.555 1.912) 9.253 20.541 ( -8.326 3.555 1.912) 9.253 22.082 ( 5.388 -4.395 -5.061) 8.600 22.082 ( 5.388 4.395 -5.061) 8.600 ======================= Grid point 145 (74/160) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 7.625 -6.858 8.396) 13.254 1.859 ( 7.625 6.858 8.396) 13.254 2.280 ( 2.358 -2.490 2.675) 4.350 2.280 ( 2.358 2.490 2.675) 4.350 2.403 ( -0.453 -4.286 -2.504) 4.985 2.403 ( -0.453 4.286 -2.504) 4.985 2.675 ( 4.447 -6.317 -10.098) 12.714 2.675 ( 4.447 6.317 -10.098) 12.714 2.930 ( -0.092 -8.224 -0.253) 8.228 2.930 ( -0.092 8.224 -0.253) 8.228 3.244 ( -3.591 -6.773 -1.329) 7.780 3.244 ( -3.591 6.773 -1.329) 7.780 3.926 ( -18.775 -10.097 5.081) 21.915 3.926 ( -18.775 10.097 5.081) 21.915 4.116 ( -22.132 -9.307 2.949) 24.189 4.116 ( -22.132 9.307 2.949) 24.189 4.681 ( -2.908 -0.821 -0.288) 3.035 4.681 ( -2.908 0.821 -0.288) 3.035 4.863 ( -0.368 -8.008 3.465) 8.733 4.863 ( -0.368 8.008 3.465) 8.733 5.275 ( -0.506 -2.407 0.440) 2.499 5.275 ( -0.506 2.407 0.440) 2.499 5.637 ( -0.145 -4.342 -1.050) 4.469 5.637 ( -0.145 4.342 -1.050) 4.469 6.108 ( 7.066 -3.909 -3.295) 8.722 6.108 ( 7.066 3.909 -3.295) 8.722 6.255 ( 5.573 -2.723 2.734) 6.779 6.255 ( 5.573 2.723 2.734) 6.779 7.268 ( -2.464 -10.351 2.638) 10.963 7.268 ( -2.464 10.351 2.638) 10.963 7.655 ( 1.705 -7.944 -6.979) 10.711 7.655 ( 1.705 7.944 -6.979) 10.711 8.042 ( 3.533 -7.428 0.884) 8.273 8.042 ( 3.533 7.428 0.884) 8.273 9.167 ( 0.005 -1.820 2.898) 3.422 9.167 ( 0.005 1.820 2.898) 3.422 9.721 ( -1.795 -9.515 -2.751) 10.066 9.721 ( -1.795 9.515 -2.751) 10.066 9.922 ( 0.745 -5.739 1.510) 5.981 9.922 ( 0.745 5.739 1.510) 5.981 10.728 ( -5.908 -13.399 -3.761) 15.119 10.728 ( -5.908 13.399 -3.761) 15.119 10.994 ( 3.106 -6.633 2.887) 7.873 10.994 ( 3.106 6.633 2.887) 7.873 12.431 ( 0.610 -2.456 2.524) 3.574 12.431 ( 0.610 2.456 2.524) 3.574 12.786 ( 7.589 -0.353 -1.430) 7.730 12.786 ( 7.589 0.353 -1.430) 7.730 14.326 ( -13.362 -8.359 -1.571) 15.839 14.326 ( -13.362 8.359 -1.571) 15.839 14.813 ( -13.108 -7.160 1.835) 15.048 14.813 ( -13.108 7.160 1.835) 15.048 15.402 ( 5.017 -4.352 8.424) 10.728 15.402 ( 5.017 4.352 8.424) 10.728 15.620 ( 6.800 -6.132 -8.717) 12.642 15.620 ( 6.800 6.132 -8.717) 12.642 20.409 ( -8.644 -3.810 0.856) 9.485 20.409 ( -8.644 3.810 0.856) 9.485 22.123 ( 3.871 -2.855 -1.474) 5.031 22.123 ( 3.871 2.855 -1.474) 5.031 ======================= Grid point 147 (75/160) ======================= q-point: ( 0.40 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 4.372 -3.735 0.429) 5.766 2.027 ( 4.372 3.735 0.429) 5.766 2.351 ( -0.894 -3.642 -4.221) 5.646 2.351 ( -0.894 3.642 -4.221) 5.646 2.424 ( 7.943 -2.035 4.118) 9.176 2.424 ( 7.943 2.035 4.118) 9.176 2.685 ( 8.127 -10.471 -5.814) 14.474 2.685 ( 8.127 10.471 -5.814) 14.474 2.919 ( 0.015 -15.020 0.638) 15.034 2.919 ( 0.015 15.020 0.638) 15.034 3.197 ( -7.701 -8.611 4.296) 12.325 3.197 ( -7.701 8.611 4.296) 12.325 3.633 ( -16.033 -5.550 1.074) 17.001 3.633 ( -16.033 5.550 1.074) 17.001 3.764 ( -16.678 -10.072 -1.809) 19.567 3.764 ( -16.678 10.072 -1.809) 19.567 4.610 ( -1.585 -2.304 -5.220) 5.922 4.610 ( -1.585 2.304 -5.220) 5.922 4.923 ( 2.334 -4.274 2.067) 5.291 4.923 ( 2.334 4.274 2.067) 5.291 5.291 ( -1.029 -3.282 3.796) 5.122 5.291 ( -1.029 3.282 3.796) 5.122 5.643 ( 1.980 -2.445 -0.348) 3.165 5.643 ( 1.980 2.445 -0.348) 3.165 6.077 ( 5.369 -0.651 -13.454) 14.500 6.077 ( 5.369 0.651 -13.453) 14.500 6.428 ( 1.677 -3.570 8.078) 8.990 6.428 ( 1.677 3.570 8.078) 8.990 7.230 ( -3.058 -12.333 -2.469) 12.944 7.230 ( -3.058 12.333 -2.469) 12.944 7.584 ( -0.004 -7.722 -2.655) 8.165 7.584 ( -0.004 7.722 -2.655) 8.165 8.106 ( 2.450 -6.150 -0.526) 6.641 8.106 ( 2.450 6.150 -0.526) 6.641 9.135 ( -2.649 -4.310 -1.529) 5.284 9.135 ( -2.649 4.310 -1.529) 5.284 9.758 ( 3.832 -4.733 4.387) 7.505 9.758 ( 3.832 4.733 4.387) 7.505 9.929 ( -2.204 -4.696 1.588) 5.425 9.929 ( -2.204 4.696 1.588) 5.425 10.636 ( -0.600 -8.937 -2.850) 9.400 10.636 ( -0.600 8.937 -2.850) 9.400 11.056 ( 0.886 -4.445 1.287) 4.712 11.056 ( 0.886 4.445 1.287) 4.712 12.437 ( -2.485 -3.253 2.415) 4.754 12.437 ( -2.485 3.253 2.415) 4.754 12.889 ( 4.803 -1.098 0.078) 4.928 12.889 ( 4.803 1.098 0.078) 4.928 14.152 ( -5.753 -5.263 -0.031) 7.797 14.152 ( -5.753 5.263 -0.031) 7.797 14.610 ( -9.972 -3.894 0.442) 10.714 14.610 ( -9.972 3.894 0.442) 10.714 15.480 ( 4.309 -3.283 -8.353) 9.955 15.480 ( 4.309 3.283 -8.353) 9.955 15.726 ( 4.995 -3.594 6.412) 8.887 15.726 ( 4.995 3.594 6.412) 8.887 20.278 ( -5.804 -3.602 -1.391) 6.971 20.278 ( -5.804 3.602 -1.391) 6.971 22.180 ( 1.830 -1.298 2.813) 3.598 22.180 ( 1.830 1.298 2.813) 3.598 ======================= Grid point 149 (76/160) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -1.602 -7.559 -5.661) 9.579 2.019 ( -1.602 7.559 -5.661) 9.579 2.248 ( 0.275 -0.954 -9.002) 9.057 2.248 ( 0.275 0.954 -9.002) 9.057 2.579 ( 0.824 -5.806 2.635) 6.429 2.579 ( 0.824 5.806 2.635) 6.429 2.790 ( 5.924 -6.249 0.139) 8.612 2.790 ( 5.924 6.249 0.139) 8.612 2.964 ( -0.829 -8.277 4.418) 9.419 2.964 ( -0.829 8.277 4.418) 9.419 3.041 ( -4.063 -11.595 -1.573) 12.387 3.041 ( -4.063 11.595 -1.573) 12.387 3.428 ( -6.182 -3.872 -2.538) 7.723 3.428 ( -6.182 3.872 -2.538) 7.723 3.661 ( 4.338 -4.818 1.466) 6.647 3.661 ( 4.338 4.818 1.466) 6.647 4.496 ( -0.931 -2.185 -9.201) 9.503 4.496 ( -0.931 2.185 -9.201) 9.503 4.991 ( 0.258 -4.015 4.973) 6.397 4.991 ( 0.258 4.015 4.973) 6.397 5.318 ( -1.091 -5.527 3.697) 6.738 5.318 ( -1.091 5.527 3.697) 6.738 5.656 ( 0.588 -3.461 -3.473) 4.939 5.656 ( 0.588 3.461 -3.473) 4.939 6.016 ( 3.053 -5.158 -8.777) 10.629 6.016 ( 3.053 5.158 -8.777) 10.629 6.470 ( -2.514 -3.445 2.184) 4.792 6.470 ( -2.514 3.445 2.184) 4.792 7.118 ( -0.992 -9.648 -7.459) 12.236 7.118 ( -0.992 9.648 -7.459) 12.236 7.641 ( 4.456 -6.865 3.541) 8.918 7.641 ( 4.456 6.865 3.541) 8.918 8.097 ( -0.737 -3.962 -2.877) 4.952 8.097 ( -0.737 3.962 -2.877) 4.952 9.090 ( 0.580 -4.604 -3.060) 5.558 9.090 ( 0.580 4.604 -3.060) 5.558 9.859 ( -4.550 -6.784 6.597) 10.500 9.859 ( -4.550 6.784 6.597) 10.500 9.930 ( 2.668 -5.855 3.601) 7.373 9.930 ( 2.668 5.855 3.601) 7.373 10.616 ( 1.501 -2.442 -2.390) 3.732 10.616 ( 1.501 2.442 -2.390) 3.732 11.061 ( -0.811 -4.783 -0.052) 4.851 11.061 ( -0.811 4.783 -0.052) 4.851 12.429 ( -1.352 -2.046 2.267) 3.340 12.429 ( -1.352 2.046 2.267) 3.340 12.940 ( 0.245 -1.813 1.022) 2.096 12.940 ( 0.245 1.813 1.022) 2.096 14.117 ( 0.523 -3.894 1.125) 4.087 14.117 ( 0.523 3.894 1.125) 4.087 14.522 ( -0.248 -0.735 0.172) 0.795 14.522 ( -0.248 0.735 0.172) 0.795 15.401 ( -0.848 -1.043 -9.746) 9.838 15.401 ( -0.848 1.043 -9.746) 9.838 15.861 ( 1.022 -1.063 6.650) 6.812 15.861 ( 1.022 1.063 6.650) 6.812 20.194 ( -0.147 -2.332 -3.311) 4.053 20.194 ( -0.147 2.332 -3.311) 4.053 22.250 ( 0.079 -0.757 5.873) 5.922 22.250 ( 0.079 0.757 5.873) 5.922 ======================= Grid point 151 (77/160) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -4.975 -9.759 -4.165) 11.719 1.882 ( -4.975 9.759 -4.165) 11.719 2.159 ( 1.185 -0.832 -8.936) 9.052 2.159 ( 1.185 0.832 -8.936) 9.052 2.514 ( -7.211 -2.521 2.390) 8.004 2.514 ( -7.211 2.521 2.390) 8.004 2.788 ( 0.524 -8.545 -5.623) 10.243 2.788 ( 0.524 8.545 -5.623) 10.243 2.997 ( 3.128 -7.746 4.559) 9.516 2.997 ( 3.128 7.746 4.559) 9.516 3.173 ( 8.320 -8.338 2.510) 12.044 3.173 ( 8.320 8.338 2.510) 12.044 3.455 ( 13.249 -7.042 -2.575) 15.223 3.455 ( 13.249 7.042 -2.575) 15.223 3.783 ( 7.277 -1.854 -3.127) 8.134 3.783 ( 7.277 1.854 -3.127) 8.134 4.407 ( 2.552 -6.961 -5.387) 9.164 4.407 ( 2.552 6.961 -5.387) 9.164 5.009 ( -6.363 -6.005 5.301) 10.229 5.009 ( -6.363 6.005 5.301) 10.229 5.356 ( 1.349 -5.265 2.394) 5.939 5.356 ( 1.349 5.265 2.394) 5.939 5.555 ( -1.461 -5.678 -10.357) 11.901 5.555 ( -1.461 5.678 -10.357) 11.901 5.981 ( -1.369 -2.731 1.207) 3.285 5.981 ( -1.369 2.731 1.207) 3.285 6.440 ( -1.641 -4.222 -1.313) 4.716 6.440 ( -1.641 4.222 -1.313) 4.716 7.068 ( 4.747 -6.821 -5.597) 10.019 7.068 ( 4.747 6.821 -5.597) 10.019 7.748 ( 2.763 -7.308 1.214) 7.907 7.748 ( 2.763 7.308 1.214) 7.907 8.038 ( -1.686 -5.917 -2.114) 6.505 8.038 ( -1.686 5.917 -2.114) 6.505 9.065 ( 1.489 -3.302 -4.664) 5.905 9.065 ( 1.489 3.302 -4.664) 5.905 9.811 ( -6.386 -2.900 3.744) 7.951 9.811 ( -6.386 2.900 3.744) 7.951 10.029 ( 0.317 -7.203 5.063) 8.810 10.029 ( 0.317 7.203 5.063) 8.810 10.640 ( 4.452 -4.956 -0.851) 6.716 10.640 ( 4.452 4.956 -0.851) 6.716 11.042 ( -1.463 -5.870 0.702) 6.090 11.042 ( -1.463 5.870 0.702) 6.090 12.440 ( -0.603 -1.052 1.705) 2.092 12.440 ( -0.603 1.052 1.705) 2.092 12.922 ( -3.938 -1.840 1.409) 4.570 12.922 ( -3.938 1.840 1.409) 4.570 14.193 ( 6.874 -4.895 1.224) 8.527 14.193 ( 6.874 4.895 1.224) 8.527 14.601 ( 8.571 -4.342 0.146) 9.609 14.601 ( 8.571 4.342 0.146) 9.609 15.218 ( -7.330 -0.667 -8.464) 11.216 15.218 ( -7.330 0.667 -8.464) 11.216 15.920 ( -1.913 -5.226 4.839) 7.375 15.920 ( -1.913 5.226 4.839) 7.375 20.207 ( 6.278 -0.598 -3.176) 7.061 20.207 ( 6.278 0.598 -3.176) 7.061 22.311 ( -1.827 -2.343 6.365) 7.025 22.311 ( -1.827 2.343 6.365) 7.025 ======================= Grid point 153 (78/160) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -2.052 -8.343 5.388) 10.142 1.820 ( -2.052 8.343 5.388) 10.142 2.080 ( 1.761 -5.410 -6.800) 8.866 2.080 ( 1.761 5.410 -6.800) 8.866 2.501 ( 1.580 -4.347 2.689) 5.350 2.501 ( 1.580 4.347 2.689) 5.350 2.729 ( 0.249 -2.830 -4.857) 5.627 2.729 ( 0.249 2.830 -4.857) 5.627 3.132 ( 3.229 -5.926 8.001) 10.467 3.132 ( 3.229 5.926 8.001) 10.467 3.334 ( 11.240 -3.371 -5.679) 13.037 3.334 ( 11.240 3.371 -5.679) 13.037 3.627 ( 2.717 -1.249 -5.037) 5.858 3.627 ( 2.717 1.249 -5.037) 5.858 3.882 ( 18.363 -12.615 -4.442) 22.717 3.882 ( 18.363 12.615 -4.442) 22.717 4.473 ( 5.296 -14.880 2.960) 16.069 4.473 ( 5.296 14.880 2.960) 16.069 4.921 ( -6.148 -6.279 0.756) 8.820 4.921 ( -6.148 6.279 0.756) 8.820 5.334 ( -1.208 -5.284 -7.943) 9.617 5.334 ( -1.208 5.284 -7.943) 9.617 5.484 ( -0.090 -6.244 2.274) 6.646 5.484 ( -0.090 6.244 2.274) 6.646 5.978 ( -3.423 -3.218 3.065) 5.610 5.978 ( -3.423 3.218 3.065) 5.610 6.389 ( 0.019 -5.205 -2.655) 5.843 6.389 ( 0.019 5.205 -2.655) 5.843 7.133 ( 6.833 -8.674 -1.791) 11.187 7.133 ( 6.833 8.674 -1.791) 11.187 7.731 ( -2.515 -3.983 -3.620) 5.941 7.731 ( -2.515 3.983 -3.620) 5.941 8.014 ( -0.090 -4.816 0.281) 4.825 8.014 ( -0.090 4.816 0.281) 4.825 9.024 ( -0.371 -2.861 -3.382) 4.445 9.024 ( -0.371 2.861 -3.382) 4.445 9.735 ( -6.796 -0.953 1.928) 7.129 9.735 ( -6.796 0.953 1.928) 7.129 10.048 ( -2.090 -7.962 1.794) 8.425 10.048 ( -2.090 7.962 1.794) 8.425 10.752 ( 8.829 -12.908 -1.317) 15.694 10.752 ( 8.829 12.908 -1.317) 15.694 11.046 ( -0.010 -5.298 3.544) 6.374 11.046 ( -0.010 5.298 3.544) 6.374 12.424 ( -4.544 -2.945 1.941) 5.753 12.424 ( -4.544 2.945 1.941) 5.753 12.845 ( -6.068 -1.927 0.423) 6.381 12.845 ( -6.068 1.927 0.423) 6.381 14.383 ( 13.949 -8.549 -0.224) 16.362 14.383 ( 13.949 8.549 -0.224) 16.362 14.734 ( 0.180 -6.812 -0.091) 6.815 14.734 ( 0.180 6.812 -0.091) 6.815 15.033 ( 2.506 -4.174 -5.021) 6.994 15.033 ( 2.506 4.174 -5.021) 6.994 15.916 ( -3.690 -9.926 2.728) 10.936 15.916 ( -3.690 9.926 2.728) 10.936 20.324 ( 9.900 -3.724 -1.516) 10.686 20.324 ( 9.900 3.724 -1.516) 10.686 22.329 ( -3.916 -4.244 4.495) 7.318 22.329 ( -3.916 4.244 4.495) 7.318 ======================= Grid point 155 (79/160) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.972 -8.511 11.103) 14.847 1.948 ( 4.972 8.511 11.103) 14.847 2.076 ( 3.476 -7.728 -2.003) 8.707 2.076 ( 3.476 7.728 -2.003) 8.707 2.549 ( -1.164 -6.146 -0.018) 6.255 2.549 ( -1.164 6.146 -0.018) 6.255 2.710 ( 4.116 -6.461 -2.392) 8.025 2.710 ( 4.116 6.461 -2.392) 8.025 3.210 ( -1.606 -7.404 -9.407) 12.079 3.210 ( -1.606 7.404 -9.407) 12.079 3.370 ( 4.103 -6.536 0.561) 7.738 3.370 ( 4.103 6.536 0.561) 7.738 3.581 ( 0.146 -7.998 -0.456) 8.013 3.581 ( 0.146 7.998 -0.456) 8.013 4.240 ( 20.084 -10.130 1.645) 22.554 4.240 ( 20.084 10.130 1.645) 22.554 4.609 ( 3.507 -10.911 5.800) 12.845 4.609 ( 3.507 10.911 5.800) 12.845 4.886 ( 3.089 -7.376 0.334) 8.004 4.886 ( 3.089 7.376 0.334) 8.004 5.228 ( -0.879 -3.269 -5.253) 6.249 5.228 ( -0.879 3.269 -5.253) 6.249 5.488 ( -3.022 -2.053 1.068) 3.807 5.488 ( -3.022 2.053 1.068) 3.807 5.910 ( -3.978 -3.599 -1.975) 5.716 5.910 ( -3.978 3.599 -1.975) 5.716 6.423 ( 3.710 -5.211 1.976) 6.694 6.423 ( 3.710 5.211 1.976) 6.694 7.203 ( 1.054 -9.946 -0.571) 10.018 7.203 ( 1.054 9.946 -0.571) 10.018 7.625 ( -2.571 -2.420 -4.137) 5.439 7.625 ( -2.571 2.420 -4.137) 5.439 8.013 ( -0.465 -4.263 -0.534) 4.322 8.013 ( -0.465 4.263 -0.534) 4.322 8.999 ( -0.057 -4.707 1.108) 4.836 8.999 ( -0.057 4.707 1.108) 4.836 9.611 ( -9.169 -2.754 0.316) 9.578 9.611 ( -9.169 2.754 0.316) 9.578 10.039 ( 0.318 -9.033 0.266) 9.043 10.039 ( 0.318 9.033 0.266) 9.043 10.857 ( 6.178 -18.092 -3.003) 19.352 10.857 ( 6.178 18.092 -3.003) 19.352 11.153 ( 6.822 -6.311 3.522) 9.939 11.153 ( 6.822 6.311 3.522) 9.939 12.320 ( -10.226 -3.264 2.390) 10.998 12.320 ( -10.226 3.264 2.390) 10.998 12.737 ( -5.954 -3.148 -0.785) 6.781 12.737 ( -5.954 3.148 -0.785) 6.781 14.464 ( -8.019 -4.792 -4.283) 10.277 14.464 ( -8.019 4.792 -4.283) 10.277 14.761 ( 13.499 -10.758 4.022) 17.724 14.761 ( 13.499 10.758 4.022) 17.724 15.220 ( 16.162 -10.640 -1.307) 19.394 15.220 ( 16.162 10.640 -1.307) 19.394 15.861 ( -4.499 -13.195 0.024) 13.941 15.861 ( -4.499 13.195 0.024) 13.941 20.483 ( 8.950 -6.067 -0.062) 10.813 20.483 ( 8.950 6.067 -0.062) 10.813 22.284 ( -5.173 -5.835 1.246) 7.897 22.284 ( -5.173 5.835 1.246) 7.897 ======================= Grid point 157 (80/160) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 1.757 -8.423 -1.499) 8.734 2.114 ( 1.757 8.423 -1.499) 8.734 2.217 ( 8.879 -8.103 10.850) 16.193 2.217 ( 8.879 8.103 10.850) 16.193 2.442 ( -5.918 -8.405 -6.483) 12.153 2.442 ( -5.918 8.405 -6.483) 12.153 2.771 ( 3.533 -9.257 -1.776) 10.066 2.771 ( 3.533 9.257 -1.776) 10.066 3.013 ( -1.279 -7.000 -8.252) 10.896 3.013 ( -1.279 7.000 -8.252) 10.896 3.356 ( -0.696 -7.290 -10.968) 13.188 3.356 ( -0.696 7.290 -10.968) 13.188 3.702 ( 0.289 -5.313 19.005) 19.736 3.702 ( 0.289 5.313 19.005) 19.736 4.512 ( 7.407 -2.749 3.877) 8.801 4.512 ( 7.407 2.749 3.877) 8.801 4.694 ( 0.215 -5.149 3.005) 5.965 4.694 ( 0.215 5.149 3.005) 5.965 5.032 ( 8.258 -7.823 1.554) 11.481 5.032 ( 8.258 7.823 1.554) 11.481 5.212 ( 2.280 -3.644 1.549) 4.569 5.212 ( 2.280 3.644 1.549) 4.569 5.414 ( -3.193 -3.484 -2.185) 5.207 5.414 ( -3.193 3.484 -2.185) 5.207 5.863 ( 1.005 -2.539 -0.572) 2.790 5.863 ( 1.005 2.539 -0.572) 2.790 6.496 ( 1.851 -8.101 -0.272) 8.314 6.496 ( 1.851 8.101 -0.272) 8.314 7.124 ( -6.509 -7.798 -2.007) 10.354 7.124 ( -6.509 7.798 -2.007) 10.354 7.588 ( 1.502 -2.078 -1.419) 2.930 7.588 ( 1.502 2.078 -1.419) 2.930 7.987 ( 0.029 -7.363 -2.162) 7.674 7.987 ( 0.029 7.363 -2.162) 7.674 9.050 ( 0.905 -5.082 4.068) 6.572 9.050 ( 0.905 5.082 4.068) 6.572 9.459 ( -7.902 -5.730 1.466) 9.870 9.459 ( -7.902 5.730 1.466) 9.870 10.065 ( 1.857 -11.375 0.572) 11.540 10.065 ( 1.857 11.375 0.572) 11.540 10.901 ( 3.199 -19.056 -4.031) 19.738 10.901 ( 3.199 19.056 -4.031) 19.738 11.311 ( 8.198 -9.222 -0.300) 12.343 11.311 ( 8.198 9.222 -0.300) 12.343 12.166 ( -10.340 -2.434 3.321) 11.129 12.166 ( -10.340 2.434 3.321) 11.129 12.631 ( -4.162 -4.463 -1.817) 6.367 12.631 ( -4.162 4.463 -1.817) 6.367 14.294 ( -7.781 -3.004 3.428) 9.018 14.294 ( -7.781 3.004 3.428) 9.018 15.081 ( 16.419 -17.373 1.268) 23.938 15.081 ( 16.419 17.373 1.268) 23.938 15.420 ( 6.128 -13.467 -0.818) 14.818 15.420 ( 6.128 13.467 -0.818) 14.818 15.782 ( -1.738 -13.736 -2.645) 14.096 15.782 ( -1.738 13.736 -2.645) 14.096 20.609 ( 4.919 -6.176 0.694) 7.926 20.609 ( 4.919 6.176 0.694) 7.926 22.193 ( -4.069 -6.477 -2.448) 8.031 22.193 ( -4.069 6.477 -2.448) 8.031 ======================= Grid point 189 (81/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.181 0.000 24.686) 24.687 1.275 ( 5.977 0.000 28.581) 29.199 1.933 ( -3.110 0.000 -16.678) 16.966 2.229 ( -4.648 0.000 -15.142) 15.840 2.491 ( -8.574 0.000 49.347) 50.086 2.596 ( 1.778 0.000 -2.870) 3.376 2.707 ( 0.392 0.000 -10.314) 10.322 3.090 ( 2.216 0.000 7.364) 7.690 3.249 ( -1.827 0.000 -2.665) 3.232 3.437 ( 2.819 0.000 1.577) 3.230 3.647 ( 5.575 0.000 4.933) 7.444 3.841 ( 6.293 0.000 -4.685) 7.845 3.842 ( -0.376 0.000 7.969) 7.978 3.920 ( -12.207 0.000 6.249) 13.714 4.042 ( 9.201 0.000 -16.600) 18.979 4.058 ( 4.859 0.000 -3.146) 5.789 4.165 ( 4.917 0.000 11.277) 12.302 4.366 ( 6.187 0.000 -3.191) 6.961 4.509 ( -18.574 0.000 -2.180) 18.702 4.580 ( -3.869 0.000 -6.809) 7.832 4.853 ( -4.392 0.000 11.459) 12.272 5.260 ( 16.026 0.000 13.054) 20.670 5.345 ( 5.212 0.000 -8.941) 10.349 5.700 ( -0.047 0.000 5.152) 5.152 5.769 ( -12.915 0.000 -4.103) 13.551 5.942 ( -2.226 0.000 7.777) 8.089 6.090 ( -1.151 0.000 -15.991) 16.032 6.301 ( 0.402 0.000 -10.129) 10.137 6.685 ( 5.611 0.000 8.045) 9.808 7.006 ( -4.528 0.000 -4.654) 6.494 7.239 ( -1.801 0.000 7.820) 8.025 7.528 ( 0.795 0.000 -4.111) 4.187 8.146 ( -1.774 0.000 -1.978) 2.656 8.184 ( 3.885 0.000 -7.028) 8.030 8.314 ( -0.561 0.000 14.961) 14.971 9.114 ( 0.202 0.000 -20.179) 20.180 9.129 ( -2.487 0.000 7.541) 7.940 9.428 ( 3.417 0.000 -3.747) 5.071 9.780 ( 2.737 0.000 4.132) 4.956 10.260 ( -2.338 0.000 -15.139) 15.319 10.886 ( -1.947 0.000 13.525) 13.664 11.207 ( 5.035 0.000 3.417) 6.085 11.545 ( -4.528 0.000 0.836) 4.604 11.827 ( -9.900 0.000 6.631) 11.915 11.873 ( 4.709 0.000 -1.255) 4.874 12.199 ( 2.419 0.000 12.038) 12.278 12.300 ( 0.305 0.000 -5.872) 5.880 12.672 ( -0.973 0.000 -10.050) 10.097 13.840 ( -0.852 0.000 1.516) 1.739 13.911 ( -0.630 0.000 -1.361) 1.500 14.605 ( 5.617 0.000 0.552) 5.644 14.687 ( -2.698 0.000 8.551) 8.967 14.828 ( 2.355 0.000 8.175) 8.508 15.636 ( -0.064 0.000 -14.395) 14.395 16.124 ( -1.277 0.000 1.201) 1.753 16.213 ( 1.067 0.000 -3.570) 3.726 20.100 ( 1.024 0.000 7.015) 7.089 20.285 ( -2.493 0.000 -1.656) 2.993 22.246 ( 0.753 0.000 -0.221) 0.785 22.410 ( -0.353 0.000 -7.785) 7.793 ======================= Grid point 190 (82/160) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 9.105 0.000 19.087) 21.148 1.743 ( 6.368 0.000 -5.638) 8.506 1.776 ( 10.389 0.000 15.790) 18.901 1.948 ( -0.072 0.000 -21.218) 21.218 2.537 ( -6.518 0.000 -4.898) 8.153 2.545 ( -3.637 0.000 -1.452) 3.916 2.959 ( -0.866 0.000 22.759) 22.775 3.114 ( -6.251 0.000 0.851) 6.309 3.324 ( 7.887 0.000 20.494) 21.959 3.493 ( 0.618 0.000 4.236) 4.281 3.524 ( -5.568 0.000 -12.823) 13.980 3.744 ( -20.468 0.000 -7.885) 21.934 3.770 ( -9.113 0.000 1.863) 9.302 3.860 ( -1.746 0.000 -11.558) 11.689 4.044 ( 7.220 0.000 -7.717) 10.568 4.060 ( 3.735 0.000 10.198) 10.860 4.185 ( 1.093 0.000 3.377) 3.549 4.269 ( 2.746 0.000 -8.606) 9.033 4.652 ( 17.359 0.000 7.745) 19.009 4.716 ( 7.039 0.000 -2.477) 7.462 4.904 ( -5.034 0.000 10.147) 11.327 5.273 ( 2.817 0.000 -5.417) 6.106 5.534 ( -6.978 0.000 -9.809) 12.038 5.749 ( 13.542 0.000 15.038) 20.237 5.800 ( 1.910 0.000 7.684) 7.918 5.992 ( 12.605 0.000 -16.944) 21.119 6.039 ( 6.463 0.000 6.435) 9.120 6.184 ( -1.033 0.000 -6.086) 6.173 6.823 ( -7.060 0.000 -8.099) 10.744 6.856 ( 4.700 0.000 8.073) 9.341 7.297 ( -5.342 0.000 7.542) 9.243 7.523 ( 6.273 0.000 -6.816) 9.263 8.070 ( -3.257 0.000 -2.561) 4.143 8.145 ( -0.688 0.000 -3.067) 3.143 8.608 ( 11.038 0.000 20.588) 23.360 8.932 ( 6.517 0.000 -20.434) 21.448 9.162 ( -3.734 0.000 6.673) 7.647 9.399 ( 0.601 0.000 -6.101) 6.130 9.857 ( -4.543 0.000 10.527) 11.465 9.985 ( -7.718 0.000 -14.365) 16.307 10.928 ( -7.795 0.000 10.013) 12.690 11.181 ( -6.906 0.000 -10.279) 12.383 11.489 ( -5.802 0.000 12.465) 13.749 11.679 ( -7.022 0.000 -4.750) 8.477 12.123 ( 12.814 0.000 9.550) 15.982 12.335 ( 11.066 0.000 -7.152) 13.176 12.411 ( 4.793 0.000 11.617) 12.567 12.539 ( 1.393 0.000 -11.587) 11.670 13.925 ( 7.391 0.000 2.899) 7.939 13.941 ( 6.403 0.000 -1.763) 6.641 14.668 ( 1.933 0.000 -4.385) 4.792 14.700 ( 5.709 0.000 0.539) 5.734 15.121 ( 5.541 0.000 21.411) 22.117 15.445 ( 2.156 0.000 -19.139) 19.260 16.079 ( -5.890 0.000 1.755) 6.146 16.166 ( -2.507 0.000 -2.686) 3.674 20.265 ( 8.161 0.000 6.176) 10.234 20.280 ( 4.958 0.000 -2.717) 5.654 22.258 ( -0.752 0.000 1.967) 2.105 22.307 ( -1.622 0.000 -6.331) 6.536 ======================= Grid point 191 (83/160) ======================= q-point: ( 0.20 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 8.523 0.000 -8.999) 12.394 1.748 ( 6.476 0.000 -17.297) 18.470 1.839 ( 7.672 0.000 11.403) 13.743 2.157 ( -1.363 0.000 8.120) 8.234 2.394 ( 1.982 0.000 10.258) 10.447 2.535 ( -0.431 0.000 4.517) 4.537 2.926 ( -15.030 0.000 -5.960) 16.169 3.089 ( -2.368 0.000 1.919) 3.048 3.232 ( -10.367 0.000 -10.990) 15.108 3.256 ( -14.260 0.000 -6.985) 15.879 3.500 ( -18.945 0.000 -1.451) 19.000 3.557 ( -4.002 0.000 13.182) 13.776 3.833 ( 13.377 0.000 15.541) 20.505 3.870 ( 18.937 0.000 -12.530) 22.707 4.047 ( 7.402 0.000 -12.441) 14.477 4.245 ( 9.637 0.000 -15.341) 18.117 4.253 ( 1.591 0.000 2.385) 2.867 4.367 ( 15.015 0.000 10.654) 18.411 4.691 ( -2.676 0.000 1.481) 3.059 4.831 ( -6.660 0.000 4.984) 8.318 5.122 ( 16.008 0.000 9.258) 18.493 5.229 ( -5.508 0.000 -10.178) 11.573 5.360 ( 4.681 0.000 -6.407) 7.934 5.893 ( -6.888 0.000 7.786) 10.395 5.917 ( 1.310 0.000 6.520) 6.650 6.088 ( 15.009 0.000 -10.323) 18.216 6.139 ( 1.118 0.000 -2.210) 2.476 6.326 ( 8.405 0.000 6.019) 10.338 6.613 ( -4.598 0.000 -8.372) 9.552 7.039 ( -3.073 0.000 4.368) 5.341 7.276 ( 3.111 0.000 11.802) 12.205 7.547 ( 8.066 0.000 -10.635) 13.348 7.984 ( -4.035 0.000 -2.005) 4.506 8.093 ( -2.691 0.000 -0.984) 2.866 8.869 ( 12.130 0.000 -16.097) 20.156 9.130 ( -2.771 0.000 9.577) 9.970 9.164 ( 14.556 0.000 16.846) 22.263 9.321 ( -0.338 0.000 -6.238) 6.247 9.753 ( -0.175 0.000 -6.924) 6.926 9.885 ( -7.589 0.000 12.458) 14.587 10.852 ( -12.562 0.000 -12.768) 17.912 10.873 ( -9.874 0.000 5.549) 11.326 11.501 ( -5.223 0.000 -6.227) 8.127 11.549 ( -6.329 0.000 10.876) 12.583 12.439 ( 7.984 0.000 -8.487) 11.652 12.443 ( 10.656 0.000 8.708) 13.761 12.493 ( 10.283 0.000 -7.155) 12.527 12.614 ( 3.963 0.000 8.894) 9.737 14.089 ( 12.373 0.000 -0.696) 12.393 14.150 ( 14.204 0.000 3.108) 14.540 14.690 ( 7.843 0.000 -5.613) 9.645 14.831 ( 8.497 0.000 1.023) 8.558 15.275 ( 5.114 0.000 -19.141) 19.813 15.430 ( 2.407 0.000 15.514) 15.699 15.975 ( -9.636 0.000 4.064) 10.458 16.055 ( -6.884 0.000 -2.561) 7.345 20.383 ( 10.605 0.000 -3.051) 11.035 20.491 ( 10.912 0.000 2.833) 11.274 22.212 ( -2.506 0.000 -3.162) 4.034 22.266 ( -2.935 0.000 4.770) 5.601 ======================= Grid point 192 (84/160) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 10.896 0.000 -10.920) 15.426 1.805 ( 13.139 0.000 -9.972) 16.494 2.065 ( 1.468 0.000 5.494) 5.687 2.099 ( -8.714 0.000 9.598) 12.964 2.470 ( -11.129 0.000 -3.403) 11.637 2.666 ( -0.213 0.000 4.838) 4.842 2.680 ( -0.129 0.000 10.577) 10.578 2.901 ( -9.896 0.000 -1.153) 9.963 3.028 ( -5.596 0.000 -7.425) 9.298 3.090 ( -4.961 0.000 1.883) 5.307 3.175 ( -9.645 0.000 -6.891) 11.854 3.635 ( -7.266 0.000 12.079) 14.096 3.966 ( -2.112 0.000 -7.079) 7.388 4.004 ( 9.178 0.000 -18.134) 20.324 4.114 ( 17.805 0.000 -8.100) 19.561 4.288 ( 19.731 0.000 -11.777) 22.979 4.348 ( 3.832 0.000 8.638) 9.450 4.677 ( 5.778 0.000 0.467) 5.797 4.737 ( -4.979 0.000 -2.437) 5.543 4.818 ( 13.882 0.000 4.327) 14.541 4.973 ( -4.368 0.000 -13.202) 13.906 5.445 ( 10.405 0.000 4.736) 11.432 5.496 ( 10.826 0.000 6.141) 12.447 5.808 ( -9.984 0.000 3.898) 10.718 5.997 ( 0.610 0.000 4.197) 4.241 6.137 ( 0.377 0.000 -4.374) 4.390 6.157 ( 2.053 0.000 -1.092) 2.325 6.341 ( -9.971 0.000 -0.584) 9.988 6.503 ( -0.853 0.000 -2.018) 2.190 6.932 ( -5.856 0.000 5.112) 7.773 7.552 ( 9.687 0.000 -13.078) 16.275 7.646 ( 12.255 0.000 12.886) 17.783 7.863 ( -7.651 0.000 -1.686) 7.835 8.033 ( -2.866 0.000 -0.408) 2.895 8.942 ( 12.877 0.000 -10.515) 16.625 9.012 ( -7.988 0.000 1.282) 8.090 9.280 ( 5.107 0.000 -4.967) 7.124 9.625 ( 7.616 0.000 12.238) 14.415 9.910 ( -6.041 0.000 11.351) 12.859 9.914 ( 16.486 0.000 6.592) 17.755 10.484 ( -11.478 0.000 -12.500) 16.971 10.712 ( -13.508 0.000 1.964) 13.650 11.377 ( -0.611 0.000 -5.695) 5.728 11.500 ( -10.553 0.000 5.344) 11.829 12.485 ( 8.677 0.000 -4.948) 9.989 12.638 ( 10.659 0.000 -2.297) 10.904 12.672 ( 4.400 0.000 6.722) 8.034 12.752 ( 2.532 0.000 5.394) 5.959 14.337 ( 16.796 0.000 -0.181) 16.797 14.466 ( 18.137 0.000 2.404) 18.296 14.794 ( 12.036 0.000 -6.478) 13.669 15.005 ( 9.910 0.000 -0.242) 9.913 15.174 ( 7.054 0.000 -14.045) 15.717 15.508 ( -8.312 0.000 5.391) 9.907 15.865 ( -11.170 0.000 -3.159) 11.608 15.877 ( -9.865 0.000 7.839) 12.601 20.549 ( 12.112 0.000 -2.845) 12.442 20.688 ( 10.486 0.000 -0.832) 10.519 22.158 ( -2.027 0.000 1.148) 2.329 22.272 ( -4.890 0.000 7.328) 8.810 ======================= Grid point 193 (85/160) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 11.513 0.000 -2.699) 11.825 1.919 ( -13.124 0.000 0.729) 13.144 1.926 ( 16.351 0.000 -13.324) 21.092 2.114 ( -7.401 0.000 15.988) 17.618 2.509 ( -12.724 0.000 -1.472) 12.809 2.516 ( 12.820 0.000 -2.673) 