----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:38:18]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.922176555001482 -4.407423570000001 0.000000000000000 b 3.922176555001482 4.407423570000001 0.000000000000000 c -1.162223301623671 0.000000000000000 7.478156659548197 Atomic positions (fractional): *1 P 0.93822715758334 0.82400442724711 0.02254762628941 30.974 2 P 0.17599557275289 0.06177284241666 0.47745237371059 30.974 3 P 0.06177284241666 0.17599557275289 0.97745237371059 30.974 *4 P 0.80413087946048 0.19586912053952 0.75000000000000 30.974 5 P 0.19586912053952 0.80413087946048 0.25000000000000 30.974 6 P 0.82400442724711 0.93822715758334 0.52254762628941 30.974 *7 Cl 0.37080743177774 0.62919256822226 0.75000000000000 35.453 8 Cl 0.62919256822226 0.37080743177774 0.25000000000000 35.453 *9 Hg 0.86393747272222 0.59112587509802 0.67013259304229 200.590 10 Hg 0.40887412490199 0.13606252727778 0.82986740695771 200.590 11 Hg 0.59112587509802 0.86393747272222 0.17013259304229 200.590 12 Hg 0.13606252727778 0.40887412490199 0.32986740695771 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.844353110002965 0.000000000000000 0.000000000000000 b 0.000000000000000 8.814847140000001 0.000000000000000 c -1.162223301623671 0.000000000000000 7.478156659548197 Atomic positions (fractional): *1 P 0.88111579241522 0.94288863483189 0.02254762628941 30.974 > 1 2 P 0.11888420758478 0.94288863483189 0.47745237371059 30.974 > 2 3 P 0.11888420758478 0.05711136516811 0.97745237371059 30.974 > 3 *4 P 0.50000000000000 0.69586912053952 0.75000000000000 30.974 > 4 5 P 0.50000000000000 0.30413087946048 0.25000000000000 30.974 > 5 6 P 0.88111579241522 0.05711136516811 0.52254762628941 30.974 > 6 7 P 0.38111579241522 0.44288863483189 0.02254762628941 30.974 > 1 8 P 0.61888420758478 0.44288863483189 0.47745237371059 30.974 > 2 9 P 0.61888420758478 0.55711136516811 0.97745237371059 30.974 > 3 10 P 0.00000000000000 0.19586912053952 0.75000000000000 30.974 > 4 11 P 0.00000000000000 0.80413087946048 0.25000000000000 30.974 > 5 12 P 0.38111579241522 0.55711136516811 0.52254762628941 30.974 > 6 *13 Cl 0.50000000000000 0.12919256822226 0.75000000000000 35.453 > 7 14 Cl 0.50000000000000 0.87080743177774 0.25000000000000 35.453 > 8 15 Cl 0.00000000000000 0.62919256822226 0.75000000000000 35.453 > 7 16 Cl 0.00000000000000 0.37080743177774 0.25000000000000 35.453 > 8 *17 Hg 0.72753167391012 0.86359420118790 0.67013259304229 200.590 > 9 18 Hg 0.27246832608988 0.86359420118790 0.82986740695771 200.590 > 10 19 Hg 0.72753167391012 0.13640579881210 0.17013259304229 200.590 > 11 20 Hg 0.27246832608988 0.13640579881210 0.32986740695771 200.590 > 12 21 Hg 0.22753167391012 0.36359420118790 0.67013259304229 200.590 > 9 22 Hg 0.77246832608988 0.36359420118790 0.82986740695771 200.590 > 10 23 Hg 0.22753167391012 0.63640579881210 0.17013259304229 200.590 > 11 24 Hg 0.77246832608988 0.63640579881210 0.32986740695771 200.590 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.688706220005930 0.000000000000000 0.000000000000000 b 0.000000000000000 8.814847140000001 0.000000000000000 c -2.324446603247342 0.000000000000000 14.956313319096393 Atomic positions (fractional): *1 P 0.44055789620761 0.94288863483189 0.01127381314471 30.974 > 1 2 P 0.94055789620761 0.94288863483189 0.01127381314471 30.974 > 1 3 P 0.44055789620761 0.94288863483189 0.51127381314470 30.974 > 1 4 P 0.94055789620761 0.94288863483189 0.51127381314470 30.974 > 1 5 P 0.05944210379239 0.94288863483189 0.23872618685530 30.974 > 2 6 P 0.55944210379239 0.94288863483189 0.23872618685530 30.974 > 2 7 P 0.05944210379239 0.94288863483189 0.73872618685530 30.974 > 2 8 P 0.55944210379239 0.94288863483189 0.73872618685530 30.974 > 2 9 P 0.05944210379239 0.05711136516811 0.48872618685529 30.974 > 3 10 P 0.55944210379239 0.05711136516811 0.48872618685529 30.974 > 3 11 P 0.05944210379239 0.05711136516811 0.98872618685529 30.974 > 3 12 P 0.55944210379239 0.05711136516811 0.98872618685529 30.974 > 3 *13 P 0.25000000000000 0.69586912053952 0.37500000000000 30.974 > 4 14 P 0.75000000000000 0.69586912053952 0.37500000000000 30.974 > 4 15 P 0.25000000000000 0.69586912053952 0.87500000000000 30.974 > 4 16 P 0.75000000000000 0.69586912053952 0.87500000000000 30.974 > 4 17 P 0.25000000000000 0.30413087946048 0.12500000000000 30.974 > 5 18 P 0.75000000000000 0.30413087946048 0.12500000000000 30.974 > 5 19 P 0.25000000000000 0.30413087946048 0.62500000000000 30.974 > 5 20 P 0.75000000000000 0.30413087946048 0.62500000000000 30.974 > 5 21 P 0.44055789620761 0.05711136516811 0.26127381314471 30.974 > 6 22 P 0.94055789620761 0.05711136516811 0.26127381314471 30.974 > 6 23 P 0.44055789620761 0.05711136516811 0.76127381314471 30.974 > 6 24 P 0.94055789620761 0.05711136516811 0.76127381314471 30.974 > 6 25 P 0.19055789620761 0.44288863483189 0.01127381314471 30.974 > 1 26 P 0.69055789620761 0.44288863483189 0.01127381314471 30.974 > 1 27 P 0.19055789620761 0.44288863483189 0.51127381314470 30.974 > 1 28 P 0.69055789620761 0.44288863483189 0.51127381314470 30.974 > 1 29 P 0.30944210379239 0.44288863483189 0.23872618685530 30.974 > 2 30 P 0.80944210379239 0.44288863483189 0.23872618685530 30.974 > 2 31 P 0.30944210379239 0.44288863483189 0.73872618685530 30.974 > 2 32 P 0.80944210379239 0.44288863483189 0.73872618685530 30.974 > 2 33 P 0.30944210379239 0.55711136516811 0.48872618685529 30.974 > 3 34 P 0.80944210379239 0.55711136516811 0.48872618685529 30.974 > 3 35 P 0.30944210379239 0.55711136516811 0.98872618685529 30.974 > 3 36 P 0.80944210379239 0.55711136516811 0.98872618685529 30.974 > 3 37 P 0.00000000000000 0.19586912053952 0.37500000000000 30.974 > 4 38 P 0.50000000000000 0.19586912053952 0.37500000000000 30.974 > 4 39 P 0.00000000000000 0.19586912053952 0.87500000000000 30.974 > 4 40 P 0.50000000000000 0.19586912053952 0.87500000000000 30.974 > 4 41 P 0.00000000000000 0.80413087946048 0.12500000000000 30.974 > 5 42 P 0.50000000000000 0.80413087946048 0.12500000000000 30.974 > 5 43 P 0.00000000000000 0.80413087946048 0.62500000000000 30.974 > 5 44 P 0.50000000000000 0.80413087946048 0.62500000000000 30.974 > 5 45 P 0.19055789620761 0.55711136516811 0.26127381314471 30.974 > 6 46 P 0.69055789620761 0.55711136516811 0.26127381314471 30.974 > 6 47 P 0.19055789620761 0.55711136516811 0.76127381314471 30.974 > 6 48 P 0.69055789620761 0.55711136516811 0.76127381314471 30.974 > 6 *49 Cl 0.25000000000000 0.12919256822226 0.37500000000000 35.453 > 7 50 Cl 0.75000000000000 0.12919256822226 0.37500000000000 35.453 > 7 51 Cl 0.25000000000000 0.12919256822226 0.87500000000000 35.453 > 7 52 Cl 0.75000000000000 0.12919256822226 0.87500000000000 35.453 > 7 53 Cl 0.25000000000000 0.87080743177774 0.12500000000000 35.453 > 8 54 Cl 0.75000000000000 0.87080743177774 0.12500000000000 35.453 > 8 55 Cl 0.25000000000000 0.87080743177774 0.62500000000000 35.453 > 8 56 Cl 0.75000000000000 0.87080743177774 0.62500000000000 35.453 > 8 57 Cl 0.00000000000000 0.62919256822226 0.37500000000000 35.453 > 7 58 Cl 0.50000000000000 0.62919256822226 0.37500000000000 35.453 > 7 59 Cl 0.00000000000000 0.62919256822226 0.87500000000000 35.453 > 7 60 Cl 0.50000000000000 0.62919256822226 0.87500000000000 35.453 > 7 61 Cl 0.00000000000000 0.37080743177774 0.12500000000000 35.453 > 8 62 Cl 0.50000000000000 0.37080743177774 0.12500000000000 35.453 > 8 63 Cl 0.00000000000000 0.37080743177774 0.62500000000000 35.453 > 8 64 Cl 0.50000000000000 0.37080743177774 0.62500000000000 35.453 > 8 *65 Hg 0.36376583695506 0.86359420118790 0.33506629652115 200.590 > 9 66 Hg 0.86376583695506 0.86359420118790 0.33506629652115 200.590 > 9 67 Hg 0.36376583695506 0.86359420118790 0.83506629652115 200.590 > 9 68 Hg 0.86376583695506 0.86359420118790 0.83506629652115 200.590 > 9 69 Hg 0.13623416304494 0.86359420118790 0.41493370347885 200.590 > 10 70 Hg 0.63623416304494 0.86359420118790 0.41493370347885 200.590 > 10 71 Hg 0.13623416304494 0.86359420118790 0.91493370347885 200.590 > 10 72 Hg 0.63623416304494 0.86359420118790 0.91493370347885 200.590 > 10 73 Hg 0.36376583695506 0.13640579881210 0.08506629652115 200.590 > 11 74 Hg 0.86376583695506 0.13640579881210 0.08506629652115 200.590 > 11 75 Hg 0.36376583695506 0.13640579881210 0.58506629652115 200.590 > 11 76 Hg 0.86376583695506 0.13640579881210 0.58506629652115 200.590 > 11 77 Hg 0.13623416304494 0.13640579881210 0.16493370347885 200.590 > 12 78 Hg 0.63623416304494 0.13640579881210 0.16493370347885 200.590 > 12 79 Hg 0.13623416304494 0.13640579881210 0.66493370347885 200.590 > 12 80 Hg 0.63623416304494 0.13640579881210 0.66493370347885 200.590 > 12 81 Hg 0.11376583695506 0.36359420118790 0.33506629652115 200.590 > 9 82 Hg 0.61376583695506 0.36359420118790 0.33506629652115 200.590 > 9 83 Hg 0.11376583695506 0.36359420118790 0.83506629652115 200.590 > 9 84 Hg 0.61376583695506 0.36359420118790 0.83506629652115 200.590 > 9 85 Hg 0.38623416304494 0.36359420118790 0.41493370347885 200.590 > 10 86 Hg 0.88623416304494 0.36359420118790 0.41493370347885 200.590 > 10 87 Hg 0.38623416304494 0.36359420118790 0.91493370347885 200.590 > 10 88 Hg 0.88623416304494 0.36359420118790 0.91493370347885 200.590 > 10 89 Hg 0.11376583695506 0.63640579881210 0.08506629652115 200.590 > 11 90 Hg 0.61376583695506 0.63640579881210 0.08506629652115 200.590 > 11 91 Hg 0.11376583695506 0.63640579881210 0.58506629652115 200.590 > 11 92 Hg 0.61376583695506 0.63640579881210 0.58506629652115 200.590 > 11 93 Hg 0.38623416304494 0.63640579881210 0.16493370347885 200.590 > 12 94 Hg 0.88623416304494 0.63640579881210 0.16493370347885 200.590 > 12 95 Hg 0.38623416304494 0.63640579881210 0.66493370347885 200.590 > 12 96 Hg 0.88623416304494 0.63640579881210 0.66493370347885 200.590 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.9418510 0.0000000 -0.4949249 0.0000000 11.3732979 0.0000000 -0.4949261 0.0000000 12.8663575 -------------------------- Born effective charges -------------------------- 1 P -0.5117194 0.3174809 -0.1715524 -0.0005476 -0.5918142 -0.2427431 -0.4937187 0.3180024 -1.1199359 2 P -0.5117194 -0.3174809 -0.1715524 0.0005476 -0.5918142 0.2427431 -0.4937187 -0.3180024 -1.1199359 3 P -0.5117194 0.3174809 -0.1715524 -0.0005476 -0.5918142 -0.2427431 -0.4937187 0.3180024 -1.1199359 4 P -0.5964164 0.0000000 0.5038007 0.0000000 -0.2139736 0.0000000 0.7659759 0.0000000 -0.1171116 5 P -0.5964164 0.0000000 0.5038007 0.0000000 -0.2139736 0.0000000 0.7659759 0.0000000 -0.1171116 6 P -0.5117194 -0.3174809 -0.1715524 0.0005476 -0.5918142 0.2427431 -0.4937187 -0.3180024 -1.1199359 7 Cl -2.6823165 0.0000000 -0.3245537 0.0000000 -2.5562547 0.0000000 -0.0506990 0.0000000 -1.8009075 8 Cl -2.6823165 0.0000000 -0.3245537 0.0000000 -2.5562547 0.0000000 -0.0506990 0.0000000 -1.8009075 9 Hg 2.1510859 0.2868464 0.0819289 0.2551814 1.9769283 0.0340786 0.1360803 -0.0647740 2.0789455 10 Hg 2.1510859 -0.2868464 0.0819289 -0.2551814 1.9769283 -0.0340786 0.1360803 0.0647740 2.0789455 11 Hg 2.1510859 -0.2868464 0.0819289 -0.2551814 1.9769283 -0.0340786 0.1360803 0.0647740 2.0789455 12 Hg 2.1510859 0.2868464 0.0819289 0.2551814 1.9769283 0.0340786 0.1360803 -0.0647740 2.0789455 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.557 Solver_block: 200 / 400 - Time: 1.588 Solver_block: 