----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:17:34]------------------------- 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: Pmc2_1 (26) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.159679000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.417003250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.149903660000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.52066882446800 0.70457540983542 22.990 2 Na 0.00000000000000 0.47933117553200 0.20457540983542 22.990 *3 La 0.50000000000000 0.13431917880004 0.50152925986331 138.905 4 La 0.50000000000000 0.86568082119996 0.00152925986331 138.905 *5 C 0.00000000000000 0.03217300073266 0.17185636041348 12.011 *6 C 0.50000000000000 0.41449282482399 0.91950507722054 12.011 7 C 0.00000000000000 0.96782699926734 0.67185636041348 12.011 8 C 0.50000000000000 0.58550717517601 0.41950507722054 12.011 *9 O 0.00000000000000 0.85507991782646 0.08621704512431 15.999 10 O 0.00000000000000 0.14492008217354 0.58621704512431 15.999 *11 O 0.28662715496503 0.48973769327752 0.45679842986377 15.999 *12 O 0.21967308859045 0.87928525678628 0.70905119538629 15.999 13 O 0.21967308859045 0.12071474321372 0.20905119538629 15.999 14 O 0.71337284503497 0.48973769327752 0.45679842986377 15.999 *15 O 0.50000000000000 0.23184750859596 0.84061759704281 15.999 16 O 0.71337284503497 0.51026230672248 0.95679842986377 15.999 17 O 0.78032691140955 0.87928525678628 0.70905119538629 15.999 18 O 0.78032691140955 0.12071474321372 0.20905119538629 15.999 19 O 0.50000000000000 0.76815249140404 0.34061759704281 15.999 20 O 0.28662715496503 0.51026230672248 0.95679842986377 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.159679000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.417003250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.149903660000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.52066882446800 0.70457540983542 22.990 > 1 2 Na 0.00000000000000 0.47933117553200 0.20457540983542 22.990 > 2 *3 La 0.50000000000000 0.13431917880004 0.50152925986331 138.905 > 3 4 La 0.50000000000000 0.86568082119996 0.00152925986331 138.905 > 4 *5 C 0.00000000000000 0.03217300073266 0.17185636041348 12.011 > 5 *6 C 0.50000000000000 0.41449282482399 0.91950507722054 12.011 > 6 7 C 0.00000000000000 0.96782699926734 0.67185636041348 12.011 > 7 8 C 0.50000000000000 0.58550717517601 0.41950507722054 12.011 > 8 *9 O 0.00000000000000 0.85507991782646 0.08621704512431 15.999 > 9 10 O 0.00000000000000 0.14492008217354 0.58621704512431 15.999 > 10 *11 O 0.28662715496503 0.48973769327752 0.45679842986377 15.999 > 11 *12 O 0.21967308859045 0.87928525678628 0.70905119538629 15.999 > 12 13 O 0.21967308859045 0.12071474321372 0.20905119538629 15.999 > 13 14 O 0.71337284503497 0.48973769327752 0.45679842986377 15.999 > 14 *15 O 0.50000000000000 0.23184750859596 0.84061759704281 15.999 > 15 16 O 0.71337284503497 0.51026230672248 0.95679842986377 15.999 > 16 17 O 0.78032691140955 0.87928525678628 0.70905119538629 15.999 > 17 18 O 0.78032691140955 0.12071474321372 0.20905119538629 15.999 > 18 19 O 0.50000000000000 0.76815249140404 0.34061759704281 15.999 > 19 20 O 0.28662715496503 0.51026230672248 0.95679842986377 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.319357999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.834006499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.149903660000000 Atomic positions (fractional): *1 Na 0.00000000000000 0.26033441223400 0.70457540983542 22.990 > 1 2 Na 0.50000000000000 0.26033441223400 0.70457540983542 22.990 > 1 3 Na 0.00000000000000 0.76033441223400 0.70457540983542 22.990 > 1 4 Na 0.50000000000000 0.76033441223400 0.70457540983542 22.990 > 1 5 Na 0.00000000000000 0.23966558776600 0.20457540983542 22.990 > 2 6 Na 0.50000000000000 0.23966558776600 0.20457540983542 22.990 > 2 7 Na 0.00000000000000 0.73966558776600 0.20457540983542 22.990 > 2 8 Na 0.50000000000000 0.73966558776600 0.20457540983542 22.990 > 2 *9 La 0.25000000000000 0.06715958940002 0.50152925986331 138.905 > 3 10 La 0.75000000000000 0.06715958940002 0.50152925986331 138.905 > 3 11 La 0.25000000000000 0.56715958940002 0.50152925986331 138.905 > 3 12 La 0.75000000000000 0.56715958940002 0.50152925986331 138.905 > 3 13 La 0.25000000000000 0.43284041059998 0.00152925986331 138.905 > 4 14 La 0.75000000000000 0.43284041059998 0.00152925986331 138.905 > 4 15 La 0.25000000000000 0.93284041059998 0.00152925986331 138.905 > 4 16 La 0.75000000000000 0.93284041059998 0.00152925986331 138.905 > 4 *17 C 0.00000000000000 0.01608650036633 0.17185636041348 12.011 > 5 18 C 0.50000000000000 0.01608650036633 0.17185636041348 12.011 > 5 19 C 0.00000000000000 0.51608650036633 0.17185636041348 12.011 > 5 20 C 0.50000000000000 0.51608650036633 0.17185636041348 12.011 > 5 *21 C 0.25000000000000 0.20724641241200 0.91950507722054 12.011 > 6 22 C 0.75000000000000 0.20724641241200 0.91950507722054 12.011 > 6 23 C 0.25000000000000 0.70724641241200 0.91950507722054 12.011 > 6 24 C 0.75000000000000 0.70724641241200 0.91950507722054 12.011 > 6 25 C 0.00000000000000 0.48391349963367 0.67185636041348 12.011 > 7 26 C 0.50000000000000 0.48391349963367 0.67185636041348 12.011 > 7 27 C 0.00000000000000 0.98391349963367 0.67185636041348 12.011 > 7 28 C 0.50000000000000 0.98391349963367 0.67185636041348 12.011 > 7 29 C 0.25000000000000 0.29275358758800 0.41950507722054 12.011 > 8 30 C 0.75000000000000 0.29275358758800 0.41950507722054 12.011 > 8 31 C 0.25000000000000 0.79275358758800 0.41950507722054 12.011 > 8 32 C 0.75000000000000 0.79275358758800 0.41950507722054 12.011 > 8 *33 O 0.00000000000000 0.42753995891323 0.08621704512431 15.999 > 9 34 O 0.50000000000000 0.42753995891323 0.08621704512431 15.999 > 9 35 O 0.00000000000000 0.92753995891323 0.08621704512431 15.999 > 9 36 O 0.50000000000000 0.92753995891323 0.08621704512431 15.999 > 9 37 O 0.00000000000000 0.07246004108677 0.58621704512431 15.999 > 10 38 O 0.50000000000000 0.07246004108677 0.58621704512431 15.999 > 10 39 O 0.00000000000000 0.57246004108677 0.58621704512431 15.999 > 10 40 O 0.50000000000000 0.57246004108677 0.58621704512431 15.999 > 10 *41 O 0.14331357748251 0.24486884663876 0.45679842986377 15.999 > 11 42 O 0.64331357748251 0.24486884663876 0.45679842986377 15.999 > 11 43 O 0.14331357748251 0.74486884663876 0.45679842986377 15.999 > 11 44 O 0.64331357748251 0.74486884663876 0.45679842986377 15.999 > 11 *45 O 0.10983654429522 0.43964262839314 0.70905119538629 15.999 > 12 46 O 0.60983654429522 0.43964262839314 0.70905119538629 15.999 > 12 47 O 0.10983654429522 0.93964262839314 0.70905119538629 15.999 > 12 48 O 0.60983654429522 0.93964262839314 0.70905119538629 15.999 > 12 49 O 0.10983654429522 0.06035737160686 0.20905119538629 15.999 > 13 50 O 0.60983654429522 0.06035737160686 0.20905119538629 15.999 > 13 51 O 0.10983654429522 0.56035737160686 0.20905119538629 15.999 > 13 52 O 0.60983654429522 0.56035737160686 0.20905119538629 15.999 > 13 53 O 0.35668642251749 0.24486884663876 0.45679842986377 15.999 > 14 54 O 0.85668642251749 0.24486884663876 0.45679842986377 15.999 > 14 55 O 0.35668642251749 0.74486884663876 0.45679842986377 15.999 > 14 56 O 0.85668642251749 0.74486884663876 0.45679842986377 15.999 > 14 *57 O 0.25000000000000 0.11592375429798 0.84061759704281 15.999 > 15 58 O 0.75000000000000 0.11592375429798 0.84061759704281 15.999 > 15 59 O 0.25000000000000 0.61592375429798 0.84061759704281 15.999 > 15 60 O 0.75000000000000 0.61592375429798 0.84061759704281 15.999 > 15 61 O 0.35668642251749 0.25513115336124 0.95679842986377 15.999 > 16 62 O 0.85668642251749 0.25513115336124 0.95679842986377 15.999 > 16 63 O 0.35668642251749 0.75513115336124 0.95679842986377 15.999 > 16 64 O 0.85668642251749 0.75513115336124 0.95679842986377 15.999 > 16 65 O 0.39016345570478 0.43964262839314 0.70905119538629 15.999 > 17 66 O 0.89016345570478 0.43964262839314 0.70905119538629 15.999 > 17 67 O 0.39016345570478 0.93964262839314 0.70905119538629 15.999 > 17 68 O 0.89016345570478 0.93964262839314 0.70905119538629 15.999 > 17 69 O 0.39016345570478 0.06035737160686 0.20905119538629 15.999 > 18 70 O 0.89016345570478 0.06035737160686 0.20905119538629 15.999 > 18 71 O 0.39016345570478 0.56035737160686 0.20905119538629 15.999 > 18 72 O 0.89016345570478 0.56035737160686 0.20905119538629 15.999 > 18 73 O 0.25000000000000 0.38407624570202 0.34061759704281 15.999 > 19 74 O 0.75000000000000 0.38407624570202 0.34061759704281 15.999 > 19 75 O 0.25000000000000 0.88407624570202 0.34061759704281 15.999 > 19 76 O 0.75000000000000 0.88407624570202 0.34061759704281 15.999 > 19 77 O 0.14331357748251 0.25513115336124 0.95679842986377 15.999 > 20 78 O 0.64331357748251 0.25513115336124 0.95679842986377 15.999 > 20 79 O 0.14331357748251 0.75513115336124 0.95679842986377 15.999 > 20 80 O 0.64331357748251 0.75513115336124 0.95679842986377 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3093090 0.0000000 0.0000000 0.0000000 3.2181108 0.0000000 0.0000000 0.0000000 2.7990287 -------------------------- Born effective charges -------------------------- 1 Na 1.1979288 -0.0000000 -0.0000000 0.0000000 1.1721555 0.0744361 0.0000000 0.0076761 1.0474056 2 Na 1.1979288 -0.0000000 -0.0000000 0.0000000 1.1721555 -0.0744361 0.0000000 -0.0076761 1.0474056 3 La 4.2351883 -0.0000000 -0.0000000 0.0000000 4.1230766 0.5906118 0.0000000 -0.1528502 4.2135146 4 La 4.2351883 -0.0000000 -0.0000000 0.0000000 4.1230766 -0.5906118 0.0000000 0.1528502 4.2135146 5 C 3.7815986 -0.0000000 -0.0000000 0.0000000 1.8847069 0.8357771 0.0000000 1.3071625 0.8505885 6 C 2.3091194 -0.0000000 -0.0000000 0.0000000 3.3709393 1.4541891 0.0000000 1.3712449 0.8772179 7 C 3.7815986 -0.0000000 -0.0000000 0.0000000 1.8847069 -0.8357771 0.0000000 -1.3071625 0.8505885 8 C 2.3091194 -0.0000000 -0.0000000 0.0000000 3.3709393 -1.4541891 0.0000000 -1.3712449 0.8772179 9 O -2.0025242 -0.0000000 -0.0000000 0.0000000 -1.5232767 -0.4434053 0.0000000 -0.7415857 -1.0194396 10 O -2.0025242 -0.0000000 -0.0000000 0.0000000 -1.5232767 0.4434053 0.0000000 0.7415857 -1.0194396 11 O -1.6716847 -0.2838572 0.1785103 -0.3667328 -1.8661135 0.3529444 0.2126376 0.4113699 -0.8017160 12 O -2.6756474 0.4901178 -0.4619640 0.3599272 -1.1559502 0.3846334 -0.4501568 0.4555308 -1.3034116 13 O -2.6756474 -0.4901178 -0.4619640 -0.3599272 -1.1559502 -0.3846334 -0.4501568 -0.4555308 -1.3034116 14 O -1.6716847 0.2838572 -0.1785103 0.3667328 -1.8661135 0.3529444 -0.2126376 0.4113699 -0.8017160 15 O -0.8266467 -0.0000000 -0.0000000 0.0000000 -2.9834741 -0.8892798 0.0000000 -0.7349993 -1.7590318 16 O -1.6716847 -0.2838572 -0.1785103 -0.3667328 -1.8661135 -0.3529444 -0.2126376 -0.4113699 -0.8017160 17 O -2.6756474 -0.4901178 0.4619640 -0.3599272 -1.1559502 0.3846334 0.4501568 0.4555308 -1.3034116 18 O -2.6756474 0.4901178 0.4619640 0.3599272 -1.1559502 -0.3846334 0.4501568 -0.4555308 -1.3034116 19 O -0.8266467 -0.0000000 -0.0000000 0.0000000 -2.9834741 0.8892798 0.0000000 0.7349993 -1.7590318 20 O -1.6716847 0.2838572 0.1785103 0.3667328 -1.8661135 -0.3529444 0.2126376 -0.4113699 -0.8017160 ---------------------------------------------------------------------------- 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: 1956 Number of blocks in projector: 1956 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (1956, 1908), data: False |-- (276, 268), data: True |-- (276, 268), data: True |-- (276, 268), data: True |-- (328, 324), data: True |-- (328, 324), data: True |-- (472, 456), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.268 Solver_block: 200 / 640 - Time: 2.270 Solver_block: 300 / 640 - Time: 2.263 Solver_block: 400 / 640 - Time: 2.266 Solver_block: 500 / 640 - Time: 2.264 Solver_block: 600 / 640 - Time: 2.267 Solver_block: 640 / 640 - Time: 0.976 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.628 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1956 Number of blocks in projector: 1956 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: 472 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (1956, 1908), data: False |-- (276, 268), data: True |-- (276, 268), data: True |-- (276, 268), data: True |-- (328, 324), data: True |-- (328, 324), data: True |-- (472, 456), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:18:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:18:08]------------------------- 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: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.159679000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.417003250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.149903660000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.52066882446800 0.70457540983542 22.990 2 Na 0.00000000000000 0.47933117553200 0.20457540983542 22.990 3 La 0.50000000000000 0.13431917880004 0.50152925986331 138.905 4 La 0.50000000000000 0.86568082119996 0.00152925986331 138.905 5 C 0.00000000000000 0.03217300073266 0.17185636041348 12.011 6 C 0.50000000000000 0.41449282482399 0.91950507722054 12.011 7 C 0.00000000000000 0.96782699926734 0.67185636041348 12.011 8 C 0.50000000000000 0.58550717517601 0.41950507722054 12.011 9 O 0.00000000000000 0.85507991782646 0.08621704512431 15.999 10 O 0.00000000000000 0.14492008217354 0.58621704512431 15.999 11 O 0.28662715496503 0.48973769327752 0.45679842986377 15.999 12 O 0.21967308859045 0.87928525678628 0.70905119538629 15.999 13 O 0.21967308859045 0.12071474321372 0.20905119538629 15.999 14 O 0.71337284503497 0.48973769327752 0.45679842986377 15.999 15 O 0.50000000000000 0.23184750859596 0.84061759704281 15.999 16 O 0.71337284503497 0.51026230672248 0.95679842986377 15.999 17 O 0.78032691140955 0.87928525678628 0.70905119538629 15.999 18 O 0.78032691140955 0.12071474321372 0.20905119538629 15.999 19 O 0.50000000000000 0.76815249140404 0.34061759704281 15.999 20 O 0.28662715496503 0.51026230672248 0.95679842986377 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.319357999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.834006499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.149903660000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.26033441223400 0.70457540983542 22.990 > 1 2 Na 0.50000000000000 0.26033441223400 0.70457540983542 22.990 > 1 3 Na 0.00000000000000 0.76033441223400 0.70457540983542 22.990 > 1 4 Na 0.50000000000000 0.76033441223400 0.70457540983542 22.990 > 1 5 Na 0.00000000000000 0.23966558776600 0.20457540983542 22.990 > 5 6 Na 0.50000000000000 0.23966558776600 0.20457540983542 22.990 > 5 7 Na 0.00000000000000 0.73966558776600 0.20457540983542 22.990 > 5 8 Na 0.50000000000000 0.73966558776600 0.20457540983542 22.990 > 5 9 La 0.25000000000000 0.06715958940002 0.50152925986331 138.905 > 9 10 La 0.75000000000000 0.06715958940002 0.50152925986331 138.905 > 9 11 La 0.25000000000000 0.56715958940002 0.50152925986331 138.905 > 9 12 La 0.75000000000000 0.56715958940002 0.50152925986331 138.905 > 9 13 La 0.25000000000000 0.43284041059998 0.00152925986331 138.905 > 13 14 La 0.75000000000000 0.43284041059998 0.00152925986331 138.905 > 13 15 La 0.25000000000000 0.93284041059998 0.00152925986331 138.905 > 13 16 La 0.75000000000000 0.93284041059998 0.00152925986331 138.905 > 13 17 C 0.00000000000000 0.01608650036633 0.17185636041348 12.011 > 17 18 C 0.50000000000000 0.01608650036633 0.17185636041348 12.011 > 17 19 C 0.00000000000000 0.51608650036633 0.17185636041348 12.011 > 17 20 C 0.50000000000000 0.51608650036633 0.17185636041348 12.011 > 17 21 C 0.25000000000000 0.20724641241200 0.91950507722054 12.011 > 21 22 C 0.75000000000000 0.20724641241200 0.91950507722054 12.011 > 21 23 C 0.25000000000000 0.70724641241200 0.91950507722054 12.011 > 21 24 C 0.75000000000000 0.70724641241200 0.91950507722054 12.011 > 21 25 C 0.00000000000000 0.48391349963367 0.67185636041348 12.011 > 25 26 C 0.50000000000000 0.48391349963367 0.67185636041348 12.011 > 25 27 C 0.00000000000000 0.98391349963367 0.67185636041348 12.011 > 25 28 C 0.50000000000000 0.98391349963367 0.67185636041348 12.011 > 25 29 C 0.25000000000000 0.29275358758800 0.41950507722054 12.011 > 29 30 C 0.75000000000000 0.29275358758800 0.41950507722054 12.011 > 29 31 C 0.25000000000000 0.79275358758800 0.41950507722054 12.011 > 29 32 C 0.75000000000000 0.79275358758800 0.41950507722054 12.011 > 29 33 O 0.00000000000000 0.42753995891323 0.08621704512431 15.999 > 33 34 O 0.50000000000000 0.42753995891323 0.08621704512431 15.999 > 33 35 O 0.00000000000000 0.92753995891323 0.08621704512431 15.999 > 33 36 O 0.50000000000000 0.92753995891323 0.08621704512431 15.999 > 33 37 O 0.00000000000000 0.07246004108677 0.58621704512431 15.999 > 37 38 O 0.50000000000000 0.07246004108677 0.58621704512431 15.999 > 37 39 O 0.00000000000000 0.57246004108677 0.58621704512431 15.999 > 37 40 O 0.50000000000000 0.57246004108677 0.58621704512431 15.999 > 37 41 O 0.14331357748251 0.24486884663876 0.45679842986377 15.999 > 41 42 O 0.64331357748251 0.24486884663876 0.45679842986377 15.999 > 41 43 O 0.14331357748251 0.74486884663876 0.45679842986377 15.999 > 41 44 O 0.64331357748251 0.74486884663876 0.45679842986377 15.999 > 41 45 O 0.10983654429522 0.43964262839314 0.70905119538629 15.999 > 45 46 O 0.60983654429522 0.43964262839314 0.70905119538629 15.999 > 45 47 O 0.10983654429522 0.93964262839314 0.70905119538629 15.999 > 45 48 O 0.60983654429522 0.93964262839314 0.70905119538629 15.999 > 45 49 O 0.10983654429522 0.06035737160686 0.20905119538629 15.999 > 49 50 O 0.60983654429522 0.06035737160686 0.20905119538629 15.999 > 49 51 O 0.10983654429522 0.56035737160686 0.20905119538629 15.999 > 49 52 O 0.60983654429522 0.56035737160686 0.20905119538629 15.999 > 49 53 O 0.35668642251749 0.24486884663876 0.45679842986377 15.999 > 53 54 O 0.85668642251749 0.24486884663876 0.45679842986377 15.999 > 53 55 O 0.35668642251749 0.74486884663876 0.45679842986377 15.999 > 53 56 O 0.85668642251749 0.74486884663876 0.45679842986377 15.999 > 53 57 O 0.25000000000000 0.11592375429798 0.84061759704281 15.999 > 57 58 O 0.75000000000000 0.11592375429798 0.84061759704281 15.999 > 57 59 O 0.25000000000000 0.61592375429798 0.84061759704281 15.999 > 57 60 O 0.75000000000000 0.61592375429798 0.84061759704281 15.999 > 57 61 O 0.35668642251749 0.25513115336124 0.95679842986377 15.999 > 61 62 O 0.85668642251749 0.25513115336124 0.95679842986377 15.999 > 61 63 O 0.35668642251749 0.75513115336124 0.95679842986377 15.999 > 61 64 O 0.85668642251749 0.75513115336124 0.95679842986377 15.999 > 61 65 O 0.39016345570478 0.43964262839314 0.70905119538629 15.999 > 65 66 O 0.89016345570478 0.43964262839314 0.70905119538629 15.999 > 65 67 O 0.39016345570478 0.93964262839314 0.70905119538629 15.999 > 65 68 O 0.89016345570478 0.93964262839314 0.70905119538629 15.999 > 65 69 O 0.39016345570478 0.06035737160686 0.20905119538629 15.999 > 69 70 O 0.89016345570478 0.06035737160686 0.20905119538629 15.999 > 69 71 O 0.39016345570478 0.56035737160686 0.20905119538629 15.999 > 69 72 O 0.89016345570478 0.56035737160686 0.20905119538629 15.999 > 69 73 O 0.25000000000000 0.38407624570202 0.34061759704281 15.999 > 73 74 O 0.75000000000000 0.38407624570202 0.34061759704281 15.999 > 73 75 O 0.25000000000000 0.88407624570202 0.34061759704281 15.999 > 73 76 O 0.75000000000000 0.88407624570202 0.34061759704281 15.999 > 73 77 O 0.14331357748251 0.25513115336124 0.95679842986377 15.999 > 77 78 O 0.64331357748251 0.25513115336124 0.95679842986377 15.999 > 77 79 O 0.14331357748251 0.75513115336124 0.95679842986377 15.999 > 77 80 O 0.64331357748251 0.75513115336124 0.95679842986377 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3093090 0.0000000 0.0000000 0.0000000 3.2181108 0.0000000 0.0000000 0.0000000 2.7990287 -------------------------- Born effective charges -------------------------- 1 Na 1.1979288 -0.0000000 -0.0000000 0.0000000 1.1721555 0.0744361 0.0000000 0.0076761 1.0474056 2 Na 1.1979288 -0.0000000 -0.0000000 0.0000000 1.1721555 -0.0744361 0.0000000 -0.0076761 1.0474056 3 La 4.2351883 -0.0000000 -0.0000000 0.0000000 4.1230766 0.5906118 0.0000000 -0.1528502 4.2135146 4 La 4.2351883 -0.0000000 -0.0000000 0.0000000 4.1230766 -0.5906118 0.0000000 0.1528502 4.2135146 5 C 3.7815986 -0.0000000 -0.0000000 0.0000000 1.8847069 0.8357771 0.0000000 1.3071625 0.8505885 6 C 2.3091194 -0.0000000 -0.0000000 0.0000000 3.3709393 1.4541891 0.0000000 1.3712449 0.8772179 7 C 3.7815986 -0.0000000 -0.0000000 0.0000000 1.8847069 -0.8357771 0.0000000 -1.3071625 0.8505885 8 C 2.3091194 -0.0000000 -0.0000000 0.0000000 3.3709393 -1.4541891 0.0000000 -1.3712449 0.8772179 9 O -2.0025242 -0.0000000 -0.0000000 0.0000000 -1.5232767 -0.4434053 0.0000000 -0.7415857 -1.0194396 10 O -2.0025242 -0.0000000 -0.0000000 0.0000000 -1.5232767 0.4434053 0.0000000 0.7415857 -1.0194396 11 O -1.6716847 -0.2838572 0.1785103 -0.3667328 -1.8661135 0.3529444 0.2126376 0.4113699 -0.8017160 12 O -2.6756474 0.4901178 -0.4619640 0.3599272 -1.1559502 0.3846334 -0.4501568 0.4555308 -1.3034116 13 O -2.6756474 -0.4901178 -0.4619640 -0.3599272 -1.1559502 -0.3846334 -0.4501568 -0.4555308 -1.3034116 14 O -1.6716847 0.2838572 -0.1785103 0.3667328 -1.8661135 0.3529444 -0.2126376 0.4113699 -0.8017160 15 O -0.8266467 -0.0000000 -0.0000000 0.0000000 -2.9834741 -0.8892798 0.0000000 -0.7349993 -1.7590318 16 O -1.6716847 -0.2838572 -0.1785103 -0.3667328 -1.8661135 -0.3529444 -0.2126376 -0.4113699 -0.8017160 17 O -2.6756474 -0.4901178 0.4619640 -0.3599272 -1.1559502 0.3846334 0.4501568 0.4555308 -1.3034116 18 O -2.6756474 0.4901178 0.4619640 0.3599272 -1.1559502 -0.3846334 0.4501568 -0.4555308 -1.3034116 19 O -0.8266467 -0.0000000 -0.0000000 0.0000000 -2.9834741 0.8892798 0.0000000 0.7349993 -1.7590318 20 O -1.6716847 0.2838572 0.1785103 0.3667328 -1.8661135 -0.3529444 0.2126376 -0.4113699 -0.8017160 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000028 (zzz) -0.00000028 (zzz) -0.00000028 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000009 (zy) -0.00000009 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:18:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:18:25]------------------------- 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: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.159679000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.417003250000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.149903660000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.52066882446800 0.70457540983542 22.990 2 Na 0.00000000000000 0.47933117553200 0.20457540983542 22.990 3 La 0.50000000000000 0.13431917880004 0.50152925986331 138.905 4 La 0.50000000000000 0.86568082119996 0.00152925986331 138.905 5 C 0.00000000000000 0.03217300073266 0.17185636041348 12.011 6 C 0.50000000000000 0.41449282482399 0.91950507722054 12.011 7 C 0.00000000000000 0.96782699926734 0.67185636041348 12.011 8 C 0.50000000000000 0.58550717517601 0.41950507722054 12.011 9 O 0.00000000000000 0.85507991782646 0.08621704512431 15.999 10 O 0.00000000000000 0.14492008217354 0.58621704512431 15.999 11 O 0.28662715496503 0.48973769327752 0.45679842986377 15.999 12 O 0.21967308859045 0.87928525678628 0.70905119538629 15.999 13 O 0.21967308859045 0.12071474321372 0.20905119538629 15.999 14 O 0.71337284503497 0.48973769327752 0.45679842986377 15.999 15 O 0.50000000000000 0.23184750859596 0.84061759704281 15.999 16 O 0.71337284503497 0.51026230672248 0.95679842986377 15.999 17 O 0.78032691140955 0.87928525678628 0.70905119538629 15.999 18 O 0.78032691140955 0.12071474321372 0.20905119538629 15.999 19 O 0.50000000000000 0.76815249140404 0.34061759704281 15.999 20 O 0.28662715496503 0.51026230672248 0.95679842986377 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.319357999999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.834006499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.149903660000000 Atomic positions (fractional): 1 Na 0.00000000000000 0.26033441223400 0.70457540983542 22.990 > 1 2 Na 0.50000000000000 0.26033441223400 0.70457540983542 22.990 > 1 3 Na 0.00000000000000 0.76033441223400 0.70457540983542 22.990 > 1 4 Na 0.50000000000000 0.76033441223400 0.70457540983542 22.990 > 1 5 Na 0.00000000000000 0.23966558776600 0.20457540983542 22.990 > 5 6 Na 0.50000000000000 0.23966558776600 0.20457540983542 22.990 > 5 7 Na 0.00000000000000 0.73966558776600 0.20457540983542 22.990 > 5 8 Na 0.50000000000000 0.73966558776600 0.20457540983542 22.990 > 5 9 La 0.25000000000000 0.06715958940002 0.50152925986331 138.905 > 9 10 La 0.75000000000000 0.06715958940002 0.50152925986331 138.905 > 9 11 La 0.25000000000000 0.56715958940002 0.50152925986331 138.905 > 9 12 La 0.75000000000000 0.56715958940002 0.50152925986331 138.905 > 9 13 La 0.25000000000000 0.43284041059998 0.00152925986331 138.905 > 13 14 La 0.75000000000000 0.43284041059998 0.00152925986331 138.905 > 13 15 La 0.25000000000000 0.93284041059998 0.00152925986331 138.905 > 13 16 La 0.75000000000000 0.93284041059998 0.00152925986331 138.905 > 13 17 C 0.00000000000000 0.01608650036633 0.17185636041348 12.011 > 17 18 C 0.50000000000000 0.01608650036633 0.17185636041348 12.011 > 17 19 C 0.00000000000000 0.51608650036633 0.17185636041348 12.011 > 17 20 C 0.50000000000000 0.51608650036633 0.17185636041348 12.011 > 17 21 C 0.25000000000000 0.20724641241200 0.91950507722054 12.011 > 21 22 C 0.75000000000000 0.20724641241200 0.91950507722054 12.011 > 21 23 C 0.25000000000000 0.70724641241200 0.91950507722054 12.011 > 21 24 C 0.75000000000000 0.70724641241200 0.91950507722054 12.011 > 21 25 C 0.00000000000000 0.48391349963367 0.67185636041348 12.011 > 25 26 C 0.50000000000000 0.48391349963367 0.67185636041348 12.011 > 25 27 C 0.00000000000000 0.98391349963367 0.67185636041348 12.011 > 25 28 C 0.50000000000000 0.98391349963367 0.67185636041348 12.011 > 25 29 C 0.25000000000000 0.29275358758800 0.41950507722054 12.011 > 29 30 C 0.75000000000000 0.29275358758800 0.41950507722054 12.011 > 29 31 C 0.25000000000000 0.79275358758800 0.41950507722054 12.011 > 29 32 C 0.75000000000000 0.79275358758800 0.41950507722054 12.011 > 29 33 O 0.00000000000000 0.42753995891323 0.08621704512431 15.999 > 33 34 O 0.50000000000000 0.42753995891323 0.08621704512431 15.999 > 33 35 O 0.00000000000000 0.92753995891323 0.08621704512431 15.999 > 33 36 O 0.50000000000000 0.92753995891323 0.08621704512431 15.999 > 33 37 O 0.00000000000000 0.07246004108677 0.58621704512431 15.999 > 37 38 O 0.50000000000000 0.07246004108677 0.58621704512431 15.999 > 37 39 O 0.00000000000000 0.57246004108677 0.58621704512431 15.999 > 37 40 O 0.50000000000000 0.57246004108677 0.58621704512431 15.999 > 37 41 O 0.14331357748251 0.24486884663876 0.45679842986377 15.999 > 41 42 O 0.64331357748251 0.24486884663876 0.45679842986377 15.999 > 41 43 O 0.14331357748251 0.74486884663876 0.45679842986377 15.999 > 41 44 O 0.64331357748251 0.74486884663876 0.45679842986377 15.999 > 41 45 O 0.10983654429522 0.43964262839314 0.70905119538629 15.999 > 45 46 O 0.60983654429522 0.43964262839314 0.70905119538629 15.999 > 45 47 O 0.10983654429522 0.93964262839314 0.70905119538629 15.999 > 45 48 O 0.60983654429522 0.93964262839314 0.70905119538629 15.999 > 45 49 O 0.10983654429522 0.06035737160686 0.20905119538629 15.999 > 49 50 O 0.60983654429522 0.06035737160686 0.20905119538629 15.999 > 49 51 O 0.10983654429522 0.56035737160686 0.20905119538629 15.999 > 49 52 O 0.60983654429522 0.56035737160686 0.20905119538629 15.999 > 49 53 O 0.35668642251749 0.24486884663876 0.45679842986377 15.999 > 53 54 O 0.85668642251749 0.24486884663876 0.45679842986377 15.999 > 53 55 O 0.35668642251749 0.74486884663876 0.45679842986377 15.999 > 53 56 O 0.85668642251749 0.74486884663876 0.45679842986377 15.999 > 53 57 O 0.25000000000000 0.11592375429798 0.84061759704281 15.999 > 57 58 O 0.75000000000000 0.11592375429798 0.84061759704281 15.999 > 57 59 O 0.25000000000000 0.61592375429798 0.84061759704281 15.999 > 57 60 O 0.75000000000000 0.61592375429798 0.84061759704281 15.999 > 57 61 O 0.35668642251749 0.25513115336124 0.95679842986377 15.999 > 61 62 O 0.85668642251749 0.25513115336124 0.95679842986377 15.999 > 61 63 O 0.35668642251749 0.75513115336124 0.95679842986377 15.999 > 61 64 O 0.85668642251749 0.75513115336124 0.95679842986377 15.999 > 61 65 O 0.39016345570478 0.43964262839314 0.70905119538629 15.999 > 65 66 O 0.89016345570478 0.43964262839314 0.70905119538629 15.999 > 65 67 O 0.39016345570478 0.93964262839314 0.70905119538629 15.999 > 65 68 O 0.89016345570478 0.93964262839314 0.70905119538629 15.999 > 65 69 O 0.39016345570478 0.06035737160686 0.20905119538629 15.999 > 69 70 O 0.89016345570478 0.06035737160686 0.20905119538629 15.999 > 69 71 O 0.39016345570478 0.56035737160686 0.20905119538629 15.999 > 69 72 O 0.89016345570478 0.56035737160686 0.20905119538629 15.999 > 69 73 O 0.25000000000000 0.38407624570202 0.34061759704281 15.999 > 73 74 O 0.75000000000000 0.38407624570202 0.34061759704281 15.999 > 73 75 O 0.25000000000000 0.88407624570202 0.34061759704281 15.999 > 73 76 O 0.75000000000000 0.88407624570202 0.34061759704281 15.999 > 73 77 O 0.14331357748251 0.25513115336124 0.95679842986377 15.999 > 77 78 O 0.64331357748251 0.25513115336124 0.95679842986377 15.999 > 77 79 O 0.14331357748251 0.75513115336124 0.95679842986377 15.999 > 77 80 O 0.64331357748251 0.75513115336124 0.95679842986377 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3093090 0.0000000 0.0000000 0.0000000 3.2181108 0.0000000 0.0000000 0.0000000 2.7990287 -------------------------- Born effective charges -------------------------- 1 Na 1.1979288 -0.0000000 -0.0000000 0.0000000 1.1721555 0.0744361 0.0000000 0.0076761 1.0474056 2 Na 1.1979288 -0.0000000 -0.0000000 0.0000000 1.1721555 -0.0744361 0.0000000 -0.0076761 1.0474056 3 La 4.2351883 -0.0000000 -0.0000000 0.0000000 4.1230766 0.5906118 0.0000000 -0.1528502 4.2135146 4 La 4.2351883 -0.0000000 -0.0000000 0.0000000 4.1230766 -0.5906118 0.0000000 0.1528502 4.2135146 5 C 3.7815986 -0.0000000 -0.0000000 0.0000000 1.8847069 0.8357771 0.0000000 1.3071625 0.8505885 6 C 2.3091194 -0.0000000 -0.0000000 0.0000000 3.3709393 1.4541891 0.0000000 1.3712449 0.8772179 7 C 3.7815986 -0.0000000 -0.0000000 0.0000000 1.8847069 -0.8357771 0.0000000 -1.3071625 0.8505885 8 C 2.3091194 -0.0000000 -0.0000000 0.0000000 3.3709393 -1.4541891 0.0000000 -1.3712449 0.8772179 9 O -2.0025242 -0.0000000 -0.0000000 0.0000000 -1.5232767 -0.4434053 0.0000000 -0.7415857 -1.0194396 10 O -2.0025242 -0.0000000 -0.0000000 0.0000000 -1.5232767 0.4434053 0.0000000 0.7415857 -1.0194396 11 O -1.6716847 -0.2838572 0.1785103 -0.3667328 -1.8661135 0.3529444 0.2126376 0.4113699 -0.8017160 12 O -2.6756474 0.4901178 -0.4619640 0.3599272 -1.1559502 0.3846334 -0.4501568 0.4555308 -1.3034116 13 O -2.6756474 -0.4901178 -0.4619640 -0.3599272 -1.1559502 -0.3846334 -0.4501568 -0.4555308 -1.3034116 14 O -1.6716847 0.2838572 -0.1785103 0.3667328 -1.8661135 0.3529444 -0.2126376 0.4113699 -0.8017160 15 O -0.8266467 -0.0000000 -0.0000000 0.0000000 -2.9834741 -0.8892798 0.0000000 -0.7349993 -1.7590318 16 O -1.6716847 -0.2838572 -0.1785103 -0.3667328 -1.8661135 -0.3529444 -0.2126376 -0.4113699 -0.8017160 17 O -2.6756474 -0.4901178 0.4619640 -0.3599272 -1.1559502 0.3846334 0.4501568 0.4555308 -1.3034116 18 O -2.6756474 0.4901178 0.4619640 0.3599272 -1.1559502 -0.3846334 0.4501568 -0.4555308 -1.3034116 19 O -0.8266467 -0.0000000 -0.0000000 0.0000000 -2.9834741 0.8892798 0.0000000 0.7349993 -1.7590318 20 O -1.6716847 0.2838572 0.1785103 0.3667328 -1.8661135 -0.3529444 0.2126376 -0.4113699 -0.8017160 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000028 (zzz) -0.00000028 (zzz) -0.00000028 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 7 ] 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: 0.67, Number of G-points: 319, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.800 ( 0.000 0.000 0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 18.931 ( 0.000 0.000 0.000) 0.000 18.959 ( 0.000 0.000 0.000) 0.000 19.572 ( 0.000 0.000 0.000) 0.000 19.724 ( 0.000 0.000 0.000) 0.000 20.683 ( 0.000 0.000 0.000) 0.000 20.770 ( 0.000 0.000 0.000) 0.000 21.471 ( 0.000 0.000 0.000) 0.000 21.478 ( 0.000 0.000 0.000) 0.000 24.303 ( 0.000 0.000 0.000) 0.000 24.660 ( 0.000 0.000 0.000) 0.000 24.837 ( 0.000 0.000 0.000) 0.000 25.093 ( 0.000 0.000 0.000) 0.000 32.041 ( 0.000 0.000 0.000) 0.000 32.080 ( 0.000 0.000 0.000) 0.000 32.357 ( 0.000 0.000 0.000) 0.000 32.366 ( 0.000 0.000 0.000) 0.000 42.464 ( 0.000 0.000 0.000) 0.000 42.527 ( 0.000 0.000 0.000) 0.000 42.915 ( 0.000 0.000 0.000) 0.000 42.920 ( 0.000 0.000 0.000) 0.000 43.069 ( 0.000 0.000 0.000) 0.000 43.335 ( 0.000 0.000 0.000) 0.000 44.191 ( 0.000 0.000 0.000) 0.000 44.782 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 26.405 0.000 0.000) 26.405 0.514 ( 26.871 0.000 0.000) 26.871 1.235 ( 60.126 0.000 0.000) 60.126 2.908 ( 1.455 0.000 0.000) 1.455 3.023 ( -3.679 0.000 0.000) 3.679 3.219 ( -1.934 0.000 0.000) 1.934 3.320 ( -7.539 0.000 0.000) 7.539 3.472 ( 9.349 0.000 0.000) 9.349 4.052 ( 18.370 0.000 0.000) 18.370 4.163 ( -4.082 0.000 0.000) 4.082 4.206 ( -4.603 0.000 0.000) 4.603 4.345 ( 0.570 0.000 0.000) 0.570 4.709 ( -0.308 0.000 0.000) 0.308 4.811 ( 9.056 0.000 0.000) 9.056 5.134 ( 11.661 0.000 0.000) 11.661 5.171 ( -1.226 0.000 0.000) 1.226 5.396 ( -0.215 0.000 0.000) 0.215 5.546 ( 2.571 0.000 0.000) 2.571 5.702 ( -2.444 0.000 0.000) 2.444 5.917 ( -0.823 0.000 0.000) 0.823 6.084 ( -3.178 0.000 0.000) 3.178 6.181 ( -1.211 0.000 0.000) 1.211 6.295 ( -1.585 0.000 0.000) 1.585 6.443 ( 4.581 0.000 0.000) 4.581 6.748 ( 5.151 0.000 0.000) 5.151 6.839 ( -1.577 0.000 0.000) 1.577 6.886 ( 0.318 0.000 0.000) 0.318 7.279 ( 2.946 0.000 0.000) 2.946 7.299 ( 1.169 0.000 0.000) 1.169 7.378 ( -0.322 0.000 0.000) 0.322 7.541 ( 6.396 0.000 0.000) 6.396 7.583 ( 1.853 0.000 0.000) 1.853 7.818 ( 4.875 0.000 0.000) 4.875 8.391 ( -3.608 0.000 0.000) 3.608 9.430 ( -5.029 0.000 0.000) 5.029 9.651 ( -6.655 0.000 0.000) 6.655 18.970 ( 0.859 0.000 0.000) 0.859 18.974 ( 1.446 0.000 0.000) 1.446 19.567 ( -0.434 0.000 0.000) 0.434 19.721 ( -0.332 0.000 0.000) 0.332 20.733 ( 5.021 0.000 0.000) 5.021 20.861 ( 1.143 0.000 0.000) 1.143 21.460 ( -1.052 0.000 0.000) 1.052 21.468 ( -0.933 0.000 0.000) 0.933 24.303 ( -0.027 0.000 0.000) 0.027 24.656 ( -0.351 0.000 0.000) 0.351 24.836 ( -0.101 0.000 0.000) 0.101 25.088 ( -0.477 0.000 0.000) 0.477 32.035 ( -0.642 0.000 0.000) 0.642 32.064 ( -1.596 0.000 0.000) 1.596 32.348 ( -0.924 0.000 0.000) 0.924 32.359 ( -0.759 0.000 0.000) 0.759 42.572 ( 4.477 0.000 0.000) 4.477 42.849 ( -7.251 0.000 0.000) 7.251 42.908 ( -0.571 0.000 0.000) 0.571 43.017 ( -4.232 0.000 0.000) 4.232 43.387 ( 5.125 0.000 0.000) 5.125 44.221 ( 13.708 0.000 0.000) 13.708 44.706 ( -7.573 0.000 0.000) 7.573 46.289 ( -1.477 0.000 0.000) 1.477 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 23.689 0.000 0.000) 23.689 1.039 ( 27.086 0.000 0.000) 27.086 2.211 ( 33.791 0.000 0.000) 33.791 2.944 ( 2.165 0.000 0.000) 2.165 3.000 ( 6.452 0.000 0.000) 6.452 3.202 ( -3.761 0.000 0.000) 3.761 3.234 ( 3.465 0.000 0.000) 3.465 3.661 ( 9.992 0.000 0.000) 9.992 3.973 ( -7.080 0.000 0.000) 7.080 4.085 ( -7.727 0.000 0.000) 7.727 4.347 ( -0.668 0.000 0.000) 0.668 4.452 ( 5.696 0.000 0.000) 5.696 4.829 ( 22.184 0.000 0.000) 22.184 5.080 ( 15.452 0.000 0.000) 15.452 5.124 ( -4.478 0.000 0.000) 4.478 5.305 ( -6.188 0.000 0.000) 6.188 5.349 ( 9.948 0.000 0.000) 9.948 5.651 ( -2.169 0.000 0.000) 2.169 5.664 ( 5.707 0.000 0.000) 5.707 5.916 ( 1.301 0.000 0.000) 1.301 6.029 ( -1.981 0.000 0.000) 1.981 6.064 ( -8.854 0.000 0.000) 8.854 6.315 ( 2.804 0.000 0.000) 2.804 6.548 ( 5.570 0.000 0.000) 5.570 6.792 ( -2.353 0.000 0.000) 2.353 6.858 ( 4.650 0.000 0.000) 4.650 6.908 ( 1.910 0.000 0.000) 1.910 7.257 ( -1.891 0.000 0.000) 1.891 7.408 ( 3.049 0.000 0.000) 3.049 7.443 ( 10.762 0.000 0.000) 10.762 7.664 ( 5.900 0.000 0.000) 5.900 7.681 ( 7.913 0.000 0.000) 7.913 7.917 ( 4.885 0.000 0.000) 4.885 8.288 ( -6.933 0.000 0.000) 6.933 9.312 ( -6.382 0.000 0.000) 6.382 9.462 ( -12.695 0.000 0.000) 12.695 18.992 ( 1.399 0.000 0.000) 1.399 19.010 ( 2.162 0.000 0.000) 2.162 19.557 ( -0.495 0.000 0.000) 0.495 19.712 ( -0.557 0.000 0.000) 0.557 20.862 ( 7.730 0.000 0.000) 7.730 20.890 ( 1.761 0.000 0.000) 1.761 21.434 ( -1.487 0.000 0.000) 1.487 21.446 ( -1.172 0.000 0.000) 1.172 24.302 ( -0.045 0.000 0.000) 0.045 24.647 ( -0.561 0.000 0.000) 0.561 24.833 ( -0.164 0.000 0.000) 0.164 25.076 ( -0.728 0.000 0.000) 0.728 32.018 ( -1.010 0.000 0.000) 1.010 32.023 ( -2.402 0.000 0.000) 2.402 32.324 ( -1.510 0.000 0.000) 1.510 32.339 ( -1.218 0.000 0.000) 1.218 42.669 ( -10.228 0.000 0.000) 10.228 42.681 ( 5.941 0.000 0.000) 5.941 42.904 ( 0.565 0.000 0.000) 0.565 42.930 ( -4.718 0.000 0.000) 4.718 43.514 ( 7.203 0.000 0.000) 7.203 44.509 ( -11.984 0.000 0.000) 11.984 44.554 ( 19.590 0.000 0.000) 19.590 46.241 ( -3.586 0.000 0.000) 3.586 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 17.154 0.000 0.000) 17.154 1.546 ( 24.498 0.000 0.000) 24.498 2.425 ( -1.471 0.000 0.000) 1.471 2.983 ( 1.557 0.000 0.000) 1.557 3.165 ( -0.095 