13.096 2.722 ( -16.395 0.000 -1.573) 16.470 2.739 ( -2.468 0.000 6.029) 6.515 2.898 ( 0.116 0.000 -3.432) 3.434 3.032 ( 0.027 0.000 -2.726) 2.726 3.185 ( 4.678 0.000 5.064) 6.894 3.435 ( -13.996 0.000 -11.947) 18.402 3.927 ( 0.141 0.000 4.717) 4.719 3.953 ( 8.168 0.000 -14.114) 16.307 4.206 ( 4.124 0.000 -1.945) 4.559 4.468 ( -2.354 0.000 3.841) 4.505 4.593 ( 5.455 0.000 -6.221) 8.274 4.642 ( -6.497 0.000 -0.706) 6.535 4.727 ( 28.861 0.000 -7.274) 29.764 4.811 ( 6.534 0.000 -8.780) 10.944 5.152 ( 14.910 0.000 3.965) 15.428 5.538 ( -3.326 0.000 -2.396) 4.099 5.701 ( 0.478 0.000 0.074) 0.484 5.722 ( -1.847 0.000 3.409) 3.877 5.988 ( -9.094 0.000 -2.463) 9.422 6.028 ( -0.625 0.000 -3.606) 3.660 6.078 ( -14.365 0.000 0.191) 14.366 6.185 ( -0.185 0.000 -0.267) 0.325 6.597 ( 9.545 0.000 10.043) 13.855 6.978 ( -3.144 0.000 12.300) 12.696 7.577 ( 10.768 0.000 -12.391) 16.416 7.670 ( -9.269 0.000 -5.067) 10.563 7.914 ( 3.404 0.000 8.136) 8.820 7.998 ( -0.590 0.000 -0.383) 0.703 8.942 ( -3.564 0.000 3.403) 4.928 9.007 ( 6.921 0.000 -6.347) 9.390 9.405 ( 12.661 0.000 -1.816) 12.791 9.751 ( -4.189 0.000 0.047) 4.190 9.926 ( -5.770 0.000 6.056) 8.365 10.145 ( 2.084 0.000 -3.261) 3.870 10.328 ( 8.033 0.000 1.894) 8.253 10.510 ( -11.593 0.000 3.460) 12.098 11.337 ( 3.447 0.000 -5.526) 6.513 11.337 ( -12.458 0.000 1.835) 12.593 12.607 ( 8.324 0.000 -0.470) 8.338 12.736 ( -2.643 0.000 2.912) 3.933 12.783 ( 7.925 0.000 -0.241) 7.928 12.843 ( 0.153 0.000 4.554) 4.556 14.648 ( 20.331 0.000 -1.795) 20.411 14.810 ( 18.959 0.000 1.074) 18.989 14.922 ( 10.152 0.000 -4.965) 11.301 15.024 ( -1.156 0.000 -7.243) 7.334 15.290 ( 14.275 0.000 -2.029) 14.418 15.331 ( -15.930 0.000 2.649) 16.149 15.612 ( -11.987 0.000 -3.987) 12.633 15.776 ( -12.529 0.000 5.701) 13.765 20.702 ( 8.417 0.000 -2.054) 8.664 20.821 ( 6.798 0.000 -2.619) 7.285 22.181 ( 0.720 0.000 4.660) 4.715 22.271 ( -5.670 0.000 7.791) 9.636 ======================= Grid point 194 (86/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -11.404 0.000 -1.182) 11.465 2.027 ( 10.642 0.000 -9.332) 14.154 2.028 ( 9.366 0.000 3.080) 9.860 2.210 ( -4.774 0.000 12.278) 13.173 2.321 ( -7.194 0.000 -3.132) 7.847 2.457 ( -6.047 0.000 -0.056) 6.048 2.683 ( 10.997 0.000 -6.195) 12.622 2.739 ( 1.327 0.000 1.019) 1.674 2.889 ( -1.198 0.000 -3.241) 3.455 2.993 ( -0.806 0.000 -2.791) 2.905 3.137 ( 0.554 0.000 -7.495) 7.516 3.230 ( 0.444 0.000 -6.777) 6.792 3.936 ( -6.334 0.000 1.587) 6.530 3.976 ( 6.823 0.000 -3.094) 7.492 4.242 ( -0.409 0.000 2.544) 2.576 4.399 ( -9.746 0.000 6.375) 11.645 4.501 ( -2.090 0.000 -7.776) 8.052 4.577 ( 3.676 0.000 -3.296) 4.938 4.928 ( 3.194 0.000 4.368) 5.411 5.208 ( 23.506 0.000 -4.870) 24.005 5.376 ( -14.017 0.000 -0.940) 14.049 5.395 ( -2.415 0.000 -2.314) 3.344 5.429 ( -0.321 0.000 2.403) 2.425 5.677 ( -10.563 0.000 -5.859) 12.079 5.831 ( -0.707 0.000 -0.922) 1.162 5.928 ( 1.372 0.000 -3.655) 3.904 6.049 ( -0.871 0.000 2.560) 2.704 6.171 ( 2.604 0.000 -1.698) 3.109 6.991 ( 15.205 0.000 14.201) 20.805 7.064 ( -5.923 0.000 13.371) 14.624 7.412 ( -12.123 0.000 -7.462) 14.235 7.610 ( 9.537 0.000 -12.272) 15.542 7.995 ( 0.089 0.000 2.326) 2.328 8.000 ( 1.165 0.000 -0.057) 1.166 8.936 ( -2.521 0.000 2.187) 3.338 9.061 ( 7.197 0.000 -4.586) 8.534 9.546 ( -13.105 0.000 -2.196) 13.288 9.606 ( 9.941 0.000 1.101) 10.002 9.828 ( -10.198 0.000 2.944) 10.614 10.131 ( 1.955 0.000 -5.195) 5.551 10.436 ( -4.926 0.000 5.785) 7.598 10.530 ( 9.162 0.000 2.226) 9.428 11.158 ( -9.451 0.000 1.899) 9.639 11.363 ( 7.587 0.000 -5.560) 9.406 12.684 ( -6.139 0.000 1.909) 6.429 12.728 ( 5.067 0.000 0.654) 5.109 12.840 ( -5.899 0.000 3.053) 6.642 12.899 ( 4.921 0.000 0.532) 4.950 14.843 ( -12.318 0.000 -3.866) 12.911 14.910 ( 10.892 0.000 -8.534) 13.837 15.040 ( -4.572 0.000 2.392) 5.160 15.096 ( -0.333 0.000 4.302) 4.315 15.130 ( 17.345 0.000 -0.596) 17.355 15.289 ( -8.914 0.000 -5.928) 10.705 15.580 ( -15.394 0.000 2.673) 15.624 15.613 ( 14.811 0.000 0.336) 14.815 20.774 ( 1.440 0.000 -0.311) 1.473 20.836 ( -1.471 0.000 -3.305) 3.617 22.268 ( -3.975 0.000 5.795) 7.027 22.286 ( 4.245 0.000 5.010) 6.567 ======================= Grid point 195 (87/160) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -22.854 0.000 -2.849) 23.031 1.938 ( -12.339 0.000 -7.632) 14.509 2.202 ( 3.810 0.000 -0.224) 3.817 2.224 ( 6.804 0.000 6.310) 9.279 2.250 ( 0.994 0.000 3.151) 3.305 2.641 ( 13.587 0.000 7.996) 15.765 2.757 ( 7.262 0.000 -13.192) 15.058 2.789 ( 9.666 0.000 -1.626) 9.802 2.943 ( 2.050 0.000 -5.471) 5.843 2.948 ( 8.167 0.000 2.547) 8.555 3.092 ( -3.648 0.000 -8.357) 9.118 3.184 ( 3.841 0.000 2.205) 4.429 3.751 ( -15.250 0.000 0.626) 15.263 4.085 ( 5.802 0.000 1.343) 5.955 4.200 ( -14.878 0.000 -2.241) 15.046 4.255 ( -3.422 0.000 5.206) 6.230 4.503 ( 2.582 0.000 -0.495) 2.629 4.625 ( -28.221 0.000 -1.668) 28.271 4.627 ( 2.855 0.000 0.132) 2.859 5.104 ( -7.784 0.000 -9.569) 12.335 5.337 ( 5.550 0.000 8.324) 10.005 5.355 ( -13.386 0.000 -6.770) 15.000 5.556 ( 0.886 0.000 5.887) 5.954 5.588 ( 3.250 0.000 2.365) 4.020 5.906 ( 3.480 0.000 -3.094) 4.657 5.915 ( 5.755 0.000 3.061) 6.518 6.108 ( 6.634 0.000 0.349) 6.643 6.253 ( 8.778 0.000 -2.862) 9.233 6.998 ( -15.212 0.000 -2.975) 15.500 7.153 ( -7.739 0.000 2.888) 8.261 7.360 ( 8.633 0.000 9.074) 12.525 7.594 ( 7.055 0.000 -12.906) 14.708 8.015 ( 1.472 0.000 -0.073) 1.474 8.041 ( 3.203 0.000 0.372) 3.225 8.874 ( -6.427 0.000 -0.094) 6.428 9.128 ( 6.873 0.000 -5.383) 8.730 9.286 ( -17.080 0.000 1.076) 17.114 9.675 ( -2.941 0.000 1.243) 3.193 9.817 ( 0.563 0.000 11.246) 11.260 10.153 ( 7.668 0.000 -1.178) 7.758 10.400 ( -4.844 0.000 0.114) 4.845 10.634 ( 3.692 0.000 -3.861) 5.342 11.110 ( -0.299 0.000 4.615) 4.624 11.467 ( 11.018 0.000 -4.166) 11.780 12.581 ( -8.701 0.000 2.075) 8.944 12.727 ( -10.208 0.000 2.424) 10.491 12.795 ( 2.094 0.000 0.431) 2.138 12.945 ( -0.385 0.000 -0.011) 0.385 14.530 ( -19.186 0.000 -1.182) 19.223 14.769 ( -17.485 0.000 1.673) 17.565 14.881 ( -5.546 0.000 -2.331) 6.016 15.033 ( -10.473 0.000 -6.868) 12.524 15.294 ( -7.137 0.000 -0.847) 7.187 15.413 ( 14.982 0.000 -0.639) 14.995 15.451 ( 11.000 0.000 4.167) 11.763 15.878 ( 14.213 0.000 0.091) 14.213 20.694 ( -10.359 0.000 -2.479) 10.651 20.748 ( -4.778 0.000 1.084) 4.900 22.271 ( -1.371 0.000 2.128) 2.532 22.421 ( 5.707 0.000 2.344) 6.170 ======================= Grid point 196 (88/160) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -23.568 0.000 16.239) 28.621 1.565 ( -21.311 0.000 -4.004) 21.684 2.283 ( 3.947 0.000 0.199) 3.952 2.391 ( 15.518 0.000 -4.267) 16.094 2.403 ( 2.595 0.000 8.999) 9.365 2.649 ( -4.068 0.000 -11.263) 11.975 2.857 ( 2.325 0.000 -0.944) 2.509 2.922 ( 0.350 0.000 -1.227) 1.276 2.959 ( 1.122 0.000 -5.477) 5.591 3.079 ( 6.766 0.000 1.603) 6.953 3.128 ( 13.766 0.000 15.740) 20.910 3.260 ( -0.937 0.000 0.919) 1.312 3.475 ( -11.050 0.000 -3.793) 11.683 3.885 ( -17.277 0.000 2.370) 17.439 4.166 ( 3.451 0.000 -2.813) 4.452 4.203 ( -12.470 0.000 -1.310) 12.539 4.245 ( -6.024 0.000 6.633) 8.961 4.604 ( -6.219 0.000 -1.862) 6.492 4.621 ( 7.112 0.000 -0.822) 7.159 4.900 ( -1.820 0.000 -6.328) 6.584 5.063 ( -12.382 0.000 -4.497) 13.173 5.455 ( -3.114 0.000 7.220) 7.863 5.580 ( -4.817 0.000 1.831) 5.153 5.691 ( 5.669 0.000 9.277) 10.872 5.962 ( -6.076 0.000 5.637) 8.289 6.013 ( 9.660 0.000 0.246) 9.663 6.173 ( -4.321 0.000 -2.407) 4.946 6.373 ( 9.683 0.000 -3.398) 10.262 6.678 ( -8.047 0.000 -8.884) 11.987 7.121 ( -4.101 0.000 6.999) 8.112 7.363 ( -2.017 0.000 -12.880) 13.037 7.645 ( 1.424 0.000 3.022) 3.341 8.056 ( 3.872 0.000 -0.791) 3.952 8.105 ( 6.172 0.000 -3.298) 6.997 8.684 ( -17.982 0.000 2.166) 18.112 9.054 ( -9.529 0.000 2.910) 9.964 9.163 ( 5.876 0.000 -6.073) 8.450 9.683 ( -4.768 0.000 9.540) 10.665 9.999 ( 5.608 0.000 10.848) 12.212 10.255 ( -6.806 0.000 -7.455) 10.094 10.348 ( 14.901 0.000 -3.748) 15.365 10.635 ( 2.310 0.000 0.379) 2.341 11.213 ( 5.382 0.000 3.159) 6.241 11.620 ( 10.824 0.000 -2.581) 11.127 12.422 ( -11.362 0.000 0.081) 11.362 12.590 ( -9.400 0.000 3.614) 10.071 12.806 ( -2.801 0.000 1.145) 3.026 12.890 ( -3.094 0.000 -2.378) 3.903 14.209 ( -18.005 0.000 2.872) 18.233 14.481 ( -17.642 0.000 1.000) 17.670 14.727 ( -12.130 0.000 3.396) 12.596 14.750 ( -13.143 0.000 -6.206) 14.535 15.108 ( -8.308 0.000 -2.072) 8.563 15.630 ( 11.248 0.000 -1.205) 11.313 15.745 ( 13.964 0.000 2.829) 14.247 16.079 ( 10.042 0.000 -1.643) 10.175 20.453 ( -14.921 0.000 -0.022) 14.922 20.647 ( -7.850 0.000 0.888) 7.900 22.267 ( 0.104 0.000 -1.150) 1.154 22.519 ( 4.726 0.000 -1.517) 4.964 ======================= Grid point 197 (89/160) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -15.058 0.000 28.382) 32.129 1.162 ( -24.660 0.000 6.136) 25.412 2.243 ( -38.202 0.000 16.208) 41.498 2.312 ( 3.168 0.000 -7.227) 7.891 2.523 ( -2.922 0.000 5.861) 6.549 2.673 ( 19.979 0.000 0.743) 19.993 2.757 ( -5.293 0.000 -4.018) 6.645 2.905 ( 4.966 0.000 2.262) 5.457 3.097 ( 13.677 0.000 -0.201) 13.678 3.113 ( -4.964 0.000 -11.749) 12.754 3.249 ( 6.128 0.000 3.821) 7.222 3.348 ( -0.353 0.000 -2.770) 2.792 3.577 ( 9.671 0.000 21.080) 23.193 3.772 ( -5.564 0.000 8.397) 10.073 4.061 ( -1.351 0.000 -4.488) 4.687 4.104 ( -3.559 0.000 -5.779) 6.787 4.215 ( -4.468 0.000 2.483) 5.111 4.450 ( -4.946 0.000 -3.464) 6.039 4.770 ( 7.172 0.000 5.093) 8.796 4.825 ( -6.584 0.000 -0.509) 6.604 4.877 ( -2.301 0.000 -1.193) 2.592 5.427 ( -3.926 0.000 -3.306) 5.133 5.443 ( -11.658 0.000 -4.277) 12.418 5.851 ( -14.598 0.000 6.557) 16.003 5.934 ( 6.793 0.000 9.274) 11.496 5.993 ( -9.512 0.000 2.268) 9.779 6.167 ( 9.832 0.000 -3.659) 10.490 6.502 ( -4.157 0.000 -3.746) 5.596 6.529 ( 9.370 0.000 0.486) 9.382 7.135 ( -4.395 0.000 -10.986) 11.832 7.174 ( -0.298 0.000 5.852) 5.860 7.589 ( -8.922 0.000 0.157) 8.924 8.118 ( 4.511 0.000 -1.420) 4.729 8.169 ( 8.471 0.000 -8.138) 11.747 8.392 ( -19.000 0.000 6.755) 20.165 9.019 ( -2.198 0.000 5.552) 5.971 9.216 ( 7.272 0.000 -2.937) 7.843 9.684 ( -6.624 0.000 5.318) 8.495 9.979 ( -9.297 0.000 -14.582) 17.293 10.286 ( 10.012 0.000 13.275) 16.628 10.448 ( 9.928 0.000 -13.688) 16.909 10.809 ( 8.358 0.000 9.361) 12.549 11.352 ( 8.175 0.000 0.689) 8.204 11.765 ( 8.608 0.000 -1.189) 8.690 12.225 ( -10.614 0.000 0.139) 10.614 12.432 ( -12.329 0.000 -3.510) 12.819 12.680 ( -11.081 0.000 -0.436) 11.090 12.842 ( 0.645 0.000 -3.629) 3.685 14.021 ( -10.644 0.000 6.802) 12.631 14.202 ( -14.996 0.000 0.248) 14.998 14.472 ( -11.997 0.000 -0.057) 11.997 14.586 ( -12.632 0.000 10.099) 16.172 14.969 ( -4.060 0.000 -4.058) 5.740 15.758 ( 6.078 0.000 -2.791) 6.688 15.969 ( 8.702 0.000 1.896) 8.906 16.184 ( 6.293 0.000 -3.792) 7.347 20.217 ( -13.807 0.000 3.087) 14.148 20.516 ( -7.612 0.000 -0.112) 7.613 22.251 ( 0.806 0.000 -2.444) 2.574 22.543 ( 2.752 0.000 -5.126) 5.818 ======================= Grid point 198 (90/160) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -12.738 0.000 23.626) 26.841 1.038 ( -18.189 0.000 21.530) 28.184 2.045 ( -20.651 0.000 45.391) 49.868 2.188 ( -2.905 0.000 -13.836) 14.137 2.503 ( -6.340 0.000 -0.430) 6.355 2.634 ( -2.189 0.000 -4.008) 4.567 2.843 ( -0.132 0.000 -15.130) 15.131 3.043 ( 0.222 0.000 0.625) 0.663 3.077 ( 18.704 0.000 5.960) 19.631 3.346 ( 13.538 0.000 2.900) 13.845 3.356 ( 3.791 0.000 2.325) 4.447 3.588 ( 17.988 0.000 16.989) 24.742 3.815 ( -2.033 0.000 9.990) 10.194 3.862 ( 0.315 0.000 7.483) 7.489 3.981 ( -1.830 0.000 -3.390) 3.853 4.040 ( 4.725 0.000 -4.569) 6.573 4.137 ( -4.057 0.000 -3.070) 5.088 4.365 ( -0.859 0.000 -2.990) 3.111 4.781 ( 1.646 0.000 -1.929) 2.536 4.832 ( -9.203 0.000 7.890) 12.122 4.864 ( -9.109 0.000 1.752) 9.276 5.119 ( -14.500 0.000 -1.233) 14.552 5.300 ( 5.289 0.000 -9.845) 11.176 5.707 ( -7.734 0.000 4.005) 8.710 5.923 ( -6.079 0.000 6.960) 9.240 5.990 ( -4.081 0.000 -3.370) 5.293 6.291 ( 7.331 0.000 -6.700) 9.931 6.452 ( -9.881 0.000 -12.161) 15.669 6.504 ( 3.637 0.000 5.182) 6.331 7.087 ( -0.981 0.000 1.163) 1.521 7.211 ( -3.217 0.000 5.665) 6.515 7.506 ( 4.629 0.000 -1.576) 4.890 8.163 ( 2.919 0.000 -2.369) 3.760 8.183 ( 6.534 0.000 -9.710) 11.704 8.247 ( -10.380 0.000 11.644) 15.599 9.071 ( -1.345 0.000 7.266) 7.390 9.339 ( 7.434 0.000 -0.540) 7.454 9.461 ( -14.419 0.000 -12.418) 19.030 9.737 ( 2.524 0.000 -8.235) 8.613 10.411 ( 5.048 0.000 -14.361) 15.222 10.635 ( 9.147 0.000 15.412) 17.922 11.042 ( 6.702 0.000 6.908) 9.625 11.501 ( 7.856 0.000 -0.345) 7.863 11.878 ( 6.384 0.000 -3.635) 7.346 12.035 ( -21.465 0.000 0.854) 21.482 12.117 ( -9.006 0.000 4.990) 10.296 12.462 ( -10.693 0.000 -3.170) 11.153 12.787 ( -0.429 0.000 -6.504) 6.518 13.913 ( -7.465 0.000 -0.027) 7.465 13.997 ( -8.473 0.000 -0.178) 8.475 14.464 ( 3.847 0.000 7.472) 8.405 14.568 ( -7.938 0.000 17.385) 19.112 14.861 ( -1.590 0.000 -5.846) 6.058 15.761 ( 1.290 0.000 -7.383) 7.495 16.091 ( 3.398 0.000 1.335) 3.651 16.219 ( 3.871 0.000 -4.502) 5.937 20.080 ( -7.677 0.000 5.731) 9.580 20.387 ( -6.622 0.000 -0.975) 6.694 22.241 ( 1.137 0.000 -1.849) 2.171 22.498 ( 1.014 0.000 -7.419) 7.488 ======================= Grid point 199 (91/160) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -1.870 11.986 17.687) 21.448 1.499 ( -1.465 13.504 23.926) 27.513 1.945 ( -4.346 2.418 -16.342) 17.082 2.338 ( 0.135 5.516 -15.031) 16.012 2.568 ( 1.949 1.220 2.869) 3.676 2.708 ( -3.535 13.597 30.553) 33.628 2.726 ( 0.061 2.313 -8.729) 9.031 2.952 ( 3.618 -9.203 7.771) 12.576 3.203 ( -1.471 -3.925 -1.496) 4.451 3.302 ( 6.132 -9.056 4.742) 11.921 3.576 ( -3.611 -10.392 -6.195) 12.625 3.702 ( -3.114 -10.184 2.905) 11.038 3.793 ( 1.199 -3.473 4.536) 5.837 3.938 ( 13.746 4.372 7.650) 16.327 4.015 ( -1.346 4.725 6.424) 8.087 4.118 ( -7.019 6.228 -1.139) 9.453 4.247 ( 6.550 6.104 -3.713) 9.693 4.462 ( -2.779 6.385 2.221) 7.309 4.667 ( 5.940 7.227 -3.925) 10.145 4.784 ( -19.914 15.680 -3.883) 25.642 4.913 ( -1.775 7.193 7.513) 10.551 5.267 ( 11.867 -0.663 3.976) 12.533 5.359 ( 9.750 2.640 -2.903) 10.510 5.524 ( -8.588 -9.885 3.528) 13.561 5.723 ( -0.896 1.564 3.362) 3.815 5.921 ( -2.382 -0.867 -3.109) 4.011 6.270 ( 1.231 -1.669 -4.989) 5.403 6.371 ( -3.251 12.665 -9.883) 16.390 6.803 ( 5.522 8.301 9.800) 13.980 7.155 ( -5.789 11.553 -4.629) 13.726 7.314 ( -2.178 6.411 3.820) 7.774 7.480 ( 6.286 -1.874 -0.977) 6.632 8.032 ( -0.468 -7.674 -1.297) 7.797 8.161 ( 2.915 -3.632 -5.371) 7.109 8.504 ( -4.019 13.865 6.243) 15.728 9.121 ( -5.178 2.762 -6.501) 8.758 9.193 ( 2.019 4.037 -7.673) 8.902 9.391 ( 4.552 -2.887 -2.931) 6.135 9.782 ( 3.372 0.620 5.773) 6.715 10.272 ( -4.278 1.246 -14.734) 15.393 10.830 ( -2.667 -5.200 13.672) 14.868 11.163 ( 4.471 -4.188 3.425) 7.018 11.519 ( -2.818 -2.413 -0.644) 3.765 11.815 ( 3.272 -4.811 -7.363) 9.385 11.857 ( -7.132 2.627 13.918) 15.858 12.195 ( 1.670 -0.089 12.316) 12.429 12.317 ( 0.364 1.649 -5.846) 6.085 12.663 ( -0.706 -0.837 -9.719) 9.780 13.969 ( 2.036 12.399 3.694) 13.097 14.097 ( -3.868 13.720 -3.513) 14.681 14.662 ( 2.858 5.245 3.831) 7.096 14.753 ( -0.135 5.878 1.969) 6.200 14.812 ( 2.351 -0.789 11.818) 12.076 15.646 ( 0.086 0.511 -14.494) 14.503 16.088 ( -1.126 -3.432 1.072) 3.768 16.175 ( 0.778 -3.792 -3.636) 5.311 20.120 ( 2.713 2.916 6.471) 7.598 20.303 ( -3.734 2.623 -2.263) 5.094 22.211 ( 0.510 -3.267 -0.225) 3.315 22.384 ( -0.222 -2.594 -8.083) 8.492 ======================= Grid point 200 (92/160) ======================= q-point: ( 0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 8.725 3.972 16.811) 19.352 1.733 ( 4.040 0.700 -8.170) 9.141 1.830 ( 4.308 4.275 18.585) 19.551 2.144 ( 1.141 12.185 -17.371) 21.249 2.533 ( -5.952 0.227 -4.213) 7.296 2.593 ( -1.583 2.728 -5.367) 6.226 2.892 ( -1.256 -8.320 8.855) 12.215 3.086 ( -7.674 -2.215 -0.497) 8.003 3.280 ( 4.000 -6.542 0.601) 7.691 3.399 ( -1.445 -3.131 10.574) 11.122 3.462 ( -0.238 -1.899 6.853) 7.115 3.650 ( -5.219 -9.489 0.298) 10.834 3.844 ( -10.295 1.321 -2.781) 10.746 3.880 ( 3.429 -2.765 -1.637) 4.699 3.950 ( -11.047 11.953 3.425) 16.633 4.076 ( 3.886 3.353 -7.600) 9.170 4.389 ( 1.753 14.874 2.182) 15.135 4.504 ( 3.393 6.613 -5.783) 9.418 4.589 ( 11.773 6.709 5.553) 14.644 4.825 ( 2.178 0.056 6.248) 6.617 4.970 ( -2.778 8.917 4.756) 10.481 5.303 ( 2.829 2.492 -3.514) 5.154 5.409 ( -1.335 -7.257 -5.369) 9.125 5.695 ( 11.256 -4.095 2.811) 12.303 5.797 ( 1.734 0.099 6.429) 6.659 5.887 ( 7.409 -1.565 -1.408) 7.702 6.263 ( 4.660 11.377 -10.391) 16.097 6.297 ( 4.344 4.962 2.740) 7.141 6.889 ( -7.679 5.620 -1.051) 9.574 7.051 ( 2.135 14.089 1.818) 14.366 7.285 ( -5.647 0.899 3.782) 6.856 7.571 ( 8.250 4.362 -5.653) 10.911 8.021 ( -1.224 -4.802 0.492) 4.980 8.111 ( -0.719 -2.996 -5.297) 6.128 8.649 ( 5.828 4.169 16.546) 18.031 8.953 ( 2.969 2.824 -12.577) 13.227 9.194 ( -0.422 3.043 0.777) 3.169 9.398 ( 1.838 0.232 -4.924) 5.261 9.875 ( -6.124 2.113 6.896) 9.462 10.001 ( -4.854 1.534 -9.441) 10.726 10.873 ( -7.344 -5.035 10.412) 13.701 11.144 ( -6.326 -3.416 -10.324) 12.581 11.450 ( -6.005 -3.594 11.422) 13.395 11.659 ( -7.007 -2.675 -6.190) 9.725 12.119 ( 11.804 0.220 10.563) 15.842 12.328 ( 9.134 -0.461 -4.521) 10.202 12.421 ( 6.203 0.867 9.092) 11.040 12.548 ( 2.443 0.674 -11.210) 11.493 14.023 ( 0.733 9.235 -0.961) 9.314 14.103 ( 7.006 13.301 2.473) 15.236 14.698 ( 1.642 3.634 -2.153) 4.532 14.769 ( 5.482 5.624 -2.120) 8.135 15.120 ( 5.094 -0.078 21.906) 22.490 15.455 ( 1.793 0.607 -18.891) 18.986 16.034 ( -6.458 -4.200 1.024) 7.772 16.120 ( -3.336 -4.380 -2.109) 5.896 20.261 ( 4.107 0.854 -0.730) 4.258 20.320 ( 9.067 3.634 3.389) 10.339 22.208 ( -1.986 -4.218 0.844) 4.738 22.293 ( -0.192 -1.777 -5.261) 5.556 ======================= Grid point 201 (93/160) ======================= q-point: ( 0.20 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 9.472 4.807 -6.422) 12.413 1.859 ( 6.196 1.796 12.127) 13.737 1.977 ( 2.152 13.844 -14.102) 19.879 2.127 ( 0.230 -0.797 7.438) 7.484 2.367 ( -3.084 -2.789 8.135) 9.136 2.592 ( 3.992 1.163 2.375) 4.788 2.877 ( -14.091 -2.461 -3.643) 14.761 3.002 ( 1.291 -8.446 1.766) 8.725 3.016 ( -12.133 -10.791 -12.211) 20.317 3.335 ( -15.855 1.173 -0.826) 15.920 3.485 ( -3.255 -4.959 8.762) 10.581 3.584 ( -6.574 0.257 -5.621) 8.653 3.836 ( 2.265 2.485 -1.275) 3.596 3.894 ( 7.590 7.577 8.630) 13.766 4.009 ( 8.223 -9.813 -1.172) 12.856 4.075 ( 8.845 2.327 -11.511) 14.702 4.431 ( 1.172 6.006 -12.100) 13.559 4.534 ( 7.333 11.560 8.393) 16.058 4.764 ( 2.958 9.300 2.316) 10.030 4.904 ( -4.184 4.013 3.172) 6.608 5.083 ( 12.262 -3.704 7.143) 14.666 5.238 ( -4.855 -1.734 -10.995) 12.144 5.349 ( 4.345 3.490 0.533) 5.599 5.812 ( 1.535 -5.232 2.586) 6.035 5.903 ( 1.566 -1.281 5.640) 5.992 6.084 ( 10.139 0.221 1.811) 10.302 6.213 ( 4.339 5.598 -11.441) 13.456 6.429 ( -2.109 2.895 4.309) 5.603 6.700 ( -4.229 7.305 -5.701) 10.185 7.110 ( -6.218 7.135 3.071) 9.950 7.323 ( 7.764 5.088 10.245) 13.825 7.616 ( 7.945 5.747 -9.584) 13.712 7.943 ( -5.191 -2.312 -4.145) 7.034 8.043 ( -2.634 -5.098 -1.083) 5.839 8.897 ( 12.122 3.226 -8.062) 14.911 9.098 ( 5.040 -1.705 13.799) 14.790 9.195 ( 4.876 2.254 4.548) 7.039 9.362 ( 1.544 4.068 -4.037) 5.936 9.703 ( -3.216 -1.495 -4.133) 5.446 10.003 ( -3.948 7.339 10.285) 13.238 10.814 ( -12.890 -3.262 -12.418) 18.194 10.837 ( -8.860 -3.066 5.627) 10.935 11.454 ( -5.173 -4.353 -5.479) 8.702 11.517 ( -6.325 -3.248 9.521) 11.883 12.383 ( 9.763 -3.178 -1.842) 10.431 12.476 ( 9.003 1.501 0.392) 9.135 12.516 ( 9.041 1.794 -4.681) 10.338 12.625 ( 5.040 0.813 7.799) 9.321 14.078 ( 6.840 1.308 -0.199) 6.967 14.288 ( 10.240 9.781 2.761) 14.427 14.727 ( 6.850 3.629 -4.347) 8.887 14.876 ( 8.820 4.202 -1.014) 9.822 15.281 ( 4.421 0.406 -18.302) 18.832 15.423 ( 1.862 -0.830 15.032) 15.170 15.913 ( -9.511 -5.525 3.411) 11.516 15.999 ( -8.300 -5.380 -1.561) 10.013 20.344 ( 9.033 -1.940 -3.254) 9.795 20.543 ( 10.321 3.572 3.078) 11.347 22.158 ( -2.770 -4.124 -0.678) 5.013 22.268 ( -1.600 -0.656 2.488) 3.030 ======================= Grid point 202 (94/160) ======================= q-point: ( 0.30 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 7.580 6.886 -9.946) 14.276 1.882 ( 7.747 6.693 -9.607) 14.040 2.070 ( 0.786 0.612 4.959) 5.058 2.124 ( -5.288 2.757 11.652) 13.089 2.458 ( -7.696 -1.043 -2.349) 8.114 2.587 ( -0.887 -3.114 2.025) 3.819 2.717 ( -5.847 -10.852 -5.826) 13.635 2.813 ( 4.496 3.094 13.160) 14.247 3.016 ( -3.505 -5.389 -0.883) 6.489 3.047 ( -15.379 2.084 2.681) 15.750 3.318 ( -9.959 8.364 -9.217) 15.941 3.574 ( -4.595 -4.856 11.904) 13.653 3.929 ( 3.567 -1.796 -11.338) 12.021 3.948 ( 7.478 -9.719 -7.526) 14.389 4.084 ( 9.181 1.506 -12.530) 15.606 4.201 ( 15.262 -0.425 -1.489) 15.340 4.336 ( 4.377 -5.730 -3.133) 7.862 4.647 ( -2.692 1.713 1.168) 3.398 4.838 ( 1.583 3.025 -11.324) 11.827 4.913 ( 9.248 8.444 2.074) 12.694 5.032 ( -3.535 4.315 -5.739) 8.004 5.387 ( 10.146 -4.546 7.237) 13.265 5.512 ( 7.401 2.832 7.958) 11.230 5.829 ( -3.014 -0.757 2.599) 4.051 5.954 ( -2.571 -2.791 3.355) 5.065 6.092 ( -3.460 -2.473 -9.058) 10.007 6.242 ( 4.607 4.898 2.816) 7.290 6.297 ( -9.662 -1.990 -1.939) 10.054 6.622 ( -1.196 8.949 -2.737) 9.434 7.038 ( -4.944 8.685 5.604) 11.458 7.596 ( 9.295 3.162 -6.996) 12.055 7.682 ( 6.805 2.181 7.937) 10.680 7.790 ( -2.936 -1.912 -6.711) 7.571 7.991 ( -1.859 -4.098 -0.436) 4.521 9.004 ( -2.905 2.134 0.380) 3.624 9.080 ( 12.119 7.403 -7.128) 15.890 9.305 ( 0.464 3.313 -4.323) 5.467 9.586 ( 8.896 -2.407 12.912) 15.864 9.823 ( 11.366 -3.012 8.077) 14.266 10.065 ( -1.687 7.603 8.749) 11.713 10.449 ( -11.490 -2.472 -11.609) 16.520 10.686 ( -13.504 -2.185 1.665) 13.780 11.334 ( -0.304 -4.009 -5.315) 6.665 11.473 ( -9.807 -2.478 5.291) 11.416 12.463 ( 7.368 -2.626 -4.672) 9.111 12.610 ( 10.969 -0.153 -2.939) 11.358 12.700 ( 3.103 1.102 7.159) 7.880 12.775 ( 4.752 1.613 4.477) 6.725 14.241 ( 11.514 -6.020 0.343) 12.998 14.515 ( 13.442 1.416 1.370) 13.586 14.830 ( 11.742 3.789 -5.821) 13.642 15.013 ( 6.247 0.249 -2.136) 6.607 15.191 ( 7.930 1.981 -11.688) 14.263 15.471 ( -7.343 -3.402 2.349) 8.427 15.763 ( -14.974 -8.388 1.212) 17.206 15.877 ( -5.473 -0.746 5.748) 7.971 20.478 ( 10.151 -5.083 -2.893) 11.715 20.717 ( 7.439 0.704 -0.126) 7.473 22.132 ( -0.884 -1.817 2.294) 3.057 22.278 ( -3.705 0.137 6.394) 7.391 ======================= Grid point 203 (95/160) ======================= q-point: ( 0.40 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 4.011 0.064 -1.054) 4.148 1.919 ( -6.572 0.821 -1.564) 6.805 1.983 ( 9.709 3.811 -10.297) 14.657 2.214 ( -2.970 8.226 12.733) 15.447 2.417 ( 0.340 -6.056 -6.387) 8.808 2.538 ( 4.107 -1.165 -1.004) 4.385 2.696 ( -9.112 -0.918 3.800) 9.915 2.758 ( -9.083 3.389 4.279) 10.597 2.951 ( -3.784 1.759 1.385) 4.396 3.040 ( -2.406 -2.628 -1.359) 3.813 3.160 ( 5.752 1.025 -0.255) 5.848 3.439 ( -14.042 0.242 -9.392) 16.895 3.842 ( 0.570 -6.035 -5.881) 8.446 3.926 ( 6.795 -4.133 -6.190) 10.078 4.147 ( 7.425 -3.928 -5.456) 10.016 4.427 ( 3.205 -6.041 1.980) 7.120 4.498 ( 4.311 -4.769 -0.142) 6.430 4.592 ( 11.709 -1.886 -4.811) 12.799 4.746 ( 5.049 -3.028 -7.653) 9.656 4.938 ( 1.960 9.524 -0.835) 9.759 5.140 ( 10.392 1.614 1.505) 10.624 5.503 ( -3.248 -6.958 0.539) 7.698 5.602 ( -6.995 -3.665 -3.094) 8.481 5.786 ( -3.613 3.393 2.537) 5.568 5.925 ( -5.715 -6.290 -1.910) 8.711 5.948 ( 1.253 -2.446 2.255) 3.555 6.102 ( -6.569 3.939 -7.709) 10.867 6.345 ( -0.370 8.902 2.082) 9.150 6.661 ( 7.411 5.469 7.687) 11.996 7.074 ( -3.066 7.660 10.400) 13.276 7.606 ( -0.971 -4.090 -9.007) 9.940 7.622 ( 2.935 2.953 -6.533) 7.747 7.905 ( 3.382 0.972 4.590) 5.783 7.978 ( 1.346 -2.277 -1.147) 2.883 8.955 ( -1.915 1.571 2.436) 3.474 9.159 ( 1.510 11.672 -4.692) 12.670 9.378 ( 13.042 -1.842 -2.383) 13.385 9.769 ( -0.508 2.166 0.980) 2.431 10.006 ( -4.726 3.824 6.728) 9.068 10.136 ( 2.892 1.314 -1.004) 3.332 10.286 ( 5.600 -2.846 1.021) 6.364 10.474 ( -12.021 -3.304 3.277) 12.890 11.295 ( -1.480 -3.224 -2.669) 4.440 11.331 ( -6.731 -1.174 -0.720) 6.870 12.553 ( 6.584 -4.267 -1.018) 7.912 12.719 ( 0.543 -1.536 -0.087) 1.631 12.795 ( 4.533 2.187 3.400) 6.074 12.897 ( 2.289 2.806 4.046) 5.430 14.469 ( 14.868 -12.318 -0.389) 19.312 14.783 ( 16.542 -6.156 -0.389) 17.654 14.928 ( -1.284 -5.209 -5.360) 7.584 14.987 ( 4.271 1.556 -2.556) 5.215 15.230 ( -0.078 -1.292 -6.790) 6.913 15.421 ( 6.758 5.225 1.649) 8.700 15.481 ( -16.602 -10.504 -1.180) 19.681 15.829 ( -9.032 3.719 4.534) 10.769 20.604 ( 7.428 -8.096 -1.848) 11.141 20.790 ( 2.826 -4.145 -2.392) 5.558 22.188 ( 2.174 0.927 5.055) 5.580 22.289 ( -4.728 1.286 7.382) 8.860 ======================= Grid point 204 (96/160) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -11.531 0.778 -1.189) 11.618 1.934 ( 3.268 -3.475 5.817) 7.523 2.102 ( 13.154 2.404 -10.087) 16.750 2.269 ( -1.830 -0.258 -3.152) 3.654 2.349 ( -2.096 6.663 5.199) 8.708 2.471 ( -7.788 2.146 2.822) 8.557 2.662 ( 9.290 -2.228 -3.880) 10.312 2.793 ( -0.376 4.021 2.285) 4.640 2.877 ( -1.571 -1.467 -2.345) 3.181 2.971 ( -2.503 -2.331 -2.147) 4.038 3.129 ( -0.644 -0.143 -9.253) 9.277 3.224 ( 3.184 -0.508 -8.188) 8.800 3.807 ( -2.413 -8.211 1.212) 8.644 3.964 ( 4.380 -2.309 -5.038) 7.064 4.184 ( -1.656 -7.844 1.400) 