300 / 400 - Time: 1.584 Solver_block: 400 / 400 - Time: 1.582 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.345 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:38:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:38:40]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.922176555001482 -4.407423570000001 0.000000000000000 b 3.922176555001482 4.407423570000001 0.000000000000000 c -1.162223301623671 0.000000000000000 7.478156659548197 Atomic positions (fractional): 1 P 0.93822715758334 0.82400442724711 0.02254762628941 30.974 2 P 0.17599557275289 0.06177284241666 0.47745237371059 30.974 3 P 0.06177284241666 0.17599557275289 0.97745237371059 30.974 4 P 0.80413087946048 0.19586912053952 0.75000000000000 30.974 5 P 0.19586912053952 0.80413087946048 0.25000000000000 30.974 6 P 0.82400442724711 0.93822715758334 0.52254762628941 30.974 7 Cl 0.37080743177774 0.62919256822226 0.75000000000000 35.453 8 Cl 0.62919256822226 0.37080743177774 0.25000000000000 35.453 9 Hg 0.86393747272222 0.59112587509802 0.67013259304229 200.590 10 Hg 0.40887412490199 0.13606252727778 0.82986740695771 200.590 11 Hg 0.59112587509802 0.86393747272222 0.17013259304229 200.590 12 Hg 0.13606252727778 0.40887412490199 0.32986740695771 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.688706220005930 0.000000000000000 0.000000000000000 b 0.000000000000000 8.814847140000001 0.000000000000000 c -2.324446603247342 0.000000000000000 14.956313319096393 Atomic positions (fractional): 1 P 0.44055789620761 0.94288863483189 0.01127381314471 30.974 > 1 2 P 0.94055789620761 0.94288863483189 0.01127381314471 30.974 > 1 3 P 0.44055789620761 0.94288863483189 0.51127381314470 30.974 > 1 4 P 0.94055789620761 0.94288863483189 0.51127381314470 30.974 > 1 5 P 0.05944210379239 0.94288863483189 0.23872618685530 30.974 > 5 6 P 0.55944210379239 0.94288863483189 0.23872618685530 30.974 > 5 7 P 0.05944210379239 0.94288863483189 0.73872618685530 30.974 > 5 8 P 0.55944210379239 0.94288863483189 0.73872618685530 30.974 > 5 9 P 0.05944210379239 0.05711136516811 0.48872618685529 30.974 > 9 10 P 0.55944210379239 0.05711136516811 0.48872618685529 30.974 > 9 11 P 0.05944210379239 0.05711136516811 0.98872618685529 30.974 > 9 12 P 0.55944210379239 0.05711136516811 0.98872618685529 30.974 > 9 13 P 0.25000000000000 0.69586912053952 0.37500000000000 30.974 > 13 14 P 0.75000000000000 0.69586912053952 0.37500000000000 30.974 > 13 15 P 0.25000000000000 0.69586912053952 0.87500000000000 30.974 > 13 16 P 0.75000000000000 0.69586912053952 0.87500000000000 30.974 > 13 17 P 0.25000000000000 0.30413087946048 0.12500000000000 30.974 > 17 18 P 0.75000000000000 0.30413087946048 0.12500000000000 30.974 > 17 19 P 0.25000000000000 0.30413087946048 0.62500000000000 30.974 > 17 20 P 0.75000000000000 0.30413087946048 0.62500000000000 30.974 > 17 21 P 0.44055789620761 0.05711136516811 0.26127381314471 30.974 > 21 22 P 0.94055789620761 0.05711136516811 0.26127381314471 30.974 > 21 23 P 0.44055789620761 0.05711136516811 0.76127381314471 30.974 > 21 24 P 0.94055789620761 0.05711136516811 0.76127381314471 30.974 > 21 25 P 0.19055789620761 0.44288863483189 0.01127381314471 30.974 > 1 26 P 0.69055789620761 0.44288863483189 0.01127381314471 30.974 > 1 27 P 0.19055789620761 0.44288863483189 0.51127381314470 30.974 > 1 28 P 0.69055789620761 0.44288863483189 0.51127381314470 30.974 > 1 29 P 0.30944210379239 0.44288863483189 0.23872618685530 30.974 > 5 30 P 0.80944210379239 0.44288863483189 0.23872618685530 30.974 > 5 31 P 0.30944210379239 0.44288863483189 0.73872618685530 30.974 > 5 32 P 0.80944210379239 0.44288863483189 0.73872618685530 30.974 > 5 33 P 0.30944210379239 0.55711136516811 0.48872618685529 30.974 > 9 34 P 0.80944210379239 0.55711136516811 0.48872618685529 30.974 > 9 35 P 0.30944210379239 0.55711136516811 0.98872618685529 30.974 > 9 36 P 0.80944210379239 0.55711136516811 0.98872618685529 30.974 > 9 37 P 0.00000000000000 0.19586912053952 0.37500000000000 30.974 > 13 38 P 0.50000000000000 0.19586912053952 0.37500000000000 30.974 > 13 39 P 0.00000000000000 0.19586912053952 0.87500000000000 30.974 > 13 40 P 0.50000000000000 0.19586912053952 0.87500000000000 30.974 > 13 41 P 0.00000000000000 0.80413087946048 0.12500000000000 30.974 > 17 42 P 0.50000000000000 0.80413087946048 0.12500000000000 30.974 > 17 43 P 0.00000000000000 0.80413087946048 0.62500000000000 30.974 > 17 44 P 0.50000000000000 0.80413087946048 0.62500000000000 30.974 > 17 45 P 0.19055789620761 0.55711136516811 0.26127381314471 30.974 > 21 46 P 0.69055789620761 0.55711136516811 0.26127381314471 30.974 > 21 47 P 0.19055789620761 0.55711136516811 0.76127381314471 30.974 > 21 48 P 0.69055789620761 0.55711136516811 0.76127381314471 30.974 > 21 49 Cl 0.25000000000000 0.12919256822226 0.37500000000000 35.453 > 49 50 Cl 0.75000000000000 0.12919256822226 0.37500000000000 35.453 > 49 51 Cl 0.25000000000000 0.12919256822226 0.87500000000000 35.453 > 49 52 Cl 0.75000000000000 0.12919256822226 0.87500000000000 35.453 > 49 53 Cl 0.25000000000000 0.87080743177774 0.12500000000000 35.453 > 53 54 Cl 0.75000000000000 0.87080743177774 0.12500000000000 35.453 > 53 55 Cl 0.25000000000000 0.87080743177774 0.62500000000000 35.453 > 53 56 Cl 0.75000000000000 0.87080743177774 0.62500000000000 35.453 > 53 57 Cl 0.00000000000000 0.62919256822226 0.37500000000000 35.453 > 49 58 Cl 0.50000000000000 0.62919256822226 0.37500000000000 35.453 > 49 59 Cl 0.00000000000000 0.62919256822226 0.87500000000000 35.453 > 49 60 Cl 0.50000000000000 0.62919256822226 0.87500000000000 35.453 > 49 61 Cl 0.00000000000000 0.37080743177774 0.12500000000000 35.453 > 53 62 Cl 0.50000000000000 0.37080743177774 0.12500000000000 35.453 > 53 63 Cl 0.00000000000000 0.37080743177774 0.62500000000000 35.453 > 53 64 Cl 0.50000000000000 0.37080743177774 0.62500000000000 35.453 > 53 65 Hg 0.36376583695506 0.86359420118790 0.33506629652115 200.590 > 65 66 Hg 0.86376583695506 0.86359420118790 0.33506629652115 200.590 > 65 67 Hg 0.36376583695506 0.86359420118790 0.83506629652115 200.590 > 65 68 Hg 0.86376583695506 0.86359420118790 0.83506629652115 200.590 > 65 69 Hg 0.13623416304494 0.86359420118790 0.41493370347885 200.590 > 69 70 Hg 0.63623416304494 0.86359420118790 0.41493370347885 200.590 > 69 71 Hg 0.13623416304494 0.86359420118790 0.91493370347885 200.590 > 69 72 Hg 0.63623416304494 0.86359420118790 0.91493370347885 200.590 > 69 73 Hg 0.36376583695506 0.13640579881210 0.08506629652115 200.590 > 73 74 Hg 0.86376583695506 0.13640579881210 0.08506629652115 200.590 > 73 75 Hg 0.36376583695506 0.13640579881210 0.58506629652115 200.590 > 73 76 Hg 0.86376583695506 0.13640579881210 0.58506629652115 200.590 > 73 77 Hg 0.13623416304494 0.13640579881210 0.16493370347885 200.590 > 77 78 Hg 0.63623416304494 0.13640579881210 0.16493370347885 200.590 > 77 79 Hg 0.13623416304494 0.13640579881210 0.66493370347885 200.590 > 77 80 Hg 0.63623416304494 0.13640579881210 0.66493370347885 200.590 > 77 81 Hg 0.11376583695506 0.36359420118790 0.33506629652115 200.590 > 65 82 Hg 0.61376583695506 0.36359420118790 0.33506629652115 200.590 > 65 83 Hg 0.11376583695506 0.36359420118790 0.83506629652115 200.590 > 65 84 Hg 0.61376583695506 0.36359420118790 0.83506629652115 200.590 > 65 85 Hg 0.38623416304494 0.36359420118790 0.41493370347885 200.590 > 69 86 Hg 0.88623416304494 0.36359420118790 0.41493370347885 200.590 > 69 87 Hg 0.38623416304494 0.36359420118790 0.91493370347885 200.590 > 69 88 Hg 0.88623416304494 0.36359420118790 0.91493370347885 200.590 > 69 89 Hg 0.11376583695506 0.63640579881210 0.08506629652115 200.590 > 73 90 Hg 0.61376583695506 0.63640579881210 0.08506629652115 200.590 > 73 91 Hg 0.11376583695506 0.63640579881210 0.58506629652115 200.590 > 73 92 Hg 0.61376583695506 0.63640579881210 0.58506629652115 200.590 > 73 93 Hg 0.38623416304494 0.63640579881210 0.16493370347885 200.590 > 77 94 Hg 0.88623416304494 0.63640579881210 0.16493370347885 200.590 > 77 95 Hg 0.38623416304494 0.63640579881210 0.66493370347885 200.590 > 77 96 Hg 0.88623416304494 0.63640579881210 0.66493370347885 200.590 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.9418510 0.0000000 -0.4949249 0.0000000 11.3732979 0.0000000 -0.4949261 0.0000000 12.8663575 -------------------------- Born effective charges -------------------------- 1 P -0.5117194 0.3174809 -0.1715524 -0.0005476 -0.5918142 -0.2427431 -0.4937187 0.3180024 -1.1199359 2 P -0.5117194 -0.3174809 -0.1715524 0.0005476 -0.5918142 0.2427431 -0.4937187 -0.3180024 -1.1199359 3 P -0.5117194 0.3174809 -0.1715524 -0.0005476 -0.5918142 -0.2427431 -0.4937187 0.3180024 -1.1199359 4 P -0.5964164 0.0000000 0.5038007 0.0000000 -0.2139736 0.0000000 0.7659759 0.0000000 -0.1171116 5 P -0.5964164 0.0000000 0.5038007 0.0000000 -0.2139736 0.0000000 0.7659759 0.0000000 -0.1171116 6 P -0.5117194 -0.3174809 -0.1715524 0.0005476 -0.5918142 0.2427431 -0.4937187 -0.3180024 -1.1199359 7 Cl -2.6823165 0.0000000 -0.3245537 0.0000000 -2.5562547 0.0000000 -0.0506990 0.0000000 -1.8009075 8 Cl -2.6823165 0.0000000 -0.3245537 0.0000000 -2.5562547 0.0000000 -0.0506990 0.0000000 -1.8009075 9 Hg 2.1510859 0.2868464 0.0819289 0.2551814 1.9769283 0.0340786 0.1360803 -0.0647740 2.0789455 10 Hg 2.1510859 -0.2868464 0.0819289 -0.2551814 1.9769283 -0.0340786 0.1360803 0.0647740 2.0789455 11 Hg 2.1510859 -0.2868464 0.0819289 -0.2551814 1.9769283 -0.0340786 0.1360803 0.0647740 2.0789455 12 Hg 2.1510859 0.2868464 0.0819289 0.2551814 1.9769283 0.0340786 0.1360803 -0.0647740 2.0789455 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:38:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:38:53]------------------------- 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 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.922176555001482 -4.407423570000001 0.000000000000000 b 3.922176555001482 4.407423570000001 0.000000000000000 c -1.162223301623671 0.000000000000000 7.478156659548197 Atomic positions (fractional): 1 P 0.93822715758334 0.82400442724711 0.02254762628941 30.974 2 P 0.17599557275289 0.06177284241666 0.47745237371059 30.974 3 P 0.06177284241666 0.17599557275289 0.97745237371059 30.974 4 P 0.80413087946048 0.19586912053952 0.75000000000000 30.974 5 P 0.19586912053952 0.80413087946048 0.25000000000000 30.974 6 P 0.82400442724711 0.93822715758334 0.52254762628941 30.974 7 Cl 0.37080743177774 0.62919256822226 0.75000000000000 35.453 8 Cl 0.62919256822226 0.37080743177774 0.25000000000000 35.453 9 Hg 0.86393747272222 0.59112587509802 0.67013259304229 200.590 10 Hg 0.40887412490199 0.13606252727778 0.82986740695771 200.590 11 Hg 0.59112587509802 0.86393747272222 0.17013259304229 200.590 12 Hg 0.13606252727778 0.40887412490199 0.32986740695771 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.688706220005930 0.000000000000000 0.000000000000000 b 0.000000000000000 8.814847140000001 0.000000000000000 c -2.324446603247342 0.000000000000000 14.956313319096393 Atomic positions (fractional): 1 P 0.44055789620761 0.94288863483189 0.01127381314471 30.974 > 1 2 P 0.94055789620761 0.94288863483189 0.01127381314471 30.974 > 1 3 P 0.44055789620761 0.94288863483189 0.51127381314470 30.974 > 1 4 P 0.94055789620761 0.94288863483189 0.51127381314470 30.974 > 1 5 P 0.05944210379239 0.94288863483189 0.23872618685530 