0.000 0.000) 0.095 3.331 ( 14.714 0.000 0.000) 14.714 3.354 ( 8.914 0.000 0.000) 8.914 3.839 ( 5.024 0.000 0.000) 5.024 3.880 ( -1.105 0.000 0.000) 1.105 3.930 ( -4.589 0.000 0.000) 4.589 4.299 ( -4.860 0.000 0.000) 4.860 4.535 ( 8.162 0.000 0.000) 8.162 4.970 ( -10.528 0.000 0.000) 10.528 5.206 ( 13.465 0.000 0.000) 13.465 5.235 ( -1.044 0.000 0.000) 1.044 5.358 ( 4.964 0.000 0.000) 4.964 5.588 ( 16.698 0.000 0.000) 16.698 5.664 ( 5.312 0.000 0.000) 5.312 5.687 ( -2.904 0.000 0.000) 2.904 5.828 ( -9.430 0.000 0.000) 9.430 6.037 ( 4.626 0.000 0.000) 4.626 6.042 ( 5.054 0.000 0.000) 5.054 6.381 ( 4.202 0.000 0.000) 4.202 6.602 ( -1.352 0.000 0.000) 1.352 6.815 ( 6.298 0.000 0.000) 6.298 6.891 ( -1.550 0.000 0.000) 1.550 6.971 ( 5.206 0.000 0.000) 5.206 7.263 ( 3.037 0.000 0.000) 3.037 7.479 ( 3.978 0.000 0.000) 3.978 7.626 ( 6.368 0.000 0.000) 6.368 7.751 ( 2.468 0.000 0.000) 2.468 7.882 ( 11.712 0.000 0.000) 11.712 8.007 ( 5.035 0.000 0.000) 5.035 8.127 ( -9.378 0.000 0.000) 9.378 9.172 ( -16.677 0.000 0.000) 16.677 9.209 ( -3.905 0.000 0.000) 3.905 19.020 ( 1.410 0.000 0.000) 1.410 19.052 ( 1.957 0.000 0.000) 1.957 19.550 ( -0.250 0.000 0.000) 0.250 19.701 ( -0.581 0.000 0.000) 0.581 20.924 ( 1.640 0.000 0.000) 1.640 21.010 ( 6.945 0.000 0.000) 6.945 21.407 ( -1.210 0.000 0.000) 1.210 21.429 ( -0.442 0.000 0.000) 0.442 24.301 ( -0.048 0.000 0.000) 0.048 24.636 ( -0.557 0.000 0.000) 0.557 24.830 ( -0.164 0.000 0.000) 0.164 25.061 ( -0.679 0.000 0.000) 0.679 31.978 ( -2.183 0.000 0.000) 2.183 31.998 ( -0.977 0.000 0.000) 0.977 32.293 ( -1.540 0.000 0.000) 1.540 32.315 ( -1.206 0.000 0.000) 1.206 42.481 ( -8.721 0.000 0.000) 8.721 42.771 ( 3.000 0.000 0.000) 3.000 42.840 ( -4.323 0.000 0.000) 4.323 42.949 ( 4.223 0.000 0.000) 4.223 43.631 ( 3.757 0.000 0.000) 3.757 44.283 ( -9.984 0.000 0.000) 9.984 44.948 ( 20.461 0.000 0.000) 20.461 46.144 ( -6.540 0.000 0.000) 6.540 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 5.521 0.000 0.000) 5.521 1.954 ( 16.458 0.000 0.000) 16.458 2.429 ( 3.301 0.000 0.000) 3.301 3.001 ( 0.456 0.000 0.000) 0.456 3.176 ( 1.139 0.000 0.000) 1.139 3.373 ( -5.666 0.000 0.000) 5.666 3.550 ( 8.517 0.000 0.000) 8.517 3.740 ( -3.665 0.000 0.000) 3.665 3.910 ( 1.708 0.000 0.000) 1.708 4.054 ( 7.743 0.000 0.000) 7.743 4.150 ( -9.658 0.000 0.000) 9.658 4.764 ( -9.813 0.000 0.000) 9.813 4.767 ( 12.053 0.000 0.000) 12.053 5.248 ( 2.074 0.000 0.000) 2.074 5.354 ( -2.051 0.000 0.000) 2.051 5.440 ( 10.987 0.000 0.000) 10.987 5.567 ( -7.780 0.000 0.000) 7.780 5.707 ( -3.011 0.000 0.000) 3.011 5.733 ( 4.957 0.000 0.000) 4.957 5.801 ( 1.875 0.000 0.000) 1.875 6.113 ( 2.050 0.000 0.000) 2.050 6.224 ( 8.753 0.000 0.000) 8.753 6.471 ( 4.330 0.000 0.000) 4.330 6.535 ( -4.067 0.000 0.000) 4.067 6.829 ( -3.525 0.000 0.000) 3.525 7.039 ( 16.319 0.000 0.000) 16.319 7.115 ( 9.240 0.000 0.000) 9.240 7.343 ( 3.958 0.000 0.000) 3.958 7.556 ( 3.718 0.000 0.000) 3.718 7.695 ( 1.556 0.000 0.000) 1.556 7.725 ( -5.988 0.000 0.000) 5.988 7.943 ( -8.931 0.000 0.000) 8.931 8.021 ( 2.948 0.000 0.000) 2.948 8.159 ( 8.684 0.000 0.000) 8.684 8.857 ( -14.180 0.000 0.000) 14.180 9.162 ( -1.174 0.000 0.000) 1.174 19.043 ( 0.877 0.000 0.000) 0.877 19.082 ( 1.112 0.000 0.000) 1.112 19.547 ( -0.035 0.000 0.000) 0.035 19.691 ( -0.370 0.000 0.000) 0.370 20.950 ( 0.945 0.000 0.000) 0.945 21.113 ( 3.507 0.000 0.000) 3.507 21.389 ( -0.602 0.000 0.000) 0.602 21.431 ( 0.491 0.000 0.000) 0.491 24.300 ( -0.030 0.000 0.000) 0.030 24.627 ( -0.344 0.000 0.000) 0.344 24.827 ( -0.101 0.000 0.000) 0.101 25.051 ( -0.397 0.000 0.000) 0.397 31.944 ( -1.240 0.000 0.000) 1.240 31.983 ( -0.589 0.000 0.000) 0.589 32.268 ( -0.974 0.000 0.000) 0.974 32.295 ( -0.739 0.000 0.000) 0.739 42.346 ( -4.930 0.000 0.000) 4.930 42.771 ( -2.608 0.000 0.000) 2.608 42.809 ( 1.261 0.000 0.000) 1.261 43.041 ( 4.323 0.000 0.000) 4.323 43.633 ( -2.919 0.000 0.000) 2.919 44.164 ( -2.390 0.000 0.000) 2.390 45.323 ( 17.417 0.000 0.000) 17.417 45.987 ( -9.425 0.000 0.000) 9.425 ======================= Grid point 5 (6/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.200 ( -0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.845 ( -0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.472 ( -0.000 0.000 0.000) 0.000 5.566 ( -0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.813 ( -0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.284 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.379 ( 0.000 0.000 0.000) 0.000 7.385 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.650 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 0.000) 0.000 7.826 ( -0.000 0.000 0.000) 0.000 8.048 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 19.052 ( 0.000 0.000 0.000) 0.000 19.093 ( 0.000 0.000 0.000) 0.000 19.547 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 20.959 ( 0.000 0.000 0.000) 0.000 21.146 ( 0.000 0.000 0.000) 0.000 21.384 ( 0.000 0.000 0.000) 0.000 21.438 ( 0.000 0.000 0.000) 0.000 24.300 ( 0.000 0.000 0.000) 0.000 24.624 ( 0.000 0.000 0.000) 0.000 24.826 ( 0.000 0.000 0.000) 0.000 25.047 ( 0.000 0.000 0.000) 0.000 31.931 ( 0.000 0.000 0.000) 0.000 31.977 ( 0.000 0.000 0.000) 0.000 32.258 ( 0.000 0.000 0.000) 0.000 32.288 ( 0.000 0.000 0.000) 0.000 42.297 ( 0.000 0.000 0.000) 0.000 42.745 ( 0.000 0.000 0.000) 0.000 42.822 ( 0.000 0.000 0.000) 0.000 43.088 ( 0.000 0.000 0.000) 0.000 43.588 ( 0.000 0.000 0.000) 0.000 44.150 ( 0.000 0.000 0.000) 0.000 45.544 ( 0.000 0.000 0.000) 0.000 45.845 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/120) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 23.522 0.000) 23.522 0.566 ( 0.000 28.351 0.000) 28.351 1.063 ( 0.000 52.131 0.000) 52.131 2.852 ( 0.000 -5.371 0.000) 5.371 3.101 ( 0.000 -1.205 0.000) 1.205 3.209 ( 0.000 -2.926 0.000) 2.926 3.302 ( 0.000 -0.636 0.000) 0.636 3.594 ( 0.000 8.141 0.000) 8.141 3.820 ( 0.000 3.300 0.000) 3.300 4.179 ( 0.000 -7.187 0.000) 7.187 4.260 ( 0.000 -4.401 0.000) 4.401 4.395 ( 0.000 0.117 0.000) 0.117 4.419 ( 0.000 5.677 0.000) 5.677 4.877 ( 0.000 -3.344 0.000) 3.344 4.905 ( 0.000 4.920 0.000) 4.920 5.380 ( 0.000 1.505 0.000) 1.505 5.394 ( 0.000 -2.232 0.000) 2.232 5.500 ( 0.000 -1.077 0.000) 1.077 5.742 ( 0.000 2.088 0.000) 2.088 5.909 ( 0.000 -1.797 0.000) 1.797 5.976 ( 0.000 -8.225 0.000) 8.225 6.139 ( 0.000 -2.776 0.000) 2.776 6.251 ( 0.000 6.290 0.000) 6.290 6.522 ( 0.000 5.016 0.000) 5.016 6.543 ( 0.000 2.695 0.000) 2.695 6.907 ( 0.000 2.018 0.000) 2.018 7.227 ( 0.000 0.576 0.000) 0.576 7.274 ( 0.000 3.924 0.000) 3.924 7.309 ( 0.000 0.628 0.000) 0.628 7.415 ( 0.000 -2.162 0.000) 2.162 7.418 ( 0.000 0.571 0.000) 0.571 7.733 ( 0.000 -2.185 0.000) 2.185 7.808 ( 0.000 0.422 0.000) 0.422 8.429 ( 0.000 0.131 0.000) 0.131 9.129 ( 0.000 -3.936 0.000) 3.936 9.683 ( 0.000 -7.217 0.000) 7.217 18.932 ( 0.000 0.089 0.000) 0.089 18.959 ( 0.000 -0.067 0.000) 0.067 19.606 ( 0.000 -0.284 0.000) 0.284 19.730 ( 0.000 0.511 0.000) 0.511 20.682 ( 0.000 -0.080 0.000) 0.080 20.769 ( 0.000 -0.061 0.000) 0.061 21.463 ( 0.000 -0.708 0.000) 0.708 21.548 ( 0.000 -0.412 0.000) 0.412 24.303 ( 0.000 0.012 0.000) 0.012 24.679 ( 0.000 -0.309 0.000) 0.309 24.840 ( 0.000 0.289 0.000) 0.289 25.128 ( 0.000 -0.398 0.000) 0.398 32.044 ( 0.000 0.258 0.000) 0.258 32.100 ( 0.000 -0.147 0.000) 0.147 32.370 ( 0.000 0.272 0.000) 0.272 32.410 ( 0.000 0.260 0.000) 0.260 42.398 ( 0.000 -4.609 0.000) 4.609 42.575 ( 0.000 2.903 0.000) 2.903 42.899 ( 0.000 -2.030 0.000) 2.030 43.072 ( 0.000 0.380 0.000) 0.380 43.334 ( 0.000 -0.074 0.000) 0.074 44.210 ( 0.000 1.854 0.000) 1.854 44.830 ( 0.000 9.971 0.000) 9.971 46.231 ( 0.000 -3.777 0.000) 3.777 ======================= Grid point 12 (8/120) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 16.528 20.516 0.000) 26.346 0.920 ( 23.004 23.459 0.000) 32.856 1.497 ( 42.677 28.138 0.000) 51.119 2.847 ( -1.468 -5.992 0.000) 6.169 3.046 ( -2.509 0.966 0.000) 2.688 3.120 ( -2.938 -2.773 0.000) 4.040 3.372 ( 3.972 4.710 0.000) 6.161 3.578 ( 0.282 5.128 0.000) 5.135 3.983 ( 8.517 -4.497 0.000) 9.631 4.073 ( -1.842 -5.181 0.000) 5.499 4.293 ( 2.052 2.389 0.000) 3.149 4.370 ( 0.061 4.017 0.000) 4.018 4.607 ( 9.317 -4.747 0.000) 10.457 4.804 ( 2.078 0.389 0.000) 2.114 5.038 ( 6.456 -2.275 0.000) 6.845 5.379 ( -1.039 -0.395 0.000) 1.111 5.400 ( 0.801 6.455 0.000) 6.505 5.518 ( 3.802 -0.704 0.000) 3.866 5.721 ( -1.439 0.053 0.000) 1.440 5.919 ( 0.044 1.190 0.000) 1.191 6.030 ( 0.475 -6.716 0.000) 6.733 6.160 ( 1.251 -0.569 0.000) 1.374 6.302 ( 4.492 0.905 0.000) 4.582 6.468 ( -2.516 2.663 0.000) 3.663 6.596 ( 4.880 0.214 0.000) 4.885 6.846 ( -3.820 0.316 0.000) 3.833 7.175 ( -5.190 8.893 0.000) 10.296 7.316 ( 3.199 1.952 0.000) 3.748 7.318 ( 1.010 2.854 0.000) 3.027 7.356 ( -0.618 -0.722 0.000) 0.951 7.495 ( 4.671 -3.076 0.000) 5.592 7.689 ( -2.133 6.657 0.000) 6.990 7.809 ( 6.121 -0.687 0.000) 6.159 8.393 ( -3.701 0.041 0.000) 3.701 9.202 ( -0.012 -12.417 0.000) 12.417 9.659 ( -3.606 -4.643 0.000) 5.879 18.946 ( 1.057 -0.617 0.000) 1.224 18.991 ( 2.440 0.303 0.000) 2.459 19.583 ( -1.405 0.764 0.000) 1.600 19.712 ( -0.954 -0.273 0.000) 0.992 20.742 ( 4.796 0.527 0.000) 4.825 20.827 ( 4.191 -1.978 0.000) 4.634 21.441 ( -1.907 -0.882 0.000) 2.101 21.498 ( -2.784 0.957 0.000) 2.944 24.303 ( -0.019 0.020 0.000) 0.028 24.664 ( -0.939 0.251 0.000) 0.971 24.838 ( -0.118 0.271 0.000) 0.296 25.102 ( -1.466 0.625 0.000) 1.594 32.032 ( -0.922 0.129 0.000) 0.931 32.073 ( -2.097 0.322 0.000) 2.121 32.359 ( -0.982 0.276 0.000) 1.020 32.380 ( -1.864 1.632 0.000) 2.477 42.493 ( 4.546 -7.462 0.000) 8.738 42.644 ( 2.196 -9.446 0.000) 9.698 42.883 ( -0.884 0.376 0.000) 0.961 43.054 ( -2.208 1.336 0.000) 2.580 43.393 ( 5.614 0.506 0.000) 5.637 44.237 ( 3.635 -0.817 0.000) 3.725 44.815 ( -1.341 11.914 0.000) 11.989 46.264 ( 1.155 -3.137 0.000) 3.343 ======================= Grid point 13 (9/120) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 20.521 10.946 0.000) 23.258 1.345 ( 22.467 24.675 0.000) 33.371 2.268 ( 24.976 5.633 0.000) 25.603 2.828 ( 5.146 -5.278 0.000) 7.371 3.077 ( 3.234 1.049 0.000) 3.400 3.135 ( 5.810 1.078 0.000) 5.909 3.407 ( 1.943 12.571 0.000) 12.720 3.661 ( 7.016 -2.017 0.000) 7.300 3.914 ( -4.912 -4.448 0.000) 6.626 4.133 ( -2.165 3.430 0.000) 4.056 4.342 ( -0.167 -0.644 0.000) 0.665 4.402 ( 1.725 -2.396 0.000) 2.953 4.837 ( 18.013 0.967 0.000) 18.039 4.992 ( 14.898 -4.889 0.000) 15.680 5.116 ( 1.126 -2.604 0.000) 2.837 5.292 ( -5.362 -1.374 0.000) 5.535 5.470 ( 5.194 8.853 0.000) 10.265 5.585 ( 0.722 -3.707 0.000) 3.776 5.751 ( 4.379 3.555 0.000) 5.640 5.901 ( -0.613 1.407 0.000) 1.535 6.007 ( -1.597 -1.176 0.000) 1.983 6.144 ( -3.115 4.319 0.000) 5.325 6.342 ( 1.640 3.479 0.000) 3.846 6.510 ( 4.697 -3.973 0.000) 6.151 6.702 ( 3.783 -4.709 0.000) 6.040 6.813 ( 2.061 0.185 0.000) 2.069 7.062 ( -5.330 6.966 0.000) 8.771 7.297 ( -2.846 3.326 0.000) 4.377 7.354 ( 2.366 -4.447 0.000) 5.037 7.469 ( 8.837 0.737 0.000) 8.868 7.620 ( 9.315 -1.318 0.000) 9.408 7.748 ( 5.666 4.245 0.000) 7.079 7.929 ( 5.705 1.379 0.000) 5.869 8.289 ( -6.846 0.042 0.000) 6.846 9.121 ( -6.855 -11.908 0.000) 13.740 9.534 ( -8.806 0.516 0.000) 8.821 18.971 ( 1.488 -0.897 0.000) 1.737 19.036 ( 2.121 1.290 0.000) 2.483 19.563 ( -0.695 0.461 0.000) 0.834 19.699 ( -0.468 -1.056 0.000) 1.155 20.842 ( 4.798 -1.042 0.000) 4.910 20.911 ( 4.987 1.068 0.000) 5.100 21.410 ( -1.027 -1.588 0.000) 1.891 21.454 ( -1.961 0.182 0.000) 1.969 24.302 ( -0.033 0.039 0.000) 0.051 24.648 ( -0.713 0.067 0.000) 0.716 24.835 ( -0.185 0.233 0.000) 0.297 25.079 ( -0.996 0.286 0.000) 1.036 32.012 ( -1.165 -0.177 0.000) 1.178 32.028 ( -2.383 0.183 0.000) 2.390 32.335 ( -1.505 0.517 0.000) 1.591 32.347 ( -1.650 0.992 0.000) 1.925 42.515 ( -4.019 -8.408 0.000) 9.319 42.650 ( 1.551 -8.548 0.000) 8.688 42.879 ( -0.013 1.347 0.000) 1.347 43.000 ( -2.289 3.642 0.000) 4.302 43.526 ( 7.325 1.272 0.000) 7.435 44.265 ( -3.321 -11.273 0.000) 11.751 44.862 ( 8.517 17.986 0.000) 19.901 46.251 ( -2.387 0.048 0.000) 2.388 ======================= Grid point 14 (10/120) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 14.445 5.530 0.000) 15.467 1.785 ( 22.232 21.091 0.000) 30.644 2.386 ( -1.519 -2.647 0.000) 3.052 3.019 ( 6.330 1.291 0.000) 6.460 3.103 ( 0.802 -3.408 0.000) 3.501 3.325 ( 9.504 4.936 0.000) 10.709 3.519 ( 6.414 10.885 0.000) 12.634 3.753 ( -0.487 -5.275 0.000) 5.298 3.891 ( 5.096 -0.509 0.000) 5.121 4.088 ( -0.729 12.306 0.000) 12.327 4.302 ( -3.615 0.071 0.000) 3.615 4.460 ( 7.346 -5.684 0.000) 9.289 4.999 ( -5.754 0.390 0.000) 5.768 5.042 ( -0.514 -4.396 0.000) 4.425 5.269 ( 2.802 -5.324 0.000) 6.016 5.402 ( 15.964 0.385 0.000) 15.968 5.578 ( 3.931 0.771 0.000) 4.006 5.598 ( 5.705 0.253 0.000) 5.711 5.788 ( -0.219 4.306 0.000) 4.311 5.877 ( -5.218 3.323 0.000) 6.186 6.033 ( 8.022 3.453 0.000) 8.734 6.136 ( 3.007 5.490 0.000) 6.259 6.384 ( 2.425 1.103 0.000) 2.664 6.566 ( -0.127 -2.745 0.000) 2.748 6.757 ( 5.001 -4.044 0.000) 6.432 6.926 ( 7.002 0.635 0.000) 7.031 6.977 ( -3.036 1.405 0.000) 3.346 7.269 ( 1.039 -0.237 0.000) 1.066 7.413 ( 3.217 -4.731 0.000) 5.722 7.597 ( 4.462 -3.467 0.000) 5.651 7.803 ( 3.994 4.454 0.000) 5.983 7.901 ( 12.433 1.485 0.000) 12.522 8.016 ( 3.027 0.660 0.000) 3.098 8.140 ( -7.798 1.523 0.000) 7.945 8.966 ( -8.968 -10.421 0.000) 13.749 9.350 ( -9.026 4.249 0.000) 9.976 19.001 ( 1.467 -1.090 0.000) 1.827 19.072 ( 1.544 1.209 0.000) 1.961 19.553 ( -0.348 0.261 0.000) 0.435 19.694 ( -0.088 -0.657 0.000) 0.663 20.911 ( 2.520 -1.098 0.000) 2.749 21.018 ( 5.291 0.703 0.000) 5.337 21.401 ( -0.172 -0.599 0.000) 0.624 21.424 ( -0.764 -0.461 0.000) 0.892 24.302 ( -0.035 0.064 0.000) 0.073 24.636 ( -0.580 -0.024 0.000) 0.580 24.832 ( -0.184 0.193 0.000) 0.266 25.063 ( -0.750 0.089 0.000) 0.756 31.978 ( -2.132 0.055 0.000) 2.133 31.996 ( -0.990 -0.162 0.000) 1.003 32.303 ( -1.613 0.830 0.000) 1.814 32.317 ( -1.331 0.311 0.000) 1.367 42.392 ( -6.878 -6.992 0.000) 9.808 42.687 ( 1.507 -8.453 0.000) 8.586 42.845 ( -3.389 0.565 0.000) 3.436 43.021 ( 4.288 5.614 0.000) 7.064 43.635 ( 2.553 0.623 0.000) 2.628 44.142 ( -6.528 -10.875 0.000) 12.684 45.123 ( 16.390 14.644 0.000) 21.979 46.173 ( -5.691 2.269 0.000) 6.127 ======================= Grid point 15 (11/120) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 3.204 0.516 0.000) 3.245 2.166 ( 15.521 18.936 0.000) 24.484 2.429 ( 6.562 1.004 0.000) 6.639 3.040 ( -2.411 2.153 0.000) 3.232 3.117 ( -0.171 -4.423 0.000) 4.426 3.413 ( -2.142 6.242 0.000) 6.599 3.629 ( 9.826 5.284 0.000) 11.157 3.695 ( -3.546 -1.208 0.000) 3.746 4.002 ( 0.101 2.814 0.000) 2.816 4.073 ( -0.454 4.048 0.000) 4.074 4.239 ( 0.274 7.637 0.000) 7.642 4.678 ( 10.373 -6.668 0.000) 12.331 4.792 ( -10.732 2.273 0.000) 10.970 5.071 ( 1.138 -9.461 0.000) 9.530 5.297 ( -0.033 -4.675 0.000) 4.675 5.556 ( 2.430 2.483 0.000) 3.474 5.632 ( 3.466 3.431 0.000) 4.877 5.716 ( 0.069 -1.768 0.000) 1.770 5.766 ( 2.157 4.164 0.000) 4.689 5.829 ( 1.427 7.531 0.000) 7.665 6.184 ( 1.910 5.395 0.000) 5.723 6.234 ( 6.009 1.958 0.000) 6.320 6.443 ( 3.570 -2.125 0.000) 4.155 6.530 ( -2.118 -0.091 0.000) 2.120 6.822 ( -2.581 -0.950 0.000) 2.750 7.026 ( 13.795 -1.768 0.000) 13.908 7.096 ( 9.074 -1.986 0.000) 9.289 7.329 ( 4.000 -1.944 0.000) 4.448 7.467 ( 2.237 -6.134 0.000) 6.529 7.651 ( -0.188 -4.607 0.000) 4.611 7.769 ( -5.227 2.749 0.000) 5.906 7.962 ( -7.219 2.019 0.000) 7.496 8.063 ( 1.431 3.198 0.000) 3.504 8.158 ( 9.136 -0.043 0.000) 9.136 8.784 ( -8.734 -4.534 0.000) 9.841 9.223 ( -3.874 3.769 0.000) 5.405 19.025 ( 0.902 -1.213 0.000) 1.512 19.095 ( 0.770 0.672 0.000) 1.022 19.549 ( -0.115 0.108 0.000) 0.158 19.694 ( 0.072 0.210 0.000) 0.222 20.947 ( 1.206 -0.379 0.000) 1.264 21.096 ( 2.539 -1.367 0.000) 2.884 21.390 ( -0.662 -0.071 0.000) 0.666 21.435 ( 1.219 0.283 0.000) 1.252 24.301 ( -0.023 0.084 0.000) 0.087 24.627 ( -0.339 -0.027 0.000) 0.341 24.829 ( -0.114 0.161 0.000) 0.197 25.051 ( -0.414 0.029 0.000) 0.415 31.944 ( -1.245 0.056 0.000) 1.247 31.981 ( -0.534 -0.122 0.000) 0.548 32.277 ( -1.037 0.812 0.000) 1.317 32.297 ( -0.761 0.140 0.000) 0.773 42.280 ( -4.254 -5.582 0.000) 7.019 42.710 ( 1.034 -8.570 0.000) 8.632 42.780 ( -2.824 -0.180 0.000) 2.830 43.120 ( 5.036 6.761 0.000) 8.431 43.597 ( -5.254 -3.598 0.000) 6.368 44.083 ( 0.035 -6.295 0.000) 6.295 45.443 ( 15.577 10.791 0.000) 18.950 46.032 ( -8.695 4.043 0.000) 9.589 ======================= Grid point 16 (12/120) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 0.000 -1.336 0.000) 1.336 2.323 ( 0.000 16.544 0.000) 16.544 2.540 ( 0.000 7.152 0.000) 7.152 2.987 ( 0.000 -4.889 0.000) 4.889 3.109 ( -0.000 -2.314 0.000) 2.314 3.375 ( 0.000 8.870 0.000) 8.870 3.651 ( 0.000 -0.749 0.000) 0.749 3.852 ( 0.000 7.398 0.000) 7.398 3.859 ( -0.000 1.421 0.000) 1.421 4.071 ( 0.000 1.046 0.000) 1.046 4.306 ( 0.000 13.493 0.000) 13.493 4.622 ( 0.000 -2.721 0.000) 2.721 4.809 ( 0.000 -7.332 0.000) 7.332 5.083 ( 0.000 -10.480 0.000) 10.480 5.292 ( 0.000 -2.880 0.000) 2.880 5.559 ( -0.000 7.478 0.000) 7.478 5.640 ( 0.000 -5.361 0.000) 5.361 5.757 ( 0.000 -2.426 0.000) 2.426 5.776 ( -0.000 8.203 0.000) 8.203 5.888 ( 0.000 12.129 0.000) 12.129 6.197 ( 0.000 5.191 0.000) 5.191 6.256 ( 0.000 -1.622 0.000) 1.622 6.480 ( 0.000 -0.665 0.000) 0.665 6.517 ( 0.000 -0.066 0.000) 0.066 6.782 ( 0.000 -1.040 0.000) 1.040 7.156 ( 0.000 -3.472 0.000) 3.472 7.360 ( -0.000 -2.637 0.000) 2.637 7.372 ( 0.000 -1.150 0.000) 1.150 7.492 ( 0.000 -2.226 0.000) 2.226 7.505 ( 0.000 -9.599 0.000) 9.599 7.801 ( 0.000 5.586 0.000) 5.586 7.809 ( -0.000 -1.401 0.000) 1.401 8.078 ( 0.000 1.830 0.000) 1.830 8.255 ( 0.000 0.378 0.000) 0.378 8.689 ( 0.000 -0.089 0.000) 0.089 9.188 ( 0.000 2.648 0.000) 2.648 19.034 ( 0.000 -1.262 0.000) 1.262 19.102 ( 0.000 0.402 0.000) 0.402 19.548 ( 0.000 0.042 0.000) 0.042 19.695 ( 0.000 0.630 0.000) 0.630 20.958 ( 0.000 -0.158 0.000) 0.158 21.119 ( 0.000 -2.153 0.000) 2.153 21.383 ( 0.000 -0.151 0.000) 0.151 21.449 ( 0.000 0.896 0.000) 0.896 24.301 ( 0.000 0.092 0.000) 0.092 24.623 ( 0.000 -0.020 0.000) 0.020 24.828 ( 0.000 0.149 0.000) 0.149 25.047 ( 0.000 0.018 0.000) 0.018 31.932 ( 0.000 0.047 0.000) 0.047 31.976 ( -0.000 -0.082 0.000) 0.082 32.266 ( -0.000 0.774 0.000) 0.774 32.289 ( 0.000 0.121 0.000) 0.121 42.238 ( 0.000 -5.127 0.000) 5.127 42.726 ( 0.000 -9.365 0.000) 9.365 42.746 ( 0.000 0.160 0.000) 0.160 43.179 ( 0.000 8.366 0.000) 8.366 43.525 ( -0.000 -6.502 0.000) 6.502 44.092 ( 0.000 -4.442 0.000) 4.442 45.646 ( 0.000 9.182 0.000) 9.182 45.897 ( -0.000 4.965 0.000) 4.965 ======================= Grid point 22 (13/120) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 22.780 0.000) 22.780 1.091 ( 0.000 25.329 0.000) 25.329 1.953 ( 0.000 35.743 0.000) 35.743 2.657 ( 0.000 -14.065 0.000) 14.065 2.981 ( 0.000 -4.372 0.000) 4.372 3.338 ( 0.000 10.841 0.000) 10.841 3.342 ( 0.000 3.960 0.000) 3.960 3.697 ( 0.000 2.559 0.000) 2.559 3.871 ( 0.000 1.682 0.000) 1.682 4.043 ( 0.000 -6.056 0.000) 6.056 4.196 ( 0.000 -2.119 0.000) 2.119 4.358 ( 0.000 -3.274 0.000) 3.274 4.513 ( 0.000 2.935 0.000) 2.935 4.832 ( 0.000 -0.725 0.000) 0.725 5.038 ( 0.000 8.085 0.000) 8.085 5.346 ( 0.000 -2.179 0.000) 2.179 5.414 ( 0.000 1.746 0.000) 1.746 5.429 ( 0.000 -5.445 0.000) 5.445 5.716 ( 0.000 -6.653 0.000) 6.653 5.864 ( 0.000 -2.596 0.000) 2.596 5.929 ( 0.000 5.084 0.000) 5.084 6.095 ( 0.000 -1.663 0.000) 1.663 6.356 ( 0.000 3.987 0.000) 3.987 6.594 ( 0.000 2.115 0.000) 2.115 6.619 ( 0.000 4.469 0.000) 4.469 6.958 ( 0.000 2.631 0.000) 2.631 7.190 ( 0.000 -2.713 0.000) 2.713 7.356 ( 0.000 -3.658 0.000) 3.658 7.372 ( 0.000 5.521 0.000) 5.521 7.382 ( 0.000 5.422 0.000) 5.422 7.435 ( 0.000 1.286 0.000) 1.286 7.688 ( 0.000 -2.127 0.000) 2.127 7.809 ( 0.000 -0.420 0.000) 0.420 8.420 ( 0.000 -1.408 0.000) 1.408 9.038 ( 0.000 -4.585 0.000) 4.585 9.495 ( 0.000 -11.379 0.000) 11.379 18.934 ( 0.000 0.124 0.000) 0.124 18.957 ( 0.000 -0.098 0.000) 0.098 19.599 ( 0.000 -0.381 0.000) 0.381 19.742 ( 0.000 0.666 0.000) 0.666 20.680 ( 0.000 -0.111 0.000) 0.111 20.768 ( 0.000 -0.086 0.000) 0.086 21.447 ( 0.000 -0.839 0.000) 0.839 21.536 ( 0.000 -0.730 0.000) 0.730 24.303 ( 0.000 0.018 0.000) 0.018 24.671 ( 0.000 -0.424 0.000) 0.424 24.847 ( 0.000 0.403 0.000) 0.403 25.118 ( 0.000 -0.571 0.000) 0.571 32.051 ( 0.000 0.465 0.000) 0.465 32.096 ( 0.000 -0.200 0.000) 0.200 32.375 ( 0.000 0.235 0.000) 0.235 32.417 ( 0.000 0.347 0.000) 0.347 42.310 ( 0.000 -4.128 0.000) 4.128 42.621 ( 0.000 1.791 0.000) 1.791 42.854 ( 0.000 -2.262 0.000) 2.262 43.085 ( 0.000 0.828 0.000) 0.828 43.332 ( 0.000 -0.098 0.000) 0.098 44.255 ( 0.000 2.540 0.000) 2.540 45.084 ( 0.000 15.296 0.000) 15.296 46.121 ( 0.000 -7.471 0.000) 7.471 ======================= Grid point 23 (14/120) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 9.216 23.123 0.000) 24.892 1.291 ( 27.264 17.423 0.000) 32.356 2.112 ( 15.450 25.130 0.000) 29.499 2.709 ( 4.277 -6.005 0.000) 7.373 2.978 ( 1.214 -3.809 0.000) 3.998 3.210 ( -5.480 8.092 0.000) 9.773 3.473 ( 8.203 4.039 0.000) 9.143 3.664 ( -2.753 6.178 0.000) 6.764 3.883 ( -2.969 -5.274 0.000) 6.052 4.021 ( 5.878 -0.592 0.000) 5.908 4.273 ( 4.781 -2.545 0.000) 5.416 4.474 ( -0.101 3.938 0.000) 3.939 4.538 ( 11.579 -3.176 0.000) 12.007 4.824 ( 0.824 1.530 0.000) 1.738 5.051 ( 0.800 3.416 0.000) 3.508 5.338 ( -2.220 -1.983 0.000) 2.977 5.444 ( 3.102 -4.212 0.000) 5.231 5.491 ( 5.277 0.646 0.000) 5.316 5.728 ( 2.145 -2.187 0.000) 3.063 5.917 ( 3.695 -0.815 0.000) 3.784 5.957 ( 2.316 1.851 0.000) 2.965 6.135 ( 3.561 -1.596 0.000) 3.902 6.346 ( 0.218 2.832 0.000) 2.841 6.550 ( -3.986 4.737 0.000) 6.191 6.644 ( 1.629 2.996 0.000) 3.410 6.861 ( -5.675 1.298 0.000) 5.821 7.195 ( 0.451 -4.112 0.000) 4.137 7.318 ( -5.696 -0.721 0.000) 5.741 7.372 ( 1.044 -0.101 0.000) 1.049 7.415 ( 1.134 4.987 0.000) 5.114 7.469 ( 5.597 2.799 0.000) 6.258 7.762 ( 0.970 0.188 0.000) 0.988 7.822 ( 7.494 2.864 0.000) 8.023 8.383 ( -3.694 -1.312 0.000) 3.920 9.022 ( -2.476 -6.476 0.000) 6.933 9.491 ( -0.798 -11.282 0.000) 11.310 18.942 ( 0.803 0.029 0.000) 0.803 18.992 ( 3.069 -0.149 0.000) 3.073 19.588 ( -0.980 -0.111 0.000) 0.987 19.717 ( -2.026 0.592 0.000) 2.111 20.748 ( 5.408 0.136 0.000) 5.410 20.799 ( 3.724 -0.983 0.000) 3.852 21.424 ( -2.205 -0.852 0.000) 2.364 21.503 ( -2.688 -0.168 0.000) 2.693 24.303 ( -0.001 0.028 0.000) 0.029 24.663 ( -0.719 -0.225 0.000) 0.753 24.845 ( -0.157 0.383 0.000) 0.414 25.105 ( -1.091 -0.202 0.000) 1.110 32.039 ( -1.076 0.502 0.000) 1.187 32.075 ( -1.940 0.011 0.000) 1.940 32.364 ( -1.014 0.203 0.000) 1.034 32.402 ( -1.402 0.699 0.000) 1.567 42.356 ( 3.597 -5.782 0.000) 6.809 42.557 ( -5.201 -1.388 0.000) 5.383 42.876 ( 1.494 -1.222 0.000) 1.930 43.070 ( -1.595 0.329 0.000) 1.628 43.404 ( 6.749 0.584 0.000) 6.774 44.225 ( -3.406 0.286 0.000) 3.418 45.107 ( 2.833 16.692 0.000) 16.931 46.163 ( 3.326 -7.195 0.000) 7.927 ======================= Grid point 24 (15/120) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 13.294 17.719 0.000) 22.152 1.782 ( 22.763 18.014 0.000) 29.029 2.361 ( 4.187 0.919 0.000) 4.286 2.840 ( 10.525 7.763 0.000) 13.079 3.043 ( 4.141 -3.688 0.000) 5.545 3.245 ( 10.440 7.465 0.000) 12.834 3.552 ( -1.129 -3.619 0.000) 3.791 3.712 ( 8.215 14.806 0.000) 16.932 3.839 ( 0.287 -2.789 0.000) 2.804 4.165 ( 6.471 0.166 0.000) 6.473 4.333 ( 0.003 -0.187 0.000) 0.187 4.414 ( -2.840 2.418 0.000) 3.730 4.870 ( 16.383 1.608 0.000) 16.462 4.901 ( 10.169 -3.710 0.000) 10.825 5.069 ( 1.507 -1.612 0.000) 2.206 5.263 ( -5.323 -1.575 0.000) 5.551 5.477 ( 1.531 -6.125 0.000) 6.313 5.608 ( 4.507 3.774 0.000) 5.879 5.804 ( 5.367 1.945 0.000) 5.709 5.973 ( -0.442 3.562 0.000) 3.589 5.986 ( 3.543 1.109 0.000) 3.713 6.194 ( 1.870 0.960 0.000) 2.102 6.410 ( 5.817 -0.208 0.000) 5.821 6.480 ( -1.627 5.235 0.000) 5.482 6.660 ( -0.179 -0.514 0.000) 0.544 6.821 ( 1.692 0.303 0.000) 1.719 7.150 ( -6.784 1.783 0.000) 7.015 7.230 ( -1.484 -6.668 0.000) 6.831 7.368 ( -2.330 2.405 0.000) 3.349 7.447 ( 3.767 -2.064 0.000) 4.296 7.637 ( 11.995 2.412 0.000) 12.235 7.818 ( 4.792 2.452 0.000) 5.383 7.978 ( 6.233 3.433 0.000) 7.116 8.288 ( -5.538 -0.032 0.000) 5.538 8.935 ( -5.919 -6.642 0.000) 8.897 9.446 ( -3.947 -8.594 0.000) 9.457 18.963 ( 1.280 -0.069 0.000) 1.282 19.052 ( 2.721 0.407 0.000) 2.751 19.569 ( -0.854 0.033 0.000) 0.855 19.684 ( -1.029 -0.282 0.000) 1.067 20.829 ( 3.436 -0.411 0.000) 3.461 20.920 ( 7.116 -0.100 0.000) 7.116 21.383 ( -1.388 -1.169 0.000) 1.815 21.453 ( -2.393 -0.226 0.000) 2.403 24.303 ( -0.003 0.056 0.000) 0.056 24.648 ( -0.764 -0.087 0.000) 0.769 24.841 ( -0.240 0.329 0.000) 0.407 25.083 ( -1.108 0.033 0.000) 1.109 32.015 ( -1.359 0.379 0.000) 1.410 32.030 ( -2.483 0.086 0.000) 2.485 32.340 ( -1.380 0.154 0.000) 1.388 32.368 ( -1.950 0.935 0.000) 2.162 42.374 ( -3.771 -5.900 0.000) 7.003 42.488 ( -0.225 -6.495 0.000) 6.499 42.897 ( 0.147 0.308 0.000) 0.341 43.036 ( -0.687 -0.339 0.000) 0.767 43.560 ( 8.420 1.987 0.000) 8.651 44.110 ( -8.355 -4.491 0.000) 9.486 45.217 ( 8.766 18.042 0.000) 20.059 46.212 ( 1.166 -4.361 0.000) 4.514 ======================= Grid point 25 (16/120) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 7.775 10.640 0.000) 13.178 2.195 ( 19.610 16.646 0.000) 25.722 2.365 ( 1.523 1.552 0.000) 2.174 3.028 ( 6.539 3.729 0.000) 7.528 3.099 ( 1.956 0.038 0.000) 1.956 3.490 ( 10.063 8.963 0.000) 13.476 3.554 ( 2.040 -7.076 0.000) 7.364 3.789 ( 1.335 6.951 0.000) 7.078 3.908 ( 2.816 4.617 0.000) 5.408 4.258 ( -0.099 2.714 0.000) 2.716 4.302 ( 0.748 0.890 0.000) 1.162 4.445 ( 7.429 5.589 0.000) 9.297 4.928 ( -0.497 -2.632 0.000) 2.678 5.071 ( -4.109 0.996 0.000) 4.228 5.162 ( -1.298 -4.377 0.000) 4.565 5.296 ( 14.279 -8.020 0.000) 16.377 5.550 ( 7.233 -2.137 0.000) 7.542 5.687 ( 5.588 4.388 0.000) 7.105 5.865 ( 0.159 3.192 0.000) 3.196 5.947 ( -1.778 4.918 0.000) 5.229 6.118 ( 10.594 3.743 0.000) 11.236 6.224 ( 2.221 3.655 0.000) 4.277 6.460 ( -0.311 6.457 0.000) 6.464 6.534 ( 3.522 0.022 0.000) 3.522 6.675 ( 4.032 -4.105 0.000) 5.754 6.904 ( 5.719 -2.221 0.000) 6.135 7.010 ( -6.697 0.822 0.000) 6.747 7.201 ( -0.395 -6.210 0.000) 6.223 7.363 ( 1.234 -0.515 0.000) 1.337 7.513 ( 2.883 -4.726 0.000) 5.536 7.875 ( 4.061 2.363 0.000) 4.699 7.925 ( 10.940 0.799 0.000) 10.969 8.021 ( -0.664 -0.290 0.000) 0.725 8.199 ( -3.586 4.530 0.000) 5.778 8.821 ( -5.165 -4.050 0.000) 6.563 9.349 ( -5.566 -4.002 0.000) 6.855 18.989 ( 1.276 -0.197 0.000) 1.291 19.090 ( 1.154 0.604 0.000) 1.302 19.556 ( -0.507 -0.075 0.000) 0.512 19.681 ( 0.551 -0.559 0.000) 0.785 20.891 ( 2.851 -0.869 0.000) 2.981 21.032 ( 3.970 0.576 0.000) 4.012 21.385 ( 1.503 -1.018 0.000) 1.815 21.413 ( -1.486 -0.561 0.000) 1.588 24.303 ( -0.004 0.090 0.000) 0.091 24.635 ( -0.587 -0.062 0.000) 0.590 24.836 ( -0.234 0.267 0.000) 0.355 25.064 ( -0.820 0.042 0.000) 0.821 31.980 ( -2.172 0.138 0.000) 2.176 31.995 ( -1.075 0.064 0.000) 1.077 32.314 ( -1.256 0.234 0.000) 1.277 32.330 ( -1.821 0.883 0.000) 2.024 42.266 ( -5.842 -5.284 0.000) 7.877 42.497 ( 0.179 -9.955 0.000) 9.957 42.855 ( -3.875 0.531 0.000) 3.911 43.087 ( 5.382 -0.012 0.000) 5.382 43.669 ( -0.167 3.147 0.000) 3.151 43.959 ( -3.893 -6.872 0.000) 7.899 45.433 ( 12.724 16.131 0.000) 20.545 46.199 ( -2.576 -0.301 0.000) 2.593 ======================= Grid point 26 (17/120) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.478 5.287 0.000) 5.309 2.437 ( 7.701 4.787 0.000) 9.068 2.583 ( 16.848 13.839 0.000) 21.803 3.039 ( -4.359 4.012 0.000) 5.924 3.142 ( 1.052 3.931 0.000) 4.069 3.577 ( 0.638 -1.865 0.000) 1.971 3.599 ( 0.445 6.009 0.000) 6.026 3.815 ( 3.405 7.827 0.000) 8.535 3.980 ( 4.688 -1.260 0.000) 4.854 4.171 ( -7.072 3.272 0.000) 7.793 4.351 ( 5.470 2.441 0.000) 5.990 4.624 ( 6.444 1.542 0.000) 6.626 4.836 ( -10.186 1.283 0.000) 10.266 4.964 ( -1.819 -0.335 0.000) 1.850 5.201 ( 2.452 -5.296 0.000) 5.836 5.421 ( 2.240 -10.908 0.000) 11.136 5.687 ( 4.615 0.507 0.000) 4.643 5.773 ( -2.863 6.529 0.000) 7.129 5.891 ( 6.401 7.036 0.000) 9.512 5.968 ( 6.065 5.740 0.000) 8.350 6.251 ( 0.149 3.468 0.000) 3.471 6.341 ( 7.517 5.719 0.000) 9.445 6.443 ( 0.016 3.670 0.000) 3.670 6.544 ( -1.240 1.776 0.000) 2.166 6.785 ( -0.164 -2.959 0.000) 2.963 6.965 ( 10.081 -4.564 0.000) 11.066 7.023 ( 4.831 -5.665 0.000) 7.445 7.252 ( 5.116 -5.359 0.000) 7.408 7.378 ( -0.186 -3.080 0.000) 3.085 7.542 ( -1.628 -6.317 0.000) 6.523 7.798 ( -5.662 0.464 0.000) 5.681 8.011 ( -2.295 2.307 0.000) 3.254 8.108 ( -4.218 1.456 0.000) 4.462 8.166 ( 9.346 0.926 0.000) 9.392 8.753 ( -1.855 1.710 0.000) 2.523 9.255 ( -3.581 -0.723 0.000) 3.654 19.009 ( 0.762 -0.333 0.000) 0.831 19.101 ( 0.220 0.076 0.000) 0.233 19.549 ( -0.207 -0.150 0.000) 0.256 19.697 ( 0.873 0.056 0.000) 0.874 20.935 ( 1.592 -0.780 0.000) 1.772 21.078 ( 1.137 -0.321 0.000) 1.181 21.385 ( -0.810 -0.427 0.000) 0.915 21.435 ( 2.349 -0.314 0.000) 2.370 24.303 ( -0.003 0.119 0.000) 0.119 24.626 ( -0.324 -0.040 0.000) 0.326 24.833 ( -0.144 0.220 0.000) 0.263 25.052 ( -0.435 0.028 0.000) 0.436 31.945 ( -1.277 0.057 0.000) 1.278 31.979 ( -0.526 -0.029 0.000) 0.527 32.293 ( -0.870 0.602 0.000) 1.058 32.302 ( -0.977 0.551 0.000) 1.122 42.171 ( -3.563 -4.858 0.000) 6.025 42.496 ( -0.078 -12.111 0.000) 12.111 42.782 ( -3.059 0.260 0.000) 3.070 43.211 ( 7.030 -0.014 0.000) 7.030 43.539 ( -9.795 0.102 0.000) 9.796 43.987 ( 3.502 -3.059 0.000) 4.650 45.681 ( 12.116 12.514 0.000) 17.419 46.114 ( -5.945 3.662 0.000) 6.983 ======================= Grid point 27 (18/120) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 4.140 0.000) 4.140 2.528 ( 0.000 5.575 0.000) 5.575 2.854 ( 0.000 -5.444 0.000) 5.444 2.893 ( -0.000 25.157 0.000) 25.157 3.143 ( -0.000 3.090 0.000) 3.090 3.579 ( -0.000 -5.601 0.000) 5.601 3.586 ( 0.000 11.447 0.000) 11.447 3.902 ( 0.000 3.125 0.000) 3.125 4.006 ( 0.000 1.353 0.000) 1.353 4.079 ( 0.000 4.311 0.000) 4.311 4.530 ( 0.000 6.401 0.000) 6.401 4.539 ( -0.000 -5.937 0.000) 5.937 4.749 ( -0.000 4.029 0.000) 4.029 4.955 ( 0.000 -2.620 0.000) 2.620 5.224 ( 0.000 -4.161 0.000) 4.161 5.443 ( -0.000 -12.712 0.000) 12.712 5.722 ( 0.000 7.123 0.000) 7.123 5.732 ( 0.000 1.372 0.000) 1.372 5.939 ( 0.000 8.669 0.000) 8.669 6.148 ( -0.000 12.089 0.000) 12.089 6.181 ( 0.000 -2.072 0.000) 2.072 6.375 ( -0.000 9.833 0.000) 9.833 6.486 ( 0.000 1.648 0.000) 1.648 6.516 ( 0.000 -0.087 0.000) 0.087 6.746 ( 0.000 -2.424 0.000) 2.424 7.063 ( 0.000 -5.728 0.000) 5.728 7.217 ( 0.000 -11.382 0.000) 11.382 7.346 ( -0.000 -1.467 0.000) 1.467 7.357 ( 0.000 -6.025 0.000) 6.025 7.412 ( 0.000 -6.001 0.000) 6.001 7.785 ( 0.000 -0.895 0.000) 0.895 7.913 ( 0.000 5.746 0.000) 5.746 8.089 ( 0.000 -0.456 0.000) 0.456 8.262 ( 0.000 0.262 0.000) 0.262 8.738 ( 0.000 4.878 0.000) 4.878 9.220 ( 0.000 0.146 0.000) 0.146 19.017 ( 0.000 -0.404 0.000) 0.404 19.103 ( 0.000 -0.241 0.000) 0.241 19.547 ( 0.000 -0.171 0.000) 0.171 19.706 ( 0.000 0.449 0.000) 0.449 20.950 ( 0.000 -0.664 0.000) 0.664 21.087 ( 0.000 -0.826 0.000) 0.826 21.377 ( 0.000 -0.489 0.000) 0.489 21.461 ( 0.000 0.145 0.000) 0.145 24.303 ( 0.000 0.130 0.000) 0.130 24.623 ( 0.000 -0.029 0.000) 0.029 24.831 ( 0.000 0.203 0.000) 0.203 25.047 ( 0.000 0.023 0.000) 0.023 31.933 ( 0.000 0.032 0.000) 0.032 31.974 ( -0.000 -0.057 0.000) 0.057 32.284 ( -0.000 0.828 0.000) 0.828 32.293 ( 0.000 0.348 0.000) 0.348 42.136 ( 0.000 -4.643 0.000) 4.643 42.495 ( 0.000 -13.105 0.000) 13.105 42.751 ( 0.000 0.265 0.000) 0.265 43.354 ( 0.000 -9.988 0.000) 9.988 43.364 ( -0.000 9.486 0.000) 9.486 44.026 ( 0.000 -2.007 0.000) 2.007 45.841 ( 0.000 9.624 0.000) 9.624 46.015 ( -0.000 6.507 0.000) 6.507 ======================= Grid point 33 (19/120) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 19.963 0.000) 19.963 1.536 ( 0.000 19.585 0.000) 19.585 2.294 ( 0.000 0.222 0.000) 0.222 2.346 ( 0.000 -16.555 0.000) 16.555 3.054 ( 0.000 10.062 0.000) 10.062 3.411 ( 0.000 2.444 0.000) 2.444 3.507 ( 0.000 1.354 0.000) 1.354 3.812 ( 0.000 15.193 0.000) 15.193 3.899 ( 0.000 1.405 0.000) 1.405 3.965 ( 0.000 -1.996 0.000) 1.996 4.159 ( 0.000 -1.968 0.000) 1.968 4.304 ( 0.000 -1.627 0.000) 1.627 4.490 ( 0.000 -6.054 0.000) 6.054 4.829 ( 0.000 -0.681 0.000) 0.681 5.174 ( 0.000 4.484 0.000) 4.484 5.328 ( 0.000 -3.869 0.000) 3.869 5.330 ( 0.000 0.994 0.000) 0.994 5.442 ( 0.000 1.123 0.000) 1.123 5.592 ( 0.000 -4.819 0.000) 4.819 5.816 ( 0.000 -2.192 0.000) 2.192 6.060 ( 0.000 6.838 0.000) 6.838 6.071 ( 0.000 -0.792 0.000) 0.792 6.396 ( 0.000 0.028 0.000) 0.028 6.620 ( 0.000 0.679 0.000) 0.679 6.687 ( 0.000 2.450 0.000) 2.450 6.971 ( 0.000 -1.273 0.000) 1.273 7.199 ( 0.000 3.996 0.000) 3.996 7.284 ( 0.000 -3.165 0.000) 3.165 7.400 ( 0.000 -2.275 0.000) 2.275 7.469 ( 0.000 3.937 0.000) 3.937 7.531 ( 0.000 6.027 0.000) 6.027 7.658 ( 0.000 -0.805 0.000) 0.805 7.793 ( 0.000 -1.038 0.000) 1.038 8.372 ( 0.000 -3.034 0.000) 3.034 8.975 ( 0.000 -1.652 0.000) 1.652 9.279 ( 0.000 -9.578 0.000) 9.578 18.936 ( 0.000 0.087 0.000) 0.087 18.955 ( 0.000 -0.071 0.000) 0.071 19.592 ( 0.000 -0.257 0.000) 0.257 19.753 ( 0.000 0.433 0.000) 0.433 20.678 ( 0.000 -0.078 0.000) 0.078 20.766 ( 0.000 -0.061 0.000) 0.061 21.434 ( 0.000 -0.494 0.000) 0.494 21.523 ( 0.000 -0.606 0.000) 0.606 24.304 ( 0.000 0.013 0.000) 0.013 24.664 ( 0.000 -0.293 0.000) 0.293 24.854 ( 0.000 0.285 0.000) 0.285 25.108 ( 0.000 -0.411 0.000) 0.411 32.061 ( 0.000 0.467 0.000) 0.467 32.092 ( 0.000 -0.212 0.000) 0.212 32.378 ( 0.000 0.078 0.000) 0.078 32.423 ( 0.000 0.223 0.000) 0.223 42.245 ( 0.000 -2.393 0.000) 2.393 42.646 ( 0.000 0.790 0.000) 0.790 42.819 ( 0.000 -1.199 0.000) 1.199 43.100 ( 0.000 0.635 0.000) 0.635 43.331 ( 0.000 -0.065 0.000) 0.065 44.299 ( 0.000 1.743 0.000) 1.743 45.396 ( 0.000 16.057 0.000) 16.057 45.941 ( 0.000 -10.999 0.000) 10.999 ======================= Grid point 34 (20/120) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 10.593 18.635 0.000) 21.436 1.635 ( 18.493 16.803 0.000) 24.987 2.211 ( 1.012 -10.084 0.000) 10.135 2.618 ( 16.502 -6.949 0.000) 17.905 3.046 ( -0.454 8.996 0.000) 9.008 3.333 ( -5.907 2.501 0.000) 6.414 3.527 ( 2.483 1.455 0.000) 2.878 3.829 ( -2.922 3.575 0.000) 4.617 3.885 ( 5.074 14.114 0.000) 14.998 4.013 ( 5.982 -0.600 0.000) 6.012 4.222 ( 5.451 -2.409 0.000) 5.960 4.475 ( -0.575 -4.200 0.000) 4.239 4.483 ( 14.224 -2.064 0.000) 14.373 4.846 ( 2.305 0.046 0.000) 2.305 5.132 ( -3.871 3.746 0.000) 5.387 5.291 ( -3.374 -4.430 0.000) 5.569 5.361 ( 1.259 -0.712 0.000) 1.446 5.521 ( 7.177 1.731 0.000) 7.383 5.639 ( 6.078 -4.722 0.000) 7.697 5.914 ( 7.612 -0.517 0.000) 7.630 6.036 ( -1.061 3.843 0.000) 3.987 6.125 ( 4.011 1.340 0.000) 4.229 6.386 ( -0.323 1.038 0.000) 1.087 6.612 ( -0.648 1.387 0.000) 1.531 6.704 ( 0.650 3.031 0.000) 3.100 6.888 ( -7.299 1.028 0.000) 7.371 7.110 ( -3.930 -3.308 0.000) 5.137 7.276 ( -2.126 -2.884 0.000) 3.583 7.347 ( -1.245 -1.327 0.000) 1.819 7.511 ( -0.651 4.398 0.000) 4.446 7.561 ( 3.378 4.569 0.000) 5.683 7.744 ( 4.445 -1.384 0.000) 4.656 7.879 ( 9.802 2.309 0.000) 10.070 8.343 ( -2.577 -2.220 0.000) 3.402 8.943 ( -3.242 -1.893 0.000) 3.754 9.270 ( -0.806 -10.071 0.000) 10.103 18.944 ( 0.787 0.098 0.000) 0.793 18.988 ( 3.104 -0.151 0.000) 3.108 19.583 ( -0.831 -0.238 0.000) 0.865 19.729 ( -2.194 0.544 0.000) 2.261 20.748 ( 6.364 -0.050 0.000) 6.364 20.786 ( 2.272 -0.428 0.000) 2.312 21.410 ( -2.223 -0.514 0.000) 2.282 21.498 ( -2.277 -0.317 0.000) 2.299 24.304 ( 0.017 0.021 0.000) 0.027 24.658 ( -0.535 -0.218 0.000) 0.578 24.852 ( -0.193 0.271 0.000) 0.332 25.100 ( -0.762 -0.277 0.000) 0.811 32.049 ( -1.074 0.464 0.000) 1.169 32.074 ( -1.715 -0.069 0.000) 1.716 32.367 ( -1.062 0.062 0.000) 1.063 32.411 ( -1.157 0.287 0.000) 1.192 42.270 ( 1.975 -2.997 0.000) 3.589 42.556 ( -7.515 0.789 0.000) 7.556 42.842 ( 1.882 -1.925 0.000) 2.692 43.072 ( -2.743 -0.005 0.000) 2.743 43.413 ( 7.616 0.331 0.000) 7.624 44.244 ( -5.836 1.192 0.000) 5.957 45.434 ( 3.983 16.332 0.000) 16.810 45.987 ( 4.384 -10.743 0.000) 11.603 ======================= Grid point 35 (21/120) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 7.585 15.621 0.000) 17.365 2.043 ( 17.834 7.789 0.000) 19.461 2.323 ( 8.754 -1.486 0.000) 8.879 2.890 ( 11.077 -7.644 0.000) 13.459 3.063 ( 3.100 7.648 0.000) 8.252 3.275 ( 0.894 -3.201 0.000) 3.324 3.613 ( 5.857 6.955 0.000) 9.093 3.798 ( 0.728 1.117 0.000) 1.333 3.979 ( 2.889 7.416 0.000) 7.959 4.210 ( 12.248 5.928 0.000) 13.607 4.337 ( 6.118 1.488 0.000) 6.297 4.438 ( -2.698 -0.178 0.000) 2.704 4.808 ( 17.394 -3.742 0.000) 17.792 4.925 ( 5.137 1.362 0.000) 5.315 5.062 ( -2.342 0.867 0.000) 2.498 5.209 ( -4.783 -4.641 0.000) 6.665 5.378 ( 2.203 -2.948 0.000) 3.680 5.648 ( 4.514 1.164 0.000) 4.662 5.798 ( 8.702 -1.712 0.000) 8.869 6.030 ( 2.320 3.019 0.000) 3.807 6.043 ( 3.695 1.956 0.000) 4.181 6.214 ( 4.847 1.797 0.000) 5.170 6.415 ( 3.819 1.269 0.000) 4.024 6.597 ( -0.586 4.320 0.000) 4.360 6.676 ( -2.769 2.775 0.000) 3.920 6.810 ( -0.093 -1.665 0.000) 1.667 7.059 ( -2.645 -7.016 0.000) 7.498 7.194 ( -5.354 -0.158 0.000) 5.356 7.365 ( 1.347 -1.451 0.000) 1.980 7.445 ( -3.922 1.292 0.000) 4.129 7.685 ( 9.790 2.014 0.000) 9.995 7.848 ( 6.139 1.040 0.000) 6.226 8.024 ( 2.139 0.509 0.000) 2.198 8.305 ( -0.250 2.127 0.000) 2.141 8.861 ( -4.590 -1.421 0.000) 4.805 9.252 ( -1.030 -9.793 0.000) 9.847 