8.138 4.407 ( -1.741 -7.095 -5.514) 9.153 4.476 ( -5.791 5.270 6.068) 9.906 4.614 ( 0.997 4.537 0.505) 4.673 4.958 ( 10.839 -7.313 0.824) 13.102 5.103 ( 1.761 -2.057 -2.053) 3.398 5.233 ( -14.526 -12.395 2.337) 19.238 5.308 ( 11.716 -3.189 -5.587) 13.366 5.461 ( 1.119 2.550 -1.238) 3.048 5.727 ( -9.204 1.515 -2.023) 9.545 5.838 ( -4.098 1.659 0.378) 4.438 5.896 ( -1.131 -0.128 -3.639) 3.813 6.088 ( 7.490 3.112 2.537) 8.498 6.276 ( -3.539 7.142 -3.739) 8.804 6.982 ( 9.660 -0.446 12.096) 15.486 7.164 ( -0.888 7.908 11.337) 13.852 7.414 ( -8.772 -1.012 -7.715) 11.726 7.628 ( 7.102 2.102 -10.128) 12.547 7.952 ( 0.455 -1.604 0.522) 1.747 7.988 ( 0.820 -2.046 -1.243) 2.530 8.988 ( 1.298 4.218 2.384) 5.016 9.115 ( 1.019 3.427 -4.804) 5.989 9.525 ( -1.670 0.527 0.717) 1.893 9.662 ( -0.095 3.409 -2.992) 4.536 9.924 ( -10.057 8.587 3.899) 13.787 10.161 ( 2.812 3.186 -3.413) 5.450 10.390 ( -4.905 -4.066 6.050) 8.786 10.484 ( 9.556 -4.152 2.741) 10.773 11.147 ( -9.013 -1.014 1.792) 9.245 11.337 ( 7.155 -2.372 -5.218) 9.168 12.637 ( 1.893 -4.784 0.862) 5.217 12.663 ( -5.192 -2.558 0.391) 5.801 12.896 ( -0.438 2.945 3.410) 4.527 12.949 ( 1.711 3.466 1.331) 4.088 14.673 ( -7.883 -14.279 0.701) 16.325 14.771 ( 10.397 -12.046 -4.599) 16.564 14.993 ( 5.709 -1.416 -2.438) 6.367 15.031 ( -13.222 -2.736 -1.040) 13.542 15.156 ( 15.077 -5.410 -0.692) 16.033 15.219 ( -9.154 -6.397 -4.101) 11.897 15.610 ( -0.769 6.399 3.535) 7.350 15.705 ( 1.202 6.081 -0.293) 6.205 20.681 ( 2.897 -8.396 -0.007) 8.882 20.755 ( -2.948 -7.660 -3.374) 8.874 22.290 ( -4.132 1.845 5.783) 7.343 22.311 ( 4.406 2.080 4.881) 6.897 ======================= Grid point 205 (97/160) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -20.642 3.516 -1.192) 20.973 1.952 ( -11.084 1.034 -5.640) 12.480 2.117 ( 2.582 -3.908 8.084) 9.343 2.240 ( 10.758 0.736 -10.447) 15.014 2.376 ( -0.906 6.981 4.953) 8.608 2.651 ( 13.970 0.477 9.127) 16.694 2.763 ( 7.673 0.181 -12.857) 14.974 2.780 ( 8.496 -0.957 1.376) 8.659 2.909 ( -0.005 -0.607 -1.799) 1.899 3.009 ( 7.675 2.574 4.776) 9.399 3.067 ( -1.541 -3.430 -4.837) 6.127 3.173 ( 5.667 1.377 -7.407) 9.427 3.714 ( -11.382 -2.119 1.481) 11.672 3.981 ( -1.047 -10.747 -2.999) 11.206 4.071 ( -8.710 -8.711 2.130) 12.501 4.323 ( -3.751 3.806 1.259) 5.490 4.464 ( -9.558 -4.479 1.207) 10.624 4.558 ( -13.965 -1.448 -1.490) 14.118 4.754 ( -3.441 6.271 -2.388) 7.541 5.058 ( -0.697 -4.537 -4.188) 6.214 5.219 ( 0.895 -4.880 1.022) 5.066 5.490 ( -4.177 6.341 4.138) 8.648 5.498 ( -2.404 -3.594 2.647) 5.070 5.601 ( 9.705 0.675 -1.549) 9.851 5.835 ( 0.244 -4.195 2.377) 4.828 5.930 ( 7.024 -0.020 -0.047) 7.024 6.125 ( -2.407 3.467 -3.925) 5.764 6.318 ( 10.575 3.985 1.036) 11.349 7.057 ( -13.893 4.203 -6.824) 16.040 7.163 ( -4.566 -1.503 5.231) 7.104 7.373 ( 5.875 2.978 8.620) 10.848 7.603 ( 5.570 1.769 -12.885) 14.148 7.968 ( 0.804 -3.680 0.704) 3.832 7.993 ( 1.790 -2.144 -0.961) 2.954 9.009 ( -1.892 7.091 0.166) 7.341 9.103 ( 2.632 -0.461 -2.061) 3.375 9.325 ( -14.445 4.374 -2.152) 15.245 9.731 ( 3.909 3.136 0.087) 5.012 9.848 ( -6.860 4.923 10.786) 13.698 10.202 ( 5.115 3.959 1.220) 6.582 10.356 ( -3.952 -3.766 -0.414) 5.475 10.617 ( 5.656 -1.453 -3.859) 7.000 11.098 ( -0.473 -1.076 4.405) 4.559 11.435 ( 10.181 -3.066 -3.693) 11.255 12.534 ( -9.075 -3.339 0.720) 9.697 12.647 ( -5.059 -4.434 2.371) 7.132 12.870 ( -3.222 3.899 0.909) 5.139 12.981 ( -0.799 2.394 0.480) 2.569 14.413 ( -15.603 -8.582 -0.471) 17.814 14.739 ( -17.054 -5.118 0.960) 17.831 14.880 ( -1.797 -0.472 -3.999) 4.410 15.000 ( -7.793 -4.307 -3.654) 9.625 15.134 ( 10.517 -8.464 -0.461) 13.507 15.431 ( -9.893 5.115 1.787) 11.280 15.459 ( 16.168 -6.773 -0.292) 17.532 15.905 ( 11.981 3.891 0.535) 12.608 20.613 ( -8.699 -7.103 -2.717) 11.554 20.707 ( -1.049 -4.693 1.488) 5.034 22.279 ( -2.745 0.896 2.311) 3.699 22.439 ( 4.916 1.283 2.174) 5.526 ======================= Grid point 206 (98/160) ======================= q-point: (-0.30 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -18.641 10.018 15.762) 26.387 1.646 ( -16.520 6.150 -2.135) 17.756 2.283 ( 6.740 -0.685 2.241) 7.136 2.344 ( 12.844 -2.607 -6.130) 14.469 2.451 ( 4.145 1.254 2.940) 5.235 2.708 ( 0.863 4.740 -11.024) 12.031 2.871 ( -1.941 -0.669 -1.486) 2.534 2.919 ( 4.843 2.583 0.743) 5.539 3.049 ( 4.189 -0.832 -0.357) 4.286 3.069 ( 8.334 1.034 6.274) 10.483 3.101 ( 7.241 2.330 4.903) 9.050 3.276 ( 5.054 2.773 3.381) 6.683 3.461 ( -15.258 -0.058 -1.640) 15.346 3.729 ( -17.077 -11.364 2.184) 20.628 4.066 ( 0.250 -7.992 -2.029) 8.249 4.153 ( -7.820 -5.888 -1.633) 9.924 4.302 ( -3.609 4.800 6.139) 8.587 4.499 ( -3.548 -7.781 -7.404) 11.312 4.652 ( -1.620 4.408 0.134) 4.698 5.055 ( -4.546 8.229 -2.106) 9.634 5.101 ( -0.728 5.244 -3.825) 6.532 5.490 ( -5.445 3.029 5.506) 8.315 5.605 ( 3.504 -4.572 6.753) 8.876 5.655 ( -1.627 2.136 4.641) 5.362 5.879 ( -2.338 -6.522 4.457) 8.238 6.048 ( 5.283 1.025 -0.264) 5.388 6.101 ( 4.886 -4.132 -2.342) 6.814 6.434 ( -0.410 4.229 -4.186) 5.965 6.716 ( -7.931 3.488 -7.039) 11.163 7.178 ( -2.525 3.916 6.251) 7.797 7.453 ( -0.636 7.285 -7.127) 10.211 7.563 ( 2.122 -3.566 -0.508) 4.181 7.984 ( 1.498 -5.460 -1.721) 5.917 8.028 ( 3.633 -2.494 -1.340) 4.606 8.860 ( -18.661 6.029 3.039) 19.845 9.109 ( -0.788 3.943 1.999) 4.491 9.172 ( 4.780 5.518 -6.226) 9.595 9.758 ( -5.526 7.080 6.753) 11.237 9.955 ( 4.831 -3.852 9.322) 11.184 10.189 ( -7.284 -5.220 -6.439) 11.035 10.416 ( 13.261 4.843 0.562) 14.129 10.624 ( 2.400 -0.518 -2.925) 3.819 11.203 ( 6.218 -1.013 2.835) 6.908 11.580 ( 10.005 -3.910 -1.970) 10.921 12.367 ( -11.395 -4.422 0.938) 12.258 12.525 ( -11.861 -3.249 2.652) 12.580 12.826 ( -4.435 1.463 0.923) 4.760 12.930 ( -3.033 2.070 -2.038) 4.199 14.168 ( -13.111 -2.811 1.509) 13.494 14.492 ( -12.980 0.248 2.152) 13.160 14.737 ( -11.808 1.426 2.850) 12.230 14.769 ( -11.714 0.797 -4.970) 12.750 15.129 ( -7.791 3.112 -2.610) 8.786 15.488 ( 12.511 -9.474 1.413) 15.756 15.744 ( 14.592 -5.017 0.479) 15.438 16.074 ( 7.956 0.835 -1.414) 8.123 20.409 ( -12.034 -3.548 -0.750) 12.569 20.683 ( -3.790 1.318 1.348) 4.233 22.253 ( -1.129 -0.925 -0.998) 1.768 22.519 ( 3.863 -0.208 -1.650) 4.206 ======================= Grid point 207 (99/160) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -9.444 15.153 24.878) 30.622 1.385 ( -16.146 15.905 7.553) 23.890 2.344 ( 0.335 4.766 -7.545) 8.930 2.423 ( -22.016 13.345 5.552) 26.337 2.493 ( 2.813 -4.577 -0.410) 5.388 2.629 ( 12.795 -5.641 1.947) 14.118 2.742 ( -3.769 2.012 -2.820) 5.120 2.979 ( 2.622 2.192 -0.069) 3.418 3.075 ( 5.133 -1.154 5.242) 7.427 3.132 ( -3.457 -1.308 -13.590) 14.084 3.198 ( -2.962 -3.263 5.624) 7.145 3.359 ( 9.165 5.810 0.469) 10.862 3.555 ( 6.065 -1.593 21.485) 22.381 3.698 ( -0.007 -2.738 9.882) 10.254 3.990 ( -1.223 -7.104 -9.007) 11.536 4.086 ( 3.750 -1.921 -4.689) 6.304 4.298 ( -7.044 -3.110 1.179) 7.790 4.343 ( -3.465 1.762 3.616) 5.309 4.747 ( 6.559 3.699 3.298) 8.221 4.888 ( -6.388 5.415 -1.211) 8.461 5.099 ( 0.788 11.545 -1.769) 11.707 5.388 ( -8.296 -2.028 -3.177) 9.112 5.534 ( -7.568 6.311 -5.254) 11.168 5.772 ( -7.357 -8.671 6.018) 12.866 5.877 ( -2.801 -1.635 7.721) 8.374 6.036 ( -6.648 -0.361 -0.562) 6.681 6.158 ( 2.662 1.493 2.770) 4.122 6.423 ( 9.992 -3.389 0.096) 10.551 6.606 ( -2.217 6.119 -1.563) 6.693 7.238 ( 2.190 5.713 1.445) 6.287 7.320 ( -1.703 12.415 -5.914) 13.857 7.529 ( -9.971 -1.528 3.068) 10.544 8.008 ( 7.979 -6.786 -6.111) 12.127 8.074 ( 3.926 -4.502 -2.207) 6.369 8.598 ( -14.407 9.893 5.308) 18.265 9.180 ( 5.220 2.174 2.234) 6.080 9.194 ( 3.311 8.807 -3.747) 10.127 9.697 ( -7.761 1.627 2.286) 8.253 9.919 ( -8.615 -5.289 -14.708) 17.847 10.225 ( 10.167 -4.654 12.917) 17.084 10.533 ( 7.288 6.766 -11.112) 14.912 10.774 ( 8.719 -3.084 9.734) 13.428 11.345 ( 8.610 -1.007 -1.140) 8.744 11.721 ( 8.188 -4.207 -0.526) 9.220 12.175 ( -13.233 -5.691 2.462) 14.614 12.312 ( -15.621 -3.590 1.388) 16.088 12.693 ( -11.177 0.676 -0.133) 11.198 12.865 ( -0.554 0.793 -4.342) 4.449 14.007 ( -9.433 1.624 3.785) 10.293 14.387 ( -2.473 11.697 3.294) 12.401 14.504 ( -12.268 3.311 -2.121) 12.883 14.601 ( -12.034 1.400 9.959) 15.683 14.971 ( -5.581 1.601 -3.639) 6.852 15.695 ( 9.861 -6.179 -1.271) 11.707 15.955 ( 8.720 -2.470 0.824) 9.100 16.148 ( 5.284 -2.732 -4.346) 7.367 20.205 ( -11.636 0.049 1.764) 11.769 20.603 ( -6.131 5.394 -0.967) 8.223 22.223 ( 0.347 -2.349 -2.499) 3.447 22.530 ( 2.238 -1.416 -5.212) 5.846 ======================= Grid point 208 (100/160) ======================= q-point: (-0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -13.355 18.180 13.874) 26.483 1.331 ( -10.544 20.655 19.902) 30.560 2.158 ( -7.400 9.330 7.155) 13.893 2.298 ( -6.362 10.960 7.807) 14.885 2.521 ( -2.237 -1.129 0.337) 2.528 2.602 ( -1.019 -1.240 -4.319) 4.608 2.880 ( 0.693 -1.032 -12.467) 12.529 2.956 ( -4.000 -5.377 -1.324) 6.831 3.029 ( 14.492 -4.810 6.674) 16.664 3.171 ( 1.954 -6.539 3.161) 7.522 3.469 ( 16.933 1.721 10.858) 20.189 3.572 ( 8.036 3.988 7.501) 11.694 3.722 ( -3.674 -3.208 8.670) 9.948 3.791 ( -2.298 -10.529 -5.808) 12.242 3.924 ( 1.170 0.879 9.190) 9.306 4.175 ( 7.889 9.517 -2.562) 12.624 4.219 ( -1.958 -2.821 -1.389) 3.704 4.354 ( -2.318 6.643 7.935) 10.605 4.813 ( -3.506 4.503 -1.168) 5.825 4.859 ( 0.756 5.943 2.268) 6.406 5.117 ( -2.686 10.587 1.932) 11.092 5.186 ( -10.228 7.279 -2.838) 12.870 5.261 ( -2.755 -1.154 -9.685) 10.136 5.662 ( -10.250 -9.394 3.968) 14.458 5.774 ( -10.072 1.904 3.446) 10.814 5.981 ( -1.335 -1.631 -1.887) 2.829 6.263 ( 4.783 -3.822 -0.497) 6.142 6.553 ( 0.222 4.336 -3.051) 5.307 6.614 ( 1.955 9.433 3.916) 10.399 7.241 ( 2.979 13.667 -1.109) 14.031 7.331 ( -7.569 8.799 2.387) 11.849 7.381 ( 1.065 -6.101 2.013) 6.512 8.059 ( 3.051 -8.079 -5.089) 10.024 8.126 ( 6.628 -5.427 -3.345) 9.196 8.523 ( -2.269 17.303 2.998) 17.707 9.173 ( -2.952 8.542 0.420) 9.047 9.307 ( 6.431 -2.689 0.189) 6.973 9.467 ( -11.445 0.344 -13.422) 17.643 9.706 ( 2.857 -2.440 -5.798) 6.909 10.448 ( 3.785 2.381 -11.858) 12.673 10.600 ( 7.732 -2.592 13.757) 15.993 11.011 ( 6.207 -2.790 6.990) 9.756 11.465 ( 7.376 -3.099 -1.686) 8.177 11.832 ( 4.546 -4.971 -3.167) 7.443 11.953 ( -17.209 -3.144 7.997) 19.235 12.119 ( -8.827 0.742 6.753) 11.138 12.477 ( -10.559 1.257 -3.101) 11.076 12.784 ( -1.427 -0.727 -6.692) 6.881 13.936 ( -3.794 6.999 3.764) 8.806 14.249 ( -7.624 13.845 -5.168) 16.629 14.530 ( 2.268 5.912 9.159) 11.135 14.606 ( -2.743 4.479 13.831) 14.795 14.852 ( -2.425 0.163 -4.896) 5.466 15.759 ( 2.815 -0.916 -6.883) 7.492 16.059 ( 3.016 -3.062 0.590) 4.338 16.178 ( 4.520 -4.024 -4.682) 7.651 20.082 ( -6.211 1.825 4.591) 7.936 20.448 ( -8.598 4.806 -2.469) 10.155 22.209 ( 1.116 -2.981 -1.983) 3.750 22.477 ( 0.749 -2.153 -7.597) 7.932 ======================= Grid point 209 (101/160) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -7.205 12.612 5.919) 15.684 1.742 ( -3.678 11.144 14.025) 18.287 1.994 ( -8.149 1.256 -10.950) 13.708 2.367 ( 2.694 -1.672 -9.476) 9.992 2.539 ( 4.383 -3.837 -1.442) 6.001 2.695 ( -4.321 -5.531 1.176) 7.116 2.771 ( 2.155 -1.037 -12.652) 12.876 2.859 ( 11.458 -8.768 -3.517) 14.850 3.094 ( 2.355 -10.211 5.812) 11.983 3.278 ( -1.097 -5.129 3.405) 6.253 3.333 ( 2.505 -5.591 7.000) 9.302 3.587 ( -2.729 1.607 0.545) 3.213 3.774 ( -0.028 12.383 11.801) 17.106 4.110 ( 9.669 6.650 8.826) 14.684 4.146 ( -3.965 6.651 13.691) 15.729 4.325 ( -0.431 12.133 11.336) 16.610 4.416 ( -11.924 13.373 -2.618) 18.107 4.652 ( 7.783 12.093 0.257) 14.383 4.782 ( -3.325 3.921 -0.720) 5.191 5.042 ( -10.436 7.657 -3.563) 13.425 5.107 ( -1.834 9.001 4.008) 10.022 5.241 ( 7.623 -0.377 0.047) 7.633 5.398 ( -2.946 -1.547 -1.531) 3.663 5.506 ( 8.241 8.243 -3.243) 12.099 5.795 ( -1.842 5.051 2.489) 5.924 5.901 ( -2.488 -0.259 -0.973) 2.684 6.205 ( 2.835 -5.529 2.239) 6.604 6.532 ( -2.543 3.083 -10.298) 11.046 6.942 ( 1.857 3.988 7.546) 8.735 7.227 ( 1.884 -4.002 -2.654) 5.159 7.468 ( -4.888 8.034 2.362) 9.696 7.637 ( 7.323 11.677 -5.481) 14.833 7.869 ( -0.544 -6.298 2.990) 6.993 8.022 ( 1.920 -8.367 -2.147) 8.848 8.784 ( -7.053 11.140 2.276) 13.380 9.219 ( -0.736 3.226 -15.243) 15.598 9.287 ( 0.763 5.349 0.600) 5.436 9.364 ( 3.163 3.909 -0.568) 5.060 9.838 ( 6.314 5.270 7.888) 11.396 10.311 ( -7.565 2.106 -11.608) 14.015 10.686 ( -3.398 -7.714 12.131) 14.772 11.037 ( 4.094 -7.591 0.040) 8.625 11.435 ( -0.860 -5.627 -2.174) 6.093 11.673 ( 2.384 -8.246 -6.552) 10.798 11.956 ( -4.523 6.513 11.790) 14.208 12.204 ( -0.241 0.982 11.126) 11.172 12.366 ( 0.633 2.812 -5.190) 5.936 12.634 ( 0.053 -2.042 -8.617) 8.856 14.265 ( 4.040 12.814 6.668) 14.999 14.414 ( -5.114 17.070 -1.794) 17.909 14.740 ( 1.646 -1.248 15.676) 15.812 14.856 ( -1.272 9.742 -1.194) 9.897 14.954 ( 2.349 11.452 1.983) 11.858 15.632 ( 0.473 -2.285 -12.971) 13.179 15.974 ( -0.428 -7.636 0.741) 7.684 16.053 ( 0.308 -7.760 -4.099) 8.782 20.259 ( 4.483 10.493 4.572) 12.293 20.418 ( -4.856 8.204 -2.835) 9.947 22.114 ( 0.056 -5.739 -0.659) 5.777 22.294 ( -0.028 -6.244 -8.524) 10.566 ======================= Grid point 210 (102/160) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 5.291 3.773 12.247) 13.865 1.795 ( 2.956 4.001 -4.891) 6.977 1.906 ( -3.271 3.625 16.324) 17.038 2.280 ( -1.397 0.105 -7.320) 7.452 2.549 ( -1.586 1.435 -7.921) 8.205 2.602 ( 1.918 -3.426 -5.613) 6.850 2.715 ( -0.827 -6.295 -1.119) 6.447 2.898 ( 3.160 -11.082 -6.215) 13.093 3.142 ( -7.326 -8.475 -6.411) 12.907 3.191 ( 0.932 -11.576 4.617) 12.497 3.440 ( -7.143 -5.644 -0.717) 9.132 3.569 ( 3.841 -4.556 3.064) 6.700 3.947 ( -6.140 17.655 13.411) 23.005 4.056 ( -9.014 11.611 1.875) 14.818 4.131 ( -7.418 11.400 0.956) 13.634 4.350 ( -3.658 17.005 0.953) 17.420 4.531 ( 12.523 -0.243 11.747) 17.172 4.701 ( -0.639 6.214 -4.090) 7.466 4.736 ( -4.382 12.329 3.765) 13.615 4.926 ( 2.338 9.127 0.313) 9.427 5.129 ( -2.862 4.960 1.600) 5.946 5.316 ( -3.051 0.721 -0.928) 3.269 5.374 ( 7.171 1.543 -0.473) 7.351 5.638 ( 9.688 -0.761 -6.019) 11.431 5.812 ( -0.598 1.680 2.722) 3.254 5.918 ( 6.490 3.452 2.877) 7.894 6.290 ( -0.329 -5.222 3.293) 6.182 6.421 ( 4.908 1.981 -8.879) 10.336 6.931 ( -7.299 -0.434 1.106) 7.395 7.297 ( 8.531 6.282 -0.672) 10.616 7.388 ( -6.393 7.546 0.958) 9.936 7.714 ( 8.241 8.381 -5.959) 13.178 7.879 ( -2.858 -7.751 2.687) 8.687 8.017 ( 1.042 -5.750 -3.139) 6.633 8.789 ( 0.485 8.687 10.566) 13.687 9.077 ( 1.851 7.693 -8.436) 11.566 9.296 ( 1.674 7.506 -1.783) 7.895 9.430 ( 4.317 3.607 -1.597) 5.848 9.957 ( -9.801 5.577 -2.492) 11.549 10.052 ( -1.313 3.396 1.522) 3.946 10.732 ( -4.768 -7.787 10.141) 13.646 11.037 ( -3.004 -6.939 -9.741) 12.331 11.346 ( -6.771 -6.060 8.256) 12.277 11.543 ( -6.640 -8.228 -7.269) 12.831 12.154 ( 7.970 3.060 10.164) 13.274 12.323 ( 6.431 0.016 0.140) 6.433 12.446 ( 7.479 1.474 4.278) 8.741 12.559 ( 4.310 0.183 -9.797) 10.705 14.267 ( -7.071 13.229 -1.904) 15.120 14.422 ( 3.900 15.616 5.084) 16.879 14.825 ( 0.188 8.186 -2.080) 8.448 14.900 ( 5.543 5.723 -1.137) 8.048 15.124 ( 3.221 0.956 19.917) 20.198 15.456 ( 0.427 -0.749 -16.396) 16.419 15.906 ( -6.979 -7.934 -1.395) 10.658 15.982 ( -5.208 -8.766 -0.871) 10.234 20.335 ( 0.479 6.552 -2.454) 7.013 20.445 ( 8.302 8.180 3.801) 12.259 22.095 ( -2.290 -6.237 0.237) 6.649 22.222 ( 1.689 -5.119 -4.870) 7.265 ======================= Grid point 211 (103/160) ======================= q-point: ( 0.20 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 6.659 3.931 7.468) 10.750 1.889 ( 5.697 3.478 5.883) 8.897 2.069 ( -0.125 1.757 4.464) 4.799 2.219 ( 1.261 -4.894 10.994) 12.100 2.359 ( -5.719 9.896 -11.882) 16.487 2.521 ( 0.288 -6.110 -6.901) 9.222 2.762 ( 0.860 -10.876 1.222) 10.978 2.825 ( -4.734 -6.413 -10.516) 13.195 2.863 ( -9.496 -2.892 -1.671) 10.066 3.304 ( 4.021 -12.465 6.081) 14.440 3.319 ( -7.982 -3.461 1.838) 8.892 3.537 ( -4.214 -2.919 -3.556) 6.239 3.835 ( 0.261 -0.366 -3.268) 3.299 3.953 ( -14.377 6.587 1.874) 15.925 4.181 ( 1.973 16.052 5.559) 17.102 4.277 ( 2.999 15.418 -8.686) 17.948 4.568 ( -5.769 8.015 -9.347) 13.597 4.724 ( -3.426 1.050 4.008) 5.376 4.840 ( 5.036 -4.096 6.902) 9.475 5.001 ( 6.207 7.080 3.196) 9.943 5.061 ( -2.637 4.600 -3.303) 6.247 5.257 ( -1.100 4.311 -2.034) 4.892 5.485 ( 5.566 6.821 2.902) 9.270 5.707 ( 5.354 -3.891 -3.233) 7.366 5.864 ( 1.743 -2.380 1.663) 3.386 6.124 ( 7.551 1.845 6.482) 10.121 6.242 ( 1.118 -2.328 -9.593) 9.934 6.367 ( -7.817 -7.509 0.709) 10.862 6.871 ( 0.413 8.633 -1.448) 8.764 7.289 ( -5.633 8.387 0.520) 10.117 7.461 ( 8.682 5.581 3.742) 10.978 7.756 ( 4.994 7.070 -6.565) 10.864 7.851 ( -2.509 -8.805 1.143) 9.226 7.968 ( -0.633 0.719 -5.210) 5.297 9.002 ( 8.114 6.100 4.354) 11.046 9.132 ( 7.623 4.626 8.979) 12.654 9.256 ( -2.070 5.153 -7.251) 9.133 9.490 ( 5.037 7.865 -0.282) 9.344 9.726 ( -2.449 3.816 -5.085) 6.813 10.120 ( -4.539 2.872 10.692) 11.966 10.728 ( -12.953 -4.740 -4.325) 14.456 10.778 ( -4.288 -1.343 -0.251) 4.501 11.313 ( -5.155 -9.246 -6.811) 12.588 11.411 ( -5.103 -6.826 9.351) 12.652 12.335 ( 7.157 -0.829 -2.110) 7.508 12.497 ( 8.390 0.348 5.613) 10.101 12.560 ( 8.324 2.138 -7.022) 11.098 12.637 ( 6.939 0.189 5.391) 8.789 14.156 ( -3.114 6.107 -0.865) 6.910 14.493 ( -0.710 8.961 2.303) 9.280 14.850 ( 6.898 7.994 -3.871) 11.246 14.982 ( 5.871 4.632 -1.398) 7.607 15.285 ( 1.792 0.080 -13.350) 13.470 15.386 ( 1.281 -2.792 10.688) 11.121 15.763 ( -8.380 -8.338 1.780) 11.954 15.839 ( -9.374 -9.255 0.714) 13.193 20.342 ( 4.021 2.083 -3.272) 5.587 20.613 ( 5.242 2.662 2.991) 6.596 22.066 ( -0.680 -4.119 0.676) 4.229 22.226 ( 0.473 -3.318 1.635) 3.729 ======================= Grid point 212 (104/160) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -0.848 3.273 -3.259) 4.696 2.003 ( 1.797 3.209 -1.617) 4.017 2.122 ( -0.946 5.903 -1.935) 6.283 2.213 ( 1.610 5.055 7.024) 8.802 2.411 ( -4.058 -5.196 -7.057) 9.658 2.488 ( 0.704 -4.786 2.246) 5.334 2.535 ( 0.105 -4.938 5.371) 7.297 2.809 ( 0.163 -3.419 2.440) 4.204 2.852 ( 1.839 -7.640 2.621) 8.283 3.155 ( -14.943 5.505 4.337) 16.504 3.407 ( -0.740 -4.606 -5.977) 7.582 3.483 ( -2.898 -1.774 8.701) 9.341 3.732 ( -3.771 -5.924 -3.060) 7.660 3.827 ( 1.104 -7.388 -6.312) 9.780 4.165 ( 3.410 6.940 -11.072) 13.505 4.298 ( -3.594 3.765 -14.957) 15.837 4.334 ( 7.195 9.691 -2.944) 12.424 4.701 ( -4.775 -1.196 4.226) 6.488 4.753 ( -5.926 -4.378 -9.340) 11.896 5.038 ( 0.214 -2.086 4.527) 4.989 5.164 ( -1.348 8.727 2.248) 9.112 5.331 ( 9.935 0.783 2.131) 10.191 5.593 ( 1.451 2.478 2.771) 3.991 5.754 ( 1.740 -3.950 1.112) 4.457 5.882 ( 0.644 -3.959 0.438) 4.035 6.015 ( -6.274 -6.555 -15.860) 18.272 6.238 ( -0.160 2.015 4.625) 5.047 6.403 ( 3.893 5.875 5.299) 8.818 6.819 ( -2.194 9.432 -4.198) 10.555 7.224 ( -3.505 8.177 2.364) 9.205 7.636 ( 7.609 -1.126 -4.854) 9.096 7.703 ( -5.707 3.414 1.191) 6.756 7.848 ( 0.933 -3.829 1.922) 4.385 7.932 ( 5.805 6.481 -6.084) 10.617 9.072 ( -4.659 4.322 -2.540) 6.844 9.183 ( 11.683 2.170 -5.276) 13.002 9.440 ( 2.632 7.000 6.738) 10.066 9.566 ( 8.242 2.703 6.548) 10.867 9.823 ( 11.366 3.378 3.162) 12.272 10.133 ( -4.865 -1.999 4.176) 6.715 10.436 ( -10.788 0.855 -2.533) 11.115 10.660 ( -12.055 1.641 -0.385) 12.172 11.209 ( 1.306 -8.039 -4.204) 9.166 11.395 ( -7.501 -5.092 4.853) 10.284 12.401 ( 5.372 -2.087 -3.337) 6.659 12.643 ( 10.250 2.694 -4.288) 11.432 12.694 ( 2.002 -1.929 7.973) 8.444 12.803 ( 6.588 0.829 3.377) 7.450 14.146 ( 2.492 -2.302 -0.157) 3.396 14.500 ( 0.682 -2.107 0.880) 2.383 14.918 ( 3.844 0.103 -7.784) 8.681 14.992 ( -0.199 0.619 -0.747) 0.990 15.273 ( 9.439 5.264 -7.450) 13.126 15.381 ( -2.372 -5.628 -2.814) 6.725 15.551 ( -14.415 -9.127 0.422) 17.067 15.856 ( -0.799 -1.373 9.348) 9.482 20.377 ( 3.956 -3.959 -2.890) 6.299 20.676 ( -0.006 -4.658 0.220) 4.663 22.106 ( 2.342 -0.375 3.553) 4.272 22.265 ( -1.322 -1.456 5.681) 6.012 ======================= Grid point 213 (105/160) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -2.556 3.914 -0.181) 4.678 1.940 ( -6.623 0.988 -2.326) 7.088 2.062 ( 7.812 3.462 -9.262) 12.601 2.292 ( 1.020 -4.910 -7.588) 9.096 2.377 ( 2.874 4.569 7.054) 8.882 2.496 ( 3.287 -0.469 3.098) 4.542 2.663 ( -1.298 -3.032 4.215) 5.352 2.829 ( -4.773 -4.888 0.064) 6.832 2.895 ( -5.059 3.635 3.054) 6.938 3.011 ( -5.177 -0.581 9.258) 10.623 3.233 ( -1.278 3.779 -8.480) 9.372 3.433 ( -13.372 -0.889 -5.059) 14.324 3.684 ( 3.674 -10.577 -10.408) 15.287 3.750 ( 2.763 -9.916 -2.816) 10.672 4.086 ( 2.281 -5.444 -9.449) 11.141 4.270 ( 11.904 -2.982 -1.841) 12.409 4.334 ( -1.780 -14.280 -7.314) 16.143 4.645 ( 0.786 6.477 -1.054) 6.609 4.704 ( 1.380 3.510 5.074) 6.323 5.064 ( -7.575 -11.318 7.799) 15.694 5.139 ( -2.099 8.137 1.495) 8.535 5.436 ( 3.812 3.853 -3.734) 6.582 5.539 ( -2.249 -3.216 -12.752) 13.342 5.753 ( -5.050 -6.261 0.815) 8.085 5.837 ( 1.500 -0.728 3.151) 3.565 5.956 ( 3.988 1.328 0.450) 4.227 6.220 ( -1.747 6.862 -5.758) 9.126 6.492 ( -0.667 5.030 1.245) 5.225 6.791 ( 3.404 6.411 2.728) 7.754 7.240 ( -0.024 7.551 5.602) 9.402 7.516 ( -4.563 -4.165 -8.397) 10.425 7.718 ( 1.091 4.822 0.703) 4.993 7.887 ( 3.220 -3.746 -2.858) 5.706 7.991 ( 3.956 5.091 -1.706) 6.669 9.008 ( -0.271 2.761 0.285) 2.788 9.254 ( 0.304 -3.577 -5.777) 6.801 9.490 ( 7.151 12.769 0.165) 14.636 9.814 ( 1.193 0.628 3.839) 4.069 10.051 ( 8.919 4.857 3.477) 10.735 10.118 ( 5.524 -5.268 2.474) 8.024 10.337 ( -6.580 1.449 7.772) 10.286 10.414 ( -12.364 4.050 -2.652) 13.278 11.203 ( 0.478 -5.545 -2.187) 5.980 11.289 ( -6.151 -2.989 -0.388) 6.850 12.463 ( 4.699 -3.571 -0.540) 5.926 12.699 ( -1.124 -1.115 -0.926) 1.834 12.822 ( 5.073 0.314 4.418) 6.735 12.938 ( 3.877 1.145 3.191) 5.150 14.232 ( 7.119 -8.970 0.641) 11.469 14.558 ( 4.191 -13.234 -0.174) 13.883 14.762 ( -7.698 -7.968 -1.937) 11.248 15.051 ( 2.612 -0.392 -2.250) 3.470 15.174 ( -11.915 -9.472 -4.531) 15.882 15.261 ( 2.229 -0.124 -9.351) 9.614 15.578 ( 10.569 8.015 2.584) 13.514 15.900 ( -5.517 2.657 5.868) 8.481 20.406 ( 3.167 -9.795 -1.974) 10.482 20.632 ( -3.149 -10.478 -2.307) 11.181 22.219 ( 3.976 1.769 5.482) 7.000 22.309 ( -2.637 0.446 7.019) 7.511 ======================= Grid point 214 (106/160) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -10.289 -0.146 -0.789) 10.320 1.920 ( 2.099 2.778 3.796) 5.151 2.125 ( 7.543 -0.177 -7.012) 10.300 2.208 ( 3.898 -5.484 -12.930) 14.576 2.482 ( 0.964 3.576 3.525) 5.113 2.563 ( -7.782 4.265 3.621) 9.584 2.601 ( 5.184 -0.833 0.517) 5.276 2.818 ( 2.176 -1.911 4.651) 5.479 2.884 ( -5.685 3.494 -2.503) 7.126 2.928 ( -2.230 -1.207 -0.669) 2.623 3.110 ( -5.206 -2.620 -9.217) 10.905 3.222 ( 8.050 0.377 -10.052) 12.883 3.651 ( 0.528 -6.594 0.684) 6.650 3.848 ( 3.973 -13.071 2.801) 13.946 3.934 ( -6.602 -9.967 -8.877) 14.890 4.201 ( 4.332 -14.377 -10.204) 18.155 4.543 ( 1.472 -2.998 9.152) 9.742 4.660 ( -0.672 -6.987 8.018) 10.656 4.792 ( 1.332 7.847 0.203) 7.962 4.934 ( -12.993 -8.541 5.481) 16.487 5.207 ( 6.171 2.895 -3.221) 7.539 5.281 ( 3.788 0.666 -14.191) 14.703 5.518 ( 3.794 2.605 0.665) 4.650 5.697 ( -6.971 -2.756 3.650) 8.337 5.891 ( 0.462 1.810 2.443) 3.076 5.964 ( -3.834 5.256 -4.450) 7.882 6.175 ( 6.011 5.382 0.772) 8.105 6.404 ( -4.972 4.547 -4.886) 8.323 6.966 ( 6.973 -1.203 6.383) 9.530 7.302 ( -3.311 -4.045 -6.810) 8.585 7.371 ( 0.299 5.988 5.217) 7.948 7.729 ( 1.696 7.161 -4.386) 8.567 7.892 ( 1.862 -3.923 -2.428) 4.975 7.998 ( 0.508 2.949 -2.185) 3.705 9.053 ( 3.428 0.223 0.961) 3.567 9.138 ( -3.817 -0.916 -4.649) 6.085 9.617 ( 2.264 7.774 1.843) 8.304 9.738 ( -4.097 4.304 -2.673) 6.516 10.135 ( -5.523 9.255 2.392) 11.040 10.250 ( -0.532 -0.620 0.017) 0.817 10.309 ( -4.237 2.817 5.512) 7.502 10.384 ( 11.285 -3.916 4.283) 12.689 11.115 ( -7.186 -2.094 1.560) 7.646 11.268 ( 5.434 -4.197 -4.262) 8.081 12.538 ( 2.661 -4.138 1.592) 5.171 12.617 ( -6.124 -2.475 -1.182) 6.710 12.932 ( 0.538 0.557 4.088) 4.161 13.002 ( 0.830 1.206 1.312) 1.966 14.371 ( 0.575 -12.538 3.086) 12.925 14.505 ( 0.630 -12.397 -3.210) 12.821 14.827 ( 7.690 -12.647 -0.501) 14.810 14.838 ( -8.915 -14.035 -0.534) 16.636 15.116 ( 2.240 2.986 -4.282) 5.681 15.175 ( -1.782 1.606 -6.376) 6.812 15.775 ( -1.576 7.741 3.496) 8.639 15.835 ( 2.312 5.808 0.981) 6.328 20.452 ( 3.957 -12.460 -0.070) 13.073 20.531 ( -4.060 -12.883 -3.574) 13.972 22.331 ( -3.634 1.777 5.781) 7.056 22.355 ( 3.877 1.727 4.762) 6.379 ======================= Grid point 215 (107/160) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -13.619 5.073 0.984) 14.567 1.972 ( -7.674 0.641 -4.630) 8.985 2.060 ( 4.183 -1.473 4.744) 6.494 2.201 ( 8.045 -5.388 -10.461) 14.254 2.494 ( -2.946 3.956 -0.932) 5.019 2.640 ( 9.347 -1.405 10.131) 13.856 2.708 ( 8.318 -4.625 -2.374) 9.809 2.789 ( 6.207 1.974 -3.621) 7.452 2.945 ( -0.140 2.630 2.912) 3.926 2.965 ( -0.408 -4.862 -8.221) 9.560 3.043 ( 9.587 1.584 8.002) 12.588 3.234 ( 8.951 2.668 -11.123) 14.525 3.683 ( -11.112 -12.415 -3.318) 16.989 3.710 ( -0.118 -1.416 7.027) 7.169 3.905 ( 1.845 -6.750 -3.504) 7.826 4.246 ( 9.908 -12.948 -6.902) 17.704 4.322 ( -26.718 -8.128 2.628) 28.050 4.638 ( -8.501 8.670 -2.806) 12.462 4.795 ( -3.592 -1.747 5.654) 6.923 5.029 ( 10.652 3.618 4.820) 12.239 5.157 ( 3.750 -1.132 -3.198) 5.056 5.372 ( 2.797 -7.179 -1.036) 