30.974 > 5 6 P 0.55944210379239 0.94288863483189 0.23872618685530 30.974 > 5 7 P 0.05944210379239 0.94288863483189 0.73872618685530 30.974 > 5 8 P 0.55944210379239 0.94288863483189 0.73872618685530 30.974 > 5 9 P 0.05944210379239 0.05711136516811 0.48872618685529 30.974 > 9 10 P 0.55944210379239 0.05711136516811 0.48872618685529 30.974 > 9 11 P 0.05944210379239 0.05711136516811 0.98872618685529 30.974 > 9 12 P 0.55944210379239 0.05711136516811 0.98872618685529 30.974 > 9 13 P 0.25000000000000 0.69586912053952 0.37500000000000 30.974 > 13 14 P 0.75000000000000 0.69586912053952 0.37500000000000 30.974 > 13 15 P 0.25000000000000 0.69586912053952 0.87500000000000 30.974 > 13 16 P 0.75000000000000 0.69586912053952 0.87500000000000 30.974 > 13 17 P 0.25000000000000 0.30413087946048 0.12500000000000 30.974 > 17 18 P 0.75000000000000 0.30413087946048 0.12500000000000 30.974 > 17 19 P 0.25000000000000 0.30413087946048 0.62500000000000 30.974 > 17 20 P 0.75000000000000 0.30413087946048 0.62500000000000 30.974 > 17 21 P 0.44055789620761 0.05711136516811 0.26127381314471 30.974 > 21 22 P 0.94055789620761 0.05711136516811 0.26127381314471 30.974 > 21 23 P 0.44055789620761 0.05711136516811 0.76127381314471 30.974 > 21 24 P 0.94055789620761 0.05711136516811 0.76127381314471 30.974 > 21 25 P 0.19055789620761 0.44288863483189 0.01127381314471 30.974 > 1 26 P 0.69055789620761 0.44288863483189 0.01127381314471 30.974 > 1 27 P 0.19055789620761 0.44288863483189 0.51127381314470 30.974 > 1 28 P 0.69055789620761 0.44288863483189 0.51127381314470 30.974 > 1 29 P 0.30944210379239 0.44288863483189 0.23872618685530 30.974 > 5 30 P 0.80944210379239 0.44288863483189 0.23872618685530 30.974 > 5 31 P 0.30944210379239 0.44288863483189 0.73872618685530 30.974 > 5 32 P 0.80944210379239 0.44288863483189 0.73872618685530 30.974 > 5 33 P 0.30944210379239 0.55711136516811 0.48872618685529 30.974 > 9 34 P 0.80944210379239 0.55711136516811 0.48872618685529 30.974 > 9 35 P 0.30944210379239 0.55711136516811 0.98872618685529 30.974 > 9 36 P 0.80944210379239 0.55711136516811 0.98872618685529 30.974 > 9 37 P 0.00000000000000 0.19586912053952 0.37500000000000 30.974 > 13 38 P 0.50000000000000 0.19586912053952 0.37500000000000 30.974 > 13 39 P 0.00000000000000 0.19586912053952 0.87500000000000 30.974 > 13 40 P 0.50000000000000 0.19586912053952 0.87500000000000 30.974 > 13 41 P 0.00000000000000 0.80413087946048 0.12500000000000 30.974 > 17 42 P 0.50000000000000 0.80413087946048 0.12500000000000 30.974 > 17 43 P 0.00000000000000 0.80413087946048 0.62500000000000 30.974 > 17 44 P 0.50000000000000 0.80413087946048 0.62500000000000 30.974 > 17 45 P 0.19055789620761 0.55711136516811 0.26127381314471 30.974 > 21 46 P 0.69055789620761 0.55711136516811 0.26127381314471 30.974 > 21 47 P 0.19055789620761 0.55711136516811 0.76127381314471 30.974 > 21 48 P 0.69055789620761 0.55711136516811 0.76127381314471 30.974 > 21 49 Cl 0.25000000000000 0.12919256822226 0.37500000000000 35.453 > 49 50 Cl 0.75000000000000 0.12919256822226 0.37500000000000 35.453 > 49 51 Cl 0.25000000000000 0.12919256822226 0.87500000000000 35.453 > 49 52 Cl 0.75000000000000 0.12919256822226 0.87500000000000 35.453 > 49 53 Cl 0.25000000000000 0.87080743177774 0.12500000000000 35.453 > 53 54 Cl 0.75000000000000 0.87080743177774 0.12500000000000 35.453 > 53 55 Cl 0.25000000000000 0.87080743177774 0.62500000000000 35.453 > 53 56 Cl 0.75000000000000 0.87080743177774 0.62500000000000 35.453 > 53 57 Cl 0.00000000000000 0.62919256822226 0.37500000000000 35.453 > 49 58 Cl 0.50000000000000 0.62919256822226 0.37500000000000 35.453 > 49 59 Cl 0.00000000000000 0.62919256822226 0.87500000000000 35.453 > 49 60 Cl 0.50000000000000 0.62919256822226 0.87500000000000 35.453 > 49 61 Cl 0.00000000000000 0.37080743177774 0.12500000000000 35.453 > 53 62 Cl 0.50000000000000 0.37080743177774 0.12500000000000 35.453 > 53 63 Cl 0.00000000000000 0.37080743177774 0.62500000000000 35.453 > 53 64 Cl 0.50000000000000 0.37080743177774 0.62500000000000 35.453 > 53 65 Hg 0.36376583695506 0.86359420118790 0.33506629652115 200.590 > 65 66 Hg 0.86376583695506 0.86359420118790 0.33506629652115 200.590 > 65 67 Hg 0.36376583695506 0.86359420118790 0.83506629652115 200.590 > 65 68 Hg 0.86376583695506 0.86359420118790 0.83506629652115 200.590 > 65 69 Hg 0.13623416304494 0.86359420118790 0.41493370347885 200.590 > 69 70 Hg 0.63623416304494 0.86359420118790 0.41493370347885 200.590 > 69 71 Hg 0.13623416304494 0.86359420118790 0.91493370347885 200.590 > 69 72 Hg 0.63623416304494 0.86359420118790 0.91493370347885 200.590 > 69 73 Hg 0.36376583695506 0.13640579881210 0.08506629652115 200.590 > 73 74 Hg 0.86376583695506 0.13640579881210 0.08506629652115 200.590 > 73 75 Hg 0.36376583695506 0.13640579881210 0.58506629652115 200.590 > 73 76 Hg 0.86376583695506 0.13640579881210 0.58506629652115 200.590 > 73 77 Hg 0.13623416304494 0.13640579881210 0.16493370347885 200.590 > 77 78 Hg 0.63623416304494 0.13640579881210 0.16493370347885 200.590 > 77 79 Hg 0.13623416304494 0.13640579881210 0.66493370347885 200.590 > 77 80 Hg 0.63623416304494 0.13640579881210 0.66493370347885 200.590 > 77 81 Hg 0.11376583695506 0.36359420118790 0.33506629652115 200.590 > 65 82 Hg 0.61376583695506 0.36359420118790 0.33506629652115 200.590 > 65 83 Hg 0.11376583695506 0.36359420118790 0.83506629652115 200.590 > 65 84 Hg 0.61376583695506 0.36359420118790 0.83506629652115 200.590 > 65 85 Hg 0.38623416304494 0.36359420118790 0.41493370347885 200.590 > 69 86 Hg 0.88623416304494 0.36359420118790 0.41493370347885 200.590 > 69 87 Hg 0.38623416304494 0.36359420118790 0.91493370347885 200.590 > 69 88 Hg 0.88623416304494 0.36359420118790 0.91493370347885 200.590 > 69 89 Hg 0.11376583695506 0.63640579881210 0.08506629652115 200.590 > 73 90 Hg 0.61376583695506 0.63640579881210 0.08506629652115 200.590 > 73 91 Hg 0.11376583695506 0.63640579881210 0.58506629652115 200.590 > 73 92 Hg 0.61376583695506 0.63640579881210 0.58506629652115 200.590 > 73 93 Hg 0.38623416304494 0.63640579881210 0.16493370347885 200.590 > 77 94 Hg 0.88623416304494 0.63640579881210 0.16493370347885 200.590 > 77 95 Hg 0.38623416304494 0.63640579881210 0.66493370347885 200.590 > 77 96 Hg 0.88623416304494 0.63640579881210 0.66493370347885 200.590 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.9418510 0.0000000 -0.4949249 0.0000000 11.3732979 0.0000000 -0.4949261 0.0000000 12.8663575 -------------------------- Born effective charges -------------------------- 1 P -0.5117194 0.3174809 -0.1715524 -0.0005476 -0.5918142 -0.2427431 -0.4937187 0.3180024 -1.1199359 2 P -0.5117194 -0.3174809 -0.1715524 0.0005476 -0.5918142 0.2427431 -0.4937187 -0.3180024 -1.1199359 3 P -0.5117194 0.3174809 -0.1715524 -0.0005476 -0.5918142 -0.2427431 -0.4937187 0.3180024 -1.1199359 4 P -0.5964164 0.0000000 0.5038007 0.0000000 -0.2139736 0.0000000 0.7659759 0.0000000 -0.1171116 5 P -0.5964164 0.0000000 0.5038007 0.0000000 -0.2139736 0.0000000 0.7659759 0.0000000 -0.1171116 6 P -0.5117194 -0.3174809 -0.1715524 0.0005476 -0.5918142 0.2427431 -0.4937187 -0.3180024 -1.1199359 7 Cl -2.6823165 0.0000000 -0.3245537 0.0000000 -2.5562547 0.0000000 -0.0506990 0.0000000 -1.8009075 8 Cl -2.6823165 0.0000000 -0.3245537 0.0000000 -2.5562547 0.0000000 -0.0506990 0.0000000 -1.8009075 9 Hg 2.1510859 0.2868464 0.0819289 0.2551814 1.9769283 0.0340786 0.1360803 -0.0647740 2.0789455 10 Hg 2.1510859 -0.2868464 0.0819289 -0.2551814 1.9769283 -0.0340786 0.1360803 0.0647740 2.0789455 11 Hg 2.1510859 -0.2868464 0.0819289 -0.2551814 1.9769283 -0.0340786 0.1360803 0.0647740 2.0789455 12 Hg 2.1510859 0.2868464 0.0819289 0.2551814 1.9769283 0.0340786 0.1360803 -0.0647740 2.0789455 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 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: 0.65, Number of G-points: 295, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.910 ( 0.000 0.000 0.000) 0.000 1.069 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.451 ( 0.000 0.000 0.000) 0.000 1.468 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.957 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 9.058 ( 0.000 0.000 0.000) 0.000 9.116 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.844 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.446 ( 0.000 0.000 0.000) 0.000 12.610 ( 0.000 0.000 0.000) 0.000 12.807 ( 0.000 0.000 0.000) 0.000 13.145 ( 0.000 0.000 0.000) 0.000 13.454 ( 0.000 0.000 0.000) 0.000 13.625 ( 0.000 0.000 0.000) 0.000 13.859 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 13.573 -6.078 -1.784) 14.979 0.369 ( 12.624 -12.238 9.094) 19.795 0.750 ( 25.721 -21.900 -5.667) 34.253 0.926 ( 2.248 0.019 -0.086) 2.250 1.066 ( -1.770 -1.552 1.444) 2.762 1.343 ( 0.841 2.514 1.279) 2.944 1.452 ( 1.988 -3.876 0.679) 4.409 1.535 ( 4.699 -0.892 -3.000) 5.646 1.581 ( 0.636 -2.212 -0.090) 2.304 1.735 ( -5.658 -7.600 1.668) 9.620 1.997 ( 2.390 1.128 10.229) 10.565 2.138 ( 6.775 -0.423 -0.461) 6.803 2.469 ( -1.269 0.727 -0.389) 1.514 2.532 ( -2.932 -0.606 2.721) 4.046 3.147 ( 14.910 8.681 5.662) 18.158 3.363 ( 4.393 -3.221 -0.698) 5.491 3.514 ( -4.159 -6.376 2.440) 7.994 3.758 ( 1.575 -2.827 0.454) 3.268 4.162 ( -0.678 -3.625 3.762) 5.268 4.420 ( 2.642 1.382 -3.695) 4.748 4.878 ( -3.261 0.179 0.539) 3.310 5.866 ( -1.792 3.416 -2.540) 4.619 7.575 ( -2.834 2.995 -0.089) 4.124 8.765 ( -0.839 3.056 -0.974) 3.316 9.019 ( 0.201 4.635 0.642) 4.683 9.161 ( -2.210 -4.916 -0.616) 5.425 9.756 ( -5.269 3.268 0.876) 6.261 9.831 ( -1.248 -1.530 0.189) 1.984 10.122 ( 7.324 -0.767 -2.108) 7.660 10.474 ( 2.224 -1.812 -0.153) 2.873 12.615 ( 0.023 -0.630 0.207) 0.663 12.814 ( 0.181 -0.617 0.637) 0.905 13.151 ( 0.805 1.964 1.955) 2.886 13.494 ( 1.909 -3.655 -0.698) 4.182 13.627 ( 0.105 -0.252 0.044) 0.276 13.851 ( -0.748 0.489 0.255) 0.929 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 9.614 -3.899 -2.080) 10.581 0.693 ( 10.080 -10.707 6.187) 15.954 0.959 ( 3.423 1.256 -1.582) 3.975 1.036 ( -1.462 -1.612 1.190) 2.481 1.183 ( 9.927 -3.217 -0.560) 10.450 1.322 ( -3.318 -3.596 2.401) 5.450 1.487 ( -4.695 0.150 2.936) 5.539 1.591 ( 4.411 0.599 -2.669) 5.191 1.615 ( -0.264 -2.596 -0.623) 2.683 1.913 ( 10.421 -11.869 2.013) 15.922 2.061 ( 4.358 -0.640 4.193) 6.081 2.338 ( 13.111 -11.147 -3.372) 17.537 2.433 ( -1.215 1.495 -0.856) 2.108 2.510 ( -2.897 -2.421 3.000) 4.822 3.279 ( 8.699 0.295 5.115) 10.096 3.482 ( 5.213 -3.339 -0.092) 6.191 3.562 ( 1.966 -4.335 -1.942) 5.141 3.844 ( 3.609 -4.543 0.797) 5.856 4.221 ( 1.394 -3.794 1.416) 4.283 4.432 ( 0.929 0.131 -0.915) 1.310 4.820 ( -3.651 0.858 0.935) 3.865 5.762 ( -3.229 5.846 -4.364) 7.978 7.464 ( -4.891 5.421 0.402) 7.312 8.699 ( -1.959 3.254 -0.684) 3.859 8.962 ( 0.410 5.642 -0.127) 5.658 9.168 ( -3.352 -2.630 -0.321) 4.273 9.656 ( -3.948 1.873 2.163) 4.876 9.837 ( -1.021 -1.849 0.421) 2.153 10.228 ( 6.558 -0.644 -1.584) 6.777 10.544 ( 3.250 -2.650 -0.271) 4.202 12.627 ( 0.096 -1.042 0.314) 1.093 12.824 ( -0.141 -0.397 0.812) 0.914 13.153 ( 1.557 0.633 0.436) 1.737 13.569 ( 1.584 -3.233 -1.215) 3.799 13.642 ( 0.913 -1.635 0.195) 1.883 13.830 ( -1.089 0.688 0.349) 1.334 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 4.318 -0.670 -1.861) 4.750 0.916 ( 2.140 0.125 3.936) 4.482 0.975 ( 2.397 -6.709 -1.375) 7.256 1.056 ( 2.580 -0.958 -0.361) 2.776 1.256 ( 3.531 2.513 2.069) 4.803 1.324 ( -6.609 -3.066 2.234) 7.620 1.421 ( -0.232 1.942 1.296) 2.346 1.626 ( 2.219 0.510 -1.117) 2.536 1.655 ( 0.406 -3.068 -0.182) 3.100 2.131 ( 4.997 -1.108 2.673) 5.775 2.165 ( 6.661 -4.400 2.224) 8.287 2.390 ( -1.534 0.999 -1.042) 2.106 2.496 ( -1.973 -2.832 3.360) 4.817 2.768 ( 15.898 -16.151 -5.868) 23.410 3.377 ( 2.388 -0.945 6.114) 6.632 3.580 ( 4.493 -1.946 -0.912) 4.981 3.664 ( 4.474 -3.776 -3.295) 6.718 3.964 ( 4.506 -4.297 0.691) 6.265 4.294 ( 1.696 -3.557 0.956) 4.055 4.435 ( -0.429 -0.074 -0.104) 0.448 4.771 ( -2.346 0.245 1.228) 2.659 5.624 ( -3.538 6.131 -4.617) 8.451 7.319 ( -5.187 5.606 0.915) 7.692 8.643 ( -1.035 1.334 -0.911) 1.919 8.878 ( -1.274 6.540 -0.625) 6.693 9.146 ( -2.673 -1.342 0.390) 3.016 9.610 ( -1.603 0.366 2.211) 2.756 9.848 ( -0.702 -1.602 0.436) 1.803 10.312 ( 4.630 -0.504 -1.439) 4.875 10.618 ( 2.633 -2.150 -0.189) 3.404 12.643 ( 0.154 -1.008 0.281) 1.058 12.823 ( -0.444 0.114 0.536) 0.705 13.178 ( 1.764 -0.398 0.163) 1.816 13.598 ( 0.115 -0.594 -0.660) 0.896 13.696 ( 1.525 -2.844 -0.118) 3.229 13.810 ( -0.724 0.331 0.172) 0.814 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.819 0.539 -0.752) 1.236 0.866 ( -1.694 1.872 0.593) 2.593 1.085 ( 0.441 -2.289 0.333) 2.355 1.147 ( 5.016 -3.339 -0.813) 6.081 1.261 ( -0.120 1.909 1.721) 2.573 1.275 ( -3.368 -2.229 0.758) 4.109 1.397 ( 0.726 3.082 0.082) 3.168 1.642 ( 0.559 -0.085 -0.205) 0.602 1.689 ( 0.082 -1.490 0.072) 1.494 2.188 ( 1.677 -0.432 0.674) 1.858 2.275 ( 2.535 -1.465 1.360) 3.228 2.362 ( -0.516 0.676 -0.872) 1.218 2.513 ( -0.502 -1.426 1.384) 2.049 3.079 ( 6.587 -6.726 -2.531) 9.748 3.408 ( 0.052 -0.319 2.807) 2.825 3.645 ( 1.856 -0.883 -0.582) 2.136 3.741 ( 2.017 -1.332 -1.335) 2.761 4.055 ( 2.085 -1.682 0.251) 2.691 4.353 ( 1.142 -1.837 0.349) 2.191 4.424 ( -0.829 0.127 0.020) 0.839 4.754 ( -0.596 -0.210 0.829) 1.042 5.515 ( -1.696 2.877 -2.187) 3.992 7.209 ( -2.330 2.476 0.516) 3.439 8.635 ( 0.211 -0.650 -0.671) 0.958 8.782 ( -1.458 3.852 -0.055) 4.119 9.135 ( -0.804 -0.484 0.282) 0.980 9.599 ( -0.387 -0.008 0.869) 0.951 9.857 ( -0.249 -0.626 0.197) 0.702 10.360 ( 1.710 -0.228 -0.631) 1.837 10.663 ( 0.974 -0.799 -0.048) 1.261 12.655 ( 0.085 -0.431 0.114) 0.454 12.816 ( -0.238 0.143 0.170) 0.325 13.203 ( 0.768 -0.309 0.063) 0.830 13.600 ( -0.037 -0.090 -0.195) 0.218 13.733 ( 0.338 -0.808 0.012) 0.876 13.806 ( -0.005 -0.225 -0.057) 0.232 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 14.890 -0.000 8.042) 16.923 0.684 ( 21.079 -0.000 -5.037) 21.672 0.969 ( 21.820 -0.000 -2.791) 21.998 0.971 ( 4.161 -0.000 -0.789) 4.235 1.040 ( 5.210 -0.000 -0.047) 5.210 1.356 ( -2.922 0.000 2.509) 3.852 1.537 ( 14.350 -0.000 -2.686) 14.599 1.578 ( -2.678 0.000 1.073) 2.885 1.581 ( 1.265 -0.000 0.385) 1.322 1.628 ( 4.443 -0.000 -3.467) 5.635 2.060 ( 2.721 -0.000 8.126) 8.570 2.223 ( 6.570 -0.000 -0.238) 6.575 2.451 ( -0.913 0.000 -0.818) 1.226 2.473 ( -5.654 0.000 6.212) 8.400 3.374 ( 0.334 -0.000 10.010) 10.016 3.422 ( 8.066 -0.000 -2.251) 8.374 3.479 ( 9.196 -0.000 0.082) 9.196 3.779 ( 3.986 -0.000 1.399) 4.225 4.157 ( 2.402 -0.000 -0.330) 2.425 4.439 ( 0.206 -0.000 -1.239) 1.256 4.827 ( -4.299 0.000 1.298) 4.491 5.839 ( -3.922 0.000 -4.803) 6.201 7.536 ( -5.180 0.000 -0.357) 5.193 8.744 ( -4.253 0.000 -0.047) 4.253 9.067 ( -0.435 0.000 0.894) 0.995 9.094 ( -0.721 0.000 -1.777) 1.917 9.697 ( -5.036 0.000 -0.017) 5.036 9.794 ( -2.315 0.000 2.516) 3.419 10.232 ( 8.253 -0.000 -2.664) 8.672 10.502 ( 3.404 -0.000 0.091) 3.405 12.614 ( 0.322 -0.000 0.416) 0.525 12.819 ( 0.630 -0.000 1.276) 1.423 13.168 ( -0.220 0.000 0.918) 0.944 13.514 ( 4.135 -0.000 -1.503) 4.400 13.629 ( 0.505 -0.000 0.284) 0.579 13.839 ( -1.397 0.000 0.664) 1.547 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 10.006 -4.633 4.198) 11.799 0.862 ( 16.756 8.124 -3.900) 19.025 0.977 ( -2.941 0.541 2.704) 4.032 1.039 ( 5.393 -0.172 -2.280) 5.857 1.286 ( 3.065 3.457 0.993) 4.726 1.326 ( 7.712 0.909 -0.559) 7.785 1.484 ( 0.431 5.476 1.486) 5.690 1.615 ( 3.030 -0.493 0.791) 3.170 1.688 ( 7.358 2.838 -5.098) 9.391 1.948 ( 18.661 -13.528 -1.371) 23.089 2.115 ( 2.531 -0.639 3.419) 4.302 2.336 ( 3.341 -5.439 -1.439) 6.544 2.427 ( -4.486 -3.264 6.683) 8.686 2.468 ( 5.648 -1.627 -0.086) 5.878 3.390 ( 1.927 1.559 8.664) 9.012 3.558 ( 8.422 -1.582 -0.840) 8.610 3.608 ( 9.192 0.683 -1.196) 9.295 3.877 ( 6.846 -2.418 1.468) 7.408 4.209 ( 2.461 -2.435 -0.921) 3.582 4.435 ( -0.448 0.058 -0.170) 0.482 4.767 ( -4.391 -0.329 1.402) 4.621 5.740 ( -5.753 2.557 -6.201) 8.837 7.430 ( -6.981 2.577 -0.275) 7.447 8.664 ( -6.003 0.448 0.940) 6.093 9.014 ( -2.396 3.775 -0.368) 4.486 9.103 ( -0.919 -1.909 -2.418) 3.215 9.641 ( -1.230 1.779 1.802) 2.816 9.781 ( -2.821 -2.830 2.632) 4.785 10.328 ( 6.860 1.058 -2.422) 7.352 10.564 ( 3.441 -1.643 0.031) 3.814 12.626 ( 0.818 -0.359 0.511) 1.029 12.831 ( 0.700 0.339 1.476) 1.668 13.168 ( 0.272 -0.236 -0.234) 0.430 13.575 ( 2.843 -0.834 -1.767) 3.450 13.653 ( 2.943 -0.613 0.589) 3.063 13.818 ( -1.592 0.194 1.000) 1.891 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -3.725 -1.330 -0.228) 3.961 0.959 ( 12.109 7.997 -2.159) 14.671 0.978 ( 6.268 -0.756 2.874) 6.937 1.116 ( 5.900 -0.628 -3.784) 7.037 1.225 ( -1.675 4.171 2.890) 5.344 1.361 ( 4.351 5.513 -0.011) 7.023 1.479 ( 3.069 3.375 -1.219) 4.722 1.683 ( 5.935 0.834 1.523) 6.184 1.714 ( 5.388 4.890 -3.573) 8.106 2.155 ( 0.499 -1.994 0.706) 2.174 2.223 ( 6.794 -2.239 1.926) 7.408 2.364 ( -1.725 -0.544 2.812) 3.343 2.459 ( 1.046 -2.840 3.514) 4.638 2.772 ( 14.708 -15.745 -4.539) 22.019 3.416 ( 1.113 0.893 7.325) 7.463 3.665 ( 6.766 1.722 0.313) 6.989 3.725 ( 8.078 0.286 -1.993) 8.325 4.017 ( 7.598 -1.595 1.591) 7.925 4.273 ( 1.292 -3.498 0.185) 3.733 4.425 ( -0.573 0.038 -0.604) 0.833 4.729 ( -2.702 -1.417 1.567) 3.430 5.600 ( -6.362 3.096 -6.101) 9.342 7.289 ( -6.844 3.203 -0.102) 7.557 8.588 ( -5.780 -1.953 0.898) 6.167 8.903 ( -5.313 4.429 -0.119) 6.918 9.114 ( 0.878 -1.039 -3.441) 3.700 9.621 ( 0.446 1.816 3.288) 3.783 9.796 ( -1.761 -3.714 1.895) 4.526 10.386 ( 4.552 1.833 -2.030) 5.311 10.629 ( 2.294 -1.737 -0.101) 2.879 12.646 ( 1.246 -0.259 0.472) 1.358 12.834 ( 0.651 1.077 1.197) 1.737 13.181 ( 0.280 -1.117 -0.566) 1.283 13.598 ( 0.632 -0.092 -0.771) 1.001 13.721 ( 4.453 -0.148 0.219) 4.461 13.800 ( -0.852 -0.191 1.000) 1.327 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -3.147 0.253 -0.537) 3.202 0.985 ( 9.062 10.723 0.164) 14.040 1.082 ( 5.062 -0.208 0.215) 5.071 1.150 ( -2.234 1.823 0.518) 2.929 1.222 ( 4.415 -3.718 -2.729) 6.384 1.373 ( 9.291 8.152 -2.351) 12.583 1.423 ( -2.656 4.773 -0.674) 5.503 1.708 ( 4.371 4.721 -2.239) 6.813 1.759 ( 6.220 3.340 1.150) 7.153 2.169 ( -2.030 -1.845 -1.263) 3.020 2.290 ( 0.910 -0.392 0.386) 1.063 2.347 ( -1.845 -0.009 3.738) 4.168 2.521 ( 2.661 -0.739 2.317) 3.605 3.074 ( 5.752 -7.014 -1.831) 9.254 3.429 ( 0.932 1.238 3.087) 3.454 3.710 ( 4.120 3.813 1.000) 5.702 3.796 ( 4.671 2.867 -0.454) 5.500 4.102 ( 3.456 1.966 1.977) 4.441 4.334 ( 0.918 -3.311 -0.086) 3.437 4.422 ( 0.599 0.068 -1.094) 1.249 4.731 ( -0.987 -1.990 1.491) 2.676 5.481 ( -4.759 0.215 -3.649) 6.001 7.184 ( -3.731 0.448 -0.595) 3.804 8.560 ( -4.906 -5.068 0.846) 7.104 8.781 ( -4.712 2.473 0.805) 5.383 9.137 ( 2.389 -0.230 -4.252) 4.883 9.615 ( 0.159 1.068 2.988) 3.177 9.826 ( -0.471 -2.659 1.238) 2.970 10.400 ( 1.665 2.541 -1.074) 3.222 10.665 ( 0.546 -0.668 -0.182) 0.882 12.665 ( 1.326 0.357 0.312) 1.408 12.832 ( 0.920 1.298 0.793) 1.778 13.192 ( -0.682 -1.010 -0.656) 1.384 13.603 ( 0.356 0.110 -0.171) 0.410 13.758 ( 1.639 1.021 0.611) 2.025 13.812 ( 1.722 0.264 0.589) 1.839 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.865 -3.082 -0.823) 3.306 0.955 ( 7.096 12.752 1.752) 14.698 1.066 ( -3.804 1.697 1.028) 4.291 1.164 ( 3.258 -1.285 -3.986) 5.306 1.266 ( -2.829 8.794 0.937) 9.285 1.328 ( 4.618 -0.873 -2.997) 5.574 1.433 ( 10.457 5.172 -4.964) 12.678 1.698 ( 3.388 5.126 -2.001) 6.462 1.774 ( 3.542 5.836 1.291) 6.948 2.134 ( -4.715 -0.774 -2.186) 5.255 2.252 ( -3.965 2.628 0.090) 4.758 2.353 ( 0.159 -1.422 2.545) 2.920 2.552 ( 1.992 1.313 0.444) 2.427 3.070 ( -7.022 6.403 3.006) 9.967 3.420 ( 0.090 2.025 -2.009) 2.854 3.685 ( 0.635 6.023 1.836) 6.329 3.783 ( 1.181 5.698 1.649) 6.049 4.079 ( -0.833 4.442 0.959) 4.621 4.360 ( 0.425 1.116 -0.696) 1.382 4.433 ( 0.776 -0.271 -0.637) 1.040 4.749 ( 0.099 -1.600 -0.070) 1.605 5.467 ( -1.279 -5.467 0.583) 5.645 7.185 ( 0.767 -4.326 -1.466) 4.632 8.565 ( -4.756 -5.683 1.407) 7.543 8.740 ( -1.290 -2.957 1.182) 3.436 9.168 ( 3.727 0.483 -4.487) 5.852 9.612 ( -0.251 0.074 1.801) 1.820 9.850 ( 0.258 -1.051 0.492) 1.189 10.364 ( -1.173 3.352 0.184) 3.556 10.658 ( -1.170 0.892 -0.149) 1.479 12.673 ( 1.010 1.233 0.087) 1.596 12.834 ( 1.342 1.074 0.460) 1.780 13.180 ( -1.929 -0.270 -0.703) 2.071 13.606 ( 0.356 0.188 0.153) 0.430 13.765 ( 1.400 1.303 0.289) 1.934 13.819 ( 0.980 1.995 0.842) 2.377 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.492 11.901 1.938) 12.068 0.882 ( 1.760 -1.930 0.596) 2.680 0.979 ( -1.994 6.429 -4.438) 8.063 1.108 ( -4.657 4.425 2.374) 6.849 1.219 ( 8.547 5.428 -4.946) 11.268 1.384 ( 1.616 -0.876 -0.851) 2.026 1.533 ( 13.490 4.189 -6.506) 15.551 1.653 ( 0.455 6.590 -0.944) 6.673 1.728 ( 1.581 6.488 1.029) 6.757 2.049 ( -6.529 0.821 -2.632) 7.087 2.130 ( -5.685 4.615 -0.943) 7.383 2.384 ( 0.343 -1.932 1.452) 2.441 2.557 ( 2.048 2.024 -0.614) 2.944 2.754 ( -16.526 16.647 6.375) 24.308 3.353 ( -3.590 4.361 -3.565) 6.680 3.600 ( -0.857 6.432 0.956) 6.559 3.706 ( -0.746 7.234 3.144) 7.923 3.988 ( -1.880 6.321 -0.399) 6.607 4.322 ( -0.320 4.036 -1.453) 4.301 4.435 ( -0.597 0.222 0.389) 0.746 4.781 ( 1.513 -2.102 -0.685) 2.679 5.567 ( 0.967 -8.973 2.776) 9.443 7.291 ( 3.142 -7.551 -1.538) 8.322 8.584 ( -2.831 -6.016 1.455) 6.806 8.802 ( -0.058 -6.413 1.042) 6.497 9.212 ( 4.703 0.957 -3.232) 5.786 9.619 ( 0.080 -1.436 0.276) 1.464 9.860 ( 0.419 0.268 -0.052) 0.500 10.288 ( -2.971 3.976 0.891) 5.043 10.612 ( -2.281 2.400 0.054) 3.312 12.664 ( 0.569 1.804 -0.081) 1.893 12.842 ( 1.358 1.046 0.136) 1.720 13.147 ( -2.463 0.069 -0.629) 2.543 13.608 ( 0.281 0.402 0.307) 0.579 13.747 ( 1.004 5.221 0.166) 5.319 13.811 ( 0.136 -0.298 0.632) 0.712 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -3.416 13.777 0.677) 14.210 0.814 ( 1.473 15.113 -4.347) 15.795 0.908 ( 0.351 0.241 -1.015) 1.101 1.044 ( -1.904 2.307 2.014) 3.607 1.227 ( 6.576 11.424 -3.117) 13.545 1.397 ( 1.478 1.429 -1.187) 2.374 1.531 ( -5.902 5.924 1.580) 8.510 1.626 ( 6.667 6.497 -3.933) 10.106 1.689 ( 2.659 5.288 1.339) 6.069 1.921 ( -1.680 4.227 -5.819) 7.386 2.017 ( -2.978 2.666 -0.884) 4.093 2.279 ( -17.289 13.804 7.081) 23.230 2.432 ( -0.383 -1.014 0.301) 1.125 2.561 ( 1.901 1.576 -0.781) 2.590 3.195 ( -6.467 7.197 -1.885) 9.858 3.505 ( -1.333 7.150 -0.176) 7.275 3.621 ( 0.318 5.138 1.788) 5.449 3.882 ( -1.039 6.581 -0.532) 6.684 4.259 ( -0.011 4.440 -1.945) 4.847 4.415 ( -1.679 0.516 1.240) 2.150 4.837 ( 1.901 -2.654 -0.361) 3.284 5.705 ( 1.081 -8.927 2.114) 9.237 7.431 ( 2.392 -7.816 -0.682) 8.202 8.644 ( -0.688 -6.551 0.829) 6.639 8.882 ( -0.208 -6.112 0.241) 6.121 9.249 ( 3.314 2.113 -0.822) 4.015 9.662 ( 1.540 -3.968 -0.798) 4.331 9.856 ( 0.142 0.850 -0.016) 0.862 10.192 ( -3.105 4.430 