18.964 ( 1.250 0.122 0.000) 1.256 19.055 ( 3.229 0.021 0.000) 3.229 19.566 ( -0.898 -0.256 0.000) 0.934 19.686 ( -1.762 0.286 0.000) 1.785 20.824 ( 2.816 -0.080 0.000) 2.817 20.913 ( 8.260 -0.493 0.000) 8.275 21.366 ( -1.696 -0.559 0.000) 1.785 21.448 ( -2.573 -0.209 0.000) 2.582 24.304 ( 0.027 0.040 0.000) 0.048 24.646 ( -0.685 -0.112 0.000) 0.694 24.847 ( -0.298 0.232 0.000) 0.377 25.082 ( -0.981 -0.093 0.000) 0.986 32.024 ( -1.488 0.406 0.000) 1.542 32.032 ( -2.506 0.058 0.000) 2.507 32.342 ( -1.391 0.036 0.000) 1.391 32.381 ( -1.832 0.400 0.000) 1.876 42.285 ( -1.553 -3.177 0.000) 3.536 42.409 ( -6.478 -1.909 0.000) 6.753 42.891 ( 2.766 -0.860 0.000) 2.897 43.005 ( -3.229 -1.891 0.000) 3.742 43.591 ( 9.974 1.032 0.000) 10.027 44.075 ( -11.103 0.055 0.000) 11.103 45.550 ( 7.879 15.745 0.000) 17.607 46.083 ( 4.773 -8.591 0.000) 9.828 ======================= Grid point 36 (22/120) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 1.134 9.121 0.000) 9.191 2.313 ( 11.253 0.162 0.000) 11.254 2.527 ( 12.292 11.548 0.000) 16.865 3.037 ( 4.705 -5.626 0.000) 7.334 3.187 ( 8.062 8.353 0.000) 11.609 3.342 ( 4.873 -8.712 0.000) 9.982 3.726 ( 5.439 10.424 0.000) 11.758 3.855 ( 4.552 2.148 0.000) 5.033 3.998 ( -0.744 1.272 0.000) 1.474 4.301 ( -3.100 1.019 0.000) 3.263 4.368 ( -0.527 6.198 0.000) 6.221 4.525 ( 7.774 1.347 0.000) 7.890 4.936 ( -0.970 3.160 0.000) 3.306 5.046 ( 1.981 -1.529 0.000) 2.503 5.099 ( -3.335 -3.896 0.000) 5.128 5.154 ( 7.757 -5.656 0.000) 9.600 5.521 ( 12.335 -0.610 0.000) 12.350 5.741 ( 6.264 1.594 0.000) 6.463 5.901 ( 3.840 0.767 0.000) 3.915 6.055 ( -1.094 5.022 0.000) 5.139 6.176 ( 11.594 2.101 0.000) 11.783 6.298 ( 3.382 4.215 0.000) 5.404 6.516 ( 4.932 -2.601 0.000) 5.576 6.607 ( 1.830 6.033 0.000) 6.305 6.638 ( -0.917 2.522 0.000) 2.684 6.847 ( 3.428 -3.718 0.000) 5.057 6.963 ( -7.344 -5.631 0.000) 9.254 7.116 ( -1.534 -1.491 0.000) 2.139 7.359 ( -1.056 -0.075 0.000) 1.059 7.424 ( 0.739 -3.994 0.000) 4.062 7.900 ( 6.395 0.591 0.000) 6.423 7.929 ( 0.784 -0.365 0.000) 0.864 8.011 ( 4.249 -0.409 0.000) 4.269 8.292 ( -3.607 4.221 0.000) 5.552 8.801 ( -0.715 1.308 0.000) 1.491 9.229 ( -1.265 -6.967 0.000) 7.081 18.989 ( 1.224 0.131 0.000) 1.231 19.097 ( 1.002 0.252 0.000) 1.033 19.551 ( -0.563 -0.299 0.000) 0.638 19.674 ( 0.544 -0.163 0.000) 0.568 20.879 ( 2.671 -0.338 0.000) 2.692 21.039 ( 4.120 0.176 0.000) 4.123 21.367 ( 2.032 -0.698 0.000) 2.149 21.404 ( -1.872 -0.375 0.000) 1.910 24.305 ( 0.026 0.064 0.000) 0.069 24.634 ( -0.553 -0.057 0.000) 0.556 24.841 ( -0.288 0.186 0.000) 0.342 25.064 ( -0.797 -0.011 0.000) 0.797 31.982 ( -2.313 0.101 0.000) 2.315 31.998 ( -1.193 0.189 0.000) 1.208 32.317 ( -1.146 0.071 0.000) 1.149 32.344 ( -1.812 0.496 0.000) 1.878 42.201 ( -5.620 -1.161 0.000) 5.738 42.326 ( -2.911 -7.180 0.000) 7.748 42.867 ( -4.392 0.772 0.000) 4.459 43.034 ( 5.264 -3.995 0.000) 6.608 43.747 ( 0.965 4.134 0.000) 4.245 43.873 ( -4.208 -2.646 0.000) 4.971 45.725 ( 9.551 13.259 0.000) 16.341 46.151 ( 1.912 -4.525 0.000) 4.912 ======================= Grid point 37 (23/120) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -2.181 6.242 0.000) 6.612 2.514 ( 9.035 3.223 0.000) 9.593 2.743 ( 8.265 5.669 0.000) 10.022 3.119 ( 4.348 -0.727 0.000) 4.409 3.307 ( 3.991 10.612 0.000) 11.338 3.417 ( 1.892 -7.044 0.000) 7.294 3.792 ( -0.096 8.546 0.000) 8.547 3.929 ( 2.849 5.019 0.000) 5.772 4.017 ( 4.438 2.798 0.000) 5.246 4.205 ( -5.350 1.460 0.000) 5.545 4.374 ( 0.836 0.780 0.000) 1.143 4.571 ( -2.256 -7.879 0.000) 8.196 4.908 ( -1.626 5.850 0.000) 6.072 5.007 ( -3.165 1.971 0.000) 3.729 5.102 ( 3.293 -3.833 0.000) 5.053 5.232 ( -0.090 -7.243 0.000) 7.244 5.709 ( 5.478 1.471 0.000) 5.672 5.841 ( 0.817 0.637 0.000) 1.036 6.018 ( 7.116 4.930 0.000) 8.656 6.091 ( 6.821 7.678 0.000) 10.270 6.338 ( 0.612 4.643 0.000) 4.683 6.409 ( 9.521 2.481 0.000) 9.839 6.548 ( -0.302 3.266 0.000) 3.280 6.620 ( -1.202 6.360 0.000) 6.473 6.705 ( 5.511 -4.511 0.000) 7.122 6.840 ( -1.031 -6.695 0.000) 6.774 6.929 ( 4.355 -3.761 0.000) 5.755 7.141 ( 3.581 -5.478 0.000) 6.545 7.334 ( -1.855 -1.470 0.000) 2.367 7.413 ( -3.672 -6.448 0.000) 7.420 7.799 ( -4.641 -0.118 0.000) 4.643 8.033 ( 2.929 0.247 0.000) 2.940 8.148 ( -7.352 2.435 0.000) 7.745 8.181 ( 6.621 0.465 0.000) 6.637 8.823 ( 1.944 4.396 0.000) 4.807 9.206 ( -1.000 -3.593 0.000) 3.729 19.009 ( 0.722 0.149 0.000) 0.737 19.101 ( -0.286 -0.020 0.000) 0.286 19.544 ( -0.218 -0.308 0.000) 0.377 19.696 ( 1.329 -0.091 0.000) 1.332 20.922 ( 1.611 -0.444 0.000) 1.671 21.079 ( 0.698 0.297 0.000) 0.759 21.376 ( -0.953 -0.444 0.000) 1.051 21.426 ( 2.984 -0.511 0.000) 3.027 24.305 ( 0.016 0.084 0.000) 0.086 24.625 ( -0.302 -0.030 0.000) 0.304 24.836 ( -0.175 0.151 0.000) 0.231 25.052 ( -0.432 0.012 0.000) 0.433 31.946 ( -1.335 0.027 0.000) 1.336 31.980 ( -0.625 0.054 0.000) 0.627 32.299 ( -0.634 0.157 0.000) 0.653 32.315 ( -1.116 0.553 0.000) 1.245 42.109 ( -3.481 -1.265 0.000) 3.704 42.279 ( -1.856 -9.342 0.000) 9.524 42.788 ( -3.185 0.318 0.000) 3.201 43.135 ( 4.357 -5.079 0.000) 6.692 43.602 ( -7.991 4.150 0.000) 9.005 43.954 ( 5.093 -0.715 0.000) 5.143 45.899 ( 7.855 9.219 0.000) 12.112 46.155 ( -1.338 0.360 0.000) 1.386 ======================= Grid point 38 (24/120) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 6.075 0.000) 6.075 2.615 ( 0.000 3.363 0.000) 3.363 2.819 ( 0.000 1.763 0.000) 1.763 3.182 ( 0.000 -0.124 0.000) 0.124 3.339 ( -0.000 18.105 0.000) 18.105 3.426 ( 0.000 -8.330 0.000) 8.330 3.769 ( 0.000 6.134 0.000) 6.134 3.993 ( -0.000 6.977 0.000) 6.977 4.048 ( 0.000 5.468 0.000) 5.468 4.155 ( -0.000 2.173 0.000) 2.173 4.392 ( 0.000 -9.011 0.000) 9.011 4.521 ( -0.000 -6.353 0.000) 6.353 4.880 ( 0.000 6.266 0.000) 6.266 4.992 ( 0.000 5.059 0.000) 5.059 5.141 ( 0.000 -3.772 0.000) 3.772 5.215 ( -0.000 -9.227 0.000) 9.227 5.759 ( 0.000 2.265 0.000) 2.265 5.830 ( 0.000 1.786 0.000) 1.786 6.085 ( 0.000 5.650 0.000) 5.650 6.215 ( 0.000 6.358 0.000) 6.358 6.325 ( 0.000 5.462 0.000) 5.462 6.488 ( 0.000 -1.978 0.000) 1.978 6.554 ( 0.000 5.341 0.000) 5.341 6.595 ( 0.000 10.674 0.000) 10.674 6.699 ( -0.000 -2.188 0.000) 2.188 6.939 ( 0.000 -7.037 0.000) 7.037 7.010 ( 0.000 -7.890 0.000) 7.890 7.216 ( 0.000 -8.283 0.000) 8.283 7.264 ( -0.000 -7.443 0.000) 7.443 7.328 ( 0.000 -1.191 0.000) 1.191 7.775 ( 0.000 -0.182 0.000) 0.182 8.013 ( 0.000 4.193 0.000) 4.193 8.078 ( 0.000 -0.441 0.000) 0.441 8.265 ( 0.000 0.062 0.000) 0.062 8.846 ( 0.000 5.272 0.000) 5.272 9.195 ( 0.000 -2.215 0.000) 2.215 19.016 ( 0.000 0.170 0.000) 0.170 19.097 ( 0.000 -0.257 0.000) 0.257 19.542 ( 0.000 -0.305 0.000) 0.305 19.711 ( 0.000 0.064 0.000) 0.064 20.938 ( 0.000 -0.469 0.000) 0.469 21.084 ( 0.000 0.241 0.000) 0.241 21.366 ( 0.000 -0.503 0.000) 0.503 21.457 ( 0.000 -0.319 0.000) 0.319 24.305 ( 0.000 0.092 0.000) 0.092 24.622 ( 0.000 -0.020 0.000) 0.020 24.835 ( 0.000 0.139 0.000) 0.139 25.048 ( 0.000 0.016 0.000) 0.016 31.933 ( 0.000 -0.003 0.000) 0.003 31.974 ( -0.000 -0.000 0.000) 0.000 32.293 ( 0.000 0.211 0.000) 0.211 32.304 ( -0.000 0.563 0.000) 0.563 42.074 ( 0.000 -1.375 0.000) 1.375 42.260 ( 0.000 -10.065 0.000) 10.065 42.756 ( 0.000 0.259 0.000) 0.259 43.182 ( 0.000 -6.769 0.000) 6.769 43.518 ( 0.000 5.787 0.000) 5.787 44.006 ( 0.000 -0.342 0.000) 0.342 45.992 ( 0.000 5.468 0.000) 5.468 46.126 ( -0.000 4.334 0.000) 4.334 ======================= Grid point 44 (25/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 -0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 6.064 ( 0.000 0.000 0.000) 0.000 6.143 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 -0.000 0.000) 0.000 7.597 ( 0.000 -0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 9.174 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 18.954 ( 0.000 0.000 0.000) 0.000 19.590 ( 0.000 0.000 0.000) 0.000 19.758 ( 0.000 0.000 0.000) 0.000 20.677 ( 0.000 0.000 0.000) 0.000 20.765 ( 0.000 0.000 0.000) 0.000 21.429 ( 0.000 0.000 0.000) 0.000 21.516 ( 0.000 0.000 0.000) 0.000 24.304 ( 0.000 0.000 0.000) 0.000 24.661 ( 0.000 0.000 0.000) 0.000 24.857 ( 0.000 0.000 0.000) 0.000 25.103 ( 0.000 0.000 0.000) 0.000 32.066 ( 0.000 0.000 0.000) 0.000 32.089 ( 0.000 0.000 0.000) 0.000 32.379 ( 0.000 0.000 0.000) 0.000 32.425 ( 0.000 0.000 0.000) 0.000 42.221 ( 0.000 0.000 0.000) 0.000 42.653 ( 0.000 0.000 0.000) 0.000 42.807 ( 0.000 0.000 0.000) 0.000 43.107 ( 0.000 0.000 0.000) 0.000 43.330 ( 0.000 0.000 0.000) 0.000 44.317 ( 0.000 0.000 0.000) 0.000 45.677 ( 0.000 0.000 0.000) 0.000 45.711 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 46 (26/120) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 10.441 -0.000 0.000) 10.441 1.870 ( 21.185 -0.000 0.000) 21.185 1.980 ( -4.742 0.000 0.000) 4.742 2.512 ( 16.876 0.000 0.000) 16.876 3.151 ( -2.312 0.000 0.000) 2.312 3.343 ( -7.372 -0.000 0.000) 7.372 3.521 ( 4.969 0.000 0.000) 4.969 3.894 ( -2.355 0.000 0.000) 2.355 3.983 ( 3.246 0.000 0.000) 3.246 4.169 ( 4.434 -0.000 0.000) 4.434 4.186 ( 7.766 0.000 0.000) 7.766 4.352 ( 2.800 0.000 0.000) 2.800 4.463 ( 14.367 0.000 0.000) 14.367 4.835 ( 2.682 0.000 0.000) 2.682 5.176 ( -3.906 -0.000 0.000) 3.906 5.226 ( -4.644 0.000 0.000) 4.644 5.371 ( -0.717 0.000 0.000) 0.717 5.552 ( 9.902 0.000 0.000) 9.902 5.577 ( 4.326 -0.000 0.000) 4.326 5.906 ( 8.951 -0.000 0.000) 8.951 6.064 ( -0.407 0.000 0.000) 0.407 6.160 ( 2.378 0.000 0.000) 2.378 6.392 ( 1.337 0.000 0.000) 1.337 6.622 ( -0.007 0.000 0.000) 0.007 6.738 ( 1.832 -0.000 0.000) 1.832 6.896 ( -6.864 0.000 0.000) 6.864 7.082 ( -9.357 0.000 0.000) 9.357 7.242 ( -1.306 0.000 0.000) 1.306 7.331 ( -0.393 -0.000 0.000) 0.393 7.562 ( -2.409 0.000 0.000) 2.409 7.609 ( 2.029 -0.000 0.000) 2.029 7.726 ( 6.197 -0.000 0.000) 6.197 7.901 ( 10.716 0.000 0.000) 10.716 8.319 ( -1.023 0.000 0.000) 1.023 8.930 ( -3.288 0.000 0.000) 3.288 9.158 ( -1.309 0.000 0.000) 1.309 18.945 ( 0.804 0.000 0.000) 0.804 18.987 ( 3.072 0.000 0.000) 3.072 19.581 ( -0.837 0.000 0.000) 0.837 19.735 ( -2.145 0.000 0.000) 2.145 20.748 ( 6.786 -0.000 0.000) 6.786 20.782 ( 1.614 0.000 0.000) 1.614 21.405 ( -2.225 0.000 0.000) 2.225 21.494 ( -2.090 0.000 0.000) 2.090 24.304 ( 0.024 0.000 0.000) 0.024 24.656 ( -0.475 0.000 0.000) 0.475 24.855 ( -0.208 0.000 0.000) 0.208 25.097 ( -0.657 0.000 0.000) 0.657 32.055 ( -1.101 -0.000 0.000) 1.101 32.073 ( -1.588 0.000 0.000) 1.588 32.367 ( -1.078 0.000 0.000) 1.078 32.414 ( -1.111 0.000 0.000) 1.111 42.241 ( 1.488 0.000 0.000) 1.488 42.568 ( -7.789 0.000 0.000) 7.789 42.819 ( 1.500 0.000 0.000) 1.500 43.072 ( -3.320 0.000 0.000) 3.320 43.416 ( 7.892 0.000 0.000) 7.892 44.257 ( -6.223 0.000 0.000) 6.223 45.696 ( 2.229 0.000 0.000) 2.229 45.782 ( 6.651 -0.000 0.000) 6.651 ======================= Grid point 48 (27/120) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -0.467 0.000 0.000) 0.467 2.040 ( 12.946 -0.000 0.000) 12.946 2.362 ( 23.381 0.000 0.000) 23.381 2.770 ( 9.304 0.000 0.000) 9.304 3.147 ( 3.173 0.000 0.000) 3.173 3.236 ( -2.297 -0.000 0.000) 2.297 3.660 ( 8.674 -0.000 0.000) 8.674 3.859 ( -0.267 0.000 0.000) 0.267 4.016 ( 0.076 -0.000 0.000) 0.076 4.273 ( 4.654 -0.000 0.000) 4.654 4.400 ( 1.833 -0.000 0.000) 1.833 4.435 ( 13.855 0.000 0.000) 13.855 4.767 ( 16.448 0.000 0.000) 16.448 4.927 ( 6.234 0.000 0.000) 6.234 5.090 ( -3.803 0.000 0.000) 3.803 5.128 ( -5.401 0.000 0.000) 5.401 5.356 ( 1.382 0.000 0.000) 1.382 5.662 ( 3.768 0.000 0.000) 3.768 5.775 ( 10.760 -0.000 0.000) 10.760 6.059 ( 5.512 -0.000 0.000) 5.512 6.060 ( 1.506 0.000 0.000) 1.506 6.242 ( 5.819 0.000 0.000) 5.819 6.435 ( 2.514 0.000 0.000) 2.514 6.634 ( 1.302 0.000 0.000) 1.302 6.747 ( -5.380 -0.000 0.000) 5.380 6.762 ( 0.780 0.000 0.000) 0.780 6.978 ( -3.881 0.000 0.000) 3.881 7.186 ( -4.115 0.000 0.000) 4.115 7.351 ( 1.546 -0.000 0.000) 1.546 7.460 ( -6.107 -0.000 0.000) 6.107 7.705 ( 8.435 0.000 0.000) 8.435 7.862 ( 7.325 -0.000 0.000) 7.325 8.018 ( -0.778 0.000 0.000) 0.778 8.338 ( 2.987 0.000 0.000) 2.987 8.854 ( -3.698 0.000 0.000) 3.698 9.139 ( -0.418 0.000 0.000) 0.418 18.966 ( 1.264 -0.000 0.000) 1.264 19.055 ( 3.405 0.000 0.000) 3.405 19.563 ( -0.928 0.000 0.000) 0.928 19.689 ( -2.023 0.000 0.000) 2.023 20.824 ( 2.611 0.000 0.000) 2.611 20.907 ( 8.596 -0.000 0.000) 8.596 21.360 ( -1.758 0.000 0.000) 1.758 21.446 ( -2.616 0.000 0.000) 2.616 24.305 ( 0.039 0.000 0.000) 0.039 24.645 ( -0.641 0.000 0.000) 0.641 24.849 ( -0.322 0.000 0.000) 0.322 25.081 ( -0.907 0.000 0.000) 0.907 32.028 ( -1.528 -0.000 0.000) 1.528 32.032 ( -2.499 0.000 0.000) 2.499 32.342 ( -1.390 0.000 0.000) 1.390 32.385 ( -1.776 -0.000 0.000) 1.776 42.253 ( -0.636 0.000 0.000) 0.636 42.394 ( -9.286 -0.000 0.000) 9.286 42.878 ( 4.637 0.000 0.000) 4.637 42.986 ( -5.305 -0.000 0.000) 5.305 43.601 ( 10.452 0.000 0.000) 10.452 44.080 ( -11.571 0.000 0.000) 11.571 45.772 ( 5.541 0.000 0.000) 5.541 45.932 ( 7.997 -0.000 0.000) 7.997 ======================= Grid point 50 (28/120) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -2.350 0.000 0.000) 2.350 2.309 ( 13.994 0.000 0.000) 13.994 2.695 ( 11.044 0.000 0.000) 11.044 2.919 ( 7.462 0.000 0.000) 7.462 3.251 ( 2.872 -0.000 0.000) 2.872 3.287 ( 9.924 -0.000 0.000) 9.924 3.831 ( 8.457 -0.000 0.000) 8.457 3.900 ( 4.490 -0.000 0.000) 4.490 3.989 ( -2.864 -0.000 0.000) 2.864 4.309 ( -1.303 0.000 0.000) 1.303 4.420 ( 0.455 -0.000 0.000) 0.455 4.551 ( -2.434 0.000 0.000) 2.434 5.005 ( -0.745 0.000 0.000) 0.745 5.011 ( 1.405 -0.000 0.000) 1.405 5.060 ( 0.260 0.000 0.000) 0.260 5.079 ( 7.352 -0.000 0.000) 7.352 5.518 ( 14.129 0.000 0.000) 14.129 5.757 ( 6.536 0.000 0.000) 6.536 5.907 ( 5.372 -0.000 0.000) 5.372 6.111 ( 1.222 0.000 0.000) 1.222 6.193 ( 11.754 -0.000 0.000) 11.754 6.360 ( 5.164 -0.000 0.000) 5.164 6.463 ( 0.159 0.000 0.000) 0.159 6.668 ( 1.720 0.000 0.000) 1.720 6.728 ( 3.183 -0.000 0.000) 3.183 6.773 ( 0.164 -0.000 0.000) 0.164 6.881 ( -6.232 -0.000 0.000) 6.232 7.107 ( -3.207 0.000 0.000) 3.207 7.363 ( -0.409 -0.000 0.000) 0.409 7.376 ( -2.393 0.000 0.000) 2.393 7.906 ( 10.064 0.000 0.000) 10.064 7.922 ( -7.235 0.000 0.000) 7.235 8.008 ( 8.319 -0.000 0.000) 8.319 8.338 ( -4.861 0.000 0.000) 4.861 8.827 ( 1.388 0.000 0.000) 1.388 9.144 ( 0.760 0.000 0.000) 0.760 18.991 ( 1.234 -0.000 0.000) 1.234 19.100 ( 1.010 0.000 0.000) 1.010 19.548 ( -0.577 0.000 0.000) 0.577 19.672 ( 0.399 0.000 0.000) 0.399 20.876 ( 2.586 0.000 0.000) 2.586 21.040 ( 4.412 -0.000 0.000) 4.412 21.360 ( 2.030 0.000 0.000) 2.030 21.400 ( -1.989 0.000 0.000) 1.989 24.305 ( 0.039 0.000 0.000) 0.039 24.633 ( -0.532 0.000 0.000) 0.532 24.843 ( -0.311 0.000 0.000) 0.311 25.064 ( -0.770 0.000 0.000) 0.770 31.983 ( -2.353 0.000 0.000) 2.353 32.000 ( -1.278 -0.000 0.000) 1.278 32.317 ( -1.107 0.000 0.000) 1.107 32.349 ( -1.762 -0.000 0.000) 1.762 42.217 ( -2.739 0.000 0.000) 2.739 42.229 ( -7.411 -0.000 0.000) 7.411 42.879 ( -5.363 0.000 0.000) 5.363 42.985 ( 5.790 -0.000 0.000) 5.790 43.799 ( 9.458 -0.000 0.000) 9.458 43.841 ( -12.072 0.000 0.000) 12.072 45.895 ( 6.552 0.000 0.000) 6.552 46.067 ( 5.592 -0.000 0.000) 5.592 ======================= Grid point 52 (29/120) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -2.462 0.000 0.000) 2.462 2.548 ( 9.723 0.000 0.000) 9.723 2.832 ( 3.943 0.000 0.000) 3.943 3.066 ( 6.990 0.000 0.000) 6.990 3.313 ( 2.941 -0.000 0.000) 2.941 3.460 ( 6.762 -0.000 0.000) 6.762 3.882 ( -4.899 0.000 0.000) 4.899 4.014 ( 8.190 0.000 0.000) 8.190 4.021 ( 7.277 -0.000 0.000) 7.277 4.242 ( -4.667 -0.000 0.000) 4.667 4.411 ( -10.184 0.000 0.000) 10.184 4.418 ( -0.789 -0.000 0.000) 0.789 4.990 ( -3.478 0.000 0.000) 3.478 4.996 ( 2.348 -0.000 0.000) 2.348 5.079 ( 2.303 0.000 0.000) 2.303 5.160 ( -0.684 -0.000 0.000) 0.684 5.727 ( 6.433 0.000 0.000) 6.433 5.841 ( 0.497 0.000 0.000) 0.497 6.063 ( 8.003 -0.000 0.000) 8.003 6.197 ( 8.507 0.000 0.000) 8.507 6.404 ( 1.788 -0.000 0.000) 1.788 6.443 ( -2.226 0.000 0.000) 2.226 6.512 ( 18.097 0.000 0.000) 18.097 6.679 ( -0.539 -0.000 0.000) 0.539 6.736 ( -4.064 0.000 0.000) 4.064 6.760 ( -1.303 -0.000 0.000) 1.303 6.862 ( 5.945 -0.000 0.000) 5.945 7.086 ( 0.793 0.000 0.000) 0.793 7.315 ( -6.083 -0.000 0.000) 6.083 7.340 ( -1.742 0.000 0.000) 1.742 7.798 ( -4.012 -0.000 0.000) 4.012 8.034 ( 3.746 0.000 0.000) 3.746 8.178 ( -9.556 0.000 0.000) 9.556 8.183 ( 7.965 -0.000 0.000) 7.965 8.878 ( 2.671 0.000 0.000) 2.671 9.159 ( 0.609 0.000 0.000) 0.609 19.011 ( 0.750 0.000 0.000) 0.750 19.101 ( -0.489 0.000 0.000) 0.489 19.540 ( -0.218 0.000 0.000) 0.218 19.695 ( 1.431 0.000 0.000) 1.431 20.918 ( 1.577 0.000 0.000) 1.577 21.083 ( 0.710 0.000 0.000) 0.710 21.371 ( -1.025 0.000 0.000) 1.025 21.420 ( 3.145 0.000 0.000) 3.145 24.306 ( 0.024 0.000 0.000) 0.024 24.625 ( -0.292 0.000 0.000) 0.292 24.838 ( -0.188 0.000 0.000) 0.188 25.052 ( -0.426 0.000 0.000) 0.426 31.946 ( -1.367 0.000 0.000) 1.367 31.981 ( -0.685 -0.000 0.000) 0.685 32.301 ( -0.590 0.000 0.000) 0.590 32.321 ( -1.088 0.000 0.000) 1.088 42.117 ( -4.042 0.000 0.000) 4.042 42.165 ( -2.200 0.000 0.000) 2.200 42.792 ( -3.304 0.000 0.000) 3.304 43.079 ( 3.481 0.000 0.000) 3.481 43.647 ( -7.240 0.000 0.000) 7.240 43.948 ( 5.571 0.000 0.000) 5.571 46.004 ( 4.233 0.000 0.000) 4.233 46.146 ( 2.572 -0.000 0.000) 2.572 ======================= Grid point 54 (30/120) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 -0.000 0.000) 0.000 3.528 ( 0.000 -0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 4.146 ( -0.000 -0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.177 ( -0.000 0.000 0.000) 0.000 4.223 ( 0.000 -0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 5.069 ( -0.000 -0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 -0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.353 ( -0.000 -0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.637 ( 0.000 -0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 -0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 -0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 -0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 19.018 ( 0.000 0.000 0.000) 0.000 19.094 ( 0.000 0.000 0.000) 0.000 19.538 ( 0.000 0.000 0.000) 0.000 19.711 ( 0.000 0.000 0.000) 0.000 20.933 ( 0.000 0.000 0.000) 0.000 21.088 ( 0.000 0.000 0.000) 0.000 21.361 ( 0.000 0.000 0.000) 0.000 21.454 ( 0.000 0.000 0.000) 0.000 24.306 ( 0.000 0.000 0.000) 0.000 24.622 ( 0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 0.000) 0.000 25.048 ( 0.000 0.000 0.000) 0.000 31.933 ( 0.000 0.000 0.000) 0.000 31.974 ( 0.000 0.000 0.000) 0.000 32.295 ( 0.000 0.000 0.000) 0.000 32.310 ( 0.000 0.000 0.000) 0.000 42.077 ( 0.000 0.000 0.000) 0.000 42.142 ( 0.000 0.000 0.000) 0.000 42.759 ( 0.000 0.000 0.000) 0.000 43.113 ( -0.000 0.000 0.000) 0.000 43.576 ( 0.000 0.000 0.000) 0.000 44.004 ( 0.000 0.000 0.000) 0.000 46.046 ( 0.000 0.000 0.000) 0.000 46.170 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.000 0.000 28.693) 28.693 0.602 ( 0.000 0.000 29.915) 29.915 1.024 ( 0.000 0.000 50.416) 50.416 2.798 ( 0.000 0.000 -9.228) 9.228 2.982 ( 0.000 0.000 -9.119) 9.119 3.354 ( 0.000 0.000 5.738) 5.738 3.356 ( 0.000 0.000 2.896) 2.896 3.474 ( 0.000 0.000 3.683) 3.683 3.782 ( 0.000 0.000 0.242) 0.242 4.231 ( 0.000 0.000 -2.193) 2.193 4.304 ( 0.000 0.000 -4.889) 4.889 4.333 ( 0.000 0.000 -0.430) 0.430 4.349 ( 0.000 0.000 3.138) 3.138 4.893 ( 0.000 0.000 3.005) 3.005 5.156 ( 0.000 0.000 -4.615) 4.615 5.294 ( 0.000 0.000 2.312) 2.312 5.319 ( 0.000 0.000 -4.169) 4.169 5.455 ( 0.000 0.000 -7.234) 7.234 5.466 ( 0.000 0.000 4.554) 4.554 5.879 ( 0.000 0.000 -3.335) 3.335 6.010 ( 0.000 0.000 -4.342) 4.342 6.258 ( 0.000 0.000 -6.092) 6.092 6.269 ( 0.000 0.000 7.236) 7.236 6.354 ( 0.000 0.000 1.731) 1.731 6.471 ( 0.000 0.000 0.993) 0.993 6.626 ( 0.000 0.000 -6.149) 6.149 7.209 ( 0.000 0.000 -4.353) 4.353 7.212 ( 0.000 0.000 -2.732) 2.732 7.245 ( 0.000 0.000 1.127) 1.127 7.428 ( 0.000 0.000 -0.750) 0.750 7.739 ( 0.000 0.000 -1.953) 1.953 7.779 ( 0.000 0.000 -2.026) 2.026 7.779 ( 0.000 0.000 14.135) 14.135 8.338 ( 0.000 0.000 1.359) 1.359 9.497 ( 0.000 0.000 1.400) 1.400 9.842 ( 0.000 0.000 -2.034) 2.034 18.932 ( 0.000 0.000 0.115) 0.115 18.958 ( 0.000 0.000 -0.164) 0.164 19.580 ( 0.000 0.000 0.853) 0.853 19.731 ( 0.000 0.000 -0.777) 0.777 20.687 ( 0.000 0.000 0.428) 0.428 20.765 ( 0.000 0.000 -0.421) 0.421 21.476 ( 0.000 0.000 0.052) 0.052 21.478 ( 0.000 0.000 0.020) 0.020 24.419 ( 0.000 0.000 1.284) 1.284 24.648 ( 0.000 0.000 -1.195) 1.195 24.991 ( 0.000 0.000 0.506) 0.506 25.087 ( 0.000 0.000 -0.533) 0.533 32.081 ( 0.000 0.000 0.087) 0.087 32.084 ( 0.000 0.000 0.032) 0.032 32.358 ( 0.000 0.000 0.058) 0.058 32.376 ( 0.000 0.000 -0.139) 0.139 42.463 ( 0.000 0.000 -0.054) 0.054 42.516 ( 0.000 0.000 -0.922) 0.922 42.929 ( 0.000 0.000 1.408) 1.408 43.057 ( 0.000 0.000 0.680) 0.680 43.384 ( 0.000 0.000 4.759) 4.759 44.112 ( 0.000 0.000 1.729) 1.729 44.152 ( 0.000 0.000 -3.843) 3.843 44.737 ( 0.000 0.000 -4.399) 4.399 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 16.808 0.000 22.149) 27.804 0.872 ( 17.909 0.000 24.884) 30.659 1.530 ( 45.105 0.000 28.417) 53.310 2.815 ( 1.600 0.000 -8.730) 8.875 2.946 ( -2.562 0.000 -8.248) 8.637 3.264 ( -1.832 0.000 3.817) 4.234 3.349 ( -9.341 0.000 3.217) 9.879 3.533 ( 10.506 0.000 5.755) 11.979 4.016 ( 16.672 0.000 -2.673) 16.885 4.156 ( -6.335 0.000 -4.252) 7.630 4.188 ( -1.666 0.000 2.154) 2.723 4.359 ( 1.401 0.000 0.766) 1.597 4.545 ( 8.200 0.000 -6.204) 10.282 4.999 ( 4.143 0.000 6.074) 7.352 5.135 ( -2.393 0.000 -5.852) 6.322 5.155 ( 3.694 0.000 3.417) 5.032 5.315 ( -1.233 0.000 -5.425) 5.564 5.517 ( 6.679 0.000 -2.995) 7.319 5.669 ( 5.536 0.000 -0.022) 5.536 5.885 ( 0.194 0.000 -2.721) 2.728 6.002 ( -0.457 0.000 -5.211) 5.231 6.161 ( -4.874 0.000 -2.482) 5.470 6.344 ( 1.762 0.000 4.368) 4.710 6.381 ( 4.374 0.000 -3.859) 5.833 6.622 ( 9.039 0.000 -1.264) 9.127 6.687 ( 6.966 0.000 -5.427) 8.831 7.078 ( -8.343 0.000 1.241) 8.435 7.124 ( -2.764 0.000 -5.833) 6.455 7.375 ( 7.135 0.000 1.471) 7.285 7.490 ( 1.898 0.000 -0.768) 2.047 7.685 ( -1.812 0.000 12.198) 12.332 7.706 ( -0.596 0.000 5.641) 5.673 7.845 ( 4.403 0.000 5.654) 7.167 8.375 ( -0.138 0.000 -0.768) 0.781 9.437 ( -5.757 0.000 0.631) 5.791 9.622 ( -13.748 0.000 -2.147) 13.914 18.958 ( 1.639 0.000 -0.613) 1.750 18.972 ( 1.419 0.000 -0.188) 1.431 19.574 ( -0.538 0.000 0.737) 0.912 19.713 ( -0.973 0.000 -0.803) 1.261 20.737 ( 4.958 0.000 0.380) 4.972 20.828 ( 3.586 0.000 -1.887) 4.052 21.459 ( -1.342 0.000 -0.015) 1.342 21.468 ( -0.983 0.000 -0.032) 0.983 24.368 ( -2.715 0.000 3.879) 4.735 24.644 ( -0.374 0.000 -1.219) 1.276 24.900 ( -3.771 0.000 4.141) 5.601 25.082 ( -0.540 0.000 -0.601) 0.808 32.045 ( -2.038 0.000 0.652) 2.140 32.064 ( -1.656 0.000 0.023) 1.656 32.349 ( -0.932 0.000 0.048) 0.933 32.360 ( -1.053 0.000 0.045) 1.053 42.565 ( 4.583 0.000 -0.625) 4.625 42.710 ( 0.414 0.000 -7.755) 7.766 42.931 ( 0.416 0.000 2.229) 2.268 43.138 ( -0.671 0.000 6.520) 6.555 43.436 ( 5.078 0.000 4.747) 6.951 44.158 ( 13.601 0.000 -6.119) 14.915 44.663 ( -7.372 0.000 -4.204) 8.487 45.171 ( 53.260 0.000 -57.820) 78.612 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 22.905 0.000 13.223) 26.448 1.227 ( 18.344 0.000 19.460) 26.744 2.345 ( 28.139 0.000 13.061) 31.023 2.861 ( 3.234 0.000 -7.344) 8.024 2.964 ( 9.941 0.000 -4.655) 10.977 3.193 ( -4.990 0.000 0.576) 5.024 3.278 ( 2.823 0.000 3.391) 4.413 3.742 ( 10.349 0.000 7.443) 12.748 4.009 ( -5.980 0.000 3.118) 6.744 4.017 ( -7.245 0.000 -5.702) 9.220 4.366 ( -0.975 0.000 1.241) 1.578 4.413 ( 5.921 0.000 -2.840) 6.567 4.784 ( 23.764 0.000 -4.954) 24.275 5.053 ( -6.082 0.000 -8.090) 10.122 5.084 ( 6.137 0.000 1.059) 6.227 5.280 ( -1.825 0.000 -0.907) 2.038 5.336 ( 10.502 0.000 -1.650) 10.630 5.654 ( 4.631 0.000 -2.255) 5.151 5.688 ( -1.328 0.000 4.136) 4.344 5.885 ( -0.140 0.000 -2.954) 2.958 6.042 ( 4.633 0.000 1.247) 4.798 6.053 ( -5.407 0.000 0.014) 5.407 6.374 ( 2.460 0.000 4.685) 5.292 6.484 ( 5.412 0.000 -5.585) 7.777 6.744 ( 4.004 0.000 0.054) 4.004 6.841 ( 6.643 0.000 -1.829) 6.890 6.964 ( -3.125 0.000 1.922) 3.669 7.130 ( 3.005 0.000 -7.274) 7.870 7.486 ( 4.953 0.000 0.893) 5.033 7.491 ( -0.043 0.000 2.265) 2.265 7.735 ( 4.396 0.000 8.659) 9.711 7.760 ( 6.204 0.000 5.339) 8.186 7.932 ( 4.530 0.000 2.818) 5.335 8.316 ( -5.308 0.000 2.577) 5.900 9.302 ( -7.288 0.000 -1.084) 7.368 9.364 ( -13.766 0.000 -8.388) 16.121 18.988 ( 1.571 0.000 -0.306) 1.600 19.008 ( 2.103 0.000 -0.267) 2.120 19.563 ( -0.566 0.000 0.556) 0.793 19.699 ( -0.581 0.000 -1.242) 1.371 20.863 ( 7.532 0.000 0.132) 7.534 20.885 ( 2.535 0.000 -0.370) 2.562 21.431 ( -1.472 0.000 -0.235) 1.491 21.445 ( -1.229 0.000 -0.140) 1.237 24.336 ( -0.901 0.000 2.944) 3.078 24.634 ( -0.595 0.000 -1.279) 1.410 24.860 ( -1.055 0.000 2.394) 2.616 25.068 ( -0.805 0.000 -0.747) 1.098 32.014 ( -1.338 0.000 -0.286) 1.368 32.023 ( -2.458 0.000 -0.095) 2.460 32.324 ( -1.506 0.000 0.042) 1.506 32.338 ( -1.270 0.000 -0.116) 1.275 42.620 ( -7.160 0.000 -3.073) 7.791 42.662 ( 4.506 0.000 -1.513) 4.754 42.963 ( 3.427 0.000 5.662) 6.618 43.047 ( -6.491 0.000 9.544) 11.542 43.560 ( 6.884 0.000 4.444) 8.194 44.473 ( -11.369 0.000 -3.414) 11.871 44.491 ( 19.375 0.000 -6.338) 20.385 45.763 ( 13.908 0.000 -39.577) 41.950 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 13.115 0.000 12.903) 18.398 1.629 ( 22.422 0.000 8.106) 23.842 2.492 ( -1.839 0.000 6.525) 6.779 2.935 ( 3.920 0.000 -4.741) 6.151 3.128 ( 0.776 0.000 -5.041) 5.100 3.364 ( 5.998 0.000 0.792) 6.050 3.389 ( 17.522 0.000 7.121) 18.914 3.800 ( -6.303 0.000 -3.866) 7.394 3.907 ( -3.234 0.000 2.718) 4.225 4.012 ( 8.655 0.000 8.287) 11.983 4.303 ( -5.742 0.000 0.155) 5.744 4.493 ( 7.225 0.000 -3.834) 8.179 4.917 ( -7.223 0.000 -5.173) 8.885 5.181 ( 6.981 0.000 -2.332) 7.360 5.252 ( 13.219 0.000 -8.715) 15.833 5.253 ( -0.863 0.000 1.700) 1.907 5.543 ( 11.522 0.000 -3.657) 12.088 5.650 ( -3.993 0.000 -4.206) 5.800 5.710 ( 5.754 0.000 3.750) 6.868 5.802 ( -7.492 0.000 -1.650) 7.672 6.056 ( 4.111 0.000 1.503) 4.377 6.151 ( 6.441 0.000 8.917) 11.000 6.448 ( 5.108 0.000 5.544) 7.539 6.556 ( 0.867 0.000 -3.822) 3.919 6.837 ( 7.071 0.000 2.045) 7.361 6.898 ( -1.043 0.000 0.832) 1.334 6.956 ( 2.626 0.000 -0.723) 2.724 7.205 ( 4.527 0.000 -4.458) 6.354 7.507 ( 1.457 0.000 0.041) 1.457 7.592 ( 5.201 0.000 -3.175) 6.094 7.802 ( 1.833 0.000 6.447) 6.703 7.909 ( 7.750 0.000 1.285) 7.856 8.030 ( 6.384 0.000 2.931) 7.024 8.191 ( -7.183 0.000 5.658) 9.144 9.074 ( -16.027 0.000 -9.191) 18.475 9.183 ( -4.479 0.000 -2.578) 5.168 19.018 ( 1.438 0.000 -0.197) 1.451 19.048 ( 1.886 0.000 -0.393) 1.926 19.555 ( -0.244 0.000 0.500) 0.556 19.688 ( -0.471 0.000 -1.176) 1.267 20.929 ( 1.959 0.000 0.502) 2.023 21.007 ( 6.682 0.000 -0.333) 6.690 21.405 ( -1.122 0.000 -0.166) 1.135 21.427 ( -0.485 0.000 -0.232) 0.537 24.324 ( -0.354 0.000 2.225) 2.253 24.622 ( -0.586 0.000 -1.342) 1.464 24.847 ( -0.450 0.000 1.595) 1.657 25.053 ( -0.731 0.000 -0.874) 1.140 31.976 ( -2.198 0.000 -0.157) 2.203 31.991 ( -1.043 0.000 -0.622) 1.214 32.294 ( -1.523 0.000 0.064) 1.525 32.313 ( -1.223 0.000 -0.168) 1.234 42.476 ( -7.079 0.000 -0.082) 7.079 42.725 ( 2.159 0.000 -3.341) 3.978 42.924 ( -5.838 0.000 7.712) 9.673 43.062 ( 6.120 0.000 9.898) 11.638 43.662 ( 2.366 0.000 2.749) 3.627 44.269 ( -8.228 0.000 -1.021) 8.291 44.877 ( 19.845 0.000 -7.127) 21.086 45.876 ( -0.096 0.000 -24.649) 24.649 ======================= Grid point 103 (35/120) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 2.862 0.000 7.141) 7.693 2.010 ( 15.624 0.000 5.522) 16.571 2.505 ( 3.687 0.000 7.469) 8.329 2.990 ( 1.508 0.000 -2.383) 2.820 3.164 ( 2.971 0.000 -3.990) 4.974 3.465 ( -5.710 0.000 11.469) 12.812 3.488 ( 4.522 0.000 -4.871) 6.647 3.695 ( -0.705 0.000 -1.986) 2.108 3.907 ( 1.238 0.000 -0.325) 1.280 4.075 ( -8.832 0.000 -0.146) 8.833 4.262 ( 7.344 0.000 10.543) 12.849 4.708 ( 11.588 0.000 -5.829) 12.972 4.780 ( -7.019 0.000 1.272) 7.133 5.236 ( 0.264 0.000 -7.683) 7.687 5.256 ( 1.327 0.000 0.783) 1.541 5.422 ( 6.518 0.000 -3.318) 7.314 5.530 ( -7.185 0.000 -3.543) 8.011 5.692 ( -3.325 0.000 -1.148) 3.518 5.719 ( 7.007 0.000 -2.665) 7.497 5.851 ( 4.259 0.000 3.747) 5.673 6.120 ( 2.080 0.000 1.022) 2.318 6.301 ( 7.852 0.000 6.091) 9.937 6.518 ( -3.928 0.000 -0.289) 3.938 6.557 ( 5.459 0.000 7.128) 8.978 6.828 ( -4.820 0.000 0.393) 4.836 6.960 ( 5.126 0.000 -6.314) 8.133 7.135 ( 14.767 0.000 1.667) 14.861 7.293 ( 3.846 0.000 -4.231) 5.718 7.529 ( -0.198 0.000 -2.910) 2.916 7.659 ( 1.762 0.000 -3.620) 4.026 7.803 ( -0.515 0.000 7.565) 7.583 8.013 ( 3.109 0.000 -0.682) 3.183 8.047 ( -7.977 0.000 9.056) 12.068 8.181 ( 7.460 0.000 1.775) 7.669 8.775 ( -13.223 0.000 -7.790) 15.347 9.129 ( -1.416 0.000 -3.352) 3.639 19.041 ( 0.877 0.000 -0.188) 0.896 19.077 ( 1.066 0.000 -0.505) 1.179 19.553 ( -0.008 0.000 0.539) 0.539 19.681 ( -0.286 0.000 -0.999) 1.039 20.959 ( 1.073 0.000 0.902) 1.401 21.106 ( 3.357 0.000 -0.747) 3.439 21.389 ( -0.534 0.000 -0.026) 0.535 21.427 ( 0.436 0.000 -0.325) 0.544 24.320 ( -0.143 0.000 1.907) 1.913 24.613 ( -0.360 0.000 -1.386) 1.432 24.840 ( -0.198 0.000 1.294) 1.309 25.041 ( -0.420 0.000 -0.945) 1.034 31.942 ( -1.232 0.000 -0.151) 1.241 31.975 ( -0.587 0.000 -0.689) 0.905 32.269 ( -0.960 0.000 0.095) 0.964 32.293 ( -0.751 0.000 -0.196) 0.777 42.364 ( -4.200 0.000 1.788) 4.565 42.758 ( 1.413 0.000 -3.815) 4.068 42.832 ( -3.383 0.000 5.917) 6.816 43.173 ( 4.745 0.000 11.884) 12.796 43.631 ( -4.374 0.000 -0.599) 4.415 44.188 ( -0.755 0.000 2.902) 2.999 45.238 ( 16.809 0.000 -8.362) 18.774 45.802 ( -6.862 0.000 -17.656) 18.943 ======================= Grid point 104 (36/120) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 0.000 5.141) 5.141 2.175 ( 0.000 0.000 4.903) 4.903 2.562 ( 0.000 0.000 7.378) 7.378 3.000 ( 0.000 0.000 -2.554) 2.554 3.218 ( 0.000 0.000 -6.281) 6.281 3.363 ( 0.000 0.000 15.446) 15.446 3.500 ( 0.000 0.000 -4.384) 4.384 3.803 ( 0.000 0.000 -4.419) 4.419 3.882 ( 0.000 0.000 -1.120) 1.120 3.918 ( 0.000 0.000 -0.618) 0.618 4.377 ( 0.000 0.000 14.423) 14.423 4.685 ( 0.000 0.000 3.625) 3.625 4.831 ( 0.000 0.000 -6.236) 6.236 5.233 ( 0.000 0.000 -7.113) 7.113 5.284 ( 0.000 0.000 -0.317) 0.317 5.441 ( -0.000 0.000 -2.584) 2.584 5.497 ( -0.000 0.000 -5.729) 5.729 5.661 ( 0.000 0.000 -1.604) 1.604 5.807 ( 0.000 0.000 -0.803) 0.803 5.873 ( 0.000 0.000 4.577) 4.577 6.139 ( 0.000 0.000 1.319) 1.319 6.391 ( 0.000 0.000 10.173) 10.173 6.455 ( 0.000 0.000 -3.280) 3.280 6.623 ( 0.000 0.000 9.496) 9.496 6.766 ( 0.000 0.000 -2.408) 2.408 7.024 ( 0.000 0.000 -13.085) 13.085 7.333 ( 0.000 0.000 -4.577) 4.577 7.362 ( 0.000 0.000 1.194) 1.194 7.476 ( 0.000 0.000 -3.401) 3.401 7.674 ( 0.000 0.000 -3.374) 3.374 7.873 ( 0.000 0.000 4.530) 4.530 7.874 ( -0.000 0.000 16.099) 16.099 8.042 ( 0.000 0.000 -0.401) 0.401 8.260 ( 0.000 0.000 0.667) 0.667 8.634 ( 0.000 0.000 -6.677) 6.677 9.117 ( 0.000 0.000 -3.587) 3.587 19.050 ( 0.000 0.000 -0.192) 0.192 19.087 ( 0.000 0.000 -0.548) 0.548 19.553 ( 0.000 0.000 0.567) 0.567 19.678 ( 0.000 0.000 -0.920) 0.920 20.970 ( 0.000 0.000 1.018) 1.018 21.137 ( 0.000 0.000 -0.881) 0.881 21.384 ( 0.000 0.000 0.040) 0.040 21.434 ( 0.000 0.000 -0.393) 0.393 24.319 ( 0.000 0.000 1.816) 1.816 24.609 ( 0.000 0.000 -1.401) 1.401 24.839 ( 0.000 0.000 1.214) 1.214 25.037 ( 0.000 0.000 -0.966) 0.966 31.930 ( 0.000 0.000 -0.138) 0.138 31.969 ( 0.000 0.000 -0.690) 0.690 32.259 ( 0.000 0.000 0.109) 0.109 32.286 ( 0.000 0.000 -0.209) 0.209 42.322 ( 0.000 0.000 2.420) 2.420 42.774 ( 0.000 0.000 -3.797) 3.797 42.799 ( 0.000 0.000 5.244) 5.244 43.224 ( 0.000 0.000 12.571) 12.571 43.572 ( 0.000 0.000 -1.956) 1.956 44.189 ( 0.000 0.000 4.266) 4.266 45.457 ( 0.000 0.000 -8.449) 8.449 45.680 ( -0.000 0.000 -16.035) 16.035 ======================= Grid point 110 (37/120) ======================= q-point: ( 0.00 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 14.187 22.022) 26.196 0.810 ( 0.000 18.926 21.039) 28.299 1.445 ( 0.000 35.314 32.849) 48.230 2.773 ( 0.000 -3.543 -7.992) 8.742 3.007 ( 0.000 4.388 -11.123) 11.958 3.235 ( 0.000 -7.753 6.736) 10.271 3.316 ( 0.000 -2.403 1.725) 2.958 3.610 ( 0.000 7.325 1.493) 7.475 3.809 ( 0.000 1.622 -1.450) 2.175 4.196 ( 0.000 -4.063 0.599) 4.107 4.226 ( 0.000 -3.907 -2.598) 4.692 4.382 ( 0.000 3.155 -1.809) 3.637 4.385 ( 0.000 1.601 -0.956) 1.864 4.931 ( 0.000 -7.586 2.438) 7.968 4.939 ( 0.000 4.659 2.906) 5.491 5.337 ( 0.000 1.603 -3.904) 4.220 5.400 ( 0.000 -0.801 -6.390) 6.440 5.446 ( 0.000 -1.884 4.843) 5.197 5.610 ( 0.000 9.909 -9.050) 13.419 5.869 ( 0.000 -0.962 -2.746) 2.910 5.927 ( 0.000 -4.966 -6.950) 8.541 6.194 ( 0.000 -4.505 -0.443) 4.527 6.218 ( 0.000 -3.663 6.373) 7.351 6.439 ( 0.000 7.921 -5.552) 9.673 6.530 ( 0.000 4.667 0.777) 4.731 6.791 ( 0.000 9.255 -8.710) 12.709 7.110 ( 0.000 -1.540 -2.536) 2.966 7.281 ( 0.000 3.434 0.698) 3.505 7.406 ( 0.000 -2.142 -0.763) 2.273 7.411 ( 0.000 8.004 2.010) 8.252 7.718 ( 0.000 -1.739 -1.405) 2.236 7.747 ( 0.000 -2.888 17.998) 18.228 7.786 ( 0.000 0.460 -2.086) 2.136 8.373 ( 0.000 2.611 -1.930) 3.247 9.271 ( 0.000 -15.304 7.707) 17.135 9.688 ( 0.000 -10.020 -0.377) 10.027 18.933 ( 0.000 0.080 0.107) 0.133 18.957 ( 0.000 -0.060 -0.157) 0.169 19.599 ( 0.000 0.745 0.010) 0.745 19.729 ( 0.000 0.081 -0.433) 0.440 20.686 ( 0.000 -0.079 0.428) 0.436 20.765 ( 0.000 -0.063 -0.423) 0.427 21.467 ( 0.000 -0.602 0.273) 0.661 21.519 ( 0.000 1.561 -1.604) 2.238 24.367 ( 0.000 -2.604 3.899) 4.689 24.656 ( 0.000 0.242 -1.737) 1.754 24.902 ( 0.000 -3.180 3.962) 5.080 25.110 ( 0.000 0.266 -1.394) 1.420 32.056 ( 0.000 -0.515 0.817) 0.966 32.095 ( 0.000 0.142 -0.299) 0.331 32.357 ( 0.000 0.281 -0.419) 0.505 32.415 ( 0.000 1.525 -0.034) 1.525 42.402 ( 0.000 -4.301 0.418) 4.321 42.557 ( 0.000 2.311 -1.647) 2.838 42.887 ( 0.000 -1.055 0.512) 1.173 43.144 ( 0.000 1.307 4.568) 4.752 43.386 ( 0.000 0.234 5.037) 5.042 44.171 ( 0.000 1.833 -3.865) 4.278 44.750 ( 0.000 13.846 -9.113) 16.576 45.235 ( 0.000 45.383 -49.861) 67.421 ======================= Grid point 111 (38/120) ======================= q-point: ( 0.10 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 13.025 14.377 18.161) 26.573 1.082 ( 21.708 15.929 14.659) 30.657 1.774 ( 32.867 23.903 25.402) 47.925 2.782 ( 0.204 -3.204 -6.769) 7.492 2.964 ( -1.438 2.847 -8.684) 9.251 3.171 ( -3.270 -5.482 5.452) 8.395 3.384 ( 1.925 2.332 1.931) 3.588 3.606 ( 2.699 4.020 2.513) 5.455 3.956 ( 8.392 -5.287 -3.040) 10.374 4.091 ( -1.333 -2.664 1.654) 3.408 4.275 ( -1.782 4.513 -1.871) 5.200 4.348 ( 4.000 -0.165 -1.072) 4.145 4.538 ( 8.109 -0.774 -4.234) 9.181 4.900 ( 0.130 -5.076 4.740) 6.946 5.047 ( 7.120 -0.021 0.833) 7.169 5.309 ( -2.924 0.199 -6.401) 7.040 5.392 ( -0.681 8.372 -0.287) 8.404 5.486 ( 6.471 -1.747 -2.533) 7.165 5.691 ( 4.148 0.796 -1.745) 4.570 5.854 ( -0.906 -0.981 -4.871) 5.051 5.985 ( 4.708 -1.894 -4.151) 6.557 6.143 ( -2.386 -1.540 -0.496) 2.883 6.320 ( 6.040 -3.216 2.098) 7.157 6.445 ( -0.441 5.532 -2.705) 6.173 6.556 ( 3.546 0.549 1.074) 3.746 6.803 ( 2.020 5.882 -5.860) 8.545 7.066 ( -1.935 0.698 -4.651) 5.086 7.227 ( -5.796 5.202 -1.992) 8.039 7.392 ( 3.174 0.577 0.912) 3.353 7.540 ( 5.255 5.199 1.933) 7.641 7.637 ( -3.354 -4.316 12.816) 13.933 7.729 ( -0.869 1.737 3.202) 3.745 7.839 ( 5.414 -0.360 5.687) 7.860 8.383 ( -0.970 0.669 -0.692) 1.366 9.224 ( -5.044 -14.079 2.104) 15.103 9.614 ( -6.631 -4.775 -3.795) 9.009 18.947 ( 1.107 -0.413 0.051) 1.183 18.984 ( 2.282 0.431 -0.603) 2.400 19.585 ( -1.026 0.698 0.417) 1.309 19.708 ( -1.361 -0.158 -0.493) 1.456 20.743 ( 4.882 0.389 0.159) 4.900 20.814 ( 4.106 -1.098 -0.983) 4.362 21.445 ( -1.904 -0.749 0.346) 2.075 21.491 ( -2.040 1.072 -0.534) 2.365 24.350 ( -1.166 -1.164 3.596) 3.955 24.648 ( -0.641 0.185 -1.458) 1.604 24.880 ( -1.478 -1.116 3.288) 3.774 25.093 ( -1.224 0.507 -0.918) 1.612 32.039 ( -1.385 -0.110 0.534) 1.488 32.071 ( -2.017 0.338 -0.104) 2.048 32.349 ( -0.842 0.261 -0.417) 0.975 32.390 ( -1.907 1.757 0.346) 2.616 42.489 ( 4.252 -6.530 -0.260) 7.796 42.611 ( 2.474 -6.444 -2.772) 7.438 42.893 ( 0.981 -0.043 2.192) 2.402 43.142 ( -1.414 -0.025 6.586) 6.736 43.445 ( 5.716 0.984 5.028) 7.676 44.193 ( 3.476 -0.133 -4.404) 5.612 44.757 ( -0.820 11.528 -5.772) 12.918 45.543 ( 22.147 22.312 -49.801) 58.894 ======================= Grid point 112 (39/120) ======================= q-point: ( 0.20 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 18.056 8.531 13.317) 24.003 1.476 ( 20.100 19.663 11.979) 30.564 2.396 ( 18.166 4.549 11.808) 22.139 2.815 ( 8.130 -0.918 -1.698) 8.356 3.029 ( 8.822 3.653 -6.713) 11.672 3.137 ( 0.197 -1.930 2.763) 3.376 3.391 ( 1.945 8.936 -0.572) 9.163 3.735 ( 8.211 -1.965 6.368) 10.575 3.933 ( -3.619 -4.648 0.767) 5.940 4.089 ( -3.943 4.930 -3.101) 7.034 4.320 ( 1.891 -3.083 -0.260) 3.626 4.426 ( 1.899 0.502 0.231) 1.978 4.783 ( 20.747 0.135 -5.430) 21.446 4.953 ( 3.890 -5.224 -2.760) 7.074 5.137 ( 0.763 1.121 -0.586) 1.477 5.251 ( -0.518 -1.389 -1.704) 2.259 5.440 ( 4.430 7.724 -2.773) 9.326 5.567 ( 0.346 -4.358 -1.940) 4.783 5.778 ( 5.562 2.412 2.553) 6.578 5.844 ( -0.381 -0.181 -3.814) 3.837 6.056 ( 1.592 1.797 3.115) 3.933 6.119 ( 0.881 3.544 -1.277) 3.869 6.365 ( 0.831 -0.018 0.059) 0.833 6.498 ( 5.131 0.025 -0.749) 5.186 6.650 ( 5.343 -4.683 0.589) 7.129 6.857 ( 2.614 1.183 0.730) 