7.774 5.556 ( 0.669 -5.872 -2.339) 6.356 5.624 ( -3.308 4.705 4.882) 7.544 5.834 ( -3.832 5.394 -1.635) 6.815 5.972 ( 4.395 3.746 2.009) 6.114 6.215 ( -4.910 4.355 -5.658) 8.665 6.380 ( 8.488 1.658 3.005) 9.156 7.023 ( -7.910 -5.675 -5.854) 11.359 7.173 ( 2.130 1.696 1.594) 3.155 7.499 ( 2.267 7.120 7.069) 10.287 7.662 ( 2.391 3.536 -10.399) 11.241 7.917 ( 0.783 -1.040 1.763) 2.192 7.981 ( 1.406 1.497 -3.030) 3.661 9.018 ( -4.453 -1.972 -1.215) 5.019 9.130 ( 1.905 -1.092 -0.653) 2.291 9.507 ( -8.618 11.805 -1.703) 14.714 9.769 ( 3.193 1.875 3.423) 5.043 10.034 ( -8.625 9.807 4.609) 13.850 10.242 ( -6.570 -1.795 0.261) 6.816 10.306 ( 3.603 0.995 2.147) 4.311 10.598 ( 10.648 0.656 -2.922) 11.061 11.070 ( -0.940 -1.498 3.693) 4.095 11.340 ( 7.580 -5.914 -2.601) 9.960 12.474 ( -8.524 -2.205 -0.673) 8.830 12.576 ( -2.697 -2.304 2.980) 4.633 12.925 ( -4.243 1.344 1.561) 4.717 13.007 ( -1.929 -0.382 0.141) 1.971 14.251 ( -8.640 -5.901 -0.397) 10.470 14.546 ( -5.580 -11.550 0.428) 12.834 14.744 ( 9.158 -9.351 -2.463) 13.319 14.984 ( -5.417 1.369 -0.666) 5.627 15.051 ( -1.549 -1.871 -1.822) 3.037 15.188 ( 15.931 -13.970 -1.045) 21.214 15.609 ( -12.818 9.982 0.695) 16.261 16.003 ( 8.432 3.986 0.697) 9.353 20.420 ( -4.013 -10.535 -3.002) 11.666 20.541 ( 4.892 -10.659 1.724) 11.854 22.310 ( -4.434 1.965 2.558) 5.484 22.458 ( 3.024 0.320 2.010) 3.645 ======================= Grid point 216 (108/160) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -8.004 13.600 13.475) 20.751 1.778 ( -9.395 6.500 0.793) 11.452 2.226 ( 9.966 -5.945 -3.138) 12.021 2.257 ( 7.439 -4.307 0.736) 8.627 2.474 ( 2.522 1.295 -2.960) 4.098 2.741 ( 2.107 -3.166 -6.617) 7.632 2.825 ( 2.159 -3.605 -4.830) 6.402 2.897 ( 4.666 -7.959 -6.845) 11.488 2.930 ( 3.232 -5.029 7.197) 9.356 3.109 ( 10.196 5.847 14.350) 18.549 3.264 ( 10.952 5.751 -1.746) 12.493 3.353 ( 9.468 3.131 -1.037) 10.026 3.516 ( -4.916 0.316 1.088) 5.045 3.654 ( -22.321 13.389 6.113) 26.736 3.868 ( 1.091 -9.847 -0.442) 9.917 3.958 ( -4.283 -11.880 -4.412) 13.377 4.325 ( 4.186 -5.577 -4.974) 8.565 4.483 ( -7.078 9.112 1.279) 11.609 4.764 ( -1.081 5.449 2.944) 6.287 5.134 ( -6.663 2.579 0.275) 7.150 5.278 ( 6.813 7.323 -0.016) 10.002 5.366 ( 4.364 -13.761 2.268) 14.613 5.559 ( -4.106 -2.672 3.647) 6.107 5.671 ( 1.030 -7.111 4.013) 8.230 5.759 ( -3.049 4.236 -0.859) 5.289 6.035 ( 1.260 -0.425 -3.034) 3.312 6.122 ( 2.830 4.527 -0.871) 5.410 6.502 ( -0.179 1.524 0.240) 1.554 6.811 ( -5.179 5.371 -4.008) 8.470 7.235 ( 0.681 2.392 3.065) 3.947 7.593 ( 4.110 2.273 -7.230) 8.622 7.607 ( 0.240 6.777 4.127) 7.938 7.926 ( -0.281 -0.139 -1.175) 1.216 7.976 ( 1.913 -1.320 -3.152) 3.916 8.907 ( -10.734 1.586 2.908) 11.233 9.104 ( -0.833 -1.374 -1.018) 1.902 9.429 ( 1.320 12.863 -0.881) 12.961 9.852 ( -3.795 -4.069 5.591) 7.888 9.969 ( -1.820 9.905 5.007) 11.247 10.080 ( -6.369 -2.920 -9.204) 11.567 10.449 ( 6.039 -3.160 7.883) 10.421 10.680 ( 7.324 6.614 -7.213) 12.224 11.162 ( 6.670 -3.125 1.594) 7.536 11.456 ( 7.523 -7.795 -0.245) 10.836 12.306 ( -11.173 -0.254 0.879) 11.211 12.500 ( -10.379 0.553 3.132) 10.856 12.850 ( -6.459 0.549 0.700) 6.520 12.939 ( -3.539 -1.454 -2.351) 4.490 14.132 ( -4.210 0.080 -0.632) 4.258 14.494 ( -0.739 0.372 3.007) 3.119 14.732 ( -7.284 -2.995 -2.304) 8.206 14.800 ( -12.670 3.040 1.601) 13.127 15.163 ( 11.807 -5.603 -0.850) 13.097 15.394 ( -6.344 4.503 -0.896) 7.831 15.522 ( 16.479 -12.511 1.667) 20.757 16.106 ( 4.093 0.908 -1.801) 4.563 20.324 ( -4.352 -4.067 -1.170) 6.071 20.640 ( 3.384 -5.637 1.732) 6.799 22.247 ( -3.844 0.702 -0.766) 3.982 22.500 ( 1.708 -1.714 -1.824) 3.030 ======================= Grid point 217 (109/160) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -1.883 17.475 17.532) 24.825 1.691 ( -7.478 13.219 9.545) 17.938 2.359 ( 7.640 -4.631 -5.972) 10.746 2.373 ( 6.945 -5.446 -2.544) 9.185 2.509 ( 5.266 -3.468 -0.989) 6.382 2.610 ( -2.947 -2.304 -10.952) 11.574 2.756 ( -1.524 -2.517 -4.146) 5.084 2.914 ( 3.494 -6.141 -5.038) 8.677 3.044 ( 0.457 -1.810 -2.201) 2.886 3.126 ( -13.136 5.573 6.146) 15.537 3.285 ( -2.537 3.830 0.636) 4.638 3.501 ( 8.785 7.837 2.639) 12.065 3.601 ( 5.385 6.427 22.899) 24.386 3.687 ( 1.323 -1.725 0.781) 2.310 3.857 ( 0.857 2.548 -0.323) 2.708 3.986 ( 6.608 -6.350 3.785) 9.915 4.275 ( 2.331 6.771 -2.271) 7.513 4.507 ( -1.146 9.122 7.779) 12.043 4.863 ( 6.765 5.408 3.377) 9.296 5.013 ( -5.473 5.539 0.520) 7.804 5.217 ( -4.695 -2.785 -5.143) 7.500 5.365 ( -4.358 1.711 -4.127) 6.241 5.582 ( -7.314 -3.471 3.936) 9.002 5.700 ( -0.666 1.338 -2.859) 3.226 5.769 ( 4.619 -6.823 8.697) 11.980 5.960 ( -2.929 -4.193 -4.654) 6.915 6.271 ( 0.204 6.684 7.792) 10.268 6.417 ( 2.672 2.278 -4.194) 5.470 6.763 ( -0.017 8.736 1.120) 8.807 7.274 ( 0.502 -0.220 0.314) 0.632 7.546 ( -0.035 6.091 -4.414) 7.522 7.651 ( -4.085 8.741 4.972) 10.854 7.910 ( 2.538 -2.360 -4.254) 5.487 7.960 ( 2.353 -4.407 -4.290) 6.586 8.790 ( -6.587 9.138 6.720) 13.117 9.127 ( 4.046 -1.589 -0.562) 4.383 9.465 ( 1.589 10.332 0.287) 10.457 9.721 ( -10.589 -1.477 -1.433) 10.787 9.813 ( -7.132 -2.452 -13.639) 15.585 10.162 ( 10.423 0.957 9.207) 13.940 10.595 ( 0.825 -5.276 0.920) 5.418 10.777 ( 10.885 7.296 0.837) 13.130 11.285 ( 9.024 -5.371 -5.000) 11.631 11.586 ( 6.662 -8.491 1.354) 10.877 12.118 ( -13.964 2.208 4.605) 14.869 12.319 ( -13.714 2.654 3.066) 14.301 12.704 ( -10.305 0.231 -0.449) 10.317 12.852 ( -2.356 -2.184 -4.207) 5.293 14.096 ( -0.417 6.475 1.176) 6.595 14.543 ( -7.891 3.833 6.267) 10.781 14.595 ( -5.300 1.951 3.873) 6.848 14.673 ( 1.209 7.228 2.225) 7.658 15.117 ( -8.225 12.825 -3.653) 15.668 15.506 ( 13.408 -11.403 0.404) 17.606 15.813 ( 13.753 -10.828 0.750) 17.520 16.100 ( 0.765 -2.329 -5.587) 6.101 20.241 ( -4.763 3.492 0.600) 5.936 20.667 ( -1.967 0.343 -0.365) 2.030 22.174 ( -1.801 -1.787 -2.786) 3.768 22.476 ( 0.580 -3.826 -5.348) 6.601 ======================= Grid point 218 (110/160) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -5.778 17.997 9.369) 21.097 1.688 ( -11.876 14.460 10.761) 21.586 2.257 ( -3.814 0.386 -9.996) 10.706 2.419 ( 5.176 -1.770 -9.810) 11.232 2.491 ( 3.081 -5.785 -4.071) 7.716 2.635 ( 4.438 1.965 5.796) 7.560 2.749 ( 0.665 -5.383 -3.477) 6.442 2.855 ( 1.065 -6.472 -0.469) 6.576 2.976 ( 6.394 -1.107 -5.890) 8.764 3.158 ( -4.347 3.851 10.818) 12.279 3.359 ( 3.829 -13.709 0.066) 14.234 3.558 ( -0.094 -3.496 -0.266) 3.507 3.673 ( 1.138 6.637 3.525) 7.601 3.887 ( 4.733 14.009 8.407) 17.010 4.003 ( 1.274 5.199 16.124) 16.989 4.154 ( 0.803 3.381 13.208) 13.657 4.426 ( 12.849 13.630 -0.833) 18.750 4.548 ( -6.051 9.976 9.762) 15.213 4.917 ( -4.649 3.228 -2.927) 6.372 5.013 ( 2.716 6.971 3.113) 8.103 5.153 ( 7.358 -0.906 -6.487) 9.851 5.256 ( -6.944 3.952 2.982) 8.528 5.429 ( -6.373 2.827 -4.636) 8.372 5.589 ( -5.814 5.722 -3.994) 9.083 5.846 ( -5.769 1.644 1.629) 6.216 5.925 ( -0.526 -3.543 3.423) 4.955 6.184 ( -3.848 -2.007 0.370) 4.356 6.595 ( 9.434 0.008 -2.720) 9.818 6.818 ( 1.867 8.970 3.938) 9.973 7.236 ( -3.222 -4.461 0.903) 5.577 7.505 ( -2.616 8.026 1.434) 8.563 7.623 ( 0.593 13.636 -2.564) 13.888 7.870 ( -0.763 -8.781 -2.257) 9.098 7.995 ( 4.210 -5.067 -2.096) 6.913 8.831 ( -0.627 11.901 4.822) 12.857 9.213 ( 5.527 -2.183 0.426) 5.957 9.399 ( -7.367 3.867 -3.563) 9.051 9.485 ( -4.093 6.168 -15.113) 16.829 9.677 ( 3.242 0.905 1.286) 3.604 10.444 ( 8.390 -2.546 1.125) 8.839 10.564 ( -2.927 -1.836 4.115) 5.373 10.956 ( 5.427 -0.949 2.246) 5.950 11.371 ( 9.428 -6.473 -5.220) 12.571 11.679 ( 2.857 -8.796 -1.535) 9.375 11.982 ( -9.956 5.180 8.406) 14.022 12.162 ( -10.062 3.362 7.830) 13.186 12.507 ( -9.170 1.427 -3.233) 9.827 12.747 ( -2.411 -2.844 -6.217) 7.249 14.143 ( 1.715 10.772 4.797) 11.916 14.476 ( -2.929 8.973 1.069) 9.499 14.590 ( -6.751 0.342 15.220) 16.654 14.843 ( 10.107 14.225 0.303) 17.453 14.943 ( -6.312 11.028 -2.952) 13.045 15.683 ( 7.487 -7.125 -4.092) 11.116 15.961 ( 2.023 -6.584 -0.470) 6.904 16.055 ( 4.969 -7.305 -6.314) 10.859 20.194 ( -1.870 8.924 2.421) 9.434 20.564 ( -7.295 5.851 -2.120) 9.589 22.128 ( 0.285 -4.323 -2.653) 5.080 22.398 ( -0.231 -5.487 -7.813) 9.550 ======================= Grid point 219 (111/160) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -9.149 6.040 -1.675) 11.090 1.960 ( -9.578 -0.147 2.143) 9.816 2.004 ( -3.617 7.799 -3.783) 9.392 2.343 ( 3.169 1.275 -7.293) 8.054 2.438 ( 1.602 -7.286 -2.158) 7.766 2.591 ( 1.957 -2.516 -0.606) 3.245 2.673 ( 6.339 -6.750 -5.833) 10.943 2.734 ( 3.036 -0.994 -9.566) 10.085 2.920 ( -0.893 -6.731 -1.292) 6.912 3.029 ( 0.428 -12.275 -2.293) 12.495 3.260 ( 5.700 -0.695 8.415) 10.188 3.480 ( 5.631 -7.758 -1.404) 9.688 4.180 ( 2.786 3.332 9.486) 10.433 4.232 ( -6.470 1.505 11.513) 13.292 4.383 ( -5.950 29.125 17.401) 34.445 4.598 ( 0.933 14.667 9.679) 17.597 4.771 ( -7.375 14.231 7.998) 17.913 4.831 ( -1.256 2.545 -1.280) 3.113 4.918 ( 8.135 11.285 2.592) 14.151 5.144 ( -5.623 3.808 -2.223) 7.146 5.214 ( -0.362 -1.713 3.061) 3.526 5.251 ( -3.157 2.891 3.824) 5.740 5.353 ( 1.654 -2.711 -2.867) 4.278 5.673 ( 5.692 1.937 -6.704) 9.005 5.864 ( 4.177 2.415 0.987) 4.925 5.986 ( -2.159 6.955 2.708) 7.769 6.048 ( -2.127 -5.328 0.585) 5.767 6.496 ( -1.460 -6.920 -12.320) 14.206 6.990 ( -3.270 2.102 3.801) 5.437 7.137 ( 8.062 -3.811 -1.772) 9.091 7.601 ( -1.227 1.698 -1.087) 2.360 7.630 ( 0.720 -5.965 -2.338) 6.447 7.841 ( 4.134 -0.493 1.254) 4.348 7.945 ( -0.506 1.629 -4.143) 4.480 8.964 ( -6.311 6.879 3.432) 9.946 9.195 ( -0.723 -4.019 -3.926) 5.665 9.408 ( 3.438 8.548 4.855) 10.415 9.580 ( 0.189 9.240 -1.303) 9.333 9.998 ( 7.040 9.481 7.643) 14.067 10.317 ( -8.291 -2.526 -1.171) 8.746 10.568 ( -1.376 -1.721 2.607) 3.414 10.857 ( 2.132 -9.438 -9.019) 13.228 11.316 ( 0.636 -4.056 -0.843) 4.192 11.486 ( 0.878 -9.059 -6.349) 11.097 12.102 ( -3.184 6.618 8.337) 11.110 12.226 ( -2.326 0.602 7.961) 8.316 12.428 ( 1.382 3.061 -4.177) 5.360 12.576 ( 1.069 -3.451 -6.645) 7.563 14.469 ( 2.140 7.423 12.158) 14.405 14.684 ( 2.456 -3.237 16.117) 16.622 14.797 ( -3.499 17.980 -2.236) 18.453 15.116 ( -2.747 13.602 -0.976) 13.911 15.196 ( -0.213 9.634 -4.548) 10.656 15.555 ( 3.106 -3.705 -7.627) 9.031 15.763 ( -0.549 -12.309 0.457) 12.330 15.859 ( 0.667 -10.373 -5.570) 11.793 20.523 ( 3.868 12.828 3.143) 13.762 20.611 ( -4.067 8.686 -0.822) 9.626 21.995 ( -0.196 -4.635 -2.618) 5.327 22.128 ( 0.020 -8.921 -8.174) 12.100 ======================= Grid point 220 (112/160) ======================= q-point: ( 0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.024 1.530 11.058) 11.210 1.801 ( -3.402 -3.505 1.403) 5.082 2.036 ( -0.734 8.764 6.622) 11.009 2.293 ( -1.564 3.613 -5.195) 6.518 2.461 ( 3.799 -10.105 -1.100) 10.852 2.512 ( -1.133 -3.079 -8.036) 8.680 2.646 ( 0.464 -1.019 -9.252) 9.320 2.768 ( 8.209 -1.564 -3.208) 8.951 2.886 ( -4.588 -11.361 1.944) 12.406 3.014 ( 0.291 -8.494 -1.106) 8.571 3.367 ( -3.679 -0.855 -2.595) 4.583 3.458 ( 1.012 -4.256 -5.141) 6.750 4.134 ( -11.474 4.895 2.090) 12.648 4.363 ( 3.761 -5.397 9.718) 11.735 4.401 ( -10.908 15.393 9.507) 21.126 4.554 ( -12.066 18.218 4.778) 22.368 4.715 ( -5.476 11.516 2.385) 12.973 4.860 ( -4.910 10.967 5.209) 13.097 4.996 ( -6.512 9.090 3.987) 11.872 5.090 ( 4.992 5.775 -2.261) 7.961 5.196 ( -4.231 1.984 2.325) 5.220 5.337 ( 0.420 -3.873 5.286) 6.566 5.377 ( 7.464 3.056 1.985) 8.306 5.679 ( 8.681 4.107 -13.274) 16.383 5.873 ( -3.617 3.501 -1.441) 5.236 5.991 ( 5.952 2.743 5.193) 8.362 6.105 ( -4.228 -10.317 8.416) 13.969 6.318 ( -0.883 -10.584 -13.835) 17.442 6.992 ( 2.283 6.925 1.626) 7.471 7.320 ( 13.072 -2.917 -3.116) 13.752 7.511 ( -3.424 2.872 -2.173) 4.969 7.659 ( 0.013 -8.507 0.327) 8.513 7.901 ( 2.884 4.224 -5.242) 7.324 7.923 ( 3.543 -1.709 1.104) 4.086 8.966 ( -0.635 7.440 7.968) 10.920 9.158 ( 1.675 -0.597 -2.668) 3.206 9.520 ( 3.103 11.764 1.149) 12.221 9.588 ( 4.285 10.671 -2.885) 11.856 10.076 ( -12.050 4.513 -6.800) 14.554 10.130 ( -5.134 2.918 8.799) 10.597 10.596 ( 2.762 -3.181 5.018) 6.552 10.857 ( 4.186 -9.811 -7.197) 12.868 11.222 ( -8.894 -4.740 3.048) 10.529 11.345 ( -8.133 -9.588 -5.428) 13.695 12.229 ( 4.692 3.681 7.468) 9.558 12.321 ( 4.633 -0.513 4.065) 6.185 12.481 ( 7.371 1.878 -0.643) 7.633 12.551 ( 5.753 -0.954 -7.281) 9.329 14.554 ( -9.372 13.664 -0.248) 16.571 14.718 ( -0.051 12.261 5.177) 13.309 14.938 ( 4.873 -2.528 10.125) 11.518 14.991 ( -3.894 4.778 -2.833) 6.783 15.213 ( 0.515 8.341 5.813) 10.180 15.440 ( -1.763 0.740 -10.238) 10.415 15.711 ( -4.734 -10.531 -4.244) 12.302 15.761 ( -6.356 -11.711 -0.921) 13.356 20.517 ( -4.200 9.721 -1.313) 10.670 20.623 ( 1.764 7.150 2.881) 7.908 21.974 ( 0.472 -4.308 -1.008) 4.450 22.086 ( 3.884 -7.265 -4.220) 9.256 ======================= Grid point 221 (113/160) ======================= q-point: ( 0.20 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.625 -1.630 9.924) 10.077 1.979 ( 6.726 -3.255 20.391) 21.716 2.130 ( 3.510 4.915 4.164) 7.336 2.174 ( -3.306 6.052 -4.463) 8.214 2.408 ( 0.408 -3.068 -7.018) 7.671 2.503 ( -5.324 -4.367 -0.948) 6.951 2.560 ( 7.717 -3.104 -8.471) 11.872 2.731 ( -8.301 -5.239 -9.468) 13.638 2.802 ( -1.487 0.402 -0.824) 1.747 3.053 ( 4.516 -9.167 1.854) 10.386 3.249 ( -2.786 -2.554 0.543) 3.819 3.398 ( -0.787 -8.055 -4.622) 9.320 3.964 ( -11.060 9.914 1.597) 14.939 4.197 ( -19.997 15.185 2.579) 25.241 4.468 ( -0.131 -1.562 -7.509) 7.671 4.504 ( -3.142 1.372 10.782) 11.314 4.594 ( -5.303 9.042 -3.305) 10.991 4.740 ( -11.158 6.119 -4.763) 13.588 4.876 ( -8.920 1.193 5.637) 10.619 5.067 ( -9.335 0.631 0.997) 9.410 5.191 ( 4.119 6.019 2.361) 7.666 5.349 ( -1.849 1.469 1.249) 2.671 5.533 ( 3.973 0.580 -0.964) 4.129 5.721 ( 13.563 3.184 -9.279) 16.739 5.813 ( -3.795 -2.178 -2.843) 5.218 6.061 ( -1.903 -9.512 -7.453) 12.233 6.175 ( 3.535 -0.455 0.908) 3.678 6.258 ( 5.730 -1.643 11.654) 13.090 7.065 ( 2.403 9.999 -0.469) 10.295 7.434 ( 1.272 5.137 -5.290) 7.482 7.475 ( 4.820 -4.482 0.076) 6.582 7.658 ( 1.578 -7.951 -0.457) 8.119 7.893 ( -0.052 5.688 -1.649) 5.922 8.001 ( 5.793 1.156 -1.509) 6.097 9.114 ( 3.749 4.045 8.089) 9.790 9.191 ( 2.948 0.743 2.013) 3.646 9.468 ( -1.940 13.142 -8.838) 15.955 9.671 ( 4.930 8.070 1.070) 9.517 9.855 ( -1.317 7.194 -5.816) 9.344 10.101 ( -8.440 -4.254 8.607) 12.783 10.650 ( -8.997 -1.181 -1.767) 9.244 10.809 ( 4.616 3.537 0.767) 5.866 11.082 ( -8.358 -11.363 -6.471) 15.519 11.238 ( -3.402 -9.401 7.973) 12.787 12.355 ( 4.322 2.491 0.279) 4.996 12.483 ( 5.320 -1.834 6.891) 8.897 12.598 ( 8.894 1.467 -5.998) 10.827 12.634 ( 8.755 -0.404 1.767) 8.940 14.333 ( -11.509 10.560 -1.605) 15.702 14.643 ( -10.037 4.070 -1.518) 10.937 14.997 ( -6.718 -2.454 2.807) 7.683 15.019 ( 4.857 5.995 -1.998) 7.970 15.318 ( 0.122 -0.780 1.927) 2.082 15.337 ( 4.774 3.687 -6.610) 8.948 15.570 ( -8.759 -9.690 -1.667) 13.168 15.652 ( -1.524 -7.963 4.977) 9.513 20.430 ( -3.687 5.937 -2.127) 7.305 20.634 ( -3.818 -1.111 1.597) 4.285 22.010 ( 3.585 -0.765 1.385) 3.919 22.137 ( 3.279 -4.909 1.434) 6.075 ======================= Grid point 222 (114/160) ======================= q-point: ( 0.30 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -1.451 0.977 7.667) 7.864 2.053 ( -1.878 1.140 -4.518) 5.023 2.276 ( 3.230 5.877 -0.213) 6.709 2.284 ( -2.381 -1.084 0.793) 2.734 2.329 ( 1.319 3.516 -3.118) 4.882 2.407 ( 6.013 -4.863 4.166) 8.785 2.492 ( -4.610 1.560 -1.021) 4.973 2.664 ( 9.197 -8.235 -2.367) 12.569 2.777 ( -2.214 0.049 2.972) 3.706 3.158 ( 6.259 -14.023 -3.241) 15.695 3.239 ( -4.793 1.624 5.455) 7.441 3.387 ( 0.891 -6.512 3.342) 7.373 3.765 ( -11.246 3.816 -2.779) 12.196 3.839 ( -20.895 11.468 -0.873) 23.851 4.200 ( -13.964 -7.300 -15.668) 22.221 4.355 ( -16.177 -8.787 -3.499) 18.739 4.453 ( -1.537 9.076 -9.401) 13.157 4.705 ( 5.395 10.308 3.193) 12.065 4.782 ( -7.405 -3.448 3.164) 8.760 4.936 ( -7.095 -0.705 3.825) 8.091 5.307 ( -3.087 3.991 4.552) 6.796 5.358 ( 6.178 -0.336 0.456) 6.204 5.563 ( 5.074 -2.268 -4.537) 7.175 5.702 ( -4.354 -5.259 -0.664) 6.860 5.820 ( 8.822 0.430 -11.530) 14.524 5.897 ( 2.536 -3.145 -9.710) 10.517 6.333 ( 3.256 5.690 6.583) 9.291 6.475 ( 4.553 0.751 7.183) 8.538 7.023 ( -3.014 10.448 -4.159) 11.642 7.384 ( -0.656 7.351 -2.273) 7.723 7.508 ( -0.293 -10.055 -3.310) 10.590 7.691 ( 1.934 -6.437 -1.278) 6.841 7.882 ( 0.383 9.010 1.644) 9.167 8.075 ( 5.358 3.786 -2.879) 7.165 9.143 ( -5.287 2.006 -2.569) 6.211 9.198 ( 1.772 -0.459 -4.212) 4.592 9.548 ( 9.806 6.073 10.402) 15.531 9.733 ( 0.686 8.885 0.558) 8.929 9.879 ( 8.234 -0.736 -3.165) 8.851 10.083 ( -3.514 -0.872 6.881) 7.776 10.445 ( -8.977 2.912 -1.419) 9.544 10.775 ( -10.158 5.724 -0.978) 11.701 11.012 ( 5.651 -8.700 -1.303) 10.456 11.256 ( -4.074 -8.120 4.060) 9.951 12.403 ( 1.931 2.429 -0.546) 3.151 12.616 ( 0.037 -5.257 6.170) 8.107 12.707 ( 9.610 3.164 -2.579) 10.441 12.804 ( 8.009 -0.842 1.985) 8.294 14.166 ( -5.961 4.299 -0.370) 7.359 14.442 ( -10.712 -4.024 -0.168) 11.444 14.814 ( -12.529 -4.315 -0.177) 13.253 15.028 ( -5.002 -4.746 -0.833) 6.945 15.225 ( -2.027 -2.799 -7.828) 8.557 15.328 ( 6.125 -0.836 -13.885) 15.199 15.544 ( 6.088 6.616 5.479) 10.529 15.807 ( 2.745 -3.650 10.681) 11.616 20.334 ( -4.108 0.301 -2.716) 4.934 20.540 ( -7.156 -7.559 -0.700) 10.433 22.118 ( 4.507 1.501 4.449) 6.509 22.220 ( 1.470 -2.623 5.338) 6.127 ======================= Grid point 223 (115/160) ======================= q-point: ( 0.40 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -6.101 1.636 -4.694) 7.870 2.002 ( 0.840 3.351 -0.374) 3.475 2.118 ( 2.099 2.264 -11.339) 11.752 2.218 ( -2.284 -1.221 -6.906) 7.375 2.380 ( 5.188 0.144 -0.336) 5.200 2.569 ( 4.560 0.377 3.269) 5.624 2.606 ( 5.932 1.716 6.394) 8.889 2.758 ( 1.653 1.235 -1.662) 2.649 2.867 ( 4.165 -6.598 9.173) 12.043 3.090 ( -15.158 6.114 3.858) 16.794 3.206 ( 3.206 -8.286 -7.583) 11.681 3.382 ( -11.043 -4.794 -2.158) 12.230 3.520 ( -9.023 -0.153 -4.776) 10.210 3.607 ( -2.771 -2.197 -1.261) 3.755 3.853 ( -1.065 -15.306 -7.361) 17.017 3.982 ( -17.688 -14.646 -6.180) 23.781 4.356 ( 2.210 6.497 -7.019) 9.817 4.685 ( -10.918 -7.826 4.855) 14.284 4.853 ( 8.372 8.708 1.043) 12.125 4.923 ( -3.170 3.686 7.795) 9.186 5.266 ( -2.743 3.866 0.398) 4.757 5.452 ( 3.851 -2.270 -1.346) 4.668 5.517 ( 3.428 -0.176 -16.660) 17.010 5.675 ( -0.222 -3.134 0.786) 3.239 5.816 ( 3.805 1.595 1.262) 4.315 5.964 ( 5.882 -1.071 0.214) 5.983 6.371 ( -0.546 7.101 -3.418) 7.900 6.548 ( -1.352 0.108 -0.017) 1.356 6.930 ( -1.227 7.385 -2.471) 7.884 7.331 ( -4.086 -6.604 -8.321) 11.382 7.436 ( 0.707 4.478 2.582) 5.217 7.731 ( 1.493 -4.829 3.886) 6.376 7.916 ( 2.753 7.676 -2.734) 8.601 8.100 ( 1.604 3.433 -3.138) 4.920 9.038 ( -2.252 0.385 -2.073) 3.085 9.160 ( 0.293 -4.721 -5.956) 7.605 9.754 ( 1.032 11.744 2.703) 12.095 9.822 ( 4.997 1.523 6.108) 8.037 9.993 ( 6.546 -5.733 2.979) 9.197 10.145 ( -0.586 -3.419 5.717) 6.687 10.342 ( -0.942 8.901 0.511) 8.965 10.604 ( -7.560 7.222 -0.788) 10.485 11.077 ( 2.310 -5.230 -0.741) 5.765 11.201 ( -4.143 -5.419 -0.045) 6.821 12.427 ( 1.143 0.485 0.832) 1.495 12.624 ( -4.473 -6.079 2.194) 7.860 12.844 ( 6.490 2.199 1.346) 6.983 12.940 ( 4.663 -1.014 1.961) 5.159 14.126 ( 0.297 -1.081 1.554) 1.916 14.307 ( -4.556 -9.610 0.048) 10.636 14.629 ( -7.405 -4.160 -0.347) 8.501 14.804 ( -15.868 -13.294 0.615) 20.710 15.200 ( 7.290 4.331 -8.693) 12.143 15.284 ( 5.209 0.665 -10.723) 11.940 15.743 ( 8.380 7.395 4.587) 12.081 15.925 ( -1.502 -0.563 6.691) 6.880 20.239 ( -2.396 -5.099 -2.759) 6.273 20.394 ( -6.749 -10.971 -2.852) 13.192 22.255 ( 3.708 1.560 5.953) 7.185 22.305 ( -0.313 -0.711 6.801) 6.846 ======================= Grid point 224 (116/160) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -6.570 2.505 -3.898) 8.039 2.000 ( 3.375 1.299 -5.189) 6.324 2.044 ( 3.378 -7.216 -13.177) 15.399 2.097 ( 0.155 -2.547 -6.736) 7.203 2.492 ( 4.590 1.504 3.091) 5.734 2.628 ( -6.435 2.783 0.295) 7.017 2.678 ( 5.661 4.510 -1.268) 7.348 2.828 ( 0.143 2.194 0.772) 2.331 2.907 ( -1.292 0.477 1.527) 2.057 2.952 ( -4.868 1.600 1.589) 5.365 3.047 ( -5.893 -2.301 -4.753) 7.913 3.200 ( 6.045 -2.799 -8.039) 10.440 3.487 ( 5.381 -11.438 1.082) 12.687 3.557 ( -9.392 -8.738 2.552) 13.080 3.742 ( 2.750 -9.491 -3.981) 10.653 3.866 ( 3.589 -13.696 -6.262) 15.481 4.425 ( 7.875 -3.940 5.175) 10.214 4.502 ( -16.104 -8.238 4.494) 18.639 4.958 ( -3.747 8.736 4.575) 10.549 5.004 ( 6.710 7.824 1.815) 10.466 5.253 ( 3.866 2.392 -5.597) 7.211 5.336 ( -0.105 5.013 -13.311) 14.224 5.490 ( -1.433 -5.427 2.113) 5.997 5.643 ( -2.223 -4.309 -1.850) 5.190 5.935 ( 3.215 3.498 6.061) 7.701 6.038 ( -0.358 1.199 2.317) 2.633 6.311 ( 1.436 6.923 -3.685) 7.973 6.461 ( -3.633 0.839 -5.652) 6.771 6.942 ( 3.294 -0.490 0.386) 3.352 7.132 ( -3.175 -8.932 -9.475) 13.402 7.548 ( 3.582 8.316 5.505) 10.597 7.808 ( 3.102 -4.284 -0.787) 5.347 7.898 ( -0.669 8.394 -1.578) 8.567 8.067 ( -0.284 2.355 -3.154) 3.947 9.004 ( 0.149 -2.710 -1.882) 3.302 9.089 ( 0.358 -4.018 -5.403) 6.743 9.800 ( -0.911 8.724 3.177) 9.329 9.854 ( -2.997 6.409 0.867) 7.128 10.136 ( -1.954 -6.193 4.750) 8.045 10.159 ( 0.750 -5.428 3.653) 6.585 10.451 ( 9.235 8.505 2.350) 12.773 10.493 ( -5.081 9.152 0.107) 10.469 11.063 ( -3.556 -2.470 1.344) 4.533 11.164 ( 2.241 -5.559 -2.643) 6.551 12.470 ( 1.823 -2.077 2.002) 3.412 12.543 ( -5.230 -4.384 -0.354) 6.834 12.940 ( 1.028 0.757 2.998) 3.258 13.000 ( 0.219 -1.143 0.884) 1.461 14.181 ( 0.623 -5.643 2.963) 6.404 14.270 ( 1.192 -9.577 -1.133) 9.717 14.596 ( -2.035 -7.400 0.041) 7.674 14.603 ( 0.737 -7.474 -0.533) 7.529 15.192 ( 0.591 3.399 -5.288) 6.314 15.220 ( -1.308 1.992 -6.352) 6.784 15.907 ( -1.219 4.568 3.500) 5.882 15.932 ( 2.398 3.187 2.389) 4.649 20.213 ( 2.771 -9.009 -1.329) 9.519 20.265 ( -2.993 -11.035 -3.647) 12.001 22.360 ( -2.102 0.986 5.703) 6.157 22.377 ( 2.293 0.371 4.973) 5.489 ======================= Grid point 225 (117/160) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -3.929 5.889 0.060) 7.079 1.949 ( 1.105 -5.004 -5.969) 7.867 2.021 ( 4.486 -2.836 -4.602) 7.025 2.068 ( 3.513 -4.142 -2.188) 5.855 2.542 ( -6.032 1.148 0.186) 6.143 2.608 ( 1.959 -1.908 7.681) 8.153 2.628 ( 3.434 -0.914 -2.567) 4.384 2.817 ( -1.784 -7.273 -8.259) 11.149 2.886 ( 5.565 7.153 -2.939) 9.527 3.014 ( 2.126 2.979 4.823) 6.055 3.125 ( 10.933 5.064 4.701) 12.933 3.253 ( 9.491 -0.934 -5.871) 11.199 3.458 ( 0.140 -6.753 0.248) 6.759 3.644 ( 4.876 -6.214 4.080) 8.890 3.777 ( 0.889 -7.303 -6.450) 9.784 3.895 ( 13.638 -16.401 -4.387) 21.777 4.252 ( -15.912 4.048 3.766) 16.845 4.688 ( 5.969 -8.407 11.528) 15.466 4.859 ( -7.506 9.409 -1.232) 12.099 5.080 ( 3.448 -0.551 -9.865) 10.465 5.210 ( 0.565 6.139 2.618) 6.697 5.289 ( 3.275 1.268 -5.039) 6.141 5.428 ( -5.345 -5.153 -0.009) 7.425 5.637 ( -0.004 -3.979 2.983) 4.973 5.969 ( -4.370 6.298 0.250) 7.670 6.064 ( 0.519 3.642 2.973) 4.730 6.294 ( -3.277 3.128 -4.985) 6.736 6.387 ( 4.584 -0.795 -0.167) 4.655 6.944 ( -0.754 -1.035 -2.650) 2.943 7.128 ( 8.930 -5.689 -0.941) 10.630 7.636 ( -0.426 5.764 2.674) 6.369 7.735 ( -0.749 2.188 -8.521) 8.829 7.939 ( 0.478 3.435 4.687) 5.831 8.030 ( 0.705 2.106 -3.665) 4.285 8.978 ( -0.940 -1.543 -0.846) 1.995 9.058 ( 1.457 -4.697 -3.417) 5.989 9.752 ( -6.053 10.540 0.962) 12.193 9.834 ( -3.179 4.113 4.052) 6.591 10.084 ( -6.976 -2.807 2.572) 7.948 10.216 ( 1.561 -4.742 0.049) 4.992 10.413 ( -3.040 11.289 -0.561) 11.705 10.656 ( 11.221 3.201 0.032) 11.669 11.037 ( -1.363 -1.318 2.327) 3.002 11.196 ( 3.820 -7.411 -1.021) 8.400 12.447 ( -4.625 -0.113 -0.197) 4.630 12.533 ( 0.101 -2.341 3.264) 4.018 12.936 ( -4.379 0.087 1.309) 4.572 12.973 ( -3.493 -2.160 -0.466) 4.133 14.178 ( -0.817 -1.163 0.060) 1.422 14.332 ( 6.081 -8.007 -0.701) 10.079 14.600 ( 6.498 -3.689 0.081) 7.472 14.793 ( 14.633 -12.875 0.967) 19.515 15.072 ( -8.685 2.633 -2.605) 9.442 15.099 ( -5.435 0.589 -2.438) 5.986 15.816 ( -8.031 9.247 0.737) 12.270 16.042 ( 4.087 -0.557 0.840) 4.210 20.220 ( 2.087 -7.277 -2.494) 7.970 20.305 ( 7.996 -10.424 0.716) 13.157 22.357 ( -4.020 2.396 2.604) 5.356 22.447 ( 0.662 -1.354 2.115) 2.597 ======================= Grid point 226 (118/160) ======================= q-point: (-0.30 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 1.811 11.248 8.959) 14.494 1.921 ( -2.374 6.335 3.137) 7.457 2.053 ( 6.305 -7.981 -2.417) 10.454 2.188 ( 5.640 -3.893 5.182) 8.592 2.488 ( 2.276 0.877 -4.642) 5.244 2.648 ( -1.853 -3.658 -2.641) 4.878 2.680 ( 1.208 -6.810 -6.224) 9.304 2.777 ( 1.263 -7.928 7.954) 11.301 2.874 ( 6.316 3.951 -9.712) 12.240 3.218 ( 3.384 0.378 -1.096) 3.577 3.278 ( 9.366 -1.066 6.296) 11.335 3.408 ( 9.034 2.094 0.241) 9.277 3.606 ( 11.145 6.354 -0.724) 12.850 3.634 ( -5.959 -6.936 2.030) 9.367 3.725 ( 4.368 -8.078 -2.397) 9.492 4.081 ( 1.725 10.314 7.393) 12.807 4.212 ( 11.552 3.652 0.708) 12.137 4.690 ( -5.488 9.000 -0.134) 10.542 4.849 ( -2.765 1.679 6.198) 6.991 5.088 ( 3.852 -13.307 0.975) 13.888 5.178 ( -4.265 1.523 2.074) 4.981 5.316 ( 4.135 -10.279 -7.340) 13.290 5.408 ( 3.446 5.114 1.070) 6.259 5.632 ( -5.723 -2.674 2.884) 6.944 5.873 ( -3.846 5.624 -3.634) 7.722 6.024 ( -3.949 -1.272 -4.837) 6.373 6.245 ( 3.119 6.705 1.726) 7.594 6.484 ( 1.641 -3.114 3.866) 5.229 6.946 ( 