0.742) 5.461 10.543 ( -2.018 3.227 0.173) 3.810 12.646 ( 0.206 1.797 -0.109) 1.812 12.842 ( 0.668 1.414 -0.138) 1.570 13.117 ( -1.666 -0.583 -0.437) 1.818 13.600 ( 0.033 1.851 0.365) 1.887 13.676 ( -0.206 5.700 0.142) 5.706 13.829 ( 0.426 -1.187 0.076) 1.263 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -0.000 16.491 -0.000) 16.491 0.634 ( -0.000 19.546 -0.000) 19.546 0.849 ( -0.000 26.513 -0.000) 26.513 0.908 ( 0.000 -0.105 0.000) 0.105 1.117 ( -0.000 6.049 -0.000) 6.049 1.353 ( -0.000 5.580 -0.000) 5.580 1.457 ( 0.000 -1.564 0.000) 1.564 1.560 ( -0.000 7.695 -0.000) 7.695 1.619 ( -0.000 4.677 -0.000) 4.677 1.914 ( -0.000 11.714 -0.000) 11.714 1.954 ( 0.000 -0.463 0.000) 0.463 2.041 ( 0.000 -2.749 0.000) 2.749 2.455 ( 0.000 -1.885 0.000) 1.885 2.561 ( -0.000 0.893 -0.000) 0.893 3.030 ( -0.000 7.957 -0.000) 7.957 3.398 ( -0.000 6.729 -0.000) 6.729 3.590 ( -0.000 2.030 -0.000) 2.030 3.798 ( -0.000 5.244 -0.000) 5.244 4.209 ( -0.000 3.173 -0.000) 3.173 4.392 ( -0.000 0.673 -0.000) 0.673 4.886 ( 0.000 -2.332 0.000) 2.332 5.817 ( 0.000 -6.711 0.000) 6.711 7.537 ( 0.000 -6.058 0.000) 6.058 8.717 ( 0.000 -5.036 0.000) 5.036 8.953 ( 0.000 -5.558 0.000) 5.558 9.237 ( -0.000 3.494 -0.000) 3.494 9.741 ( 0.000 -5.129 0.000) 5.129 9.848 ( -0.000 0.501 -0.000) 0.501 10.107 ( -0.000 4.525 -0.000) 4.525 10.487 ( -0.000 2.932 -0.000) 2.932 12.627 ( -0.000 1.317 -0.000) 1.317 12.827 ( -0.000 1.401 -0.000) 1.401 13.117 ( 0.000 -1.360 0.000) 1.360 13.547 ( -0.000 5.768 -0.000) 5.768 13.633 ( -0.000 1.165 -0.000) 1.165 13.847 ( 0.000 -0.983 0.000) 0.983 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.479 -0.000 1.825) 1.887 0.983 ( 3.473 -0.000 3.282) 4.778 0.993 ( 2.278 -0.000 0.174) 2.285 1.113 ( 5.330 -0.000 -4.788) 7.165 1.315 ( -1.988 0.000 4.230) 4.673 1.457 ( 4.903 -0.000 -3.339) 5.932 1.626 ( 8.576 -0.000 0.758) 8.609 1.691 ( 7.684 -0.000 2.153) 7.980 1.844 ( 10.833 -0.000 -6.534) 12.651 2.116 ( 0.053 -0.000 1.953) 1.954 2.196 ( 27.150 -0.000 -6.573) 27.934 2.315 ( 0.421 -0.000 -1.874) 1.921 2.366 ( -2.854 0.000 9.123) 9.559 2.535 ( 5.740 -0.000 1.872) 6.037 3.434 ( 0.833 -0.000 9.059) 9.097 3.677 ( 9.423 -0.000 -0.043) 9.423 3.759 ( 9.862 -0.000 -0.352) 9.869 3.980 ( 9.201 -0.000 2.212) 9.464 4.225 ( 1.981 -0.000 -1.198) 2.315 4.426 ( -0.540 0.000 -0.618) 0.820 4.706 ( -3.888 0.000 1.485) 4.162 5.642 ( -7.849 0.000 -7.227) 10.669 7.336 ( -8.193 0.000 -0.660) 8.219 8.561 ( -8.632 0.000 2.234) 8.916 8.966 ( -7.026 0.000 -0.302) 7.033 9.096 ( 2.272 -0.000 -5.168) 5.646 9.677 ( 3.221 -0.000 1.408) 3.515 9.711 ( -4.695 0.000 5.223) 7.024 10.419 ( 5.432 -0.000 -3.001) 6.206 10.599 ( 2.768 -0.000 0.334) 2.789 12.643 ( 1.674 -0.000 0.606) 1.780 12.852 ( 1.130 -0.000 1.753) 2.085 13.164 ( -0.118 0.000 -0.895) 0.903 13.597 ( 1.106 -0.000 -1.099) 1.559 13.720 ( 6.442 -0.000 0.224) 6.446 13.797 ( -1.703 0.000 1.567) 2.314 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -5.364 -1.150 1.729) 5.752 1.013 ( -0.527 -1.522 0.408) 1.662 1.062 ( 5.645 0.141 0.316) 5.655 1.169 ( 3.704 -0.756 -5.606) 6.762 1.288 ( -0.576 2.544 6.187) 6.714 1.459 ( -1.202 1.365 -1.994) 2.699 1.712 ( 11.605 7.385 -0.635) 13.770 1.818 ( 8.890 0.922 1.948) 9.148 1.909 ( 10.997 11.442 -6.014) 16.971 2.109 ( -2.003 -2.502 -0.439) 3.235 2.294 ( 2.078 1.903 -0.903) 2.959 2.359 ( -0.937 0.301 6.211) 6.288 2.510 ( 8.873 1.961 1.542) 9.217 2.769 ( 14.473 -15.226 -3.699) 21.330 3.460 ( 0.975 0.875 7.563) 7.676 3.795 ( 7.796 1.926 1.039) 8.097 3.872 ( 8.975 2.842 -0.635) 9.436 4.131 ( 9.170 -0.523 2.881) 9.626 4.246 ( -0.346 -1.849 0.097) 1.884 4.424 ( 0.858 0.060 -1.639) 1.851 4.675 ( -2.207 -1.692 1.734) 3.277 5.501 ( -8.618 0.705 -6.989) 11.119 7.211 ( -7.595 1.004 -0.758) 7.699 8.454 ( -8.669 -2.542 2.235) 9.307 8.841 ( -8.345 1.589 -0.119) 8.496 9.129 ( 3.757 -0.264 -6.711) 7.695 9.644 ( -3.749 0.990 5.946) 7.099 9.756 ( 3.090 -2.126 2.013) 4.256 10.463 ( 3.378 1.866 -2.799) 4.768 10.638 ( 1.505 -1.034 0.195) 1.836 12.672 ( 2.231 0.141 0.578) 2.309 12.866 ( 1.215 0.999 1.537) 2.200 13.165 ( -0.280 -0.832 -1.084) 1.395 13.605 ( 0.519 0.058 -0.369) 0.639 13.776 ( -0.768 0.378 1.672) 1.878 13.818 ( 6.272 0.197 0.181) 6.278 ======================= Grid point 22 (16/160) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -4.864 -2.357 1.015) 5.499 1.021 ( -0.746 -1.217 -0.335) 1.466 1.112 ( 1.293 0.320 -1.787) 2.228 1.210 ( 1.346 -0.586 -0.006) 1.468 1.268 ( 1.316 3.285 2.720) 4.463 1.412 ( -1.631 0.711 -1.184) 2.137 1.779 ( 13.416 9.550 -2.268) 16.624 1.878 ( 9.599 12.635 -5.052) 16.653 1.907 ( 7.262 4.893 1.487) 8.882 2.103 ( -1.997 -0.928 -3.156) 3.848 2.296 ( -0.295 0.760 0.466) 0.939 2.346 ( -0.568 1.288 4.167) 4.398 2.569 ( 2.988 0.974 2.756) 4.180 3.072 ( 7.073 -5.776 -1.832) 9.314 3.469 ( 0.786 1.747 3.449) 3.945 3.843 ( 5.214 5.591 1.791) 7.852 3.932 ( 6.275 5.441 -0.297) 8.311 4.175 ( -0.241 2.977 2.542) 3.922 4.325 ( 5.092 -3.380 0.507) 6.133 4.437 ( 1.623 0.583 -1.675) 2.404 4.691 ( -0.580 -2.746 1.952) 3.419 5.375 ( -7.149 -1.828 -4.800) 8.803 7.118 ( -4.503 -1.136 -1.119) 4.777 8.399 ( -7.304 -5.972 1.834) 9.611 8.717 ( -6.631 0.187 0.568) 6.658 9.175 ( 4.744 0.094 -7.567) 8.931 9.599 ( -4.456 -0.978 6.220) 7.713 9.824 ( 3.328 -0.659 1.464) 3.695 10.456 ( 1.126 3.425 -1.718) 3.994 10.661 ( 0.126 -0.575 -0.166) 0.612 12.700 ( 2.162 0.801 0.433) 2.346 12.871 ( 1.410 1.534 1.127) 2.369 13.165 ( -0.965 -0.779 -1.034) 1.615 13.610 ( 0.415 0.134 0.038) 0.437 13.769 ( -0.503 -0.216 1.487) 1.584 13.887 ( 5.219 2.354 0.308) 5.733 ======================= Grid point 23 (17/160) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -2.161 -5.637 0.631) 6.070 1.024 ( -0.065 -0.246 -2.237) 2.252 1.076 ( -2.213 3.224 0.545) 3.948 1.182 ( -2.995 4.491 3.804) 6.604 1.277 ( 1.769 -2.027 -1.974) 3.337 1.418 ( 3.284 0.247 -1.685) 3.699 1.825 ( 4.203 6.060 -2.934) 7.937 1.851 ( 17.102 16.733 -4.619) 24.368 1.914 ( 4.701 7.417 1.010) 8.839 2.060 ( -1.932 1.776 -4.360) 5.089 2.241 ( -3.348 3.954 1.968) 5.542 2.350 ( 0.486 -0.517 1.966) 2.090 2.589 ( 0.668 0.708 1.564) 1.842 3.076 ( -4.560 7.965 2.423) 9.492 3.447 ( -0.283 3.007 -0.684) 3.097 3.805 ( 1.652 8.867 2.011) 9.241 3.907 ( 2.662 8.060 1.078) 8.556 4.126 ( -0.710 3.973 0.562) 4.074 4.405 ( 3.291 1.327 1.013) 3.691 4.438 ( 0.424 0.796 -1.537) 1.782 4.724 ( 0.186 -2.333 0.557) 2.406 5.350 ( -3.396 -7.409 -0.937) 8.204 7.121 ( -0.522 -5.410 -1.560) 5.654 8.400 ( -5.734 -7.897 1.597) 9.889 8.672 ( -2.824 -3.684 0.920) 4.732 9.227 ( 5.377 0.404 -7.206) 9.001 9.569 ( -4.582 -2.397 5.377) 7.460 9.870 ( 2.633 0.568 0.585) 2.756 10.405 ( -0.635 4.742 -0.426) 4.803 10.653 ( -0.941 0.797 -0.279) 1.264 12.711 ( 1.483 1.713 0.207) 2.276 12.875 ( 1.639 1.481 0.780) 2.343 13.149 ( -1.732 -0.004 -0.913) 1.958 13.614 ( 0.344 0.172 0.191) 0.429 13.775 ( 0.092 -0.766 0.892) 1.180 13.902 ( 3.047 4.803 0.493) 5.709 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -1.652 -5.477 0.630) 5.755 0.950 ( -2.844 7.238 0.088) 7.777 1.044 ( 1.411 2.524 -4.005) 4.940 1.083 ( -3.295 2.765 4.712) 6.380 1.337 ( 2.637 -2.686 -1.965) 4.246 1.467 ( 4.395 0.719 -1.298) 4.639 1.741 ( 0.510 11.049 -1.182) 11.124 1.852 ( 3.370 7.286 0.433) 8.039 1.906 ( 10.537 11.141 -2.438) 15.527 1.996 ( 2.634 6.234 -6.124) 9.127 2.127 ( -3.518 5.833 0.621) 6.840 2.373 ( 0.734 -1.089 1.240) 1.807 2.570 ( -3.568 1.328 1.862) 4.238 2.791 ( -9.466 18.354 3.817) 21.001 3.375 ( -1.770 5.810 -1.473) 6.250 3.699 ( 0.034 8.943 0.902) 8.988 3.821 ( 0.598 9.557 1.578) 9.705 4.054 ( -0.330 6.240 -0.416) 6.262 4.385 ( 1.085 5.299 -1.003) 5.501 4.431 ( -0.705 0.497 0.649) 1.079 4.762 ( 0.678 -2.897 -0.194) 2.982 5.446 ( -0.540 -10.969 0.940) 11.022 7.216 ( 1.166 -8.479 -1.143) 8.635 8.445 ( -2.944 -8.762 0.996) 9.297 8.720 ( -0.436 -6.397 0.694) 6.449 9.281 ( 4.457 0.691 -4.319) 6.244 9.560 ( -3.249 -4.017 2.939) 5.944 9.886 ( 1.397 1.433 -0.083) 2.003 10.324 ( -1.126 5.651 0.240) 5.767 10.617 ( -1.165 2.320 -0.097) 2.598 12.700 ( 0.632 2.313 0.032) 2.398 12.880 ( 1.247 1.502 0.395) 1.992 13.118 ( -1.598 0.480 -0.581) 1.767 13.616 ( 0.192 0.235 0.155) 0.341 13.792 ( 0.443 -1.109 0.189) 1.209 13.857 ( 0.896 6.774 0.508) 6.852 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.000 10.046 -0.000) 10.046 0.833 ( 0.000 -0.648 0.000) 0.648 0.979 ( -0.000 5.371 -0.000) 5.371 1.066 ( -0.000 1.041 -0.000) 1.041 1.393 ( 0.000 -2.869 0.000) 2.869 1.504 ( -0.000 2.054 -0.000) 2.054 1.550 ( -0.000 17.256 -0.000) 17.256 1.787 ( -0.000 7.857 -0.000) 7.857 1.832 ( -0.000 11.890 -0.000) 11.890 1.959 ( -0.000 4.255 -0.000) 4.255 2.041 ( -0.000 3.232 -0.000) 3.232 2.337 ( -0.000 19.076 -0.000) 19.076 2.406 ( 0.000 -1.693 0.000) 1.693 2.606 ( -0.000 4.095 -0.000) 4.095 3.259 ( -0.000 8.914 -0.000) 8.914 3.597 ( -0.000 7.809 -0.000) 7.809 3.707 ( -0.000 8.311 -0.000) 8.311 3.964 ( -0.000 7.214 -0.000) 7.214 4.321 ( -0.000 5.447 -0.000) 5.447 4.414 ( -0.000 0.964 -0.000) 0.964 4.809 ( 0.000 -3.411 0.000) 3.411 5.587 ( 0.000 -10.974 0.000) 10.974 7.338 ( 0.000 -9.045 0.000) 9.045 8.538 ( 0.000 -8.692 0.000) 8.692 8.802 ( 0.000 -6.480 0.000) 6.480 9.297 ( -0.000 1.416 -0.000) 1.416 9.602 ( 0.000 -5.505 0.000) 5.505 9.875 ( -0.000 1.615 -0.000) 1.615 10.241 ( -0.000 5.880 -0.000) 5.880 10.571 ( -0.000 3.261 -0.000) 3.261 12.674 ( -0.000 2.310 -0.000) 2.310 12.869 ( -0.000 1.753 -0.000) 1.753 13.100 ( -0.000 0.092 -0.000) 0.092 13.613 ( -0.000 0.462 -0.000) 0.462 13.767 ( -0.000 7.814 -0.000) 7.814 13.814 ( 0.000 -1.466 0.000) 1.466 ======================= Grid point 30 (20/160) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -6.314 0.000 1.954) 6.609 0.997 ( -0.056 0.000 -0.353) 0.358 1.142 ( 4.824 -0.000 -0.675) 4.871 1.171 ( -0.711 0.000 -2.865) 2.952 1.327 ( 2.046 -0.000 4.027) 4.517 1.414 ( -4.916 0.000 -0.808) 4.981 1.867 ( 7.016 -0.000 -1.444) 7.163 1.949 ( 7.225 -0.000 2.611) 7.682 2.043 ( -2.404 0.000 -1.422) 2.793 2.162 ( 11.325 -0.000 -2.801) 11.667 2.329 ( 1.800 -0.000 -2.017) 2.704 2.355 ( -0.946 0.000 5.613) 5.692 2.647 ( 0.719 -0.000 2.450) 2.553 2.901 ( 22.008 -0.000 -6.263) 22.882 3.494 ( 0.809 -0.000 6.461) 6.512 3.922 ( 7.228 -0.000 1.128) 7.315 4.014 ( 7.918 -0.000 -0.199) 7.921 4.211 ( -2.777 0.000 1.244) 3.043 4.267 ( 8.599 -0.000 2.903) 9.075 4.447 ( 2.915 -0.000 -1.997) 3.533 4.645 ( -0.764 0.000 2.076) 2.212 5.357 ( -9.500 0.000 -6.928) 11.758 7.108 ( -6.875 0.000 -0.880) 6.931 8.316 ( -8.396 0.000 2.227) 8.687 8.723 ( -8.917 0.000 -0.095) 8.918 9.176 ( 5.212 -0.000 -8.673) 10.118 9.582 ( -6.245 0.000 7.888) 10.061 9.817 ( 4.928 -0.000 2.142) 5.373 10.508 ( 1.971 -0.000 -3.162) 3.726 10.647 ( 0.546 -0.000 0.441) 0.702 12.710 ( 2.626 -0.000 0.571) 2.687 12.894 ( 1.202 -0.000 1.406) 1.850 13.153 ( -0.317 0.000 -1.166) 1.208 13.612 ( 0.429 -0.000 0.001) 0.429 13.765 ( -1.035 0.000 1.908) 2.171 13.918 ( 6.546 -0.000 0.120) 6.547 ======================= Grid point 31 (21/160) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -5.576 -2.299 1.310) 6.172 1.007 ( 1.014 -0.574 -1.250) 1.709 1.128 ( -1.640 1.864 0.094) 2.485 1.214 ( 2.412 -2.028 -0.707) 3.230 1.305 ( -3.514 3.682 1.327) 5.260 1.387 ( 0.488 -2.141 0.105) 2.198 1.931 ( 4.600 2.516 -2.208) 5.689 1.980 ( -2.233 -0.568 1.066) 2.539 2.054 ( 5.258 3.035 -0.862) 6.132 2.267 ( 9.439 4.429 -1.342) 10.512 2.317 ( 0.817 3.729 1.200) 