2.961 7.031 ( -2.644 4.099 -3.310) 5.895 7.183 ( 1.884 4.338 -5.809) 7.491 7.426 ( 0.472 -3.075 1.960) 3.676 7.549 ( 0.893 1.077 4.889) 5.085 7.707 ( 5.835 -1.167 7.227) 9.361 7.786 ( 6.255 2.536 3.852) 7.771 7.944 ( 5.132 1.139 2.607) 5.868 8.317 ( -5.361 0.047 2.538) 5.931 9.087 ( -8.570 -12.370 -3.190) 15.383 9.458 ( -9.009 0.759 -6.605) 11.196 18.972 ( 1.503 -0.718 0.115) 1.670 19.029 ( 2.201 1.153 -0.664) 2.572 19.568 ( -0.723 0.405 0.484) 0.960 19.689 ( -0.638 -0.768 -0.928) 1.363 20.846 ( 4.897 -0.976 0.304) 5.003 20.903 ( 5.312 0.887 -0.688) 5.429 21.412 ( -1.241 -1.286 0.160) 1.795 21.453 ( -1.850 0.273 -0.146) 1.876 24.333 ( -0.616 -0.246 2.732) 2.812 24.635 ( -0.692 0.024 -1.333) 1.502 24.859 ( -0.777 -0.066 2.125) 2.264 25.071 ( -1.016 0.216 -0.832) 1.331 32.011 ( -1.408 -0.046 -0.069) 1.410 32.026 ( -2.461 0.235 -0.127) 2.476 32.327 ( -1.292 0.298 -0.355) 1.373 32.353 ( -1.904 1.220 0.255) 2.275 42.498 ( -3.775 -7.370 -1.074) 8.350 42.638 ( 1.631 -6.758 -1.556) 7.124 42.927 ( 1.813 -0.404 5.663) 5.960 43.089 ( -2.517 2.298 7.495) 8.233 43.578 ( 7.020 1.919 5.019) 8.840 44.229 ( -2.287 -10.679 -3.491) 11.466 44.801 ( 7.898 17.488 -6.003) 20.106 45.851 ( 9.091 6.624 -34.335) 36.131 ======================= Grid point 113 (40/120) ======================= q-point: ( 0.30 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 12.988 4.291 10.362) 17.160 1.867 ( 19.786 19.465 7.656) 28.792 2.456 ( -1.322 -2.421 6.667) 7.216 2.987 ( 5.061 3.841 -3.432) 7.221 3.117 ( 1.612 -1.834 -0.893) 2.600 3.307 ( 9.823 0.171 0.629) 9.845 3.507 ( 6.263 8.940 -0.776) 10.943 3.812 ( -1.587 -1.979 4.933) 5.547 3.916 ( 2.037 1.422 0.465) 2.528 4.073 ( 4.723 6.330 1.356) 8.014 4.307 ( -2.509 -0.179 1.010) 2.710 4.462 ( 5.019 -1.526 -0.782) 5.304 4.942 ( -3.847 0.790 -5.009) 6.365 5.076 ( 1.670 -4.421 2.064) 5.157 5.211 ( 7.215 -2.288 -6.154) 9.755 5.343 ( 10.003 0.638 -3.479) 10.610 5.515 ( 2.028 -2.358 -4.310) 5.315 5.573 ( 3.298 -0.445 -2.472) 4.146 5.798 ( -1.695 3.141 -3.392) 4.924 5.864 ( 0.889 5.615 2.616) 6.258 6.095 ( 4.211 4.118 3.361) 6.781 6.196 ( 6.012 3.438 6.096) 9.227 6.413 ( 3.620 -2.488 0.506) 4.421 6.569 ( 1.480 0.878 2.033) 2.664 6.765 ( 6.442 -4.806 1.572) 8.189 6.905 ( 2.650 0.423 -1.445) 3.048 6.988 ( -0.874 1.655 0.532) 1.946 7.229 ( 2.499 1.857 -3.325) 4.556 7.441 ( 1.503 -4.834 1.005) 5.161 7.613 ( 4.271 -0.656 0.617) 4.365 7.800 ( 2.497 1.008 2.124) 3.430 7.929 ( 7.351 1.477 1.225) 7.597 8.038 ( 5.328 0.684 2.935) 6.121 8.199 ( -6.128 0.958 5.273) 8.141 8.906 ( -9.943 -9.801 -5.914) 15.162 9.286 ( -7.900 3.683 -5.859) 10.503 19.002 ( 1.442 -0.904 0.107) 1.705 19.066 ( 1.582 1.117 -0.595) 2.026 19.558 ( -0.346 0.211 0.441) 0.599 19.682 ( -0.094 -0.546 -1.066) 1.202 20.917 ( 2.705 -1.032 0.599) 2.957 21.013 ( 5.276 0.528 -0.519) 5.328 21.399 ( -0.291 -0.588 -0.169) 0.678 21.424 ( -0.750 -0.245 -0.023) 0.789 24.324 ( -0.287 -0.011 2.161) 2.180 24.622 ( -0.598 -0.034 -1.353) 1.480 24.848 ( -0.414 0.114 1.521) 1.581 25.053 ( -0.786 0.065 -0.900) 1.196 31.977 ( -2.136 0.086 -0.130) 2.142 31.991 ( -1.113 -0.015 -0.468) 1.208 32.301 ( -1.398 0.544 -0.174) 1.510 32.319 ( -1.544 0.580 0.042) 1.650 42.393 ( -5.902 -6.677 0.300) 8.916 42.665 ( 1.019 -7.035 -2.373) 7.494 42.902 ( -3.983 -0.990 6.121) 7.370 43.122 ( 5.323 4.409 9.163) 11.477 43.667 ( 0.590 0.760 2.753) 2.916 44.140 ( -3.945 -9.600 0.283) 10.383 45.048 ( 15.671 14.302 -7.370) 22.459 45.926 ( -0.517 4.171 -22.939) 23.321 ======================= Grid point 114 (41/120) ======================= q-point: ( 0.40 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 2.149 1.726 8.089) 8.546 2.211 ( 14.327 17.617 4.373) 23.125 2.510 ( 6.787 1.387 7.848) 10.468 3.024 ( -0.305 2.572 -2.995) 3.959 3.156 ( 1.544 -3.530 2.030) 4.355 3.376 ( -3.905 0.399 -1.576) 4.230 3.574 ( 5.339 6.355 -2.757) 8.746 3.755 ( -1.595 2.457 4.021) 4.974 3.957 ( -0.055 4.440 -3.076) 5.401 4.096 ( -5.899 1.479 2.100) 6.434 4.329 ( 7.810 5.253 7.841) 12.250 4.639 ( 9.380 -4.550 -3.776) 11.088 4.821 ( -7.509 3.436 1.936) 8.481 5.091 ( 0.572 -9.244 2.091) 9.495 5.261 ( 0.073 -0.046 -3.253) 3.254 5.451 ( 0.512 0.764 -7.333) 7.390 5.553 ( 2.064 -3.050 -6.175) 7.190 5.661 ( 5.134 2.504 -2.970) 6.438 5.796 ( 0.667 3.279 -1.566) 3.695 5.890 ( 2.137 5.929 4.121) 7.530 6.162 ( 1.408 3.149 0.103) 3.450 6.331 ( 6.729 3.148 5.739) 9.387 6.473 ( 0.747 -2.669 0.579) 2.831 6.583 ( 1.740 1.709 8.225) 8.579 6.807 ( -3.184 -1.993 -1.206) 3.945 6.951 ( 4.243 -1.107 -5.923) 7.370 7.114 ( 12.753 -2.030 1.618) 13.015 7.288 ( 3.070 -0.909 -3.384) 4.659 7.476 ( 1.538 -4.267 -0.244) 4.542 7.668 ( -0.312 -1.436 -1.110) 1.841 7.782 ( -1.387 -0.244 4.168) 4.399 8.004 ( -1.232 -0.416 1.687) 2.129 8.094 ( -3.225 3.226 5.131) 6.865 8.182 ( 7.299 0.096 1.816) 7.522 8.716 ( -8.600 -3.692 -6.577) 11.439 9.176 ( -3.352 3.024 -4.497) 6.372 19.025 ( 0.873 -1.033 0.055) 1.354 19.089 ( 0.788 0.678 -0.556) 1.179 19.554 ( -0.090 0.049 0.475) 0.486 19.683 ( 0.094 0.166 -1.047) 1.064 20.956 ( 1.306 -0.401 0.877) 1.623 21.089 ( 2.502 -1.277 -0.611) 2.875 21.389 ( -0.559 -0.083 -0.065) 0.569 21.432 ( 1.042 0.324 -0.298) 1.132 24.320 ( -0.121 0.060 1.886) 1.891 24.613 ( -0.353 -0.027 -1.386) 1.431 24.842 ( -0.197 0.134 1.268) 1.290 25.041 ( -0.432 0.024 -0.950) 1.044 31.943 ( -1.244 0.080 -0.129) 1.253 31.975 ( -0.564 -0.039 -0.606) 0.829 32.277 ( -0.967 0.711 0.005) 1.201 32.295 ( -0.822 0.224 -0.125) 0.861 42.296 ( -3.740 -5.823 1.585) 7.100 42.683 ( 0.895 -7.880 -2.790) 8.407 42.826 ( -3.168 -0.525 4.897) 5.856 43.235 ( 5.547 5.193 10.688) 13.113 43.590 ( -6.622 -3.616 -0.742) 7.581 44.128 ( 1.568 -4.485 4.797) 6.752 45.354 ( 14.954 10.456 -8.735) 20.230 45.854 ( -6.452 4.718 -17.008) 18.793 ======================= Grid point 115 (42/120) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 0.000 0.975 7.278) 7.343 2.361 ( 0.000 15.720 3.891) 16.194 2.613 ( 0.000 6.714 7.090) 9.765 3.010 ( 0.000 0.248 -1.821) 1.838 3.160 ( -0.000 -11.812 6.794) 13.626 3.313 ( 0.000 9.107 -5.928) 10.867 3.624 ( 0.000 3.411 -0.405) 3.435 3.827 ( -0.000 2.485 -3.597) 4.371 3.877 ( 0.000 6.211 2.326) 6.632 4.017 ( 0.000 3.269 -1.369) 3.544 4.470 ( -0.000 8.067 11.282) 13.870 4.656 ( 0.000 -3.041 3.435) 4.588 4.777 ( 0.000 -3.731 -2.848) 4.693 5.098 ( 0.000 -10.105 1.356) 10.195 5.257 ( 0.000 1.266 -3.405) 3.633 5.439 ( 0.000 0.701 -7.281) 7.315 5.574 ( 0.000 -2.730 -5.678) 6.300 5.748 ( -0.000 9.316 -2.904) 9.758 5.784 ( 0.000 -1.559 -0.923) 1.811 5.925 ( 0.000 6.711 2.988) 7.346 6.166 ( 0.000 1.497 0.138) 1.504 6.409 ( 0.000 2.445 10.522) 10.803 6.450 ( 0.000 0.023 -2.535) 2.535 6.618 ( 0.000 -0.235 9.932) 9.935 6.756 ( 0.000 -1.149 -2.564) 2.810 7.010 ( 0.000 -1.417 -11.877) 11.961 7.311 ( -0.000 -1.894 -5.035) 5.380 7.323 ( 0.000 -4.218 1.270) 4.405 7.469 ( 0.000 -1.177 -2.624) 2.876 7.617 ( 0.000 -5.411 2.120) 5.812 7.860 ( 0.000 -1.204 4.734) 4.885 7.879 ( -0.000 1.663 8.962) 9.115 8.083 ( 0.000 2.259 1.115) 2.519 8.262 ( 0.000 0.080 0.389) 0.397 8.625 ( 0.000 0.378 -6.163) 6.174 9.146 ( 0.000 2.155 -4.165) 4.690 19.034 ( 0.000 -1.089 0.026) 1.089 19.096 ( 0.000 0.451 -0.541) 0.704 19.553 ( 0.000 -0.019 0.502) 0.503 19.684 ( 0.000 0.529 -1.026) 1.154 20.968 ( 0.000 -0.203 0.967) 0.988 21.113 ( 0.000 -1.981 -0.646) 2.083 21.383 ( 0.000 -0.135 0.023) 0.137 21.445 ( 0.000 0.850 -0.462) 0.968 24.319 ( 0.000 0.079 1.804) 1.806 24.609 ( 0.000 -0.018 -1.399) 1.399 24.840 ( 0.000 0.133 1.198) 1.205 25.037 ( 0.000 0.017 -0.966) 0.966 31.930 ( 0.000 0.065 -0.123) 0.139 31.969 ( 0.000 -0.025 -0.634) 0.635 32.267 ( -0.000 0.716 0.054) 0.718 32.287 ( 0.000 0.165 -0.166) 0.235 42.258 ( 0.000 -5.529 2.048) 5.896 42.694 ( 0.000 -8.292 -2.966) 8.807 42.793 ( 0.000 -0.509 4.569) 4.597 43.303 ( 0.000 7.618 12.016) 14.228 43.503 ( -0.000 -6.972 -2.469) 7.396 44.149 ( 0.000 -2.908 5.909) 6.586 45.556 ( 0.000 8.893 -8.800) 12.511 45.736 ( -0.000 5.332 -15.665) 16.548 ======================= Grid point 121 (43/120) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 18.814 14.035) 23.472 1.234 ( 0.000 22.546 13.048) 26.050 2.122 ( 0.000 28.757 16.100) 32.957 2.623 ( 0.000 -11.834 -3.747) 12.413 3.060 ( 0.000 -1.925 2.839) 3.430 3.207 ( 0.000 8.802 -6.691) 11.056 3.315 ( 0.000 2.200 -2.053) 3.009 3.705 ( 0.000 3.114 1.062) 3.290 3.814 ( 0.000 -1.017 -5.599) 5.691 4.103 ( 0.000 -4.804 3.842) 6.151 4.185 ( 0.000 -0.372 0.066) 0.378 4.381 ( 0.000 -1.746 1.204) 2.121 4.440 ( 0.000 1.956 -6.359) 6.653 4.846 ( 0.000 -2.408 0.371) 2.436 5.062 ( 0.000 7.151 1.971) 7.418 5.345 ( 0.000 -4.109 -5.265) 6.678 5.363 ( 0.000 0.294 -1.852) 1.875 5.415 ( 0.000 -0.315 3.752) 3.765 5.706 ( 0.000 -0.569 -2.146) 2.220 5.844 ( 0.000 -1.578 -1.467) 2.155 5.906 ( 0.000 3.989 -5.403) 6.716 6.130 ( 0.000 -1.844 -8.782) 8.974 6.158 ( 0.000 -2.353 5.387) 5.878 6.607 ( 0.000 8.987 -2.790) 9.410 6.619 ( 0.000 4.118 -0.078) 4.118 6.935 ( 0.000 5.715 -9.289) 10.906 7.105 ( 0.000 0.070 0.144) 0.160 7.333 ( 0.000 -1.920 -1.616) 2.510 7.381 ( 0.000 3.057 0.409) 3.085 7.494 ( 0.000 0.094 12.368) 12.369 7.682 ( 0.000 -1.693 -0.554) 1.781 7.705 ( 0.000 0.175 15.811) 15.812 7.790 ( 0.000 -0.173 -1.794) 1.803 8.414 ( 0.000 1.119 -0.658) 1.298 9.028 ( 0.000 -9.610 -0.173) 9.612 9.466 ( 0.000 -12.674 -2.837) 12.988 18.935 ( 0.000 0.112 0.086) 0.141 18.955 ( 0.000 -0.088 -0.140) 0.166 19.603 ( 0.000 -0.086 0.486) 0.493 19.736 ( 0.000 0.494 -0.656) 0.821 20.684 ( 0.000 -0.111 0.429) 0.443 20.763 ( 0.000 -0.089 -0.426) 0.436 21.453 ( 0.000 -0.699 0.537) 0.881 21.529 ( 0.000 -0.218 -0.663) 0.698 24.337 ( 0.000 -0.763 2.978) 3.074 24.655 ( 0.000 -0.270 -1.591) 1.614 24.874 ( 0.000 -0.455 2.362) 2.406 25.106 ( 0.000 -0.482 -1.129) 1.228 32.056 ( 0.000 0.379 0.489) 0.619 32.097 ( 0.000 0.047 0.053) 0.071 32.365 ( 0.000 0.453 -0.423) 0.620 32.430 ( 0.000 0.216 0.697) 0.730 42.319 ( 0.000 -3.926 0.914) 4.031 42.591 ( 0.000 1.197 -2.730) 2.981 42.872 ( 0.000 -0.544 2.404) 2.465 43.152 ( 0.000 0.188 5.673) 5.676 43.392 ( 0.000 0.333 5.692) 5.702 44.215 ( 0.000 2.505 -3.924) 4.656 45.016 ( 0.000 14.674 -6.685) 16.125 45.710 ( 0.000 8.532 -33.428) 34.500 ======================= Grid point 122 (44/120) ======================= q-point: ( 0.10 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 9.912 19.362 10.869) 24.316 1.397 ( 21.868 16.935 10.084) 29.440 2.265 ( 13.357 18.304 13.968) 26.619 2.697 ( 6.735 -3.799 -1.651) 7.907 3.035 ( -0.708 0.418 1.214) 1.466 3.128 ( -3.537 5.485 -3.901) 7.604 3.444 ( 8.907 3.789 -1.061) 9.737 3.666 ( -2.402 3.570 0.139) 4.305 3.848 ( 0.907 -4.647 -3.473) 5.872 4.067 ( 3.852 -0.702 4.012) 5.606 4.284 ( 2.381 -1.647 0.184) 2.901 4.399 ( 1.525 2.713 -5.865) 6.640 4.511 ( 8.943 -1.708 -2.260) 9.381 4.843 ( 0.381 -1.625 0.276) 1.692 5.097 ( 2.633 4.528 3.897) 6.529 5.285 ( -2.937 -2.198 -4.326) 5.672 5.437 ( 3.044 -2.531 -0.896) 4.059 5.489 ( 7.113 1.881 1.157) 7.448 5.709 ( 0.928 0.141 -2.401) 2.578 5.872 ( 2.130 2.002 -4.552) 5.410 5.954 ( 4.793 0.336 -0.981) 4.904 6.117 ( 0.774 -0.902 -3.129) 3.348 6.246 ( 6.440 -3.499 -0.425) 7.342 6.572 ( -4.225 7.052 -1.375) 8.335 6.620 ( 0.630 4.704 0.523) 4.775 6.901 ( -2.436 4.111 -2.625) 5.452 7.083 ( 0.412 0.513 -6.414) 6.447 7.279 ( -3.993 -0.140 -1.299) 4.202 7.408 ( 1.869 1.709 0.153) 2.537 7.517 ( -2.528 -6.418 13.970) 15.580 7.659 ( 2.411 4.772 7.662) 9.343 7.759 ( 2.054 1.564 -0.078) 2.583 7.842 ( 6.831 0.851 3.841) 7.883 8.393 ( -2.504 -0.002 0.685) 2.596 8.992 ( -3.816 -9.211 -2.215) 10.214 9.442 ( -2.376 -11.627 -4.488) 12.688 18.944 ( 0.866 0.029 0.154) 0.880 18.986 ( 2.803 -0.047 -0.472) 2.843 19.593 ( -0.949 0.047 0.515) 1.081 19.712 ( -1.983 0.454 -0.534) 2.103 20.748 ( 5.289 0.121 0.022) 5.290 20.795 ( 3.562 -0.799 -0.395) 3.672 21.430 ( -2.131 -0.716 0.612) 2.330 21.500 ( -2.399 0.013 -0.296) 2.418 24.334 ( -0.283 -0.512 2.764) 2.825 24.648 ( -0.614 -0.178 -1.492) 1.623 24.868 ( -0.451 -0.194 2.116) 2.172 25.095 ( -1.008 -0.213 -1.027) 1.455 32.043 ( -1.201 0.467 0.386) 1.345 32.076 ( -1.939 0.181 0.078) 1.949 32.356 ( -0.884 0.422 -0.392) 1.055 32.412 ( -1.656 0.542 0.559) 1.831 42.366 ( 3.530 -5.530 0.891) 6.621 42.538 ( -4.412 -1.513 -1.782) 4.993 42.898 ( 2.061 -0.090 2.872) 3.536 43.134 ( -1.808 -0.734 5.487) 5.823 43.468 ( 7.079 1.161 6.085) 9.407 44.188 ( -3.115 0.496 -3.677) 4.845 45.039 ( 2.761 15.903 -6.610) 17.442 45.798 ( 7.579 4.629 -30.980) 32.228 ======================= Grid point 123 (45/120) ======================= q-point: ( 0.20 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 12.489 15.840 9.712) 22.387 1.841 ( 21.927 16.157 5.760) 27.839 2.450 ( 1.555 -0.723 7.579) 7.771 2.878 ( 11.099 6.032 2.542) 12.886 3.066 ( 2.061 -1.712 1.845) 3.252 3.176 ( 10.069 7.159 -5.051) 13.347 3.558 ( 3.556 4.789 0.312) 5.973 3.718 ( 6.883 5.114 1.571) 8.717 3.861 ( 2.710 -2.108 1.501) 3.747 4.166 ( 1.828 1.475 -0.492) 2.400 4.289 ( 0.397 0.569 -2.451) 2.547 4.426 ( 1.295 -0.397 -0.348) 1.398 4.777 ( 16.906 -1.942 -7.072) 18.429 4.878 ( 3.536 -1.837 -1.954) 4.438 5.147 ( 2.621 0.483 5.194) 5.837 5.224 ( -3.512 -1.520 -3.206) 4.993 5.486 ( 2.173 -2.513 0.284) 3.335 5.589 ( 1.655 5.554 -1.927) 6.107 5.778 ( 6.820 0.123 -1.126) 6.914 5.912 ( 1.620 4.430 -3.821) 6.070 6.054 ( 4.396 -1.481 4.226) 6.275 6.175 ( 5.196 2.112 -1.951) 5.938 6.355 ( 2.781 -3.048 -3.538) 5.435 6.500 ( 0.343 4.015 1.862) 4.440 6.649 ( 2.461 2.936 1.219) 4.020 6.880 ( 0.022 0.786 2.335) 2.464 7.085 ( -2.419 1.397 -5.324) 6.013 7.251 ( 1.567 1.149 -5.353) 5.695 7.370 ( -4.575 -1.932 5.679) 7.544 7.501 ( 2.210 -4.352 7.304) 8.785 7.709 ( 4.027 0.417 3.620) 5.431 7.862 ( 6.877 4.491 4.098) 9.179 7.975 ( 5.539 2.122 0.626) 5.965 8.316 ( -4.883 -0.145 2.555) 5.513 8.888 ( -6.402 -7.405 -4.382) 10.724 9.376 ( -4.393 -8.302 -6.512) 11.429 18.966 ( 1.334 -0.042 0.277) 1.363 19.044 ( 2.688 0.416 -0.770) 2.827 19.573 ( -0.897 0.081 0.468) 1.015 19.678 ( -1.157 -0.203 -0.599) 1.319 20.832 ( 3.651 -0.453 0.314) 3.693 20.910 ( 6.974 -0.118 -0.881) 7.031 21.389 ( -1.514 -0.938 0.632) 1.890 21.453 ( -2.285 -0.163 -0.001) 2.290 24.328 ( -0.259 -0.174 2.354) 2.374 24.634 ( -0.728 -0.100 -1.389) 1.571 24.859 ( -0.482 0.092 1.681) 1.751 25.073 ( -1.090 -0.011 -0.947) 1.444 32.016 ( -1.538 0.441 0.091) 1.603 32.031 ( -2.540 0.201 0.030) 2.548 32.334 ( -1.266 0.357 -0.325) 1.355 32.374 ( -2.159 0.778 0.293) 2.314 42.374 ( -4.079 -5.242 0.071) 6.643 42.485 ( 0.041 -6.867 -0.497) 6.886 42.933 ( 0.624 0.333 4.217) 4.276 43.100 ( -0.343 -1.491 5.598) 5.803 43.629 ( 8.392 2.910 6.615) 11.074 44.085 ( -7.142 -3.919 -2.270) 8.457 45.144 ( 8.312 17.260 -7.155) 20.449 45.937 ( 5.551 1.227 -24.946) 25.585 ======================= Grid point 124 (46/120) ======================= q-point: ( 0.30 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 8.488 10.662 9.325) 16.513 2.245 ( 19.346 16.277 4.329) 25.650 2.428 ( 0.475 -0.298 6.393) 6.417 3.049 ( 4.604 1.578 -2.167) 5.328 3.094 ( 2.194 1.457 3.068) 4.043 3.370 ( 7.358 3.863 -5.752) 10.106 3.659 ( 4.685 3.124 0.686) 5.673 3.798 ( 2.578 3.732 5.331) 7.000 3.950 ( 2.146 4.030 3.085) 5.510 4.183 ( 2.155 3.176 -6.786) 7.796 4.293 ( 0.571 -0.290 2.413) 2.497 4.490 ( 5.852 3.598 1.066) 6.952 4.894 ( 1.028 -3.700 -3.133) 4.956 5.066 ( 0.703 0.154 -2.315) 2.424 5.168 ( 2.946 -1.655 -0.533) 3.421 5.242 ( 7.643 -7.150 -1.174) 10.531 5.530 ( 2.802 2.347 -2.615) 4.494 5.619 ( 2.733 4.048 -4.667) 6.756 5.861 ( 0.388 3.366 -1.959) 3.913 5.953 ( 3.427 3.569 0.535) 4.977 6.170 ( 7.742 1.642 4.683) 9.196 6.251 ( 3.017 2.996 2.744) 5.060 6.400 ( 3.509 0.982 -4.928) 6.129 6.577 ( 4.645 0.447 3.241) 5.682 6.710 ( 3.271 -0.174 3.539) 4.823 6.904 ( 2.735 -0.976 0.054) 2.905 7.009 ( -4.048 0.699 -0.455) 4.133 7.238 ( -1.859 -2.133 1.167) 3.061 7.352 ( 1.882 -3.128 0.586) 3.697 7.562 ( 3.282 -3.739 5.005) 7.057 7.826 ( 5.455 0.823 -2.533) 6.070 7.951 ( 0.633 0.385 0.016) 0.741 8.055 ( 5.425 1.114 3.729) 6.677 8.233 ( -3.662 2.573 3.248) 5.530 8.769 ( -5.272 -3.718 -5.034) 8.183 9.281 ( -5.009 -3.948 -6.436) 9.061 18.992 ( 1.283 -0.126 0.341) 1.334 19.082 ( 1.265 0.579 -0.696) 1.555 19.560 ( -0.525 -0.061 0.397) 0.661 19.671 ( 0.385 -0.467 -0.873) 1.062 20.897 ( 2.983 -0.893 0.646) 3.180 21.022 ( 4.134 0.374 -0.878) 4.243 21.385 ( 0.896 -0.751 0.092) 1.172 21.417 ( -1.173 -0.487 0.244) 1.293 24.324 ( -0.159 0.007 2.025) 2.032 24.621 ( -0.590 -0.070 -1.372) 1.495 24.851 ( -0.366 0.181 1.371) 1.430 25.054 ( -0.827 0.020 -0.946) 1.257 31.980 ( -2.190 0.208 -0.032) 2.200 31.992 ( -1.237 0.166 -0.239) 1.271 32.310 ( -1.168 0.377 -0.248) 1.252 32.333 ( -1.934 0.755 0.114) 2.079 42.270 ( -5.519 -5.257 0.495) 7.638 42.487 ( -0.240 -9.719 -1.088) 9.783 42.891 ( -4.104 -0.283 3.815) 5.610 43.159 ( 5.406 -1.680 6.438) 8.573 43.710 ( -2.984 4.025 3.664) 6.207 43.990 ( 0.614 -5.081 3.807) 6.379 45.349 ( 12.115 15.529 -8.265) 21.360 45.994 ( 0.300 1.946 -19.294) 19.394 ======================= Grid point 125 (47/120) ======================= q-point: ( 0.40 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.226 7.077 10.681) 12.815 2.482 ( 7.170 5.839 4.246) 10.175 2.631 ( 16.913 10.421 4.814) 20.440 3.049 ( -2.152 -0.111 -2.907) 3.618 3.123 ( -2.550 4.752 2.528) 5.956 3.475 ( 4.026 6.082 -5.568) 9.176 3.689 ( -1.428 3.690 1.288) 4.161 3.829 ( 2.540 6.169 3.109) 7.360 3.983 ( 1.774 -0.323 -0.934) 2.031 4.140 ( -6.081 2.579 -0.623) 6.634 4.383 ( 8.280 -0.392 3.596) 9.035 4.614 ( 4.439 0.959 -1.500) 4.783 4.877 ( -4.468 0.451 2.078) 4.949 4.989 ( -2.535 0.704 3.261) 4.190 5.218 ( 1.215 -4.025 1.692) 4.532 5.374 ( 4.454 -8.238 -4.546) 10.410 5.546 ( -1.875 4.373 -8.573) 9.805 5.715 ( 5.562 1.633 -5.814) 8.210 5.892 ( 3.424 7.054 -0.753) 7.877 6.015 ( 3.862 5.300 1.560) 6.740 6.222 ( -1.247 3.230 -1.367) 3.723 6.393 ( 7.609 2.446 3.852) 8.872 6.459 ( 2.308 1.291 -1.365) 2.976 6.633 ( 1.011 3.648 10.198) 10.878 6.756 ( -0.490 -2.873 -2.534) 3.862 6.920 ( 1.944 -1.620 -3.378) 4.221 7.052 ( 7.864 -4.827 3.022) 9.709 7.249 ( 2.318 -2.961 -0.981) 3.886 7.387 ( 1.700 -4.412 0.936) 4.820 7.590 ( -2.519 -5.608 3.964) 7.315 7.798 ( -2.608 0.877 0.381) 2.778 7.999 ( 1.601 -0.086 -1.024) 1.902 8.135 ( -5.701 1.038 3.220) 6.629 8.191 ( 6.493 0.802 1.810) 6.788 8.700 ( -1.877 2.376 -5.128) 5.956 9.199 ( -3.047 -0.991 -5.419) 6.296 19.012 ( 0.743 -0.229 0.329) 0.844 19.096 ( 0.317 0.125 -0.498) 0.603 19.553 ( -0.195 -0.163 0.402) 0.475 19.685 ( 0.772 0.023 -1.126) 1.365 20.943 ( 1.646 -0.826 0.816) 2.014 21.072 ( 1.262 -0.399 -0.591) 1.450 21.385 ( -0.634 -0.312 0.035) 0.707 21.433 ( 1.979 -0.217 -0.178) 1.998 24.322 ( -0.075 0.088 1.836) 1.839 24.612 ( -0.332 -0.040 -1.386) 1.426 24.845 ( -0.199 0.187 1.211) 1.241 25.042 ( -0.441 0.023 -0.960) 1.057 31.945 ( -1.290 0.103 -0.062) 1.295 31.975 ( -0.599 0.048 -0.454) 0.753 32.291 ( -0.766 0.577 -0.150) 0.971 32.303 ( -1.078 0.568 0.004) 1.219 42.181 ( -3.370 -5.210 1.013) 6.287 42.481 ( -0.251 -11.637 -1.569) 11.745 42.814 ( -3.216 -0.601 3.213) 4.585 43.266 ( 5.009 -4.243 3.786) 7.578 43.573 ( -7.821 3.971 4.815) 10.006 44.066 ( 4.357 -1.582 7.902) 9.162 45.586 ( 11.609 12.142 -9.451) 19.274 45.952 ( -4.467 4.499 -15.605) 16.844 ======================= Grid point 126 (48/120) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 6.387 11.249) 12.936 2.569 ( 0.000 5.534 4.087) 6.880 2.917 ( 0.000 -7.589 5.980) 9.662 2.936 ( -0.000 23.694 4.192) 24.062 3.059 ( -0.000 -0.410 -7.227) 7.239 3.527 ( 0.000 11.517 -5.497) 12.762 3.650 ( 0.000 -0.147 5.013) 5.015 3.900 ( -0.000 4.911 -1.151) 5.044 3.995 ( 0.000 1.083 -4.305) 4.439 4.040 ( 0.000 2.869 2.160) 3.592 4.564 ( 0.000 -6.344 2.933) 6.989 4.579 ( 0.000 1.122 2.670) 2.897 4.800 ( 0.000 6.084 4.517) 7.577 4.983 ( 0.000 -0.879 3.100) 3.223 5.224 ( 0.000 -4.448 0.069) 4.449 5.425 ( -0.000 -10.005 -1.444) 10.108 5.509 ( 0.000 6.065 -11.908) 13.363 5.772 ( 0.000 0.292 -2.600) 2.616 5.930 ( 0.000 8.837 -1.525) 8.968 6.103 ( 0.000 9.687 -3.838) 10.419 6.175 ( 0.000 0.204 0.646) 0.677 6.471 ( 0.000 2.226 -1.329) 2.593 6.477 ( -0.000 2.596 4.040) 4.802 6.640 ( 0.000 3.673 13.770) 14.252 6.719 ( 0.000 -2.494 -2.782) 3.736 6.973 ( 0.000 -2.130 -8.364) 8.631 7.193 ( 0.000 -8.855 3.280) 9.443 7.269 ( -0.000 -2.374 -5.484) 5.976 7.416 ( 0.000 -4.281 -1.109) 4.423 7.492 ( 0.000 -7.086 6.748) 9.785 7.836 ( 0.000 -1.067 4.769) 4.887 7.937 ( 0.000 3.778 2.810) 4.708 8.094 ( 0.000 -0.778 0.810) 1.123 8.262 ( 0.000 -0.025 -0.140) 0.142 8.684 ( 0.000 5.418 -5.124) 7.457 9.170 ( 0.000 -0.185 -4.941) 4.944 19.020 ( 0.000 -0.288 0.309) 0.422 19.099 ( 0.000 -0.153 -0.406) 0.434 19.551 ( 0.000 -0.193 0.419) 0.462 19.694 ( 0.000 0.356 -1.221) 1.272 20.959 ( 0.000 -0.727 0.862) 1.127 21.082 ( 0.000 -0.841 -0.481) 0.969 21.378 ( 0.000 -0.361 0.164) 0.396 21.456 ( 0.000 0.180 -0.481) 0.513 24.321 ( 0.000 0.112 1.774) 1.778 24.609 ( 0.000 -0.026 -1.394) 1.394 24.843 ( 0.000 0.183 1.163) 1.177 25.038 ( 0.000 0.024 -0.966) 0.966 31.932 ( 0.000 0.069 -0.071) 0.099 31.969 ( -0.000 0.003 -0.522) 0.522 32.283 ( -0.000 0.749 -0.077) 0.753 32.293 ( 0.000 0.411 -0.064) 0.416 42.147 ( 0.000 -5.130 1.204) 5.270 42.479 ( 0.000 -12.532 -1.709) 12.648 42.781 ( 0.000 -0.641 3.016) 3.084 43.327 ( 0.000 -9.931 -2.696) 10.291 43.480 ( 0.000 9.392 11.510) 14.856 44.112 ( 0.000 -0.790 8.484) 8.521 45.746 ( 0.000 9.386 -9.369) 13.262 45.862 ( -0.000 6.918 -14.916) 16.442 ======================= Grid point 132 (49/120) ======================= q-point: ( 0.00 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 0.000 18.018 9.233) 20.246 1.642 ( 0.000 18.309 9.808) 20.771 2.347 ( 0.000 -15.217 -0.103) 15.217 2.395 ( 0.000 -0.231 9.411) 9.414 3.112 ( 0.000 7.416 3.974) 8.413 3.366 ( 0.000 2.132 -4.053) 4.580 3.401 ( 0.000 6.216 -7.239) 9.542 3.791 ( 0.000 -0.845 -9.119) 9.158 3.800 ( 0.000 8.226 0.288) 8.231 4.045 ( 0.000 1.032 4.214) 4.339 4.194 ( 0.000 0.894 2.837) 2.974 4.338 ( 0.000 -2.131 2.430) 3.232 4.426 ( 0.000 -4.310 -5.926) 7.328 4.795 ( 0.000 -3.268 -3.407) 4.721 5.178 ( 0.000 3.910 0.461) 3.937 5.272 ( 0.000 -2.699 -2.545) 3.710 5.358 ( 0.000 0.114 0.972) 0.978 5.436 ( 0.000 1.644 1.135) 1.998 5.658 ( 0.000 -2.725 4.622) 5.365 5.813 ( 0.000 -1.377 -0.206) 1.392 6.007 ( 0.000 4.228 -9.656) 10.541 6.124 ( 0.000 1.131 -7.558) 7.642 6.126 ( 0.000 -0.968 5.045) 5.137 6.683 ( 0.000 2.310 -0.552) 2.375 6.781 ( 0.000 8.496 -1.142) 8.573 7.024 ( 0.000 3.673 -9.968) 10.623 7.082 ( 0.000 -2.579 6.101) 6.624 7.272 ( 0.000 -2.927 -1.076) 3.119 7.429 ( 0.000 -5.076 12.114) 13.135 7.455 ( 0.000 3.113 -1.427) 3.424 7.659 ( 0.000 -0.599 0.089) 0.605 7.770 ( 0.000 4.919 13.520) 14.387 7.781 ( 0.000 -0.669 -1.192) 1.366 8.404 ( 0.000 -1.885 2.955) 3.505 8.906 ( 0.000 -2.753 -6.244) 6.824 9.223 ( 0.000 -11.126 -5.334) 12.339 18.937 ( 0.000 0.078 0.066) 0.102 18.954 ( 0.000 -0.064 -0.123) 0.139 19.600 ( 0.000 -0.175 0.739) 0.760 19.745 ( 0.000 0.363 -0.839) 0.914 20.682 ( 0.000 -0.078 0.429) 0.436 20.762 ( 0.000 -0.063 -0.430) 0.435 21.442 ( 0.000 -0.404 0.766) 0.866 21.520 ( 0.000 -0.477 -0.221) 0.526 24.328 ( 0.000 -0.221 2.363) 2.373 24.649 ( 0.000 -0.252 -1.497) 1.518 24.871 ( 0.000 0.038 1.632) 1.633 25.097 ( 0.000 -0.402 -1.088) 1.160 32.066 ( 0.000 0.511 0.507) 0.720 32.097 ( 0.000 -0.070 0.420) 0.426 32.374 ( 0.000 0.405 -0.215) 0.459 32.429 ( 0.000 -0.211 0.417) 0.467 42.257 ( 0.000 -2.296 1.202) 2.592 42.606 ( 0.000 0.423 -3.578) 3.603 42.865 ( 0.000 -0.184 4.638) 4.642 43.157 ( 0.000 0.244 5.217) 5.223 43.398 ( 0.000 0.235 6.325) 6.329 44.259 ( 0.000 1.717 -3.989) 4.342 45.306 ( 0.000 14.519 -8.615) 16.882 45.725 ( 0.000 -4.921 -19.410) 20.024 ======================= Grid point 133 (50/120) ======================= q-point: ( 0.10 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 12.361 16.797 6.381) 21.810 1.737 ( 13.688 16.614 9.136) 23.385 2.283 ( 1.871 -10.988 5.817) 12.573 2.645 ( 14.869 -5.596 3.065) 16.180 3.095 ( -1.099 6.986 3.334) 7.818 3.263 ( -4.415 3.740 -5.406) 7.919 3.524 ( 7.134 2.601 0.248) 7.597 3.772 ( -0.050 3.113 -7.407) 8.035 3.845 ( 3.678 9.816 -0.930) 10.524 4.052 ( 3.953 -0.057 2.922) 4.917 4.252 ( 2.496 -1.686 1.622) 3.421 4.396 ( 2.729 -2.797 -5.118) 6.440 4.485 ( 8.621 -1.230 -1.449) 8.828 4.806 ( 1.591 -2.462 -3.928) 4.901 5.180 ( -0.838 2.932 3.595) 4.714 5.241 ( -1.913 -1.983 -2.682) 3.846 5.399 ( 2.717 -0.394 3.223) 4.234 5.526 ( 8.366 1.908 0.661) 8.606 5.667 ( 2.559 -3.361 2.201) 4.763 5.886 ( 5.778 -0.166 -3.017) 6.520 6.028 ( -0.092 5.068 -2.021) 5.457 6.108 ( 2.980 -0.146 -6.840) 7.462 6.197 ( 4.561 -1.334 0.063) 4.753 6.677 ( -1.203 3.369 -0.248) 3.586 6.740 ( -3.458 6.950 -1.230) 7.859 6.962 ( -5.530 2.093 4.069) 7.178 7.082 ( 1.646 -0.043 -8.181) 8.345 7.240 ( -3.855 -3.120 -0.077) 4.960 7.342 ( -0.216 -7.151 9.549) 11.932 7.506 ( -1.911 3.944 1.477) 4.625 7.689 ( 0.355 -1.071 2.698) 2.925 7.819 ( 4.866 3.758 9.040) 10.933 7.868 ( 9.168 1.535 -0.510) 9.309 8.375 ( -2.750 -1.514 2.887) 4.264 8.877 ( -2.922 -2.613 -6.120) 7.267 9.208 ( -1.262 -11.005 -5.806) 12.507 18.945 ( 0.854 0.086 0.137) 0.869 18.984 ( 2.875 -0.111 -0.367) 2.901 19.591 ( -0.870 -0.163 0.704) 1.131 19.722 ( -2.089 0.460 -0.721) 2.257 20.748 ( 6.020 -0.036 0.010) 6.020 20.783 ( 2.375 -0.401 -0.256) 2.422 21.419 ( -2.150 -0.426 0.835) 2.346 21.497 ( -2.172 -0.260 -0.105) 2.190 24.328 ( -0.076 -0.168 2.280) 2.287 24.644 ( -0.498 -0.198 -1.461) 1.556 24.868 ( -0.276 0.074 1.555) 1.581 25.089 ( -0.732 -0.284 -1.055) 1.315 32.054 ( -1.168 0.502 0.419) 1.339 32.078 ( -1.780 0.048 0.361) 1.817 32.364 ( -0.976 0.339 -0.160) 1.045 32.416 ( -1.312 -0.054 0.297) 1.346 42.282 ( 1.890 -2.977 1.119) 3.699 42.531 ( -6.586 0.357 -2.371) 7.009 42.887 ( 2.002 -0.885 4.619) 5.112 43.120 ( -3.360 -0.568 4.436) 5.594 43.486 ( 8.078 0.653 6.917) 10.655 44.210 ( -5.196 1.308 -3.345) 6.316 45.345 ( 3.952 14.917 -8.609) 17.671 45.778 ( 5.091 -5.577 -19.084) 20.524 ======================= Grid point 134 (51/120) ======================= q-point: ( 0.20 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 8.501 15.572 7.640) 19.316 2.096 ( 17.876 8.881 5.062) 20.593 2.388 ( 6.570 -3.530 5.895) 9.507 2.867 ( 7.949 -7.630 -1.511) 11.121 3.105 ( 3.028 5.990 2.747) 7.252 3.256 ( 3.794 -0.225 -1.167) 3.976 3.640 ( 4.873 4.640 3.022) 7.376 3.816 ( 3.999 0.954 -0.056) 4.111 3.959 ( 7.168 12.108 -1.807) 14.186 4.171 ( 5.015 0.478 -1.851) 5.367 4.305 ( 4.508 -0.097 -4.744) 6.545 4.420 ( 1.264 -0.217 -0.867) 1.548 4.710 ( 12.101 -3.477 -6.459) 14.150 4.866 ( 4.866 -0.338 -4.752) 6.810 5.154 ( -1.717 -0.240 4.495) 4.817 5.195 ( -2.424 -1.296 0.750) 2.849 5.470 ( 5.003 0.673 6.692) 8.382 5.654 ( 3.051 1.374 0.720) 3.423 5.776 ( 7.787 -0.738 -1.685) 8.002 5.985 ( 3.121 2.484 -4.527) 6.034 6.039 ( 3.295 0.406 0.648) 3.382 6.212 ( 6.610 1.804 -4.154) 8.012 6.296 ( 5.190 -1.925 -1.626) 5.769 6.621 ( -2.424 6.680 0.809) 7.152 6.716 ( 0.891 3.177 1.616) 3.674 6.883 ( -2.630 -0.144 4.306) 5.048 7.079 ( -3.201 -2.230 -1.976) 4.373 7.210 ( -0.229 -3.490 -2.747) 4.448 7.338 ( -0.593 -2.675 6.074) 6.663 7.461 ( -0.754 0.977 2.937) 3.186 7.711 ( 3.378 -0.153 0.977) 3.520 7.929 ( 5.991 2.424 6.794) 9.377 8.012 ( 2.994 0.641 -1.083) 3.248 8.323 ( -1.674 1.298 1.742) 2.743 8.804 ( -3.923 -1.453 -5.348) 6.789 9.184 ( -1.146 -9.864 -6.436) 11.834 18.967 ( 1.328 0.115 0.286) 1.363 19.047 ( 3.106 0.043 -0.742) 3.193 19.572 ( -0.972 -0.190 0.587) 1.152 19.680 ( -1.760 0.255 -0.584) 1.871 20.827 ( 3.036 -0.129 0.221) 3.047 20.903 ( 7.866 -0.463 -0.873) 7.928 21.376 ( -1.690 -0.440 0.944) 1.985 21.449 ( -2.476 -0.193 0.074) 2.484 24.326 ( -0.088 -0.066 2.095) 2.098 24.632 ( -0.660 -0.113 -1.406) 1.557 24.861 ( -0.393 0.123 1.394) 1.453 25.072 ( -0.959 -0.110 -1.004) 1.393 32.025 ( -1.644 0.442 0.175) 1.712 32.034 ( -2.592 0.140 0.225) 2.605 32.340 ( -1.337 0.230 -0.083) 1.359 32.383 ( -1.965 0.205 0.085) 1.977 42.292 ( -1.969 -3.146 0.579) 3.757 42.398 ( -5.914 -2.192 -1.015) 6.389 42.936 ( 1.966 -0.048 4.426) 4.844 43.047 ( -2.792 -3.035 3.964) 5.721 43.674 ( 10.480 1.522 7.992) 13.267 44.060 ( -9.618 0.486 -1.213) 9.706 45.459 ( 7.663 14.647 -8.922) 18.784 45.894 ( 5.984 -5.337 -17.753) 19.480 ======================= Grid point 135 (52/120) ======================= q-point: ( 0.30 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 3.506 11.003 10.589) 15.668 2.372 ( 10.255 -1.623 5.967) 11.975 2.536 ( 10.784 10.671 1.117) 15.213 2.972 ( 3.110 -7.396 -5.169) 9.544 3.219 ( 7.485 7.348 3.178) 10.960 3.371 ( 7.223 -3.117 1.528) 8.014 3.726 ( 3.763 5.738 -0.750) 6.903 3.900 ( 4.402 4.353 4.075) 7.412 4.039 ( -0.017 2.596 3.921) 4.702 4.212 ( 0.988 0.654 -8.897) 8.975 4.334 ( -1.453 4.720 -0.820) 5.006 4.525 ( 6.048 -1.045 -1.194) 6.252 4.848 ( 3.143 -0.601 -5.764) 6.592 5.009 ( 4.680 -5.070 -6.900) 9.758 5.131 ( 2.133 -0.606 4.046) 4.614 5.183 ( 1.764 -0.692 4.441) 4.828 5.582 ( 5.221 2.732 2.793) 6.521 5.695 ( 1.993 3.005 -3.554) 5.063 5.899 ( 5.628 0.350 0.217) 5.643 6.021 ( 2.165 3.370 -3.362) 5.230 6.177 ( 9.977 -0.025 0.457) 9.988 6.315 ( 3.415 2.754 0.128) 4.389 6.403 ( 5.800 -0.480 -3.853) 6.980 6.627 ( 2.340 4.693 1.854) 5.562 6.746 ( 0.935 3.244 5.136) 6.146 6.859 ( 1.221 -3.440 0.907) 3.761 6.986 ( -5.721 -4.100 0.887) 7.094 7.172 ( -1.847 -2.268 4.159) 5.084 7.336 ( -0.006 0.751 -0.216) 0.782 7.482 ( 1.519 -4.233 6.112) 7.588 7.835 ( 7.591 0.389 -4.025) 8.600 7.937 ( -5.301 -1.516 -0.577) 5.544 8.077 ( 6.381 0.881 4.889) 8.086 8.290 ( -3.763 2.739 -0.001) 4.654 8.757 ( -0.312 1.823 -4.228) 4.615 9.164 ( -0.961 -6.869 -6.290) 9.364 18.993 ( 1.264 0.141 0.403) 1.334 19.090 ( 1.137 0.237 -0.731) 1.372 19.556 ( -0.612 -0.250 0.468) 0.810 19.666 ( 0.342 -0.135 -0.772) 0.855 20.885 ( 2.802 -0.392 0.564) 2.885 21.026 ( 4.231 0.041 -1.193) 4.396 21.373 ( 1.500 -0.423 0.571) 1.660 21.408 ( -1.632 -0.403 0.314) 1.710 24.324 ( -0.064 0.016 1.913) 1.914 24.620 ( -0.550 -0.060 -1.383) 1.490 24.854 ( -0.354 0.136 1.249) 1.305 25.054 ( -0.788 -0.021 -0.976) 1.255 31.983 ( -2.367 0.158 0.093) 2.374 31.996 ( -1.351 0.225 -0.122) 1.375 32.315 ( -1.133 0.193 -0.062) 1.151 32.344 ( -1.870 0.387 -0.044) 1.910 42.204 ( -5.616 -1.352 0.260) 5.782 42.320 ( -2.978 -7.041 -0.662) 7.673 42.890 ( -4.872 0.233 2.352) 5.415 43.081 ( 4.221 -4.713 4.082) 7.529 43.806 ( -3.817 4.970 5.114) 8.089 43.929 ( 3.473 -1.916 6.699) 7.785 45.628 ( 9.272 12.589 -9.508) 18.299 45.985 ( 3.036 -2.938 -15.871) 16.423 ======================= Grid point 136 (53/120) ======================= q-point: ( 0.40 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -1.291 7.751 13.625) 15.728 2.551 ( 8.479 2.211 3.805) 9.553 2.750 ( 8.709 4.003 0.934) 9.630 3.011 ( 1.404 -4.191 -7.864) 9.021 3.335 ( 3.691 12.093 3.260) 13.058 3.511 ( 6.668 -2.307 4.850) 8.562 3.759 ( -1.278 5.185 -3.214) 6.233 3.962 ( 2.080 6.821 3.235) 7.831 4.031 ( 1.285 3.591 -0.468) 3.843 4.183 ( -4.671 2.209 -1.463) 5.370 4.344 ( 3.415 -2.524 -0.844) 4.329 4.550 ( -2.640 -7.827 -1.454) 8.387 4.906 ( 2.241 2.801 -0.872) 3.692 5.012 ( -0.073 -1.604 -0.635) 1.727 5.163 ( 0.139 0.278 6.049) 6.057 5.252 ( 1.704 -3.621 2.388) 4.660 5.637 ( 0.577 4.116 -6.237) 7.495 5.734 ( 2.367 0.310 -7.312) 7.692 6.021 ( 5.879 4.586 -0.279) 7.461 6.110 ( 6.523 5.620 -0.473) 8.623 6.287 ( 0.253 2.962 -4.026) 5.004 6.419 ( 5.426 -1.188 -1.207) 5.684 6.503 ( 4.459 4.030 -0.068) 6.010 6.669 ( 0.687 -0.718 -1.706) 1.975 6.750 ( 1.901 2.449 6.039) 6.788 6.898 ( -0.755 -2.879 3.667) 4.722 6.937 ( 4.664 -3.797 3.999) 7.222 7.186 ( 2.891 -2.973 2.899) 5.060 7.322 ( -1.511 -1.716 -0.332) 2.311 7.464 ( -5.057 -6.990 5.176) 10.061 7.807 ( -2.303 0.171 0.771) 2.435 7.998 ( 4.922 -0.106 -3.017) 5.774 8.156 ( -7.794 1.266 1.058) 7.967 8.202 ( 4.949 0.309 1.568) 5.200 8.781 ( 1.809 4.829 -4.141) 6.613 9.147 ( -0.670 -3.670 -5.693) 6.807 19.013 ( 0.725 0.179 0.440) 0.867 19.097 ( -0.130 -0.003 -0.430) 0.449 19.548 ( -0.227 -0.279 0.424) 0.556 19.684 ( 1.147 -0.097 -1.161) 1.635 20.929 ( 1.654 -0.500 0.719) 1.871 21.071 ( 0.898 0.148 -0.833) 1.234 21.379 ( -0.793 -0.257 0.319) 0.893 21.426 ( 2.557 -0.460 -0.017) 2.598 24.324 ( -0.033 0.064 1.788) 1.790 24.611 ( -0.306 -0.030 -1.385) 1.419 24.848 ( -0.207 0.130 1.160) 1.185 25.042 ( -0.430 0.010 -0.966) 1.058 31.946 ( -1.363 0.066 0.022) 1.365 31.976 ( -0.713 0.088 -0.356) 0.802 32.298 ( -0.632 0.222 -0.071) 0.674 32.314 ( -1.131 0.488 -0.083) 1.235 42.112 ( -3.448 -1.534 0.373) 3.793 42.271 ( -1.922 -9.098 -0.848) 9.337 42.805 ( -3.384 -0.295 1.742) 3.818 43.144 ( 1.826 -5.868 0.240) 6.150 43.682 ( -4.993 5.101 8.486) 11.089 44.054 ( 5.504 -0.007 9.776) 11.219 45.797 ( 7.720 9.026 -10.045) 15.555 46.006 ( -0.744 0.857 -14.344) 14.389 ======================= Grid point 137 (54/120) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 7.346 14.331) 16.104 2.649 ( 0.000 2.990 3.602) 4.681 2.829 ( 0.000 -1.060 1.401) 1.757 3.032 ( 0.000 -2.905 -9.815) 10.236 3.364 ( 0.000 17.757 2.357) 17.913 3.600 ( 0.000 -3.977 11.700) 12.358 3.711 ( 0.000 6.079 -5.482) 8.186 4.020 ( -0.000 7.775 1.086) 7.851 4.046 ( 0.000 6.342 -4.632) 7.854 4.095 ( 0.000 2.040 -0.790) 2.188 4.414 ( 0.000 -8.853 3.243) 9.428 4.492 ( -0.000 -9.557 -1.965) 9.757 4.906 ( 0.000 3.548 0.708) 3.618 5.060 ( -0.000 6.354 6.820) 9.321 5.129 ( 0.000 -4.344 -1.236) 4.517 5.264 ( -0.000 -5.355 5.043) 7.356 5.631 ( 0.000 5.609 -9.902) 11.380 5.771 ( 0.000 -1.020 -5.106) 5.207 6.073 ( 0.000 5.403 -1.280) 5.552 6.221 ( 0.000 5.156 -0.179) 5.159 6.258 ( -0.000 5.436 -6.096) 8.168 6.463 ( 0.000 -3.556 -2.114) 4.137 6.537 ( 0.000 4.263 -1.836) 4.642 6.672 ( 0.000 -1.948 -2.644) 3.284 6.759 ( 0.000 6.274 11.606) 13.193 6.949 ( 0.000 -0.303 -1.508) 1.538 7.022 ( 0.000 -6.072 7.636) 9.756 7.215 ( -0.000 -3.283 -3.765) 4.995 7.321 ( -0.000 -4.338 -1.241) 4.512 7.335 ( 0.000 -9.018 8.799) 12.600 7.822 ( 0.000 -0.407 4.402) 4.421 8.010 ( 0.000 3.265 -0.257) 3.275 8.075 ( 0.000 -0.888 -0.055) 0.890 8.261 ( 0.000 -0.089 -0.532) 0.540 8.801 ( 0.000 5.648 -4.328) 7.115 9.141 ( 0.000 -2.387 -5.368) 5.875 19.020 ( 0.000 0.210 0.439) 0.487 19.094 ( 0.000 -0.217 -0.278) 0.353 19.546 ( 0.000 -0.285 0.424) 0.511 19.697 ( 0.000 0.030 -1.339) 1.339 20.946 ( 0.000 -0.526 0.751) 0.917 21.078 ( 0.000 0.112 -0.652) 0.661 21.371 ( 0.000 -0.338 0.447) 0.560 21.454 ( 0.000 -0.268 -0.380) 0.465 24.323 ( 0.000 0.079 1.745) 1.746 24.608 ( 0.000 -0.019 -1.389) 1.389 24.846 ( 0.000 0.126 1.131) 1.138 25.038 ( 0.000 0.017 -0.964) 0.964 31.933 ( 0.000 0.032 -0.001) 0.032 31.969 ( 0.000 0.029 -0.440) 0.441 32.292 ( 0.000 0.250 -0.076) 0.261 32.303 ( 0.000 0.515 -0.088) 0.522 42.078 ( 0.000 -1.661 0.413) 1.711 42.252 ( 0.000 -9.823 -0.911) 9.865 42.771 ( 0.000 -0.364 1.550) 1.592 43.158 ( 0.000 -6.573 -2.309) 6.967 43.635 ( 0.000 5.872 11.544) 12.952 44.110 ( 0.000 0.269 10.109) 10.113 45.893 ( 0.000 5.363 -9.718) 11.099 45.979 ( -0.000 4.572 -14.313) 15.025 ======================= Grid point 143 (55/120) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 0.000 7.319) 7.319 1.860 ( 0.000 0.000 8.575) 8.575 2.141 ( 0.000 0.000 1.459) 1.459 2.330 ( 0.000 0.000 9.099) 9.099 3.220 ( 0.000 0.000 3.152) 3.152 3.386 ( 0.000 0.000 -4.254) 4.254 3.422 ( 0.000 0.000 -3.531) 3.531 3.784 ( 0.000 0.000 -10.498) 10.498 3.888 ( 0.000 0.000 -4.674) 4.674 4.206 ( 0.000 0.000 4.707) 4.707 4.219 ( 0.000 -0.000 5.444) 5.444 4.257 ( 0.000 0.000 -5.013) 5.013 4.314 ( 0.000 0.000 1.890) 1.890 4.752 ( 0.000 0.000 -5.711) 5.711 5.211 ( 0.000 0.000 0.315) 0.315 5.247 ( 0.000 0.000 -1.471) 1.471 5.364 ( 0.000 0.000 -0.102) 0.102 5.456 ( 0.000 0.000 1.354) 1.354 5.629 ( 0.000 0.000 6.640) 6.640 5.798 ( 0.000 0.000 0.439) 0.439 6.044 ( 0.000 0.000 -16.912) 16.912 6.117 ( 0.000 0.000 5.124) 5.124 6.147 ( 0.000 0.000 -0.399) 0.399 6.706 ( 0.000 0.000 -0.679) 0.679 6.890 ( 0.000 0.000 -6.075) 6.075 7.026 ( 0.000 -0.000 20.678) 20.678 7.078 ( 0.000 0.000 -14.948) 14.948 7.241 ( 0.000 0.000 -0.821) 0.821 7.362 ( 0.000 0.000 7.643) 7.643 7.486 ( 0.000 -0.000 -2.271) 2.271 7.655 ( 0.000 0.000 0.239) 0.239 7.772 ( 0.000 0.000 -0.759) 0.759 7.829 ( 0.000 -0.000 14.502) 14.502 8.376 ( 0.000 0.000 3.804) 3.804 8.894 ( 0.000 0.000 -6.654) 6.654 9.095 ( 0.000 0.000 -7.565) 7.565 18.937 ( 0.000 0.000 0.057) 0.057 18.953 ( 0.000 0.000 -0.116) 0.116 19.598 ( 0.000 0.000 0.802) 0.802 19.748 ( 0.000 0.000 -0.901) 0.901 20.681 ( 0.000 0.000 0.429) 0.429 20.761 ( 0.000 0.000 -0.432) 0.432 21.438 ( 0.000 0.000 0.854) 0.854 21.515 ( 0.000 0.000 -0.119) 0.119 24.327 ( 0.000 0.000 2.195) 2.195 24.646 ( 0.000 0.000 -1.474) 1.474 24.872 ( 0.000 0.000 1.444) 1.444 25.092 ( 0.000 0.000 -1.086) 1.086 32.072 ( 0.000 0.000 0.568) 0.568 32.095 ( 0.000 0.000 0.553) 0.553 32.378 ( 0.000 0.000 0.010) 0.010 32.426 ( 0.000 0.000 0.073) 0.073 42.234 ( 0.000 0.000 1.295) 1.295 42.610 ( 0.000 0.000 -3.895) 3.895 42.864 ( 0.000 0.000 5.522) 5.522 43.160 ( 0.000 0.000 4.970) 4.970 43.400 ( 0.000 0.000 6.580) 6.580 44.276 ( 0.000 0.000 -4.017) 4.017 45.557 ( 0.000 0.000 -14.314) 14.314 45.567 ( 0.000 -0.000 -10.460) 10.460 ======================= Grid point 145 (56/120) ======================= q-point: ( 0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 12.849 -0.000 4.418) 13.587 1.972 ( 15.848 -0.000 8.458) 17.963 2.056 ( -2.619 0.000 6.542) 7.047 2.549 ( 14.174 0.000 3.551) 14.612 3.190 ( -2.144 0.000 3.278) 3.917 3.284 ( -5.548 0.000 -3.905) 6.785 