2.478 7.655 -0.768) 8.082 7.264 ( 4.356 -2.068 1.211) 4.972 7.575 ( 0.400 -0.344 -5.910) 5.933 7.694 ( -1.358 0.020 0.351) 1.403 7.968 ( -0.046 3.362 -0.240) 3.370 8.004 ( -0.298 2.994 -1.786) 3.499 8.953 ( -3.176 2.332 2.342) 4.584 9.058 ( 1.559 -3.025 0.398) 3.427 9.668 ( -5.352 9.709 1.689) 11.214 9.796 ( -6.622 -0.801 2.720) 7.204 9.969 ( -6.720 -1.610 -2.130) 7.231 10.218 ( 0.770 -0.475 -1.831) 2.042 10.405 ( 2.499 8.050 0.754) 8.463 10.821 ( 10.377 4.065 -2.980) 11.536 11.071 ( 3.328 -4.450 -0.397) 5.571 11.272 ( 4.449 -8.955 1.992) 10.196 12.361 ( -6.635 4.942 1.165) 8.355 12.522 ( -7.437 0.502 4.169) 8.541 12.845 ( -6.888 -0.926 -0.075) 6.951 12.878 ( -4.375 -3.631 -2.818) 6.345 14.193 ( 4.164 5.823 -1.840) 7.392 14.489 ( 13.043 -2.739 -0.669) 13.344 14.680 ( -3.645 0.417 2.175) 4.265 14.862 ( -12.865 2.152 2.701) 13.320 15.003 ( 7.278 -6.965 1.370) 10.167 15.167 ( 18.806 -14.620 -1.363) 23.860 15.671 ( -8.401 13.541 -0.730) 15.952 16.077 ( 0.538 -4.154 -1.954) 4.622 20.266 ( 4.809 -0.709 -0.520) 4.888 20.476 ( 9.160 -8.911 1.578) 12.876 22.286 ( -5.199 2.982 -0.848) 6.053 22.445 ( -1.141 -3.460 -1.720) 4.029 ======================= Grid point 227 (119/160) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 3.269 11.314 7.798) 14.124 1.959 ( -1.163 12.550 9.910) 16.033 2.188 ( 7.578 -8.817 3.018) 12.012 2.315 ( 2.545 -1.088 1.533) 3.164 2.453 ( 3.266 -0.746 -9.306) 9.891 2.551 ( 0.069 -1.843 -5.796) 6.083 2.632 ( -0.645 -7.804 -5.103) 9.347 2.812 ( 2.510 -3.229 -3.626) 5.466 2.952 ( 5.122 -5.899 1.354) 7.929 3.076 ( 0.878 -10.443 -18.706) 21.441 3.269 ( -10.107 1.434 -2.697) 10.559 3.526 ( -3.728 -8.756 -5.300) 10.893 3.697 ( 7.356 5.758 22.385) 24.256 3.805 ( 7.608 4.211 10.336) 13.507 4.027 ( 14.954 13.110 7.568) 21.278 4.204 ( 1.422 25.361 10.674) 27.552 4.449 ( 12.401 6.199 1.264) 13.921 4.692 ( 1.558 7.578 5.045) 9.236 4.922 ( 4.922 -0.131 3.605) 6.103 5.050 ( -6.791 -3.633 3.094) 8.300 5.136 ( -0.083 0.637 -5.493) 5.531 5.380 ( 2.960 -8.713 0.428) 9.212 5.477 ( 4.619 -7.391 1.552) 8.852 5.532 ( -6.722 -1.904 1.089) 7.071 5.798 ( 0.433 2.227 -1.606) 2.780 5.893 ( -2.325 -2.585 -5.694) 6.672 6.390 ( 5.737 4.745 4.552) 8.726 6.474 ( -3.955 1.832 -2.247) 4.904 6.973 ( 0.074 11.099 1.339) 11.180 7.279 ( -2.508 -0.041 -0.884) 2.660 7.562 ( 2.633 -2.912 -3.447) 5.224 7.663 ( -1.261 -6.066 0.744) 6.240 7.916 ( -5.371 4.188 -1.529) 6.980 7.993 ( 2.273 3.255 -2.299) 4.588 8.964 ( -0.996 6.780 6.716) 9.595 9.117 ( 2.226 -0.537 3.228) 3.957 9.569 ( -9.295 1.177 -0.264) 9.373 9.697 ( -5.861 -1.465 1.644) 6.261 9.824 ( -2.426 5.630 -6.520) 8.950 10.253 ( 5.063 -0.950 0.294) 5.160 10.482 ( 2.979 3.524 2.217) 5.119 10.968 ( 9.631 8.573 -1.404) 12.970 11.104 ( 5.716 -11.181 -7.272) 14.511 11.388 ( 5.714 -9.762 1.769) 11.449 12.241 ( -10.091 8.079 3.510) 13.395 12.388 ( -12.635 2.961 4.089) 13.606 12.698 ( -8.721 -0.770 -1.293) 8.850 12.775 ( -3.210 -4.750 -4.183) 7.097 14.268 ( 4.381 9.351 0.269) 10.329 14.541 ( -6.948 -2.899 3.001) 8.104 14.682 ( -6.216 6.512 7.855) 11.948 14.852 ( 14.159 9.164 3.125) 17.153 15.222 ( 14.750 -11.884 -0.735) 18.956 15.409 ( 3.027 2.598 -4.151) 5.757 15.591 ( 6.723 -1.635 1.236) 7.029 16.013 ( -2.315 -6.565 -5.773) 9.043 20.349 ( 4.184 6.566 0.803) 7.827 20.622 ( 5.205 -4.394 1.035) 6.891 22.170 ( -4.799 1.761 -3.540) 6.218 22.371 ( -2.392 -5.893 -5.202) 8.216 ======================= Grid point 228 (120/160) ======================= q-point: (-0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -6.040 9.723 4.137) 12.171 1.982 ( -5.169 12.250 -1.739) 13.409 2.222 ( -5.226 -4.622 -2.081) 7.281 2.371 ( 3.266 -1.205 0.764) 3.564 2.443 ( 3.771 4.093 -8.048) 9.785 2.537 ( 4.473 -12.631 -8.718) 15.986 2.590 ( 5.412 -5.044 2.237) 7.729 2.779 ( 0.957 0.010 -5.283) 5.369 2.932 ( 7.007 -5.958 -11.559) 14.772 3.041 ( 1.884 -12.151 -0.395) 12.303 3.151 ( -2.985 -0.753 3.142) 4.399 3.411 ( -0.291 -10.041 -2.527) 10.358 4.003 ( 3.214 10.654 13.173) 17.244 4.074 ( 0.958 3.962 19.834) 20.248 4.267 ( 1.285 24.408 10.547) 26.620 4.402 ( 4.651 16.710 12.126) 21.163 4.700 ( 11.171 10.434 5.063) 16.103 4.752 ( -2.171 7.915 5.511) 9.886 4.916 ( -4.917 -1.053 -1.506) 5.249 5.095 ( 7.528 1.539 1.528) 7.834 5.202 ( 8.342 2.734 -0.331) 8.785 5.314 ( -9.558 1.700 2.723) 10.082 5.399 ( -3.292 -2.968 -4.788) 6.524 5.630 ( 4.621 -10.633 1.452) 11.684 5.829 ( 1.356 1.137 -3.350) 3.789 5.860 ( 3.739 -0.509 4.875) 6.165 6.252 ( -11.971 7.391 -4.245) 14.695 6.553 ( 9.321 -4.170 -6.144) 11.917 6.978 ( -2.250 6.667 2.537) 7.480 7.169 ( -7.209 -2.313 -0.139) 7.572 7.566 ( 2.797 -1.980 -2.041) 3.989 7.692 ( 1.533 -8.559 -0.713) 8.724 7.801 ( -3.465 7.330 -0.798) 8.147 7.990 ( 0.416 1.237 -2.688) 2.988 9.024 ( -3.431 6.768 5.019) 9.097 9.200 ( 1.651 -0.851 3.883) 4.304 9.390 ( -5.560 2.062 -2.682) 6.509 9.621 ( -3.761 -0.118 -0.618) 3.814 9.813 ( 5.753 12.533 1.059) 13.831 10.355 ( 3.764 -8.841 0.536) 9.624 10.540 ( -0.519 4.883 3.960) 6.308 10.981 ( -0.019 -0.525 -9.783) 9.797 11.207 ( 11.651 -5.790 -2.181) 13.192 11.481 ( 5.205 -9.901 -2.741) 11.517 12.132 ( -8.756 7.942 6.140) 13.321 12.241 ( -10.327 3.361 6.758) 12.791 12.530 ( -6.706 0.899 -3.499) 7.617 12.665 ( -2.646 -4.849 -5.309) 7.662 14.334 ( -1.106 7.100 8.400) 11.054 14.527 ( -3.880 -2.719 11.456) 12.397 14.752 ( 4.865 14.708 3.665) 15.920 15.111 ( 7.727 13.357 1.268) 15.483 15.275 ( -2.491 15.235 -7.373) 17.108 15.458 ( 11.526 -13.180 -0.406) 17.514 15.769 ( 4.999 -11.155 0.578) 12.237 15.891 ( 0.813 -8.549 -8.847) 12.329 20.428 ( 3.549 12.101 1.758) 12.732 20.665 ( -0.984 2.751 0.250) 2.932 22.057 ( -2.318 -1.535 -4.394) 5.200 22.250 ( -2.425 -8.174 -7.562) 11.397 ======================= Grid point 229 (121/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -10.004 -6.846 -5.835) 13.453 1.841 ( -10.004 6.846 -5.835) 13.453 2.213 ( 0.788 -10.062 -0.303) 10.097 2.213 ( 0.788 10.062 -0.303) 10.097 2.485 ( 2.554 -8.821 -5.751) 10.836 2.485 ( 2.554 8.821 -5.751) 10.836 2.692 ( 2.491 -7.453 -1.155) 7.942 2.692 ( 2.491 7.453 -1.155) 7.942 2.846 ( -0.060 -3.928 -5.334) 6.624 2.846 ( -0.060 3.928 -5.334) 6.624 3.326 ( 7.231 -6.168 4.651) 10.581 3.326 ( 7.231 6.168 4.651) 10.581 4.226 ( -3.148 -1.530 7.694) 8.453 4.226 ( -3.148 1.530 7.694) 8.453 4.748 ( -11.015 -7.420 9.649) 16.415 4.748 ( -11.015 7.420 9.649) 16.415 4.927 ( 9.864 -7.454 9.539) 15.616 4.927 ( 9.864 7.454 9.539) 15.616 5.109 ( 0.975 -7.674 0.866) 7.784 5.109 ( 0.975 7.674 0.866) 7.784 5.215 ( -7.549 -4.242 0.684) 8.686 5.215 ( -7.549 4.242 0.684) 8.686 5.470 ( 4.058 -14.253 2.707) 15.064 5.470 ( 4.058 14.253 2.707) 15.064 5.941 ( 1.790 -2.983 1.818) 3.925 5.941 ( 1.790 2.983 1.818) 3.925 6.263 ( -2.356 -13.858 -11.719) 18.301 6.263 ( -2.356 13.858 -11.719) 18.301 7.058 ( 2.567 -3.939 0.441) 4.722 7.058 ( 2.567 3.939 0.441) 4.722 7.567 ( 0.326 -1.142 -1.313) 1.771 7.567 ( 0.326 1.142 -1.313) 1.771 7.913 ( 1.810 -4.395 -3.397) 5.842 7.913 ( 1.810 4.395 -3.397) 5.842 9.092 ( -3.383 -5.522 1.210) 6.588 9.092 ( -3.383 5.522 1.210) 6.588 9.596 ( 1.804 -6.915 7.073) 10.055 9.596 ( 1.804 6.915 7.073) 10.055 10.201 ( 0.120 -8.550 5.931) 10.407 10.201 ( 0.120 8.550 5.931) 10.407 10.651 ( -0.345 -8.935 -9.963) 13.387 10.651 ( -0.345 8.935 -9.963) 13.387 11.327 ( 0.574 -5.090 -3.639) 6.284 11.327 ( 0.574 5.090 -3.639) 6.284 12.206 ( -3.253 -2.932 6.318) 7.687 12.206 ( -3.253 2.932 6.318) 7.687 12.498 ( 1.812 -3.699 -4.545) 6.134 12.498 ( 1.812 3.699 -4.545) 6.134 14.597 ( 1.767 -5.016 15.857) 16.725 14.597 ( 1.767 5.016 15.857) 16.725 15.132 ( -4.252 -12.138 -7.191) 14.735 15.132 ( -4.252 12.138 -7.191) 14.735 15.450 ( 1.935 -14.244 1.812) 14.489 15.450 ( 1.935 14.244 1.812) 14.489 15.643 ( 1.137 -8.696 -6.355) 10.830 15.643 ( 1.137 8.696 -6.355) 10.830 20.699 ( -0.109 -2.086 1.932) 2.845 20.699 ( -0.109 2.086 1.932) 2.846 21.977 ( -0.130 -3.815 -6.089) 7.187 21.977 ( -0.130 3.815 -6.089) 7.187 ======================= Grid point 231 (122/160) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -2.289 -2.596 5.899) 6.840 1.725 ( -2.289 2.596 5.899) 6.840 2.238 ( 0.516 -10.333 2.766) 10.709 2.238 ( 0.516 10.333 2.766) 10.709 2.421 ( 1.718 -6.854 -9.589) 11.911 2.421 ( 1.718 6.854 -9.589) 11.911 2.676 ( -2.181 -5.493 -2.342) 6.357 2.676 ( -2.181 5.493 -2.342) 6.357 2.850 ( 4.049 -6.020 -0.020) 7.255 2.850 ( 4.049 6.020 -0.020) 7.255 3.390 ( -1.283 -2.449 -5.355) 6.027 3.390 ( -1.283 2.449 -5.355) 6.027 4.236 ( -3.557 -5.400 5.536) 8.512 4.236 ( -3.557 5.400 5.536) 8.512 4.641 ( -11.434 -6.039 7.658) 15.028 4.641 ( -11.434 6.039 7.658) 15.028 4.986 ( -13.828 -7.324 -0.933) 15.675 4.986 ( -13.828 7.324 -0.933) 15.675 5.113 ( -5.404 -6.963 4.207) 9.766 5.113 ( -5.404 6.963 4.206) 9.766 5.212 ( 5.713 -3.782 4.036) 7.952 5.212 ( 5.713 3.782 4.036) 7.952 5.583 ( 5.830 -13.655 3.894) 15.350 5.583 ( 5.830 13.655 3.894) 15.350 5.973 ( -2.236 -4.264 0.768) 4.875 5.973 ( -2.236 4.264 0.768) 4.875 6.080 ( 0.968 -8.552 -9.385) 12.734 6.080 ( 0.968 8.552 -9.385) 12.734 7.180 ( 9.294 -9.528 -0.488) 13.319 7.180 ( 9.294 9.528 -0.488) 13.319 7.544 ( 0.154 -2.402 -2.355) 3.367 7.544 ( 0.154 2.402 -2.355) 3.367 7.929 ( 3.853 -1.019 -2.100) 4.504 7.929 ( 3.853 1.019 -2.100) 4.504 9.094 ( 0.618 -4.820 3.352) 5.904 9.094 ( 0.618 4.820 3.352) 5.904 9.703 ( 3.460 -2.986 1.768) 4.901 9.703 ( 3.460 2.986 1.768) 4.901 10.132 ( -11.777 -1.735 1.053) 11.951 10.132 ( -11.777 1.735 1.053) 11.951 10.658 ( 9.275 -7.992 -2.954) 12.594 10.658 ( 9.275 7.992 -2.954) 12.594 11.197 ( -10.137 -3.259 -1.821) 10.803 11.197 ( -10.137 3.259 -1.821) 10.803 12.293 ( 3.790 -2.220 5.654) 7.160 12.293 ( 3.790 2.220 5.654) 7.160 12.521 ( 6.717 -1.792 -4.201) 8.123 12.521 ( 6.717 1.792 -4.201) 8.123 14.803 ( -3.124 -9.086 4.801) 10.741 14.803 ( -3.124 9.086 4.801) 10.741 14.943 ( -3.872 -7.796 3.086) 9.236 14.943 ( -3.872 7.796 3.086) 9.236 15.452 ( -3.690 -12.687 1.035) 13.253 15.452 ( -3.690 12.687 1.035) 13.253 15.545 ( -2.444 -7.796 -7.462) 11.065 15.545 ( -2.444 7.796 -7.462) 11.065 20.672 ( -5.086 -3.279 1.117) 6.154 20.672 ( -5.086 3.279 1.117) 6.154 21.960 ( 4.382 -3.433 -2.868) 6.261 21.960 ( 4.382 3.433 -2.868) 6.261 ======================= Grid point 233 (123/160) ======================= q-point: ( 0.20 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 2.674 -3.620 14.151) 14.849 1.872 ( 2.674 3.620 14.151) 14.849 2.286 ( -0.912 -3.777 2.729) 4.748 2.286 ( -0.912 3.777 2.729) 4.748 2.348 ( 3.788 -0.380 -6.444) 7.484 2.348 ( 3.788 0.380 -6.444) 7.484 2.591 ( -2.813 -5.068 -4.710) 7.469 2.591 ( -2.813 5.068 -4.710) 7.469 2.904 ( 1.926 -6.319 -2.165) 6.952 2.904 ( 1.926 6.319 -2.165) 6.952 3.261 ( -1.847 -4.119 -3.866) 5.943 3.261 ( -1.847 4.119 -3.866) 5.943 4.200 ( -8.923 -12.233 2.620) 15.366 4.200 ( -8.923 12.233 2.620) 15.366 4.520 ( -17.150 -10.458 4.161) 20.514 4.520 ( -17.150 10.458 4.161) 20.514 4.718 ( -8.149 -2.794 -3.181) 9.183 4.718 ( -8.149 2.794 -3.181) 9.183 5.003 ( -9.885 -7.820 2.555) 12.861 5.003 ( -9.885 7.820 2.555) 12.861 5.296 ( 0.398 -4.491 3.129) 5.488 5.296 ( 0.398 4.491 3.129) 5.488 5.644 ( -0.638 -8.157 -4.615) 9.394 5.644 ( -0.638 8.157 -4.615) 9.394 5.875 ( 6.435 -7.065 -13.126) 16.236 5.875 ( 6.435 7.065 -13.126) 16.236 6.217 ( 6.904 -2.789 11.137) 13.397 6.217 ( 6.904 2.789 11.137) 13.397 7.288 ( 2.841 -10.903 -0.629) 11.285 7.288 ( 2.841 10.903 -0.629) 11.285 7.537 ( 3.663 -4.534 -4.401) 7.304 7.537 ( 3.663 4.534 -4.401) 7.304 7.985 ( 3.815 -2.787 0.052) 4.725 7.985 ( 3.815 2.787 0.052) 4.725 9.176 ( 2.228 -1.966 3.890) 4.895 9.176 ( 2.228 1.966 3.890) 4.895 9.704 ( -0.073 -6.870 -6.687) 9.587 9.704 ( -0.073 6.870 -6.687) 9.587 9.987 ( -5.765 -6.052 4.560) 9.521 9.987 ( -5.765 6.052 4.560) 9.521 10.741 ( 1.294 -9.147 -4.313) 10.196 10.741 ( 1.294 9.147 -4.313) 10.196 11.043 ( -5.921 -7.865 4.480) 10.816 11.043 ( -5.921 7.865 4.480) 10.816 12.423 ( 3.548 -3.557 4.076) 6.470 12.423 ( 3.548 3.557 4.076) 6.470 12.621 ( 9.284 -0.822 -2.308) 9.602 12.621 ( 9.284 0.822 -2.308) 9.602 14.567 ( -14.911 -10.236 -2.935) 18.323 14.567 ( -14.911 10.236 -2.935) 18.323 15.022 ( -5.764 -4.450 4.648) 8.639 15.022 ( -5.764 4.450 4.648) 8.639 15.362 ( -1.117 -5.705 -9.844) 11.432 15.362 ( -1.117 5.706 -9.844) 11.432 15.500 ( 3.054 -6.267 6.377) 9.448 15.500 ( 3.054 6.267 6.377) 9.448 20.560 ( -8.174 -5.593 -0.311) 9.909 20.560 ( -8.174 5.593 -0.311) 9.909 22.042 ( 5.395 -3.571 1.506) 6.643 22.042 ( 5.395 3.571 1.506) 6.643 ======================= Grid point 235 (124/160) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -1.581 -3.498 4.327) 5.784 2.014 ( -1.581 3.498 4.327) 5.784 2.314 ( 5.582 -3.684 0.021) 6.688 2.314 ( 5.582 3.684 0.021) 6.688 2.370 ( -2.664 -1.571 -1.813) 3.585 2.370 ( -2.664 1.571 -1.813) 3.585 2.530 ( 5.352 -3.455 -0.632) 6.402 2.530 ( 5.352 3.455 -0.632) 6.402 2.891 ( 1.878 -10.388 -2.365) 10.818 2.891 ( 1.878 10.388 -2.365) 10.818 3.279 ( 1.171 -3.149 4.082) 5.287 3.279 ( 1.171 3.149 4.082) 5.287 3.945 ( -19.017 -11.970 -4.217) 22.863 3.945 ( -19.017 11.970 -4.217) 22.863 4.124 ( -24.144 -13.413 -3.407) 27.829 4.124 ( -24.144 13.413 -3.407) 27.829 4.625 ( -4.460 -7.269 -1.764) 8.709 4.625 ( -4.460 7.269 -1.764) 8.709 4.923 ( -1.449 -5.211 2.075) 5.793 4.923 ( -1.449 5.211 2.075) 5.793 5.334 ( 0.042 -0.625 2.585) 2.660 5.334 ( 0.042 0.625 2.585) 2.660 5.584 ( 3.067 -4.164 -5.752) 7.735 5.584 ( 3.067 4.164 -5.752) 7.735 5.855 ( 6.853 -1.692 -9.815) 12.090 5.855 ( 6.853 1.692 -9.815) 12.090 6.439 ( 4.069 -3.843 7.085) 9.029 6.439 ( 4.069 3.843 7.085) 9.029 7.262 ( -2.815 -12.121 -3.605) 12.955 7.262 ( -2.815 12.121 -3.605) 12.955 7.543 ( 2.143 -7.437 -2.467) 8.123 7.543 ( 2.143 7.437 -2.467) 8.123 8.052 ( 3.361 -5.628 0.037) 6.555 8.052 ( 3.361 5.628 0.037) 6.555 9.175 ( -3.449 -1.433 -2.882) 4.717 9.175 ( -3.449 1.433 -2.882) 4.717 9.702 ( 5.620 -7.671 2.470) 9.825 9.702 ( 5.620 7.671 2.470) 9.825 9.989 ( -1.907 -8.261 3.597) 9.209 9.989 ( -1.907 8.261 3.597) 9.209 10.642 ( -3.616 -13.295 -3.536) 14.225 10.642 ( -3.616 13.295 -3.536) 14.225 11.067 ( -0.325 -9.322 3.510) 9.966 11.067 ( -0.325 9.322 3.510) 9.966 12.494 ( -0.439 -5.748 3.106) 6.548 12.494 ( -0.439 5.748 3.106) 6.548 12.768 ( 8.889 -2.475 -0.217) 9.230 12.768 ( 8.889 2.475 -0.217) 9.230 14.306 ( -12.085 -8.032 -0.329) 14.515 14.306 ( -12.085 8.032 -0.329) 14.515 14.846 ( -15.542 -7.267 1.535) 17.226 14.846 ( -15.542 7.267 1.535) 17.226 15.276 ( 7.814 -3.652 -13.738) 16.222 15.276 ( 7.814 3.652 -13.738) 16.222 15.697 ( 5.691 -6.748 9.388) 12.886 15.697 ( 5.691 6.748 9.388) 12.886 20.396 ( -8.961 -5.433 -1.963) 10.661 20.396 ( -8.961 5.433 -1.963) 10.661 22.163 ( 3.866 -2.618 5.005) 6.845 22.163 ( 3.866 2.618 5.005) 6.845 ======================= Grid point 237 (125/160) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -0.409 -2.429 -5.518) 6.043 1.983 ( -0.409 2.429 -5.518) 6.043 2.188 ( -4.194 -2.801 -9.641) 10.880 2.188 ( -4.194 2.801 -9.641) 10.880 2.479 ( 7.934 -6.809 1.119) 10.515 2.479 ( 7.934 6.809 1.119) 10.515 2.694 ( 6.878 -6.799 5.042) 10.907 2.694 ( 6.878 6.799 5.042) 10.907 2.936 ( 4.706 -11.889 0.667) 12.804 2.936 ( 4.706 11.889 0.667) 12.804 3.261 ( -13.968 -6.978 0.665) 15.628 3.261 ( -13.968 6.978 0.665) 15.628 3.585 ( -9.743 -7.424 -3.377) 12.706 3.585 ( -9.743 7.424 -3.377) 12.706 3.716 ( -14.566 -10.462 -4.193) 18.417 3.716 ( -14.566 10.462 -4.193) 18.417 4.503 ( -6.179 -7.732 -2.141) 10.126 4.503 ( -6.179 7.732 -2.141) 10.126 4.981 ( 4.103 -1.843 2.700) 5.246 4.981 ( 4.103 1.843 2.700) 5.246 5.355 ( 0.347 -5.601 0.136) 5.613 5.355 ( 0.347 5.601 0.136) 5.613 5.572 ( 2.862 -5.003 -7.617) 9.552 5.572 ( 2.862 5.003 -7.617) 9.552 5.903 ( 5.444 -4.500 0.592) 7.088 5.903 ( 5.444 4.500 0.592) 7.088 6.498 ( -0.554 -4.612 -1.558) 4.900 6.498 ( -0.554 4.612 -1.558) 4.900 7.116 ( -5.455 -10.392 -6.690) 13.509 7.116 ( -5.455 10.392 -6.690) 13.509 7.593 ( 3.906 -7.763 2.501) 9.043 7.593 ( 3.906 7.763 2.501) 9.043 8.078 ( 0.646 -5.639 -1.824) 5.962 8.078 ( 0.646 5.639 -1.824) 5.962 9.070 ( -1.999 -3.278 -4.605) 5.995 9.070 ( -1.999 3.278 -4.605) 5.995 9.882 ( 6.664 -3.986 5.775) 9.677 9.882 ( 6.664 3.986 5.775) 9.677 9.986 ( -3.340 -9.392 3.986) 10.736 9.986 ( -3.340 9.392 3.986) 10.736 10.579 ( -0.170 -9.429 -1.648) 9.573 10.579 ( -0.170 9.429 -1.648) 9.573 11.077 ( -1.142 -5.158 0.619) 5.319 11.077 ( -1.142 5.158 0.619) 5.319 12.491 ( -3.003 -5.439 2.167) 6.580 12.491 ( -3.003 5.439 2.167) 6.580 12.900 ( 5.444 -2.633 0.993) 6.128 12.900 ( 5.444 2.633 0.993) 6.128 14.165 ( -5.151 -4.303 1.233) 6.824 14.165 ( -5.151 4.303 1.233) 6.824 14.618 ( -10.554 -3.900 0.257) 11.255 14.618 ( -10.554 3.900 0.257) 11.255 15.270 ( 6.877 -2.083 -9.968) 12.288 15.270 ( 6.877 2.083 -9.968) 12.288 15.871 ( 3.384 -4.535 6.191) 8.388 15.871 ( 3.384 4.535 6.191) 8.388 20.226 ( -6.462 -4.093 -3.252) 8.312 20.226 ( -6.462 4.093 -3.252) 8.312 22.284 ( 1.938 -1.252 6.460) 6.860 22.284 ( 1.938 1.252 6.460) 6.860 ======================= Grid point 239 (126/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -1.202 -6.386 -10.062) 11.978 1.862 ( -1.202 6.386 -10.062) 11.978 2.049 ( 1.077 -1.477 -8.712) 8.902 2.049 ( 1.077 1.477 -8.712) 8.902 2.586 ( 3.208 -5.206 -1.100) 6.213 2.586 ( 3.208 5.206 -1.100) 6.213 2.800 ( -2.533 -5.121 -0.916) 5.786 2.800 ( -2.533 5.121 -0.916) 5.786 2.957 ( -4.654 -2.401 -2.471) 5.791 2.957 ( -4.654 2.401 -2.471) 5.791 3.084 ( 6.601 -7.929 4.854) 11.402 3.084 ( 6.601 7.929 4.854) 11.402 3.388 ( -6.902 -4.922 -1.835) 8.674 3.388 ( -6.902 4.922 -1.835) 8.674 3.681 ( 4.371 -3.895 0.451) 5.872 3.681 ( 4.371 3.896 0.451) 5.872 4.398 ( -3.814 -1.505 1.068) 4.237 4.398 ( -3.814 1.505 1.068) 4.237 5.085 ( 2.834 -1.185 1.054) 3.247 5.085 ( 2.834 1.185 1.054) 3.247 5.345 ( -0.347 -6.796 -1.493) 6.966 5.345 ( -0.347 6.796 -1.493) 6.966 5.492 ( -0.548 -8.764 -6.794) 11.102 5.492 ( -0.548 8.764 -6.794) 11.102 6.015 ( 1.520 -3.086 6.172) 7.066 6.015 ( 1.520 3.086 6.172) 7.066 6.431 ( -0.973 -3.874 -5.608) 6.885 6.431 ( -0.973 3.874 -5.608) 6.885 6.979 ( -0.628 -4.732 -5.301) 7.133 6.979 ( -0.628 4.732 -5.301) 7.133 7.701 ( 3.856 -6.136 2.034) 7.527 7.701 ( 3.856 6.136 2.034) 7.527 8.047 ( -1.093 -4.703 -1.601) 5.086 8.047 ( -1.093 4.703 -1.601) 5.086 9.003 ( 0.557 -2.890 -4.769) 5.604 9.003 ( 0.557 2.890 -4.769) 5.604 9.946 ( -4.005 -2.380 2.994) 5.538 9.946 ( -4.005 2.380 2.994) 5.538 10.046 ( 1.984 -1.929 4.971) 5.689 10.046 ( 1.984 1.929 4.971) 5.689 10.584 ( 1.742 -1.919 -0.218) 2.600 10.584 ( 1.742 1.919 -0.218) 2.600 11.060 ( -0.798 -3.161 -0.056) 3.260 11.060 ( -0.798 3.161 -0.056) 3.260 12.467 ( -1.465 -2.017 1.168) 2.752 12.467 ( -1.465 2.017 1.168) 2.752 12.968 ( 0.423 -1.672 1.498) 2.284 12.968 ( 0.423 1.672 1.498) 2.284 14.140 ( 0.454 -2.160 0.941) 2.400 14.140 ( 0.454 2.160 0.941) 2.400 14.526 ( -0.215 -0.281 0.263) 0.440 14.526 ( -0.215 0.281 0.263) 0.440 15.237 ( -0.492 -0.666 -5.830) 5.888 15.237 ( -0.492 0.666 -5.830) 5.888 15.961 ( 0.653 -0.571 3.205) 3.320 15.961 ( 0.653 0.571 3.205) 3.320 20.126 ( -0.153 -1.373 -2.923) 3.232 20.126 ( -0.153 1.373 -2.923) 3.232 22.375 ( 0.084 -0.447 5.399) 5.418 22.375 ( 0.084 0.447 5.399) 5.418 ======================= Grid point 241 (127/160) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 4.117 -7.784 -4.706) 9.984 1.787 ( 4.117 7.784 -4.706) 9.984 2.010 ( 2.715 -1.481 -2.939) 4.266 2.010 ( 2.715 1.481 -2.939) 4.266 2.570 ( -4.104 -1.722 3.804) 5.855 2.570 ( -4.104 1.722 3.804) 5.855 2.680 ( -1.508 -5.281 -4.921) 7.374 2.680 ( -1.508 5.281 -4.921) 7.374 3.041 ( 6.667 -4.805 -0.606) 8.240 3.041 ( 6.667 4.805 -0.606) 8.240 3.187 ( 5.140 -4.023 -0.384) 6.539 3.187 ( 5.140 4.023 -0.384) 6.539 3.476 ( 13.233 -7.865 4.316) 15.988 3.476 ( 13.233 7.865 4.316) 15.988 3.690 ( -0.054 -2.255 -5.125) 5.599 3.690 ( -0.054 2.255 -5.125) 5.599 4.446 ( 3.255 -12.357 7.483) 14.808 4.446 ( 3.255 12.357 7.483) 14.808 5.024 ( -5.373 -5.435 -5.826) 9.610 5.024 ( -5.373 5.435 -5.826) 9.610 5.298 ( -2.374 -3.695 -2.889) 5.257 5.298 ( -2.374 3.695 -2.889) 5.257 5.482 ( 2.696 -9.425 1.562) 9.926 5.482 ( 2.696 9.425 1.562) 9.926 6.072 ( -3.382 -2.880 4.175) 6.096 6.072 ( -3.382 2.880 4.175) 6.096 6.353 ( 0.294 -2.439 -4.580) 5.197 6.353 ( 0.294 2.439 -4.580) 5.197 6.994 ( 6.615 -5.465 -1.379) 8.690 6.994 ( 6.615 5.465 -1.379) 8.690 7.727 ( -0.661 -2.684 -2.843) 3.965 7.727 ( -0.661 2.684 -2.843) 3.965 8.025 ( -0.526 -3.051 0.653) 3.164 8.025 ( -0.526 3.051 0.653) 3.164 8.978 ( 1.878 -2.076 -2.837) 3.985 8.978 ( 1.878 2.076 -2.837) 3.985 9.890 ( -7.116 -1.605 3.703) 8.181 9.890 ( -7.116 1.605 3.703) 8.181 10.086 ( -0.936 -5.209 0.471) 5.313 10.086 ( -0.936 5.209 0.471) 5.313 10.630 ( 4.194 -6.954 -0.878) 8.168 10.630 ( 4.194 6.954 -0.878) 8.168 11.061 ( 0.466 -4.448 1.083) 4.602 11.061 ( 0.466 4.448 1.083) 4.602 12.475 ( 0.009 -2.613 1.724) 3.130 12.475 ( 0.009 2.613 1.724) 3.130 12.941 ( -4.598 -0.688 0.183) 4.653 12.941 ( -4.598 0.688 0.183) 4.653 14.207 ( 6.623 -3.958 -0.013) 7.715 14.207 ( 6.623 3.958 -0.013) 7.715 14.608 ( 8.840 -4.584 0.500) 9.971 14.608 ( 8.840 4.584 0.500) 9.971 15.106 ( -8.523 -0.460 -2.451) 8.880 15.106 ( -8.523 0.460 -2.451) 8.880 15.976 ( -1.628 -5.644 0.863) 5.938 15.976 ( -1.628 5.644 0.863) 5.938 20.162 ( 6.929 -2.302 -1.044) 7.375 20.162 ( 6.929 2.302 -1.044) 7.375 22.407 ( -1.911 -2.297 2.401) 3.833 22.407 ( -1.911 2.297 2.401) 3.833 ======================= Grid point 243 (128/160) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 6.839 -7.232 1.358) 10.046 1.873 ( 6.839 7.233 1.358) 10.046 2.078 ( 2.448 -6.091 6.559) 9.280 2.078 ( 2.448 6.091 6.559) 9.280 2.558 ( -1.009 -5.243 -2.559) 5.921 2.558 ( -1.009 5.243 -2.559) 5.921 2.640 ( 1.182 -3.638 0.443) 3.850 2.640 ( 1.182 3.638 0.443) 3.850 3.038 ( 3.495 -10.548 -13.020) 17.118 3.038 ( 3.495 10.548 -13.020) 17.118 3.380 ( 6.668 -5.601 9.473) 12.867 3.380 ( 6.668 5.601 9.473) 12.867 3.565 ( -0.907 -4.635 -2.084) 5.162 3.565 ( -0.907 4.635 -2.084) 5.162 3.883 ( 22.397 -13.634 4.170) 26.550 3.883 ( 22.397 13.634 4.170) 26.550 4.630 ( 4.323 -20.245 9.884) 22.940 4.630 ( 4.323 20.245 9.884) 22.940 4.869 ( -3.016 -5.313 -4.029) 7.318 4.869 ( -3.016 5.313 -4.029) 7.318 5.214 ( -3.049 -2.322 -2.912) 4.813 5.214 ( -3.049 2.322 -2.912) 4.813 5.530 ( -0.156 -6.174 0.818) 6.230 5.530 ( -0.156 6.174 0.818) 6.230 5.972 ( -5.897 -3.680 -4.948) 8.532 5.972 ( -5.897 3.680 -4.948) 8.532 6.384 ( 2.826 -6.116 3.860) 7.765 6.384 ( 2.826 6.116 3.860) 7.765 7.126 ( 7.134 -9.008 0.997) 11.534 7.126 ( 7.134 9.008 0.997) 11.534 7.635 ( -3.176 -4.393 -5.091) 7.437 7.635 ( -3.176 4.393 -5.091) 7.437 8.029 ( -0.857 -1.363 0.898) 1.843 8.029 ( -0.857 1.363 0.898) 1.843 8.998 ( 1.554 -2.338 1.404) 3.139 8.998 ( 1.554 2.338 1.404) 3.139 9.785 ( -9.421 -1.826 2.140) 9.832 9.785 ( -9.421 1.826 2.140) 9.832 10.053 ( -1.584 -9.227 -0.807) 9.397 10.053 ( -1.584 9.227 -0.807) 9.397 10.699 ( 6.959 -13.782 -3.861) 15.915 10.699 ( 6.959 13.782 -3.861) 15.915 11.106 ( 2.608 -6.572 1.943) 7.333 11.106 ( 2.608 6.572 1.943) 7.333 12.477 ( -4.204 -4.907 3.035) 7.139 12.477 ( -4.204 4.907 3.035) 7.139 12.830 ( -6.489 -0.421 -1.798) 6.746 12.830 ( -6.489 0.421 -1.798) 6.746 14.354 ( 10.997 -8.522 -2.208) 14.087 14.354 ( 10.997 8.522 -2.208) 14.087 14.790 ( 2.448 -8.328 5.311) 10.176 14.790 ( 2.448 8.328 5.311) 10.176 14.967 ( 2.537 -4.149 -1.688) 5.147 14.967 ( 2.537 4.149 -1.688) 5.147 15.926 ( -3.629 -10.078 -1.610) 10.832 15.926 ( -3.629 10.078 -1.610) 10.832 20.315 ( 10.239 -5.466 0.700) 11.628 20.315 ( 10.239 5.466 0.700) 11.628 22.363 ( -3.915 -4.089 -1.292) 5.807 22.363 ( -3.915 4.089 -1.292) 5.807 ======================= Grid point 245 (129/160) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 6.809 -5.975 3.033) 9.553 2.026 ( 6.809 5.975 3.033) 9.553 2.223 ( 2.253 -10.255 9.631) 14.248 2.223 ( 2.253 10.255 9.631) 14.248 2.461 ( -2.468 -4.811 -7.657) 9.374 2.461 ( -2.468 4.811 -7.657) 9.374 2.676 ( 3.479 -9.464 -4.104) 10.886 2.676 ( 3.479 9.464 -4.104) 10.886 2.911 ( 1.333 -3.439 -10.999) 11.601 2.911 ( 1.333 3.439 -10.999) 11.601 3.358 ( -5.385 -6.454 -5.495) 10.042 3.358 ( -5.385 6.454 -5.495) 10.042 3.794 ( 7.689 -3.218 18.770) 20.538 3.794 ( 7.689 3.218 18.770) 20.538 4.325 ( 19.274 -12.025 6.261) 23.564 4.325 ( 19.274 12.025 6.261) 23.564 4.758 ( -0.836 -12.803 5.693) 14.036 4.758 ( -0.836 12.803 5.693) 14.036 4.908 ( 6.711 -6.171 3.844) 9.894 4.908 ( 6.711 6.171 3.844) 9.894 5.148 ( 0.851 -1.761 -1.684) 2.581 5.148 ( 0.851 1.761 -1.684) 2.581 5.486 ( -4.307 -2.178 -1.307) 5.000 5.486 ( -4.307 2.178 -1.307) 5.000 5.842 ( -1.034 -2.254 -4.022) 4.725 5.842 ( -1.034 2.254 -4.022) 4.725 6.467 ( 1.367 -2.350 1.284) 3.007 6.467 ( 1.367 2.350 1.284) 3.007 7.195 ( -1.484 -8.691 0.122) 8.818 7.195 ( -1.484 8.691 0.122) 8.818 7.548 ( 0.046 -3.132 -3.008) 4.343 7.548 ( 0.046 3.132 -3.008) 4.343 8.001 ( -2.577 -2.517 -0.579) 3.648 8.001 ( -2.577 2.517 -0.579) 3.648 9.071 ( 1.650 -3.724 5.726) 7.027 9.071 ( 1.650 3.724 5.726) 7.027 9.624 ( -9.811 -3.990 0.033) 10.591 9.624 ( -9.811 3.990 0.033) 10.591 10.043 ( 0.964 -12.909 0.447) 12.952 