4.002 2.372 ( 1.615 1.127 0.324) 1.995 2.623 ( -0.640 2.543 2.229) 3.442 3.163 ( 12.125 0.110 -3.597) 12.648 3.506 ( 0.439 1.437 3.317) 3.641 3.986 ( 4.902 4.362 1.351) 6.699 4.077 ( 4.162 4.705 -0.086) 6.282 4.172 ( -1.941 -0.189 0.953) 2.171 4.380 ( 4.556 -1.338 2.502) 5.367 4.487 ( 4.089 1.554 -1.424) 4.600 4.666 ( 0.961 -1.885 2.296) 3.122 5.226 ( -8.083 -2.325 -5.238) 9.908 7.033 ( -4.263 -1.619 -0.898) 4.648 8.240 ( -6.213 -3.758 1.624) 7.440 8.613 ( -6.739 -1.117 0.201) 6.834 9.233 ( 5.776 0.100 -9.478) 11.100 9.518 ( -6.290 -1.209 8.555) 10.687 9.883 ( 3.749 0.333 1.758) 4.154 10.503 ( 0.591 2.542 -2.184) 3.403 10.654 ( -0.164 -0.456 0.107) 0.496 12.743 ( 2.195 0.687 0.434) 2.340 12.907 ( 1.099 0.788 0.993) 1.677 13.146 ( -0.576 -0.122 -0.955) 1.122 13.617 ( 0.343 0.077 0.171) 0.391 13.760 ( -0.545 -0.335 1.489) 1.620 13.989 ( 4.711 1.851 0.200) 5.065 ======================= Grid point 32 (22/160) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -2.391 -6.084 0.545) 6.559 1.027 ( 1.352 0.286 -1.872) 2.327 1.080 ( -1.610 1.487 0.658) 2.288 1.200 ( -3.307 4.612 2.255) 6.106 1.270 ( 1.485 -2.358 -1.329) 3.087 1.427 ( 1.001 -2.240 -0.442) 2.492 1.925 ( 0.615 1.944 -2.490) 3.218 1.956 ( -0.758 2.607 1.338) 3.027 2.052 ( 2.947 6.239 -0.411) 6.912 2.266 ( -1.224 4.489 1.787) 4.985 2.334 ( 12.348 9.783 -4.011) 16.256 2.361 ( 0.369 1.465 0.400) 1.563 2.584 ( -2.973 0.507 1.883) 3.556 3.182 ( 1.642 11.469 0.066) 11.586 3.483 ( -0.125 3.090 0.277) 3.105 3.941 ( 0.632 9.022 1.167) 9.119 4.036 ( 1.482 6.553 0.609) 6.747 4.161 ( 0.403 1.919 -0.064) 1.962 4.431 ( 0.648 -0.520 0.864) 1.199 4.505 ( 2.965 3.770 -0.441) 4.816 4.707 ( 0.771 -1.457 0.863) 1.861 5.195 ( -3.648 -7.910 -1.717) 8.878 7.036 ( -1.089 -5.241 -0.808) 5.414 8.240 ( -3.499 -6.604 0.965) 7.536 8.579 ( -2.704 -4.329 0.306) 5.114 9.293 ( 5.383 0.267 -8.048) 9.686 9.474 ( -5.512 -2.504 7.259) 9.452 9.919 ( 2.020 0.986 0.760) 2.373 10.457 ( -0.213 4.461 -0.725) 4.525 10.651 ( -0.431 0.351 -0.153) 0.577 12.752 ( 1.111 1.639 0.190) 1.990 12.912 ( 0.927 0.957 0.559) 1.445 13.132 ( -0.779 0.505 -0.604) 1.107 13.620 ( 0.200 0.131 0.143) 0.279 13.765 ( -0.127 -0.838 0.726) 1.116 14.001 ( 2.223 4.192 0.194) 4.749 ======================= Grid point 33 (23/160) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 -6.822 0.000) 6.822 1.002 ( -0.000 3.929 -0.000) 3.929 1.071 ( 0.000 -0.227 0.000) 0.227 1.110 ( -0.000 5.595 -0.000) 5.595 1.315 ( 0.000 -3.018 0.000) 3.018 1.467 ( 0.000 -2.818 0.000) 2.818 1.873 ( -0.000 8.716 -0.000) 8.716 1.921 ( -0.000 0.033 -0.000) 0.033 1.984 ( -0.000 7.535 -0.000) 7.535 2.184 ( -0.000 6.504 -0.000) 6.504 2.274 ( -0.000 13.007 -0.000) 13.007 2.383 ( -0.000 0.289 -0.000) 0.289 2.543 ( -0.000 0.802 -0.000) 0.802 2.974 ( -0.000 19.291 -0.000) 19.291 3.431 ( -0.000 4.746 -0.000) 4.746 3.820 ( -0.000 10.031 -0.000) 10.031 3.950 ( -0.000 9.076 -0.000) 9.076 4.122 ( -0.000 4.590 -0.000) 4.590 4.433 ( -0.000 0.397 -0.000) 0.397 4.465 ( -0.000 5.465 -0.000) 5.465 4.734 ( 0.000 -2.183 0.000) 2.183 5.297 ( 0.000 -11.209 0.000) 11.209 7.116 ( 0.000 -7.906 0.000) 7.906 8.312 ( 0.000 -8.482 0.000) 8.482 8.634 ( 0.000 -6.418 0.000) 6.418 9.322 ( -0.000 0.745 -0.000) 0.745 9.478 ( 0.000 -4.081 0.000) 4.081 9.918 ( -0.000 1.524 -0.000) 1.524 10.389 ( -0.000 5.569 -0.000) 5.569 10.634 ( -0.000 1.568 -0.000) 1.568 12.735 ( -0.000 2.279 -0.000) 2.279 12.907 ( -0.000 1.188 -0.000) 1.188 13.115 ( -0.000 0.864 -0.000) 0.864 13.620 ( -0.000 0.177 -0.000) 0.177 13.779 ( 0.000 -1.243 0.000) 1.243 13.950 ( -0.000 6.174 -0.000) 6.174 ======================= Grid point 40 (24/160) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -4.257 0.000 0.816) 4.335 1.027 ( 2.487 -0.000 -1.904) 3.132 1.105 ( -3.190 0.000 1.878) 3.702 1.231 ( 1.606 -0.000 -0.109) 1.610 1.271 ( -3.453 0.000 -0.454) 3.483 1.389 ( 1.038 -0.000 0.596) 1.197 1.930 ( -2.411 0.000 -0.468) 2.456 2.004 ( 2.873 -0.000 -1.332) 3.167 2.141 ( 3.448 -0.000 -0.103) 3.449 2.324 ( 1.163 -0.000 0.502) 1.266 2.359 ( -0.197 0.000 2.426) 2.434 2.463 ( 6.828 -0.000 -1.785) 7.057 2.611 ( -3.444 0.000 1.443) 3.734 3.333 ( 8.976 -0.000 -2.914) 9.438 3.526 ( 0.187 -0.000 1.752) 1.762 4.078 ( 3.184 -0.000 0.662) 3.252 4.124 ( -2.508 0.000 0.646) 2.590 4.167 ( 2.413 -0.000 -0.140) 2.417 4.419 ( 1.648 -0.000 1.640) 2.325 4.557 ( 3.525 -0.000 -0.456) 3.554 4.685 ( 2.299 -0.000 2.191) 3.176 5.090 ( -6.228 0.000 -3.935) 7.367 6.969 ( -2.507 0.000 -0.449) 2.547 8.151 ( -3.256 0.000 0.844) 3.364 8.522 ( -4.232 0.000 0.095) 4.233 9.295 ( 5.746 -0.000 -9.811) 11.370 9.442 ( -6.016 0.000 9.324) 11.096 9.932 ( 2.120 -0.000 1.201) 2.436 10.522 ( 0.180 -0.000 -1.550) 1.561 10.648 ( -0.224 0.000 0.213) 0.309 12.774 ( 1.356 -0.000 0.275) 1.383 12.924 ( 0.540 -0.000 0.526) 0.754 13.139 ( -0.260 0.000 -0.541) 0.600 13.622 ( 0.194 -0.000 0.143) 0.241 13.754 ( -0.277 0.000 0.881) 0.924 14.055 ( 2.628 -0.000 0.117) 2.631 ======================= Grid point 42 (25/160) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 -4.371 0.000) 4.371 1.055 ( -0.000 0.890 -0.000) 0.890 1.066 ( 0.000 -0.077 0.000) 0.077 1.224 ( -0.000 2.767 -0.000) 2.767 1.254 ( 0.000 -1.475 0.000) 1.475 1.408 ( 0.000 -1.566 0.000) 1.566 1.913 ( 0.000 -0.302 0.000) 0.302 2.008 ( -0.000 2.452 -0.000) 2.452 2.141 ( -0.000 3.864 -0.000) 3.864 2.310 ( -0.000 3.091 -0.000) 3.091 2.365 ( 0.000 -0.336 0.000) 0.336 2.533 ( -0.000 5.139 -0.000) 5.139 2.537 ( 0.000 -0.634 0.000) 0.634 3.342 ( -0.000 8.250 -0.000) 8.250 3.517 ( -0.000 1.969 -0.000) 1.969 4.046 ( -0.000 6.590 -0.000) 6.590 4.104 ( -0.000 2.325 -0.000) 2.325 4.181 ( -0.000 0.489 -0.000) 0.489 4.433 ( 0.000 -0.177 0.000) 0.177 4.569 ( -0.000 2.273 -0.000) 2.273 4.709 ( 0.000 -0.079 0.000) 0.079 5.072 ( 0.000 -5.415 0.000) 5.415 6.970 ( 0.000 -3.159 0.000) 3.159 8.151 ( 0.000 -3.563 0.000) 3.563 8.510 ( 0.000 -2.840 0.000) 2.840 9.336 ( -0.000 0.326 -0.000) 0.326 9.406 ( 0.000 -1.520 0.000) 1.520 9.945 ( -0.000 0.553 -0.000) 0.553 10.502 ( -0.000 2.839 -0.000) 2.839 10.649 ( 0.000 -0.179 0.000) 0.179 12.778 ( -0.000 0.973 -0.000) 0.973 12.927 ( -0.000 0.368 -0.000) 0.368 13.134 ( -0.000 0.453 -0.000) 0.453 13.623 ( -0.000 0.069 -0.000) 0.069 13.756 ( 0.000 -0.478 0.000) 0.478 14.060 ( -0.000 2.295 -0.000) 2.295 ======================= Grid point 83 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -10.511 0.000 19.216) 21.903 0.381 ( -8.519 0.000 18.615) 20.472 0.640 ( -2.535 0.000 30.259) 30.365 0.912 ( 0.119 -0.000 0.204) 0.236 1.054 ( 1.951 -0.000 -1.286) 2.337 1.331 ( -0.914 0.000 2.761) 2.908 1.387 ( 3.804 -0.000 -4.278) 5.725 1.507 ( -5.451 0.000 1.618) 5.686 1.546 ( 0.493 -0.000 -1.966) 2.027 1.731 ( 3.566 -0.000 1.436) 3.844 2.087 ( -1.310 0.000 -0.480) 1.395 2.488 ( -0.851 0.000 0.450) 0.963 2.503 ( 4.705 -0.000 -4.462) 6.484 2.660 ( -18.448 0.000 -0.730) 18.462 3.141 ( 48.450 -0.000 2.922) 48.538 3.267 ( -1.920 0.000 -2.295) 2.992 3.362 ( -0.487 0.000 2.651) 2.696 3.591 ( -1.088 0.000 -1.794) 2.098 3.788 ( -5.299 0.000 6.209) 8.163 4.445 ( -1.940 0.000 3.715) 4.191 4.872 ( 1.434 -0.000 -2.170) 2.601 5.782 ( -1.623 0.000 -12.308) 12.415 7.692 ( -1.599 0.000 7.978) 8.137 8.799 ( -1.721 0.000 1.408) 2.224 8.969 ( 3.251 -0.000 -8.801) 9.382 9.095 ( -0.360 0.000 -2.124) 2.155 9.825 ( 1.394 -0.000 0.398) 1.450 9.844 ( -0.080 0.000 0.007) 0.080 10.105 ( -3.678 0.000 3.817) 5.301 10.432 ( 0.271 -0.000 -1.381) 1.408 12.627 ( 0.055 -0.000 1.698) 1.699 12.804 ( 0.884 -0.000 -0.349) 0.951 13.201 ( 1.538 -0.000 1.123) 1.904 13.453 ( -0.885 0.000 -0.222) 0.912 13.606 ( 0.230 -0.000 -1.742) 1.757 13.831 ( 0.849 -0.000 -2.870) 2.993 ======================= Grid point 84 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.459 -8.069 14.185) 16.326 0.545 ( 10.556 -11.409 5.850) 16.608 0.889 ( 11.621 -10.716 15.058) 21.832 0.931 ( 2.177 -1.893 3.306) 4.388 1.079 ( 0.436 -2.152 0.127) 2.199 1.359 ( 3.122 -0.058 1.059) 3.297 1.451 ( 2.170 -0.044 -3.046) 3.740 1.478 ( 0.551 -6.164 -0.268) 6.195 1.563 ( 1.388 -1.423 -1.726) 2.633 1.771 ( -3.655 -6.183 3.327) 7.916 2.108 ( 6.848 1.673 -1.319) 7.172 2.324 ( -8.991 7.324 11.443) 16.292 2.471 ( -2.983 0.079 0.776) 3.083 2.546 ( 1.310 -0.679 -1.227) 1.920 3.242 ( 10.676 5.456 2.121) 12.175 3.356 ( 5.309 -0.888 0.377) 5.396 3.594 ( 1.348 -0.747 4.242) 4.513 3.776 ( 0.399 -2.413 2.867) 3.769 3.891 ( 15.419 -14.744 -16.576) 27.016 4.438 ( -0.368 -0.355 4.722) 4.750 4.865 ( -1.213 0.732 -1.538) 2.091 5.700 ( -2.880 2.992 -14.402) 14.989 7.650 ( -4.134 2.811 7.567) 9.069 8.759 ( -1.982 2.552 0.173) 3.235 8.957 ( 2.347 5.011 -6.761) 8.736 9.115 ( -1.332 -4.365 -3.391) 5.686 9.782 ( -4.924 1.784 1.493) 5.446 9.839 ( 0.347 -0.198 0.503) 0.642 10.140 ( 4.195 -1.578 3.163) 5.486 10.460 ( 2.446 -1.667 -1.228) 3.204 12.635 ( 0.031 -0.493 1.827) 1.893 12.819 ( 0.832 -0.322 -0.200) 0.914 13.187 ( -0.283 2.214 1.344) 2.606 13.482 ( 1.074 -3.782 -0.657) 3.986 13.607 ( 0.507 -0.068 -1.897) 1.965 13.830 ( 0.224 0.494 -2.367) 2.428 ======================= Grid point 85 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 2.852 -5.310 8.639) 10.534 0.787 ( 6.491 -7.638 1.169) 10.092 0.957 ( 1.805 -0.646 1.227) 2.276 1.063 ( -0.033 -0.223 2.479) 2.489 1.227 ( 6.117 -5.290 5.540) 9.803 1.369 ( -2.761 -1.723 2.442) 4.069 1.518 ( 4.871 -1.927 -3.329) 6.207 1.562 ( -3.786 -2.905 3.421) 5.871 1.589 ( 0.986 -1.738 -2.163) 2.944 1.932 ( 9.460 -14.839 0.677) 17.611 2.202 ( 2.011 1.694 5.700) 6.278 2.288 ( 10.233 -4.652 -0.587) 11.256 2.423 ( -2.473 1.323 -0.092) 2.806 2.560 ( -0.547 -0.952 1.907) 2.201 3.380 ( 11.125 -0.468 2.107) 11.333 3.472 ( 5.880 -4.038 -0.540) 7.153 3.617 ( -0.645 0.596 9.651) 9.691 3.853 ( 3.532 -4.576 0.730) 5.827 4.126 ( 6.134 -7.155 -9.442) 13.341 4.455 ( 0.297 -0.386 3.938) 3.968 4.822 ( -2.385 1.058 -0.727) 2.708 5.573 ( -3.246 4.566 -14.977) 15.990 7.545 ( -6.043 4.594 7.633) 10.765 8.684 ( -2.200 3.743 -1.144) 4.490 8.896 ( 1.473 6.558 -6.075) 9.060 9.128 ( -3.018 -3.814 -3.459) 5.969 9.705 ( -3.317 1.390 2.542) 4.404 9.848 ( -0.063 -0.755 0.550) 0.936 10.231 ( 4.756 -1.256 1.843) 5.253 10.530 ( 3.528 -2.552 -1.140) 4.501 12.648 ( -0.006 -0.763 1.723) 1.885 12.828 ( 0.291 0.227 -0.443) 0.576 13.175 ( 0.644 0.390 1.677) 1.838 13.552 ( 1.133 -3.934 -0.556) 4.132 13.619 ( 1.545 -0.868 -2.385) 2.971 13.816 ( -0.136 0.951 -1.717) 1.967 ======================= Grid point 86 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.136 -2.320 4.029) 4.652 0.911 ( 2.847 0.686 -1.747) 3.410 1.028 ( 1.919 -7.297 4.640) 8.858 1.061 ( -0.879 -0.797 0.968) 1.531 1.304 ( 2.576 2.282 3.282) 4.756 1.360 ( -3.870 -2.671 1.770) 5.024 1.482 ( -5.312 0.903 3.942) 6.676 1.590 ( 1.035 -2.844 -2.312) 3.808 1.650 ( 2.146 -2.567 -0.123) 3.348 2.195 ( 8.481 -3.479 0.484) 9.180 2.211 ( 0.400 0.081 4.473) 4.492 2.370 ( -1.959 1.558 -0.746) 2.612 2.569 ( -0.700 -1.197 3.370) 3.644 2.646 ( 16.978 -15.394 -5.878) 23.660 3.539 ( 7.215 -1.542 -1.625) 7.555 3.575 ( 0.389 0.988 10.903) 10.954 3.630 ( 3.580 -2.542 1.514) 4.644 3.974 ( 4.872 -3.997 0.373) 6.312 4.250 ( 3.443 -4.740 -5.113) 7.776 4.462 ( -1.069 -0.192 3.223) 3.401 4.782 ( -1.526 0.642 -0.146) 1.662 5.448 ( -2.001 3.278 -13.147) 13.697 7.409 ( -6.709 4.772 8.059) 11.521 8.618 ( -0.826 1.984 -2.240) 3.104 8.809 ( 0.598 7.084 -5.561) 9.026 9.118 ( -3.554 -3.417 -3.104) 5.826 9.661 ( -1.479 1.569 2.652) 3.418 9.857 ( -0.102 -0.568 0.329) 0.664 10.310 ( 3.652 -1.209 1.222) 4.036 10.606 ( 2.936 -2.255 -0.981) 3.830 12.660 ( -0.032 -0.643 1.398) 1.539 12.821 ( -0.066 0.797 -0.710) 1.069 13.196 ( 0.925 -0.859 1.642) 2.071 13.588 ( 0.103 -1.027 -0.342) 1.088 13.671 ( 2.389 -2.616 -2.463) 4.315 13.798 ( 0.054 1.031 -1.286) 1.649 ======================= Grid point 87 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -2.150 -2.984 1.354) 3.919 0.894 ( 0.299 3.364 3.314) 4.732 1.067 ( 0.145 -0.558 -1.172) 1.306 1.155 ( -0.972 -7.442 2.546) 7.925 1.302 ( 0.562 1.578 1.546) 2.279 1.319 ( -4.564 -0.686 3.420) 5.745 1.426 ( -1.613 1.987 2.417) 3.520 1.621 ( -0.609 -2.416 -1.603) 2.963 1.693 ( 0.926 -0.461 0.313) 1.081 2.222 ( -1.006 -0.738 2.488) 2.783 2.298 ( 2.726 -0.140 0.664) 2.809 2.325 ( 1.141 2.901 -2.686) 4.115 2.567 ( -1.246 1.029 3.884) 4.207 2.998 ( 9.708 -9.052 -5.526) 14.378 3.508 ( -3.605 3.530 4.885) 7.023 3.642 ( 3.270 -0.054 2.844) 4.334 3.735 ( 3.806 -2.434 0.720) 4.574 4.064 ( 2.853 -0.482 0.546) 2.945 4.320 ( 1.391 -2.101 -3.537) 4.343 4.449 ( -1.825 -0.346 2.554) 3.158 4.752 ( -0.817 1.673 -1.268) 2.252 5.405 ( 1.283 -1.767 -8.661) 8.932 7.295 ( -4.657 2.214 8.088) 9.592 8.614 ( 1.543 -1.536 -2.404) 3.243 8.723 ( 0.644 5.604 -4.843) 7.434 9.104 ( -3.122 -2.967 -3.354) 5.459 9.629 ( -0.571 2.063 2.022) 2.945 9.859 ( 0.234 0.442 -0.001) 0.501 10.367 ( 1.660 -1.243 1.242) 2.417 10.655 ( 1.120 -0.986 -0.770) 1.679 12.667 ( -0.121 -0.092 1.032) 1.043 12.808 ( 0.137 0.817 -0.915) 1.234 13.218 ( -0.034 -0.820 1.627) 1.822 13.596 ( 0.186 -0.289 -0.335) 0.481 13.714 ( 1.049 -0.753 -1.867) 2.270 13.791 ( 0.783 0.542 -1.338) 1.643 ======================= Grid point 88 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -2.513 -6.413 2.457) 7.312 0.879 ( 0.919 1.350 3.623) 3.974 1.054 ( -0.419 2.889 -2.012) 3.545 1.157 ( -6.097 -1.672 1.379) 6.471 1.266 ( 0.661 3.598 0.982) 3.788 1.295 ( -4.232 -0.543 2.795) 5.100 1.417 ( -0.919 -3.384 1.796) 3.940 1.631 ( -1.246 -2.042 -0.869) 2.545 1.689 ( 0.483 2.535 -0.024) 2.581 2.203 ( -3.289 -0.260 2.172) 3.950 2.250 ( -3.542 2.914 -1.239) 4.751 2.355 ( 4.304 1.640 -1.579) 4.869 2.519 ( -1.341 4.117 1.879) 4.720 3.083 ( -2.105 3.459 -2.107) 4.564 3.419 ( -3.453 3.502 3.052) 5.788 3.656 ( -0.682 1.551 1.412) 2.205 3.778 ( -0.179 0.429 2.431) 2.475 4.058 ( -1.436 3.278 0.450) 3.606 4.309 ( -1.635 2.439 -4.040) 4.994 4.445 ( -0.364 -0.810 2.208) 2.380 4.722 ( 0.618 1.302 -2.654) 3.020 5.484 ( 3.775 -6.304 -5.076) 8.931 7.278 ( -0.181 -2.613 7.471) 7.917 8.650 ( 1.172 2.016 0.860) 2.485 8.712 ( 3.783 -4.087 -7.029) 8.968 9.092 ( -1.955 -2.404 -4.006) 5.065 9.602 ( 0.185 2.192 1.177) 2.495 9.853 ( 0.742 1.482 -0.152) 1.664 10.387 ( -1.275 -0.710 1.887) 2.386 10.657 ( -0.960 0.643 -0.724) 1.364 12.663 ( -0.245 0.620 0.859) 1.087 12.802 ( 0.607 0.616 -1.175) 1.459 13.218 ( -1.472 -0.262 1.830) 2.363 13.601 ( 0.282 -0.088 -0.367) 0.471 13.715 ( 0.057 0.972 -1.628) 1.897 13.792 ( 0.784 0.862 -1.387) 1.811 ======================= Grid point 89 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -7.022 -5.355 8.672) 12.377 0.867 ( -4.562 2.392 -0.280) 5.159 0.984 ( 3.058 5.754 -0.058) 6.517 1.075 ( -6.584 0.057 1.201) 6.693 1.234 ( -3.564 0.348 0.028) 3.581 1.274 ( 3.720 0.034 -1.913) 4.183 1.433 ( -3.120 -1.742 1.553) 3.897 1.639 ( -2.805 -2.956 0.350) 4.090 1.655 ( 1.193 3.506 0.117) 3.706 2.119 ( -7.710 5.072 -1.104) 9.294 2.151 ( -4.325 0.456 3.557) 5.619 2.387 ( 4.620 2.801 -2.119) 5.804 2.460 ( 0.471 3.595 0.066) 3.627 2.853 ( -12.758 14.585 2.700) 19.565 3.341 ( -3.167 2.604 1.888) 4.513 3.590 ( -4.755 2.807 0.502) 5.545 3.734 ( -3.036 3.839 3.902) 6.259 3.954 ( -4.743 5.348 -0.263) 7.153 4.220 ( -2.428 4.479 -6.306) 8.106 4.456 ( -0.031 -0.311 2.235) 2.257 4.734 ( 2.764 -0.148 -2.778) 3.921 5.619 ( 3.742 -7.377 -4.903) 9.615 7.380 ( 3.426 -6.353 7.097) 10.123 8.654 ( 2.504 0.657 -0.393) 2.619 8.825 ( 2.462 -6.660 -5.303) 8.862 9.100 ( 0.872 -1.826 -4.350) 4.798 9.592 ( 1.573 1.131 0.535) 2.010 9.843 ( 1.263 2.183 -0.037) 2.522 10.355 ( -4.421 0.029 2.710) 5.185 10.612 ( -2.533 2.070 -0.859) 3.382 12.650 ( -0.258 1.039 0.956) 1.435 12.803 ( 0.874 0.663 -1.430) 1.802 13.195 ( -2.390 -0.086 2.184) 3.239 13.604 ( 0.244 -0.025 -0.486) 0.545 13.680 ( -1.365 2.912 -1.355) 3.490 13.790 ( 1.122 0.648 -1.822) 2.236 ======================= Grid point 90 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -9.502 6.079 9.851) 14.976 0.689 ( -13.144 1.032 7.922) 15.381 0.987 ( -5.067 0.415 0.914) 5.165 1.007 ( 4.252 2.249 -1.211) 4.960 1.199 ( -5.928 -2.516 0.431) 6.454 1.287 ( 1.691 5.600 -0.917) 5.921 1.441 ( 3.071 -2.725 -1.722) 4.452 1.609 ( -0.281 2.432 -0.564) 2.512 1.643 ( -3.911 -1.637 2.429) 4.886 1.894 ( -11.142 9.557 0.531) 14.689 2.110 ( -2.218 -0.702 7.907) 8.242 2.381 ( -0.127 8.839 -0.870) 8.882 2.452 ( -0.879 -0.419 1.262) 1.594 2.478 ( -5.770 11.139 1.189) 12.601 3.253 ( -6.960 1.579 2.521) 7.570 3.473 ( -5.722 2.822 -0.983) 6.455 3.621 ( -3.812 6.812 3.618) 8.603 3.820 ( -3.515 5.539 -1.697) 6.776 4.101 ( -3.889 5.130 -8.978) 11.047 4.460 ( -0.366 0.027 2.403) 2.431 4.783 ( 4.051 -0.624 -2.990) 5.074 5.736 ( 2.226 -6.068 -6.822) 9.398 7.535 ( 3.707 -6.434 7.555) 10.594 8.705 ( 3.763 -1.635 -0.795) 4.179 8.899 ( -0.889 -5.303 -5.765) 7.883 9.134 ( 2.828 0.433 -3.761) 4.726 9.636 ( 4.125 -2.019 0.246) 4.599 9.835 ( 1.742 2.471 0.200) 3.030 10.280 ( -6.626 0.200 3.349) 7.427 10.537 ( -3.109 2.806 -1.076) 4.325 12.636 ( -0.159 0.998 1.198) 1.568 12.802 ( 0.786 0.881 -1.383) 1.819 13.171 ( -2.159 -0.619 2.475) 3.342 13.596 ( -2.534 3.187 1.381) 4.300 13.610 ( 0.028 1.171 -2.944) 3.168 13.802 ( 1.549 -0.040 -2.565) 2.996 ======================= Grid point 91 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -4.543 8.339 15.180) 17.906 0.513 ( -17.258 -3.598 16.627) 24.233 0.928 ( -2.864 0.307 0.425) 2.911 0.964 ( -18.597 13.700 14.162) 27.094 1.031 ( 2.705 1.493 -1.555) 3.459 1.302 ( 2.237 -2.324 -2.380) 4.009 1.462 ( -5.189 5.256 2.251) 7.721 1.547 ( -0.723 1.183 -2.694) 3.030 1.591 ( -4.380 1.223 1.479) 4.782 1.692 ( 3.050 5.245 0.019) 6.067 2.138 ( -4.811 -0.595 2.588) 5.496 2.273 ( 9.695 -5.896 19.494) 22.556 2.452 ( 6.648 2.941 -5.193) 8.934 2.481 ( 0.549 -0.928 0.704) 1.288 3.107 ( -13.302 -0.444 2.254) 13.499 3.361 ( -4.598 2.921 -1.044) 5.547 3.499 ( 0.021 9.319 0.694) 9.345 3.697 ( -1.315 8.117 -7.552) 11.164 3.928 ( -7.875 5.711 -6.484) 11.691 4.458 ( -0.828 -0.115 2.495) 2.631 4.839 ( 3.601 -0.328 -3.021) 4.712 5.796 ( 0.213 -3.339 -9.548) 10.117 7.655 ( 1.374 -3.506 8.053) 8.890 8.780 ( 2.292 -2.325 0.384) 3.287 8.930 ( 0.091 -3.973 -7.988) 8.922 9.129 ( 1.174 3.500 -3.104) 4.823 9.749 ( 5.013 -3.995 0.077) 6.410 9.833 ( 2.122 2.194 0.369) 3.075 10.187 ( -7.292 -0.114 3.629) 8.146 10.462 ( -2.076 2.094 -1.380) 3.256 12.627 ( -0.042 0.581 1.456) 1.569 12.799 ( 0.707 0.689 -0.901) 1.337 13.168 ( -0.480 -1.296 2.959) 3.266 13.505 ( -2.654 3.597 0.085) 4.471 13.607 ( 0.207 0.037 -1.648) 1.661 13.819 ( 1.399 -0.246 -2.964) 3.287 ======================= Grid point 93 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 13.446 -0.000 2.901) 13.755 0.664 ( 17.201 -0.000 3.313) 17.517 0.953 ( 2.254 -0.000 -0.991) 2.463 1.059 ( -1.411 0.000 1.395) 1.984 1.072 ( 17.591 -0.000 11.615) 21.080 1.400 ( -1.893 0.000 2.067) 2.803 1.495 ( 12.255 -0.000 -0.945) 12.292 1.501 ( 5.651 -0.000 -6.093) 8.311 1.580 ( 2.980 -0.000 -0.190) 2.986 1.665 ( -5.602 0.000 4.331) 7.081 2.218 ( 7.112 -0.000 -0.319) 7.119 2.268 ( -5.894 0.000 9.609) 11.273 2.440 ( -0.696 0.000 -0.269) 0.747 2.545 ( -0.923 0.000 1.156) 1.479 3.376 ( 9.425 -0.000 -2.285) 9.698 3.488 ( 7.954 -0.000 0.869) 8.001 3.626 ( 0.993 -0.000 12.666) 12.705 3.790 ( 3.601 -0.000 1.064) 3.755 3.979 ( 11.601 -0.000 -12.683) 17.188 4.451 ( 0.737 -0.000 3.826) 3.896 4.834 ( -3.313 0.000 -0.537) 3.357 5.633 ( -4.278 0.000 -16.314) 16.866 7.606 ( -6.635 0.000 7.245) 9.825 8.739 ( -3.266 0.000 -0.598) 3.320 9.007 ( 0.647 -0.000 -6.487) 6.519 9.047 ( -2.034 0.000 -2.919) 3.558 9.718 ( -4.438 0.000 1.762) 4.776 9.837 ( -0.814 0.000 1.707) 1.891 10.220 ( 6.486 -0.000 1.324) 6.620 10.493 ( 3.834 -0.000 -0.937) 3.947 12.638 ( 0.210 -0.000 1.981) 1.992 12.832 ( 1.107 -0.000 -0.061) 1.109 13.187 ( -1.292 0.000 0.910) 1.580 13.491 ( 3.430 -0.000 -0.885) 3.542 13.614 ( 1.176 -0.000 -1.761) 2.118 13.829 ( -0.180 0.000 -1.684) 1.693 ======================= Grid point 94 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 12.230 0.308 1.734) 12.357 0.833 ( 9.295 5.026 0.269) 10.571 0.984 ( 2.659 -0.103 -1.745) 3.182 1.046 ( -1.527 -0.958 2.598) 3.163 1.305 ( 7.777 -0.516 2.722) 8.256 1.367 ( 0.453 3.097 2.969) 4.315 1.533 ( -1.211 4.171 3.283) 5.444 1.580 ( 6.239 1.496 -5.708) 8.587 1.623 ( 5.378 -0.076 0.043) 5.379 1.919 ( 18.196 -17.453 -1.271) 25.245 2.219 ( -2.732 0.481 5.683) 6.324 2.309 ( 1.597 -3.695 -0.587) 4.068 2.466 ( 6.022 0.597 -0.074) 6.052 2.537 ( -1.374 -1.377 3.829) 4.295 3.532 ( 10.912 -1.269 -0.447) 10.994 3.587 ( 9.397 3.659 -0.564) 10.100 3.656 ( -0.080 1.343 15.339) 15.398 3.888 ( 7.513 -2.406 -0.329) 7.896 4.116 ( 6.080 -4.659 -6.760) 10.216 4.462 ( -0.567 0.085 3.668) 3.712 4.781 ( -3.696 -0.260 0.064) 3.706 5.517 ( -5.105 1.604 -16.708) 17.544 7.501 ( -8.257 2.076 7.271) 11.196 8.668 ( -4.648 1.469 -0.758) 4.933 8.949 ( -1.928 3.698 -5.647) 7.020 9.036 ( -2.486 -2.782 -4.369) 5.746 9.684 ( -0.774 0.393 2.300) 2.458 9.829 ( -1.453 -0.947 2.029) 2.669 10.307 ( 5.544 0.386 0.345) 5.568 10.557 ( 3.861 -1.291 -0.733) 4.136 12.649 ( 0.566 -0.207 1.826) 1.923 12.844 ( 1.005 0.685 -0.258) 1.244 13.177 ( -0.535 -0.464 1.059) 1.274 13.549 ( 2.873 -1.246 -0.866) 3.249 13.640 ( 3.338 -0.279 -1.893) 3.847 13.818 ( -0.399 0.449 -0.853) 1.043 ======================= Grid point 95 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 2.318 6.523 -3.631) 7.817 0.974 ( 7.727 -0.699 2.676) 8.207 1.028 ( 4.694 1.104 0.140) 4.824 1.059 ( 1.822 -1.077 0.401) 2.154 1.287 ( -1.465 5.106 3.509) 6.366 1.383 ( 1.675 2.001 1.375) 2.949 1.485 ( 0.380 3.349 2.007) 3.922 1.630 ( 5.285 2.317 -4.956) 7.606 1.709 ( 6.898 1.164 0.990) 7.066 2.194 ( -2.855 -1.122 2.864) 4.196 2.261 ( 6.056 -3.144 1.905) 7.084 2.368 ( 3.211 -1.221 -1.677) 3.823 2.541 ( -0.068 -3.373 3.323) 4.735 2.689 ( 13.766 -11.345 -3.137) 18.112 3.610 ( 0.283 4.252 6.207) 7.529 3.691 ( 6.980 3.325 7.073) 10.479 3.700 ( 8.582 -0.536 0.330) 8.605 4.037 ( 8.709 -1.724 0.269) 8.882 4.229 ( 3.230 -4.320 -4.070) 6.757 4.447 ( -2.012 0.294 3.195) 3.787 4.752 ( -2.022 -1.359 0.711) 2.538 5.394 ( -4.513 0.495 -14.852) 15.531 7.365 ( -8.359 2.705 7.634) 11.638 8.590 ( -4.247 -0.312 -1.136) 4.407 8.846 ( -3.857 3.739 -4.956) 7.309 9.029 ( -1.806 -2.726 -5.194) 6.137 9.681 ( 1.064 1.935 2.547) 3.371 9.833 ( -1.211 -1.968 1.628) 2.827 10.367 ( 3.896 0.817 0.156) 3.983 10.621 ( 2.596 -1.473 -0.655) 3.056 12.665 ( 0.911 -0.017 1.407) 1.676 12.842 ( 0.902 1.530 -0.478) 1.839 13.187 ( -0.342 -1.403 1.160) 1.852 13.584 ( 0.995 -0.529 -0.548) 1.253 13.704 ( 5.038 -0.083 -2.060) 5.444 13.806 ( -0.127 0.500 -0.352) 0.624 ======================= Grid point 96 (38/160) ======================= q-point: ( 0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 0.462 