3.526 ( 6.887 0.000 -0.130) 6.888 3.797 ( 1.242 0.000 -8.183) 8.277 3.987 ( 10.071 -0.000 -4.310) 10.955 4.161 ( -2.194 -0.000 1.910) 2.909 4.179 ( -0.117 0.000 -0.542) 0.555 4.333 ( 4.822 0.000 -0.798) 4.888 4.468 ( 11.084 0.000 -0.615) 11.101 4.772 ( 2.561 0.000 -5.678) 6.229 5.206 ( -2.896 -0.000 -0.900) 3.033 5.217 ( -0.760 0.000 2.736) 2.839 5.406 ( 2.682 0.000 3.918) 4.748 5.552 ( 9.683 0.000 0.521) 9.697 5.623 ( 1.201 -0.000 3.931) 4.111 5.883 ( 6.568 -0.000 -2.944) 7.197 6.083 ( -2.558 0.000 1.006) 2.749 6.106 ( 5.872 0.000 -13.178) 14.427 6.189 ( 3.544 0.000 2.970) 4.624 6.711 ( 0.431 -0.000 0.119) 0.447 6.823 ( -6.042 0.000 -5.834) 8.399 6.978 ( -4.282 0.000 14.821) 15.427 7.108 ( 3.390 -0.000 -13.939) 14.345 7.174 ( -9.391 0.000 6.765) 11.574 7.263 ( 1.509 0.000 3.827) 4.114 7.559 ( -1.512 0.000 0.135) 1.518 7.666 ( 1.076 -0.000 1.161) 1.583 7.863 ( 3.501 -0.000 11.955) 12.457 7.884 ( 9.959 0.000 -1.661) 10.097 8.357 ( -1.532 0.000 3.416) 3.744 8.864 ( -2.909 0.000 -6.315) 6.953 9.082 ( -1.081 0.000 -7.344) 7.423 18.946 ( 0.870 0.000 0.125) 0.879 18.983 ( 2.859 0.000 -0.334) 2.878 19.589 ( -0.876 0.000 0.767) 1.164 19.727 ( -2.041 0.000 -0.795) 2.191 20.748 ( 6.378 -0.000 0.020) 6.378 20.779 ( 1.798 0.000 -0.238) 1.814 21.415 ( -2.154 0.000 0.922) 2.343 21.494 ( -2.025 0.000 -0.057) 2.026 24.326 ( -0.034 0.000 2.140) 2.140 24.642 ( -0.452 0.000 -1.450) 1.519 24.869 ( -0.255 0.000 1.400) 1.423 25.086 ( -0.635 0.000 -1.064) 1.239 32.059 ( -1.203 -0.000 0.471) 1.292 32.078 ( -1.670 0.000 0.472) 1.735 32.367 ( -1.052 0.000 0.038) 1.053 32.414 ( -1.166 0.000 0.022) 1.166 42.253 ( 1.342 0.000 1.158) 1.772 42.537 ( -6.815 0.000 -2.841) 7.383 42.876 ( 1.553 0.000 5.566) 5.779 43.114 ( -4.133 0.000 4.021) 5.766 43.492 ( 8.389 0.000 7.212) 11.063 44.224 ( -5.442 0.000 -3.224) 6.325 45.587 ( 2.381 0.000 -10.350) 10.620 45.626 ( 6.561 -0.000 -14.554) 15.965 ======================= Grid point 147 (57/120) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 1.550 -0.000 10.334) 10.450 2.082 ( 12.191 0.000 4.312) 12.931 2.396 ( 21.422 0.000 3.311) 21.677 2.746 ( 5.797 0.000 -1.894) 6.098 3.185 ( 2.811 0.000 2.994) 4.107 3.235 ( 1.267 -0.000 0.694) 1.445 3.676 ( 8.053 -0.000 1.154) 8.136 3.837 ( 3.155 0.000 -2.084) 3.781 4.100 ( -0.955 -0.000 6.765) 6.832 4.201 ( 1.583 -0.000 -5.764) 5.978 4.290 ( 15.032 0.000 -12.871) 19.790 4.407 ( 2.445 0.000 0.342) 2.469 4.679 ( 10.348 0.000 -5.881) 11.902 4.861 ( 5.978 0.000 -5.285) 7.979 5.143 ( -3.617 0.000 0.459) 3.646 5.181 ( -1.803 0.000 6.409) 6.658 5.484 ( 6.085 0.000 10.781) 12.379 5.663 ( 2.546 0.000 0.242) 2.557 5.764 ( 9.687 -0.000 -0.839) 9.724 6.004 ( 4.509 0.000 -4.931) 6.682 6.051 ( 1.032 0.000 -0.691) 1.242 6.234 ( 6.651 -0.000 -10.128) 12.117 6.281 ( 5.824 0.000 3.363) 6.725 6.721 ( 0.648 -0.000 2.380) 2.466 6.726 ( -2.267 0.000 -1.522) 2.731 6.892 ( -4.052 -0.000 7.330) 8.375 7.032 ( -6.431 -0.000 3.930) 7.536 7.170 ( 1.170 0.000 -6.195) 6.304 7.305 ( 3.604 -0.000 4.162) 5.506 7.480 ( -4.567 0.000 2.545) 5.229 7.709 ( 4.050 -0.000 0.043) 4.050 7.960 ( 6.123 0.000 8.021) 10.091 8.003 ( 0.131 0.000 -1.623) 1.628 8.347 ( 0.684 0.000 0.787) 1.043 8.802 ( -2.709 0.000 -4.989) 5.678 9.068 ( -0.130 0.000 -6.866) 6.868 18.968 ( 1.347 -0.000 0.277) 1.375 19.048 ( 3.254 0.000 -0.721) 3.333 19.569 ( -1.005 0.000 0.651) 1.197 19.683 ( -1.978 0.000 -0.619) 2.072 20.826 ( 2.824 0.000 0.170) 2.829 20.898 ( 8.134 -0.000 -0.845) 8.177 21.372 ( -1.707 0.000 1.052) 2.005 21.447 ( -2.522 0.000 0.089) 2.524 24.325 ( -0.041 0.000 2.011) 2.012 24.631 ( -0.621 0.000 -1.409) 1.540 24.863 ( -0.382 0.000 1.302) 1.357 25.070 ( -0.884 0.000 -1.020) 1.350 32.030 ( -1.691 -0.000 0.215) 1.704 32.035 ( -2.597 0.000 0.301) 2.614 32.342 ( -1.389 0.000 0.064) 1.390 32.384 ( -1.830 -0.000 -0.072) 1.832 42.260 ( -1.032 0.000 0.585) 1.186 42.381 ( -8.568 -0.000 -1.275) 8.662 42.934 ( 4.413 0.000 5.407) 6.979 43.013 ( -5.984 0.000 2.681) 6.557 43.688 ( 11.114 0.000 8.440) 13.956 44.070 ( -9.940 0.000 -0.762) 9.970 45.666 ( 5.703 0.000 -10.159) 11.651 45.777 ( 8.118 -0.000 -14.787) 16.869 ======================= Grid point 149 (58/120) ======================= q-point: ( 0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -0.954 -0.000 13.809) 13.842 2.337 ( 13.417 0.000 3.017) 13.752 2.703 ( 10.144 0.000 0.894) 10.184 2.834 ( 4.665 -0.000 -6.362) 7.889 3.313 ( 9.423 -0.000 2.043) 9.642 3.316 ( 6.248 0.000 5.024) 8.018 3.810 ( 5.062 -0.000 -2.330) 5.573 3.926 ( 6.015 0.000 2.600) 6.553 4.064 ( -2.384 -0.000 5.813) 6.283 4.216 ( -0.223 0.000 -9.013) 9.016 4.420 ( -1.094 -0.000 1.143) 1.582 4.478 ( 1.959 0.000 -6.474) 6.764 4.853 ( 5.781 0.000 -8.689) 10.437 4.949 ( 2.359 -0.000 -4.180) 4.800 5.130 ( 4.689 0.000 2.050) 5.118 5.175 ( 0.785 -0.000 7.702) 7.742 5.614 ( 5.063 0.000 6.047) 7.887 5.724 ( 2.880 0.000 -2.762) 3.991 5.898 ( 7.411 -0.000 0.097) 7.411 6.060 ( 3.473 0.000 -4.631) 5.788 6.174 ( 9.963 0.000 -1.347) 10.054 6.341 ( 3.702 -0.000 -7.366) 8.244 6.402 ( 6.399 0.000 3.816) 7.451 6.725 ( -0.994 0.000 3.554) 3.691 6.751 ( 3.687 -0.000 2.158) 4.273 6.835 ( -1.458 0.000 2.275) 2.702 6.902 ( -5.895 -0.000 1.549) 6.095 7.158 ( -1.118 0.000 2.890) 3.099 7.357 ( 0.501 -0.000 2.469) 2.519 7.424 ( -1.412 0.000 5.063) 5.256 7.842 ( 8.952 0.000 -4.182) 9.880 7.916 ( -7.111 0.000 -0.855) 7.162 8.086 ( 6.594 -0.000 5.303) 8.462 8.320 ( -4.911 0.000 -1.482) 5.129 8.791 ( 1.746 -0.000 -3.520) 3.929 9.078 ( 1.056 0.000 -6.349) 6.436 18.995 ( 1.284 0.000 0.409) 1.348 19.092 ( 1.143 0.000 -0.746) 1.365 19.553 ( -0.636 0.000 0.519) 0.821 19.665 ( 0.205 0.000 -0.751) 0.778 20.881 ( 2.715 0.000 0.508) 2.762 21.026 ( 4.454 -0.000 -1.314) 4.644 21.369 ( 1.672 0.000 0.821) 1.862 21.403 ( -1.874 0.000 0.292) 1.897 24.325 ( -0.031 0.000 1.872) 1.872 24.619 ( -0.528 0.000 -1.387) 1.484 24.855 ( -0.357 0.000 1.205) 1.256 25.054 ( -0.757 0.000 -0.986) 1.243 31.985 ( -2.423 0.000 0.149) 2.427 31.999 ( -1.433 -0.000 -0.092) 1.436 32.317 ( -1.132 0.000 0.033) 1.133 32.348 ( -1.784 -0.000 -0.128) 1.788 42.216 ( -3.074 0.000 -0.106) 3.076 42.225 ( -7.071 -0.000 -0.341) 7.080 42.896 ( -5.794 0.000 1.712) 6.041 43.027 ( 4.359 0.000 3.615) 5.663 43.873 ( -9.440 -0.000 3.593) 10.101 43.898 ( 9.973 0.000 9.628) 13.862 45.792 ( 6.676 0.000 -9.996) 12.021 45.916 ( 5.869 -0.000 -14.602) 15.737 ======================= Grid point 151 (59/120) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -2.023 -0.000 15.424) 15.556 2.571 ( 9.927 0.000 2.574) 10.256 2.822 ( 2.885 0.000 -0.908) 3.025 2.930 ( 4.558 -0.000 -8.502) 9.647 3.454 ( 7.458 -0.000 8.886) 11.601 3.485 ( 6.991 0.000 2.308) 7.362 3.829 ( -3.768 -0.000 -5.140) 6.373 4.052 ( 5.824 0.000 1.475) 6.008 4.061 ( 3.785 -0.000 4.215) 5.665 4.204 ( 0.052 0.000 -5.836) 5.836 4.372 ( -3.663 0.000 0.332) 3.678 4.387 ( -9.073 -0.000 -2.077) 9.308 4.956 ( 6.742 0.000 -2.486) 7.186 4.958 ( -1.195 -0.000 -2.678) 2.932 5.193 ( 1.290 0.000 9.019) 9.111 5.211 ( -0.350 -0.000 4.086) 4.101 5.685 ( 3.998 0.000 -3.670) 5.427 5.731 ( -1.718 0.000 -8.440) 8.613 6.061 ( 6.880 -0.000 -0.214) 6.883 6.193 ( 8.813 0.000 -2.176) 9.078 6.325 ( 3.551 -0.000 -5.426) 6.484 6.374 ( 0.064 0.000 -5.125) 5.125 6.565 ( 8.364 0.000 2.455) 8.717 6.681 ( -2.585 0.000 -0.024) 2.585 6.754 ( 1.974 0.000 2.182) 2.942 6.827 ( -0.228 0.000 4.211) 4.217 6.933 ( 6.592 -0.000 6.168) 9.028 7.160 ( 1.550 0.000 5.909) 6.109 7.327 ( -3.003 -0.000 0.746) 3.094 7.359 ( -7.648 0.000 4.328) 8.787 7.809 ( -1.992 -0.000 1.043) 2.249 7.996 ( 5.807 0.000 -3.347) 6.703 8.173 ( -8.847 0.000 -0.258) 8.851 8.204 ( 5.178 -0.000 1.562) 5.409 8.840 ( 2.454 0.000 -3.665) 4.411 9.099 ( 0.858 0.000 -5.840) 5.903 19.015 ( 0.763 0.000 0.463) 0.892 19.097 ( -0.313 0.000 -0.417) 0.521 19.545 ( -0.236 0.000 0.457) 0.514 19.683 ( 1.226 0.000 -1.164) 1.691 20.924 ( 1.619 0.000 0.663) 1.749 21.073 ( 0.920 0.000 -0.990) 1.351 21.376 ( -0.931 0.000 0.513) 1.063 21.420 ( 2.766 0.000 0.029) 2.767 24.324 ( -0.016 0.000 1.770) 1.770 24.611 ( -0.295 0.000 -1.385) 1.416 24.850 ( -0.212 0.000 1.140) 1.160 25.042 ( -0.421 0.000 -0.968) 1.056 31.947 ( -1.400 0.000 0.061) 1.401 31.977 ( -0.776 -0.000 -0.327) 0.842 32.300 ( -0.613 0.000 -0.019) 0.613 32.319 ( -1.089 0.000 -0.135) 1.097 42.117 ( -3.926 0.000 0.049) 3.926 42.159 ( -2.361 0.000 -0.540) 2.422 42.803 ( -3.511 0.000 1.145) 3.693 43.083 ( 1.340 0.000 -0.106) 1.344 43.735 ( -4.471 0.000 9.050) 10.095 44.055 ( 5.832 0.000 10.399) 11.923 45.903 ( 4.304 0.000 -9.872) 10.769 45.999 ( 2.777 -0.000 -14.253) 14.521 ======================= Grid point 153 (60/120) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 0.000 0.000 15.740) 15.740 2.680 ( 0.000 0.000 3.270) 3.270 2.841 ( 0.000 0.000 -2.450) 2.450 2.980 ( 0.000 -0.000 -9.164) 9.164 3.555 ( 0.000 0.000 13.647) 13.647 3.556 ( 0.000 -0.000 2.874) 2.874 3.753 ( 0.000 0.000 -6.420) 6.420 4.100 ( 0.000 0.000 -5.977) 5.977 4.179 ( 0.000 0.000 -4.238) 4.238 4.215 ( 0.000 0.000 3.890) 3.890 4.251 ( 0.000 -0.000 9.575) 9.575 4.299 ( 0.000 0.000 -7.372) 7.372 4.936 ( 0.000 0.000 -1.527) 1.527 5.082 ( 0.000 0.000 -1.678) 1.678 5.140 ( 0.000 -0.000 6.763) 6.763 5.213 ( 0.000 0.000 9.098) 9.098 5.705 ( 0.000 -0.000 -9.707) 9.707 5.740 ( 0.000 0.000 -4.669) 4.669 6.128 ( 0.000 0.000 -1.324) 1.324 6.308 ( -0.000 0.000 -5.927) 5.927 6.349 ( 0.000 0.000 -5.044) 5.044 6.358 ( 0.000 -0.000 -1.056) 1.056 6.591 ( 0.000 -0.000 -4.149) 4.149 6.655 ( 0.000 0.000 -1.644) 1.644 6.820 ( 0.000 0.000 6.123) 6.123 6.901 ( 0.000 0.000 4.206) 4.206 7.055 ( 0.000 0.000 11.063) 11.063 7.168 ( 0.000 0.000 -0.406) 0.406 7.194 ( 0.000 -0.000 9.391) 9.391 7.279 ( 0.000 0.000 -3.459) 3.459 7.818 ( 0.000 0.000 4.202) 4.202 8.052 ( 0.000 -0.000 -1.705) 1.705 8.059 ( 0.000 0.000 -0.037) 0.037 8.260 ( 0.000 0.000 -0.669) 0.669 8.866 ( 0.000 0.000 -3.917) 3.917 9.107 ( 0.000 0.000 -5.593) 5.593 19.023 ( 0.000 0.000 0.470) 0.470 19.092 ( 0.000 0.000 -0.242) 0.242 19.543 ( 0.000 0.000 0.448) 0.448 19.697 ( 0.000 0.000 -1.367) 1.367 20.941 ( 0.000 0.000 0.695) 0.695 21.080 ( 0.000 0.000 -0.798) 0.798 21.367 ( 0.000 0.000 0.617) 0.617 21.450 ( 0.000 0.000 -0.326) 0.326 24.324 ( 0.000 0.000 1.732) 1.732 24.608 ( 0.000 0.000 -1.387) 1.387 24.848 ( 0.000 0.000 1.118) 1.118 25.038 ( 0.000 0.000 -0.964) 0.964 31.933 ( 0.000 0.000 0.033) 0.033 31.969 ( 0.000 0.000 -0.414) 0.414 32.294 ( 0.000 0.000 -0.043) 0.043 32.308 ( 0.000 0.000 -0.129) 0.129 42.078 ( 0.000 0.000 0.146) 0.146 42.135 ( 0.000 0.000 -0.678) 0.678 42.768 ( 0.000 0.000 0.958) 0.958 43.092 ( 0.000 0.000 -2.089) 2.089 43.694 ( 0.000 0.000 11.622) 11.622 44.113 ( 0.000 0.000 10.658) 10.658 45.946 ( 0.000 0.000 -9.822) 9.822 46.026 ( 0.000 0.000 -14.094) 14.094 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 0.000 27.548) 27.548 1.191 ( 0.000 0.000 28.881) 28.881 1.989 ( 0.000 0.000 44.743) 44.743 2.536 ( 0.000 0.000 -16.642) 16.642 2.714 ( 0.000 0.000 -16.275) 16.275 3.439 ( 0.000 0.000 5.231) 5.231 3.468 ( 0.000 0.000 3.614) 3.614 3.603 ( 0.000 0.000 8.842) 8.842 3.769 ( 0.000 0.000 -2.170) 2.170 4.174 ( 0.000 0.000 -3.369) 3.369 4.218 ( 0.000 0.000 -2.747) 2.747 4.312 ( 0.000 0.000 -1.722) 1.722 4.409 ( 0.000 0.000 2.204) 2.204 4.890 ( 0.000 0.000 -20.683) 20.683 4.957 ( 0.000 0.000 3.252) 3.252 5.216 ( 0.000 0.000 -5.633) 5.633 5.373 ( 0.000 0.000 5.814) 5.814 5.404 ( 0.000 0.000 2.431) 2.431 5.579 ( 0.000 0.000 6.093) 6.093 5.820 ( 0.000 0.000 -2.557) 2.557 5.885 ( 0.000 0.000 -7.796) 7.796 6.068 ( 0.000 0.000 -12.144) 12.144 6.395 ( 0.000 0.000 2.149) 2.149 6.413 ( 0.000 0.000 6.431) 6.431 6.498 ( 0.000 0.000 1.605) 1.605 6.521 ( 0.000 0.000 -3.759) 3.759 7.155 ( 0.000 0.000 -2.402) 2.402 7.157 ( 0.000 0.000 -1.461) 1.461 7.278 ( 0.000 0.000 2.137) 2.137 7.407 ( 0.000 0.000 -1.372) 1.372 7.691 ( 0.000 0.000 -2.508) 2.508 7.725 ( 0.000 0.000 -3.093) 3.093 8.049 ( 0.000 0.000 11.999) 11.999 8.360 ( 0.000 0.000 0.459) 0.459 9.540 ( 0.000 0.000 2.919) 2.919 9.784 ( 0.000 0.000 -3.685) 3.685 18.935 ( 0.000 0.000 0.221) 0.221 18.953 ( 0.000 0.000 -0.282) 0.282 19.604 ( 0.000 0.000 1.520) 1.520 19.709 ( 0.000 0.000 -1.425) 1.425 20.699 ( 0.000 0.000 0.770) 0.770 20.753 ( 0.000 0.000 -0.761) 0.761 21.477 ( 0.000 0.000 0.062) 0.062 21.478 ( 0.000 0.000 0.027) 0.027 24.455 ( 0.000 0.000 2.289) 2.289 24.614 ( 0.000 0.000 -2.177) 2.177 25.005 ( 0.000 0.000 0.920) 0.920 25.072 ( 0.000 0.000 -0.954) 0.954 32.083 ( 0.000 0.000 0.109) 0.109 32.085 ( 0.000 0.000 0.036) 0.036 32.360 ( 0.000 0.000 0.129) 0.129 32.372 ( 0.000 0.000 -0.226) 0.226 42.463 ( 0.000 0.000 0.024) 0.024 42.495 ( 0.000 0.000 -1.097) 1.097 42.968 ( 0.000 0.000 2.353) 2.353 43.067 ( 0.000 0.000 0.145) 0.145 43.515 ( 0.000 0.000 8.026) 8.026 44.042 ( 0.000 0.000 -7.028) 7.028 44.172 ( 0.000 0.000 4.346) 4.346 44.615 ( 0.000 0.000 -7.569) 7.569 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 8.719 0.000 25.803) 27.236 1.348 ( 15.959 0.000 23.007) 28.000 2.228 ( 23.678 0.000 36.229) 43.280 2.577 ( 3.880 0.000 -14.807) 15.307 2.705 ( 0.169 0.000 -13.921) 13.922 3.346 ( -2.582 0.000 3.779) 4.577 3.453 ( -11.983 0.000 6.964) 13.860 3.664 ( 12.867 0.000 5.953) 14.177 3.945 ( 13.771 0.000 -4.703) 14.552 4.061 ( -8.818 0.000 -4.892) 10.084 4.233 ( 2.810 0.000 2.145) 3.535 4.358 ( 2.402 0.000 -1.066) 2.628 4.482 ( 5.145 0.000 -0.748) 5.199 4.873 ( -1.931 0.000 -18.201) 18.303 5.036 ( 6.813 0.000 0.174) 6.815 5.239 ( 1.902 0.000 -4.080) 4.501 5.269 ( -4.794 0.000 6.887) 8.391 5.467 ( 5.653 0.000 -0.345) 5.664 5.743 ( 10.408 0.000 5.899) 11.963 5.816 ( -0.365 0.000 -4.398) 4.413 5.898 ( 1.552 0.000 -5.314) 5.536 6.085 ( 1.236 0.000 -4.678) 4.839 6.331 ( -0.572 0.000 -1.284) 1.406 6.405 ( -0.198 0.000 -0.126) 0.235 6.610 ( 8.493 0.000 -0.059) 8.493 6.643 ( 8.655 0.000 1.879) 8.857 7.065 ( -4.491 0.000 -0.965) 4.593 7.072 ( -5.798 0.000 -0.845) 5.859 7.392 ( 6.634 0.000 0.517) 6.654 7.455 ( 2.389 0.000 -2.035) 3.139 7.717 ( 2.886 0.000 -1.387) 3.202 7.788 ( 5.607 0.000 -0.260) 5.613 8.050 ( 0.179 0.000 11.179) 11.180 8.370 ( 0.593 0.000 -0.271) 0.652 9.456 ( -8.009 0.000 1.345) 8.121 9.578 ( -17.930 0.000 -2.192) 18.063 18.952 ( 1.479 0.000 -0.027) 1.479 18.967 ( 1.356 0.000 -0.311) 1.391 19.595 ( -0.810 0.000 1.329) 1.556 19.691 ( -1.404 0.000 -1.366) 1.959 20.748 ( 4.770 0.000 0.675) 4.818 20.800 ( 3.953 0.000 -1.084) 4.099 21.460 ( -1.535 0.000 0.112) 1.539 21.467 ( -1.119 0.000 -0.065) 1.121 24.435 ( -1.711 0.000 3.096) 3.537 24.609 ( -0.454 0.000 -2.238) 2.283 24.964 ( -3.093 0.000 2.443) 3.942 25.064 ( -0.743 0.000 -1.110) 1.336 32.055 ( -2.434 0.000 0.352) 2.459 32.064 ( -1.820 0.000 -0.008) 1.820 32.350 ( -0.956 0.000 0.105) 0.962 32.359 ( -1.116 0.000 -0.126) 1.123 42.552 ( 4.843 0.000 -0.553) 4.874 42.600 ( 4.254 0.000 -3.440) 5.471 42.994 ( 3.287 0.000 3.991) 5.170 43.215 ( 10.280 0.000 0.821) 10.313 43.567 ( 4.984 0.000 8.023) 9.445 44.015 ( 6.578 0.000 -6.649) 9.353 44.500 ( 25.433 0.000 -16.287) 30.201 44.548 ( -6.540 0.000 -6.942) 9.537 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 15.580 0.000 19.192) 24.720 1.639 ( 13.431 0.000 20.008) 24.098 2.620 ( 5.466 0.000 3.148) 6.308 2.676 ( 6.177 0.000 -10.931) 12.556 2.875 ( 20.029 0.000 5.921) 20.886 3.266 ( -1.135 0.000 7.102) 7.192 3.334 ( 0.608 0.000 1.507) 1.625 3.875 ( -6.235 0.000 -1.410) 6.392 3.948 ( 12.461 0.000 5.606) 13.664 4.058 ( -1.482 0.000 0.611) 1.603 4.374 ( -1.197 0.000 -0.865) 1.477 4.385 ( 4.747 0.000 0.704) 4.799 4.647 ( 17.519 0.000 -7.741) 19.153 4.818 ( -3.209 0.000 -13.812) 14.179 5.129 ( 1.721 0.000 2.695) 3.198 5.275 ( 1.546 0.000 -0.686) 1.692 5.293 ( 7.254 0.000 -1.481) 7.404 5.544 ( 0.508 0.000 -7.758) 7.775 5.785 ( -2.404 0.000 3.858) 4.546 5.830 ( 1.421 0.000 -2.065) 2.507 6.084 ( -0.859 0.000 2.809) 2.938 6.086 ( 14.488 0.000 3.567) 14.921 6.380 ( 4.463 0.000 -4.168) 6.106 6.441 ( 4.095 0.000 0.700) 4.154 6.778 ( 5.246 0.000 2.156) 5.672 6.796 ( 8.963 0.000 -1.607) 9.106 6.988 ( -2.412 0.000 1.032) 2.623 7.051 ( 3.587 0.000 -0.967) 3.715 7.473 ( -0.117 0.000 -2.166) 2.169 7.475 ( 2.003 0.000 -1.461) 2.479 7.808 ( 6.137 0.000 0.740) 6.181 7.898 ( 4.955 0.000 4.728) 6.849 8.061 ( 1.209 0.000 8.456) 8.542 8.364 ( -1.532 0.000 1.115) 1.895 9.205 ( -19.007 0.000 -5.714) 19.847 9.269 ( -10.124 0.000 -2.227) 10.366 18.984 ( 1.692 0.000 -0.089) 1.695 19.001 ( 1.958 0.000 -0.424) 2.003 19.579 ( -0.742 0.000 1.047) 1.283 19.668 ( -0.796 0.000 -1.659) 1.840 20.867 ( 6.965 0.000 0.203) 6.968 20.879 ( 3.837 0.000 -0.264) 3.846 21.428 ( -1.580 0.000 -0.007) 1.580 21.441 ( -1.375 0.000 -0.241) 1.396 24.403 ( -1.379 0.000 3.579) 3.836 24.597 ( -0.701 0.000 -2.373) 2.475 24.915 ( -1.895 0.000 2.826) 3.402 25.046 ( -1.033 0.000 -1.416) 1.753 32.010 ( -2.026 0.000 -0.084) 2.028 32.020 ( -2.583 0.000 -0.189) 2.590 32.325 ( -1.494 0.000 0.092) 1.497 32.335 ( -1.363 0.000 -0.180) 1.374 42.580 ( -4.115 0.000 -0.923) 4.217 42.630 ( 2.461 0.000 -1.633) 2.953 43.118 ( 9.287 0.000 9.538) 13.312 43.251 ( -4.930 0.000 9.929) 11.085 43.678 ( 5.327 0.000 6.914) 8.728 44.297 ( 18.766 0.000 -13.087) 22.879 44.390 ( -8.569 0.000 -4.165) 9.527 44.994 ( 21.839 0.000 -32.419) 39.089 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 6.661 0.000 15.412) 16.790 1.848 ( 17.628 0.000 12.937) 21.865 2.654 ( 1.270 0.000 7.681) 7.785 2.801 ( 5.900 0.000 -8.234) 10.130 2.983 ( -0.381 0.000 -7.192) 7.202 3.348 ( 0.938 0.000 -3.745) 3.861 3.598 ( 21.272 0.000 12.157) 24.501 3.749 ( -4.573 0.000 0.270) 4.581 3.988 ( -5.023 0.000 5.355) 7.342 4.215 ( 8.954 0.000 9.432) 13.005 4.300 ( -2.842 0.000 0.849) 2.966 4.410 ( 2.538 0.000 -3.437) 4.272 4.780 ( -0.218 0.000 -7.991) 7.994 5.016 ( 13.255 0.000 -12.162) 17.989 5.177 ( 5.660 0.000 -0.094) 5.660 5.290 ( -0.081 0.000 1.723) 1.725 5.453 ( 8.061 0.000 -4.943) 9.456 5.502 ( -3.670 0.000 -10.017) 10.668 5.789 ( 4.205 0.000 3.529) 5.490 5.797 ( -4.905 0.000 1.091) 5.025 6.104 ( 2.741 0.000 3.299) 4.289 6.290 ( 4.793 0.000 2.883) 5.594 6.507 ( 8.065 0.000 0.412) 8.075 6.548 ( 6.410 0.000 3.436) 7.273 6.866 ( 3.830 0.000 0.358) 3.846 6.911 ( 2.403 0.000 -0.389) 2.434 6.981 ( 2.681 0.000 3.759) 4.617 7.156 ( 5.052 0.000 0.933) 5.138 7.469 ( 0.073 0.000 -2.617) 2.618 7.504 ( 2.040 0.000 -5.324) 5.701 7.923 ( 5.173 0.000 1.027) 5.274 7.963 ( 1.612 0.000 7.423) 7.596 8.112 ( 4.264 0.000 4.254) 6.023 8.313 ( -3.289 0.000 4.702) 5.738 8.863 ( -16.278 0.000 -9.343) 18.769 9.104 ( -6.257 0.000 -5.369) 8.245 19.015 ( 1.455 0.000 -0.065) 1.457 19.037 ( 1.716 0.000 -0.603) 1.819 19.570 ( -0.234 0.000 0.964) 0.992 19.658 ( -0.314 0.000 -1.711) 1.739 20.943 ( 2.766 0.000 0.871) 2.900 20.997 ( 5.958 0.000 -0.639) 5.992 21.403 ( -0.994 0.000 -0.016) 0.995 21.420 ( -0.603 0.000 -0.387) 0.717 24.383 ( -0.767 0.000 3.403) 3.488 24.584 ( -0.670 0.000 -2.500) 2.588 24.888 ( -0.925 0.000 2.447) 2.616 25.027 ( -0.874 0.000 -1.649) 1.866 31.972 ( -2.194 0.000 -0.220) 2.205 31.978 ( -1.324 0.000 -0.612) 1.459 32.296 ( -1.478 0.000 0.130) 1.484 32.309 ( -1.272 0.000 -0.253) 1.297 42.489 ( -4.592 0.000 1.458) 4.818 42.657 ( 0.930 0.000 -3.325) 3.453 43.118 ( -7.507 0.000 11.019) 13.333 43.313 ( 9.662 0.000 14.238) 17.207 43.715 ( -2.585 0.000 2.233) 3.416 44.278 ( -1.665 0.000 3.223) 3.628 44.663 ( 18.315 0.000 -14.423) 23.312 45.287 ( 8.584 0.000 -30.887) 32.057 ======================= Grid point 202 (65/120) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.718 0.000 11.743) 11.765 2.164 ( 13.883 0.000 9.250) 16.682 2.713 ( 4.167 0.000 12.727) 13.392 2.854 ( -1.097 0.000 -10.891) 10.946 3.012 ( 2.800 0.000 -10.168) 10.546 3.414 ( 6.718 0.000 -3.662) 7.651 3.694 ( -1.818 0.000 2.367) 2.985 3.802 ( -0.856 0.000 18.585) 18.605 3.903 ( -1.139 0.000 1.626) 1.985 4.064 ( -11.713 0.000 -0.044) 11.713 4.499 ( 11.477 0.000 12.144) 16.709 4.546 ( 9.218 0.000 -9.796) 13.451 4.794 ( 0.628 0.000 -0.508) 0.808 5.105 ( 0.674 0.000 -5.470) 5.511 5.270 ( -1.840 0.000 -0.078) 1.841 5.324 ( 5.404 0.000 -5.894) 7.996 5.431 ( -3.095 0.000 -5.633) 6.427 5.615 ( 8.645 0.000 -7.095) 11.184 5.694 ( -4.542 0.000 2.096) 5.002 5.908 ( 5.066 0.000 1.163) 5.198 6.161 ( 2.820 0.000 3.058) 4.159 6.345 ( 2.992 0.000 -1.226) 3.234 6.591 ( 0.361 0.000 4.412) 4.427 6.660 ( 4.186 0.000 1.216) 4.359 6.868 ( -2.465 0.000 -0.088) 2.467 6.890 ( -3.246 0.000 6.132) 6.938 7.164 ( 13.614 0.000 0.877) 13.642 7.221 ( 1.965 0.000 -1.625) 2.550 7.472 ( -0.619 0.000 -2.222) 2.306 7.552 ( 2.203 0.000 -6.830) 7.176 7.970 ( 0.158 0.000 8.058) 8.060 8.006 ( 3.311 0.000 0.393) 3.334 8.209 ( 4.806 0.000 0.609) 4.844 8.251 ( -3.318 0.000 9.060) 9.649 8.584 ( -11.596 0.000 -8.848) 14.586 9.026 ( -2.176 0.000 -6.984) 7.315 19.038 ( 0.861 0.000 -0.084) 0.865 19.064 ( 0.961 0.000 -0.753) 1.221 19.568 ( 0.048 0.000 1.005) 1.006 19.655 ( -0.111 0.000 -1.545) 1.549 20.984 ( 1.415 0.000 1.538) 2.090 21.085 ( 2.959 0.000 -1.344) 3.250 21.390 ( -0.378 0.000 0.146) 0.405 21.418 ( 0.279 0.000 -0.558) 0.624 24.372 ( -0.340 0.000 3.182) 3.200 24.573 ( -0.402 0.000 -2.575) 2.606 24.876 ( -0.390 0.000 2.178) 2.213 25.014 ( -0.478 0.000 -1.760) 1.824 31.939 ( -1.183 0.000 -0.142) 1.192 31.959 ( -0.654 0.000 -0.853) 1.075 32.272 ( -0.923 0.000 0.182) 0.941 32.288 ( -0.784 0.000 -0.303) 0.841 42.416 ( -2.691 0.000 3.423) 4.354 42.677 ( 1.022 0.000 -4.306) 4.425 42.993 ( -4.841 0.000 9.716) 10.855 43.460 ( 4.955 0.000 11.525) 12.545 43.614 ( -5.524 0.000 3.698) 6.647 44.303 ( 2.565 0.000 8.970) 9.329 44.990 ( 15.017 0.000 -16.761) 22.504 45.347 ( -1.896 0.000 -25.571) 25.641 ======================= Grid point 203 (66/120) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 0.000 10.998) 10.998 2.319 ( 0.000 0.000 9.317) 9.317 2.763 ( 0.000 0.000 11.799) 11.799 2.818 ( 0.000 0.000 -14.873) 14.873 3.050 ( 0.000 0.000 -9.545) 9.545 3.537 ( -0.000 0.000 7.778) 7.778 3.656 ( 0.000 0.000 -10.464) 10.464 3.754 ( 0.000 0.000 20.543) 20.543 3.905 ( 0.000 0.000 0.706) 0.706 3.917 ( 0.000 0.000 4.044) 4.044 4.636 ( 0.000 0.000 9.893) 9.893 4.650 ( 0.000 0.000 -11.329) 11.329 4.789 ( 0.000 0.000 6.528) 6.528 5.108 ( 0.000 0.000 -4.918) 4.918 5.244 ( 0.000 0.000 -4.167) 4.167 5.373 ( 0.000 0.000 -6.234) 6.234 5.399 ( 0.000 0.000 -0.917) 0.917 5.647 ( 0.000 0.000 1.335) 1.335 5.723 ( 0.000 0.000 -7.116) 7.116 5.942 ( 0.000 0.000 0.897) 0.897 6.194 ( 0.000 0.000 4.127) 4.127 6.398 ( -0.000 0.000 -0.998) 0.998 6.576 ( 0.000 0.000 1.615) 1.615 6.695 ( 0.000 0.000 -4.714) 4.714 6.834 ( 0.000 0.000 0.171) 0.171 6.852 ( 0.000 0.000 12.285) 12.285 7.239 ( 0.000 0.000 -3.795) 3.795 7.383 ( -0.000 0.000 -5.533) 5.533 7.402 ( 0.000 0.000 1.961) 1.961 7.575 ( 0.000 0.000 -6.331) 6.331 7.990 ( 0.000 0.000 6.623) 6.623 8.040 ( 0.000 0.000 0.501) 0.501 8.193 ( 0.000 0.000 14.020) 14.020 8.262 ( 0.000 0.000 -0.897) 0.897 8.466 ( 0.000 0.000 -8.248) 8.248 9.007 ( 0.000 0.000 -7.502) 7.502 19.046 ( 0.000 0.000 -0.098) 0.098 19.073 ( 0.000 0.000 -0.807) 0.807 19.569 ( 0.000 0.000 1.034) 1.034 19.653 ( 0.000 0.000 -1.451) 1.451 20.998 ( 0.000 0.000 1.734) 1.734 21.112 ( 0.000 0.000 -1.566) 1.566 21.386 ( 0.000 0.000 0.247) 0.247 21.423 ( 0.000 0.000 -0.682) 0.682 24.369 ( 0.000 0.000 3.099) 3.099 24.569 ( 0.000 0.000 -2.598) 2.598 24.872 ( 0.000 0.000 2.092) 2.092 25.009 ( 0.000 0.000 -1.789) 1.789 31.927 ( 0.000 0.000 -0.094) 0.094 31.952 ( 0.000 0.000 -0.911) 0.911 32.262 ( 0.000 0.000 0.204) 0.204 32.280 ( 0.000 0.000 -0.324) 0.324 42.390 ( 0.000 0.000 4.244) 4.244 42.689 ( 0.000 0.000 -4.642) 4.642 42.944 ( 0.000 0.000 8.966) 8.966 43.495 ( -0.000 0.000 -5.917) 5.917 43.566 ( 0.000 0.000 21.359) 21.359 44.333 ( 0.000 0.000 10.226) 10.226 45.224 ( 0.000 0.000 -14.356) 14.356 45.240 ( -0.000 0.000 -26.845) 26.845 ======================= Grid point 209 (67/120) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 7.473 25.141) 26.229 1.285 ( 0.000 9.858 25.145) 27.008 2.180 ( 0.000 17.154 36.298) 40.148 2.535 ( 0.000 -0.580 -15.587) 15.598 2.725 ( 0.000 2.594 -15.184) 15.404 3.378 ( 0.000 -5.017 4.454) 6.709 3.407 ( 0.000 -4.333 7.652) 8.794 3.668 ( 0.000 4.580 4.859) 6.678 3.748 ( 0.000 -2.717 -4.825) 5.538 4.173 ( 0.000 -0.086 -2.635) 2.637 4.196 ( 0.000 -0.425 0.204) 0.471 4.355 ( 0.000 2.571 -2.144) 3.347 4.368 ( 0.000 -3.936 -0.250) 3.944 4.855 ( 0.000 -2.630 -12.260) 12.539 5.001 ( 0.000 4.274 3.117) 5.290 5.241 ( 0.000 2.314 -5.199) 5.691 5.311 ( 0.000 -1.866 -1.031) 2.132 5.516 ( 0.000 6.908 1.339) 7.036 5.567 ( 0.000 -1.098 6.673) 6.763 5.764 ( 0.000 -6.142 -8.270) 10.301 5.821 ( 0.000 -0.053 -2.206) 2.206 6.148 ( 0.000 0.791 -7.804) 7.844 6.350 ( 0.000 -4.264 6.362) 7.659 6.360 ( 0.000 2.545 -0.054) 2.546 6.546 ( 0.000 3.183 0.486) 3.220 6.631 ( 0.000 6.045 -6.620) 8.965 7.117 ( 0.000 2.403 2.442) 3.426 7.301 ( 0.000 1.923 1.295) 2.318 7.384 ( 0.000 14.199 -3.726) 14.680 7.387 ( 0.000 -1.678 -1.056) 1.983 7.684 ( 0.000 -0.659 -1.773) 1.892 7.732 ( 0.000 0.606 -3.106) 3.165 8.043 ( 0.000 -0.855 12.137) 12.167 8.364 ( 0.000 0.537 -0.052) 0.540 9.388 ( 0.000 -14.451 4.783) 15.222 9.653 ( 0.000 -11.430 -3.037) 11.826 18.936 ( 0.000 0.057 0.206) 0.214 18.953 ( 0.000 -0.041 -0.269) 0.272 19.612 ( 0.000 0.579 1.236) 1.365 19.711 ( 0.000 0.169 -1.323) 1.334 20.698 ( 0.000 -0.079 0.771) 0.775 20.753 ( 0.000 -0.067 -0.763) 0.766 21.473 ( 0.000 -0.280 0.330) 0.433 21.498 ( 0.000 1.274 -0.677) 1.442 24.435 ( 0.000 -1.625 3.170) 3.563 24.615 ( 0.000 -0.002 -2.417) 2.417 24.966 ( 0.000 -2.631 2.509) 3.636 25.080 ( 0.000 0.161 -1.600) 1.608 32.070 ( 0.000 -0.546 0.590) 0.804 32.090 ( 0.000 0.226 -0.193) 0.298 32.359 ( 0.000 0.328 0.447) 0.554 32.407 ( 0.000 2.093 -0.708) 2.210 42.415 ( 0.000 -3.436 0.912) 3.555 42.517 ( 0.000 0.949 -2.217) 2.411 42.937 ( 0.000 0.060 4.208) 4.208 43.195 ( 0.000 5.961 0.043) 5.961 43.523 ( 0.000 0.816 8.319) 8.359 44.060 ( 0.000 1.757 -7.085) 7.300 44.478 ( 0.000 23.624 -10.785) 25.970 44.740 ( 0.000 13.656 -11.427) 17.806 ======================= Grid point 210 (68/120) ======================= q-point: ( 0.10 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 8.840 7.949 22.664) 25.593 1.443 ( 16.321 8.734 20.400) 27.546 2.366 ( 17.450 11.631 26.313) 33.647 2.590 ( 6.031 2.221 -9.631) 11.578 2.723 ( 0.962 2.741 -12.883) 13.206 3.297 ( -3.173 -3.690 5.673) 7.475 3.471 ( -3.810 0.788 6.948) 7.963 3.668 ( 7.413 0.286 3.209) 8.083 3.866 ( 7.671 -6.209 -5.348) 11.224 4.107 ( -1.792 3.544 -1.193) 4.147 4.236 ( -0.063 -0.257 -1.081) 1.113 4.336 ( 3.223 -1.754 -0.946) 3.790 4.476 ( 6.259 -0.381 -1.606) 6.473 4.853 ( -0.417 -2.141 -10.815) 11.033 5.065 ( 5.047 3.193 0.915) 6.041 5.203 ( -1.586 -0.030 -2.848) 3.260 5.372 ( 1.798 5.209 -2.089) 5.893 5.457 ( 1.612 0.820 1.837) 2.578 5.706 ( 5.461 -4.406 -0.027) 7.017 5.777 ( 5.237 -0.454 0.386) 5.271 5.903 ( 5.819 0.247 -4.054) 7.096 6.112 ( -1.777 0.856 -3.111) 3.684 6.366 ( 1.097 -0.477 0.671) 1.371 6.394 ( 2.220 2.153 -1.487) 3.431 6.598 ( 5.641 0.083 1.735) 5.902 6.675 ( 4.606 2.907 -4.133) 6.837 7.048 ( -4.196 1.843 1.665) 4.876 7.193 ( -6.854 5.902 -1.656) 9.196 7.399 ( 3.005 0.368 0.406) 3.054 7.523 ( 5.454 7.352 -2.367) 9.455 7.714 ( 2.824 -0.238 -0.578) 2.892 7.784 ( 5.217 -0.384 0.568) 5.262 8.043 ( 0.115 -0.873 11.064) 11.099 8.371 ( 0.431 0.321 -0.705) 0.886 9.282 ( -10.502 -14.452 3.533) 18.211 9.531 ( -10.575 -6.529 -4.249) 13.135 18.949 ( 1.176 -0.147 0.193) 1.201 18.972 ( 1.839 0.306 -0.538) 1.940 19.601 ( -0.961 0.486 1.163) 1.585 19.691 ( -1.577 0.074 -1.219) 1.995 20.749 ( 4.751 0.119 0.515) 4.780 20.795 ( 3.920 -0.466 -0.872) 4.043 21.453 ( -1.800 -0.397 0.442) 1.896 21.481 ( -1.511 0.868 -0.465) 1.803 24.421 ( -1.183 -1.117 3.472) 3.834 24.609 ( -0.512 -0.037 -2.402) 2.456 24.943 ( -1.849 -1.547 2.836) 3.723 25.068 ( -1.003 0.139 -1.479) 1.793 32.050 ( -1.818 -0.159 0.515) 1.896 32.069 ( -1.960 0.321 -0.132) 1.990 32.348 ( -0.964 0.290 0.345) 1.064 32.388 ( -1.639 1.861 -0.444) 2.519 42.487 ( 3.681 -5.079 0.064) 6.272 42.556 ( 2.699 -3.925 -2.452) 5.357 42.978 ( 4.443 0.520 6.000) 7.485 43.253 ( 3.378 1.252 3.409) 4.960 43.578 ( 5.786 1.743 7.798) 9.865 44.068 ( 2.412 1.413 -7.652) 8.146 44.586 ( 3.790 12.224 -10.716) 16.692 44.813 ( 12.421 20.105 -21.523) 31.964 ======================= Grid point 211 (69/120) ======================= q-point: ( 0.20 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 13.749 6.122 18.586) 23.916 1.763 ( 15.819 11.041 15.459) 24.721 2.571 ( 2.737 -1.650 -1.966) 3.752 2.773 ( 6.498 6.108 -8.627) 12.408 2.910 ( 17.341 4.010 7.269) 19.226 3.254 ( 1.210 -0.978 8.016) 8.165 3.403 ( 1.153 6.692 2.370) 7.193 3.875 ( 4.128 -2.427 4.170) 6.350 3.897 ( 3.905 -2.916 -0.846) 4.946 4.070 ( -1.397 2.369 0.461) 2.789 4.340 ( 4.303 -2.858 1.721) 5.445 4.392 ( 2.612 -0.238 -3.304) 4.218 4.650 ( 14.495 0.356 -6.709) 15.977 4.836 ( -0.801 0.497 -9.821) 9.866 5.112 ( 0.260 0.124 0.626) 0.689 5.246 ( 5.159 -0.970 -0.804) 5.311 5.391 ( 1.739 6.755 -1.477) 7.130 5.497 ( -0.197 -2.709 -4.502) 5.258 5.779 ( 1.628 -0.600 -1.658) 2.399 5.845 ( 1.022 0.761 2.174) 2.520 6.065 ( 10.690 0.838 -0.128) 10.724 6.164 ( 5.675 3.718 4.383) 8.077 6.320 ( -0.461 -2.181 -2.617) 3.438 6.513 ( 6.098 3.478 0.202) 7.023 6.697 ( 5.541 -5.439 2.266) 8.088 6.816 ( 7.139 1.591 -3.606) 8.155 6.994 ( -1.462 1.503 1.251) 2.441 7.127 ( 1.069 4.659 -1.012) 4.886 7.432 ( 0.483 -0.958 0.033) 1.074 7.563 ( -0.293 5.167 -2.095) 5.583 7.811 ( 5.962 0.185 1.425) 6.133 7.885 ( 4.605 -0.922 5.231) 7.030 8.059 ( 1.815 -0.209 7.573) 7.790 8.362 ( -1.731 -0.170 0.738) 1.889 9.026 ( -14.420 -11.995 -1.489) 18.816 9.315 ( -10.663 -0.968 -7.063) 12.827 18.976 ( 1.564 -0.347 0.301) 1.631 19.013 ( 2.161 0.795 -0.830) 2.448 19.582 ( -0.855 0.296 0.972) 1.328 19.665 ( -0.952 -0.300 -1.415) 1.732 20.854 ( 5.142 -0.791 0.485) 5.225 20.889 ( 5.623 0.423 -0.712) 5.684 21.417 ( -1.557 -0.715 0.412) 1.762 21.448 ( -1.723 0.344 -0.364) 1.795 24.398 ( -1.081 -0.441 3.589) 3.774 24.597 ( -0.719 -0.075 -2.441) 2.545 24.910 ( -1.458 -0.409 2.751) 3.140 25.047 ( -1.113 0.033 -1.549) 1.908 32.011 ( -1.966 0.185 0.064) 1.976 32.023 ( -2.576 0.312 -0.190) 2.601 32.325 ( -1.330 0.246 0.159) 1.361 32.353 ( -1.942 1.284 -0.268) 2.344 42.488 ( -2.926 -6.270 0.192) 6.922 42.594 ( 1.087 -5.356 -2.515) 6.016 43.097 ( 5.774 -1.438 10.677) 12.223 43.256 ( -1.092 0.089 8.435) 8.506 43.708 ( 5.536 3.315 7.311) 9.752 44.134 ( 2.622 -7.972 -5.824) 10.215 44.635 ( 5.700 16.053 -9.929) 19.718 45.140 ( 16.314 12.209 -32.096) 38.018 ======================= Grid point 212 (70/120) ======================= q-point: ( 0.30 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 10.019 3.174 14.927) 18.255 2.056 ( 14.731 14.846 10.340) 23.331 2.606 ( 2.643 -2.475 5.676) 6.733 2.899 ( 5.088 7.129 -4.919) 10.045 3.009 ( 0.524 2.399 -6.722) 7.156 3.363 ( 4.461 -0.203 0.030) 4.466 3.528 ( 5.226 -0.456 5.214) 7.396 3.860 ( 0.620 4.750 -2.421) 5.367 3.954 ( -0.230 -0.073 7.643) 7.647 4.194 ( 9.654 -1.986 8.368) 12.929 4.356 ( 0.539 2.926 3.997) 4.983 4.415 ( 1.637 1.106 -3.197) 3.758 4.801 ( 1.011 1.487 -8.799) 8.981 5.012 ( 15.029 -1.388 -10.717) 18.510 5.132 ( 1.889 -1.606 1.764) 3.042 5.318 ( 1.366 0.798 -0.038) 1.583 5.427 ( -0.001 -1.725 -4.519) 4.837 5.492 ( 2.718 0.282 -5.739) 6.356 5.744 ( -1.603 1.209 -0.201) 2.018 5.898 ( 2.034 3.479 -0.150) 4.033 6.152 ( 1.156 4.932 2.784) 5.780 6.306 ( 5.441 1.243 2.352) 6.056 6.415 ( 8.271 -4.665 2.536) 9.829 6.625 ( 6.139 2.301 1.599) 6.749 6.804 ( 3.125 -4.050 0.518) 5.141 6.908 ( 4.639 -0.079 1.603) 4.909 6.986 ( 0.496 0.674 1.130) 1.406 7.201 ( 4.065 3.152 1.255) 5.295 7.439 ( 0.916 -1.726 -0.412) 1.997 7.561 ( 0.802 3.985 -4.949) 6.404 7.893 ( 2.301 -2.693 3.603) 5.053 7.964 ( 3.343 -0.353 4.078) 5.285 8.117 ( 4.150 0.606 3.987) 5.786 8.310 ( -3.022 -0.209 3.976) 4.998 8.762 ( -12.391 -7.367 -6.217) 15.699 9.141 ( -6.948 1.305 -8.275) 10.883 19.006 ( 1.406 -0.466 0.340) 1.519 19.050 ( 1.599 0.857 -0.911) 2.031 19.571 ( -0.340 0.104 0.891) 0.959 19.655 ( -0.151 -0.328 -1.593) 1.633 20.934 ( 3.208 -0.865 1.009) 3.472 20.999 ( 5.085 0.124 -0.884) 5.162 21.398 ( -0.527 -0.402 0.117) 0.673 21.421 ( -0.763 0.029 -0.301) 0.821 24.381 ( -0.653 -0.112 3.372) 3.437 24.583 ( -0.655 -0.061 -2.519) 2.603 24.888 ( -0.815 -0.022 2.389) 2.524 25.027 ( -0.882 0.005 -1.688) 1.904 31.973 ( -2.101 0.175 -0.171) 2.115 31.980 ( -1.486 0.245 -0.480) 1.581 32.299 ( -1.295 0.356 0.069) 1.345 32.317 ( -1.653 0.732 -0.220) 1.821 42.413 ( -4.147 -6.358 1.742) 7.788 42.603 ( 0.198 -5.924 -3.521) 6.894 43.071 ( -5.831 -3.617 10.062) 12.179 43.345 ( 7.415 1.048 11.335) 13.585 43.724 ( -3.856 1.846 3.545) 5.554 44.190 ( 4.502 -5.153 5.478) 8.765 44.834 ( 13.280 13.692 -13.806) 23.547 45.368 ( 6.874 7.078 -29.858) 31.446 ======================= Grid point 213 (71/120) ======================= q-point: ( 0.40 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.597 3.747 12.783) 13.334 2.332 ( 12.817 14.712 7.284) 20.827 2.708 ( 7.040 0.296 9.426) 11.769 2.904 ( -3.203 3.945 -6.645) 8.365 3.086 ( 5.517 6.823 -8.065) 11.917 3.411 ( -1.450 -3.746 1.183) 4.187 3.562 ( 3.624 -1.972 2.154) 4.653 3.795 ( -5.469 -1.921 -1.979) 6.125 3.978 ( 0.001 5.274 7.462) 9.138 4.164 ( -7.761 5.199 5.705) 10.946 4.503 ( 8.327 1.303 3.275) 9.042 4.553 ( 12.262 -0.236 1.268) 12.329 4.828 ( 0.702 3.554 -1.797) 4.044 5.141 ( -0.137 -1.133 1.276) 1.712 5.178 ( 0.229 -1.308 -4.642) 4.828 5.337 ( 1.595 -1.317 -3.793) 4.320 5.413 ( 0.288 -1.428 -6.508) 6.669 5.595 ( 6.393 -0.959 -5.274) 8.343 5.731 ( -0.674 3.361 -1.814) 3.879 5.939 ( 2.269 2.936 0.106) 3.712 6.186 ( 1.978 1.978 2.116) 3.508 6.367 ( 2.625 2.085 -0.644) 3.414 6.532 ( 3.104 -3.328 3.140) 5.529 6.715 ( 0.375 1.767 -1.280) 2.214 6.822 ( 0.866 -3.565 4.029) 5.449 6.896 ( -2.552 1.275 4.438) 5.276 7.137 ( 10.680 -1.821 0.577) 10.850 7.246 ( 1.889 1.494 0.495) 2.459 7.460 ( -0.087 -1.458 -1.168) 1.871 7.580 ( 0.520 2.326 -5.983) 6.440 7.918 ( 1.700 -3.520 6.584) 7.657 8.020 ( 2.185 -0.410 1.485) 2.674 8.206 ( 4.148 0.011 0.697) 4.206 8.252 ( -3.359 -0.422 6.880) 7.668 8.556 ( -8.149 -1.325 -6.784) 10.686 9.049 ( -2.795 1.363 -8.182) 8.753 19.028 ( 0.816 -0.583 0.298) 1.046 19.074 ( 0.809 0.618 -0.920) 1.372 19.568 ( -0.026 -0.061 0.949) 0.952 19.655 ( 0.124 0.057 -1.616) 1.622 20.980 ( 1.561 -0.477 1.470) 2.197 21.072 ( 2.383 -1.062 -1.151) 2.851 21.390 ( -0.357 -0.046 0.168) 0.397 21.423 ( 0.652 0.354 -0.590) 0.948 24.372 ( -0.302 0.016 3.161) 3.175 24.573 ( -0.387 -0.027 -2.575) 2.604 24.877 ( -0.366 0.078 2.148) 2.180 25.014 ( -0.474 0.014 -1.765) 1.828 31.940 ( -1.210 0.143 -0.105) 1.223 31.960 ( -0.687 0.124 -0.770) 1.039 32.278 ( -0.874 0.542 0.100) 1.033 32.292 ( -0.899 0.356 -0.244) 0.997 42.345 ( -2.589 -6.285 3.293) 7.554 42.610 ( 0.529 -6.849 -4.258) 8.082 42.964 ( -4.356 -2.581 8.527) 9.916 43.433 ( 0.610 -5.030 1.448) 5.270 43.646 ( -1.884 5.274 13.474) 14.591 44.287 ( 4.338 -0.728 11.126) 11.964 45.096 ( 12.853 9.545 -17.298) 23.570 45.413 ( -1.891 6.036 -24.946) 25.736 ======================= Grid point 214 (72/120) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.000 4.502 12.528) 13.312 2.481 ( 0.000 13.959 7.993) 16.086 2.805 ( 0.000 5.370 11.256) 12.472 2.842 ( -0.000 1.844 -13.581) 13.706 3.158 ( 0.000 10.167 -8.693) 13.377 3.357 ( 0.000 -13.665 10.946) 17.509 3.673 ( -0.000 -4.143 2.869) 5.040 3.694 ( 0.000 4.003 -10.006) 10.777 3.962 ( 0.000 5.164 6.967) 8.672 4.070 ( 0.000 6.824 7.117) 9.860 4.589 ( 0.000 -0.466 -2.733) 2.773 4.761 ( -0.000 -2.936 6.985) 7.577 4.770 ( 0.000 7.539 4.385) 8.722 5.122 ( 0.000 -7.087 0.645) 7.116 5.165 ( 0.000 5.366 -5.232) 7.495 5.352 ( 0.000 -4.525 -1.154) 4.669 5.427 ( 0.000 0.835 -8.871) 8.910 5.696 ( -0.000 -2.085 -7.217) 7.512 5.701 ( 0.000 5.843 -0.432) 5.859 5.960 ( 0.000 2.106 -0.566) 2.181 6.207 ( 0.000 0.810 3.709) 3.796 6.410 ( 0.000 1.334 -0.472) 1.415 6.557 ( 0.000 -1.958 0.366) 1.992 6.680 ( 0.000 -1.530 -4.954) 5.185 6.822 ( 0.000 -0.103 1.588) 1.591 6.893 ( 0.000 3.206 11.511) 11.949 7.217 ( 0.000 -1.849 -3.348) 3.825 7.364 ( 0.000 -3.302 1.567) 3.655 7.388 ( 0.000 -0.088 -5.178) 5.179 7.589 ( 0.000 0.632 -2.796) 2.866 7.979 ( 0.000 -1.009 6.701) 6.777 8.014 ( -0.000 -1.778 2.189) 2.820 8.194 ( 0.000 -1.096 8.749) 8.818 8.257 ( 0.000 -0.424 -1.130) 1.207 8.476 ( 0.000 2.164 -6.227) 6.593 9.023 ( 0.000 1.114 -8.147) 8.223 19.036 ( 0.000 -0.645 0.269) 0.699 19.081 ( 0.000 0.480 -0.916) 1.034 19.568 ( 0.000 -0.122 0.993) 1.000 19.657 ( 0.000 0.285 -1.604) 1.629 20.995 ( 0.000 -0.353 1.610) 1.648 21.094 ( 0.000 -1.552 -1.223) 1.976 21.386 ( 0.000 -0.049 0.300) 0.304 21.432 ( 0.000 0.699 -0.831) 1.086 24.369 ( 0.000 0.050 3.083) 3.083 24.569 ( 0.000 -0.011 -2.593) 2.593 24.873 ( 0.000 0.096 2.071) 2.073 25.009 ( 0.000 0.019 -1.786) 1.787 31.928 ( 0.000 0.111 -0.067) 0.130 31.953 ( 0.000 0.090 -0.853) 0.857 32.269 ( -0.000 0.587 0.132) 0.602 32.283 ( 0.000 0.266 -0.266) 0.376 42.319 ( 0.000 -6.290 3.951) 7.428 42.617 ( 0.000 -7.325 -4.537) 8.616 42.920 ( 0.000 -2.260 7.847) 8.167 43.419 ( 0.000 -7.272 -5.902) 9.366 43.642 ( 0.000 7.213 21.396) 22.579 44.332 ( 0.000 0.334 12.246) 12.251 45.305 ( 0.000 6.150 -26.376) 27.084 45.311 ( -0.000 7.933 -15.150) 17.101 ======================= Grid point 220 (73/120) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.000 12.397 19.788) 23.351 1.559 ( 0.000 16.972 18.493) 25.101 2.484 ( 0.000 -5.401 -10.651) 11.942 2.510 ( 0.000 12.703 16.527) 20.845 2.850 ( 0.000 10.208 -10.403) 14.575 3.296 ( 0.000 -2.548 0.880) 2.696 3.347 ( 0.000 -0.806 9.502) 9.537 3.667 ( 0.000 -4.812 -8.389) 9.671 3.761 ( 0.000 5.678 5.847) 8.150 4.140 ( 0.000 -4.591 -0.008) 4.591 4.215 ( 0.000 1.925 2.704) 3.319 4.299 ( 0.000 -1.735 -7.054) 7.265 4.384 ( 0.000 0.306 -0.980) 1.027 4.791 ( 0.000 -4.628 -7.567) 8.870 5.105 ( 0.000 5.607 2.211) 6.027 5.290 ( 0.000 2.342 -4.200) 4.809 5.301 ( 0.000 0.451 0.996) 1.093 5.542 ( 0.000 -1.222 7.483) 7.582 5.620 ( 0.000 3.075 -3.908) 4.973 5.764 ( 0.000 6.649 -5.236) 8.463 5.815 ( 0.000 -0.527 -1.521) 1.610 6.091 ( 0.000 -3.978 -0.241) 3.986 6.281 ( 0.000 -2.523 6.631) 7.095 6.480 ( 0.000 7.376 -8.123) 10.972 6.605 ( 0.000 2.870 -1.699) 3.335 6.709 ( 0.000 2.106 -10.286) 10.499 7.210 ( 0.000 6.137 7.930) 10.028 7.306 ( 0.000 -2.218 -0.698) 2.325 7.381 ( 0.000 1.644 -0.520) 1.724 7.635 ( 0.000 10.358 1.101) 10.416 7.670 ( 0.000 -0.597 -0.526) 0.795 7.744 ( 0.000 0.498 -2.594) 2.641 8.003 ( 0.000 -3.090 13.090) 13.450 8.394 ( 0.000 2.745 -1.379) 3.072 9.059 ( 0.000 -17.255 3.435) 17.593 9.386 ( 0.000 -15.405 -4.975) 16.189 18.937 ( 0.000 0.079 0.170) 0.187 18.952 ( 0.000 -0.059 -0.237) 0.245 19.620 ( 0.000 0.197 1.210) 1.226 19.716 ( 0.000 0.308 -1.330) 1.365 20.696 ( 0.000 -0.110 0.772) 0.780 20.751 ( 0.000 -0.094 -0.770) 0.775 21.466 ( 0.000 -0.328 0.757) 0.826 21.514 ( 0.000 0.314 -0.775) 0.836 24.406 ( 0.000 -1.160 3.717) 3.894 24.612 ( 0.000 -0.261 -2.627) 2.640 24.928 ( 0.000 -1.212 2.857) 3.103 25.075 ( 0.000 -0.490 -1.864) 1.927 32.069 ( 0.000 0.369 0.704) 0.795 32.097 ( 0.000 0.456 -0.061) 0.460 32.367 ( 0.000 0.452 0.636) 0.780 32.433 ( 0.000 0.494 -0.458) 0.674 42.347 ( 0.000 -3.344 1.825) 3.809 42.525 ( 0.000 -0.033 -3.646) 3.646 42.962 ( 0.000 2.052 6.571) 6.884 43.259 ( 0.000 1.495 3.724) 4.013 43.543 ( 0.000 1.109 8.990) 9.058 44.102 ( 0.000 2.389 -7.229) 7.614 44.832 ( 0.000 14.308 -10.846) 17.954 45.094 ( 0.000 16.701 -23.931) 29.182 ======================= Grid point 221 (74/120) ======================= q-point: ( 0.10 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 9.752 12.809 16.655) 23.164 1.668 ( 13.529 14.304 16.362) 25.600 2.476 ( 3.701 -1.883 -2.578) 4.887 2.719 ( 14.834 7.498 4.074) 17.113 2.843 ( 0.443 9.878 -5.841) 11.485 3.236 ( -2.052 -1.722 6.040) 6.608 3.484 ( 8.264 1.330 5.058) 9.780 3.677 ( 0.809 -1.100 -0.091) 1.369 3.775 ( 3.220 0.185 -0.933) 3.357 4.137 ( 3.111 -3.131 1.632) 4.706 4.228 ( -3.892 1.542 -4.907) 6.450 4.316 ( 4.611 -0.277 -2.242) 5.135 4.466 ( 6.995 -0.863 -1.883) 7.295 4.788 ( 0.037 -4.574 -6.799) 8.195 5.152 ( 3.039 4.783 1.089) 5.770 5.225 ( -2.033 1.689 -1.152) 2.883 5.408 ( 5.378 1.085 -1.556) 5.703 5.541 ( 0.800 4.069 3.147) 5.206 5.651 ( 2.977 0.462 -1.963) 3.596 5.804 ( 5.513 2.910 -0.029) 6.234 5.906 ( 7.003 0.282 -3.294) 7.745 6.096 ( 0.342 -2.145 0.103) 2.175 6.307 ( 2.987 -2.824 4.317) 5.961 6.493 ( 1.031 5.847 -5.843) 8.330 6.628 ( 0.930 2.795 -1.294) 3.217 6.731 ( 4.212 2.199 -8.399) 9.650 7.099 ( -6.323 2.523 4.051) 7.922 7.256 ( -5.433 0.785 -0.901) 5.562 7.425 ( 2.631 2.831 2.025) 4.363 7.674 ( -0.047 3.401 -0.721) 3.477 7.711 ( 3.472 1.346 0.778) 3.804 7.785 ( 6.175 1.875 2.590) 6.953 8.012 ( 1.093 -1.941 10.579) 10.811 8.391 ( -0.564 1.776 -1.333) 2.291 8.979 ( -7.663 -15.163 1.803) 17.084 9.330 ( -5.177 -13.217 -6.389) 15.566 18.948 ( 1.040 0.035 0.282) 1.078 18.975 ( 2.238 0.053 -0.587) 2.314 19.609 ( -1.022 0.225 1.126) 1.537 19.695 ( -1.818 0.309 -1.158) 2.177 20.751 ( 4.869 0.008 0.302) 4.879 20.785 ( 3.498 -0.537 -0.587) 3.587 21.446 ( -1.962 -0.360 0.854) 2.170 21.492 ( -1.960 0.246 -0.529) 2.045 24.401 ( -0.529 -0.889 3.683) 3.826 24.606 ( -0.505 -0.226 -2.588) 2.647 24.919 ( -0.778 -0.835 2.775) 3.000 25.066 ( -0.881 -0.332 -1.795) 2.027 32.054 ( -1.449 0.486 0.586) 1.637 32.077 ( -1.919 0.495 -0.019) 1.982 32.357 ( -0.982 0.478 0.515) 1.208 32.414 ( -1.742 0.648 -0.400) 1.901 42.387 ( 2.760 -4.796 1.163) 5.654 42.494 ( -2.679 -2.006 -2.361) 4.096 43.004 ( 3.861 1.450 7.542) 8.596 43.249 ( -1.283 -1.134 5.091) 5.372 43.625 ( 7.969 2.557 8.912) 12.226 44.084 ( -1.979 1.249 -6.470) 6.880 44.860 ( 2.708 14.386 -10.475) 18.000 45.175 ( 8.084 14.270 -26.920) 31.522 ======================= Grid point 222 (75/120) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 10.778 11.949 15.531) 22.364 2.001 ( 18.285 12.490 9.874) 24.246 2.553 ( 2.296 -1.215 -0.387) 2.626 2.904 ( 6.923 8.187 -8.048) 13.406 2.975 ( 7.050 -0.599 2.131) 7.389 3.251 ( 4.357 1.606 7.496) 8.818 3.571 ( 2.663 8.998 2.938) 9.833 3.808 ( 10.332 -2.163 5.134) 11.738 3.864 ( 6.474 0.082 0.108) 6.475 4.128 ( -3.990 1.040 -2.276) 4.710 4.277 ( 7.376 -2.013 0.357) 7.654 4.380 ( 2.315 -0.618 -3.798) 4.491 4.645 ( 11.340 -1.471 -5.602) 12.733 4.805 ( 2.343 -3.229 -6.244) 7.409 5.155 ( -1.473 2.669 -1.120) 3.248 5.238 ( 2.350 1.035 1.925) 3.209 5.472 ( 1.421 2.014 -1.350) 2.810 5.552 ( -0.573 7.619 -0.964) 7.702 5.765 ( 7.519 -0.554 -1.787) 7.749 5.872 ( -0.045 2.263 1.072) 2.504 6.078 ( 10.706 0.033 -2.557) 11.007 6.173 ( 8.384 -2.498 3.291) 9.346 6.330 ( -1.245 1.349 0.638) 1.944 6.549 ( 3.651 2.195 2.665) 5.025 6.657 ( 4.667 1.346 -1.922) 5.224 6.852 ( 4.875 1.986 -5.449) 7.576 7.018 ( -1.673 0.226 1.331) 2.149 7.186 ( -0.194 0.902 -1.826) 2.046 7.440 ( -1.063 2.030 3.529) 4.207 7.636 ( -1.842 1.427 2.211) 3.212 7.780 ( 2.411 -3.525 3.694) 5.647 7.913 ( 5.405 4.038 1.637) 6.942 8.055 ( 3.327 -0.016 6.291) 7.117 8.361 ( -2.557 0.080 0.510) 2.608 8.803 ( -9.334 -9.856 -2.151) 13.743 9.215 ( -6.044 -8.669 -8.996) 13.878 18.974 ( 1.504 0.032 0.523) 1.593 19.025 ( 2.500 0.374 -1.058) 2.740 19.588 ( -1.046 0.157 0.930) 1.408 19.661 ( -1.351 -0.032 -1.100) 1.743 20.841 ( 4.210 -0.530 0.557) 4.279 20.890 ( 6.479 -0.247 -1.062) 6.570 21.406 ( -1.702 -0.469 0.934) 1.997 21.451 ( -2.072 -0.014 -0.286) 2.092 24.389 ( -0.599 -0.429 3.525) 3.601 24.594 ( -0.690 -0.163 -2.549) 2.646 24.903 ( -0.866 -0.273 2.526) 2.685 25.046 ( -1.069 -0.137 -1.745) 2.051 32.019 ( -1.955 0.571 0.223) 2.049 32.031 ( -2.630 0.446 -0.026) 2.668 32.333 ( -1.349 0.479 0.280) 1.459 32.374 ( -2.258 0.734 -0.335) 2.398 42.379 ( -3.880 -4.674 0.507) 6.096 42.464 ( -0.278 -6.524 -1.534) 6.707 43.071 ( 0.593 -1.226 8.931) 9.034 43.229 ( 1.088 -3.218 6.517) 7.350 43.800 ( 7.384 5.344 9.374) 13.075 44.038 ( -0.921 -1.756 -1.529) 2.504 44.948 ( 6.660 15.376 -11.768) 20.476 45.361 ( 9.612 8.803 -29.040) 31.831 ======================= Grid point 223 (76/120) ======================= q-point: ( 0.30 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 8.563 9.866 14.029) 19.170 2.347 ( 16.720 13.202 5.654) 22.041 2.580 ( 2.488 -0.600 6.183) 6.692 2.994 ( -0.580 -0.654 -0.577) 1.047 3.088 ( 9.013 7.443 -6.882) 13.565 3.352 ( 3.985 1.374 4.102) 5.882 3.595 ( -0.181 4.448 -3.324) 5.556 3.913 ( -2.209 2.837 -4.514) 5.772 4.002 ( 4.880 3.245 9.336) 11.023 4.155 ( 7.994 -1.692 4.941) 9.549 4.355 ( 2.015 -1.593 3.018) 3.963 4.463 ( 6.088 2.405 -2.742) 7.097 4.800 ( 4.229 -1.998 -6.298) 7.844 4.947 ( 10.194 -4.677 -8.264) 13.931 5.156 ( 2.687 2.465 0.777) 3.728 5.287 ( 2.391 -1.210 2.448) 3.630 5.469 ( -1.461 4.786 -2.494) 5.591 5.537 ( -0.411 4.503 -3.582) 5.769 5.813 ( -0.308 4.885 -1.776) 5.207 5.932 ( 5.086 0.840 -2.578) 5.764 6.235 ( 0.141 0.645 1.242) 1.406 6.306 ( 7.354 -1.169 -0.538) 7.466 6.382 ( 7.524 2.249 6.168) 9.985 6.613 ( 3.879 -1.037 0.520) 4.048 6.767 ( 2.322 -0.139 0.504) 2.381 6.907 ( 5.254 -0.540 -1.608) 5.521 7.009 ( -0.547 1.165 3.058) 3.317 7.239 ( 3.199 -0.054 0.357) 3.219 7.409 ( -1.083 -0.616 4.581) 4.748 7.631 ( 1.156 2.696 -0.809) 3.043 7.824 ( 2.294 -4.256 2.643) 5.510 7.947 ( -1.150 -1.382 0.804) 1.970 8.137 ( 4.799 1.487 3.754) 6.272 8.306 ( -2.933 -0.273 2.495) 3.860 8.652 ( -5.837 -2.984 -4.575) 7.994 9.112 ( -4.393 -4.300 -9.984) 11.724 19.002 ( 1.329 0.042 0.675) 1.491 19.064 ( 1.449 0.504 -1.108) 1.892 19.572 ( -0.553 -0.042 0.825) 0.994 19.648 ( 0.016 -0.282 -1.379) 1.408 20.915 ( 3.341 -0.912 1.129) 3.643 20.999 ( 4.324 -0.086 -1.370) 4.536 21.391 ( 0.060 -0.301 0.464) 0.556 21.419 ( -0.902 -0.232 -0.063) 0.934 24.379 ( -0.428 -0.121 3.293) 3.323 24.581 ( -0.604 -0.096 -2.555) 2.627 24.888 ( -0.623 0.016 2.254) 2.339 25.027 ( -0.847 -0.035 -1.757) 1.951 31.979 ( -2.210 0.371 -0.019) 2.241 31.987 ( -1.640 0.366 -0.273) 1.703 32.308 ( -1.194 0.474 0.092) 1.288 32.332 ( -1.961 0.677 -0.255) 2.090 42.290 ( -4.612 -5.531 1.569) 7.371 42.450 ( -1.063 -8.661 -2.550) 9.091 43.004 ( -5.451 -3.006 7.104) 9.445 43.287 ( 2.263 -6.427 4.305) 8.060 43.819 ( -2.448 7.277 8.834) 11.704 44.140 ( 9.070 -0.325 10.899) 14.184 45.113 ( 9.903 14.045 -14.866) 22.722 45.506 ( 4.822 5.951 -27.124) 28.184 ======================= Grid point 224 (77/120) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 1.390 9.451 14.206) 17.119 2.593 ( 8.457 8.698 6.246) 13.645 2.737 ( 12.761 2.515 2.652) 13.274 2.968 ( -1.187 0.617 -0.577) 1.457 3.227 ( 1.537 7.555 3.947) 8.662 3.355 ( -1.177 3.514 -4.633) 5.933 3.630 ( 3.710 4.700 -5.449) 8.096 3.830 ( -3.923 5.260 -5.932) 8.846 4.023 ( -1.395 -0.123 7.025) 7.164 4.200 ( -4.239 0.233 5.374) 6.848 4.484 ( 10.425 -4.500 5.189) 12.484 4.581 ( 5.516 2.033 -0.183) 5.882 4.878 ( 2.688 0.314 -1.430) 3.061 5.050 ( 1.816 -3.990 -0.289) 4.393 5.240 ( 1.935 1.826 -0.753) 2.765 5.305 ( 0.310 0.487 0.900) 1.069 5.424 ( -2.495 3.798 -3.708) 5.865 5.586 ( 5.655 0.112 -6.877) 8.904 5.839 ( 2.243 7.482 -3.263) 8.465 6.001 ( 2.265 3.057 -2.741) 4.690 6.217 ( -0.649 0.899 1.059) 1.533 6.403 ( 2.841 0.549 -1.763) 3.388 6.495 ( 2.879 0.032 2.850) 4.051 6.662 ( -0.965 -4.766 -4.305) 6.495 6.800 ( 3.574 0.214 2.249) 4.229 6.942 ( -0.071 2.595 5.476) 6.060 7.108 ( 7.932 -1.054 2.649) 8.429 7.261 ( -0.117 -0.128 3.949) 3.953 7.406 ( -0.410 -3.757 0.680) 3.840 7.615 ( -3.617 0.515 -1.892) 4.114 7.860 ( 3.628 -2.050 5.183) 6.650 7.982 ( 3.984 -2.845 -0.076) 4.896 8.212 ( 0.271 0.159 1.142) 1.185 8.229 ( -3.061 -1.336 3.381) 4.752 8.579 ( -1.873 3.708 -4.916) 6.436 9.048 ( -2.122 -1.659 -9.396) 9.775 19.022 ( 0.714 0.007 0.690) 0.993 19.082 ( 0.515 0.233 -0.918) 1.078 19.565 ( -0.142 -0.191 0.879) 0.911 19.655 ( 0.520 -0.062 -1.735) 1.813 20.966 ( 1.764 -0.912 1.384) 2.421 21.054 ( 1.541 -0.598 -1.132) 2.004 21.388 ( -0.329 -0.052 0.355) 0.487 21.427 ( 1.231 -0.003 -0.498) 1.328 24.373 ( -0.216 0.027 3.111) 3.118 24.572 ( -0.349 -0.039 -2.574) 2.598 24.879 ( -0.318 0.114 2.079) 2.106 25.014 ( -0.454 0.013 -1.774) 1.831 31.944 ( -1.295 0.212 -0.007) 1.312 31.963 ( -0.798 0.205 -0.612) 1.026 32.289 ( -0.722 0.548 0.002) 0.906 32.301 ( -1.114 0.576 -0.178) 1.266 42.215 ( -2.812 -6.155 2.488) 7.209 42.432 ( -0.631 -10.385 -3.226) 10.893 42.907 ( -3.929 -2.965 5.894) 7.679 43.278 ( -2.325 -9.232 -2.914) 9.956 43.801 ( 0.555 9.100 18.070) 20.240 44.295 ( 6.007 1.411 14.599) 15.850 45.307 ( 9.505 11.097 -18.453) 23.537 45.542 ( -1.129 6.203 -23.553) 24.382 ======================= Grid point 225 (78/120) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 0.000 9.624 14.798) 17.653 2.691 ( 0.000 5.966 8.077) 10.041 2.865 ( 0.000 0.242 -10.788) 10.790 3.051 ( 0.000 19.074 6.558) 20.170 3.097 ( -0.000 -12.056 10.446) 15.952 3.390 ( 0.000 12.240 -7.120) 14.160 3.658 ( 0.000 2.343 -5.201) 5.704 3.813 ( -0.000 7.998 -7.960) 11.284 3.998 ( 0.000 -1.936 5.477) 5.809 4.131 ( 0.000 0.862 6.280) 6.339 4.597 ( 0.000 -1.731 -0.371) 1.771 4.673 ( -0.000 -5.865 8.038) 9.950 4.865 ( 0.000 1.412 0.507) 1.500 5.091 ( 0.000 5.132 7.247) 8.880 5.207 ( 0.000 -5.847 -3.881) 7.018 5.325 ( 0.000 6.480 -3.892) 7.559 5.400 ( 0.000 -1.628 -1.137) 1.986 5.665 ( 0.000 -0.999 -7.386) 7.453 5.862 ( 0.000 9.544 -4.286) 10.462 6.026 ( 0.000 4.459 -3.904) 5.926 6.210 ( 0.000 -0.393 2.819) 2.847 6.446 ( -0.000 2.157 -0.786) 2.296 6.497 ( 0.000 -4.275 -2.690) 5.051 6.637 ( 0.000 -2.594 -5.167) 5.781 6.833 ( 0.000 1.232 1.386) 1.855 6.972 ( 0.000 4.540 10.893) 11.801 7.179 ( 0.000 -1.937 -2.636) 3.271 7.291 ( 0.000 -3.790 6.248) 7.308 7.360 ( 0.000 -3.044 -4.234) 5.215 7.576 ( 0.000 -2.016 2.626) 3.310 7.956 ( 0.000 -1.260 6.723) 6.840 7.993 ( -0.000 -0.330 1.352) 1.391 8.145 ( 0.000 -3.068 3.757) 4.850 8.247 ( 0.000 -0.595 -1.650) 1.754 8.564 ( 0.000 6.249 -4.966) 7.982 9.028 ( 0.000 -0.872 -9.002) 9.044 19.029 ( 0.000 -0.030 0.675) 0.676 19.086 ( 0.000 0.050 -0.818) 0.819 19.564 ( 0.000 -0.237 0.931) 0.961 19.661 ( 0.000 0.129 -1.884) 1.888 20.983 ( 0.000 -0.862 1.426) 1.667 21.068 ( 0.000 -0.892 -0.980) 1.325 21.385 ( 0.000 -0.064 0.537) 0.541 21.442 ( 0.000 0.263 -0.904) 0.941 24.371 ( 0.000 0.070 3.044) 3.045 24.569 ( 0.000 -0.017 -2.582) 2.582 24.876 ( 0.000 0.134 2.021) 2.026 25.010 ( 0.000 0.028 -1.779) 1.779 31.931 ( 0.000 0.155 0.006) 0.155 31.956 ( 0.000 0.130 -0.730) 0.741 32.282 ( 0.000 0.634 -0.005) 0.634 32.290 ( 0.000 0.493 -0.163) 0.519 42.187 ( 0.000 -6.361 2.846) 6.969 42.427 ( 0.000 -11.196 -3.465) 11.720 42.867 ( 0.000 -2.857 5.440) 6.144 43.247 ( 0.000 -9.290 -5.163) 10.629 43.812 ( 0.000 9.243 21.254) 23.177 44.355 ( 0.000 1.885 15.493) 15.607 45.449 ( 0.000 7.827 -25.439) 26.616 45.482 ( -0.000 8.570 -16.460) 18.557 ======================= Grid point 231 (79/120) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 13.391 14.069) 19.423 1.890 ( 0.000 15.665 14.263) 21.185 2.324 ( 0.000 -10.222 -2.927) 10.632 2.590 ( 0.000 -3.511 5.810) 6.789 3.094 ( 0.000 13.632 -2.493) 13.858 3.282 ( 0.000 0.533 -3.298) 3.341 3.383 ( 0.000 2.951 3.761) 4.780 3.585 ( 0.000 -3.179 -10.691) 11.154 3.853 ( 0.000 -1.121 5.581) 5.693 4.061 ( 0.000 2.143 -1.769) 2.779 4.257 ( 0.000 2.234 3.302) 3.987 4.286 ( 0.000 -0.694 -7.319) 7.352 4.372 ( 0.000 -1.330 0.661) 1.485 4.672 ( 0.000 -6.893 -9.561) 11.786 5.193 ( 0.000 3.098 1.056) 3.273 5.323 ( 0.000 0.933 -3.029) 3.170 5.326 ( 0.000 1.926 8.048) 8.276 5.529 ( 0.000 -0.039 6.590) 6.590 5.664 ( 0.000 1.432 -2.383) 2.780 5.802 ( 0.000 -0.687 -1.159) 1.347 5.907 ( 0.000 4.425 1.342) 4.624 6.053 ( 0.000 1.603 -2.418) 2.901 6.254 ( 0.000 -0.401 7.457) 7.467 6.613 ( 0.000 5.867 -13.830) 15.023 6.654 ( 0.000 1.949 -2.734) 3.357 6.726 ( 0.000 -0.104 -12.916) 12.916 7.255 ( 0.000 -2.361 -0.176) 2.368 7.338 ( 0.000 7.205 13.372) 15.189 7.412 ( 0.000 1.098 -2.836) 3.041 7.664 ( 0.000 0.010 0.524) 0.524 7.702 ( 0.000 -5.368 11.376) 12.578 7.750 ( 0.000 0.122 -1.790) 1.794 8.005 ( 0.000 5.292 10.124) 11.423 8.457 ( 0.000 2.705 0.862) 2.839 8.778 ( 0.000 -9.788 -4.473) 10.762 9.082 ( 0.000 -14.680 -8.193) 16.812 18.939 ( 0.000 0.055 0.134) 0.144 18.950 ( 0.000 -0.044 -0.205) 0.210 19.621 ( 0.000 -0.034 1.359) 1.359 19.721 ( 0.000 0.225 -1.466) 1.483 20.694 ( 0.000 -0.077 0.774) 0.778 20.749 ( 0.000 -0.067 -0.775) 0.778 21.461 ( 0.000 -0.185 1.085) 1.101 21.513 ( 0.000 -0.217 -0.481) 0.528 24.391 ( 0.000 -0.494 3.652) 3.685 24.606 ( 0.000 -0.241 -2.703) 2.714 24.914 ( 0.000 -0.349 2.529) 2.552 25.066 ( 0.000 -0.418 -1.952) 1.996 32.080 ( 0.000 0.631 0.832) 1.044 32.105 ( 0.000 0.307 0.348) 0.463 32.376 ( 0.000 0.422 0.471) 0.632 32.431 ( 0.000 -0.465 -0.316) 0.562 42.293 ( 0.000 -2.013 2.370) 3.110 42.521 ( 0.000 -0.285 -4.657) 4.665 43.002 ( 0.000 1.672 8.761) 8.919 43.275 ( 0.000 0.371 5.432) 5.445 43.562 ( 0.000 0.755 9.617) 9.646 44.144 ( 0.000 1.630 -7.380) 7.558 45.081 ( 0.000 10.949 -12.661) 16.739 45.292 ( 0.000 4.003 -20.837) 21.218 ======================= Grid point 232 (80/120) ======================= q-point: ( 0.10 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 11.026 12.843 11.378) 20.395 1.968 ( 9.153 14.896 13.378) 22.015 2.360 ( 5.157 -8.966 0.406) 10.351 2.723 ( 9.908 -5.849 1.349) 11.585 3.078 ( -0.830 12.746 -1.317) 12.840 3.238 ( -0.998 0.932 1.576) 2.085 3.530 ( 11.764 2.009 -0.323) 11.939 3.621 ( 3.372 -2.161 -6.934) 8.008 3.855 ( 1.094 1.485 3.427) 3.892 4.069 ( 1.482 1.267 -1.288) 2.336 4.257 ( -1.161 0.110 -0.925) 1.488 4.318 ( 3.907 0.452 -2.594) 4.711 4.445 ( 6.504 -1.043 -1.922) 6.862 4.683 ( 1.544 -5.565 -8.628) 10.383 5.220 ( -0.753 2.122 1.506) 2.709 5.256 ( 0.238 0.919 2.374) 2.557 5.449 ( 6.881 2.669 1.778) 7.591 5.586 ( 4.599 2.274 4.409) 6.764 5.680 ( 2.761 0.226 1.302) 3.061 5.847 ( 5.302 0.226 -0.226) 5.312 5.953 ( 2.837 4.295 -3.381) 6.158 6.055 ( 0.785 -1.051 0.157) 1.321 6.279 ( 2.476 -0.242 5.299) 5.854 6.601 ( -0.064 4.847 -8.161) 9.492 6.685 ( 0.527 1.988 -4.218) 4.692 6.758 ( 5.741 1.057 -11.299) 12.717 7.132 ( -8.484 0.952 3.411) 9.194 7.256 ( -5.920 0.248 1.276) 6.061 7.495 ( 3.717 3.287 5.463) 7.380 7.636 ( -2.658 -3.637 7.882) 9.079 7.715 ( 0.662 -1.717 1.241) 2.220 7.847 ( 8.223 0.712 0.320) 8.260 8.025 ( 2.015 4.515 9.071) 10.331 8.430 ( -2.790 1.447 1.172) 3.354 8.743 ( -3.242 -7.523 -5.253) 9.731 9.057 ( -2.193 -13.500 -8.717) 16.219 18.949 ( 1.046 0.060 0.264) 1.081 18.975 ( 2.348 -0.043 -0.526) 2.407 19.611 ( -1.000 -0.020 1.267) 1.614 19.701 ( -1.833 0.301 -1.294) 2.264 20.750 ( 5.189 -0.057 0.197) 5.193 20.776 ( 2.735 -0.336 -0.447) 2.791 21.440 ( -1.992 -0.208 1.173) 2.321 21.492 ( -1.966 -0.125 -0.369) 2.005 24.388 ( -0.233 -0.403 3.583) 3.613 24.602 ( -0.436 -0.206 -2.671) 2.714 24.910 ( -0.425 -0.252 2.460) 2.509 25.059 ( -0.666 -0.323 -1.913) 2.051 32.065 ( -1.404 0.605 0.696) 1.680 32.086 ( -1.889 0.350 0.314) 1.946 32.366 ( -0.969 0.406 0.426) 1.134 32.416 ( -1.449 -0.274 -0.335) 1.512 42.312 ( 1.227 -2.722 1.808) 3.490 42.472 ( -4.526 -0.509 -3.265) 5.604 43.025 ( 2.232 0.652 8.814) 9.116 43.225 ( -4.323 -1.073 5.312) 6.932 43.665 ( 9.499 1.465 10.255) 14.055 44.117 ( -2.775 1.715 -5.634) 6.510 45.118 ( 3.605 11.492 -12.980) 17.707 45.337 ( 4.622 2.704 -22.076) 22.717 ======================= Grid point 233 (81/120) ======================= q-point: ( 0.20 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 9.501 13.178 11.462) 19.882 2.231 ( 15.581 10.076 8.076) 20.236 2.500 ( 6.888 -3.755 3.345) 8.529 2.857 ( 3.632 -8.716 0.354) 9.450 3.102 ( 4.218 10.037 -2.069) 11.082 3.283 ( 5.240 0.539 2.941) 6.033 3.666 ( 1.202 1.283 -2.156) 2.781 3.797 ( 12.926 -0.253 -1.231) 12.987 3.941 ( 8.113 4.835 1.125) 9.512 4.094 ( -0.115 -0.911 -3.996) 4.100 4.275 ( 3.765 0.184 2.422) 4.480 4.389 ( 3.876 1.310 -2.754) 4.932 4.595 ( 8.229 -2.778 -5.162) 10.104 4.742 ( 4.730 -2.500 -7.789) 9.449 5.178 ( -1.887 0.291 2.104) 2.841 5.276 ( 0.629 1.352 3.486) 3.792 5.551 ( 3.400 5.705 1.168) 6.743 5.668 ( 1.310 2.843 -0.295) 3.145 5.772 ( 6.995 1.548 1.342) 7.288 5.921 ( 0.913 2.220 -0.465) 2.445 6.067 ( 8.196 -1.094 -0.647) 8.294 6.111 ( 6.617 -2.833 -0.371) 7.208 6.342 ( 4.145 0.554 3.097) 5.204 6.636 ( 3.064 5.279 0.914) 6.172 6.705 ( 2.772 2.804 -3.624) 5.355 6.894 ( 4.146 2.622 -4.966) 6.981 6.997 ( -3.703 -1.773 -0.790) 4.181 7.155 ( -2.864 -3.863 -1.859) 5.156 7.501 ( -2.692 3.322 7.507) 8.640 7.612 ( 1.004 -3.080 9.781) 10.303 7.724 ( 0.288 -1.307 0.810) 1.564 7.964 ( 1.944 -0.158 -1.944) 2.754 8.085 ( 4.119 3.168 6.614) 8.411 8.361 ( -3.614 -0.049 1.132) 3.788 8.678 ( -2.799 -2.404 -5.747) 6.829 9.016 ( -1.725 -10.488 -9.753) 14.426 18.976 ( 1.552 0.101 0.547) 1.649 19.029 ( 2.771 0.076 -1.073) 2.972 19.588 ( -1.164 -0.051 1.050) 1.569 19.663 ( -1.722 0.199 -1.066) 2.035 20.833 ( 3.658 -0.246 0.444) 3.693 20.882 ( 6.894 -0.435 -1.128) 6.999 21.399 ( -1.711 -0.187 1.282) 2.147 21.449 ( -2.240 -0.122 -0.157) 2.249 24.383 ( -0.308 -0.219 3.411) 3.432 24.591 ( -0.613 -0.136 -2.615) 2.689 24.899 ( -0.583 -0.079 2.296) 2.370 25.043 ( -0.905 -0.157 -1.845) 2.061 32.030 ( -2.035 0.524 0.329) 2.127 32.039 ( -2.749 0.341 0.221) 2.779 32.342 ( -1.375 0.362 0.308) 1.455 32.381 ( -2.075 0.053 -0.352) 2.105 42.305 ( -2.777 -2.932 0.703) 4.099 42.373 ( -4.764 -2.664 -1.436) 5.644 43.057 ( -1.493 -0.017 7.009) 7.166 43.148 ( -1.477 -4.371 5.443) 7.135 43.885 ( 11.704 2.936 12.091) 17.082 44.047 ( -3.353 1.709 0.656) 3.820 45.216 ( 6.481 11.850 -14.434) 19.768 45.455 ( 6.796 0.748 -23.686) 24.653 ======================= Grid point 234 (82/120) ======================= q-point: ( 0.30 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 7.416 12.585 12.602) 19.292 2.519 ( 12.356 0.688 6.013) 13.759 2.591 ( 5.135 5.238 5.187) 8.984 2.896 ( 0.843 -7.567 -0.572) 7.636 3.254 ( 10.417 7.779 -2.052) 13.162 3.403 ( 6.071 1.997 2.365) 6.814 3.657 ( -1.046 2.659 -5.231) 5.960 3.973 ( 1.015 2.881 -6.635) 7.304 4.044 ( 3.363 -1.549 2.720) 4.594 4.131 ( 5.572 0.253 4.277) 7.029 4.346 ( 1.319 1.793 1.733) 2.821 4.491 ( 5.541 0.108 -1.253) 5.682 4.744 ( 7.707 -2.635 -4.720) 9.413 4.860 ( 6.288 -3.340 -7.993) 10.704 5.182 ( 3.408 0.429 2.859) 4.468 5.299 ( 2.058 0.960 4.681) 5.203 5.580 ( -0.785 6.100 -1.740) 6.391 5.636 ( -3.034 4.260 -2.509) 5.801 5.903 ( 3.825 3.541 -0.506) 5.237 5.949 ( 5.356 1.171 -2.679) 6.102 6.199 ( 4.128 -2.322 1.353) 4.926 6.257 ( 6.492 -3.154 -2.561) 7.658 6.461 ( 7.976 3.836 6.139) 10.771 6.654 ( -1.410 5.315 0.439) 5.516 6.785 ( 0.659 1.854 -1.149) 2.279 6.878 ( 2.331 -2.664 -0.430) 3.566 6.997 ( 1.537 -2.765 1.660) 3.573 7.179 ( 2.793 -4.903 -1.533) 5.847 7.450 ( -2.300 4.463 9.507) 10.751 7.643 ( 0.937 -2.378 7.822) 8.229 7.759 ( 4.352 -0.954 -3.079) 5.416 7.911 ( -5.146 -2.287 -1.459) 5.817 8.168 ( 3.942 1.381 3.841) 5.675 8.299 ( -3.628 -0.351 0.646) 3.702 8.653 ( 0.321 2.555 -5.084) 5.699 8.995 ( -0.546 -6.793 -10.091) 12.176 19.005 ( 1.373 0.162 0.760) 1.578 19.070 ( 1.393 0.208 -1.157) 1.823 19.570 ( -0.702 -0.146 0.896) 1.148 19.645 ( -0.106 -0.078 -1.268) 1.275 20.901 ( 3.161 -0.500 1.072) 3.375 20.996 ( 4.308 -0.234 -1.758) 4.659 21.388 ( 0.518 -0.008 0.823) 0.973 21.413 ( -1.198 -0.317 0.186) 1.253 24.377 ( -0.253 -0.066 3.212) 3.222 24.580 ( -0.539 -0.072 -2.581) 2.638 24.888 ( -0.500 0.035 2.127) 2.186 25.026 ( -0.763 -0.045 -1.799) 1.955 31.986 ( -2.457 0.288 0.138) 2.478 31.994 ( -1.753 0.306 -0.137) 1.785 32.316 ( -1.201 0.321 0.160) 1.254 32.341 ( -1.884 0.278 -0.309) 1.929 42.214 ( -5.314 -2.040 0.799) 5.748 42.300 ( -3.296 -6.291 -1.368) 7.232 42.960 ( -6.078 -1.426 4.475) 7.681 43.155 ( -0.328 -5.852 2.105) 6.228 43.956 ( -1.233 5.697 11.104) 12.540 44.151 ( 10.904 0.847 14.375) 18.063 45.359 ( 7.798 10.750 -16.908) 21.500 45.572 ( 4.725 0.452 -23.568) 24.042 ======================= Grid point 235 (83/120) ======================= q-point: ( 0.40 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.779 10.949 15.181) 18.733 2.668 ( 7.087 0.300 7.054) 10.003 2.781 ( 9.170 1.715 0.339) 9.335 2.898 ( -0.410 -5.388 0.534) 5.430 3.423 ( 1.950 9.953 4.473) 11.084 3.488 ( 6.091 6.915 -7.467) 11.861 3.691 ( 4.800 1.638 -3.770) 6.320 3.913 ( -3.274 1.845 -8.123) 8.950 4.054 ( -2.905 4.276 4.207) 6.665 4.212 ( -2.249 0.083 3.082) 3.816 4.375 ( 5.942 -4.849 3.330) 8.361 4.550 ( 1.091 -4.235 2.641) 5.109 4.872 ( 2.799 -0.050 -2.865) 4.006 4.970 ( 6.918 -3.959 -2.891) 8.479 5.274 ( 2.125 2.307 4.157) 5.208 5.346 ( 2.651 1.993 5.674) 6.572 5.526 ( -4.357 5.141 -3.165) 7.446 5.602 ( 1.644 1.146 -5.703) 6.044 5.987 ( 4.221 6.558 -3.135) 8.406 6.056 ( 4.790 2.736 -3.890) 6.750 6.225 ( -0.394 0.313 -1.325) 1.417 6.353 ( 3.582 -4.849 -3.854) 7.155 6.546 ( -2.891 3.674 1.194) 4.825 6.608 ( -0.939 0.219 -3.191) 3.334 6.807 ( 4.901 0.522 1.651) 5.198 6.951 ( 3.650 -2.271 1.468) 4.543 7.088 ( 5.840 -1.304 6.098) 8.543 7.219 ( 1.981 -3.869 1.514) 4.602 7.384 ( -5.372 2.892 7.013) 9.295 7.584 ( -6.089 -3.667 5.335) 8.888 7.842 ( 4.635 0.015 3.113) 5.583 7.934 ( 6.406 -1.792 -2.672) 7.168 8.194 ( -6.689 -1.122 2.309) 7.165 8.225 ( 1.404 0.171 0.414) 1.474 8.675 ( 1.356 5.271 -5.460) 7.709 8.990 ( -0.036 -3.821 -9.637) 10.367 19.026 ( 0.731 0.231 0.812) 1.116 19.084 ( 0.222 0.060 -0.808) 0.840 19.561 ( -0.214 -0.222 0.902) 0.953 19.653 ( 0.707 -0.117 -1.795) 1.933 20.950 ( 1.743 -0.602 1.309) 2.261 21.047 ( 1.321 -0.181 -1.462) 1.979 21.388 ( -0.445 0.060 0.627) 0.771 21.423 ( 1.639 -0.274 -0.235) 1.678 24.373 ( -0.140 0.022 3.061) 3.064 24.571 ( -0.310 -0.028 -2.572) 2.590 24.881 ( -0.281 0.083 2.014) 2.035 25.014 ( -0.421 0.006 -1.777) 1.826 31.947 ( -1.406 0.154 0.100) 1.418 31.967 ( -0.941 0.161 -0.499) 1.078 32.297 ( -0.679 0.307 0.040) 0.747 32.311 ( -1.107 0.399 -0.229) 1.199 42.127 ( -3.268 -2.504 1.207) 4.290 42.245 ( -2.138 -8.082 -1.766) 8.545 42.859 ( -3.913 -1.792 3.624) 5.627 43.121 ( -2.412 -6.137 -2.708) 7.128 43.956 ( 0.806 5.979 18.758) 19.705 44.327 ( 6.599 1.479 16.874) 18.179 45.500 ( 6.358 8.210 -19.886) 22.434 45.627 ( 0.898 2.158 -21.765) 21.890 ======================= Grid point 236 (84/120) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 10.217 16.150) 19.111 2.767 ( 0.000 2.527 8.303) 8.679 2.842 ( 0.000 -3.488 -7.667) 8.423 2.913 ( 0.000 -5.548 6.738) 8.728 3.402 ( 0.000 14.470 -1.407) 14.538 3.590 ( -0.000 7.135 -3.509) 7.951 3.736 ( 0.000 4.843 -5.031) 6.983 3.926 ( -0.000 -4.057 1.525) 4.334 3.975 ( 0.000 7.702 -5.673) 9.566 4.154 ( 0.000 1.874 3.460) 3.935 4.471 ( 0.000 -9.403 0.889) 9.445 4.556 ( -0.000 -5.402 10.492) 11.801 4.875 ( 0.000 0.057 -3.810) 3.810 5.086 ( 0.000 -5.059 -3.349) 6.067 5.236 ( 0.000 7.323 9.918) 12.329 5.400 ( -0.000 1.040 7.447) 7.519 5.461 ( 0.000 6.036 -5.827) 8.390 5.647 ( 0.000 -1.158 -6.928) 7.025 6.025 ( 0.000 6.347 -3.767) 7.381 6.119 ( 0.000 4.288 -6.729) 7.979 6.213 ( 0.000 1.312 -0.081) 1.315 6.395 ( 0.000 -5.856 -4.612) 7.454 6.485 ( 0.000 1.500 -2.882) 3.249 6.597 ( 0.000 -0.973 -4.618) 4.719 6.872 ( 0.000 2.698 2.724) 3.834 7.020 ( 0.000 -1.078 3.392) 3.560 7.149 ( 0.000 -0.827 -2.186) 2.337 7.260 ( -0.000 2.080 15.609) 15.747 7.274 ( 0.000 -5.239 -3.320) 6.203 7.517 ( 0.000 -3.962 8.847) 9.694 7.935 ( 0.000 -0.747 6.517) 6.560 7.997 ( 0.000 0.561 -1.181) 1.307 8.095 ( 0.000 -2.005 2.002) 2.834 8.236 ( 0.000 -0.420 -2.109) 2.151 8.690 ( 0.000 5.956 -5.846) 8.345 8.990 ( 0.000 -2.708 -9.322) 9.707 19.033 ( 0.000 0.271 0.803) 0.848 19.086 ( 0.000 -0.088 -0.609) 0.615 19.559 ( 0.000 -0.247 0.939) 0.971 19.662 ( 0.000 -0.057 -2.056) 2.057 20.967 ( 0.000 -0.628 1.332) 1.472 21.058 ( 0.000 -0.189 -1.233) 1.247 21.384 ( 0.000 -0.021 0.850) 0.850 21.442 ( 0.000 -0.118 -0.741) 0.750 24.372 ( 0.000 0.050 3.005) 3.005 24.568 ( 0.000 -0.012 -2.571) 2.571 24.878 ( 0.000 0.094 1.975) 1.977 25.010 ( 0.000 0.020 -1.770) 1.771 31.934 ( 0.000 0.105 0.092) 0.140 31.958 ( 0.000 0.096 -0.632) 0.639 32.291 ( 0.000 0.308 -0.005) 0.308 32.300 ( 0.000 0.437 -0.190) 0.476 42.095 ( 0.000 -2.720 1.340) 3.033 42.223 ( 0.000 -8.770 -1.908) 8.975 42.820 ( 0.000 -1.808 3.327) 3.787 43.093 ( 0.000 -5.936 -4.125) 7.228 43.967 ( 0.000 5.953 21.204) 22.024 44.393 ( 0.000 1.630 17.644) 17.719 45.581 ( 0.000 5.104 -24.679) 25.201 45.618 ( -0.000 4.983 -17.303) 18.006 ======================= Grid point 242 (85/120) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 0.000 10.626) 10.626 2.080 ( 0.000 0.000 12.575) 12.575 2.174 ( 0.000 0.000 1.445) 1.445 2.509 ( 0.000 0.000 6.245) 6.245 3.283 ( 0.000 -0.000 2.642) 2.642 3.291 ( 0.000 0.000 -4.417) 4.417 3.398 ( 0.000 0.000 1.583) 1.583 3.553 ( 0.000 0.000 -11.792) 11.792 3.778 ( 0.000 0.000 -4.953) 4.953 4.161 ( 0.000 -0.000 -3.921) 3.921 4.261 ( 0.000 0.000 -0.769) 0.769 4.287 ( 0.000 0.000 3.311) 3.311 4.350 ( 0.000 0.000 1.384) 1.384 4.583 ( 0.000 0.000 -11.447) 11.447 5.223 ( 0.000 0.000 0.823) 0.823 5.331 ( 0.000 0.000 -2.521) 2.521 5.352 ( 0.000 0.000 12.366) 12.366 5.532 ( 0.000 0.000 5.449) 5.449 5.676 ( 0.000 0.000 -1.971) 1.971 5.794 ( 0.000 0.000 -1.130) 1.130 5.929 ( 0.000 0.000 5.745) 5.745 6.099 ( 0.000 0.000 -4.632) 4.632 6.253 ( 0.000 0.000 8.086) 8.086 6.674 ( 0.000 0.000 -2.872) 2.872 6.684 ( 0.000 0.000 -19.685) 19.685 6.715 ( 0.000 0.000 -11.113) 11.113 7.230 ( 0.000 0.000 0.149) 0.149 7.422 ( 0.000 0.000 -3.970) 3.970 7.480 ( 0.000 -0.000 19.644) 19.644 7.552 ( 0.000 0.000 10.765) 10.765 7.666 ( 0.000 0.000 0.832) 0.832 7.750 ( 0.000 0.000 -1.356) 1.356 8.092 ( 0.000 -0.000 11.290) 11.290 8.464 ( 0.000 0.000 4.222) 4.222 8.720 ( 0.000 0.000 -10.059) 10.059 8.897 ( 0.000 0.000 -11.372) 11.372 18.939 ( 0.000 0.000 0.119) 0.119 18.950 ( 0.000 0.000 -0.192) 0.192 19.621 ( 0.000 0.000 1.419) 1.419 19.723 ( 0.000 0.000 -1.535) 1.535 20.694 ( 0.000 0.000 0.774) 0.774 20.749 ( 0.000 0.000 -0.778) 0.778 21.459 ( 0.000 0.000 1.197) 1.197 21.511 ( 0.000 0.000 -0.354) 0.354 24.386 ( 0.000 0.000 3.581) 3.581 24.604 ( 0.000 0.000 -2.722) 2.722 24.911 ( 0.000 0.000 2.376) 2.376 25.061 ( 0.000 0.000 -1.972) 1.972 32.087 ( 0.000 0.000 0.909) 0.909 32.108 ( 0.000 0.000 0.590) 0.590 32.381 ( 0.000 0.000 0.325) 0.325 32.424 ( 0.000 0.000 -0.343) 0.343 42.273 ( 0.000 0.000 2.550) 2.550 42.517 ( 0.000 0.000 -5.016) 5.016 43.019 ( 0.000 0.000 9.631) 9.631 43.278 ( 0.000 0.000 5.838) 5.838 43.570 ( 0.000 0.000 9.865) 9.865 44.160 ( 0.000 0.000 -7.444) 7.444 45.217 ( 0.000 0.000 -17.149) 17.149 45.300 ( 0.000 0.000 -14.905) 14.905 ======================= Grid point 244 (86/120) ======================= q-point: ( 0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 11.253 -0.000 8.174) 13.908 2.179 ( 11.599 -0.000 11.810) 16.554 2.184 ( 2.385 0.000 5.036) 5.572 2.626 ( 8.508 0.000 2.668) 8.916 3.242 ( -1.768 0.000 -0.304) 1.794 3.246 ( -2.667 -0.000 1.506) 3.063 3.526 ( 9.945 -0.000 0.603) 9.964 3.618 ( 6.155 0.000 -8.779) 10.721 3.816 ( 4.283 0.000 -8.606) 9.613 4.155 ( -0.768 -0.000 -0.634) 0.996 4.239 ( -0.424 0.000 2.769) 2.801 4.321 ( 2.966 0.000 -1.646) 3.392 4.436 ( 6.702 0.000 -1.529) 6.874 4.615 ( 3.583 0.000 -9.826) 10.459 5.242 ( -4.092 0.000 3.819) 5.597 5.259 ( 2.475 -0.000 1.551) 2.921 5.482 ( 8.512 0.000 3.652) 9.263 5.632 ( 8.895 0.000 7.939) 11.922 5.658 ( -0.995 0.000 -0.795) 1.273 5.844 ( 5.685 -0.000 0.585) 5.715 5.988 ( 4.052 0.000 -0.009) 4.052 6.064 ( -2.934 0.000 -3.104) 4.271 6.281 ( 2.468 0.000 5.676) 6.189 6.666 ( 1.437 -0.000 -8.178) 8.304 6.684 ( -1.662 0.000 -7.629) 7.808 6.776 ( 7.372 -0.000 -11.293) 13.486 7.140 ( -7.689 0.000 1.347) 7.806 7.271 ( -9.866 0.000 1.512) 9.981 7.512 ( 1.846 0.000 16.651) 16.753 7.605 ( 0.025 0.000 5.315) 5.315 7.684 ( 1.688 -0.000 1.064) 1.996 7.842 ( 8.157 0.000 -2.171) 8.441 8.095 ( 0.503 -0.000 10.330) 10.343 8.432 ( -3.138 0.000 3.242) 4.512 8.701 ( -1.564 0.000 -9.042) 9.177 8.888 ( -0.641 0.000 -11.192) 11.211 18.950 ( 1.060 0.000 0.248) 1.089 18.975 ( 2.355 0.000 -0.495) 2.407 19.610 ( -0.997 0.000 1.338) 1.669 19.704 ( -1.786 0.000 -1.376) 2.255 20.749 ( 5.385 -0.000 0.172) 5.387 20.772 ( 2.329 0.000 -0.413) 2.365 21.438 ( -2.000 0.000 1.287) 2.378 21.490 ( -1.895 0.000 -0.296) 1.918 24.384 ( -0.157 0.000 3.517) 3.520 24.600 ( -0.402 0.000 -2.693) 2.723 24.907 ( -0.350 0.000 2.326) 2.352 25.055 ( -0.581 0.000 -1.938) 2.024 32.072 ( -1.458 -0.000 0.762) 1.645 32.089 ( -1.842 0.000 0.505) 1.910 32.371 ( -1.017 0.000 0.335) 1.071 32.412 ( -1.240 0.000 -0.363) 1.292 42.285 ( 0.666 0.000 2.019) 2.126 42.468 ( -4.787 0.000 -3.754) 6.084 43.031 ( 1.382 0.000 9.404) 9.505 43.214 ( -5.597 0.000 5.261) 7.681 43.680 ( 9.980 0.000 10.768) 14.681 44.136 ( -2.545 0.000 -5.343) 5.918 45.272 ( 5.311 0.000 -18.438) 19.188 45.320 ( 2.278 -0.000 -15.154) 15.324 ======================= Grid point 246 (87/120) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 10.993 -0.000 7.577) 13.351 2.279 ( 6.590 0.000 9.338) 11.429 2.492 ( 16.834 0.000 6.356) 17.994 2.727 ( 1.484 0.000 0.823) 1.697 3.228 ( 1.843 0.000 0.675) 1.963 3.274 ( 5.094 0.000 2.439) 5.648 3.686 ( 4.308 -0.000 -1.417) 4.535 3.772 ( 9.349 0.000 -4.755) 10.489 3.970 ( 10.997 -0.000 -11.485) 15.901 4.116 ( -3.326 0.000 -1.339) 3.586 4.283 ( 5.574 0.000 6.684) 8.703 4.396 ( 4.484 0.000 -1.920) 4.878 4.568 ( 6.688 0.000 -4.974) 8.335 4.719 ( 6.494 0.000 -8.728) 10.879 5.179 ( -2.301 0.000 3.752) 4.402 5.285 ( 0.485 0.000 3.566) 3.598 5.644 ( 6.037 -0.000 2.425) 6.505 5.664 ( 1.589 0.000 -0.402) 1.639 5.796 ( 6.428 0.000 4.795) 8.019 5.943 ( 1.523 0.000 0.057) 1.524 6.051 ( 3.934 0.000 1.854) 4.349 6.085 ( 7.640 0.000 -5.177) 9.229 6.351 ( 5.255 0.000 3.140) 6.122 6.705 ( 4.187 -0.000 -0.114) 4.188 6.726 ( 4.267 0.000 -3.478) 5.505 6.933 ( 1.349 -0.000 -1.819) 2.264 6.997 ( -0.102 0.000 -6.493) 6.493 7.077 ( -10.077 0.000 0.007) 10.077 7.529 ( 0.367 0.000 13.014) 13.019 7.582 ( -1.305 0.000 7.275) 7.391 7.717 ( 1.482 -0.000 1.479) 2.094 7.949 ( 0.849 0.000 -3.603) 3.702 8.123 ( 2.504 -0.000 7.532) 7.938 8.362 ( -3.419 0.000 0.333) 3.435 8.679 ( -0.227 -0.000 -6.389) 6.393 8.884 ( 0.453 0.000 -10.755) 10.764 18.977 ( 1.583 0.000 0.536) 1.671 19.029 ( 2.868 0.000 -1.057) 3.057 19.587 ( -1.201 0.000 1.129) 1.649 19.666 ( -1.856 0.000 -1.107) 2.161 20.831 ( 3.449 0.000 0.371) 3.469 20.877 ( 7.017 -0.000 -1.111) 7.104 21.398 ( -1.671 0.000 1.403) 2.181 21.447 ( -2.281 0.000 -0.107) 2.284 24.380 ( -0.219 0.000 3.359) 3.366 24.590 ( -0.574 0.000 -2.634) 2.696 24.899 ( -0.512 0.000 2.205) 2.264 25.041 ( -0.825 0.000 -1.869) 2.043 32.036 ( -2.103 -0.000 0.374) 2.136 32.042 ( -2.794 0.000 0.338) 2.814 32.346 ( -1.420 0.000 0.303) 1.452 32.380 ( -1.884 0.000 -0.377) 1.921 42.274 ( -2.041 0.000 0.830) 2.203 42.350 ( -6.926 0.000 -1.678) 7.126 43.071 ( 2.324 -0.000 7.336) 7.695 43.086 ( -7.239 0.000 4.290) 8.415 43.913 ( 13.160 0.000 13.039) 18.525 44.069 ( -3.818 0.000 1.343) 4.047 45.395 ( 5.443 0.000 -15.949) 16.852 45.399 ( 7.083 -0.000 -20.987) 22.150 ======================= Grid point 248 (88/120) ======================= q-point: ( 0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 3.276 -0.000 14.946) 15.301 2.433 ( 11.913 0.000 6.062) 13.367 2.736 ( 7.770 0.000 2.797) 8.258 2.743 ( 2.122 -0.000 -0.683) 2.229 3.340 ( 9.336 -0.000 0.183) 9.337 3.411 ( 8.243 0.000 3.430) 8.928 3.707 ( -0.781 -0.000 -8.190) 8.227 3.955 ( 7.513 0.000 -6.659) 10.039 4.042 ( -2.547 0.000 -0.666) 2.633 4.136 ( 4.865 0.000 0.847) 4.938 4.400 ( 2.442 -0.000 0.566) 2.507 4.466 ( 2.113 0.000 3.010) 3.678 4.720 ( 10.036 0.000 -4.700) 11.083 4.831 ( 4.333 -0.000 -7.788) 8.912 5.184 ( 3.975 0.000 3.885) 5.558 5.307 ( 2.206 0.000 4.585) 5.088 5.657 ( -2.868 0.000 -1.388) 3.186 5.674 ( -2.226 -0.000 -2.147) 3.092 5.932 ( 7.489 0.000 1.946) 7.738 5.972 ( 4.356 -0.000 -2.825) 5.191 6.170 ( 5.449 0.000 1.481) 5.647 6.225 ( 5.157 0.000 -4.198) 6.649 6.499 ( 9.536 0.000 5.637) 11.078 6.783 ( -1.251 0.000 -0.011) 1.251 6.785 ( -5.712 -0.000 1.150) 5.826 6.825 ( 2.322 0.000 -1.901) 3.001 6.941 ( 1.238 -0.000 3.087) 3.325 7.121 ( 4.643 0.000 -4.095) 6.191 7.540 ( -0.202 0.000 11.941) 11.942 7.569 ( -0.844 -0.000 8.323) 8.366 7.767 ( 5.292 0.000 -2.680) 5.932 7.878 ( -5.925 -0.000 -2.765) 6.538 8.183 ( 3.160 -0.000 4.090) 5.169 8.295 ( -4.271 0.000 -0.708) 4.330 8.699 ( 2.072 -0.000 -5.096) 5.502 8.906 ( 1.669 0.000 -10.226) 10.361 19.007 ( 1.412 0.000 0.765) 1.606 19.072 ( 1.405 0.000 -1.170) 1.828 19.568 ( -0.751 0.000 0.956) 1.216 19.644 ( -0.227 0.000 -1.247) 1.267 20.896 ( 3.077 0.000 1.012) 3.240 20.993 ( 4.402 0.000 -1.890) 4.791 21.388 ( 0.847 0.000 0.982) 1.297 21.410 ( -1.512 0.000 0.274) 1.537 24.376 ( -0.192 0.000 3.178) 3.184 24.579 ( -0.508 0.000 -2.590) 2.639 24.889 ( -0.464 0.000 2.077) 2.128 25.026 ( -0.720 0.000 -1.810) 1.948 31.989 ( -2.552 0.000 0.209) 2.561 31.997 ( -1.829 -0.000 -0.098) 1.831 32.319 ( -1.223 0.000 0.193) 1.238 32.343 ( -1.773 0.000 -0.336) 1.805 42.213 ( -3.792 0.000 -0.147) 3.794 42.218 ( -6.277 -0.000 -0.377) 6.288 42.948 ( -6.681 0.000 3.406) 7.499 43.093 ( -0.556 0.000 2.041) 2.115 44.015 ( -1.257 0.000 11.365) 11.434 44.160 ( 11.668 0.000 15.670) 19.537 45.516 ( 6.492 0.000 -16.859) 18.066 45.525 ( 5.531 -0.000 -23.000) 23.655 ======================= Grid point 250 (89/120) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -1.180 -0.000 17.797) 17.836 2.646 ( 9.460 0.000 3.610) 10.126 2.815 ( 1.086 0.000 1.794) 2.097 2.822 ( 4.778 -0.000 -0.311) 4.789 3.536 ( 9.295 -0.000 1.866) 9.481 3.548 ( 3.795 0.000 -3.495) 5.159 3.716 ( 3.881 -0.000 -2.488) 4.610 3.925 ( -4.460 0.000 -12.727) 13.486 4.140 ( 5.879 -0.000 0.221) 5.883 4.151 ( -3.672 0.000 3.357) 4.975 4.363 ( -2.965 0.000 1.432) 3.293 4.483 ( 0.462 -0.000 8.663) 8.675 4.878 ( 0.595 0.000 -5.304) 5.338 4.923 ( 9.455 -0.000 -1.207) 9.532 5.301 ( 4.664 0.000 4.618) 6.564 5.365 ( 3.387 0.000 6.309) 7.160 5.591 ( -4.861 0.000 -3.872) 6.215 5.606 ( -0.639 -0.000 -3.530) 3.587 6.052 ( 4.360 -0.000 -0.946) 4.461 6.099 ( 6.406 0.000 -6.014) 8.787 6.234 ( 1.836 -0.000 -3.072) 3.579 6.282 ( 1.649 0.000 -3.924) 4.257 6.567 ( -4.871 0.000 -1.687) 5.155 6.655 ( -5.553 -0.000 -2.777) 6.208 6.818 ( 10.301 0.000 3.541) 10.892 6.895 ( 2.788 0.000 2.626) 3.830 7.069 ( 7.233 -0.000 6.457) 9.696 7.175 ( 1.935 0.000 -2.599) 3.240 7.470 ( -9.732 0.000 5.956) 11.410 7.497 ( -3.368 -0.000 13.159) 13.584 7.845 ( 3.644 -0.000 3.037) 4.743 7.916 ( 8.012 0.000 -4.242) 9.066 8.182 ( -7.160 0.000 1.294) 7.276 8.226 ( 1.097 0.000 0.393) 1.166 8.741 ( 1.821 0.000 -5.699) 5.983 8.938 ( 1.366 0.000 -9.710) 9.806 19.028 ( 0.778 0.000 0.822) 1.132 19.085 ( 0.098 0.000 -0.766) 0.773 19.559 ( -0.241 0.000 0.937) 0.968 19.652 ( 0.732 0.000 -1.805) 1.948 20.944 ( 1.712 0.000 1.259) 2.126 21.046 ( 1.347 0.000 -1.650) 2.130 21.389 ( -0.615 0.000 0.763) 0.980 21.420 ( 1.860 0.000 -0.103) 1.862 24.373 ( -0.110 0.000 3.040) 3.042 24.571 ( -0.293 0.000 -2.571) 2.587 24.882 ( -0.269 0.000 1.988) 2.006 25.015 ( -0.405 0.000 -1.777) 1.822 31.949 ( -1.457 0.000 0.146) 1.464 31.969 ( -1.009 -0.000 -0.463) 1.110 32.301 ( -0.684 0.000 0.073) 0.688 32.315 ( -1.056 0.000 -0.264) 1.088 42.119 ( -3.652 0.000 0.170) 3.656 42.146 ( -2.700 0.000 -0.687) 2.786 42.841 ( -3.981 0.000 2.754) 4.841 43.059 ( -2.249 0.000 -2.399) 3.288 44.016 ( 0.809 0.000 18.904) 18.921 44.343 ( 6.746 0.000 17.641) 18.887 45.606 ( 2.762 0.000 -24.071) 24.229 45.625 ( 4.249 -0.000 -17.408) 17.919 ======================= Grid point 252 (90/120) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.000 0.000 18.077) 18.077 2.774 ( 0.000 0.000 -4.087) 4.087 2.793 ( 0.000 0.000 8.219) 8.219 2.877 ( 0.000 0.000 0.849) 0.849 3.565 ( 0.000 0.000 -12.119) 12.119 3.642 ( 0.000 -0.000 5.610) 5.610 3.807 ( 0.000 0.000 10.932) 10.932 3.869 ( 0.000 -0.000 -15.968) 15.968 4.066 ( 0.000 0.000 -6.740) 6.740 4.194 ( 0.000 -0.000 -3.910) 3.910 4.340 ( 0.000 0.000 8.607) 8.607 4.495 ( 0.000 0.000 13.757) 13.757 4.875 ( 0.000 0.000 -4.676) 4.676 5.034 ( 0.000 0.000 -3.240) 3.240 5.316 ( 0.000 -0.000 10.051) 10.051 5.412 ( -0.000 0.000 9.631) 9.631 5.529 ( 0.000 -0.000 -6.737) 6.737 5.627 ( 0.000 0.000 -6.143) 6.143 6.091 ( 0.000 0.000 -2.326) 2.326 6.162 ( 0.000 0.000 -7.829) 7.829 6.256 ( 0.000 0.000 -3.699) 3.699 6.304 ( 0.000 -0.000 -3.691) 3.691 6.497 ( -0.000 -0.000 -4.464) 4.464 6.597 ( 0.000 0.000 -4.156) 4.156 6.922 ( 0.000 -0.000 3.663) 3.663 6.973 ( -0.000 0.000 2.434) 2.434 7.153 ( 0.000 -0.000 -1.043) 1.043 7.199 ( 0.000 0.000 -3.874) 3.874 7.317 ( 0.000 0.000 13.891) 13.891 7.454 ( 0.000 -0.000 14.713) 14.713 7.928 ( 0.000 0.000 6.378) 6.378 8.006 ( 0.000 0.000 -2.544) 2.544 8.072 ( 0.000 0.000 1.414) 1.414 8.232 ( 0.000 0.000 -2.283) 2.283 8.760 ( 0.000 0.000 -6.123) 6.123 8.952 ( 0.000 0.000 -9.466) 9.466 19.036 ( 0.000 0.000 0.810) 0.810 19.085 ( 0.000 0.000 -0.524) 0.524 19.557 ( 0.000 0.000 0.965) 0.965 19.661 ( 0.000 0.000 -2.100) 2.100 20.961 ( 0.000 0.000 1.287) 1.287 21.057 ( 0.000 0.000 -1.419) 1.419 21.384 ( 0.000 0.000 1.003) 1.003 21.441 ( 0.000 0.000 -0.635) 0.635 24.372 ( 0.000 0.000 2.988) 2.988 24.568 ( 0.000 0.000 -2.566) 2.566 24.879 ( 0.000 0.000 1.956) 1.956 25.011 ( 0.000 0.000 -1.767) 1.767 31.935 ( 0.000 0.000 0.130) 0.130 31.959 ( 0.000 0.000 -0.598) 0.598 32.294 ( 0.000 0.000 0.023) 0.023 32.305 ( 0.000 0.000 -0.228) 0.228 42.083 ( 0.000 -0.000 0.308) 0.308 42.119 ( 0.000 0.000 -0.856) 0.856 42.802 ( 0.000 0.000 2.510) 2.510 43.033 ( 0.000 0.000 -3.676) 3.676 44.027 ( 0.000 0.000 21.219) 21.219 44.410 ( 0.000 0.000 18.366) 18.366 45.632 ( 0.000 0.000 -24.400) 24.400 45.668 ( 0.000 0.000 -17.568) 17.568 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 0.000 25.403) 25.403 1.749 ( 0.000 0.000 26.768) 26.768 2.148 ( 0.000 0.000 -21.913) 21.913 2.243 ( 0.000 0.000 -21.348) 21.348 2.885 ( 0.000 0.000 34.267) 34.267 3.393 ( 0.000 0.000 -13.816) 13.816 3.558 ( 0.000 0.000 6.514) 6.514 3.686 ( 0.000 0.000 -5.778) 5.778 3.815 ( 0.000 0.000 12.320) 12.320 4.065 ( 0.000 0.000 -9.829) 9.829 4.211 ( 0.000 0.000 1.792) 1.792 4.264 ( 0.000 0.000 -2.922) 2.922 4.428 ( 0.000 0.000 0.223) 0.223 4.508 ( 0.000 0.000 -12.002) 12.002 5.025 ( 0.000 0.000 3.678) 3.678 5.109 ( 0.000 0.000 -4.817) 4.817 5.500 ( 0.000 0.000 6.170) 6.170 5.519 ( 0.000 0.000 7.337) 7.337 5.690 ( 0.000 0.000 4.783) 4.783 5.727 ( 0.000 0.000 -6.155) 6.155 5.767 ( 0.000 0.000 -3.046) 3.046 5.815 ( 0.000 0.000 -11.951) 11.951 6.434 ( 0.000 0.000 1.694) 1.694 6.468 ( 0.000 0.000 -1.902) 1.902 6.507 ( 0.000 0.000 2.721) 2.721 6.524 ( 0.000 0.000 0.633) 0.633 7.127 ( 0.000 0.000 -0.355) 0.355 7.135 ( 0.000 0.000 -0.843) 0.843 7.327 ( 0.000 0.000 2.549) 2.549 7.373 ( 0.000 0.000 -2.018) 2.018 7.655 ( 0.000 0.000 -0.738) 0.738 7.669 ( 0.000 0.000 -2.086) 2.086 8.243 ( 0.000 0.000 7.286) 7.286 8.341 ( 0.000 0.000 -2.703) 2.703 9.612 ( 0.000 0.000 4.179) 4.179 9.700 ( 0.000 0.000 -4.508) 4.508 18.940 ( 0.000 0.000 0.300) 0.300 18.947 ( 0.000 0.000 -0.327) 0.327 19.639 ( 0.000 0.000 1.861) 1.861 19.676 ( 0.000 0.000 -1.819) 1.819 20.717 ( 0.000 0.000 0.957) 0.957 20.736 ( 0.000 0.000 -0.953) 0.953 21.478 ( 0.000 0.000 0.031) 0.031 21.479 ( 0.000 0.000 0.008) 0.008 24.507 ( 0.000 0.000 2.809) 2.809 24.563 ( 0.000 0.000 -2.759) 2.759 25.027 ( 0.000 0.000 1.162) 1.162 25.050 ( 0.000 0.000 -1.177) 1.177 32.085 ( 0.000 0.000 0.065) 0.065 32.086 ( 0.000 0.000 -0.002) 0.002 32.363 ( 0.000 0.000 0.200) 0.200 32.368 ( 0.000 0.000 -0.242) 0.242 42.466 ( 0.000 0.000 0.306) 0.306 42.476 ( 0.000 0.000 -0.743) 0.743 43.017 ( 0.000 0.000 2.385) 2.385 43.056 ( 0.000 0.000 -1.326) 1.326 43.692 ( 0.000 0.000 9.412) 9.412 43.879 ( 0.000 0.000 -9.008) 9.008 44.288 ( 0.000 0.000 7.205) 7.205 44.449 ( 0.000 0.000 -8.587) 8.587 ======================= Grid point 298 (92/120) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 3.661 0.000 23.768) 24.049 1.793 ( 10.212 0.000 20.968) 23.322 2.238 ( 8.508 0.000 -18.181) 20.073 2.276 ( 4.173 0.000 -19.974) 20.406 3.000 ( 11.204 0.000 29.951) 31.978 3.361 ( -1.475 0.000 -5.257) 5.460 3.616 ( -11.394 0.000 9.141) 14.608 3.723 ( 13.823 0.000 -0.071) 13.823 3.848 ( 10.438 0.000 -3.582) 11.035 3.929 ( -9.077 0.000 -9.893) 13.426 4.273 ( 3.820 0.000 1.804) 4.225 4.313 ( 2.017 0.000 -2.768) 3.425 4.483 ( 4.276 0.000 0.615) 4.320 4.557 ( 3.473 0.000 -9.455) 10.072 5.056 ( 3.656 0.000 2.431) 4.390 5.136 ( 2.995 0.000 -5.243) 6.038 5.417 ( -6.377 0.000 7.433) 9.794 5.497 ( -2.140 0.000 1.001) 2.362 5.717 ( 1.840 0.000 -3.750) 4.177 5.749 ( 4.578 0.000 -5.194) 6.923 5.898 ( 13.479 0.000 5.264) 14.470 5.994 ( 11.381 0.000 -4.378) 12.194 6.327 ( -4.433 0.000 0.885) 4.521 6.363 ( -4.065 0.000 -2.537) 4.792 6.652 ( 8.516 0.000 2.264) 8.812 6.670 ( 8.669 0.000 0.436) 8.680 7.058 ( -4.434 0.000 -0.017) 4.434 7.060 ( -4.547 0.000 -0.260) 4.555 7.403 ( 4.458 0.000 0.663) 4.507 7.421 ( 2.624 0.000 -1.256) 2.909 7.704 ( 5.184 0.000 0.609) 5.220 7.743 ( 7.275 0.000 -2.940) 7.847 8.238 ( -0.517 0.000 7.353) 7.371 8.341 ( -0.064 0.000 -3.037) 3.037 9.490 ( -11.688 0.000 1.992) 11.856 9.533 ( -15.818 0.000 -2.279) 15.982 18.954 ( 1.321 0.000 0.235) 1.342 18.960 ( 1.304 0.000 -0.332) 1.345 19.626 ( -1.143 0.000 1.662) 2.017 19.660 ( -1.391 0.000 -1.675) 2.178 20.763 ( 4.478 0.000 0.840) 4.557 20.781 ( 4.155 0.000 -0.908) 4.254 21.463 ( -1.470 0.000 0.128) 1.475 21.465 ( -1.301 0.000 -0.100) 1.305 24.497 ( -0.973 0.000 3.104) 3.253 24.557 ( -0.624 0.000 -2.889) 2.955 25.006 ( -1.858 0.000 1.795) 2.584 25.038 ( -1.139 0.000 -1.482) 1.869 32.061 ( -2.287 0.000 0.203) 2.296 32.063 ( -2.049 0.000 -0.094) 2.051 32.353 ( -1.002 0.000 0.158) 1.014 32.356 ( -1.063 0.000 -0.179) 1.078 42.547 ( 5.024 0.000 0.050) 5.024 42.557 ( 4.933 0.000 -1.137) 5.062 43.085 ( 7.981 0.000 4.926) 9.378 43.178 ( 12.826 0.000 -3.915) 13.410 43.741 ( 4.318 0.000 8.854) 9.851 43.897 ( 1.781 0.000 -6.361) 6.606 44.341 ( 6.135 0.000 -1.090) 6.231 44.408 ( -3.675 0.000 -6.331) 7.320 ======================= Grid point 299 (93/120) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 8.575 0.000 17.394) 19.393 1.983 ( 8.387 0.000 12.325) 14.908 2.420 ( 10.379 0.000 -12.499) 16.246 2.438 ( 11.289 0.000 -11.628) 16.206 3.162 ( -2.883 0.000 11.838) 12.184 3.311 ( -4.773 0.000 -4.100) 6.292 3.519 ( 9.423 0.000 18.203) 20.497 3.800 ( -2.322 0.000 -6.205) 6.625 4.031 ( 5.241 0.000 -2.007) 5.612 4.039 ( 16.025 0.000 -1.050) 16.060 4.345 ( 2.332 0.000 0.767) 2.455 4.409 ( 10.736 0.000 -1.291) 10.813 4.526 ( 1.301 0.000 -1.840) 2.253 4.590 ( 0.051 0.000 -7.157) 7.157 5.162 ( 5.717 0.000 1.352) 5.875 5.221 ( 5.167 0.000 -4.153) 6.629 5.322 ( -2.478 0.000 3.995) 4.701 5.412 ( -5.431 0.000 -4.936) 7.339 5.804 ( 4.128 0.000 -0.347) 4.143 5.812 ( 1.300 0.000 -0.490) 1.390 6.148 ( 3.155 0.000 3.071) 4.403 6.166 ( 11.535 0.000 2.532) 11.810 6.333 ( 6.383 0.000 0.315) 6.391 6.396 ( 8.303 0.000 -4.231) 9.319 6.794 ( 5.671 0.000 0.852) 5.734 6.804 ( 4.736 0.000 0.275) 4.744 7.017 ( 0.989 0.000 1.771) 2.029 7.045 ( 4.104 0.000 -0.656) 4.156 7.442 ( -0.284 0.000 -0.665) 0.723 7.446 ( 0.075 0.000 -1.018) 1.020 7.842 ( 8.130 0.000 3.029) 8.676 7.910 ( 8.686 0.000 -2.624) 9.074 8.219 ( -1.580 0.000 6.961) 7.138 8.332 ( -1.152 0.000 -4.105) 4.264 9.165 ( -20.068 0.000 1.187) 20.103 9.215 ( -14.935 0.000 -2.991) 15.231 18.985 ( 1.717 0.000 0.224) 1.732 18.992 ( 1.805 0.000 -0.410) 1.851 19.604 ( -0.921 0.000 1.425) 1.697 19.635 ( -0.965 0.000 -1.650) 1.912 20.871 ( 6.099 0.000 0.198) 6.103 20.875 ( 5.033 0.000 -0.180) 5.036 21.430 ( -1.636 0.000 0.202) 1.648 21.435 ( -1.543 0.000 -0.273) 1.567 24.475 ( -1.171 0.000 3.524) 3.713 24.542 ( -0.894 0.000 -3.139) 3.264 24.968 ( -1.802 0.000 2.455) 3.046 25.012 ( -1.397 0.000 -1.975) 2.419 32.011 ( -2.515 0.000 0.154) 2.520 32.015 ( -2.657 0.000 -0.233) 2.667 32.328 ( -1.473 0.000 0.143) 1.480 32.331 ( -1.433 0.000 -0.180) 1.444 42.579 ( -1.729 0.000 0.642) 1.844 42.599 ( 0.435 0.000 -1.354) 1.422 43.320 ( 13.882 0.000 9.289) 16.703 43.397 ( 4.079 0.000 2.909) 5.010 43.813 ( 2.057 0.000 6.580) 6.894 44.004 ( 11.465 0.000 -13.810) 17.949 44.357 ( 0.103 0.000 2.457) 2.459 44.528 ( 12.140 0.000 -15.054) 19.339 ======================= Grid point 300 (94/120) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 11.143 0.000 9.799) 14.839 2.107 ( 4.173 0.000 9.126) 10.035 2.635 ( 7.318 0.000 -6.613) 9.863 2.645 ( 11.444 0.000 -6.571) 13.196 3.011 ( -7.006 0.000 9.249) 11.603 3.210 ( -3.166 0.000 -9.267) 9.793 3.791 ( 10.521 0.000 5.220) 11.745 3.798 ( 0.592 0.000 2.974) 3.032 4.107 ( 5.885 0.000 5.789) 8.255 4.210 ( -0.958 0.000 -4.424) 4.526 4.416 ( -4.943 0.000 5.394) 7.316 4.482 ( 11.457 0.000 10.363) 15.448 4.614 ( 4.834 0.000 -7.301) 8.757 4.762 ( 16.135 0.000 -12.826) 20.612 5.199 ( -0.464 0.000 2.436) 2.480 5.292 ( -1.883 0.000 -5.756) 6.056 5.333 ( 1.128 0.000 -0.968) 1.486 5.367 ( 5.259 0.000 -3.207) 6.160 5.825 ( -1.430 0.000 1.282) 1.921 5.834 ( 1.945 0.000 0.762) 2.089 6.185 ( 1.701 0.000 4.585) 4.891 6.270 ( 1.656 0.000 -3.407) 3.788 6.549 ( 10.574 0.000 2.219) 10.804 6.576 ( 7.757 0.000 -0.308) 7.763 6.870 ( 3.328 0.000 0.391) 3.351 6.886 ( 4.437 0.000 -1.309) 4.627 7.088 ( 5.192 0.000 6.353) 8.205 7.185 ( 8.066 0.000 -1.336) 8.176 7.418 ( -2.290 0.000 -1.712) 2.860 7.428 ( -0.467 0.000 -1.465) 1.538 7.981 ( 5.435 0.000 4.821) 7.266 8.048 ( 5.090 0.000 0.350) 5.102 8.185 ( -1.184 0.000 3.343) 3.547 8.284 ( -3.695 0.000 -6.480) 7.459 8.823 ( -14.135 0.000 5.326) 15.105 8.971 ( -9.359 0.000 -7.760) 12.158 19.017 ( 1.463 0.000 0.271) 1.488 19.025 ( 1.547 0.000 -0.549) 1.641 19.593 ( -0.231 0.000 1.375) 1.394 19.624 ( -0.246 0.000 -1.680) 1.698 20.962 ( 3.819 0.000 0.989) 3.945 20.981 ( 4.940 0.000 -0.880) 5.018 21.405 ( -0.891 0.000 0.249) 0.925 21.412 ( -0.757 0.000 -0.403) 0.857 24.454 ( -0.871 0.000 3.663) 3.765 24.525 ( -0.787 0.000 -3.314) 3.406 24.939 ( -1.124 0.000 2.565) 2.800 24.988 ( -1.048 0.000 -2.242) 2.475 31.968 ( -2.065 0.000 -0.102) 2.067 31.969 ( -1.744 0.000 -0.228) 1.759 32.299 ( -1.415 0.000 0.196) 1.429 32.304 ( -1.343 0.000 -0.248) 1.365 42.532 ( -2.448 0.000 2.696) 3.642 42.592 ( -0.602 0.000 -3.210) 3.266 43.339 ( -7.046 0.000 10.402) 12.564 43.485 ( 0.370 0.000 -1.645) 1.686 43.862 ( 5.660 0.000 16.958) 17.878 44.291 ( 15.434 0.000 -22.322) 27.138 44.429 ( 6.174 0.000 11.878) 13.387 44.753 ( 9.803 0.000 -21.168) 23.328 ======================= Grid point 301 (95/120) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.246 0.000 13.066) 13.068 2.312 ( 10.660 0.000 1.205) 10.728 2.656 ( -4.760 0.000 -3.807) 6.095 2.778 ( 1.299 0.000 -10.929) 11.006 3.002 ( 6.022 0.000 14.195) 15.419 3.268 ( 8.327 0.000 -11.133) 13.902 3.782 ( -2.906 0.000 5.041) 5.818 3.856 ( -1.040 0.000 -2.286) 2.511 4.111 ( -6.192 0.000 5.416) 8.226 4.199 ( -1.141 0.000 7.623) 7.708 4.394 ( 5.016 0.000 2.851) 5.769 4.628 ( 4.583 0.000 -6.813) 8.211 4.807 ( 10.823 0.000 7.594) 13.222 4.986 ( 5.654 0.000 -7.587) 9.462 5.219 ( -3.521 0.000 -3.220) 4.771 5.220 ( 2.735 0.000 -3.379) 4.347 5.390 ( 2.890 0.000 1.938) 3.480 5.474 ( 5.990 0.000 -6.142) 8.579 5.776 ( -3.236 0.000 5.452) 6.340 5.878 ( 1.398 0.000 -3.972) 4.211 6.236 ( 3.969 0.000 4.194) 5.774 6.309 ( 4.057 0.000 -2.597) 4.817 6.604 ( -4.591 0.000 -0.188) 4.595 6.634 ( -2.040 0.000 -2.458) 3.194 6.961 ( 4.408 0.000 4.865) 6.565 6.983 ( 5.469 0.000 1.923) 5.797 7.191 ( 5.654 0.000 3.245) 6.519 7.250 ( -1.969 0.000 1.620) 2.549 7.417 ( 2.514 0.000 -4.328) 5.005 7.433 ( 0.154 0.000 -2.315) 2.321 8.049 ( 2.371 0.000 4.425) 5.021 8.100 ( 1.011 0.000 4.154) 4.276 8.196 ( 1.729 0.000 -1.857) 2.538 8.224 ( -1.843 0.000 -8.315) 8.516 8.626 ( -6.592 0.000 10.884) 12.724 8.851 ( -3.589 0.000 -10.433) 11.033 19.040 ( 0.841 0.000 0.283) 0.888 19.049 ( 0.870 0.000 -0.646) 1.084 19.592 ( 0.076 0.000 1.374) 1.377 19.622 ( 0.028 0.000 -1.604) 1.604 21.018 ( 1.892 0.000 1.794) 2.607 21.054 ( 2.433 0.000 -1.708) 2.972 21.396 ( -0.179 0.000 0.429) 0.465 21.406 ( 0.054 0.000 -0.604) 0.607 24.441 ( -0.447 0.000 3.638) 3.666 24.513 ( -0.447 0.000 -3.382) 3.411 24.924 ( -0.517 0.000 2.500) 2.553 24.973 ( -0.531 0.000 -2.320) 2.380 31.938 ( -1.049 0.000 0.113) 1.055 31.944 ( -0.839 0.000 -0.538) 0.997 32.276 ( -0.876 0.000 0.257) 0.913 32.282 ( -0.828 0.000 -0.309) 0.884 42.496 ( -1.169 0.000 4.405) 4.558 42.587 ( 0.110 0.000 -4.605) 4.606 43.202 ( -5.868 0.000 10.755) 12.252 43.403 ( -5.590 0.000 -8.756) 10.388 44.000 ( 6.279 0.000 26.161) 26.904 44.543 ( 4.591 0.000 14.650) 15.353 44.548 ( 10.266 0.000 -26.867) 28.762 44.882 ( 3.495 0.000 -19.692) 20.000 ======================= Grid point 302 (96/120) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.000 0.000 15.626) 15.626 2.480 ( 0.000 0.000 -17.671) 17.671 2.536 ( -0.000 0.000 12.046) 12.046 2.780 ( 0.000 0.000 -11.389) 11.389 3.088 ( 0.000 0.000 14.560) 14.560 3.395 ( -0.000 0.000 -14.997) 14.997 3.719 ( 0.000 0.000 8.277) 8.277 3.833 ( -0.000 0.000 -3.425) 3.425 4.046 ( 0.000 0.000 9.065) 9.065 4.166 ( 0.000 0.000 7.548) 7.548 4.466 ( 0.000 0.000 0.545) 0.545 4.676 ( 0.000 0.000 -8.081) 8.081 4.925 ( 0.000 0.000 6.382) 6.382 5.026 ( 0.000 0.000 -3.960) 3.960 5.178 ( 0.000 0.000 0.467) 0.467 5.254 ( 0.000 0.000 -5.530) 5.530 5.425 ( 0.000 0.000 3.925) 3.925 5.556 ( 0.000 0.000 -8.507) 8.507 5.733 ( 0.000 0.000 6.757) 6.757 5.878 ( 0.000 0.000 -6.537) 6.537 6.300 ( 0.000 0.000 6.433) 6.433 6.449 ( 0.000 0.000 5.557) 5.557 6.450 ( -0.000 0.000 -8.443) 8.443 6.579 ( 0.000 0.000 -6.656) 6.656 6.999 ( 0.000 0.000 9.267) 9.267 7.053 ( 0.000 0.000 5.456) 5.456 7.209 ( 0.000 0.000 1.059) 1.059 7.274 ( 0.000 0.000 -4.893) 4.893 7.418 ( 0.000 0.000 -0.328) 0.328 7.448 ( 0.000 0.000 -4.918) 4.918 8.077 ( 0.000 0.000 3.713) 3.713 8.119 ( 0.000 0.000 5.963) 5.963 8.202 ( 0.000 0.000 -8.187) 8.187 8.217 ( 0.000 0.000 -3.629) 3.629 8.561 ( 0.000 0.000 13.585) 13.585 8.817 ( 0.000 0.000 -11.406) 11.406 19.048 ( 0.000 0.000 0.279) 0.279 19.058 ( 0.000 0.000 -0.675) 0.675 19.593 ( 0.000 0.000 1.370) 1.370 19.623 ( 0.000 0.000 -1.548) 1.548 21.036 ( 0.000 0.000 2.033) 2.033 21.077 ( 0.000 0.000 -1.960) 1.960 21.395 ( 0.000 0.000 0.558) 0.558 21.408 ( 0.000 0.000 -0.749) 0.749 24.437 ( 0.000 0.000 3.612) 3.612 24.508 ( 0.000 0.000 -3.395) 3.395 24.919 ( 0.000 0.000 2.464) 2.464 24.967 ( 0.000 0.000 -2.331) 2.331 31.928 ( 0.000 0.000 0.206) 0.206 31.936 ( 0.000 0.000 -0.644) 0.644 32.267 ( 0.000 0.000 0.281) 0.281 32.273 ( 0.000 0.000 -0.333) 0.333 42.485 ( 0.000 0.000 5.158) 5.158 42.590 ( 0.000 0.000 -5.190) 5.190 43.141 ( 0.000 0.000 10.344) 10.344 43.341 ( 0.000 0.000 -9.234) 9.234 44.064 ( 0.000 0.000 27.930) 27.930 44.589 ( 0.000 0.000 14.932) 14.932 44.656 ( 0.000 0.000 -30.464) 30.464 44.909 ( 0.000 0.000 -16.511) 16.511 ======================= Grid point 308 (97/120) ======================= q-point: ( 0.00 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 4.036 24.098) 24.433 1.789 ( 0.000 4.771 24.852) 25.305 2.166 ( 0.000 1.714 -20.959) 21.029 2.258 ( 0.000 2.345 -21.096) 21.226 2.963 ( 0.000 6.618 29.865) 30.590 3.394 ( 0.000 -0.336 -11.176) 11.181 3.489 ( 0.000 -6.147 6.473) 8.926 3.626 ( 0.000 -5.609 -6.883) 8.879 3.843 ( 0.000 3.402 12.301) 12.763 4.081 ( 0.000 1.652 -8.536) 8.694 4.233 ( 0.000 2.118 3.025) 3.693 4.299 ( 0.000 2.697 -3.308) 4.268 4.373 ( 0.000 -5.123 2.540) 5.718 4.538 ( 0.000 1.709 -14.416) 14.517 5.065 ( 0.000 3.783 3.422) 5.101 5.143 ( 0.000 3.122 -4.435) 5.423 5.380 ( 0.000 -4.629 6.631) 8.086 5.527 ( 0.000 -3.586 -6.035) 7.020 5.690 ( 0.000 -0.132 5.199) 5.201 5.704 ( 0.000 3.021 7.015) 7.638 5.771 ( 0.000 0.273 -3.059) 3.071 5.922 ( 0.000 5.235 -12.591) 13.636 6.416 ( 0.000 -0.414 4.356) 4.376 6.463 ( 0.000 -2.957 4.800) 5.638 6.515 ( 0.000 2.235 -5.375) 5.821 6.534 ( 0.000 0.142 -2.042) 2.047 7.191 ( 0.000 7.934 4.660) 9.201 7.292 ( 0.000 12.698 -5.133) 13.696 7.332 ( 0.000 0.200 1.713) 1.725 7.364 ( 0.000 -0.749 -1.365) 1.557 7.659 ( 0.000 0.384 -0.377) 0.538 7.676 ( 0.000 0.770 -2.075) 2.213 8.238 ( 0.000 -0.574 7.354) 7.377 8.339 ( 0.000 -0.148 -2.885) 2.888 9.482 ( 0.000 -12.808 4.745) 13.659 9.576 ( 0.000 -11.945 -4.482) 12.759 18.941 ( 0.000 0.024 0.282) 0.283 18.947 ( 0.000 -0.011 -0.310) 0.310 19.643 ( 0.000 0.371 1.758) 1.797 19.679 ( 0.000 0.261 -1.763) 1.782 20.716 ( 0.000 -0.076 0.958) 0.961 20.735 ( 0.000 -0.072 -0.955) 0.958 21.480 ( 0.000 0.156 0.365) 0.397 21.487 ( 0.000 0.669 -0.421) 0.790 24.498 ( 0.000 -0.797 3.170) 3.269 24.560 ( 0.000 -0.333 -2.975) 2.993 25.009 ( 0.000 -1.393 1.972) 2.415 25.046 ( 0.000 -0.485 -1.761) 1.827 32.080 ( 0.000 -0.215 0.410) 0.463 32.086 ( 0.000 0.080 -0.253) 0.266 32.372 ( 0.000 0.894 0.838) 1.225 32.390 ( 0.000 1.645 -0.929) 1.889 42.439 ( 0.000 -2.158 1.476) 2.614 42.474 ( 0.000 -0.636 -1.997) 2.096 43.040 ( 0.000 3.133 5.705) 6.508 43.147 ( 0.000 6.577 -4.463) 7.948 43.706 ( 0.000 1.293 9.613) 9.700 43.896 ( 0.000 1.593 -9.123) 9.261 44.416 ( 0.000 11.946 3.083) 12.338 44.543 ( 0.000 9.147 -8.651) 12.590 ======================= Grid point 309 (98/120) ======================= q-point: ( 0.10 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 6.206 3.495 21.358) 22.514 1.865 ( 8.476 5.761 20.656) 23.059 2.233 ( 6.588 0.802 -17.172) 18.410 2.321 ( 6.657 3.942 -19.763) 21.223 3.054 ( 8.407 4.269 24.897) 26.622 3.341 ( -1.998 -2.016 -3.556) 4.549 3.617 ( 1.213 -1.512 5.647) 5.971 3.706 ( 10.155 -2.562 -1.932) 10.649 3.806 ( 2.282 0.333 4.605) 5.150 4.012 ( -4.129 6.490 -9.463) 12.195 4.237 ( 1.289 -3.086 1.000) 3.491 4.286 ( 0.338 -2.143 -3.515) 4.131 4.481 ( 6.864 -0.416 2.267) 7.240 4.595 ( 3.676 2.077 -10.389) 11.214 5.091 ( 2.634 3.431 1.982) 4.758 5.148 ( 0.940 1.411 -3.336) 3.742 5.394 ( 0.567 -0.794 4.636) 4.738 5.490 ( -3.094 -0.121 -2.252) 3.828 5.673 ( 3.835 -1.551 2.498) 4.833 5.789 ( 2.843 1.557 -6.183) 6.981 5.898 ( 12.027 0.312 6.428) 13.641 6.021 ( 8.327 2.126 -5.565) 10.239 6.353 ( -1.596 2.116 0.257) 2.663 6.378 ( -3.921 0.712 -1.523) 4.266 6.620 ( 6.995 -2.772 1.449) 7.663 6.647 ( 6.784 -1.216 -0.751) 6.933 7.101 ( -5.266 4.720 3.066) 7.708 7.155 ( -6.385 6.097 -2.252) 9.111 7.420 ( 3.539 2.079 1.817) 4.488 7.468 ( 4.795 5.173 -2.798) 7.589 7.712 ( 5.423 0.837 0.881) 5.557 7.752 ( 7.444 0.844 -2.644) 7.945 8.229 ( -0.895 -0.942 7.367) 7.481 8.335 ( -0.408 -0.493 -3.332) 3.393 9.360 ( -12.035 -12.136 4.194) 17.599 9.446 ( -12.046 -9.190 -4.312) 15.753 18.954 ( 1.283 0.009 0.335) 1.326 18.962 ( 1.489 0.136 -0.444) 1.559 19.630 ( -1.209 0.333 1.583) 2.020 19.662 ( -1.470 0.222 -1.603) 2.187 20.762 ( 4.420 -0.090 0.746) 4.483 20.778 ( 4.076 -0.245 -0.822) 4.166 21.462 ( -1.625 0.038 0.472) 1.693 21.472 ( -1.480 0.480 -0.458) 1.622 24.490 ( -0.816 -0.644 3.353) 3.510 24.554 ( -0.590 -0.297 -3.055) 3.126 24.994 ( -1.426 -1.000 2.248) 2.844 25.035 ( -1.090 -0.384 -1.869) 2.197 32.059 ( -1.957 0.028 0.393) 1.996 32.065 ( -1.971 0.219 -0.243) 1.998 32.360 ( -1.155 0.771 0.735) 1.571 32.376 ( -1.365 1.428 -0.781) 2.124 42.494 ( 3.204 -4.139 0.716) 5.283 42.516 ( 2.904 -3.638 -1.523) 4.898 43.118 ( 8.247 3.151 7.465) 11.561 43.245 ( 9.249 4.274 -4.241) 11.036 43.742 ( 3.829 1.187 8.466) 9.367 43.909 ( 1.271 0.921 -8.103) 8.254 44.449 ( 2.773 10.945 -0.757) 11.316 44.541 ( 1.331 11.568 -8.867) 14.636 ======================= Grid point 310 (99/120) ======================= q-point: ( 0.20 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 9.106 4.581 16.895) 19.732 2.049 ( 9.351 6.151 10.574) 15.398 2.409 ( 10.732 1.024 -8.813) 13.924 2.499 ( 11.032 4.632 -14.312) 18.655 3.163 ( -1.469 -0.092 10.863) 10.962 3.307 ( -2.291 -0.530 -3.516) 4.230 3.604 ( 4.609 7.456 15.961) 18.209 3.818 ( -1.133 0.556 -4.295) 4.477 3.983 ( 10.301 -3.153 2.614) 11.086 4.055 ( 10.382 1.948 -3.306) 11.068 4.317 ( 3.633 -2.034 -1.741) 4.513 4.350 ( 9.852 -5.002 -2.238) 11.273 4.566 ( 1.829 2.590 -0.334) 3.188 4.640 ( 1.973 2.997 -7.445) 8.265 5.146 ( 2.286 -0.670 2.095) 3.172 5.200 ( 4.296 -0.540 -3.227) 5.400 5.386 ( -0.829 4.865 1.353) 5.118 5.431 ( -3.012 2.420 -2.427) 4.562 5.773 ( 3.954 -1.651 1.393) 4.505 5.828 ( 0.899 0.536 -3.163) 3.332 6.119 ( 9.474 -1.081 4.640) 10.604 6.200 ( 8.092 0.967 -2.339) 8.479 6.333 ( 3.945 1.722 4.983) 6.585 6.454 ( 8.045 3.914 -5.669) 10.592 6.730 ( 5.339 -5.464 1.727) 7.832 6.767 ( 4.674 -2.148 -1.811) 5.454 7.052 ( 0.734 2.962 3.494) 4.639 7.106 ( 2.070 3.877 -1.634) 4.689 7.451 ( 0.003 2.207 2.049) 3.011 7.506 ( -0.394 4.820 -3.135) 5.764 7.850 ( 7.517 0.616 3.029) 8.127 7.913 ( 7.873 0.215 -2.024) 8.132 8.204 ( -1.576 -1.335 6.629) 6.943 8.319 ( -1.532 -1.194 -4.586) 4.980 9.062 ( -16.796 -8.848 4.741) 19.567 9.180 ( -13.673 -4.742 -6.504) 15.866 18.985 ( 1.708 0.027 0.525) 1.787 18.997 ( 1.938 0.394 -0.725) 2.106 19.606 ( -1.034 0.178 1.346) 1.707 19.635 ( -1.105 0.008 -1.520) 1.879 20.864 ( 5.408 -0.497 0.547) 5.459 20.876 ( 5.600 -0.086 -0.595) 5.633 21.427 ( -1.694 -0.188 0.558) 1.793 21.438 ( -1.703 0.190 -0.530) 1.794 24.471 ( -1.016 -0.352 3.608) 3.765 24.540 ( -0.838 -0.203 -3.218) 3.332 24.963 ( -1.523 -0.402 2.550) 2.997 25.010 ( -1.313 -0.201 -2.117) 2.499 32.014 ( -2.421 0.327 0.214) 2.452 32.019 ( -2.602 0.358 -0.242) 2.638 32.333 ( -1.543 0.544 0.512) 1.714 32.344 ( -1.778 0.989 -0.558) 2.109 42.506 ( -1.561 -5.734 1.520) 6.134 42.545 ( -0.082 -5.378 -2.311) 5.854 43.313 ( 7.654 -1.863 9.224) 12.130 43.384 ( 3.586 -1.698 2.765) 4.836 43.839 ( 3.825 3.667 5.960) 7.975 43.992 ( 10.626 0.322 -8.644) 13.701 44.493 ( 3.063 12.123 -0.536) 12.515 44.658 ( 9.481 11.174 -16.105) 21.774 ======================= Grid point 311 (100/120) ======================= q-point: ( 0.30 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 7.138 3.926 12.791) 15.165 2.227 ( 9.534 9.358 4.035) 13.955 2.611 ( 9.047 0.164 -1.319) 9.144 2.721 ( 10.943 5.471 -10.720) 16.267 3.061 ( -5.247 4.244 9.463) 11.623 3.257 ( -1.392 3.946 -8.760) 9.708 3.684 ( 0.560 -4.734 7.837) 9.173 3.801 ( -1.547 -2.282 -3.891) 4.769 4.133 ( 6.532 3.186 8.683) 11.323 4.267 ( 7.063 1.905 -4.129) 8.400 4.408 ( 1.742 0.511 7.313) 7.535 4.512 ( 9.453 -2.635 8.971) 13.296 4.614 ( 4.734 3.785 -8.335) 10.306 4.772 ( 12.132 0.847 -12.777) 17.639 5.185 ( 1.885 -0.785 3.487) 4.041 5.276 ( 2.790 -1.331 -5.019) 5.895 5.364 ( -2.121 3.212 -0.361) 3.865 5.393 ( 0.324 2.804 -3.178) 4.250 5.788 ( -0.352 -0.678 3.586) 3.666 5.860 ( 1.621 0.411 -3.220) 3.628 6.219 ( 1.465 2.965 3.857) 5.081 6.290 ( 3.027 1.318 -2.741) 4.291 6.506 ( 8.288 -1.984 5.150) 9.958 6.601 ( 6.257 0.358 -3.782) 7.320 6.819 ( 3.619 -3.353 1.979) 5.316 6.874 ( 7.126 -2.046 -3.088) 8.032 7.105 ( 3.701 1.865 7.695) 8.740 7.219 ( 7.598 2.191 -2.058) 8.171 7.440 ( -0.708 2.190 0.669) 2.397 7.472 ( -2.314 4.258 -2.862) 5.629 7.960 ( 3.350 -2.352 4.610) 6.164 8.029 ( 3.927 -2.129 0.081) 4.468 8.182 ( -0.176 0.080 2.845) 2.851 8.270 ( -3.126 -0.995 -6.253) 7.061 8.778 ( -11.415 -3.922 7.413) 14.165 8.962 ( -8.317 -1.538 -9.584) 12.783 19.016 ( 1.430 0.028 0.652) 1.572 19.032 ( 1.523 0.480 -0.895) 1.830 19.593 ( -0.313 -0.012 1.305) 1.342 19.622 ( -0.245 -0.144 -1.595) 1.620 20.956 ( 3.896 -0.627 1.155) 4.112 20.979 ( 4.588 -0.297 -1.093) 4.725 21.404 ( -0.715 -0.117 0.418) 0.836 21.413 ( -0.778 0.072 -0.484) 0.919 24.453 ( -0.780 -0.130 3.673) 3.757 24.524 ( -0.737 -0.099 -3.336) 3.418 24.938 ( -1.016 -0.085 2.561) 2.757 24.987 ( -0.994 -0.060 -2.273) 2.482 31.971 ( -2.021 0.301 -0.025) 2.044 31.973 ( -1.876 0.358 -0.235) 1.924 32.303 ( -1.396 0.433 0.310) 1.494 32.311 ( -1.562 0.627 -0.373) 1.724 42.462 ( -2.440 -6.169 3.069) 7.309 42.530 ( -0.950 -5.936 -3.664) 7.040 43.277 ( -6.587 -5.585 9.841) 13.093 43.430 ( -2.477 -5.882 -3.926) 7.493 43.932 ( 7.393 7.018 18.102) 20.775 44.273 ( 15.287 1.096 -6.520) 16.655 44.585 ( 5.733 11.972 -1.702) 13.383 44.841 ( 8.164 7.894 -21.167) 24.021 ======================= Grid point 312 (101/120) ======================= q-point: ( 0.40 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.256 4.991 14.046) 14.959 2.415 ( 9.033 8.724 -4.071) 13.202 2.707 ( -0.004 4.902 1.286) 5.068 2.861 ( 2.657 7.098 -9.529) 12.175 3.060 ( 5.714 6.344 12.387) 15.044 3.309 ( 6.845 3.685 -10.366) 12.957 3.648 ( -4.017 -9.217 4.826) 11.153 3.730 ( -5.099 -7.836 -3.618) 10.024 4.152 ( -2.300 3.083 8.335) 9.179 4.289 ( -4.435 0.980 -1.637) 4.828 4.474 ( 6.787 8.863 8.639) 14.116 4.702 ( 6.085 2.587 -4.885) 8.221 4.776 ( 11.536 0.244 6.633) 13.310 4.987 ( 7.715 -0.922 -11.147) 13.588 5.199 ( -1.425 1.154 2.700) 3.264 5.269 ( -2.191 3.505 -3.999) 5.752 5.360 ( 1.809 -2.441 1.825) 3.545 5.453 ( 5.452 -1.722 -6.990) 9.030 5.776 ( -1.195 0.866 5.084) 5.293 5.886 ( 0.781 0.894 -4.937) 5.077 6.253 ( 3.024 1.433 4.439) 5.559 6.337 ( 3.235 2.030 -3.072) 4.902 6.562 ( -2.444 -2.894 1.743) 4.170 6.631 ( -3.341 -1.626 -4.712) 6.001 6.922 ( 4.732 -3.146 5.107) 7.640 6.982 ( 4.985 -0.379 0.114) 5.001 7.182 ( 3.828 0.171 5.276) 6.521 7.293 ( -1.261 2.666 -0.930) 3.092 7.415 ( -0.352 1.173 0.398) 1.287 7.490 ( 3.074 4.153 -3.413) 6.192 8.007 ( 2.686 -3.544 4.174) 6.099 8.078 ( 2.067 -2.982 1.218) 3.827 8.189 ( -0.088 0.034 -1.922) 1.925 8.225 ( -1.489 -0.049 -5.237) 5.444 8.623 ( -5.077 -0.251 10.972) 12.092 8.854 ( -3.228 -0.020 -11.099) 11.559 19.038 ( 0.786 -0.054 0.673) 1.036 19.054 ( 0.798 0.379 -0.949) 1.296 19.591 ( 0.053 -0.110 1.377) 1.382 19.622 ( 0.112 -0.059 -1.658) 1.663 21.012 ( 1.877 -0.618 1.671) 2.588 21.044 ( 2.169 -0.821 -1.534) 2.781 21.397 ( -0.107 0.098 0.528) 0.548 21.409 ( 0.236 0.269 -0.705) 0.791 24.441 ( -0.408 -0.014 3.629) 3.652 24.512 ( -0.420 -0.025 -3.380) 3.406 24.924 ( -0.486 0.030 2.483) 2.530 24.973 ( -0.510 0.011 -2.317) 2.373 31.940 ( -1.096 0.212 0.141) 1.125 31.947 ( -0.897 0.224 -0.517) 1.059 32.281 ( -0.863 0.450 0.224) 0.999 32.286 ( -0.899 0.419 -0.286) 1.033 42.424 ( -1.325 -6.580 4.503) 8.082 42.518 ( -0.229 -6.649 -4.810) 8.209 43.150 ( -5.420 -4.853 9.618) 12.059 43.332 ( -5.415 -6.667 -8.151) 11.841 44.078 ( 6.133 7.377 25.975) 27.690 44.525 ( 9.858 2.023 2.637) 10.403 44.686 ( 4.081 9.392 -13.263) 16.756 44.951 ( 3.104 6.275 -20.194) 21.373 ======================= Grid point 313 (102/120) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.000 5.698 15.740) 16.740 2.529 ( 0.000 4.456 -16.718) 17.302 2.671 ( 0.000 11.917 10.689) 16.009 2.881 ( 0.000 8.867 -8.509) 12.289 3.147 ( 0.000 6.914 12.412) 14.208 3.439 ( -0.000 4.869 -14.719) 15.503 3.553 ( 0.000 -12.638 8.061) 14.990 3.667 ( -0.000 -11.015 -3.254) 11.486 4.122 ( 0.000 3.730 8.317) 9.115 4.234 ( 0.000 1.689 1.870) 2.520 4.547 ( 0.000 7.674 5.954) 9.713 4.765 ( 0.000 6.135 -8.344) 10.357 4.917 ( 0.000 -1.164 7.938) 8.023 5.057 ( 0.000 2.344 -5.924) 6.371 5.148 ( 0.000 -0.812 3.448) 3.542 5.257 ( 0.000 1.088 -7.112) 7.194 5.387 ( 0.000 -3.149 4.616) 5.588 5.527 ( 0.000 -2.242 -8.727) 9.010 5.756 ( 0.000 2.515 5.641) 6.176 5.887 ( 0.000 1.150 -6.198) 6.304 6.305 ( 0.000 0.100 6.009) 6.010 6.444 ( 0.000 -1.017 -7.667) 7.734 6.453 ( 0.000 0.279 4.477) 4.485 6.565 ( 0.000 -1.396 -6.197) 6.352 6.954 ( 0.000 -2.742 8.713) 9.135 7.064 ( -0.000 -0.350 0.703) 0.785 7.202 ( 0.000 -0.708 1.887) 2.016 7.279 ( 0.000 0.124 -5.221) 5.222 7.409 ( 0.000 1.779 5.177) 5.474 7.526 ( 0.000 4.909 -4.393) 6.588 8.054 ( 0.000 -2.026 3.295) 3.868 8.110 ( 0.000 -0.919 6.015) 6.085 8.170 ( 0.000 -2.707 -7.646) 8.110 8.209 ( -0.000 -0.762 -3.748) 3.824 8.573 ( 0.000 1.175 12.539) 12.594 8.824 ( 0.000 0.399 -11.626) 11.633 19.045 ( 0.000 -0.112 0.667) 0.676 19.062 ( 0.000 0.305 -0.956) 1.004 19.592 ( 0.000 -0.126 1.417) 1.422 19.623 ( 0.000 0.027 -1.675) 1.675 21.030 ( 0.000 -0.636 1.811) 1.919 21.065 ( 0.000 -1.055 -1.644) 1.953 21.396 ( 0.000 0.160 0.713) 0.730 21.413 ( 0.000 0.446 -0.943) 1.043 24.437 ( 0.000 0.021 3.600) 3.600 24.508 ( 0.000 0.001 -3.387) 3.387 24.919 ( 0.000 0.057 2.447) 2.447 24.968 ( 0.000 0.031 -2.322) 2.322 31.929 ( 0.000 0.160 0.225) 0.277 31.938 ( 0.000 0.165 -0.627) 0.648 32.272 ( 0.000 0.464 0.221) 0.514 32.277 ( 0.000 0.367 -0.279) 0.461 42.411 ( 0.000 -6.817 5.146) 8.541 42.518 ( 0.000 -7.036 -5.313) 8.816 43.094 ( 0.000 -4.453 9.175) 10.199 43.273 ( 0.000 -6.343 -8.455) 10.570 44.140 ( 0.000 7.188 27.904) 28.815 44.625 ( 0.000 3.551 16.666) 17.040 44.728 ( 0.000 6.876 -30.170) 30.944 44.976 ( 0.000 6.152 -17.803) 18.835 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.000 6.867 20.230) 21.364 1.951 ( 0.000 11.505 20.410) 23.429 2.201 ( 0.000 1.408 -17.153) 17.211 2.356 ( 0.000 7.433 -19.379) 20.756 3.086 ( 0.000 5.486 19.923) 20.664 3.361 ( 0.000 -6.148 5.455) 8.220 3.377 ( 0.000 -0.837 -7.453) 7.500 3.499 ( 0.000 -6.623 -8.021) 10.402 3.957 ( 0.000 7.603 10.695) 13.122 4.115 ( 0.000 0.855 -5.217) 5.286 4.235 ( 0.000 -8.610 6.770) 10.953 4.280 ( 0.000 2.384 3.489) 4.226 4.345 ( 0.000 1.690 -2.794) 3.265 4.525 ( 0.000 -3.686 -17.232) 17.622 5.152 ( 0.000 4.452 2.590) 5.151 5.212 ( 0.000 3.445 -3.505) 4.915 5.380 ( 0.000 4.708 6.731) 8.214 5.535 ( 0.000 5.735 -7.249) 9.243 5.681 ( 0.000 -0.834 5.926) 5.985 5.771 ( 0.000 -0.381 -3.172) 3.194 5.783 ( 0.000 4.549 8.301) 9.465 5.993 ( 0.000 2.422 -9.954) 10.244 6.411 ( 0.000 -0.449 2.517) 2.557 6.417 ( 0.000 -1.378 6.784) 6.923 6.528 ( 0.000 -0.798 -7.949) 7.989 6.539 ( 0.000 0.721 -4.989) 5.040 7.316 ( 0.000 -1.786 1.588) 2.390 7.356 ( 0.000 -0.289 -1.944) 1.966 7.390 ( 0.000 11.231 9.528) 14.728 7.564 ( 0.000 13.872 -7.112) 15.589 7.669 ( 0.000 0.648 0.592) 0.878 7.696 ( 0.000 1.063 -2.005) 2.269 8.218 ( 0.000 -1.456 8.488) 8.612 8.344 ( 0.000 0.958 -4.152) 4.261 9.155 ( 0.000 -19.251 5.758) 20.094 9.275 ( 0.000 -17.925 -5.959) 18.890 18.941 ( 0.000 0.033 0.238) 0.240 18.946 ( 0.000 -0.017 -0.268) 0.269 19.650 ( 0.000 0.253 1.681) 1.700 19.684 ( 0.000 0.252 -1.717) 1.735 20.714 ( 0.000 -0.107 0.963) 0.968 20.733 ( 0.000 -0.101 -0.961) 0.967 21.482 ( 0.000 0.081 0.810) 0.814 21.498 ( 0.000 0.350 -0.792) 0.866 24.481 ( 0.000 -0.854 3.692) 3.790 24.552 ( 0.000 -0.487 -3.329) 3.365 24.983 ( 0.000 -1.125 2.656) 2.884 25.033 ( 0.000 -0.758 -2.324) 2.444 32.083 ( 0.000 0.523 0.647) 0.832 32.093 ( 0.000 0.623 -0.368) 0.724 32.388 ( 0.000 0.535 1.302) 1.408 32.414 ( 0.000 0.651 -1.257) 1.415 42.392 ( 0.000 -2.447 2.691) 3.637 42.453 ( 0.000 -1.314 -3.397) 3.642 43.119 ( 0.000 4.376 8.436) 9.503 43.258 ( 0.000 4.431 -4.207) 6.110 43.737 ( 0.000 1.740 10.079) 10.228 43.934 ( 0.000 2.152 -9.400) 9.643 44.677 ( 0.000 13.108 -2.000) 13.260 44.768 ( 0.000 12.428 -10.253) 16.111 ======================= Grid point 320 (104/120) ======================= q-point: ( 0.10 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 7.383 7.242 17.167) 20.041 2.019 ( 7.039 10.241 16.881) 20.961 2.274 ( 7.546 2.632 -12.563) 14.890 2.438 ( 7.773 8.013 -18.530) 21.633 3.121 ( 2.979 2.397 15.385) 15.854 3.292 ( -1.520 -2.663 -1.287) 3.325 3.548 ( 10.605 -4.087 0.994) 11.409 3.605 ( 9.827 -6.179 -4.707) 12.526 3.935 ( -1.586 10.152 12.935) 16.519 4.126 ( -1.225 2.724 -5.191) 5.989 4.152 ( 0.833 -5.030 1.613) 5.348 4.262 ( -2.032 0.255 -4.794) 5.213 4.456 ( 7.530 -2.008 1.768) 7.992 4.581 ( 3.607 -3.651 -11.018) 12.155 5.176 ( 1.313 4.743 1.611) 5.179 5.207 ( 0.315 4.401 -1.255) 4.587 5.422 ( 3.583 3.906 3.992) 6.636 5.541 ( 0.281 5.966 -6.107) 8.542 5.666 ( 1.440 0.524 6.490) 6.669 5.804 ( 3.352 0.181 -5.897) 6.786 5.915 ( 9.781 1.410 7.806) 12.593 6.059 ( 5.729 1.500 -4.960) 7.725 6.372 ( -1.253 -0.881 1.228) 1.963 6.392 ( 0.591 1.468 -2.511) 2.968 6.583 ( 4.023 -0.736 -0.304) 4.101 6.631 ( 6.587 -0.364 -3.632) 7.531 7.179 ( -7.871 2.211 3.584) 8.927 7.234 ( -7.106 1.811 -1.779) 7.545 7.501 ( 3.662 6.225 5.338) 8.981 7.608 ( 1.969 7.676 -4.760) 9.244 7.730 ( 5.652 0.699 1.742) 5.955 7.781 ( 7.842 2.589 -2.583) 8.653 8.203 ( -1.317 -1.490 8.125) 8.365 8.331 ( -1.188 0.470 -4.662) 4.834 9.064 ( -8.820 -17.068 6.025) 20.135 9.196 ( -7.413 -15.500 -6.862) 18.501 18.955 ( 1.311 0.047 0.403) 1.373 18.964 ( 1.705 0.062 -0.519) 1.783 19.636 ( -1.259 0.275 1.518) 1.991 19.667 ( -1.556 0.276 -1.534) 2.203 20.760 ( 4.301 -0.172 0.562) 4.341 20.772 ( 3.788 -0.348 -0.650) 3.859 21.463 ( -1.802 0.018 0.868) 2.001 21.479 ( -1.765 0.248 -0.738) 1.929 24.475 ( -0.532 -0.711 3.723) 3.828 24.547 ( -0.490 -0.425 -3.341) 3.404 24.974 ( -0.846 -0.863 2.667) 2.928 25.024 ( -0.835 -0.594 -2.318) 2.534 32.065 ( -1.680 0.603 0.548) 1.867 32.074 ( -1.840 0.657 -0.299) 1.977 32.374 ( -1.259 0.567 1.139) 1.790 32.398 ( -1.555 0.692 -1.109) 2.032 42.413 ( 1.180 -3.830 1.534) 4.291 42.449 ( -0.718 -2.852 -2.070) 3.597 43.176 ( 5.238 2.324 8.623) 10.353 43.293 ( 2.439 0.687 -1.825) 3.122 43.795 ( 6.521 3.612 7.740) 10.746 43.942 ( 1.079 2.609 -7.329) 7.854 44.698 ( 1.947 12.867 -2.938) 13.341 44.792 ( 2.915 12.628 -11.868) 17.573 ======================= Grid point 321 (105/120) ======================= q-point: ( 0.20 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 8.963 7.869 14.515) 18.787 2.199 ( 10.842 8.814 6.509) 15.414 2.463 ( 10.419 3.893 -3.501) 11.661 2.629 ( 11.454 8.605 -14.862) 20.642 3.149 ( -0.852 -1.314 9.811) 9.935 3.294 ( 1.216 -0.609 -3.536) 3.788 3.698 ( 1.252 -0.434 6.598) 6.729 3.781 ( 6.006 -3.754 -3.113) 7.737 4.001 ( 10.309 6.244 9.390) 15.279 4.114 ( 3.729 1.248 0.044) 3.932 4.256 ( 7.725 -1.332 -2.189) 8.139 4.294 ( 4.596 -1.170 -4.683) 6.665 4.573 ( 5.047 -1.975 -0.827) 5.482 4.642 ( 3.592 -2.877 -7.753) 9.016 5.181 ( 0.080 4.002 2.882) 4.932 5.235 ( 1.711 4.057 -1.906) 4.798 5.471 ( 0.817 4.322 1.780) 4.745 5.526 ( -1.791 6.466 -2.602) 7.196 5.754 ( 5.770 -0.005 2.438) 6.264 5.845 ( 0.019 1.435 -4.935) 5.140 6.106 ( 10.053 -0.496 5.415) 11.430 6.198 ( 7.306 -0.871 -2.215) 7.684 6.383 ( 4.610 2.258 5.254) 7.346 6.517 ( 7.980 2.498 -6.842) 10.804 6.652 ( 4.633 -1.388 3.678) 6.076 6.743 ( 3.839 0.129 -5.004) 6.309 7.085 ( -0.955 -0.297 3.923) 4.049 7.149 ( -0.278 0.127 -2.323) 2.343 7.529 ( -0.235 5.520 4.939) 7.410 7.616 ( -1.020 5.736 -3.250) 6.671 7.844 ( 4.410 -1.875 3.840) 6.141 7.920 ( 5.236 0.611 -2.285) 5.745 8.181 ( -0.402 -0.522 6.179) 6.214 8.301 ( -1.896 -0.222 -5.562) 5.880 8.859 ( -10.788 -11.185 7.051) 17.064 9.030 ( -8.515 -10.094 -9.273) 16.137 18.987 ( 1.791 0.138 0.758) 1.950 19.004 ( 2.156 0.261 -0.974) 2.380 19.610 ( -1.251 0.179 1.255) 1.781 19.636 ( -1.388 0.115 -1.332) 1.927 20.854 ( 4.945 -0.544 0.735) 5.029 20.870 ( 5.737 -0.436 -0.909) 5.825 21.425 ( -1.810 -0.090 0.929) 2.036 21.441 ( -1.907 0.057 -0.674) 2.024 24.463 ( -0.709 -0.416 3.740) 3.829 24.535 ( -0.698 -0.283 -3.366) 3.449 24.955 ( -1.049 -0.395 2.631) 2.860 25.005 ( -1.073 -0.300 -2.322) 2.576 32.024 ( -2.366 0.666 0.276) 2.474 32.029 ( -2.603 0.636 -0.175) 2.685 32.345 ( -1.678 0.572 0.784) 1.938 32.361 ( -2.050 0.683 -0.814) 2.309 42.397 ( -2.789 -4.935 1.296) 5.815 42.429 ( -1.400 -5.659 -1.800) 6.101 43.247 ( -1.042 -4.019 7.362) 8.452 43.317 ( 0.690 -4.839 0.971) 4.983 43.956 ( 6.599 7.290 6.373) 11.717 44.041 ( 12.662 4.062 -0.325) 13.302 44.750 ( 3.467 12.819 -4.181) 13.922 44.886 ( 6.327 10.856 -16.795) 20.976 ======================= Grid point 322 (106/120) ======================= q-point: ( 0.30 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 7.337 7.925 12.983) 16.887 2.415 ( 10.460 8.577 -2.456) 13.748 2.650 ( 9.117 3.721 5.495) 11.276 2.855 ( 10.695 7.584 -12.526) 18.133 3.125 ( 0.245 1.736 10.133) 10.284 3.324 ( 1.984 2.707 -7.873) 8.559 3.643 ( -4.765 0.014 7.043) 8.504 3.784 ( -4.095 0.496 -6.768) 7.926 4.192 ( 4.108 2.018 7.772) 9.020 4.265 ( 7.323 -1.571 2.336) 7.845 4.389 ( 6.212 -3.087 1.763) 7.157 4.435 ( 10.462 -1.566 -0.338) 10.584 4.687 ( 7.970 1.255 -2.563) 8.465 4.768 ( 9.200 -2.173 -8.723) 12.863 5.204 ( 2.771 2.928 3.627) 5.423 5.279 ( 3.286 2.501 -3.054) 5.136 5.448 ( -2.902 4.976 0.465) 5.779 5.478 ( -3.139 5.727 -2.314) 6.929 5.815 ( 0.629 3.214 1.856) 3.764 5.869 ( 3.234 1.179 -3.262) 4.743 6.260 ( 2.424 0.040 1.701) 2.962 6.292 ( 4.684 -1.312 -1.062) 4.979 6.504 ( 4.608 2.140 5.249) 7.305 6.593 ( 1.371 -0.009 -3.107) 3.396 6.769 ( 4.275 -1.491 1.532) 4.780 6.833 ( 8.007 -1.513 -4.185) 9.160 7.128 ( 4.200 -0.483 6.856) 8.055 7.231 ( 6.799 -1.581 -2.525) 7.424 7.508 ( -1.607 4.821 4.253) 6.627 7.574 ( -2.640 5.591 -3.168) 6.947 7.887 ( 1.045 -4.837 4.278) 6.542 7.966 ( 0.310 -3.969 -1.331) 4.198 8.197 ( 1.453 1.378 2.453) 3.167 8.265 ( -1.684 0.587 -4.823) 5.142 8.693 ( -5.910 -4.360 8.210) 11.015 8.898 ( -4.874 -4.930 -11.079) 13.069 19.019 ( 1.425 0.229 0.976) 1.742 19.040 ( 1.503 0.387 -1.165) 1.940 19.592 ( -0.513 -0.055 1.213) 1.318 19.619 ( -0.326 -0.130 -1.449) 1.490 20.941 ( 3.807 -0.820 1.402) 4.139 20.970 ( 4.201 -0.537 -1.494) 4.491 21.402 ( -0.475 -0.013 0.642) 0.799 21.414 ( -0.742 -0.006 -0.470) 0.878 24.450 ( -0.584 -0.163 3.683) 3.733 24.521 ( -0.618 -0.136 -3.378) 3.437 24.937 ( -0.802 -0.085 2.531) 2.656 24.986 ( -0.857 -0.088 -2.321) 2.475 31.979 ( -2.183 0.506 0.070) 2.242 31.982 ( -2.019 0.506 -0.185) 2.090 32.314 ( -1.437 0.540 0.437) 1.596 32.324 ( -1.756 0.614 -0.509) 1.929 42.333 ( -3.371 -6.299 2.666) 7.626 42.392 ( -2.115 -7.395 -3.107) 8.295 43.156 ( -6.453 -6.097 7.539) 11.647 43.282 ( -4.652 -8.218 -4.297) 10.376 44.102 ( 8.582 9.277 18.016) 22.007 44.337 ( 15.476 4.510 2.643) 16.335 44.825 ( 3.838 11.738 -7.819) 14.617 45.009 ( 5.612 8.172 -20.542) 22.809 ======================= Grid point 323 (107/120) ======================= q-point: ( 0.40 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 2.331 8.551 13.523) 16.169 2.572 ( 5.425 6.239 -9.731) 12.769 2.817 ( 6.992 5.422 9.334) 12.861 2.999 ( 5.077 6.077 -5.051) 9.392 3.219 ( 8.584 6.519 4.986) 11.877 3.358 ( 0.526 1.891 -3.127) 3.692 3.554 ( -3.543 0.889 1.637) 4.003 3.677 ( -6.212 3.431 -8.131) 10.792 4.173 ( -3.276 -1.126 7.089) 7.890 4.269 ( -3.738 -1.728 -0.960) 4.228 4.560 ( 7.574 -2.606 5.387) 9.653 4.641 ( 10.738 -3.121 1.427) 11.273 4.848 ( 5.975 1.512 0.564) 6.189 4.950 ( 8.486 -2.279 -7.321) 11.437 5.273 ( 2.374 4.680 3.743) 6.445 5.329 ( -0.336 2.447 -0.270) 2.484 5.386 ( -2.558 6.839 -0.263) 7.306 5.446 ( 2.554 1.949 -6.306) 7.077 5.830 ( 0.733 4.621 2.880) 5.494 5.920 ( 1.559 2.606 -4.995) 5.846 6.269 ( 0.609 -0.406 3.934) 4.001 6.352 ( 1.936 -1.287 -3.683) 4.355 6.519 ( -2.431 -0.878 1.186) 2.843 6.574 ( -3.165 -3.095 -4.082) 6.022 6.876 ( 5.188 -1.215 5.181) 7.432 6.964 ( 5.678 -1.204 -2.817) 6.451 7.188 ( 0.838 -0.373 5.600) 5.674 7.306 ( -1.062 -1.960 -4.296) 4.840 7.468 ( -0.564 4.121 7.568) 8.636 7.575 ( 2.273 4.236 -2.410) 5.377 7.934 ( 4.595 -3.403 3.316) 6.610 8.000 ( 4.090 -4.083 -0.668) 5.818 8.201 ( -2.231 0.930 -1.039) 2.631 8.223 ( -2.500 -0.154 -2.752) 3.721 8.620 ( -2.043 0.135 8.772) 9.007 8.836 ( -1.778 -1.924 -11.434) 11.730 19.040 ( 0.700 0.218 1.004) 1.243 19.061 ( 0.656 0.295 -1.111) 1.324 19.588 ( -0.007 -0.201 1.381) 1.396 19.620 ( 0.227 -0.155 -1.747) 1.768 20.996 ( 1.840 -0.930 1.605) 2.612 21.027 ( 1.773 -0.813 -1.502) 2.462 21.399 ( 0.018 0.156 0.695) 0.713 21.414 ( 0.530 0.168 -0.746) 0.931 24.441 ( -0.319 -0.017 3.604) 3.618 24.512 ( -0.355 -0.035 -3.372) 3.391 24.925 ( -0.415 0.048 2.440) 2.475 24.973 ( -0.455 0.016 -2.307) 2.351 31.945 ( -1.225 0.308 0.200) 1.279 31.952 ( -1.044 0.314 -0.467) 1.186 32.291 ( -0.828 0.544 0.203) 1.011 32.296 ( -0.999 0.561 -0.280) 1.180 42.279 ( -2.023 -7.459 3.722) 8.578 42.358 ( -1.232 -8.912 -4.037) 9.861 43.040 ( -4.754 -5.763 7.097) 10.304 43.178 ( -4.824 -8.162 -6.425) 11.453 44.249 ( 5.806 9.250 25.426) 27.672 44.597 ( 10.604 4.545 9.259) 14.793 44.880 ( 1.543 9.835 -17.276) 19.939 45.089 ( 2.569 6.991 -20.838) 22.129 ======================= Grid point 324 (108/120) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.000 8.903 14.386) 16.918 2.624 ( 0.000 4.549 -13.108) 13.875 2.881 ( 0.000 7.468 10.409) 12.810 3.074 ( 0.000 10.179 -7.009) 12.359 3.315 ( 0.000 -10.761 10.621) 15.119 3.373 ( 0.000 15.128 8.124) 17.171 3.509 ( 0.000 -4.612 -8.758) 9.898 3.600 ( 0.000 11.361 -12.355) 16.784 4.132 ( 0.000 -2.693 6.758) 7.275 4.219 ( 0.000 -2.204 -0.111) 2.207 4.634 ( 0.000 -0.877 6.089) 6.152 4.796 ( -0.000 -2.202 -7.329) 7.652 4.865 ( 0.000 -4.112 10.355) 11.142 5.061 ( 0.000 -2.969 -8.966) 9.445 5.236 ( 0.000 9.307 6.831) 11.545 5.353 ( 0.000 8.436 -4.298) 9.468 5.360 ( -0.000 1.529 5.157) 5.379 5.500 ( 0.000 -0.186 -8.373) 8.375 5.835 ( 0.000 5.573 2.614) 6.156 5.931 ( 0.000 3.399 -5.543) 6.502 6.286 ( 0.000 -2.243 4.738) 5.242 6.395 ( 0.000 -4.047 -5.994) 7.233 6.455 ( 0.000 -0.076 2.001) 2.003 6.529 ( 0.000 -2.050 -5.111) 5.507 6.924 ( 0.000 -0.102 6.691) 6.692 7.043 ( 0.000 -1.261 -3.535) 3.753 7.180 ( 0.000 -1.626 2.580) 3.050 7.262 ( 0.000 -2.062 -5.044) 5.449 7.478 ( 0.000 4.371 10.635) 11.498 7.604 ( 0.000 2.842 -1.219) 3.092 8.016 ( 0.000 -1.622 2.494) 2.975 8.087 ( 0.000 -1.271 6.120) 6.251 8.120 ( 0.000 -1.981 -6.327) 6.630 8.190 ( -0.000 -1.054 -4.045) 4.180 8.602 ( 0.000 1.728 8.817) 8.985 8.820 ( 0.000 -0.950 -11.440) 11.479 19.046 ( 0.000 0.182 0.991) 1.008 19.067 ( 0.000 0.209 -1.062) 1.083 19.589 ( 0.000 -0.230 1.484) 1.502 19.623 ( 0.000 -0.104 -1.892) 1.895 21.013 ( 0.000 -0.957 1.587) 1.854 21.044 ( 0.000 -0.954 -1.399) 1.694 21.400 ( 0.000 0.204 0.957) 0.979 21.421 ( 0.000 0.307 -1.110) 1.151 24.438 ( 0.000 0.030 3.569) 3.569 24.508 ( 0.000 0.001 -3.367) 3.367 24.921 ( 0.000 0.082 2.405) 2.407 24.968 ( 0.000 0.045 -2.299) 2.299 31.933 ( 0.000 0.227 0.266) 0.349 31.942 ( 0.000 0.223 -0.582) 0.624 32.283 ( 0.000 0.567 0.132) 0.582 32.286 ( 0.000 0.534 -0.203) 0.572 42.258 ( 0.000 -7.944 4.149) 8.962 42.346 ( 0.000 -9.604 -4.407) 10.567 42.991 ( 0.000 -5.452 6.747) 8.675 43.127 ( 0.000 -7.734 -6.648) 10.198 44.308 ( 0.000 9.074 27.711) 29.159 44.711 ( 0.000 4.700 19.558) 20.115 44.889 ( 0.000 8.643 -29.564) 30.802 45.112 ( 0.000 7.010 -19.960) 21.155 ======================= Grid point 330 (109/120) ======================= q-point: ( 0.00 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 7.090 14.012) 15.703 2.193 ( 0.000 11.764 15.671) 19.595 2.204 ( 0.000 -1.354 -9.353) 9.450 2.491 ( 0.000 4.514 -12.935) 13.700 3.205 ( 0.000 7.641 10.696) 13.145 3.272 ( 0.000 -2.775 2.812) 3.951 3.382 ( 0.000 1.281 -5.212) 5.367 3.389 ( 0.000 -4.333 -8.407) 9.458 3.986 ( 0.000 -11.253 5.565) 12.554 4.079 ( 0.000 1.044 1.061) 1.489 4.175 ( 0.000 3.512 2.029) 4.056 4.319 ( 0.000 1.650 2.777) 3.230 4.363 ( 0.000 0.243 -1.441) 1.461 4.416 ( 0.000 -6.202 -14.869) 16.111 5.221 ( 0.000 2.470 1.747) 3.025 5.264 ( 0.000 1.812 -2.600) 3.169 5.531 ( 0.000 9.388 10.924) 14.404 5.660 ( 0.000 -1.093 5.973) 6.072 5.687 ( 0.000 6.299 -0.266) 6.305 5.757 ( 0.000 -0.943 -3.565) 3.688 5.884 ( 0.000 6.214 1.236) 6.335 6.026 ( 0.000 1.024 -4.940) 5.045 6.391 ( 0.000 -1.692 -3.074) 3.509 6.414 ( 0.000 0.711 8.152) 8.183 6.497 ( 0.000 -1.843 -10.070) 10.237 6.563 ( 0.000 1.470 -6.351) 6.519 7.278 ( 0.000 -1.732 2.534) 3.069 7.345 ( 0.000 -0.737 -3.709) 3.782 7.598 ( 0.000 9.777 12.111) 15.565 7.682 ( 0.000 0.602 1.266) 1.402 7.713 ( 0.000 0.665 -1.761) 1.883 7.778 ( 0.000 6.117 -4.178) 7.407 8.207 ( 0.000 1.881 10.342) 10.512 8.390 ( 0.000 3.934 -7.174) 8.182 8.788 ( 0.000 -16.997 4.712) 17.639 8.918 ( 0.000 -17.432 -7.752) 19.078 18.942 ( 0.000 0.022 0.194) 0.196 18.946 ( 0.000 -0.013 -0.226) 0.227 19.653 ( 0.000 0.057 1.730) 1.731 19.688 ( 0.000 0.122 -1.773) 1.777 20.712 ( 0.000 -0.075 0.966) 0.969 20.732 ( 0.000 -0.072 -0.967) 0.970 21.483 ( 0.000 -0.013 1.023) 1.023 21.501 ( 0.000 -0.026 -0.775) 0.776 24.468 ( 0.000 -0.478 3.930) 3.959 24.543 ( 0.000 -0.336 -3.547) 3.563 24.968 ( 0.000 -0.513 2.741) 2.788 25.021 ( 0.000 -0.485 -2.512) 2.558 32.096 ( 0.000 0.741 0.760) 1.062 32.107 ( 0.000 0.661 -0.238) 0.703 32.392 ( 0.000 0.058 1.143) 1.145 32.416 ( 0.000 -0.296 -1.093) 1.132 42.351 ( 0.000 -1.565 3.450) 3.788 42.429 ( 0.000 -0.977 -4.319) 4.428 43.192 ( 0.000 2.779 9.288) 9.695 43.319 ( 0.000 1.927 -2.175) 2.906 43.767 ( 0.000 1.176 10.523) 10.589 43.971 ( 0.000 1.459 -9.676) 9.785 44.890 ( 0.000 8.162 -3.853) 9.025 44.967 ( 0.000 7.041 -10.921) 12.994 ======================= Grid point 331 (110/120) ======================= q-point: ( 0.10 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 8.132 7.288 11.694) 16.000 2.215 ( 4.433 6.287 3.499) 8.451 2.328 ( 10.245 4.604 4.231) 12.002 2.581 ( 8.338 4.593 -13.100) 16.193 3.176 ( -1.690 4.211 7.253) 8.556 3.250 ( -0.381 -1.426 -0.474) 1.550 3.493 ( 9.708 -1.833 -2.549) 10.203 3.510 ( 9.552 -2.433 -3.840) 10.578 3.978 ( -0.480 -9.914 8.207) 12.880 4.113 ( 2.288 5.151 5.779) 8.073 4.161 ( 1.885 1.212 -6.668) 7.035 4.276 ( -2.267 -0.068 -5.010) 5.499 4.425 ( 5.732 -0.642 0.606) 5.800 4.497 ( 4.775 -3.676 -7.481) 9.606 5.254 ( 1.659 2.792 1.520) 3.586 5.276 ( 1.108 2.003 -0.456) 2.334 5.538 ( 2.294 6.816 7.580) 10.448 5.668 ( -0.101 2.925 2.589) 3.908 5.709 ( 1.663 5.827 -1.634) 6.276 5.800 ( 4.294 -0.487 -4.634) 6.336 5.955 ( 6.886 2.859 6.138) 9.657 6.071 ( 3.760 -0.332 -1.390) 4.022 6.360 ( -1.731 -0.265 1.383) 2.231 6.408 ( 3.436 0.251 -7.077) 7.871 6.580 ( 5.818 -0.024 -1.260) 5.953 6.639 ( 6.735 1.161 -4.709) 8.300 7.187 ( -8.001 -0.743 2.918) 8.549 7.245 ( -7.828 -0.142 -2.381) 8.183 7.635 ( 1.515 6.444 6.511) 9.285 7.709 ( 0.476 2.627 -1.691) 3.160 7.734 ( 4.011 0.179 4.737) 6.209 7.846 ( 5.129 1.997 -3.331) 6.434 8.200 ( -0.442 2.426 8.979) 9.312 8.367 ( -2.212 3.226 -6.913) 7.943 8.743 ( -4.070 -14.398 4.847) 15.727 8.883 ( -3.253 -15.476 -8.321) 17.869 18.956 ( 1.355 0.032 0.389) 1.410 18.965 ( 1.794 0.002 -0.498) 1.862 19.640 ( -1.229 0.092 1.584) 2.007 19.672 ( -1.524 0.180 -1.598) 2.216 20.756 ( 4.229 -0.143 0.418) 4.252 20.766 ( 3.372 -0.247 -0.514) 3.420 21.463 ( -1.858 -0.029 1.072) 2.145 21.481 ( -1.838 -0.011 -0.745) 1.983 24.464 ( -0.333 -0.407 3.896) 3.931 24.539 ( -0.386 -0.293 -3.523) 3.557 24.962 ( -0.531 -0.407 2.700) 2.781 25.014 ( -0.600 -0.391 -2.478) 2.579 32.079 ( -1.678 0.698 0.632) 1.924 32.088 ( -1.871 0.633 -0.177) 1.983 32.381 ( -1.142 0.140 1.021) 1.538 32.402 ( -1.367 -0.144 -0.998) 1.699 42.354 ( -0.260 -2.143 2.414) 3.238 42.408 ( -2.283 -1.378 -3.024) 4.032 43.206 ( 0.985 0.878 8.012) 8.120 43.291 ( -2.883 -0.433 0.097) 2.917 43.858 ( 9.275 2.496 8.276) 12.678 43.997 ( 2.879 2.439 -6.213) 7.269 44.910 ( 1.966 8.255 -4.882) 9.791 44.985 ( 2.031 6.569 -11.842) 13.694 ======================= Grid point 332 (111/120) ======================= q-point: ( 0.20 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 9.424 7.991 9.750) 15.740 2.355 ( 9.243 5.320 -0.115) 10.665 2.553 ( 11.393 5.796 7.077) 14.610 2.768 ( 9.981 3.078 -10.308) 14.675 3.152 ( -0.381 3.212 7.029) 7.738 3.281 ( 3.350 -0.791 -4.068) 5.329 3.641 ( 3.584 -3.370 1.026) 5.025 3.710 ( 8.458 -3.333 -5.559) 10.657 4.023 ( 6.701 -5.476 7.342) 11.349 4.125 ( 0.789 0.795 2.126) 2.403 4.282 ( 8.176 2.627 -2.191) 8.863 4.321 ( 6.932 3.139 -3.088) 8.212 4.524 ( 4.637 -1.889 -0.875) 5.083 4.582 ( 4.642 -2.048 -6.548) 8.283 5.253 ( -0.456 2.498 4.275) 4.972 5.307 ( 1.234 2.133 -0.622) 2.541 5.576 ( 0.340 6.109 2.428) 6.582 5.640 ( -2.812 4.228 -2.804) 5.800 5.787 ( 6.252 3.314 1.961) 7.343 5.876 ( 2.487 1.400 -5.570) 6.259 6.098 ( 7.302 -0.216 5.889) 9.384 6.168 ( 5.644 -2.140 0.854) 6.096 6.406 ( 7.358 0.445 4.636) 8.708 6.555 ( 9.495 1.456 -8.994) 13.159 6.686 ( 4.767 3.901 3.493) 7.081 6.778 ( 5.443 3.378 -5.397) 8.377 7.041 ( -4.675 -3.689 3.537) 6.926 7.109 ( -4.163 -3.921 -2.943) 6.432 7.639 ( -1.012 4.693 5.282) 7.138 7.710 ( -0.702 3.605 -1.572) 3.995 7.788 ( 0.985 -2.480 7.465) 7.927 7.917 ( 1.078 -1.445 -3.905) 4.301 8.204 ( 0.982 2.823 5.592) 6.341 8.317 ( -2.401 1.591 -5.286) 6.020 8.663 ( -3.336 -7.755 4.818) 9.721 8.818 ( -2.804 -10.730 -9.531) 14.623 18.989 ( 1.899 0.091 0.798) 2.062 19.007 ( 2.330 0.087 -1.018) 2.544 19.612 ( -1.400 0.071 1.310) 1.919 19.639 ( -1.603 0.146 -1.323) 2.083 20.845 ( 4.586 -0.362 0.690) 4.652 20.861 ( 5.713 -0.422 -0.958) 5.808 21.424 ( -1.805 -0.016 1.092) 2.109 21.441 ( -1.988 -0.022 -0.632) 2.086 24.456 ( -0.471 -0.250 3.802) 3.839 24.530 ( -0.558 -0.194 -3.468) 3.518 24.949 ( -0.739 -0.200 2.596) 2.706 25.000 ( -0.837 -0.207 -2.406) 2.555 32.037 ( -2.474 0.583 0.306) 2.560 32.041 ( -2.749 0.527 -0.047) 2.799 32.353 ( -1.619 0.265 0.743) 1.801 32.369 ( -1.931 0.114 -0.775) 2.084 42.321 ( -3.375 -2.792 0.985) 4.490 42.344 ( -3.892 -2.821 -1.346) 4.992 43.183 ( -4.896 -2.169 4.889) 7.251 43.225 ( -2.988 -4.026 1.186) 5.152 44.084 ( 9.197 5.131 6.333) 12.289 44.116 ( 13.421 2.984 4.494) 14.465 44.960 ( 3.054 8.255 -7.350) 11.467 45.047 ( 4.106 5.186 -14.884) 16.288 ======================= Grid point 333 (112/120) ======================= q-point: ( 0.30 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 7.626 8.442 8.839) 14.406 2.536 ( 8.295 3.454 -4.031) 9.848 2.741 ( 8.509 5.296 10.405) 14.447 2.932 ( 6.243 -1.514 -3.352) 7.245 3.197 ( 5.673 7.345 3.129) 9.794 3.363 ( 4.363 1.031 -8.024) 9.192 3.640 ( -1.558 -0.912 4.735) 5.067 3.780 ( -0.541 -1.450 -8.799) 8.934 4.158 ( 3.688 -3.975 5.289) 7.575 4.210 ( 6.886 -4.436 1.556) 8.338 4.390 ( 2.028 3.756 3.365) 5.435 4.469 ( 6.822 3.542 -2.363) 8.042 4.668 ( 11.058 -1.684 -1.897) 11.345 4.709 ( 8.834 -2.832 -5.808) 10.946 5.263 ( 2.145 2.207 4.807) 5.708 5.335 ( 2.098 1.754 -1.296) 3.026 5.554 ( -2.078 5.512 -0.127) 5.893 5.584 ( -2.693 4.248 -2.583) 5.654 5.893 ( 3.377 4.240 0.340) 5.431 5.915 ( 3.239 3.152 -1.457) 4.749 6.220 ( 3.679 -2.846 1.546) 4.902 6.245 ( 2.575 -3.131 -0.220) 4.060 6.573 ( 5.709 3.817 4.386) 8.149 6.641 ( -2.760 5.233 -2.105) 6.280 6.757 ( 1.894 -0.060 0.408) 1.939 6.816 ( 5.058 -0.607 -4.258) 6.639 7.076 ( 6.448 -4.245 5.021) 9.210 7.152 ( 6.029 -5.935 -2.074) 8.711 7.608 ( -2.005 4.531 4.535) 6.717 7.668 ( -3.203 3.373 -2.682) 5.369 7.803 ( 1.774 -2.603 6.080) 6.848 7.896 ( -1.231 -2.993 -1.554) 3.590 8.228 ( 0.881 1.523 2.410) 2.984 8.281 ( -1.940 0.526 -2.713) 3.377 8.629 ( -0.352 -1.638 4.036) 4.370 8.785 ( -0.622 -5.982 -10.171) 11.816 19.023 ( 1.499 0.179 1.050) 1.839 19.046 ( 1.535 0.190 -1.223) 1.972 19.591 ( -0.706 -0.065 1.231) 1.421 19.618 ( -0.511 -0.044 -1.394) 1.485 20.927 ( 3.648 -0.550 1.487) 3.977 20.960 ( 4.093 -0.462 -1.765) 4.481 21.403 ( -0.257 0.107 0.682) 0.737 21.413 ( -0.777 -0.072 -0.260) 0.822 24.447 ( -0.415 -0.102 3.679) 3.704 24.519 ( -0.503 -0.093 -3.408) 3.446 24.935 ( -0.634 -0.041 2.479) 2.559 24.984 ( -0.718 -0.062 -2.337) 2.445 31.989 ( -2.431 0.385 0.129) 2.465 31.991 ( -2.187 0.379 -0.116) 2.223 32.322 ( -1.424 0.325 0.445) 1.527 32.332 ( -1.710 0.280 -0.516) 1.808 42.236 ( -4.646 -3.300 1.422) 5.873 42.268 ( -3.893 -4.881 -1.686) 6.467 43.059 ( -6.784 -3.526 5.046) 9.161 43.144 ( -5.346 -5.318 -2.936) 8.092 44.256 ( 9.007 5.914 17.175) 20.276 44.418 ( 15.404 3.268 7.401) 17.399 45.017 ( 2.467 7.538 -11.876) 14.282 45.131 ( 4.193 3.989 -18.411) 19.299 ======================= Grid point 334 (113/120) ======================= q-point: ( 0.40 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 2.275 8.024 9.015) 12.281 2.651 ( 3.625 1.887 -6.497) 7.675 2.901 ( 7.257 3.393 11.523) 14.034 3.040 ( 6.166 -2.071 5.310) 8.397 3.297 ( 0.436 4.758 -5.040) 6.944 3.427 ( 3.574 2.964 -8.378) 9.579 3.646 ( 1.633 6.236 3.322) 7.252 3.763 ( 1.265 2.049 -6.848) 7.259 4.140 ( -5.211 -0.945 4.504) 6.952 4.220 ( -4.721 -3.616 -2.708) 6.534 4.487 ( 7.540 -2.130 7.688) 10.977 4.607 ( 8.142 -0.488 -1.198) 8.244 4.821 ( 2.983 -2.401 0.865) 3.926 4.902 ( 8.170 -2.360 -4.431) 9.589 5.345 ( 5.551 2.900 2.924) 6.912 5.390 ( 3.253 1.799 -0.983) 3.845 5.515 ( -1.682 5.282 0.201) 5.547 5.534 ( -2.212 5.355 -0.751) 5.843 5.940 ( 1.913 5.837 -0.155) 6.144 5.982 ( 2.596 3.383 -3.428) 5.472 6.235 ( -0.447 -2.465 1.809) 3.090 6.283 ( 1.230 -4.774 -2.962) 5.751 6.529 ( -6.406 0.878 -0.712) 6.505 6.554 ( -4.256 1.441 -2.675) 5.230 6.871 ( 7.034 0.432 4.155) 8.181 6.941 ( 5.908 -1.298 -2.377) 6.499 7.159 ( 0.433 -2.049 3.242) 3.860 7.224 ( 0.463 -5.436 -2.183) 5.876 7.551 ( -1.924 3.524 7.690) 8.675 7.645 ( 0.099 2.682 -0.580) 2.746 7.890 ( 7.114 -1.065 2.968) 7.781 7.939 ( 5.651 -2.096 0.805) 6.080 8.214 ( -4.788 -0.053 -0.518) 4.817 8.218 ( -2.631 -0.068 -0.898) 2.781 8.635 ( 0.556 1.388 3.188) 3.521 8.785 ( 0.299 -3.037 -10.143) 10.593 19.044 ( 0.697 0.233 1.035) 1.269 19.066 ( 0.539 0.159 -1.036) 1.179 19.584 ( -0.084 -0.178 1.409) 1.422 19.617 ( 0.236 -0.147 -1.797) 1.819 20.980 ( 1.783 -0.624 1.674) 2.524 21.015 ( 1.660 -0.479 -1.745) 2.456 21.402 ( 0.036 0.165 0.727) 0.746 21.416 ( 0.731 -0.003 -0.549) 0.914 24.441 ( -0.238 -0.010 3.577) 3.585 24.511 ( -0.293 -0.024 -3.364) 3.377 24.926 ( -0.353 0.037 2.395) 2.421 24.973 ( -0.399 0.012 -2.291) 2.326 31.951 ( -1.372 0.221 0.250) 1.412 31.958 ( -1.203 0.221 -0.421) 1.293 32.300 ( -0.812 0.342 0.223) 0.909 32.306 ( -0.984 0.359 -0.305) 1.091 42.160 ( -2.911 -4.212 2.006) 5.499 42.204 ( -2.492 -6.276 -2.241) 7.115 42.946 ( -4.414 -3.546 4.858) 7.460 43.044 ( -4.261 -5.118 -4.691) 8.146 44.404 ( 5.616 5.948 24.911) 26.220 44.677 ( 10.560 3.151 13.336) 17.300 45.042 ( 0.001 6.242 -20.007) 20.958 45.199 ( 2.625 3.959 -20.657) 21.196 ======================= Grid point 335 (114/120) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 0.000 7.551 9.727) 12.314 2.684 ( 0.000 1.399 -7.799) 7.923 2.976 ( 0.000 3.088 12.267) 12.650 3.153 ( 0.000 -5.738 15.763) 16.775 3.233 ( 0.000 5.707 -12.514) 13.754 3.482 ( 0.000 1.074 -15.993) 16.029 3.656 ( 0.000 11.632 7.372) 13.771 3.823 ( 0.000 9.550 -8.704) 12.921 4.046 ( 0.000 -4.996 6.659) 8.325 4.156 ( 0.000 -3.951 -3.586) 5.335 4.573 ( 0.000 -3.136 8.767) 9.311 4.754 ( -0.000 -1.329 -8.133) 8.241 4.786 ( 0.000 -3.067 11.381) 11.787 4.979 ( 0.000 -3.828 -7.580) 8.492 5.420 ( -0.000 3.376 1.714) 3.786 5.423 ( 0.000 7.780 7.808) 11.022 5.502 ( 0.000 5.376 1.031) 5.474 5.509 ( -0.000 0.500 -6.393) 6.413 5.958 ( 0.000 6.141 -0.926) 6.211 6.008 ( 0.000 3.745 -4.661) 5.979 6.232 ( 0.000 -2.496 2.191) 3.321 6.300 ( 0.000 -5.061 -4.399) 6.706 6.451 ( 0.000 -0.297 0.215) 0.366 6.501 ( 0.000 -0.470 -4.374) 4.399 6.944 ( 0.000 1.727 4.178) 4.521 7.019 ( 0.000 -1.374 -2.713) 3.041 7.143 ( 0.000 -1.715 1.604) 2.348 7.200 ( 0.000 -3.875 -3.678) 5.343 7.547 ( 0.000 2.200 11.008) 11.226 7.645 ( 0.000 1.659 1.920) 2.537 7.997 ( 0.000 -0.293 2.878) 2.893 8.065 ( 0.000 -0.856 6.178) 6.237 8.095 ( 0.000 -0.899 -3.741) 3.848 8.172 ( 0.000 -0.721 -4.342) 4.401 8.641 ( 0.000 2.213 2.876) 3.629 8.789 ( 0.000 -2.061 -10.067) 10.276 19.051 ( 0.000 0.247 0.984) 1.014 19.070 ( 0.000 0.101 -0.900) 0.906 19.584 ( 0.000 -0.209 1.535) 1.549 19.620 ( 0.000 -0.150 -2.023) 2.029 20.997 ( 0.000 -0.639 1.631) 1.752 21.030 ( 0.000 -0.484 -1.596) 1.667 21.404 ( 0.000 0.147 1.066) 1.076 21.425 ( 0.000 0.072 -1.009) 1.012 24.438 ( 0.000 0.021 3.537) 3.537 24.508 ( 0.000 -0.000 -3.347) 3.347 24.922 ( 0.000 0.059 2.365) 2.366 24.969 ( 0.000 0.033 -2.276) 2.276 31.937 ( 0.000 0.158 0.300) 0.339 31.946 ( 0.000 0.152 -0.537) 0.558 32.292 ( 0.000 0.347 0.140) 0.374 32.296 ( 0.000 0.383 -0.223) 0.443 42.131 ( 0.000 -4.598 2.207) 5.100 42.179 ( 0.000 -6.843 -2.441) 7.266 42.901 ( 0.000 -3.425 4.681) 5.800 43.000 ( 0.000 -4.857 -4.994) 6.966 44.460 ( 0.000 5.875 27.490) 28.111 44.790 ( 0.000 3.062 21.504) 21.721 45.034 ( 0.000 5.595 -29.044) 29.578 45.225 ( 0.000 4.222 -21.394) 21.807 ======================= Grid point 341 (115/120) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.000 0.000 8.610) 8.610 2.170 ( 0.000 0.000 -2.637) 2.637 2.333 ( 0.000 -0.000 11.944) 11.944 2.517 ( 0.000 0.000 -5.355) 5.355 3.248 ( 0.000 0.000 0.969) 0.969 3.328 ( 0.000 -0.000 2.515) 2.515 3.344 ( 0.000 0.000 -8.328) 8.328 3.396 ( 0.000 0.000 -3.423) 3.423 3.829 ( 0.000 0.000 11.372) 11.372 4.069 ( 0.000 0.000 -7.946) 7.946 4.245 ( 0.000 -0.000 0.353) 0.353 4.333 ( 0.000 0.000 -10.355) 10.355 4.339 ( 0.000 0.000 1.872) 1.872 4.361 ( 0.000 0.000 -0.299) 0.299 5.245 ( 0.000 0.000 1.462) 1.462 5.282 ( 0.000 0.000 -2.203) 2.203 5.648 ( 0.000 0.000 5.701) 5.701 5.666 ( 0.000 -0.000 15.489) 15.489 5.715 ( 0.000 0.000 5.658) 5.658 5.745 ( 0.000 0.000 -3.804) 3.804 5.975 ( 0.000 0.000 -5.863) 5.863 6.033 ( 0.000 0.000 -1.884) 1.884 6.364 ( 0.000 0.000 -6.590) 6.590 6.425 ( 0.000 0.000 8.635) 8.635 6.476 ( 0.000 0.000 -11.561) 11.561 6.580 ( 0.000 0.000 -6.519) 6.519 7.259 ( 0.000 0.000 2.870) 2.870 7.336 ( 0.000 0.000 -4.409) 4.409 7.689 ( 0.000 0.000 1.421) 1.421 7.720 ( 0.000 0.000 -1.617) 1.617 7.754 ( 0.000 -0.000 7.724) 7.724 7.769 ( 0.000 0.000 7.687) 7.687 8.279 ( 0.000 -0.000 8.124) 8.124 8.454 ( 0.000 0.000 -8.274) 8.274 8.593 ( 0.000 -0.000 1.327) 1.327 8.690 ( 0.000 0.000 -8.045) 8.045 18.942 ( 0.000 0.000 0.176) 0.176 18.946 ( 0.000 0.000 -0.209) 0.209 19.653 ( 0.000 0.000 1.768) 1.768 19.689 ( 0.000 0.000 -1.817) 1.817 20.711 ( 0.000 0.000 0.968) 0.968 20.731 ( 0.000 0.000 -0.969) 0.969 21.483 ( 0.000 0.000 1.051) 1.051 21.500 ( 0.000 0.000 -0.700) 0.700 24.463 ( 0.000 0.000 3.979) 3.979 24.540 ( 0.000 0.000 -3.611) 3.611 24.963 ( 0.000 0.000 2.704) 2.704 25.016 ( 0.000 0.000 -2.535) 2.535 32.105 ( 0.000 0.000 0.763) 0.763 32.114 ( 0.000 0.000 -0.074) 0.074 32.393 ( 0.000 0.000 0.845) 0.845 32.411 ( 0.000 0.000 -0.884) 0.884 42.336 ( 0.000 0.000 3.705) 3.705 42.419 ( 0.000 0.000 -4.637) 4.637 43.220 ( 0.000 0.000 9.351) 9.351 43.337 ( 0.000 0.000 -1.276) 1.276 43.779 ( 0.000 0.000 10.702) 10.702 43.986 ( 0.000 0.000 -9.790) 9.790 44.974 ( 0.000 0.000 -5.120) 5.120 45.034 ( 0.000 0.000 -9.941) 9.941 ======================= Grid point 343 (116/120) ======================= q-point: ( 0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 8.677 -0.000 6.504) 10.844 2.230 ( 5.852 0.000 -0.720) 5.896 2.422 ( 9.210 0.000 11.768) 14.944 2.604 ( 7.858 0.000 -5.377) 9.521 3.236 ( -0.193 0.000 -0.481) 0.519 3.244 ( -3.144 0.000 -1.100) 3.331 3.485 ( 8.927 -0.000 -3.600) 9.626 3.490 ( 7.832 0.000 -3.577) 8.610 3.846 ( 2.311 0.000 12.146) 12.364 4.117 ( 3.867 0.000 -8.772) 9.586 4.235 ( -3.028 -0.000 -2.897) 4.191 4.246 ( 1.688 0.000 -1.213) 2.078 4.428 ( 4.995 0.000 0.364) 5.008 4.458 ( 6.099 0.000 -3.785) 7.178 5.283 ( 2.866 0.000 0.844) 2.988 5.290 ( -0.098 -0.000 0.506) 0.515 5.614 ( 2.295 -0.000 9.035) 9.322 5.698 ( -1.366 0.000 4.807) 4.997 5.780 ( 4.221 -0.000 2.642) 4.980 5.788 ( 4.395 0.000 -5.860) 7.325 6.006 ( 4.631 0.000 0.847) 4.708 6.054 ( 1.366 -0.000 2.389) 2.752 6.358 ( -2.244 0.000 0.030) 2.244 6.408 ( 5.555 0.000 -10.316) 11.717 6.579 ( 7.203 0.000 -0.142) 7.205 6.656 ( 7.170 0.000 -5.158) 8.833 7.175 ( -7.989 0.000 2.759) 8.452 7.242 ( -8.650 0.000 -3.284) 9.252 7.703 ( 0.929 0.000 1.760) 1.990 7.713 ( 0.017 -0.000 2.361) 2.362 7.785 ( 1.221 -0.000 7.766) 7.862 7.823 ( 4.804 0.000 1.082) 4.925 8.267 ( -1.074 -0.000 7.364) 7.442 8.415 ( -3.706 0.000 -6.476) 7.462 8.589 ( -0.165 -0.000 0.426) 0.457 8.681 ( -0.607 0.000 -8.225) 8.247 18.956 ( 1.370 0.000 0.373) 1.420 18.965 ( 1.810 0.000 -0.478) 1.872 19.640 ( -1.206 0.000 1.637) 2.033 19.674 ( -1.483 0.000 -1.655) 2.222 20.755 ( 4.220 0.000 0.367) 4.236 20.763 ( 3.159 0.000 -0.465) 3.193 21.462 ( -1.862 0.000 1.114) 2.170 21.481 ( -1.820 0.000 -0.701) 1.950 24.460 ( -0.267 0.000 3.932) 3.941 24.536 ( -0.344 0.000 -3.578) 3.594 24.958 ( -0.441 0.000 2.662) 2.698 25.010 ( -0.515 0.000 -2.499) 2.552 32.087 ( -1.744 -0.000 0.637) 1.856 32.095 ( -1.906 0.000 -0.050) 1.906 32.382 ( -1.072 0.000 0.790) 1.332 32.399 ( -1.199 0.000 -0.830) 1.459 42.332 ( -0.721 0.000 2.763) 2.856 42.395 ( -2.634 0.000 -3.452) 4.342 43.214 ( -0.739 0.000 7.589) 7.625 43.286 ( -4.833 0.000 0.742) 4.889 43.884 ( 10.207 0.000 8.691) 13.405 44.022 ( 3.868 0.000 -5.901) 7.055 44.996 ( 2.196 0.000 -6.633) 6.987 45.045 ( 1.350 0.000 -10.259) 10.347 ======================= Grid point 345 (117/120) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 10.019 -0.000 4.699) 11.066 2.379 ( 8.834 0.000 0.991) 8.889 2.650 ( 12.272 0.000 8.726) 15.058 2.757 ( 6.523 0.000 -0.390) 6.534 3.223 ( 1.446 0.000 -0.104) 1.450 3.267 ( 3.676 0.000 -3.680) 5.202 3.609 ( 2.669 -0.000 -1.578) 3.101 3.661 ( 8.179 0.000 -5.279) 9.734 3.957 ( 9.547 0.000 7.812) 12.335 4.109 ( -2.374 0.000 -3.114) 3.915 4.330 ( 10.309 0.000 -2.634) 10.640 4.344 ( 8.177 -0.000 -1.036) 8.242 4.513 ( 3.648 0.000 0.210) 3.654 4.565 ( 5.003 0.000 -5.164) 7.190 5.274 ( -0.831 0.000 4.559) 4.634 5.322 ( 1.151 0.000 -0.039) 1.151 5.663 ( -0.623 -0.000 1.002) 1.180 5.666 ( -1.971 0.000 0.715) 2.097 5.837 ( 4.839 0.000 -0.052) 4.839 5.889 ( 4.465 0.000 -5.303) 6.932 6.099 ( 4.267 0.000 4.976) 6.555 6.136 ( 6.044 0.000 3.325) 6.898 6.411 ( 8.364 0.000 4.472) 9.484 6.571 ( 9.982 0.000 -10.003) 14.131 6.739 ( 8.718 0.000 3.604) 9.434 6.835 ( 9.924 0.000 -5.574) 11.382 6.990 ( -9.315 0.000 2.509) 9.647 7.045 ( -10.211 0.000 -2.614) 10.540 7.695 ( -1.806 0.000 3.551) 3.983 7.710 ( -0.542 -0.000 3.319) 3.363 7.807 ( 0.680 0.000 6.117) 6.155 7.880 ( 0.017 -0.000 -2.662) 2.662 8.248 ( -0.517 -0.000 5.124) 5.150 8.336 ( -3.644 0.000 -3.318) 4.929 8.597 ( 1.061 -0.000 -0.457) 1.155 8.680 ( 0.719 0.000 -8.316) 8.347 18.990 ( 1.943 0.000 0.789) 2.097 19.008 ( 2.392 0.000 -1.010) 2.597 19.613 ( -1.445 0.000 1.370) 1.991 19.640 ( -1.674 0.000 -1.365) 2.160 20.841 ( 4.438 0.000 0.631) 4.482 20.856 ( 5.685 0.000 -0.931) 5.761 21.424 ( -1.768 0.000 1.125) 2.095 21.441 ( -1.994 0.000 -0.586) 2.078 24.454 ( -0.388 0.000 3.813) 3.833 24.528 ( -0.502 0.000 -3.500) 3.536 24.947 ( -0.641 0.000 2.561) 2.640 24.998 ( -0.744 0.000 -2.417) 2.529 32.043 ( -2.565 -0.000 0.308) 2.583 32.047 ( -2.836 0.000 0.031) 2.836 32.355 ( -1.565 0.000 0.631) 1.687 32.369 ( -1.781 0.000 -0.684) 1.907 42.293 ( -3.427 0.000 1.067) 3.589 42.318 ( -5.095 0.000 -1.437) 5.293 43.166 ( -7.147 -0.000 3.072) 7.779 43.179 ( -3.240 0.000 2.451) 4.063 44.140 ( 8.132 -0.000 4.886) 9.487 44.142 ( 15.576 0.000 7.225) 17.170 45.050 ( 2.971 0.000 -10.177) 10.602 45.090 ( 3.260 -0.000 -12.149) 12.579 ======================= Grid point 347 (118/120) ======================= q-point: ( 0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 8.707 -0.000 2.402) 9.032 2.537 ( 6.315 0.000 1.380) 6.464 2.840 ( 7.168 0.000 7.003) 10.022 2.858 ( 5.139 -0.000 7.541) 9.125 3.314 ( 7.592 -0.000 -2.207) 7.907 3.359 ( 4.199 0.000 -7.715) 8.784 3.624 ( 1.139 -0.000 2.794) 3.018 3.752 ( 0.726 0.000 -9.343) 9.371 4.114 ( 2.955 0.000 3.813) 4.824 4.151 ( 8.066 0.000 0.336) 8.073 4.444 ( -0.179 0.000 3.342) 3.346 4.509 ( 6.002 0.000 -0.394) 6.014 4.658 ( 12.805 0.000 -1.764) 12.926 4.675 ( 7.316 -0.000 -5.486) 9.144 5.282 ( 2.195 0.000 5.163) 5.610 5.347 ( 1.899 0.000 -0.643) 2.005 5.618 ( -2.509 0.000 -1.393) 2.870 5.627 ( -1.999 -0.000 -2.180) 2.958 5.947 ( 5.172 0.000 0.192) 5.175 5.953 ( 2.933 -0.000 -0.210) 2.940 6.188 ( 3.349 0.000 0.659) 3.413 6.204 ( 1.238 0.000 0.525) 1.345 6.619 ( 8.907 0.000 6.189) 10.846 6.733 ( -1.798 -0.000 -4.797) 5.123 6.765 ( -5.379 0.000 -0.482) 5.400 6.790 ( 1.184 -0.000 -2.432) 2.705 7.020 ( 8.552 0.000 3.780) 9.350 7.068 ( 8.151 0.000 -1.425) 8.275 7.667 ( -0.051 0.000 0.672) 0.674 7.676 ( -3.930 -0.000 0.866) 4.024 7.808 ( 0.395 0.000 5.736) 5.750 7.850 ( -0.371 -0.000 0.623) 0.726 8.246 ( -0.195 -0.000 2.368) 2.376 8.282 ( -2.566 0.000 -1.127) 2.803 8.627 ( 1.807 -0.000 -0.692) 1.935 8.708 ( 1.929 0.000 -8.311) 8.532 19.025 ( 1.543 0.000 1.050) 1.867 19.048 ( 1.565 0.000 -1.225) 1.987 19.590 ( -0.784 0.000 1.266) 1.489 19.617 ( -0.613 0.000 -1.395) 1.524 20.921 ( 3.587 0.000 1.481) 3.881 20.955 ( 4.088 0.000 -1.838) 4.482 21.405 ( -0.077 0.000 0.620) 0.625 21.412 ( -0.898 0.000 -0.097) 0.903 24.446 ( -0.351 0.000 3.674) 3.691 24.518 ( -0.457 0.000 -3.418) 3.448 24.935 ( -0.575 0.000 2.453) 2.519 24.984 ( -0.661 0.000 -2.336) 2.428 31.993 ( -2.546 0.000 0.155) 2.551 31.995 ( -2.275 -0.000 -0.092) 2.277 32.326 ( -1.405 0.000 0.416) 1.465 32.335 ( -1.631 0.000 -0.487) 1.703 42.211 ( -4.571 0.000 -0.047) 4.571 42.212 ( -5.391 0.000 -0.175) 5.394 43.024 ( -7.048 0.000 3.966) 8.088 43.090 ( -5.444 0.000 -2.156) 5.855 44.316 ( 9.159 0.000 16.773) 19.111 44.451 ( 15.376 0.000 8.928) 17.780 45.097 ( 1.639 0.000 -14.603) 14.695 45.165 ( 4.160 -0.000 -16.133) 16.661 ======================= Grid point 349 (119/120) ======================= q-point: ( 0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.858 -0.000 3.660) 3.759 2.653 ( 3.936 0.000 -2.022) 4.425 2.953 ( 4.826 0.000 10.247) 11.327 2.989 ( 7.890 0.000 12.070) 14.420 3.359 ( -3.862 -0.000 -8.634) 9.459 3.461 ( 5.587 0.000 -11.352) 12.652 3.731 ( 9.630 -0.000 0.887) 9.671 3.743 ( 0.477 0.000 -2.462) 2.508 4.146 ( -1.332 -0.000 0.422) 1.397 4.163 ( -7.392 0.000 -1.052) 7.466 4.477 ( 4.932 0.000 8.408) 9.748 4.608 ( 6.495 0.000 -0.693) 6.532 4.796 ( 2.761 0.000 0.743) 2.859 4.877 ( 7.476 -0.000 -3.925) 8.444 5.374 ( 7.069 0.000 2.220) 7.409 5.402 ( 3.665 0.000 -0.907) 3.775 5.574 ( -2.360 0.000 0.612) 2.438 5.587 ( -2.175 -0.000 0.726) 2.293 6.011 ( 2.641 -0.000 -1.752) 3.169 6.021 ( 2.322 0.000 -1.761) 2.914 6.206 ( -0.144 -0.000 -0.196) 0.243 6.221 ( 0.886 0.000 -1.946) 2.138 6.539 ( -8.014 0.000 0.004) 8.014 6.583 ( -7.232 -0.000 -3.758) 8.150 6.881 ( 9.222 0.000 2.745) 9.622 6.919 ( 5.552 0.000 -0.566) 5.581 7.144 ( 0.576 0.000 0.066) 0.580 7.148 ( 2.234 0.000 1.065) 2.475 7.587 ( -3.152 0.000 5.906) 6.695 7.672 ( -0.420 0.000 0.355) 0.551 7.885 ( 7.502 -0.000 3.194) 8.154 7.917 ( 6.566 0.000 2.362) 6.978 8.208 ( -5.477 0.000 0.706) 5.522 8.219 ( -2.829 0.000 -0.803) 2.941 8.658 ( 1.267 0.000 -0.816) 1.507 8.744 ( 1.536 0.000 -8.490) 8.627 19.047 ( 0.720 0.000 1.007) 1.238 19.067 ( 0.496 0.000 -0.982) 1.100 19.582 ( -0.123 0.000 1.429) 1.435 19.615 ( 0.213 0.000 -1.811) 1.823 20.974 ( 1.768 0.000 1.697) 2.450 21.010 ( 1.668 0.000 -1.865) 2.502 21.404 ( -0.025 0.000 0.680) 0.680 21.415 ( 0.837 0.000 -0.391) 0.924 24.441 ( -0.206 0.000 3.565) 3.571 24.511 ( -0.268 0.000 -3.360) 3.370 24.926 ( -0.330 0.000 2.376) 2.399 24.973 ( -0.376 0.000 -2.284) 2.314 31.953 ( -1.437 0.000 0.268) 1.462 31.960 ( -1.272 0.000 -0.404) 1.335 32.304 ( -0.807 0.000 0.231) 0.840 32.309 ( -0.952 0.000 -0.315) 1.002 42.124 ( -3.343 0.000 0.359) 3.362 42.133 ( -3.036 0.000 -0.563) 3.088 42.910 ( -4.338 0.000 3.988) 5.892 42.992 ( -4.038 0.000 -3.986) 5.674 44.464 ( 5.571 0.000 24.717) 25.337 44.709 ( 10.485 0.000 14.656) 18.020 45.106 ( -0.705 0.000 -21.207) 21.219 45.237 ( 2.935 -0.000 -20.212) 20.424 ======================= Grid point 351 (120/120) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 0.000 0.000 5.122) 5.122 2.688 ( 0.000 0.000 -4.199) 4.199 3.007 ( 0.000 0.000 12.955) 12.955 3.096 ( -0.000 0.000 19.149) 19.149 3.290 ( 0.000 0.000 -14.689) 14.689 3.504 ( 0.000 0.000 -20.058) 20.058 3.772 ( 0.000 -0.000 7.211) 7.211 3.921 ( 0.000 0.000 -7.525) 7.525 3.986 ( -0.000 -0.000 7.267) 7.267 4.108 ( 0.000 0.000 -5.032) 5.032 4.543 ( 0.000 0.000 10.928) 10.928 4.743 ( -0.000 0.000 -8.549) 8.549 4.759 ( 0.000 0.000 11.686) 11.686 4.941 ( 0.000 0.000 -6.554) 6.554 5.458 ( 0.000 -0.000 -0.208) 0.208 5.501 ( 0.000 0.000 7.240) 7.240 5.511 ( 0.000 0.000 -4.890) 4.890 5.552 ( 0.000 0.000 2.933) 2.933 6.037 ( 0.000 -0.000 -3.442) 3.442 6.039 ( 0.000 0.000 -2.500) 2.500 6.212 ( 0.000 0.000 -0.509) 0.509 6.236 ( 0.000 -0.000 -2.655) 2.655 6.447 ( -0.000 0.000 0.141) 0.141 6.502 ( 0.000 -0.000 -4.612) 4.612 6.974 ( 0.000 -0.000 1.743) 1.743 6.994 ( -0.000 0.000 -0.188) 0.188 7.135 ( 0.000 -0.000 -0.532) 0.532 7.143 ( 0.000 0.000 -1.582) 1.582 7.566 ( 0.000 0.000 10.104) 10.104 7.664 ( 0.000 -0.000 2.771) 2.771 7.997 ( 0.000 0.000 3.533) 3.533 8.057 ( -0.000 0.000 6.184) 6.184 8.083 ( 0.000 0.000 -1.869) 1.869 8.165 ( 0.000 0.000 -4.460) 4.460 8.671 ( 0.000 0.000 -0.838) 0.838 8.760 ( 0.000 0.000 -8.597) 8.597 19.054 ( 0.000 0.000 0.924) 0.924 19.071 ( 0.000 0.000 -0.796) 0.796 19.582 ( 0.000 0.000 1.558) 1.558 19.618 ( 0.000 0.000 -2.058) 2.058 20.991 ( 0.000 0.000 1.665) 1.665 21.025 ( 0.000 0.000 -1.725) 1.725 21.405 ( 0.000 0.000 1.075) 1.075 21.425 ( 0.000 0.000 -0.909) 0.909 24.439 ( 0.000 0.000 3.524) 3.524 24.508 ( 0.000 0.000 -3.339) 3.339 24.923 ( 0.000 0.000 2.349) 2.349 24.970 ( 0.000 0.000 -2.266) 2.266 31.939 ( 0.000 0.000 0.313) 0.313 31.947 ( 0.000 0.000 -0.519) 0.519 32.296 ( 0.000 0.000 0.160) 0.160 32.300 ( 0.000 0.000 -0.247) 0.247 42.091 ( 0.000 0.000 0.498) 0.498 42.103 ( 0.000 0.000 -0.710) 0.710 42.867 ( 0.000 0.000 3.894) 3.894 42.951 ( 0.000 0.000 -4.347) 4.347 44.519 ( 0.000 0.000 27.404) 27.404 44.821 ( 0.000 0.000 22.150) 22.150 45.090 ( 0.000 0.000 -28.846) 28.846 45.267 ( 0.000 0.000 -21.861) 21.861 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33600 10.0 1167.315 729.834 1328.468 0.000 0.000 0.000 3/33600 20.0 141.825 101.656 172.555 0.000 0.000 0.000 3/33600 30.0 45.069 31.822 57.112 0.000 0.000 0.000 3/33600 40.0 21.691 15.311 27.797 0.000 0.000 0.000 3/33600 50.0 13.074 9.241 16.713 0.000 0.000 0.000 3/33600 60.0 9.045 6.384 11.474 0.000 0.000 0.000 3/33600 70.0 6.840 4.811 8.600 0.000 0.000 0.000 3/33600 80.0 5.492 3.846 6.845 0.000 0.000 0.000 3/33600 90.0 4.596 3.204 5.684 0.000 0.000 0.000 3/33600 100.0 3.961 2.750 4.867 0.000 0.000 0.000 3/33600 110.0 3.490 2.413 4.263 0.000 0.000 0.000 3/33600 120.0 3.126 2.153 3.799 0.000 0.000 0.000 3/33600 130.0 2.836 1.947 3.431 0.000 0.000 0.000 3/33600 140.0 2.600 1.778 3.132 0.000 0.000 0.000 3/33600 150.0 2.404 1.639 2.884 0.000 0.000 0.000 3/33600 160.0 2.238 1.520 2.675 0.000 0.000 0.000 3/33600 170.0 2.096 1.419 2.496 0.000 0.000 0.000 3/33600 180.0 1.973 1.331 2.341 0.000 0.000 0.000 3/33600 190.0 1.865 1.254 2.205 0.000 0.000 0.000 3/33600 200.0 1.771 1.186 2.086 0.000 0.000 0.000 3/33600 210.0 1.686 1.125 1.980 0.000 0.000 0.000 3/33600 220.0 1.611 1.071 1.885 0.000 0.000 0.000 3/33600 230.0 1.543 1.022 1.800 0.000 0.000 0.000 3/33600 240.0 1.482 0.978 1.723 0.000 0.000 0.000 3/33600 250.0 1.427 0.938 1.653 0.000 0.000 0.000 3/33600 260.0 1.376 0.901 1.590 0.000 0.000 0.000 3/33600 270.0 1.330 0.867 1.532 0.000 0.000 0.000 3/33600 280.0 1.287 0.836 1.480 0.000 0.000 0.000 3/33600 290.0 1.248 0.808 1.431 0.000 0.000 0.000 3/33600 300.0 1.211 0.782 1.387 0.000 0.000 0.000 3/33600 310.0 1.178 0.757 1.346 0.000 0.000 0.000 3/33600 320.0 1.146 0.735 1.309 0.000 0.000 0.000 3/33600 330.0 1.117 0.714 1.274 0.000 0.000 0.000 3/33600 340.0 1.090 0.694 1.241 0.000 0.000 0.000 3/33600 350.0 1.064 0.676 1.211 0.000 0.000 0.000 3/33600 360.0 1.040 0.659 1.183 0.000 0.000 0.000 3/33600 370.0 1.018 0.643 1.157 0.000 0.000 0.000 3/33600 380.0 0.996 0.628 1.133 0.000 0.000 0.000 3/33600 390.0 0.976 0.614 1.110 0.000 0.000 0.000 3/33600 400.0 0.957 0.600 1.089 0.000 0.000 0.000 3/33600 410.0 0.939 0.588 1.068 0.000 0.000 0.000 3/33600 420.0 0.922 0.576 1.049 0.000 0.000 0.000 3/33600 430.0 0.905 0.564 1.031 0.000 0.000 0.000 3/33600 440.0 0.890 0.553 1.014 0.000 0.000 0.000 3/33600 450.0 0.875 0.543 0.998 0.000 0.000 0.000 3/33600 460.0 0.861 0.533 0.983 0.000 0.000 0.000 3/33600 470.0 0.847 0.524 0.968 0.000 0.000 0.000 3/33600 480.0 0.834 0.515 0.954 0.000 0.000 0.000 3/33600 490.0 0.821 0.507 0.941 0.000 0.000 0.000 3/33600 500.0 0.809 0.499 0.928 0.000 0.000 0.000 3/33600 510.0 0.798 0.491 0.916 0.000 0.000 0.000 3/33600 520.0 0.786 0.483 0.904 0.000 0.000 0.000 3/33600 530.0 0.776 0.476 0.893 0.000 0.000 0.000 3/33600 540.0 0.765 0.469 0.882 0.000 0.000 0.000 3/33600 550.0 0.755 0.462 0.872 0.000 0.000 0.000 3/33600 560.0 0.745 0.456 0.862 0.000 0.000 0.000 3/33600 570.0 0.736 0.450 0.852 0.000 0.000 0.000 3/33600 580.0 0.727 0.443 0.842 0.000 0.000 0.000 3/33600 590.0 0.718 0.438 0.833 0.000 0.000 0.000 3/33600 600.0 0.709 0.432 0.824 0.000 0.000 0.000 3/33600 610.0 0.701 0.426 0.815 0.000 0.000 0.000 3/33600 620.0 0.692 0.421 0.807 0.000 0.000 0.000 3/33600 630.0 0.685 0.416 0.798 0.000 0.000 0.000 3/33600 640.0 0.677 0.411 0.790 0.000 0.000 0.000 3/33600 650.0 0.669 0.406 0.783 0.000 0.000 0.000 3/33600 660.0 0.662 0.401 0.775 0.000 0.000 0.000 3/33600 670.0 0.655 0.396 0.767 0.000 0.000 0.000 3/33600 680.0 0.648 0.392 0.760 0.000 0.000 0.000 3/33600 690.0 0.641 0.387 0.753 0.000 0.000 0.000 3/33600 700.0 0.634 0.383 0.746 0.000 0.000 0.000 3/33600 710.0 0.628 0.379 0.739 0.000 0.000 0.000 3/33600 720.0 0.621 0.375 0.732 0.000 0.000 0.000 3/33600 730.0 0.615 0.371 0.726 0.000 0.000 0.000 3/33600 740.0 0.609 0.367 0.719 0.000 0.000 0.000 3/33600 750.0 0.603 0.363 0.713 0.000 0.000 0.000 3/33600 760.0 0.597 0.359 0.706 0.000 0.000 0.000 3/33600 770.0 0.592 0.356 0.700 0.000 0.000 0.000 3/33600 780.0 0.586 0.352 0.694 0.000 0.000 0.000 3/33600 790.0 0.581 0.349 0.688 0.000 0.000 0.000 3/33600 800.0 0.575 0.345 0.682 0.000 0.000 0.000 3/33600 810.0 0.570 0.342 0.677 0.000 0.000 0.000 3/33600 820.0 0.565 0.338 0.671 0.000 0.000 0.000 3/33600 830.0 0.560 0.335 0.666 0.000 0.000 0.000 3/33600 840.0 0.555 0.332 0.660 0.000 0.000 0.000 3/33600 850.0 0.550 0.329 0.655 0.000 0.000 0.000 3/33600 860.0 0.545 0.326 0.649 0.000 0.000 0.000 3/33600 870.0 0.541 0.323 0.644 0.000 0.000 0.000 3/33600 880.0 0.536 0.320 0.639 0.000 0.000 0.000 3/33600 890.0 0.531 0.317 0.634 0.000 0.000 0.000 3/33600 900.0 0.527 0.314 0.629 0.000 0.000 0.000 3/33600 910.0 0.523 0.311 0.624 0.000 0.000 0.000 3/33600 920.0 0.518 0.309 0.619 0.000 0.000 0.000 3/33600 930.0 0.514 0.306 0.615 0.000 0.000 0.000 3/33600 940.0 0.510 0.303 0.610 0.000 0.000 0.000 3/33600 950.0 0.506 0.301 0.605 0.000 0.000 0.000 3/33600 960.0 0.502 0.298 0.601 0.000 0.000 0.000 3/33600 970.0 0.498 0.296 0.596 0.000 0.000 0.000 3/33600 980.0 0.494 0.293 0.592 0.000 0.000 0.000 3/33600 990.0 0.490 0.291 0.588 0.000 0.000 0.000 3/33600 1000.0 0.486 0.288 0.583 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m1087.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:20:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|