10.043 ( 0.964 12.909 0.447) 12.952 10.770 ( 6.937 -16.971 -4.953) 18.991 10.770 ( 6.937 16.971 -4.953) 18.991 11.186 ( 5.385 -9.565 -0.410) 10.984 11.186 ( 5.385 9.565 -0.410) 10.984 12.388 ( -10.438 -4.160 3.943) 11.908 12.388 ( -10.438 4.160 3.943) 11.908 12.695 ( -5.549 -1.655 -3.242) 6.636 12.695 ( -5.549 1.655 -3.242) 6.636 14.444 ( -1.467 -6.608 1.761) 6.994 14.444 ( -1.467 6.608 1.761) 6.994 14.861 ( 6.541 -9.697 6.352) 13.310 14.861 ( 6.541 9.697 6.352) 13.310 15.192 ( 17.201 -11.693 -1.379) 20.845 15.192 ( 17.201 11.693 -1.379) 20.845 15.816 ( -4.698 -12.147 -4.508) 13.782 15.816 ( -4.698 12.147 -4.508) 13.782 20.497 ( 8.755 -7.034 1.408) 11.318 20.497 ( 8.755 7.034 1.408) 11.318 22.248 ( -5.159 -5.330 -4.530) 8.691 22.248 ( -5.159 5.330 -4.530) 8.691 ======================= Grid point 247 (130/160) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -5.674 -6.642 -1.997) 8.961 2.086 ( -5.674 6.642 -1.997) 8.961 2.235 ( -0.371 -12.472 -8.012) 14.828 2.235 ( -0.371 12.472 -8.012) 14.828 2.438 ( 2.718 -5.898 5.354) 8.417 2.438 ( 2.718 5.898 5.354) 8.417 2.673 ( 5.195 -11.377 -6.985) 14.325 2.673 ( 5.195 11.377 -6.985) 14.325 2.878 ( 4.207 -5.173 -4.563) 8.080 2.878 ( 4.207 5.173 -4.563) 8.080 3.223 ( -2.123 -6.953 -1.238) 7.374 3.223 ( -2.123 6.953 -1.238) 7.374 4.101 ( 1.570 -1.197 16.637) 16.754 4.101 ( 1.570 1.197 16.637) 16.754 4.650 ( 9.260 -8.227 8.056) 14.775 4.650 ( 9.260 8.227 8.056) 14.775 4.790 ( -4.541 -7.164 7.586) 11.380 4.790 ( -4.541 7.164 7.586) 11.380 5.029 ( 5.524 -9.067 -0.059) 10.618 5.029 ( 5.524 9.067 -0.059) 10.618 5.275 ( 6.665 -7.353 3.120) 10.403 5.275 ( 6.665 7.353 3.120) 10.403 5.384 ( -3.754 -5.624 -0.155) 6.763 5.384 ( -3.754 5.624 -0.155) 6.763 5.859 ( 4.820 -0.986 0.150) 4.922 5.859 ( 4.820 0.986 0.150) 4.922 6.423 ( -2.043 -7.873 -7.497) 11.062 6.423 ( -2.043 7.873 -7.497) 11.062 7.103 ( -6.944 -4.764 0.542) 8.439 7.103 ( -6.944 4.764 0.542) 8.439 7.557 ( 2.728 -2.976 -1.698) 4.380 7.557 ( 2.728 2.976 -1.698) 4.380 7.945 ( -1.602 -5.316 -1.939) 5.881 7.945 ( -1.602 5.316 -1.939) 5.881 9.136 ( -2.452 -4.387 3.365) 6.048 9.136 ( -2.452 4.387 3.365) 6.048 9.520 ( -3.341 -7.735 4.566) 9.583 9.520 ( -3.341 7.735 4.566) 9.583 10.099 ( 3.352 -13.858 2.753) 14.521 10.099 ( 3.352 13.858 2.753) 14.521 10.776 ( 0.977 -14.439 -7.253) 16.188 10.776 ( 0.977 14.439 -7.253) 16.188 11.279 ( 7.529 -8.741 -2.948) 11.908 11.279 ( 7.529 8.741 -2.948) 11.908 12.257 ( -9.999 -2.783 5.361) 11.682 12.257 ( -9.999 2.783 5.361) 11.682 12.568 ( -3.502 -3.449 -4.215) 6.475 12.568 ( -3.502 3.449 -4.215) 6.475 14.451 ( -4.122 -4.422 11.233) 12.757 14.451 ( -4.122 4.422 11.233) 12.757 15.101 ( 11.834 -17.306 0.703) 20.978 15.101 ( 11.834 17.306 0.703) 20.978 15.396 ( 6.517 -10.845 -1.400) 12.730 15.396 ( 6.517 10.845 -1.400) 12.730 15.691 ( -0.620 -8.920 -6.148) 10.851 15.691 ( -0.620 8.920 -6.148) 10.851 20.635 ( 4.816 -6.201 1.760) 8.046 20.635 ( 4.816 6.201 1.760) 8.046 22.096 ( -4.220 -5.373 -6.465) 9.406 22.096 ( -4.220 5.373 -6.465) 9.406 ======================= Grid point 279 (131/160) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -1.076 0.000 -19.685) 19.715 1.566 ( 1.076 0.000 19.685) 19.715 1.808 ( -5.763 0.000 -23.872) 24.558 1.808 ( 5.763 0.000 23.872) 24.558 2.573 ( -1.158 0.000 -1.937) 2.256 2.573 ( 1.158 0.000 1.937) 2.256 3.202 ( 0.069 0.000 -3.679) 3.680 3.202 ( -0.069 0.000 3.679) 3.680 3.383 ( -0.777 0.000 -30.715) 30.725 3.383 ( 0.777 0.000 30.715) 30.725 3.578 ( 2.400 0.000 -16.689) 16.861 3.578 ( -2.400 0.000 16.689) 16.861 3.912 ( -4.919 0.000 -3.522) 6.050 3.912 ( 4.919 0.000 3.522) 6.050 4.014 ( -5.972 0.000 0.194) 5.975 4.014 ( 5.972 0.000 -0.194) 5.975 4.322 ( 7.756 0.000 -2.787) 8.241 4.322 ( -7.756 0.000 2.787) 8.241 4.471 ( -10.500 0.000 1.093) 10.557 4.471 ( 10.500 0.000 -1.093) 10.557 5.126 ( 6.808 0.000 -12.988) 14.664 5.126 ( -6.808 0.000 12.988) 14.664 5.581 ( -15.356 0.000 -16.048) 22.211 5.581 ( 15.356 0.000 16.048) 22.211 5.820 ( -1.445 0.000 -8.184) 8.311 5.820 ( 1.445 0.000 8.184) 8.311 6.107 ( 2.254 0.000 -8.873) 9.155 6.107 ( -2.254 0.000 8.873) 9.155 6.860 ( -4.372 0.000 -8.954) 9.965 6.860 ( 4.372 0.000 8.954) 9.965 7.406 ( 1.253 0.000 -7.813) 7.913 7.406 ( -1.253 0.000 7.813) 7.913 8.115 ( -2.555 0.000 0.120) 2.558 8.115 ( 2.555 0.000 -0.120) 2.558 8.688 ( 0.643 0.000 -21.042) 21.052 8.688 ( -0.643 0.000 21.042) 21.052 9.292 ( 3.856 0.000 -8.233) 9.092 9.292 ( -3.856 0.000 8.233) 9.092 9.971 ( -2.793 0.000 -12.987) 13.284 9.971 ( 2.793 0.000 12.987) 13.284 11.125 ( 3.992 0.000 -9.599) 10.396 11.125 ( -3.992 0.000 9.599) 10.396 11.670 ( 3.074 0.000 -9.426) 9.914 11.670 ( -3.074 0.000 9.426) 9.914 12.115 ( 2.981 0.000 -12.188) 12.548 12.115 ( -2.981 0.000 12.188) 12.548 12.446 ( -2.071 0.000 -12.127) 12.302 12.446 ( 2.071 0.000 12.127) 12.302 13.875 ( -0.501 0.000 -1.915) 1.979 13.875 ( 0.501 0.000 1.915) 1.979 14.642 ( -2.627 0.000 -3.322) 4.236 14.642 ( 2.627 0.000 3.322) 4.236 15.252 ( -0.581 0.000 -22.882) 22.890 15.252 ( 0.581 0.000 22.882) 22.890 16.156 ( 1.416 0.000 -2.137) 2.563 16.156 ( -1.416 0.000 2.137) 2.563 20.222 ( -1.883 0.000 -4.753) 5.112 20.222 ( 1.883 0.000 4.753) 5.112 22.283 ( -0.616 0.000 -4.244) 4.288 22.283 ( 0.616 0.000 4.244) 4.288 ======================= Grid point 281 (132/160) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 12.210 0.000 -17.851) 21.627 1.481 ( 3.639 0.000 -24.247) 24.518 1.867 ( 4.646 0.000 17.154) 17.772 2.200 ( 7.450 0.000 17.405) 18.932 2.537 ( -9.545 0.000 5.038) 10.793 2.558 ( 0.283 0.000 3.022) 3.035 3.046 ( 10.112 0.000 -23.002) 25.126 3.130 ( -11.482 0.000 0.738) 11.506 3.147 ( 0.639 0.000 -13.836) 13.851 3.461 ( 3.958 0.000 -12.608) 13.214 3.506 ( -19.310 0.000 -10.526) 21.992 3.694 ( 0.534 0.000 12.386) 12.397 3.823 ( 1.242 0.000 18.486) 18.528 3.832 ( -14.791 0.000 -4.570) 15.481 3.944 ( -3.035 0.000 -0.432) 3.066 4.063 ( -1.771 0.000 -11.054) 11.195 4.168 ( 11.507 0.000 -1.038) 11.554 4.272 ( 1.610 0.000 6.631) 6.823 4.725 ( 3.494 0.000 2.472) 4.280 4.816 ( 18.525 0.000 6.456) 19.618 5.095 ( 9.797 0.000 -13.444) 16.635 5.105 ( -9.154 0.000 9.551) 13.229 5.230 ( -1.242 0.000 -14.524) 14.577 5.785 ( 8.215 0.000 -4.780) 9.504 5.917 ( 4.532 0.000 4.090) 6.105 6.063 ( 3.550 0.000 -6.501) 7.408 6.066 ( 3.396 0.000 14.984) 15.364 6.210 ( 6.636 0.000 10.747) 12.631 6.648 ( -6.668 0.000 -8.614) 10.893 7.031 ( 5.308 0.000 7.250) 8.985 7.360 ( 4.721 0.000 -8.618) 9.827 7.430 ( -7.321 0.000 5.490) 9.150 8.055 ( -4.862 0.000 2.281) 5.370 8.127 ( -1.456 0.000 0.892) 1.708 8.543 ( 9.049 0.000 -17.590) 19.781 9.054 ( 13.194 0.000 22.499) 26.082 9.239 ( 2.060 0.000 -8.871) 9.107 9.295 ( -6.356 0.000 5.994) 8.736 9.751 ( -5.482 0.000 -7.833) 9.561 10.116 ( -4.959 0.000 14.446) 15.273 10.932 ( -8.658 0.000 -13.913) 16.387 11.077 ( -9.000 0.000 3.795) 9.767 11.554 ( -5.502 0.000 -5.812) 8.003 11.726 ( -4.117 0.000 10.378) 11.165 12.160 ( 15.210 0.000 -9.214) 17.783 12.302 ( 3.113 0.000 -11.505) 11.918 12.333 ( 10.060 0.000 9.485) 13.827 12.626 ( 2.996 0.000 9.469) 9.932 13.916 ( 6.990 0.000 -0.643) 7.019 13.975 ( 8.220 0.000 1.948) 8.448 14.574 ( 0.361 0.000 -4.587) 4.601 14.744 ( 4.287 0.000 3.805) 5.732 15.004 ( 4.796 0.000 -23.114) 23.606 15.523 ( 1.819 0.000 16.657) 16.756 16.122 ( -2.853 0.000 -1.775) 3.360 16.132 ( -5.125 0.000 3.657) 6.296 20.198 ( 6.243 0.000 -5.378) 8.240 20.355 ( 7.426 0.000 2.752) 7.920 22.230 ( -1.621 0.000 -1.291) 2.072 22.346 ( -1.019 0.000 6.667) 6.745 ======================= Grid point 282 (133/160) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 14.473 0.000 -15.779) 21.411 1.463 ( 13.467 0.000 -17.556) 22.126 2.096 ( 1.093 0.000 12.784) 12.831 2.296 ( -3.090 0.000 7.188) 7.824 2.651 ( 2.512 0.000 5.983) 6.489 2.722 ( 9.114 0.000 16.286) 18.663 2.777 ( -20.889 0.000 -7.515) 22.199 2.895 ( -1.020 0.000 -19.193) 19.220 3.108 ( 7.034 0.000 -5.125) 8.703 3.132 ( -12.276 0.000 -4.216) 12.980 3.414 ( -15.052 0.000 -12.722) 19.708 3.427 ( 11.318 0.000 -14.423) 18.334 3.847 ( -4.536 0.000 13.899) 14.620 3.908 ( 2.429 0.000 -3.347) 4.135 3.917 ( 0.348 0.000 -7.054) 7.063 4.046 ( 7.579 0.000 -5.434) 9.326 4.319 ( 7.461 0.000 3.018) 8.048 4.433 ( 10.542 0.000 -5.283) 11.792 4.756 ( 2.329 0.000 4.173) 4.779 4.858 ( -9.237 0.000 -2.182) 9.491 4.954 ( -2.152 0.000 -10.125) 10.351 5.299 ( 11.695 0.000 8.078) 14.213 5.345 ( 12.123 0.000 4.142) 12.811 5.962 ( 14.665 0.000 -4.506) 15.342 5.988 ( -2.207 0.000 2.228) 3.136 6.065 ( -8.935 0.000 6.662) 11.145 6.070 ( 4.912 0.000 -4.427) 6.613 6.468 ( -0.516 0.000 6.855) 6.875 6.496 ( -1.181 0.000 -2.970) 3.196 7.053 ( -5.987 0.000 -0.826) 6.043 7.332 ( 4.494 0.000 -9.855) 10.831 7.515 ( 10.758 0.000 8.678) 13.821 8.009 ( -6.836 0.000 5.484) 8.764 8.092 ( -3.634 0.000 0.771) 3.715 8.584 ( 16.286 0.000 -12.052) 20.260 9.165 ( 2.151 0.000 -8.357) 8.629 9.179 ( -9.613 0.000 1.295) 9.700 9.610 ( 12.628 0.000 20.872) 24.395 9.703 ( 8.212 0.000 1.076) 8.282 10.161 ( -9.278 0.000 14.493) 17.208 10.575 ( -11.604 0.000 -14.508) 18.578 10.925 ( -10.602 0.000 -1.359) 10.689 11.390 ( -5.702 0.000 -3.892) 6.904 11.712 ( -8.834 0.000 5.036) 10.168 12.281 ( 9.389 0.000 -5.878) 11.077 12.398 ( 15.467 0.000 -1.726) 15.563 12.609 ( 9.836 0.000 6.715) 11.909 12.755 ( 1.489 0.000 5.177) 5.387 14.083 ( 12.282 0.000 -0.448) 12.290 14.195 ( 14.748 0.000 1.225) 14.799 14.566 ( 7.564 0.000 -6.681) 10.092 14.880 ( 5.845 0.000 -4.567) 7.417 14.882 ( 10.312 0.000 -10.019) 14.378 15.660 ( -3.544 0.000 7.524) 8.317 16.010 ( -7.726 0.000 -2.093) 8.005 16.081 ( -7.252 0.000 5.967) 9.391 20.301 ( 12.335 0.000 -4.709) 13.203 20.516 ( 8.942 0.000 0.111) 8.942 22.202 ( -1.700 0.000 1.692) 2.399 22.402 ( -2.889 0.000 7.940) 8.449 ======================= Grid point 283 (134/160) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 17.271 0.000 -21.047) 27.226 1.566 ( 17.574 0.000 -4.142) 18.055 2.170 ( -9.370 0.000 5.593) 10.913 2.378 ( -5.529 0.000 15.285) 16.254 2.409 ( -6.583 0.000 -2.008) 6.882 2.633 ( -6.976 0.000 -10.841) 12.892 2.809 ( 4.312 0.000 6.860) 8.103 2.908 ( -8.691 0.000 -3.351) 9.314 2.955 ( 1.451 0.000 -3.973) 4.230 3.057 ( -15.033 0.000 3.762) 15.497 3.186 ( 2.632 0.000 5.050) 5.695 3.547 ( -13.935 0.000 -20.698) 24.952 3.573 ( 23.386 0.000 -15.338) 27.967 3.983 ( 13.492 0.000 -6.069) 14.794 4.006 ( -1.302 0.000 11.137) 11.213 4.188 ( 15.305 0.000 -1.188) 15.351 4.453 ( 4.747 0.000 -10.384) 11.417 4.520 ( 10.844 0.000 2.135) 11.053 4.664 ( -7.395 0.000 -3.965) 8.391 4.830 ( -5.752 0.000 1.380) 5.915 4.958 ( 11.845 0.000 5.390) 13.014 5.503 ( 5.138 0.000 1.080) 5.250 5.593 ( 9.257 0.000 1.750) 9.421 5.843 ( -9.388 0.000 -2.391) 9.688 6.035 ( -3.409 0.000 -0.959) 3.541 6.061 ( 2.451 0.000 -3.881) 4.591 6.146 ( 5.517 0.000 0.216) 5.521 6.325 ( -13.617 0.000 0.362) 13.622 6.536 ( 4.234 0.000 4.736) 6.353 7.094 ( 1.029 0.000 11.461) 11.507 7.302 ( 7.704 0.000 -11.107) 13.518 7.714 ( 2.254 0.000 -2.806) 3.599 7.978 ( -4.284 0.000 9.117) 10.073 8.036 ( -3.488 0.000 0.793) 3.577 8.772 ( 15.924 0.000 -6.450) 17.180 9.063 ( -6.733 0.000 3.798) 7.730 9.155 ( 8.926 0.000 -6.570) 11.084 9.770 ( 2.571 0.000 1.852) 3.168 10.077 ( 9.662 0.000 7.331) 12.129 10.154 ( -10.677 0.000 12.319) 16.301 10.242 ( -4.531 0.000 -10.628) 11.554 10.704 ( -10.162 0.000 -3.005) 10.597 11.279 ( -2.048 0.000 -3.893) 4.399 11.571 ( -11.871 0.000 2.425) 12.117 12.426 ( 11.415 0.000 -1.050) 11.463 12.619 ( 10.593 0.000 -0.089) 10.594 12.796 ( -0.896 0.000 4.355) 4.446 12.820 ( 6.004 0.000 2.416) 6.472 14.303 ( 16.661 0.000 -4.168) 17.175 14.492 ( 18.241 0.000 0.173) 18.242 14.696 ( 12.774 0.000 -1.651) 12.880 14.877 ( 9.274 0.000 -10.882) 14.298 15.059 ( 10.385 0.000 2.008) 10.577 15.588 ( -11.136 0.000 2.916) 11.511 15.804 ( -12.512 0.000 -2.990) 12.864 16.011 ( -9.557 0.000 5.148) 10.856 20.486 ( 13.695 0.000 -2.917) 14.002 20.665 ( 8.919 0.000 -1.085) 8.985 22.214 ( -0.568 0.000 3.523) 3.568 22.427 ( -4.899 0.000 7.054) 8.588 ======================= Grid point 284 (135/160) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 22.381 0.000 -17.888) 28.651 1.835 ( 12.473 0.000 2.365) 12.695 2.008 ( -12.754 0.000 8.608) 15.387 2.389 ( -7.337 0.000 -6.184) 9.596 2.427 ( 8.759 0.000 -6.775) 11.073 2.462 ( -6.984 0.000 12.958) 14.720 2.715 ( -17.207 0.000 3.564) 17.572 2.775 ( -4.447 0.000 -0.634) 4.492 2.925 ( -2.646 0.000 0.359) 2.670 2.992 ( -2.953 0.000 -1.979) 3.555 3.082 ( -5.162 0.000 -13.647) 14.591 3.226 ( -2.464 0.000 -0.762) 2.579 3.785 ( 13.788 0.000 -3.222) 14.159 4.057 ( -4.693 0.000 4.770) 6.692 4.175 ( 11.550 0.000 -0.372) 11.556 4.401 ( 3.232 0.000 -8.356) 8.959 4.509 ( 2.765 0.000 -1.888) 3.348 4.613 ( -5.859 0.000 0.973) 5.939 4.633 ( 28.201 0.000 -2.335) 28.298 4.877 ( 6.451 0.000 10.423) 12.258 5.244 ( 12.863 0.000 4.880) 13.758 5.476 ( -5.815 0.000 -4.514) 7.362 5.656 ( -2.605 0.000 -3.574) 4.423 5.711 ( -1.025 0.000 -6.848) 6.924 5.883 ( -6.718 0.000 -2.684) 7.234 5.955 ( -9.454 0.000 -1.318) 9.545 6.150 ( -1.507 0.000 -2.821) 3.198 6.173 ( -8.633 0.000 4.911) 9.932 6.819 ( 16.018 0.000 11.103) 19.490 7.253 ( -2.080 0.000 14.455) 14.604 7.332 ( 10.348 0.000 -11.486) 15.460 7.561 ( -10.937 0.000 -5.749) 12.356 8.002 ( -1.326 0.000 0.747) 1.522 8.024 ( -1.187 0.000 2.756) 3.000 8.908 ( 7.469 0.000 -3.410) 8.211 9.026 ( -4.597 0.000 4.722) 6.589 9.340 ( 17.381 0.000 -3.757) 17.783 9.712 ( -7.242 0.000 -2.596) 7.693 10.027 ( 1.547 0.000 -8.504) 8.643 10.066 ( -12.291 0.000 6.819) 14.055 10.382 ( 10.118 0.000 2.124) 10.338 10.571 ( -5.004 0.000 2.698) 5.685 11.220 ( 2.293 0.000 -5.906) 6.335 11.386 ( -12.991 0.000 3.374) 13.422 12.605 ( 9.199 0.000 -0.257) 9.203 12.771 ( 8.889 0.000 -1.453) 9.007 12.783 ( -3.431 0.000 1.567) 3.772 12.916 ( 0.205 0.000 2.670) 2.678 14.566 ( 19.523 0.000 -4.516) 20.038 14.801 ( 17.497 0.000 -1.721) 17.581 14.904 ( 3.752 0.000 -3.815) 5.351 14.918 ( 10.644 0.000 3.838) 11.315 15.277 ( 11.009 0.000 0.504) 11.021 15.382 ( -15.636 0.000 2.255) 15.797 15.533 ( -11.498 0.000 -3.986) 12.169 15.856 ( -13.814 0.000 2.393) 14.019 20.674 ( 9.717 0.000 -0.416) 9.726 20.776 ( 5.317 0.000 -1.780) 5.607 22.264 ( 1.835 0.000 2.770) 3.323 22.401 ( -5.913 0.000 4.273) 7.295 ======================= Grid point 285 (136/160) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 18.173 0.000 -8.925) 20.246 1.801 ( -18.173 0.000 8.925) 20.246 2.150 ( -8.928 0.000 -8.852) 12.573 2.150 ( 8.928 0.000 8.852) 12.573 2.493 ( 11.626 0.000 -12.567) 17.120 2.493 ( -11.626 0.000 12.567) 17.120 2.603 ( 0.361 0.000 -11.325) 11.331 2.603 ( -0.361 0.000 11.325) 11.331 2.888 ( -2.311 0.000 -5.153) 5.648 2.888 ( 2.311 0.000 5.153) 5.648 3.129 ( -4.588 0.000 -3.193) 5.590 3.129 ( 4.588 0.000 3.193) 5.590 3.963 ( -9.027 0.000 0.444) 9.038 3.963 ( 9.027 0.000 -0.444) 9.038 4.341 ( -1.652 0.000 -7.049) 7.240 4.341 ( 1.652 0.000 7.049) 7.240 4.508 ( 6.138 0.000 -4.086) 7.374 4.508 ( -6.138 0.000 4.086) 7.374 5.081 ( 9.755 0.000 -8.368) 12.852 5.081 ( -9.755 0.000 8.368) 12.852 5.360 ( -9.842 0.000 0.360) 9.849 5.360 ( 9.842 0.000 -0.360) 9.849 5.525 ( -7.544 0.000 -6.752) 10.124 5.525 ( 7.544 0.000 6.752) 10.124 5.863 ( -0.341 0.000 -2.782) 2.802 5.863 ( 0.341 0.000 2.782) 2.802 6.116 ( 3.191 0.000 -3.453) 4.702 6.116 ( -3.191 0.000 3.453) 4.702 7.235 ( -15.514 0.000 -9.988) 18.452 7.235 ( 15.514 0.000 9.988) 18.452 7.342 ( 7.653 0.000 -13.679) 15.674 7.342 ( -7.653 0.000 13.679) 15.674 8.009 ( -1.036 0.000 -0.483) 1.143 8.009 ( 1.036 0.000 0.483) 1.143 8.984 ( 5.836 0.000 -2.935) 6.533 8.984 ( -5.836 0.000 2.935) 6.533 9.559 ( -11.576 0.000 2.935) 11.942 9.559 ( 11.576 0.000 -2.935) 11.942 9.981 ( 6.715 0.000 -9.130) 11.333 9.981 ( -6.715 0.000 9.130) 11.333 10.524 ( 6.510 0.000 -2.663) 7.034 10.524 ( -6.510 0.000 2.663) 7.034 11.242 ( 9.145 0.000 -5.858) 10.860 11.242 ( -9.145 0.000 5.858) 10.860 12.722 ( -5.806 0.000 1.308) 5.951 12.722 ( 5.806 0.000 -1.308) 5.951 12.888 ( -6.076 0.000 1.598) 6.283 12.888 ( 6.076 0.000 -1.598) 6.283 14.809 ( -10.685 0.000 1.245) 10.757 14.809 ( 10.685 0.000 -1.245) 10.757 15.094 ( -11.324 0.000 2.640) 11.628 15.094 ( 11.324 0.000 -2.640) 11.628 15.185 ( -5.326 0.000 -4.598) 7.037 15.185 ( 5.326 0.000 4.598) 7.037 15.611 ( -15.665 0.000 0.635) 15.677 15.611 ( 15.665 0.000 -0.635) 15.677 20.786 ( -2.066 0.000 -1.556) 2.586 20.786 ( 2.066 0.000 1.556) 2.586 22.336 ( -4.630 0.000 0.469) 4.653 22.336 ( 4.630 0.000 -0.469) 4.653 ======================= Grid point 291 (137/160) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -1.837 3.337 -16.968) 17.390 1.594 ( 1.837 3.337 16.968) 17.390 1.968 ( 0.238 10.329 -20.807) 23.231 1.968 ( -0.238 10.329 20.807) 23.231 2.576 ( -0.523 0.471 -2.979) 3.061 2.576 ( 0.523 0.471 2.979) 3.061 3.040 ( 5.815 -12.590 -5.020) 14.749 3.040 ( -5.815 -12.590 5.020) 14.749 3.367 ( -5.065 -4.494 -6.262) 9.222 3.367 ( 5.065 -4.494 6.262) 9.222 3.608 ( 0.146 3.538 -20.001) 20.312 3.608 ( -0.146 3.538 20.001) 20.312 3.845 ( -1.190 -3.081 -4.801) 5.827 3.845 ( 1.190 -3.081 4.801) 5.827 4.091 ( -2.959 9.068 -5.990) 11.263 4.091 ( 2.959 9.068 5.990) 11.263 4.358 ( -10.878 6.056 -10.529) 16.305 4.358 ( 10.878 6.056 10.529) 16.305 4.691 ( -16.666 12.626 -4.790) 21.450 4.691 ( 16.666 12.626 4.790) 21.450 5.137 ( 6.851 1.728 -11.448) 13.453 5.137 ( -6.851 1.728 11.448) 13.453 5.487 ( -11.605 -5.188 -7.484) 14.752 5.487 ( 11.605 -5.188 7.484) 14.752 5.822 ( -1.593 0.387 -6.201) 6.415 5.822 ( 1.593 0.387 6.201) 6.415 6.228 ( -4.381 7.370 -2.465) 8.921 6.228 ( 4.381 7.370 2.465) 8.921 7.002 ( -5.559 10.253 -9.436) 15.002 7.002 ( 5.559 10.253 9.436) 15.002 7.412 ( 2.293 1.843 -4.649) 5.502 7.412 ( -2.293 1.843 4.649) 5.502 8.061 ( 1.074 -4.325 -3.855) 5.892 8.061 ( -1.074 -4.325 3.855) 5.892 8.767 ( 0.825 6.397 -17.792) 18.925 8.767 ( -0.825 6.397 17.792) 18.925 9.285 ( 4.543 0.149 -6.511) 7.941 9.285 ( -4.543 0.149 6.511) 7.941 9.984 ( -4.449 1.566 -13.093) 13.916 9.984 ( 4.449 1.566 13.093) 13.916 11.076 ( 4.250 -4.777 -10.026) 11.891 11.076 ( -4.250 -4.777 10.026) 11.891 11.629 ( 2.884 -3.945 -9.306) 10.511 11.629 ( -2.884 -3.945 9.306) 10.511 12.132 ( 2.313 1.787 -12.002) 12.353 12.132 ( -2.313 1.787 12.002) 12.353 12.444 ( -1.715 -0.163 -11.846) 11.971 12.444 ( 1.715 -0.163 11.846) 11.971 14.033 ( -3.271 13.626 -2.962) 14.323 14.033 ( 3.271 13.626 2.962) 14.323 14.693 ( -1.907 4.802 -2.180) 5.608 14.693 ( 1.907 4.802 2.180) 5.608 15.260 ( -0.280 0.701 -22.976) 22.989 15.260 ( 0.280 0.701 22.976) 22.989 16.118 ( 0.606 -3.701 -1.959) 4.231 16.118 ( -0.606 -3.701 1.959) 4.231 20.237 ( -3.528 2.204 -4.644) 6.234 20.237 ( 3.528 2.204 4.644) 6.234 22.251 ( -0.625 -3.093 -4.462) 5.465 22.251 ( 0.625 -3.093 4.462) 5.465 ======================= Grid point 293 (138/160) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 10.465 8.672 -12.476) 18.449 1.746 ( 5.771 14.157 -19.362) 24.670 1.903 ( 5.131 5.367 15.257) 16.968 2.212 ( 0.576 -0.096 15.431) 15.442 2.536 ( -5.535 -1.020 1.835) 5.920 2.572 ( -2.992 1.104 6.333) 7.091 2.940 ( 1.048 -8.215 -7.707) 11.313 3.022 ( 1.231 -10.232 -6.459) 12.162 3.127 ( -13.048 -3.517 -5.747) 14.685 3.382 ( 6.194 0.832 -16.916) 18.033 3.568 ( -1.054 -5.416 1.863) 5.823 3.620 ( -11.177 -0.938 0.689) 11.237 3.796 ( -3.321 -3.053 -6.425) 7.851 3.869 ( 3.395 -1.174 -7.023) 7.888 3.971 ( -0.137 5.893 7.471) 9.516 4.048 ( -10.487 10.641 6.012) 16.105 4.301 ( 5.115 6.825 -7.184) 11.151 4.465 ( 1.038 15.224 -0.274) 15.262 4.734 ( 10.783 3.508 6.560) 13.100 4.933 ( 4.862 3.648 0.121) 6.080 5.074 ( -8.298 -1.663 4.404) 9.540 5.179 ( 8.726 8.127 -4.961) 12.915 5.235 ( -0.848 1.377 -7.637) 7.807 5.724 ( 9.506 -10.964 -0.912) 14.540 5.822 ( 9.624 2.121 -2.118) 10.080 5.932 ( 2.788 0.133 3.591) 4.548 6.188 ( -2.812 1.353 3.312) 4.550 6.422 ( 7.899 10.114 7.977) 15.110 6.760 ( -7.988 8.065 -8.649) 14.271 7.179 ( 2.526 13.274 6.877) 15.162 7.340 ( -2.572 -2.690 1.186) 3.906 7.450 ( 3.294 4.386 -5.364) 7.672 8.012 ( -3.943 -3.611 -0.976) 5.435 8.076 ( -1.939 -5.558 1.910) 6.188 8.656 ( 6.297 10.604 -10.478) 16.183 9.082 ( 10.375 1.542 20.991) 23.466 9.247 ( -3.444 -0.687 -1.671) 3.889 9.281 ( 0.961 1.765 -1.311) 2.400 9.745 ( -6.536 -0.066 -7.596) 10.021 10.170 ( -2.211 4.510 14.120) 14.987 10.889 ( -8.147 -3.869 -13.777) 16.466 11.040 ( -8.638 -3.589 4.435) 10.352 11.507 ( -5.457 -4.544 -5.925) 9.249 11.687 ( -3.918 -3.849 9.909) 11.329 12.141 ( 12.305 -0.734 -9.593) 15.620 12.312 ( 4.260 1.188 -9.863) 10.809 12.356 ( 10.324 1.672 7.313) 12.762 12.622 ( 3.449 -0.476 9.289) 9.920 13.992 ( 2.226 8.235 -1.928) 8.746 14.165 ( 7.184 14.550 3.477) 16.595 14.635 ( -0.552 5.653 -3.805) 6.837 14.771 ( 4.076 2.790 2.418) 5.500 15.016 ( 4.956 1.212 -23.167) 23.722 15.526 ( 1.237 -0.030 16.665) 16.711 16.063 ( -4.906 -4.989 0.924) 7.058 16.104 ( -4.402 -3.419 1.354) 5.736 20.186 ( 4.679 0.343 -5.116) 6.941 20.399 ( 8.981 3.926 3.047) 10.264 22.193 ( -1.982 -3.398 -0.887) 4.033 22.323 ( -0.376 -2.352 6.552) 6.971 ======================= Grid point 294 (139/160) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 11.836 11.210 -11.942) 20.208 1.641 ( 7.591 15.582 -17.316) 24.500 2.125 ( 0.018 2.745 12.639) 12.933 2.298 ( -1.825 -0.257 10.716) 10.873 2.558 ( 0.159 -6.042 3.452) 6.961 2.711 ( 0.195 -5.157 6.798) 8.535 2.733 ( -13.224 -4.774 -9.526) 16.982 2.886 ( -1.027 1.421 3.477) 3.894 3.013 ( 0.705 -6.741 -1.269) 6.896 3.260 ( -7.152 6.813 -7.130) 12.182 3.391 ( 6.505 -1.053 -11.688) 13.418 3.513 ( -4.419 8.485 -19.127) 21.386 3.748 ( 1.474 -8.505 12.051) 14.823 3.837 ( -0.447 -3.416 -6.026) 6.942 3.946 ( 0.174 -0.379 -7.269) 7.281 4.044 ( -0.168 4.997 -1.854) 5.332 4.271 ( 2.827 -4.975 -1.112) 5.829 4.568 ( 9.784 10.620 -10.098) 17.621 4.788 ( -4.482 3.151 -1.480) 5.675 4.859 ( -1.407 3.518 -1.148) 3.959 5.070 ( -2.891 5.306 0.942) 6.116 5.273 ( 10.405 -1.773 6.960) 12.643 5.415 ( 10.594 6.475 5.697) 13.661 5.834 ( 5.041 -9.379 -0.828) 10.680 5.987 ( 1.733 -2.626 2.696) 4.144 6.018 ( 8.913 2.391 -5.917) 10.962 6.174 ( -0.504 4.163 2.753) 5.016 6.460 ( -9.331 -2.059 -1.585) 9.686 6.617 ( -1.006 8.976 -2.243) 9.306 7.155 ( -4.693 8.948 2.957) 10.527 7.409 ( 3.286 4.543 -7.665) 9.496 7.535 ( 13.489 4.464 4.529) 14.912 7.897 ( -8.828 -5.474 1.949) 10.569 8.041 ( -3.309 -5.559 0.763) 6.514 8.731 ( 14.759 10.328 -7.493) 19.510 9.138 ( -7.182 -1.724 0.170) 7.388 9.266 ( 0.134 7.524 -4.233) 8.634 9.564 ( 11.402 -3.812 19.673) 23.055 9.677 ( 6.385 -1.159 1.838) 6.744 10.247 ( -7.067 5.645 12.189) 15.179 10.544 ( -11.005 -1.786 -13.280) 17.339 10.897 ( -10.604 -2.487 -1.376) 10.978 11.348 ( -5.531 -4.041 -2.867) 7.426 11.675 ( -8.439 -3.534 4.929) 10.392 12.262 ( 10.977 -2.531 -6.307) 12.910 12.364 ( 13.436 -0.094 -4.607) 14.204 12.634 ( 10.697 1.292 6.157) 12.409 12.761 ( 1.864 0.274 5.683) 5.987 14.066 ( 8.420 0.741 -1.506) 8.586 14.347 ( 8.482 10.686 3.360) 14.051 14.607 ( 6.699 3.850 -7.348) 10.663 14.877 ( 6.924 0.069 -8.161) 10.702 14.916 ( 9.851 3.608 -7.233) 12.742 15.631 ( -6.063 -3.405 5.863) 9.096 15.974 ( -8.282 -3.637 -0.998) 9.100 16.028 ( -6.670 -4.613 6.940) 10.674 20.267 ( 10.454 -1.567 -3.964) 11.289 20.581 ( 8.478 4.407 1.113) 9.620 22.170 ( -1.370 -2.781 2.125) 3.758 22.389 ( -2.201 -1.456 7.823) 8.256 ======================= Grid point 295 (140/160) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 14.282 7.877 -19.920) 25.745 1.674 ( 11.414 8.274 -4.679) 14.853 2.163 ( -10.271 -0.668 5.184) 11.525 2.377 ( -5.668 -3.248 -0.504) 6.552 2.439 ( -6.213 4.768 13.276) 15.414 2.526 ( -3.230 -5.837 -4.555) 8.078 2.781 ( 0.541 -2.554 6.637) 7.132 2.981 ( -4.659 2.645 1.165) 5.483 3.042 ( -3.481 -1.532 -5.214) 6.453 3.097 ( 2.461 0.963 3.579) 4.449 3.138 ( -14.854 6.869 0.706) 16.381 3.522 ( 1.813 0.393 -15.592) 15.702 3.635 ( 4.582 2.461 -19.931) 20.599 3.845 ( 13.386 -7.730 -8.261) 17.527 3.919 ( 0.847 -7.596 10.402) 12.908 4.146 ( 14.089 -4.870 -1.451) 14.977 4.381 ( 4.840 -8.231 3.290) 10.099 4.515 ( 2.993 1.195 -13.724) 14.097 4.660 ( -2.132 4.827 -0.376) 5.290 4.995 ( 8.062 4.372 4.902) 10.399 5.023 ( -4.619 11.454 1.850) 12.488 5.485 ( 5.212 -2.850 2.954) 6.634 5.625 ( 5.104 2.075 2.456) 6.033 5.829 ( -3.430 -1.389 -4.536) 5.854 5.964 ( 0.265 -8.095 -3.976) 9.022 6.016 ( -3.981 -2.787 2.865) 5.642 6.172 ( -8.454 0.112 -8.706) 12.136 6.331 ( 4.442 4.823 5.357) 8.467 6.625 ( 1.946 6.566 2.490) 7.286 7.191 ( -0.818 6.667 9.125) 11.331 7.380 ( 5.879 6.263 -9.107) 12.519 7.659 ( -1.085 -2.636 -6.127) 6.757 7.888 ( 1.996 -3.276 8.063) 8.929 7.997 ( -2.978 -3.780 1.182) 4.955 8.952 ( 16.654 8.036 -5.664) 19.339 9.053 ( -3.131 1.525 4.214) 5.467 9.198 ( 0.224 5.919 -5.364) 7.992 9.773 ( 3.528 1.471 5.309) 6.541 10.004 ( 9.390 -6.116 7.199) 13.319 10.175 ( -4.026 -3.021 -4.425) 6.702 10.307 ( -9.034 9.505 4.532) 13.874 10.670 ( -10.228 -3.178 -3.232) 11.187 11.253 ( -2.236 -2.504 -2.768) 4.351 11.541 ( -11.190 -2.885 2.058) 11.737 12.393 ( 10.278 -3.053 -2.081) 10.922 12.566 ( 12.236 -2.248 -1.605) 12.544 12.821 ( -0.015 1.385 2.432) 2.799 12.851 ( 6.549 1.720 4.781) 8.288 14.223 ( 12.299 -5.408 -2.515) 13.669 14.527 ( 11.823 1.379 -0.607) 11.919 14.727 ( 12.788 2.436 -2.338) 13.226 14.884 ( 8.623 0.553 -10.070) 13.269 15.082 ( 9.775 3.087 1.189) 10.319 15.498 ( -10.963 -7.153 0.418) 13.097 15.756 ( -14.899 -6.394 -0.765) 16.231 16.006 ( -6.734 0.480 5.331) 8.602 20.424 ( 11.241 -4.525 -2.037) 12.288 20.703 ( 5.386 1.386 -0.868) 5.629 22.200 ( 0.674 -0.973 3.754) 3.937 22.426 ( -3.984 -0.315 6.996) 8.057 ======================= Grid point 296 (141/160) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 20.867 4.940 -18.035) 28.019 1.856 ( 9.787 1.534 3.033) 10.360 2.007 ( -13.273 -0.370 8.306) 15.661 2.279 ( -3.044 -6.162 -6.648) 9.562 2.460 ( 0.840 0.859 1.901) 2.249 2.519 ( -3.120 4.355 7.108) 8.901 2.755 ( -15.202 1.894 2.909) 15.593 2.857 ( -5.501 6.287 -0.478) 8.367 2.931 ( -5.345 1.364 -0.954) 5.598 2.980 ( -1.552 -1.078 -2.262) 2.947 3.065 ( -4.613 -2.851 -11.773) 12.961 3.195 ( -3.998 -1.205 -3.935) 5.738 3.741 ( 10.308 -3.951 -1.518) 11.144 3.950 ( -1.868 -7.144 1.023) 7.455 4.085 ( 12.014 -8.992 0.061) 15.006 4.382 ( 0.070 -3.458 -4.882) 5.983 4.499 ( 2.287 0.759 0.318) 2.431 4.523 ( 27.551 -7.017 -1.058) 28.450 4.704 ( 2.705 3.532 1.930) 4.850 4.976 ( 0.278 8.371 3.574) 9.106 5.191 ( 6.026 -1.910 3.040) 7.015 5.475 ( -3.780 -1.673 -1.606) 4.435 5.573 ( -13.299 -8.366 -0.133) 15.712 5.751 ( 0.792 2.739 -9.266) 9.695 5.880 ( -0.872 -2.653 -3.536) 4.506 5.931 ( -7.045 1.530 -0.775) 7.251 6.046 ( 0.498 -0.856 3.486) 3.624 6.350 ( -6.817 7.745 -1.333) 10.404 6.852 ( 14.345 2.310 10.564) 17.964 7.299 ( 0.262 1.780 7.490) 7.703 7.379 ( 3.342 3.273 -5.813) 7.461 7.524 ( -4.928 0.663 -5.727) 7.584 7.967 ( -1.177 -2.243 1.589) 2.991 7.975 ( 0.158 -3.197 0.419) 3.228 9.005 ( -0.179 0.502 1.644) 1.728 9.088 ( -1.782 10.529 -1.681) 10.810 9.326 ( 17.892 0.200 -1.962) 18.001 9.747 ( -7.652 3.044 -1.715) 8.412 10.028 ( 4.714 0.701 -5.783) 7.493 10.169 ( -11.999 8.698 4.097) 15.376 10.326 ( 10.250 -4.790 2.236) 11.532 10.543 ( -5.425 -2.585 3.450) 6.930 11.200 ( 2.167 -1.789 -5.343) 6.037 11.363 ( -12.217 -2.155 2.917) 12.743 12.544 ( 8.215 -4.388 -0.211) 9.316 12.695 ( 3.635 -3.582 -2.029) 5.492 12.857 ( 2.900 3.805 2.126) 5.235 12.963 ( 1.223 2.643 2.247) 3.678 14.434 ( 15.842 -9.878 -2.322) 18.813 14.762 ( 15.963 -5.182 -1.281) 16.831 14.864 ( -0.940 -3.993 -1.326) 4.311 14.951 ( 9.829 1.094 0.084) 9.890 15.146 ( -5.439 -6.808 -1.817) 8.901 15.442 ( 8.510 3.453 0.384) 9.191 15.463 ( -17.317 -7.147 -0.526) 18.741 15.893 ( -11.418 3.959 1.822) 12.222 20.584 ( 8.303 -7.637 0.131) 11.282 20.744 ( 1.400 -4.187 -2.099) 4.889 22.274 ( 3.134 1.083 2.729) 4.294 22.416 ( -5.058 1.126 4.305) 6.737 ======================= Grid point 297 (142/160) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 18.146 2.451 -10.719) 21.217 1.834 ( -18.146 2.451 10.719) 21.217 2.104 ( -6.602 -3.543 -8.509) 11.338 2.104 ( 6.602 -3.543 8.509) 11.338 2.531 ( 7.118 2.602 -8.290) 11.232 2.531 ( -7.118 2.602 8.290) 11.232 2.624 ( 0.613 1.905 -10.319) 10.511 2.624 ( -0.613 1.905 10.319) 10.511 2.927 ( -2.679 3.029 -2.928) 4.992 2.927 ( 2.679 3.029 2.928) 4.992 3.080 ( -3.562 -3.947 -3.971) 6.636 3.080 ( 3.562 -3.947 3.971) 6.636 3.879 ( -0.995 -6.300 -3.611) 7.329 3.879 ( 0.995 -6.300 3.611) 7.329 4.274 ( -2.956 -7.729 -6.145) 10.307 4.274 ( 2.956 -7.729 6.145) 10.307 4.586 ( -2.358 6.563 -2.733) 7.490 4.586 ( 2.358 6.563 2.733) 7.490 5.024 ( -12.251 -6.109 -4.403) 14.381 5.024 ( 12.251 -6.109 4.403) 14.381 5.255 ( -15.749 -7.385 0.594) 17.404 5.255 ( 15.749 -7.385 -0.594) 17.404 5.559 ( -6.174 3.837 -9.784) 12.189 5.559 ( 6.174 3.837 9.784) 12.189 5.867 ( 1.441 0.430 -1.792) 2.340 5.867 ( -1.441 0.430 1.792) 2.340 6.178 ( -6.340 4.821 -5.360) 9.600 6.178 ( 6.340 4.821 5.360) 9.600 7.212 ( -9.554 -2.756 -10.592) 14.529 7.212 ( 9.554 -2.756 10.592) 14.529 7.405 ( 3.802 5.706 -11.357) 13.266 7.405 ( -3.802 5.706 11.357) 13.266 7.968 ( 0.091 -2.786 -1.113) 3.001 7.968 ( -0.091 -2.786 1.113) 3.001 9.037 ( -0.101 3.779 -2.851) 4.735 9.037 ( 0.101 3.779 2.851) 4.735 9.575 ( -6.936 1.976 -2.551) 7.650 9.575 ( 6.936 1.976 2.551) 7.650 10.053 ( 7.475 6.389 -6.927) 12.028 10.053 ( -7.475 6.389 6.927) 12.028 10.483 ( -0.343 -3.632 -1.036) 3.793 10.483 ( 0.343 -3.632 1.036) 3.793 11.225 ( 8.544 -1.569 -5.376) 10.216 11.225 ( -8.544 -1.569 5.376) 10.216 12.658 ( -4.391 -4.204 -0.802) 6.132 12.658 ( 4.391 -4.204 0.802) 6.132 12.948 ( -2.501 3.647 -0.998) 4.533 12.948 ( 2.501 3.647 0.998) 4.533 14.695 ( -14.341 -11.023 0.613) 18.098 14.695 ( 14.341 -11.023 -0.613) 18.098 14.999 ( -8.802 -3.630 -1.800) 9.689 14.999 ( 8.802 -3.630 1.800) 9.689 15.162 ( -14.339 -6.317 -1.459) 15.737 15.162 ( 14.339 -6.317 1.459) 15.737 15.674 ( -12.693 6.291 -1.171) 14.215 15.674 ( 12.693 6.291 1.171) 14.215 20.700 ( -3.545 -7.971 -1.889) 8.926 20.700 ( 3.545 -7.971 1.889) 8.926 22.359 ( -4.779 1.912 0.551) 5.177 22.359 ( 4.779 1.912 -0.551) 5.177 ======================= Grid point 303 (143/160) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.650 5.609 -10.393) 11.828 1.695 ( -0.650 5.609 10.393) 11.828 2.121 ( 6.087 4.187 -14.683) 16.437 2.121 ( -6.087 4.187 14.683) 16.437 2.569 ( -0.055 -2.207 -5.295) 5.737 2.569 ( 0.055 -2.207 5.295) 5.737 2.764 ( 1.537 -11.868 -4.334) 12.728 2.764 ( -1.537 -11.868 4.334) 12.728 3.197 ( -3.339 -10.298 -5.075) 11.956 3.197 ( 3.339 -10.298 5.075) 11.956 3.519 ( -3.906 -7.554 -5.994) 10.404 3.519 ( 3.906 -7.554 5.994) 10.404 4.132 ( -2.034 23.138 -14.454) 27.357 4.132 ( 2.034 23.138 14.454) 27.357 4.296 ( -18.821 8.253 -4.309) 20.998 4.296 ( 18.821 8.253 4.309) 20.998 4.523 ( 1.560 10.967 -7.536) 13.398 4.523 ( -1.560 10.967 7.536) 13.398 4.892 ( -5.732 6.852 -8.096) 12.056 4.892 ( 5.732 6.852 8.096) 12.056 5.224 ( 0.339 5.768 -4.406) 7.266 5.224 ( -0.339 5.768 4.406) 7.266 5.426 ( -3.790 -1.089 -3.263) 5.118 5.426 ( 3.790 -1.089 3.263) 5.118 5.855 ( -2.124 3.043 -3.166) 4.878 5.855 ( 2.124 3.043 3.166) 4.878 6.316 ( -4.375 0.160 -9.401) 10.370 6.316 ( 4.375 0.160 9.401) 10.370 7.109 ( -5.711 -0.465 -7.479) 9.422 7.109 ( 5.711 -0.465 7.479) 9.422 7.533 ( 4.543 7.488 -3.592) 9.466 7.533 ( -4.543 7.488 3.592) 9.466 7.955 ( 0.822 -5.396 -4.339) 6.973 7.955 ( -0.822 -5.396 4.339) 6.973 8.928 ( 4.022 8.584 -11.837) 15.165 8.928 ( -4.022 8.584 11.837) 15.165 9.332 ( -0.145 5.052 -1.951) 5.418 9.332 ( 0.145 5.052 1.951) 5.418 10.052 ( -7.559 5.119 -12.796) 15.719 10.052 ( 7.559 5.119 12.796) 15.719 10.924 ( 4.911 -9.646 -10.259) 14.913 10.924 ( -4.911 -9.646 10.259) 14.913 11.510 ( 1.385 -7.067 -7.857) 10.658 11.510 ( -1.385 -7.067 7.857) 10.658 12.190 ( 0.958 3.510 -10.242) 10.869 12.190 ( -0.958 3.510 10.242) 10.869 12.440 ( -0.891 -0.247 -10.383) 10.424 12.440 ( 0.891 -0.247 10.383) 10.424 14.366 ( -5.838 16.519 -3.292) 17.826 14.366 ( 5.838 16.519 3.292) 17.826 14.833 ( -0.797 7.936 -1.452) 8.107 14.833 ( 0.797 7.936 1.452) 8.107 15.275 ( 0.718 0.712 -21.221) 21.245 15.275 ( -0.718 0.712 21.221) 21.245 15.997 ( -1.126 -7.922 -1.477) 8.137 15.997 ( 1.126 -7.922 1.477) 8.137 20.351 ( -5.342 8.971 -4.097) 11.216 20.351 ( 5.342 8.971 4.097) 11.216 22.152 ( -0.729 -6.315 -4.632) 7.866 22.152 ( 0.729 -6.315 4.632) 7.866 ======================= Grid point 305 (144/160) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 10.355 11.106 -2.308) 15.359 1.868 ( 5.574 3.089 3.666) 7.352 2.107 ( 6.071 7.552 -1.862) 9.867 2.208 ( -1.931 0.204 10.356) 10.537 2.486 ( -4.511 -3.388 -3.379) 6.576 2.538 ( -9.798 -5.024 8.479) 13.898 2.746 ( -1.412 -9.107 0.561) 9.233 2.796 ( 3.434 -8.871 -2.876) 9.938 3.023 ( -10.110 -5.877 -4.722) 12.611 3.295 ( 1.715 -15.012 5.070) 15.937 3.371 ( -0.998 -5.233 -6.866) 8.690 3.571 ( -2.280 -7.866 -1.184) 8.275 3.868 ( -6.665 16.079 -10.672) 20.417 4.026 ( -2.081 12.377 -8.681) 15.261 4.217 ( -3.329 15.149 -1.368) 15.570 4.360 ( -11.061 16.476 1.407) 19.894 4.483 ( 2.690 11.935 -13.141) 17.954 4.686 ( 9.138 -1.413 0.721) 9.275 4.829 ( 4.585 11.891 5.199) 13.764 5.013 ( -3.868 3.627 5.746) 7.819 5.092 ( -6.368 4.640 -4.571) 9.109 5.286 ( -2.251 2.709 -1.372) 3.780 5.359 ( 9.554 7.341 1.032) 12.093 5.565 ( 7.604 -4.545 -1.007) 8.916 5.846 ( 2.331 -0.747 0.799) 2.575 5.986 ( 9.131 5.261 0.748) 10.564 6.182 ( -1.680 -2.943 -3.736) 5.044 6.496 ( -0.741 -2.535 7.432) 7.887 6.894 ( -5.855 4.817 -3.726) 8.448 7.280 ( 5.874 -2.107 -2.197) 6.616 7.459 ( -4.746 8.558 6.107) 11.535 7.608 ( 6.230 9.430 -3.648) 11.876 7.896 ( -1.165 -8.368 -2.390) 8.780 7.965 ( -2.471 -2.280 0.095) 3.364 8.919 ( 4.182 12.320 -3.703) 13.527 9.114 ( 5.128 2.666 16.661) 17.635 9.253 ( -3.585 2.758 -3.068) 5.466 9.395 ( 4.983 8.427 -0.540) 9.805 9.772 ( -7.886 3.297 -7.957) 11.678 10.272 ( -0.679 4.269 12.332) 13.068 10.785 ( -4.259 -5.630 -12.255) 14.143 10.926 ( -6.255 -7.158 5.886) 11.181 11.370 ( -6.815 -8.007 -5.076) 11.676 11.563 ( -3.732 -7.837 8.499) 12.149 12.163 ( 7.873 2.965 -8.386) 11.879 12.351 ( 5.610 2.329 -9.775) 11.508 12.392 ( 9.708 1.681 7.422) 12.336 12.600 ( 4.007 -1.760 8.171) 9.269 14.224 ( -5.501 12.837 -2.854) 14.254 14.481 ( 4.123 13.802 0.912) 14.434 14.784 ( -1.800 6.955 -2.519) 7.613 14.882 ( 4.071 8.658 0.111) 9.568 15.064 ( 4.010 3.867 -19.429) 20.212 15.501 ( -0.707 -2.754 14.882) 15.151 15.917 ( -6.228 -8.779 2.629) 11.080 15.983 ( -5.550 -8.114 0.794) 9.863 20.263 ( 1.000 7.372 -4.001) 8.447 20.518 ( 7.991 7.156 2.839) 11.096 22.095 ( -1.766 -5.610 0.166) 5.883 22.242 ( 1.176 -5.391 6.296) 8.372 ======================= Grid point 306 (145/160) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 5.600 12.259 -8.543) 15.958 1.932 ( 4.523 10.031 -10.814) 15.428 2.191 ( -4.403 2.965 8.591) 10.099 2.266 ( 0.101 -1.487 7.582) 7.728 2.433 ( -1.130 -5.647 1.677) 5.998 2.582 ( -6.228 -6.958 10.062) 13.728 2.622 ( -2.698 -5.137 -2.113) 6.175 2.800 ( -4.887 -7.686 2.921) 9.565 2.902 ( 1.987 -4.051 4.575) 6.426 3.311 ( -2.910 -4.079 -6.182) 7.957 3.338 ( 2.555 -8.918 -1.846) 9.459 3.554 ( 1.761 -5.417 6.995) 9.021 3.689 ( -0.486 9.116 -11.842) 14.952 3.956 ( 0.709 6.815 -5.182) 8.590 3.963 ( -11.226 11.938 -11.762) 20.172 4.245 ( -7.605 10.011 -17.019) 21.159 4.266 ( 0.112 7.850 -3.536) 8.611 4.702 ( 1.049 1.205 -9.871) 9.999 4.875 ( -9.372 5.502 2.128) 11.074 4.998 ( 2.526 6.390 0.253) 6.875 5.114 ( 10.378 0.929 4.977) 11.547 5.278 ( -0.880 2.522 3.511) 4.412 5.575 ( 7.796 6.860 4.410) 11.282 5.665 ( 5.741 -6.964 -0.631) 9.047 5.895 ( 0.921 -5.510 1.900) 5.900 5.986 ( -2.837 -6.569 -11.839) 13.833 6.279 ( 6.951 4.669 7.333) 11.130 6.403 ( -7.923 -1.106 -1.465) 8.133 6.819 ( -1.710 9.752 -3.506) 10.503 7.279 ( -0.698 2.251 -0.794) 2.487 7.511 ( 1.952 4.060 0.201) 4.510 7.709 ( 8.816 9.173 1.056) 12.766 7.862 ( -2.766 -1.781 -2.679) 4.243 7.888 ( -4.328 -3.987 2.371) 6.344 8.948 ( 7.749 10.027 -7.223) 14.587 9.133 ( -4.877 2.139 -2.226) 5.772 9.453 ( 5.304 4.481 13.302) 15.005 9.497 ( 6.218 3.552 3.938) 8.172 9.686 ( 5.426 1.939 1.531) 5.963 10.284 ( -9.086 -2.259 1.712) 9.518 10.566 ( -5.862 2.742 -3.136) 7.192 10.842 ( -9.349 -1.292 -0.810) 9.472 11.215 ( -5.165 -8.717 -0.442) 10.142 11.559 ( -6.739 -7.576 4.486) 11.087 12.232 ( 9.928 1.127 -6.285) 11.804 12.408 ( 11.718 3.404 -5.904) 13.556 12.649 ( 10.082 0.066 5.652) 11.558 12.748 ( 3.193 -1.802 5.428) 6.551 14.132 ( -1.507 5.596 -1.712) 6.043 14.539 ( -0.248 6.202 2.589) 6.726 14.721 ( 3.470 6.812 -7.862) 10.966 14.897 ( 7.183 1.836 -13.480) 15.385 15.061 ( 8.971 10.450 -0.325) 13.776 15.497 ( -10.291 -9.291 1.721) 13.971 15.820 ( -13.851 -10.640 0.385) 17.471 15.942 ( -0.359 -3.649 9.353) 10.046 20.277 ( 4.594 2.824 -2.791) 6.072 20.651 ( 3.840 1.701 1.108) 4.343 22.106 ( 0.776 -2.747 3.233) 4.312 22.335 ( -0.359 -3.756 7.635) 8.516 ======================= Grid point 307 (146/160) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 7.608 9.329 -16.649) 20.545 1.851 ( 2.866 8.587 -5.754) 10.727 2.130 ( -10.523 -2.540 3.054) 11.248 2.281 ( -4.365 -4.081 -1.543) 6.172 2.422 ( -2.826 -4.331 2.107) 5.584 2.550 ( -0.560 3.356 11.491) 11.984 2.718 ( -1.821 -3.959 7.184) 8.402 2.794 ( 1.288 -10.244 1.027) 10.375 3.065 ( -0.647 -1.522 11.332) 11.452 3.148 ( -2.014 -1.380 -9.644) 9.948 3.276 ( -12.087 4.874 1.025) 13.073 3.563 ( -5.686 2.323 -15.370) 16.552 3.614 ( -5.127 -0.823 -7.715) 9.300 3.723 ( 1.816 -8.376 5.289) 10.072 3.919 ( 9.918 13.130 -13.760) 21.450 3.967 ( 5.504 -9.740 -7.155) 13.280 4.298 ( 2.640 -0.205 -1.585) 3.086 4.573 ( 0.106 4.554 -6.903) 8.271 4.776 ( -3.721 5.221 1.951) 6.701 5.104 ( 5.540 3.818 2.337) 7.122 5.233 ( -4.667 8.168 3.718) 10.116 5.361 ( 5.597 -7.345 1.353) 9.333 5.607 ( -9.263 -7.359 -1.482) 11.923 5.770 ( 6.908 -4.874 -1.990) 8.686 5.780 ( -1.122 -5.021 -4.918) 7.117 5.944 ( 0.317 -2.664 4.392) 5.146 6.218 ( -5.159 4.905 -6.770) 9.824 6.476 ( 4.796 6.403 2.914) 8.514 6.773 ( 0.471 7.512 -0.144) 7.528 7.271 ( 0.066 2.079 1.059) 2.333 7.498 ( -1.221 3.148 -2.394) 4.139 7.732 ( -3.236 7.490 -4.833) 9.483 7.862 ( 2.086 -3.649 2.863) 5.086 7.916 ( 2.470 1.103 3.364) 4.317 8.999 ( 4.101 1.697 -5.110) 6.768 9.108 ( 6.289 1.228 -1.637) 6.614 9.440 ( -1.498 13.923 -1.584) 14.093 9.816 ( 6.151 -1.719 12.810) 14.313 9.898 ( 11.009 0.230 2.614) 11.318 10.096 ( -3.750 -2.197 -5.155) 6.742 10.516 ( -5.748 3.626 7.438) 10.075 10.598 ( -12.377 1.811 -5.317) 13.592 11.169 ( -1.516 -5.662 -0.108) 5.863 11.449 ( -9.061 -5.942 0.895) 10.872 12.340 ( 8.612 -0.654 -2.446) 8.976 12.567 ( 11.250 1.857 -3.416) 11.903 12.835 ( 0.926 -0.813 3.896) 4.086 12.860 ( 7.808 -0.648 3.657) 8.647 14.137 ( 3.690 -1.923 -0.726) 4.224 14.521 ( -1.652 -1.823 0.713) 2.561 14.766 ( 8.470 0.792 -5.987) 10.402 14.905 ( 8.023 1.692 -7.243) 10.941 15.159 ( -2.091 0.295 -1.461) 2.568 15.372 ( -0.790 -3.257 0.777) 3.440 15.551 ( -13.925 -9.249 -0.803) 16.736 16.023 ( -2.756 0.217 6.451) 7.019 20.329 ( 4.185 -3.974 -1.536) 5.972 20.665 ( -1.930 -5.154 -0.950) 5.585 22.192 ( 3.510 0.483 4.244) 5.529 22.405 ( -1.742 -1.722 6.947) 7.366 ======================= Grid point 308 (147/160) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 15.200 4.403 -17.555) 23.634 1.892 ( 3.843 1.789 2.296) 4.821 1.984 ( -11.508 -1.710 6.073) 13.124 2.173 ( -3.726 -3.704 -4.293) 6.784 2.451 ( 2.559 -1.456 2.353) 3.769 2.615 ( -4.068 3.775 6.352) 8.435 2.737 ( -5.426 -2.744 1.328) 6.224 2.833 ( 0.501 -8.072 3.710) 8.898 2.988 ( -8.272 -0.150 -12.805) 15.245 3.030 ( -4.897 4.415 0.895) 6.653 3.051 ( -6.822 6.256 -4.942) 10.493 3.187 ( -9.660 -0.242 -6.274) 11.522 3.608 ( 6.200 -8.483 2.112) 10.717 3.815 ( 0.246 -9.713 4.389) 10.662 3.890 ( 3.648 -4.352 -8.194) 9.970 4.207 ( -8.165 -12.725 -3.350) 15.486 4.307 ( 26.423 -8.940 3.166) 28.074 4.623 ( 7.926 8.650 -1.182) 11.792 4.805 ( 1.589 5.869 4.106) 7.337 5.128 ( -5.296 2.781 -3.606) 6.985 5.172 ( -0.343 2.250 -1.554) 2.756 5.306 ( -17.649 -15.409 -0.478) 23.434 5.468 ( 3.578 0.737 4.516) 5.809 5.772 ( 0.459 -1.529 -2.343) 2.835 5.844 ( 4.445 0.263 -3.549) 5.695 5.989 ( -1.836 3.446 0.436) 3.929 6.111 ( 1.846 5.844 0.794) 6.180 6.465 ( -5.453 3.178 -3.649) 7.290 6.883 ( 7.858 0.668 6.129) 9.988 7.276 ( 0.248 -2.140 -5.574) 5.975 7.454 ( -3.845 3.278 6.989) 8.624 7.650 ( 0.543 8.234 -6.796) 10.691 7.898 ( -0.799 -2.840 3.724) 4.751 7.967 ( 1.068 2.005 -1.567) 2.759 9.012 ( 2.152 0.351 -0.022) 2.181 9.153 ( -0.252 -3.722 -3.444) 5.077 9.492 ( 9.224 13.551 0.111) 16.392 9.813 ( -6.455 2.805 -1.777) 7.259 10.095 ( 8.456 6.133 -0.291) 10.450 10.204 ( 10.308 -5.762 4.061) 12.487 10.353 ( -9.394 4.564 -2.685) 10.784 10.496 ( -7.416 1.346 6.892) 10.213 11.147 ( 1.999 -3.315 -3.436) 5.176 11.295 ( -9.631 -4.272 1.370) 10.625 12.463 ( 6.914 -2.773 0.369) 7.459 12.646 ( 1.950 -1.390 -3.562) 4.292 12.911 ( 3.616 0.938 3.072) 4.837 12.989 ( 2.942 -0.222 1.729) 3.420 14.242 ( 8.781 -7.156 0.419) 11.335 14.555 ( 3.661 -12.812 -0.246) 13.327 14.726 ( -6.217 -7.076 -0.905) 9.462 15.000 ( 8.176 3.477 -1.968) 9.100 15.074 ( -3.114 -3.202 -4.312) 6.209 15.178 ( -14.029 -13.649 -0.256) 19.575 15.610 ( 12.228 9.348 0.680) 15.406 15.984 ( -7.877 3.681 2.508) 9.049 20.387 ( 3.755 -10.293 0.259) 10.960 20.583 ( -4.650 -10.743 -2.360) 11.942 22.308 ( 4.665 2.007 2.705) 5.754 22.433 ( -3.062 0.326 4.334) 5.317 ======================= Grid point 309 (148/160) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 15.733 -1.494 -12.446) 20.116 1.856 ( -15.733 -1.494 12.446) 20.116 2.038 ( -4.555 -2.219 -6.346) 8.121 2.038 ( 4.555 -2.219 6.346) 8.121 2.570 ( -6.228 0.870 -3.133) 7.026 2.570 ( 6.228 0.870 3.133) 7.026 2.668 ( -0.230 2.023 -9.138) 9.362 2.668 ( 0.230 2.023 9.138) 9.362 2.963 ( -4.768 -0.795 -6.276) 7.921 2.963 ( 4.768 -0.795 6.276) 7.921 3.030 ( 3.704 1.005 -8.100) 8.964 3.030 ( -3.704 1.005 8.100) 8.964 3.750 ( -2.264 -6.144 -7.302) 9.808 3.750 ( 2.264 -6.144 7.302) 9.808 4.002 ( -1.830 -16.539 -8.508) 18.689 4.002 ( 1.830 -16.539 8.508) 18.689 4.717 ( 0.720 1.583 -6.635) 6.859 4.717 ( -0.720 1.583 6.635) 6.859 4.872 ( -6.707 -3.821 -11.561) 13.901 4.872 ( 6.707 -3.821 11.561) 13.901 5.144 ( 7.230 -1.803 -5.526) 9.277 5.144 ( -7.230 -1.803 5.526) 9.277 5.648 ( -5.458 1.759 -8.421) 10.188 5.648 ( 5.458 1.759 8.421) 10.188 5.902 ( -4.689 4.293 -0.182) 6.360 5.902 ( 4.689 4.293 0.182) 6.360 6.277 ( -7.243 3.853 -7.032) 10.805 6.277 ( 7.243 3.853 7.032) 10.805 7.115 ( -6.706 -6.063 -8.691) 12.541 7.115 ( 6.706 -6.063 8.691) 12.541 7.549 ( -0.104 7.249 -10.203) 12.516 7.549 ( 0.104 7.249 10.203) 12.516 7.937 ( 0.168 0.353 -3.823) 3.843 7.937 ( -0.168 0.353 3.823) 3.843 9.075 ( -3.513 -1.117 -1.685) 4.054 9.075 ( 3.513 -1.117 1.685) 4.054 9.668 ( -6.313 7.139 -2.668) 9.897 9.668 ( 6.313 7.139 2.668) 9.897 10.205 ( -0.418 5.899 -2.490) 6.416 10.205 ( 0.418 5.899 2.490) 6.416 10.404 ( -6.851 -2.012 0.350) 7.149 10.404 ( 6.851 -2.012 -0.350) 7.149 11.178 ( 5.283 -2.890 -3.983) 7.220 11.178 ( -5.283 -2.890 3.983) 7.220 12.579 ( -4.423 -3.301 -2.241) 5.957 12.579 ( 4.423 -3.301 2.241) 5.957 12.997 ( -1.023 0.787 -1.729) 2.157 12.997 ( 1.023 0.787 1.729) 2.157 14.437 ( -9.696 -11.656 -2.165) 15.315 14.437 ( 9.696 -11.657 2.165) 15.315 14.826 ( -14.930 -13.099 -0.207) 19.863 14.826 ( 14.930 -13.099 0.207) 19.863 15.093 ( -1.997 1.553 -1.626) 3.007 15.093 ( 1.997 1.553 1.626) 3.007 15.827 ( -10.769 7.150 -0.394) 12.933 15.827 ( 10.769 7.150 0.394) 12.932 20.473 ( -4.578 -12.914 -2.062) 13.855 20.473 ( 4.578 -12.914 2.062) 13.855 22.400 ( -4.213 1.757 0.604) 4.604 22.400 ( 4.213 1.757 -0.604) 4.604 ======================= Grid point 315 (149/160) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.515 1.687 -8.540) 8.720 1.785 ( -0.515 1.687 8.540) 8.720 2.172 ( 5.378 2.352 -10.335) 11.886 2.172 ( -5.378 2.352 10.335) 11.886 2.467 ( -0.690 -6.848 -6.183) 9.252 2.467 ( 0.690 -6.848 6.183) 9.252 2.638 ( -4.627 0.660 -2.866) 5.482 2.638 ( 4.627 0.660 2.866) 5.482 2.969 ( -0.301 -10.914 -3.305) 11.408 2.969 ( 0.301 -10.914 3.305) 11.408 3.406 ( -2.045 -3.094 -5.746) 6.840 3.406 ( 2.045 -3.094 5.746) 6.840 4.298 ( -7.419 -0.456 -2.915) 7.984 4.298 ( 7.419 -0.456 2.915) 7.984 4.674 ( -3.450 18.519 -4.285) 19.319 4.674 ( 3.450 18.519 4.285) 19.319 4.831 ( -12.730 16.285 -0.513) 20.676 4.831 ( 12.730 16.285 0.513) 20.676 5.009 ( -1.056 5.156 -5.676) 7.741 5.009 ( 1.056 5.156 5.676) 7.741 5.301 ( 2.639 -0.530 -2.907) 3.962 5.301 ( -2.639 -0.530 2.907) 3.962 5.441 ( 4.462 3.944 -13.355) 14.623 5.441 ( -4.462 3.944 13.355) 14.623 5.934 ( -5.541 3.394 -4.447) 7.874 5.934 ( 5.541 3.394 4.447) 7.874 6.223 ( -2.075 -8.285 -13.146) 15.677 6.223 ( 2.075 -8.285 13.146) 15.677 7.075 ( -3.257 -1.319 -2.609) 4.376 7.075 ( 3.257 -1.319 2.609) 4.376 7.596 ( -5.643 -1.883 0.126) 5.950 7.596 ( 5.643 -1.883 -0.126) 5.950 7.877 ( -3.150 -1.216 -2.498) 4.200 7.877 ( 3.150 -1.216 2.498) 4.200 9.070 ( 3.368 3.848 -6.782) 8.494 9.070 ( -3.368 3.848 6.782) 8.494 9.518 ( -1.847 11.687 -4.844) 12.786 9.518 ( 1.847 11.687 4.844) 12.786 10.186 ( -7.777 6.891 -9.968) 14.399 10.186 ( 7.777 6.891 9.968) 14.399 10.690 ( 5.248 -11.741 -7.880) 15.082 10.690 ( -5.248 -11.741 7.880) 15.082 11.359 ( 0.011 -6.486 -5.064) 8.229 11.359 ( -0.011 -6.486 5.064) 8.229 12.263 ( 0.206 2.977 -6.356) 7.022 12.263 ( -0.206 2.977 6.356) 7.022 12.433 ( -0.050 -0.466 -6.753) 6.769 12.433 ( 0.050 -0.466 6.753) 6.769 14.682 ( -2.571 12.985 -7.882) 15.406 14.682 ( 2.571 12.985 7.882) 15.406 14.975 ( -1.191 3.638 -10.225) 10.918 14.975 ( 1.191 3.638 10.225) 10.918 15.319 ( 2.293 5.156 -12.967) 14.142 15.319 ( -2.293 5.156 12.967) 14.142 15.787 ( -2.096 -11.906 -1.930) 12.242 15.787 ( 2.096 -11.906 1.930) 12.242 20.582 ( -4.698 11.271 -2.335) 12.433 20.582 ( 4.698 11.271 2.335) 12.433 22.001 ( -0.814 -7.336 -3.465) 8.154 22.001 ( 0.814 -7.336 3.465) 8.154 ======================= Grid point 317 (150/160) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 7.882 2.321 4.560) 9.397 2.013 ( 6.066 5.085 14.361) 16.398 2.145 ( 5.496 -1.276 -5.866) 8.139 2.205 ( -3.710 1.596 8.495) 9.406 2.381 ( -3.970 -6.533 -1.311) 7.757 2.482 ( -5.408 1.178 -0.930) 5.613 2.579 ( -1.257 -6.198 3.902) 7.431 2.712 ( 1.482 0.870 -2.708) 3.207 2.881 ( -5.753 -8.168 -1.541) 10.109 3.019 ( 1.186 -10.436 1.311) 10.585 3.257 ( -1.994 -3.323 -6.164) 7.281 3.402 ( -3.285 -7.615 -1.449) 8.419 4.131 ( -7.658 8.119 -1.908) 11.323 4.357 ( 0.794 6.253 -7.499) 9.796 4.472 ( -8.545 14.486 -7.040) 18.233 4.636 ( -7.591 10.275 0.509) 12.785 4.725 ( -5.685 8.921 1.530) 10.689 4.804 ( -2.413 15.211 -9.590) 18.143 5.050 ( -1.771 6.323 1.054) 6.651 5.062 ( 4.334 2.934 -3.142) 6.104 5.219 ( -8.767 3.897 -0.228) 9.596 5.328 ( 2.375 3.042 -2.028) 4.360 5.417 ( 10.501 -2.606 -7.395) 13.105 5.547 ( 0.243 2.142 8.864) 9.122 5.827 ( -1.928 -0.848 -2.553) 3.310 6.019 ( -3.315 -6.499 -10.791) 13.026 6.129 ( 8.180 2.716 6.700) 10.917 6.361 ( -4.820 -8.679 12.362) 15.855 7.005 ( 1.893 6.279 -0.283) 6.564 7.231 ( 10.820 -2.787 -5.061) 12.265 7.515 ( -4.208 -0.756 2.362) 4.885 7.670 ( 0.579 -8.079 0.905) 8.150 7.820 ( 2.183 5.665 -2.618) 6.611 7.949 ( 1.896 -0.558 1.509) 2.487 9.099 ( 4.989 4.678 -2.500) 7.281 9.158 ( 2.247 0.516 8.807) 9.104 9.419 ( -0.945 12.192 -6.957) 14.069 9.602 ( 3.585 9.075 1.242) 9.836 9.905 ( -9.180 9.466 -7.511) 15.176 10.300 ( -5.796 -2.770 6.098) 8.858 10.680 ( 3.587 -3.912 -8.510) 10.030 10.767 ( 0.738 -6.815 10.081) 12.191 11.214 ( -9.927 -5.331 -2.811) 11.613 11.376 ( -4.903 -9.358 6.667) 12.493 12.253 ( 5.778 5.099 -4.977) 9.173 12.388 ( 8.480 0.342 -5.792) 10.275 12.429 ( 5.878 2.169 4.595) 7.769 12.548 ( 4.041 -3.091 5.746) 7.675 14.494 ( -7.632 12.078 -5.922) 15.466 14.699 ( -2.292 5.788 -5.354) 8.211 14.902 ( 4.551 5.886 -8.305) 11.151 15.095 ( -1.743 9.014 7.768) 12.026 15.208 ( 1.107 9.895 -8.106) 12.839 15.406 ( -5.193 -5.449 7.000) 10.278 15.711 ( -4.317 -10.253 5.905) 12.595 15.771 ( -6.408 -11.775 0.619) 13.419 20.474 ( -3.912 11.503 -2.589) 12.422 20.663 ( 1.615 5.197 0.842) 5.506 21.985 ( 1.011 -3.915 2.076) 4.546 22.104 ( 3.469 -7.344 5.596) 9.863 ======================= Grid point 318 (151/160) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -0.319 7.045 -8.085) 10.729 2.050 ( 3.642 3.597 6.139) 7.993 2.243 ( -5.292 0.966 1.806) 5.674 2.287 ( 2.173 -3.169 -1.377) 4.081 2.352 ( -4.724 4.511 -4.400) 7.876 2.436 ( 3.668 -5.906 19.581) 20.779 2.523 ( -1.275 -4.147 -3.854) 5.803 2.655 ( -7.494 -5.358 6.584) 11.324 2.824 ( 0.011 -3.156 3.253) 4.533 3.043 ( 2.247 -12.882 -3.197) 13.462 3.248 ( 4.629 -2.695 -0.760) 5.410 3.397 ( 1.248 -8.074 5.135) 9.649 3.945 ( -10.960 11.101 -4.477) 16.230 4.160 ( -13.636 8.189 -12.718) 20.366 4.205 ( -6.860 10.087 -11.830) 16.993 4.444 ( -6.475 13.563 -12.117) 19.305 4.533 ( -9.945 7.979 -6.875) 14.486 4.722 ( -4.062 5.456 3.347) 7.581 4.939 ( -9.298 -1.120 1.495) 9.483 5.071 ( -3.948 2.436 0.151) 4.641 5.154 ( 11.875 1.755 -6.495) 13.648 5.359 ( 1.485 4.406 1.695) 4.949 5.503 ( 0.832 -9.089 -0.585) 9.145 5.608 ( 3.906 -6.467 -5.723) 9.478 5.792 ( -3.694 -2.979 0.663) 4.792 5.828 ( -1.593 -4.563 -4.040) 6.299 6.352 ( 2.120 3.500 8.501) 9.435 6.428 ( 4.239 1.364 3.575) 5.711 7.024 ( -0.190 10.032 -3.028) 10.480 7.311 ( 5.794 0.651 -4.735) 7.511 7.507 ( -1.556 -2.810 2.284) 3.942 7.664 ( 0.127 -9.572 0.522) 9.587 7.887 ( 4.359 6.947 0.942) 8.255 7.977 ( 1.308 3.804 -0.576) 4.064 9.118 ( 2.175 5.433 -6.294) 8.595 9.194 ( -3.436 1.609 -4.337) 5.762 9.470 ( 8.640 4.343 8.777) 13.059 9.701 ( 6.353 2.307 2.347) 7.155 9.761 ( -0.994 10.985 -3.050) 11.443 10.226 ( -7.490 -3.398 3.447) 8.918 10.561 ( -5.154 -0.579 -4.926) 7.153 10.918 ( -0.196 5.946 6.172) 8.572 10.993 ( -9.416 -10.377 -0.365) 14.017 11.366 ( -4.741 -10.486 4.044) 12.198 12.315 ( 6.817 6.169 -3.411) 9.806 12.482 ( 11.402 2.909 -5.295) 12.904 12.629 ( 6.898 -2.049 6.289) 9.557 12.688 ( 5.565 -3.434 3.408) 7.374 14.297 ( -9.065 9.810 -1.972) 13.502 14.600 ( -3.856 -0.482 -2.531) 4.638 14.873 ( 5.344 6.756 -9.760) 13.017 14.970 ( -5.334 6.574 -7.498) 11.308 15.212 ( -6.694 -6.443 -1.139) 9.360 15.337 ( -1.580 0.791 2.399) 2.980 15.594 ( -10.394 -7.064 1.001) 12.607 15.845 ( 3.012 -6.063 10.593) 12.571 20.382 ( -3.779 6.810 -2.293) 8.119 20.640 ( -4.389 -2.897 -0.652) 5.299 22.078 ( 4.336 0.442 4.830) 6.505 22.236 ( 2.640 -5.365 7.189) 9.351 ======================= Grid point 319 (152/160) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.499 3.299 -10.301) 10.828 2.045 ( -3.894 5.371 -1.953) 6.916 2.073 ( -5.109 1.073 -9.302) 10.667 2.249 ( -5.120 0.830 -1.593) 5.426 2.341 ( -0.449 -1.222 4.969) 5.136 2.533 ( 3.834 -5.586 6.404) 9.323 2.637 ( -2.021 -2.010 4.167) 5.049 2.692 ( 2.831 0.072 6.264) 6.875 2.941 ( -1.126 -9.477 10.404) 14.118 3.014 ( 5.788 -8.260 -7.044) 12.302 3.345 ( -2.220 1.489 4.768) 5.466 3.499 ( -0.295 -7.073 6.228) 9.429 3.632 ( -13.006 4.763 -12.385) 18.581 3.772 ( -16.463 9.045 -5.696) 19.629 3.816 ( -7.910 -4.507 -16.794) 19.102 4.237 ( -15.866 -7.243 -6.696) 18.682 4.280 ( 0.180 18.386 -6.937) 19.651 4.716 ( 4.079 8.982 -1.566) 9.988 4.847 ( -3.904 -0.295 3.494) 5.247 5.091 ( -3.833 -3.525 9.497) 10.831 5.251 ( 5.926 -5.410 -9.794) 12.661 5.342 ( -0.278 -7.710 -11.731) 14.041 5.393 ( -2.586 4.229 2.625) 5.609 5.657 ( 4.453 -6.487 -0.343) 7.876 5.778 ( 1.966 2.808 4.217) 5.434 5.901 ( 4.106 -2.084 5.258) 6.989 6.349 ( -1.777 6.782 -4.824) 8.510 6.541 ( 2.154 -0.404 -0.343) 2.218 6.953 ( -2.925 9.841 -1.908) 10.442 7.317 ( 0.127 -0.125 -3.840) 3.844 7.479 ( -3.231 -1.939 2.153) 4.339 7.702 ( 2.772 -7.210 0.481) 7.739 7.919 ( -1.910 7.558 2.253) 8.115 8.022 ( 4.550 5.019 -1.939) 7.046 9.047 ( 0.219 2.013 -6.024) 6.355 9.106 ( -1.093 -1.224 -3.949) 4.276 9.708 ( 5.868 8.138 -0.932) 10.076 9.780 ( 4.869 4.742 6.218) 9.212 9.875 ( 8.964 -3.912 3.529) 10.398 10.173 ( -1.869 4.041 2.733) 5.225 10.432 ( -5.497 -0.970 -1.080) 5.685 10.763 ( -10.831 4.532 1.463) 11.832 11.035 ( 1.437 -4.505 2.440) 5.321 11.297 ( -5.789 -8.310 0.065) 10.128 12.386 ( 4.344 4.899 -1.144) 6.647 12.608 ( 7.503 0.466 -4.046) 8.537 12.777 ( 2.767 -2.982 5.999) 7.248 12.838 ( 8.361 -1.781 1.333) 8.652 14.167 ( -4.455 4.887 0.594) 6.639 14.457 ( -11.417 -4.623 1.626) 12.424 14.770 ( -5.685 0.850 -4.623) 7.376 14.952 ( 8.899 2.403 -5.465) 10.716 15.087 ( 2.592 -4.010 -8.107) 9.409 15.150 ( -17.812 -14.329 -0.276) 22.862 15.633 ( 7.542 11.027 3.130) 13.721 15.988 ( 0.650 -3.923 6.842) 7.914 20.283 ( -4.564 0.137 -1.983) 4.978 20.510 ( -8.334 -8.635 -1.825) 12.138 22.222 ( 5.037 2.375 4.991) 7.478 22.354 ( 1.167 -3.063 6.673) 7.435 ======================= Grid point 320 (153/160) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 4.734 0.338 -13.820) 14.613 1.884 ( -7.757 -3.341 -2.312) 8.757 1.973 ( -1.504 1.898 -0.738) 2.531 2.113 ( -5.428 -2.959 -4.119) 7.429 2.450 ( 4.134 2.999 6.195) 8.029 2.607 ( -1.252 -4.012 1.559) 4.483 2.682 ( 0.666 -2.161 1.080) 2.506 2.789 ( 3.489 5.650 3.911) 7.707 2.891 ( 2.555 -7.425 -10.652) 13.234 3.122 ( -2.965 -0.666 3.501) 4.636 3.156 ( -12.843 3.407 -2.702) 13.559 3.193 ( -13.989 1.730 -5.492) 15.128 3.467 ( -4.349 -2.007 -1.448) 5.004 3.640 ( 1.062 -5.150 4.202) 6.731 3.757 ( 1.336 -8.750 -3.980) 9.705 3.880 ( -15.116 -16.880 -2.788) 22.830 4.297 ( 8.919 7.317 -0.195) 11.538 4.789 ( -1.152 1.757 1.882) 2.820 4.885 ( 0.584 -1.217 5.614) 5.774 5.001 ( -3.393 -6.203 -9.419) 11.777 5.167 ( -0.693 4.493 1.174) 4.695 5.295 ( -1.877 6.218 -4.266) 7.771 5.439 ( 6.736 -3.287 0.038) 7.495 5.685 ( -1.473 -6.980 -0.759) 7.174 5.910 ( 4.779 5.492 5.667) 9.226 6.044 ( 3.100 1.026 5.251) 6.184 6.255 ( 0.387 7.269 -4.958) 8.808 6.480 ( -3.589 -1.821 -5.907) 7.148 6.910 ( -0.132 2.691 0.383) 2.722 7.179 ( -7.929 -7.445 -5.575) 12.222 7.541 ( 2.845 5.408 7.169) 9.420 7.735 ( 2.111 -1.429 -3.415) 4.261 7.929 ( -0.850 6.109 4.126) 7.421 8.035 ( 0.724 3.391 -3.463) 4.901 8.997 ( -0.302 -1.758 -1.787) 2.524 9.052 ( -0.447 -4.764 -3.500) 5.928 9.772 ( 4.866 12.341 -0.556) 13.278 9.875 ( 0.840 3.455 -0.114) 3.558 10.077 ( 7.526 -4.926 3.282) 9.574 10.211 ( 1.009 -2.971 1.097) 3.324 10.380 ( 0.579 7.667 2.434) 8.065 10.624 ( -8.912 5.339 2.438) 10.671 11.068 ( 1.859 -3.284 -0.596) 3.820 11.190 ( -5.629 -5.531 -0.528) 7.909 12.441 ( 2.930 0.888 0.468) 3.097 12.604 ( -1.939 -3.512 -3.235) 5.154 12.907 ( 4.824 -0.282 3.582) 6.015 12.967 ( 4.556 -1.627 0.520) 4.866 14.161 ( 1.651 -0.694 1.608) 2.407 14.316 ( -5.908 -8.790 0.759) 10.618 14.613 ( -6.702 -3.243 -1.026) 7.516 14.809 ( -16.580 -13.542 -0.321) 21.410 15.077 ( 8.497 3.274 -3.177) 9.644 15.123 ( 6.685 0.793 -4.809) 8.273 15.806 ( 8.373 8.827 1.744) 12.290 16.021 ( -3.471 -0.493 2.877) 4.536 20.201 ( -2.262 -6.167 -0.655) 6.601 20.337 ( -7.936 -11.259 -2.392) 13.981 22.352 ( 4.129 2.101 3.003) 5.521 22.425 ( -0.630 -1.043 4.129) 4.305 ======================= Grid point 321 (154/160) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 7.569 -4.738 -7.424) 11.612 1.777 ( -7.569 -4.738 7.424) 11.612 1.995 ( -2.470 -2.365 -2.935) 4.506 1.995 ( 2.470 -2.365 2.935) 4.506 2.572 ( -0.993 -0.265 -4.435) 4.553 2.572 ( 0.993 -0.265 4.435) 4.553 2.723 ( -4.614 3.449 -5.948) 8.280 2.723 ( 4.614 3.449 5.948) 8.280 2.950 ( -9.672 -0.282 -2.794) 10.072 2.950 ( 9.672 -0.282 2.794) 10.072 3.079 ( 0.537 3.302 -4.946) 5.971 3.079 ( -0.537 3.302 4.946) 5.971 3.547 ( -9.907 -13.296 -3.553) 16.958 3.547 ( 9.907 -13.296 3.553) 16.958 3.742 ( -3.440 -6.086 -4.560) 8.347 3.742 ( 3.440 -6.086 4.560) 8.347 4.563 ( -16.598 -9.184 -3.408) 19.273 4.563 ( 16.598 -9.184 3.408) 19.273 4.962 ( 1.788 5.708 -2.040) 6.320 4.962 ( -1.788 5.708 2.040) 6.320 5.198 ( -1.024 6.635 -4.873) 8.296 5.198 ( 1.024 6.635 4.873) 8.296 5.584 ( -4.062 -6.712 -4.410) 8.999 5.584 ( 4.062 -6.712 4.410) 8.999 6.042 ( -2.763 7.066 -3.800) 8.485 6.042 ( 2.763 7.066 3.800) 8.485 6.324 ( -4.842 0.721 -6.019) 7.759 6.324 ( 4.842 0.721 6.019) 7.759 6.988 ( -5.190 -5.335 -4.377) 8.635 6.988 ( 5.190 -5.335 4.377) 8.635 7.676 ( -1.179 4.246 -7.349) 8.569 7.676 ( 1.179 4.246 7.349) 8.569 7.983 ( 0.068 3.527 -5.214) 6.295 7.983 ( -0.068 3.527 5.214) 6.295 9.004 ( 0.055 -4.466 -2.283) 5.016 9.004 ( -0.055 -4.466 2.283) 5.016 9.846 ( -1.912 8.831 -1.237) 9.120 9.846 ( 1.912 8.831 1.237) 9.120 10.189 ( -3.235 -5.229 -0.702) 6.188 10.189 ( 3.235 -5.229 0.702) 6.188 10.493 ( -7.567 7.542 -0.927) 10.724 10.493 ( 7.567 7.542 0.927) 10.724 11.107 ( 0.642 -3.595 -2.412) 4.377 11.107 ( -0.642 -3.595 2.412) 4.377 12.513 ( -3.743 -2.925 -2.094) 5.191 12.513 ( 3.743 -2.925 2.094) 5.191 12.993 ( -0.667 -0.601 -1.655) 1.882 12.993 ( 0.667 -0.601 1.655) 1.882 14.235 ( -2.626 -7.435 -1.863) 8.102 14.235 ( 2.626 -7.435 1.863) 8.102 14.596 ( -6.603 -7.061 0.014) 9.668 14.596 ( 6.603 -7.061 -0.014) 9.668 15.147 ( -0.695 2.644 -0.797) 2.847 15.147 ( 0.695 2.644 0.797) 2.847 15.948 ( -6.444 4.121 -0.013) 7.649 15.948 ( 6.444 4.121 0.013) 7.649 20.212 ( -3.284 -10.412 -1.376) 11.004 20.212 ( 3.284 -10.412 1.376) 11.004 22.426 ( -2.457 0.729 0.411) 2.596 22.426 ( 2.457 0.729 -0.411) 2.596 ======================= Grid point 327 (155/160) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 -0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 2.238 ( -0.000 -0.000 -0.000) 0.000 2.238 ( -0.000 -0.000 0.000) 0.000 2.355 ( 0.000 0.000 -0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.714 ( -0.000 -0.000 -0.000) 0.000 2.714 ( 0.000 0.000 -0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 3.377 ( -0.000 0.000 -0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 4.287 ( -0.000 0.000 0.000) 0.000 4.287 ( -0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 -0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 4.983 ( -0.000 0.000 0.000) 0.000 5.194 ( -0.000 -0.000 0.000) 0.000 5.194 ( 0.000 -0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.196 ( -0.000 0.000 -0.000) 0.000 5.539 ( -0.000 -0.000 -0.000) 0.000 5.539 ( -0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 -0.000) 0.000 5.952 ( 0.000 0.000 -0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 7.552 ( -0.000 0.000 0.000) 0.000 7.552 ( -0.000 0.000 0.000) 0.000 7.873 ( -0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.104 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 9.680 ( -0.000 0.000 0.000) 0.000 10.284 ( -0.000 -0.000 -0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.524 ( -0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 11.282 ( -0.000 0.000 -0.000) 0.000 11.282 ( -0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 -0.000) 0.000 12.298 ( 0.000 0.000 -0.000) 0.000 12.426 ( -0.000 0.000 0.000) 0.000 12.426 ( -0.000 0.000 0.000) 0.000 14.857 ( -0.000 0.000 -0.000) 0.000 14.857 ( -0.000 0.000 0.000) 0.000 14.972 ( -0.000 0.000 0.000) 0.000 14.972 ( 0.000 0.000 0.000) 0.000 15.499 ( -0.000 -0.000 0.000) 0.000 15.499 ( -0.000 0.000 0.000) 0.000 15.541 ( 0.000 -0.000 -0.000) 0.000 15.541 ( 0.000 0.000 0.000) 0.000 20.722 ( 0.000 0.000 0.000) 0.000 20.722 ( -0.000 0.000 0.000) 0.000 21.907 ( -0.000 0.000 0.000) 0.000 21.907 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 331 (156/160) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 6.110 -5.859 11.873) 14.582 1.922 ( 6.110 5.859 11.873) 14.582 2.224 ( 1.765 -4.160 -5.333) 6.990 2.224 ( 1.765 4.160 -5.333) 6.990 2.372 ( -3.273 -7.909 7.280) 11.237 2.372 ( -3.273 7.909 7.280) 11.237 2.644 ( -4.555 -8.337 -1.826) 9.674 2.644 ( -4.555 8.337 -1.826) 9.674 2.846 ( 2.524 -6.332 -0.308) 6.824 2.846 ( 2.524 6.332 -0.308) 6.824 3.271 ( -4.030 -4.255 -5.151) 7.802 3.271 ( -4.030 4.255 -5.151) 7.802 4.280 ( -1.110 -6.500 -1.921) 6.868 4.280 ( -1.110 6.500 -1.921) 6.868 4.737 ( -10.090 -3.336 0.476) 10.638 4.737 ( -10.090 3.336 0.476) 10.638 4.913 ( -9.787 -6.158 -4.009) 12.238 4.913 ( -9.787 6.158 -4.009) 12.238 5.120 ( -0.887 -3.896 -4.626) 6.113 5.120 ( -0.887 3.896 -4.626) 6.113 5.284 ( 2.930 -7.826 1.783) 8.545 5.284 ( 2.930 7.826 1.783) 8.545 5.485 ( 2.544 -8.053 -11.049) 13.907 5.485 ( 2.544 8.053 -11.049) 13.907 5.873 ( -7.307 -6.241 -1.934) 9.802 5.873 ( -7.307 6.241 -1.934) 9.802 6.208 ( 4.304 -4.983 12.460) 14.092 6.208 ( 4.304 4.983 12.460) 14.092 7.143 ( 9.012 -5.963 -2.761) 11.153 7.143 ( 9.012 5.963 -2.761) 11.153 7.528 ( -2.583 -3.608 0.751) 4.500 7.528 ( -2.583 3.608 0.751) 4.500 7.916 ( 3.685 -2.878 0.652) 4.721 7.916 ( 3.685 2.878 0.652) 4.721 9.150 ( 3.392 -1.089 1.756) 3.972 9.150 ( 3.392 1.089 1.756) 3.972 9.642 ( 0.379 -6.216 -6.527) 9.021 9.642 ( 0.379 6.216 -6.527) 9.021 10.143 ( -8.572 -11.386 -0.633) 14.266 10.143 ( -8.572 11.386 -0.633) 14.266 10.661 ( 5.893 -2.999 3.185) 7.339 10.661 ( 5.893 2.999 3.185) 7.339 11.211 ( -8.322 -5.112 2.931) 10.197 11.211 ( -8.322 5.112 2.931) 10.197 12.351 ( 6.933 -3.680 -2.321) 8.186 12.351 ( 6.933 3.680 -2.321) 8.186 12.483 ( 4.572 -2.890 2.687) 6.040 12.483 ( 4.572 2.890 2.687) 6.040 14.689 ( -3.610 -5.757 -10.826) 12.782 14.689 ( -3.610 5.757 -10.826) 12.782 15.082 ( -1.318 -9.351 4.182) 10.328 15.082 ( -1.318 9.351 4.182) 10.328 15.393 ( -6.499 -1.708 -2.494) 7.168 15.393 ( -6.499 1.708 -2.494) 7.168 15.559 ( -2.205 -2.037 5.900) 6.620 15.559 ( -2.205 2.037 5.900) 6.620 20.669 ( -4.944 -5.305 -1.298) 7.367 20.669 ( -4.944 5.305 -1.298) 7.367 21.976 ( 4.411 -3.541 4.248) 7.074 21.976 ( 4.411 3.541 4.248) 7.074 ======================= Grid point 333 (157/160) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -5.254 -3.711 -0.096) 6.434 2.116 ( -5.254 3.711 -0.096) 6.434 2.208 ( 7.024 -5.751 5.289) 10.507 2.208 ( 7.024 5.751 5.289) 10.507 2.419 ( -1.116 -5.403 1.818) 5.809 2.419 ( -1.116 5.403 1.818) 5.809 2.530 ( -4.811 -7.609 2.524) 9.349 2.530 ( -4.811 7.609 2.524) 9.349 2.841 ( 0.764 -5.883 -1.773) 6.191 2.841 ( 0.764 5.883 -1.773) 6.191 3.261 ( 3.652 -4.069 3.130) 6.300 3.261 ( 3.652 4.069 3.130) 6.300 4.128 ( -8.949 -6.305 -11.048) 15.553 4.128 ( -8.949 6.305 -11.048) 15.553 4.464 ( -19.254 -9.809 -7.085) 22.740 4.464 ( -19.254 9.809 -7.085) 22.740 4.745 ( -7.384 -11.436 4.194) 14.244 4.745 ( -7.384 11.436 4.194) 14.244 5.014 ( -6.437 -10.246 -1.781) 12.231 5.014 ( -6.437 10.246 -1.781) 12.231 5.261 ( 3.935 -10.286 -11.922) 16.230 5.261 ( 3.935 10.286 -11.922) 16.230 5.460 ( 4.112 -5.300 -1.621) 6.901 5.460 ( 4.112 5.300 -1.621) 6.901 5.781 ( -1.657 -1.038 1.280) 2.337 5.781 ( -1.657 1.038 1.280) 2.337 6.419 ( 4.177 -2.187 6.798) 8.272 6.419 ( 4.177 2.187 6.798) 8.272 7.231 ( 3.916 -8.652 -3.478) 10.114 7.231 ( 3.916 8.652 -3.478) 10.114 7.509 ( -0.221 -4.334 0.875) 4.427 7.509 ( -0.221 4.334 0.875) 4.427 7.991 ( 3.901 -2.477 0.418) 4.640 7.991 ( 3.901 2.477 0.418) 4.640 9.185 ( -0.551 -1.724 -3.810) 4.218 9.185 ( -0.551 1.724 -3.810) 4.218 9.615 ( 5.078 -7.365 -0.741) 8.976 9.615 ( 5.078 7.365 -0.741) 8.976 10.049 ( -2.993 -13.112 0.811) 13.474 10.049 ( -2.993 13.112 0.811) 13.474 10.700 ( -3.820 -12.560 1.000) 13.166 10.700 ( -3.820 12.560 1.000) 13.166 11.139 ( -4.590 -10.822 4.100) 12.450 11.139 ( -4.590 10.822 4.100) 12.450 12.454 ( 7.202 -5.895 -1.754) 9.471 12.454 ( 7.202 5.895 -1.754) 9.471 12.624 ( 7.168 -2.440 2.937) 8.122 12.624 ( 7.168 2.440 2.938) 8.122 14.504 ( -8.691 -8.434 -3.419) 12.584 14.504 ( -8.691 8.434 -3.419) 12.584 15.013 ( 0.275 -8.074 -6.854) 10.595 15.013 ( 0.275 8.074 -6.854) 10.595 15.185 ( -14.573 -11.995 -2.585) 19.051 15.185 ( -14.573 11.995 -2.585) 19.051 15.682 ( 4.579 -9.060 8.634) 13.327 15.682 ( 4.579 9.060 8.634) 13.327 20.534 ( -8.347 -6.825 -1.938) 10.955 20.534 ( -8.347 6.825 -1.938) 10.955 22.129 ( 5.258 -4.256 6.270) 9.224 22.129 ( 5.258 4.256 6.270) 9.224 ======================= Grid point 335 (158/160) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -4.257 -3.597 -6.637) 8.666 1.967 ( -4.257 3.597 -6.637) 8.666 2.237 ( -6.516 -4.207 -8.267) 11.336 2.237 ( -6.516 4.207 -8.267) 11.336 2.406 ( 2.708 -5.900 8.102) 10.382 2.406 ( 2.708 5.900 8.102) 10.382 2.644 ( 4.153 -4.771 5.849) 8.615 2.644 ( 4.153 4.771 5.849) 8.615 2.869 ( 2.664 -4.876 1.622) 5.788 2.869 ( 2.664 4.876 1.622) 5.788 3.385 ( 1.714 -3.522 5.837) 7.029 3.385 ( 1.714 3.522 5.837) 7.029 3.736 ( -14.846 -4.150 -14.965) 21.484 3.736 ( -14.846 4.150 -14.965) 21.484 4.002 ( -22.367 -12.478 -6.811) 26.502 4.002 ( -22.367 12.478 -6.811) 26.502 4.663 ( -9.279 -16.225 4.250) 19.168 4.663 ( -9.279 16.225 4.250) 19.168 4.921 ( 1.418 -9.654 -4.263) 10.648 4.921 ( 1.418 9.654 -4.263) 10.648 5.242 ( 7.008 -3.965 -7.500) 11.004 5.242 ( 7.008 3.965 -7.500) 11.004 5.515 ( 1.192 -6.447 1.222) 6.669 5.515 ( 1.192 6.447 1.222) 6.669 5.846 ( 4.194 -3.179 5.406) 7.544 5.846 ( 4.194 3.179 5.406) 7.544 6.478 ( 0.184 -5.093 -2.911) 5.869 6.478 ( 0.184 5.093 -2.911) 5.869 7.173 ( -5.110 -10.527 -3.792) 12.301 7.173 ( -5.110 10.527 -3.792) 12.301 7.553 ( 2.973 -6.678 2.703) 7.793 7.553 ( 2.973 6.678 2.703) 7.793 8.045 ( 2.062 -3.200 -0.664) 3.864 8.045 ( 2.062 3.200 -0.664) 3.864 9.076 ( -3.031 -1.249 -5.583) 6.474 9.076 ( -3.031 1.249 -5.583) 6.474 9.780 ( 9.354 -3.666 3.139) 10.525 9.780 ( 9.354 3.666 3.139) 10.525 10.034 ( -0.343 -12.506 1.032) 12.553 10.034 ( -0.343 12.506 1.032) 12.553 10.627 ( -5.213 -13.182 2.196) 14.345 10.627 ( -5.213 13.182 2.196) 14.345 11.115 ( -2.524 -8.535 1.068) 8.964 11.115 ( -2.524 8.535 1.068) 8.964 12.523 ( 1.755 -7.116 -0.737) 7.366 12.523 ( 1.755 7.116 -0.737) 7.366 12.786 ( 7.963 -2.728 2.019) 8.656 12.786 ( 7.963 2.728 2.019) 8.656 14.316 ( -10.602 -8.150 1.284) 13.434 14.316 ( -10.602 8.150 1.284) 13.434 14.868 ( -17.371 -8.900 -0.160) 19.519 14.868 ( -17.371 8.900 -0.160) 19.519 15.025 ( 10.645 -2.384 -9.458) 14.438 15.025 ( 10.645 2.384 -9.458) 14.438 15.853 ( 4.368 -8.915 5.756) 11.476 15.853 ( 4.368 8.915 5.756) 11.476 20.348 ( -9.760 -5.966 -2.344) 11.677 20.348 ( -9.760 5.966 -2.344) 11.677 22.285 ( 3.897 -3.363 5.940) 7.860 22.285 ( 3.897 3.363 5.940) 7.860 ======================= Grid point 337 (159/160) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -3.462 -1.839 -7.989) 8.899 1.815 ( -3.462 1.839 -7.989) 8.899 2.039 ( -5.560 -3.668 -4.757) 8.185 2.039 ( -5.560 3.668 -4.757) 8.185 2.540 ( 2.373 -3.186 4.915) 6.320 2.540 ( 2.373 3.186 4.915) 6.320 2.713 ( 5.011 -6.657 -4.823) 9.627 2.713 ( 5.011 6.657 -4.823) 9.627 2.974 ( 3.744 -9.869 4.207) 11.363 2.974 ( 3.744 9.869 4.207) 11.363 3.215 ( -16.107 -0.999 -3.167) 16.446 3.215 ( -16.107 0.999 -3.167) 16.446 3.572 ( -12.614 -10.678 -1.422) 16.588 3.572 ( -12.614 10.678 -1.422) 16.588 3.619 ( 0.507 -3.007 -1.600) 3.444 3.619 ( 0.507 3.007 -1.600) 3.444 4.535 ( -8.883 -14.454 1.797) 17.060 4.535 ( -8.883 14.454 1.797) 17.060 4.964 ( 7.309 -3.214 -3.207) 8.604 4.964 ( 7.309 3.214 -3.207) 8.604 5.291 ( 4.881 -5.816 -1.833) 7.811 5.291 ( 4.881 5.816 -1.833) 7.811 5.505 ( -3.056 -8.982 -0.537) 9.503 5.505 ( -3.056 8.982 -0.537) 9.503 6.016 ( 4.950 -3.659 7.580) 9.764 6.016 ( 4.950 3.659 7.580) 9.764 6.396 ( -1.312 -5.822 -6.873) 9.103 6.396 ( -1.312 5.822 -6.873) 9.103 7.013 ( -6.792 -7.104 -3.188) 10.332 7.013 ( -6.792 7.104 -3.188) 10.332 7.658 ( 3.671 -5.116 3.641) 7.274 7.658 ( 3.671 5.116 3.641) 7.274 8.046 ( -0.064 -3.187 -1.260) 3.427 8.046 ( -0.064 3.187 -1.260) 3.427 8.982 ( -1.793 -1.374 -3.128) 3.858 8.982 ( -1.793 1.374 -3.128) 3.858 9.936 ( 5.854 -2.144 -0.265) 6.240 9.936 ( 5.854 2.144 -0.265) 6.240 10.062 ( 0.699 -7.380 2.714) 7.895 10.062 ( 0.699 7.380 2.714) 7.895 10.592 ( -2.201 -8.335 2.318) 8.927 10.592 ( -2.201 8.335 2.318) 8.927 11.079 ( -1.691 -4.302 -0.495) 4.649 11.079 ( -1.691 4.302 -0.495) 4.649 12.504 ( -1.878 -4.843 -0.785) 5.253 12.504 ( -1.878 4.843 -0.785) 5.253 12.927 ( 5.434 -1.897 1.418) 5.928 12.927 ( 5.434 1.897 1.418) 5.928 14.193 ( -5.606 -3.496 1.247) 6.723 14.193 ( -5.606 3.496 1.247) 6.723 14.618 ( -10.158 -4.411 -0.304) 11.079 14.618 ( -10.158 4.411 -0.304) 11.079 15.124 ( 8.643 -1.039 -4.220) 9.674 15.124 ( 8.643 1.039 -4.220) 9.674 15.959 ( 2.187 -5.384 2.554) 6.347 15.959 ( 2.187 5.384 2.554) 6.347 20.170 ( -7.027 -3.624 -1.834) 8.116 20.170 ( -7.027 3.624 -1.834) 8.116 22.394 ( 1.974 -1.836 3.602) 4.499 22.394 ( 1.974 1.836 3.602) 4.499 ======================= Grid point 339 (160/160) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.000 0.000 -0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 -0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 -0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.776 ( -0.000 0.000 -0.000) 0.000 2.776 ( 0.000 0.000 -0.000) 0.000 2.940 ( -0.000 0.000 -0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.146 ( -0.000 -0.000 -0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 -0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.683 ( -0.000 0.000 -0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 4.456 ( -0.000 -0.000 -0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 -0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.352 ( -0.000 -0.000 0.000) 0.000 5.352 ( 0.000 0.000 -0.000) 0.000 5.437 ( 0.000 -0.000 -0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 -0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 -0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 -0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 -0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 -0.000) 0.000 8.034 ( 0.000 0.000 -0.000) 0.000 8.946 ( 0.000 0.000 -0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 -0.000 -0.000) 0.000 9.980 ( 0.000 0.000 -0.000) 0.000 10.091 ( 0.000 0.000 -0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 -0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 -0.000) 0.000 11.059 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 -0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 -0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 14.150 ( 0.000 0.000 -0.000) 0.000 14.150 ( 0.000 0.000 -0.000) 0.000 14.530 ( 0.000 0.000 -0.000) 0.000 14.530 ( 0.000 0.000 -0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 -0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 20.094 ( 0.000 0.000 0.000) 0.000 20.094 ( 0.000 0.000 0.000) 0.000 22.433 ( 0.000 0.000 -0.000) 0.000 22.433 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28800 10.0 458.233 498.734 1233.590 0.000 -112.305 0.000 3/28800 20.0 83.024 98.399 124.478 0.000 -0.791 0.000 3/28800 30.0 33.755 37.582 46.406 0.000 0.865 0.000 3/28800 40.0 19.182 20.730 25.488 0.000 0.721 0.000 3/28800 50.0 13.065 13.844 16.908 0.000 0.548 0.000 3/28800 60.0 9.874 10.332 12.501 0.000 0.431 0.000 3/28800 70.0 7.947 8.249 9.884 0.000 0.353 0.000 3/28800 80.0 6.664 6.879 8.171 0.000 0.298 0.000 3/28800 90.0 5.749 5.911 6.969 0.000 0.259 0.000 3/28800 100.0 5.065 5.190 6.081 0.000 0.228 0.000 3/28800 110.0 4.534 4.632 5.399 0.000 0.205 0.000 3/28800 120.0 4.110 4.187 4.859 0.000 0.186 0.000 3/28800 130.0 3.763 3.824 4.421 0.000 0.170 0.000 3/28800 140.0 3.474 3.522 4.058 0.000 0.157 0.000 3/28800 150.0 3.229 3.266 3.753 0.000 0.145 0.000 3/28800 160.0 3.019 3.047 3.492 0.000 0.136 0.000 3/28800 170.0 2.836 2.857 3.266 0.000 0.127 0.000 3/28800 180.0 2.676 2.690 3.069 0.000 0.120 0.000 3/28800 190.0 2.533 2.542 2.895 0.000 0.113 0.000 3/28800 200.0 2.406 2.411 2.740 0.000 0.107 0.000 3/28800 210.0 2.292 2.293 2.602 0.000 0.102 0.000 3/28800 220.0 2.189 2.186 2.477 0.000 0.097 0.000 3/28800 230.0 2.094 2.089 2.364 0.000 0.093 0.000 3/28800 240.0 2.008 2.001 2.262 0.000 0.089 0.000 3/28800 250.0 1.929 1.920 2.168 0.000 0.085 0.000 3/28800 260.0 1.856 1.845 2.081 0.000 0.082 0.000 3/28800 270.0 1.789 1.776 2.002 0.000 0.079 0.000 3/28800 280.0 1.726 1.712 1.928 0.000 0.076 0.000 3/28800 290.0 1.668 1.653 1.860 0.000 0.073 0.000 3/28800 300.0 1.613 1.598 1.797 0.000 0.071 0.000 3/28800 310.0 1.562 1.546 1.737 0.000 0.068 0.000 3/28800 320.0 1.514 1.498 1.682 0.000 0.066 0.000 3/28800 330.0 1.470 1.453 1.630 0.000 0.064 0.000 3/28800 340.0 1.427 1.410 1.581 0.000 0.062 0.000 3/28800 350.0 1.387 1.370 1.535 0.000 0.060 0.000 3/28800 360.0 1.349 1.332 1.492 0.000 0.059 0.000 3/28800 370.0 1.314 1.296 1.451 0.000 0.057 0.000 3/28800 380.0 1.280 1.262 1.413 0.000 0.056 0.000 3/28800 390.0 1.248 1.230 1.376 0.000 0.054 0.000 3/28800 400.0 1.217 1.199 1.341 0.000 0.053 0.000 3/28800 410.0 1.188 1.170 1.308 0.000 0.051 0.000 3/28800 420.0 1.160 1.142 1.277 0.000 0.050 0.000 3/28800 430.0 1.134 1.116 1.247 0.000 0.049 0.000 3/28800 440.0 1.108 1.090 1.218 0.000 0.048 0.000 3/28800 450.0 1.084 1.066 1.191 0.000 0.047 0.000 3/28800 460.0 1.061 1.043 1.165 0.000 0.046 0.000 3/28800 470.0 1.039 1.021 1.140 0.000 0.045 0.000 3/28800 480.0 1.017 1.000 1.116 0.000 0.044 0.000 3/28800 490.0 0.997 0.980 1.093 0.000 0.043 0.000 3/28800 500.0 0.977 0.960 1.071 0.000 0.042 0.000 3/28800 510.0 0.958 0.941 1.050 0.000 0.041 0.000 3/28800 520.0 0.940 0.923 1.030 0.000 0.040 0.000 3/28800 530.0 0.923 0.906 1.010 0.000 0.040 0.000 3/28800 540.0 0.906 0.889 0.991 0.000 0.039 0.000 3/28800 550.0 0.890 0.873 0.973 0.000 0.038 0.000 3/28800 560.0 0.874 0.858 0.956 0.000 0.038 0.000 3/28800 570.0 0.859 0.843 0.939 0.000 0.037 0.000 3/28800 580.0 0.844 0.828 0.923 0.000 0.036 0.000 3/28800 590.0 0.830 0.814 0.907 0.000 0.036 0.000 3/28800 600.0 0.816 0.801 0.892 0.000 0.035 0.000 3/28800 610.0 0.803 0.788 0.877 0.000 0.034 0.000 3/28800 620.0 0.790 0.775 0.863 0.000 0.034 0.000 3/28800 630.0 0.778 0.763 0.849 0.000 0.033 0.000 3/28800 640.0 0.766 0.751 0.836 0.000 0.033 0.000 3/28800 650.0 0.754 0.739 0.823 0.000 0.032 0.000 3/28800 660.0 0.743 0.728 0.811 0.000 0.032 0.000 3/28800 670.0 0.732 0.717 0.799 0.000 0.031 0.000 3/28800 680.0 0.721 0.707 0.787 0.000 0.031 0.000 3/28800 690.0 0.711 0.697 0.775 0.000 0.030 0.000 3/28800 700.0 0.701 0.687 0.764 0.000 0.030 0.000 3/28800 710.0 0.691 0.677 0.754 0.000 0.030 0.000 3/28800 720.0 0.682 0.668 0.743 0.000 0.029 0.000 3/28800 730.0 0.672 0.659 0.733 0.000 0.029 0.000 3/28800 740.0 0.663 0.650 0.723 0.000 0.028 0.000 3/28800 750.0 0.655 0.641 0.713 0.000 0.028 0.000 3/28800 760.0 0.646 0.633 0.704 0.000 0.028 0.000 3/28800 770.0 0.638 0.625 0.695 0.000 0.027 0.000 3/28800 780.0 0.630 0.617 0.686 0.000 0.027 0.000 3/28800 790.0 0.622 0.609 0.677 0.000 0.027 0.000 3/28800 800.0 0.614 0.601 0.669 0.000 0.026 0.000 3/28800 810.0 0.606 0.594 0.660 0.000 0.026 0.000 3/28800 820.0 0.599 0.587 0.652 0.000 0.026 0.000 3/28800 830.0 0.592 0.580 0.644 0.000 0.025 0.000 3/28800 840.0 0.585 0.573 0.637 0.000 0.025 0.000 3/28800 850.0 0.578 0.566 0.629 0.000 0.025 0.000 3/28800 860.0 0.571 0.559 0.622 0.000 0.024 0.000 3/28800 870.0 0.565 0.553 0.615 0.000 0.024 0.000 3/28800 880.0 0.558 0.547 0.608 0.000 0.024 0.000 3/28800 890.0 0.552 0.541 0.601 0.000 0.024 0.000 3/28800 900.0 0.546 0.535 0.594 0.000 0.023 0.000 3/28800 910.0 0.540 0.529 0.588 0.000 0.023 0.000 3/28800 920.0 0.534 0.523 0.581 0.000 0.023 0.000 3/28800 930.0 0.529 0.517 0.575 0.000 0.023 0.000 3/28800 940.0 0.523 0.512 0.569 0.000 0.022 0.000 3/28800 950.0 0.518 0.507 0.563 0.000 0.022 0.000 3/28800 960.0 0.512 0.501 0.557 0.000 0.022 0.000 3/28800 970.0 0.507 0.496 0.551 0.000 0.022 0.000 3/28800 980.0 0.502 0.491 0.546 0.000 0.021 0.000 3/28800 990.0 0.497 0.486 0.540 0.000 0.021 0.000 3/28800 1000.0 0.492 0.481 0.535 0.000 0.021 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1086.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:59:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|