4.003 -4.443) 5.999 1.025 ( 2.433 3.066 2.937) 4.894 1.070 ( 3.625 1.455 0.699) 3.968 1.149 ( 8.747 4.010 -1.223) 9.700 1.218 ( -2.461 -0.597 2.659) 3.672 1.368 ( 1.588 3.753 0.445) 4.100 1.430 ( -2.921 3.721 1.549) 4.977 1.652 ( 4.088 3.066 -3.214) 6.037 1.778 ( 6.465 3.719 0.657) 7.487 2.172 ( -3.863 -1.868 1.426) 4.521 2.300 ( -0.661 0.266 0.702) 1.000 2.393 ( 1.958 2.124 0.900) 3.026 2.582 ( 1.137 0.342 3.633) 3.822 3.003 ( 8.781 -9.058 -5.018) 13.577 3.543 ( -1.986 5.805 6.439) 8.894 3.737 ( 4.770 4.414 3.506) 7.385 3.805 ( 5.864 1.743 1.289) 6.252 4.139 ( 4.858 2.717 1.548) 5.777 4.296 ( 1.116 -3.060 -3.552) 4.819 4.428 ( -0.896 -0.304 1.893) 2.117 4.745 ( -1.140 -0.208 -0.262) 1.188 5.340 ( -1.840 -4.381 -10.451) 11.481 7.254 ( -5.785 0.547 7.652) 9.608 8.566 ( -2.675 -4.225 -0.923) 5.085 8.741 ( -3.745 2.133 -4.042) 5.909 9.031 ( -0.569 -2.302 -6.440) 6.862 9.671 ( 1.152 2.952 2.489) 4.030 9.847 ( -0.569 -1.593 0.841) 1.889 10.397 ( 1.818 1.191 0.742) 2.297 10.656 ( 0.626 -0.573 -0.646) 1.067 12.679 ( 0.995 0.582 0.939) 1.487 12.834 ( 1.171 1.727 -0.623) 2.177 13.197 ( -1.175 -1.260 1.284) 2.148 13.597 ( 0.577 -0.146 -0.377) 0.705 13.750 ( 2.939 1.601 -1.548) 3.688 13.808 ( 1.472 0.370 -0.798) 1.715 ======================= Grid point 97 (39/160) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 3.375 -0.287 -4.904) 5.960 1.004 ( 1.517 5.898 3.219) 6.889 1.079 ( -3.250 0.176 -0.614) 3.312 1.133 ( 7.633 9.118 2.134) 12.082 1.258 ( 1.133 4.907 -1.329) 5.209 1.336 ( -1.146 -1.722 2.699) 3.400 1.365 ( 1.986 2.441 -1.884) 3.668 1.654 ( 3.109 3.782 -2.236) 5.382 1.793 ( 4.163 6.170 0.589) 7.466 2.134 ( -4.946 -1.502 2.072) 5.569 2.245 ( -3.392 4.178 -0.385) 5.395 2.398 ( 0.601 0.042 1.702) 1.805 2.577 ( 1.395 3.644 1.855) 4.320 3.082 ( -2.828 2.828 -1.702) 4.347 3.452 ( -1.850 5.839 4.535) 7.621 3.717 ( 1.073 6.711 2.134) 7.123 3.826 ( 1.939 4.026 2.810) 5.279 4.103 ( -1.743 5.869 1.395) 6.279 4.311 ( 0.476 1.997 -4.019) 4.513 4.441 ( 0.742 -0.905 1.438) 1.854 4.729 ( 0.021 0.008 -2.137) 2.137 5.404 ( 0.595 -9.031 -6.819) 11.332 7.241 ( -1.183 -4.029 7.092) 8.242 8.601 ( -3.301 -6.268 2.148) 7.402 8.691 ( -0.456 -1.959 -5.950) 6.281 9.047 ( 1.622 -2.018 -7.579) 8.009 9.653 ( 1.077 2.982 2.206) 3.862 9.857 ( -0.193 -0.652 0.228) 0.717 10.387 ( -0.755 2.119 1.949) 2.977 10.649 ( -1.165 0.829 -0.793) 1.635 12.681 ( 0.766 1.316 0.693) 1.673 12.831 ( 1.567 1.541 -0.820) 2.346 13.188 ( -2.254 -0.557 1.613) 2.827 13.604 ( 0.398 0.017 -0.438) 0.592 13.752 ( 1.711 2.297 -1.611) 3.286 13.817 ( 1.275 1.621 -1.070) 2.324 ======================= Grid point 98 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 2.553 2.048 -4.764) 5.780 0.926 ( 0.593 10.221 3.998) 10.991 0.993 ( -6.340 0.861 2.622) 6.915 1.142 ( 3.873 10.289 1.056) 11.044 1.165 ( 2.415 1.624 -0.346) 2.931 1.384 ( 0.425 -2.268 1.308) 2.652 1.405 ( 9.553 2.990 -6.292) 11.823 1.631 ( 1.126 4.319 -0.853) 4.544 1.749 ( 1.696 6.842 0.943) 7.112 2.076 ( -6.235 2.105 3.889) 7.644 2.111 ( -4.626 4.038 -0.038) 6.141 2.415 ( 0.173 -1.186 1.455) 1.885 2.554 ( 2.848 4.761 0.041) 5.548 2.852 ( -13.576 13.951 3.402) 19.762 3.361 ( -2.514 5.917 4.066) 7.607 3.613 ( -1.999 8.060 0.486) 8.318 3.778 ( -0.990 5.883 4.481) 7.461 3.981 ( -2.895 7.168 -0.322) 7.737 4.245 ( -0.740 5.793 -5.751) 8.197 4.460 ( 0.245 -0.086 2.045) 2.062 4.751 ( 2.103 -1.693 -2.592) 3.743 5.525 ( 0.834 -10.159 -6.836) 12.273 7.344 ( 2.107 -7.791 6.805) 10.556 8.626 ( -2.821 -5.101 2.742) 6.441 8.743 ( 0.273 -6.329 -6.753) 9.259 9.103 ( 4.789 -2.249 -7.508) 9.185 9.643 ( 1.328 1.764 1.890) 2.907 9.859 ( -0.032 -0.013 -0.004) 0.034 10.330 ( -3.029 3.338 3.107) 5.475 10.603 ( -2.164 2.235 -0.954) 3.254 12.671 ( 0.434 1.723 0.786) 1.943 12.833 ( 1.552 1.501 -1.072) 2.410 13.160 ( -2.596 -0.201 2.136) 3.368 13.607 ( 0.204 0.078 -0.667) 0.702 13.727 ( 1.000 4.765 -2.069) 5.291 13.806 ( 0.370 0.781 -1.218) 1.493 ======================= Grid point 99 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -2.688 10.577 1.322) 10.993 0.794 ( 1.247 13.461 4.466) 14.237 0.929 ( -3.126 -0.321 1.851) 3.647 1.094 ( 0.925 3.165 2.053) 3.884 1.196 ( 7.309 7.318 0.117) 10.344 1.382 ( 0.090 3.490 0.120) 3.494 1.511 ( 9.972 3.264 -6.681) 12.439 1.566 ( -4.217 2.193 1.610) 5.018 1.704 ( 3.105 5.399 0.356) 6.238 1.887 ( -6.154 8.482 -0.212) 10.481 2.085 ( -1.329 -2.106 7.888) 8.272 2.420 ( -11.337 10.807 6.531) 16.970 2.447 ( -4.237 3.466 1.532) 5.685 2.548 ( 2.364 3.649 -0.683) 4.401 3.231 ( -4.738 7.986 5.462) 10.773 3.492 ( -0.968 7.294 -1.176) 7.452 3.674 ( -2.695 6.596 3.619) 7.992 3.871 ( -0.018 6.518 -0.522) 6.538 4.131 ( -0.675 8.007 -8.964) 12.038 4.460 ( -0.718 0.333 3.033) 3.135 4.806 ( 2.566 -2.257 -2.792) 4.412 5.637 ( -0.097 -8.939 -8.957) 12.655 7.496 ( 1.858 -8.301 7.281) 11.197 8.676 ( -1.084 -5.967 2.272) 6.476 8.802 ( -0.118 -5.772 -7.953) 9.828 9.181 ( 4.576 -0.216 -5.920) 7.486 9.670 ( 2.438 -1.765 1.414) 3.325 9.857 ( -0.113 0.256 0.042) 0.282 10.240 ( -3.787 4.058 3.795) 6.724 10.535 ( -1.948 3.197 -1.039) 3.885 12.656 ( 0.149 1.636 1.099) 1.976 12.829 ( 0.990 1.558 -1.093) 2.145 13.138 ( -1.622 -0.659 2.613) 3.146 13.604 ( -0.134 0.358 -0.392) 0.547 13.651 ( -0.234 6.526 -2.251) 6.907 13.809 ( 0.628 -0.491 -2.083) 2.231 ======================= Grid point 100 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.940 11.367 7.594) 13.702 0.665 ( 3.231 14.555 5.938) 16.048 0.908 ( -0.171 0.777 0.861) 1.172 1.031 ( -4.485 12.676 11.676) 17.808 1.116 ( 2.677 10.901 2.047) 11.410 1.343 ( 2.949 3.678 -1.428) 4.925 1.463 ( -3.737 0.936 1.487) 4.130 1.554 ( 1.975 3.830 -2.088) 4.789 1.604 ( -2.372 7.279 -0.683) 7.686 1.847 ( 8.274 6.399 -1.904) 10.632 2.064 ( -6.513 1.023 2.695) 7.122 2.239 ( -1.883 -8.758 14.979) 17.453 2.467 ( 0.157 -2.002 1.032) 2.258 2.545 ( 2.296 2.329 -1.491) 3.594 3.104 ( 2.335 7.190 6.948) 10.268 3.390 ( -0.178 6.790 -0.987) 6.864 3.596 ( 0.570 3.533 1.166) 3.764 3.808 ( 1.391 5.240 0.616) 5.457 3.989 ( 3.029 12.684 -13.424) 18.715 4.448 ( -1.368 0.379 4.156) 4.391 4.855 ( 1.159 -1.776 -2.675) 3.414 5.701 ( -1.410 -6.301 -11.728) 13.388 7.613 ( -0.940 -6.032 7.691) 9.819 8.735 ( -1.557 -4.871 1.846) 5.436 8.868 ( 2.020 -5.880 -8.499) 10.530 9.185 ( 0.789 3.648 -4.506) 5.851 9.753 ( 1.855 -4.557 1.072) 5.036 9.848 ( -0.665 0.380 -0.003) 0.766 10.153 ( -1.793 3.890 4.130) 5.951 10.476 ( -0.039 3.024 -1.189) 3.250 12.642 ( 0.004 1.145 1.484) 1.875 12.820 ( 0.600 1.141 -0.682) 1.458 13.149 ( 0.113 -1.882 2.672) 3.270 13.548 ( -0.732 6.119 -0.232) 6.167 13.608 ( 0.353 0.362 -2.275) 2.330 13.821 ( 0.577 -0.740 -2.547) 2.715 ======================= Grid point 103 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.509 -0.000 2.047) 2.109 1.002 ( 3.448 -0.000 -0.283) 3.460 1.022 ( 3.473 -0.000 -3.048) 4.621 1.030 ( 1.211 -0.000 1.420) 1.866 1.400 ( -0.059 0.000 3.980) 3.980 1.409 ( 4.041 -0.000 -1.287) 4.241 1.628 ( 6.505 -0.000 -1.372) 6.648 1.725 ( 8.304 -0.000 1.339) 8.411 1.726 ( 10.531 -0.000 -4.733) 11.546 2.089 ( 25.540 -0.000 -4.406) 25.917 2.179 ( -4.060 0.000 3.950) 5.664 2.290 ( -0.191 0.000 -0.511) 0.546 2.501 ( -2.469 0.000 4.755) 5.357 2.575 ( 7.268 -0.000 2.154) 7.580 3.683 ( 10.881 -0.000 0.599) 10.897 3.689 ( -1.201 0.000 15.338) 15.385 3.756 ( 9.902 -0.000 -0.077) 9.902 3.999 ( 10.262 -0.000 -0.612) 10.280 4.160 ( 5.459 -0.000 -3.649) 6.566 4.455 ( -1.693 0.000 4.201) 4.529 4.725 ( -3.465 0.000 0.390) 3.487 5.404 ( -6.432 0.000 -17.242) 18.403 7.403 ( -9.336 0.000 7.368) 11.893 8.588 ( -7.297 0.000 0.497) 7.314 8.899 ( -6.098 0.000 -6.117) 8.637 8.986 ( -0.333 0.000 -5.961) 5.971 9.713 ( 3.215 -0.000 1.724) 3.649 9.797 ( -2.761 0.000 3.419) 4.394 10.382 ( 4.453 -0.000 -0.598) 4.493 10.598 ( 3.147 -0.000 -0.311) 3.162 12.665 ( 1.283 -0.000 1.578) 2.034 12.865 ( 1.280 -0.000 -0.399) 1.341 13.165 ( -0.606 0.000 1.075) 1.234 13.576 ( 1.807 -0.000 -0.840) 1.993 13.704 ( 6.313 -0.000 -2.030) 6.631 13.813 ( -0.635 0.000 0.072) 0.639 ======================= Grid point 104 (44/160) ======================= q-point: ( 0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -4.599 1.239 1.410) 4.967 1.022 ( 0.020 -0.878 -0.743) 1.150 1.058 ( 1.845 -0.211 -0.077) 1.859 1.089 ( 4.306 -2.111 -1.851) 5.141 1.391 ( -0.206 2.322 4.127) 4.740 1.423 ( -0.001 0.939 -1.420) 1.703 1.696 ( 9.975 6.887 -0.974) 12.161 1.782 ( 12.112 12.086 -6.019) 18.138 1.847 ( 8.878 1.688 0.646) 9.060 2.127 ( -4.655 -1.296 2.201) 5.310 2.287 ( 0.854 -0.262 0.375) 0.968 2.449 ( 5.593 1.197 1.421) 5.893 2.520 ( 8.276 -5.725 0.025) 10.064 2.722 ( 8.990 -8.701 -0.267) 12.514 3.674 ( -1.767 3.615 12.306) 12.947 3.822 ( 8.172 1.089 2.015) 8.487 3.869 ( 9.220 3.194 0.884) 9.797 4.161 ( 10.519 -1.718 -0.817) 10.690 4.223 ( 2.150 -0.815 -1.399) 2.692 4.436 ( -1.247 0.722 3.729) 3.998 4.703 ( -1.538 -2.106 1.079) 2.822 5.277 ( -6.392 -0.925 -15.884) 17.147 7.281 ( -8.819 0.955 7.791) 11.806 8.488 ( -7.688 -1.704 1.151) 7.959 8.780 ( -7.238 0.896 -5.740) 9.281 8.985 ( 1.110 -1.071 -7.897) 8.047 9.739 ( 0.224 2.291 3.418) 4.121 9.796 ( 0.902 -2.091 1.932) 2.986 10.428 ( 2.979 0.893 -0.662) 3.179 10.638 ( 1.718 -0.606 -0.182) 1.830 12.690 ( 1.785 0.237 1.068) 2.094 12.875 ( 1.265 1.138 -0.629) 1.814 13.166 ( -0.564 -0.876 1.321) 1.683 13.595 ( 1.003 -0.068 -0.639) 1.192 13.787 ( 4.443 1.207 -1.424) 4.819 13.809 ( 1.810 -0.372 -0.379) 1.887 ======================= Grid point 105 (45/160) ======================= q-point: ( 0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -3.704 0.393 -0.177) 3.729 1.018 ( -2.165 -1.054 -0.016) 2.408 1.079 ( 1.203 0.400 -1.122) 1.693 1.177 ( 3.096 -3.276 -1.621) 4.790 1.354 ( -1.173 3.648 4.055) 5.579 1.396 ( -1.381 0.847 -0.642) 1.743 1.731 ( 17.758 18.688 -3.107) 25.966 1.772 ( 6.727 7.108 -4.287) 10.685 1.925 ( 6.555 3.866 -0.122) 7.611 2.088 ( -4.426 -1.829 1.591) 5.046 2.298 ( 0.017 0.136 0.320) 0.348 2.429 ( -1.347 2.230 3.707) 4.531 2.631 ( 3.234 1.296 3.153) 4.699 3.000 ( 8.545 -8.654 -5.002) 13.150 3.608 ( -2.165 5.793 9.401) 11.253 3.881 ( 5.228 5.231 2.517) 7.813 3.938 ( 6.443 4.579 1.168) 7.990 4.214 ( -2.229 1.802 0.774) 2.969 4.313 ( 8.473 -0.602 -1.519) 8.629 4.430 ( 0.549 0.422 1.520) 1.670 4.719 ( -0.747 -1.455 0.795) 1.819 5.206 ( -4.115 -5.678 -12.162) 14.038 7.186 ( -5.977 -0.644 7.926) 9.948 8.436 ( -6.344 -5.501 1.851) 8.598 8.666 ( -6.035 -0.524 -5.451) 8.149 9.006 ( 2.611 -1.164 -9.501) 9.922 9.709 ( -2.167 1.021 4.743) 5.314 9.842 ( 2.588 -0.081 0.206) 2.597 10.442 ( 1.440 1.868 0.277) 2.375 10.656 ( 0.105 -0.155 -0.356) 0.402 12.710 ( 1.754 0.890 0.541) 2.040 12.874 ( 1.411 1.616 -0.800) 2.290 13.170 ( -1.103 -0.747 1.596) 2.079 13.605 ( 0.630 0.031 -0.557) 0.842 13.786 ( -0.149 0.632 0.254) 0.697 13.867 ( 5.193 1.856 -2.421) 6.023 ======================= Grid point 106 (46/160) ======================= q-point: (-0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.022 -3.678 -1.075) 3.832 0.986 ( -2.880 0.283 -1.052) 3.079 1.068 ( -0.761 1.791 -0.522) 2.015 1.234 ( 1.828 0.128 -1.112) 2.144 1.283 ( -4.600 1.554 4.246) 6.450 1.385 ( 2.401 0.707 -1.718) 3.036 1.727 ( 18.374 20.053 -5.749) 27.799 1.781 ( 7.702 7.306 -2.050) 10.812 1.929 ( 3.310 6.389 -0.187) 7.198 2.052 ( -4.128 -1.334 2.967) 5.256 2.257 ( -2.685 4.492 0.215) 5.237 2.399 ( -1.006 0.305 2.629) 2.831 2.639 ( 0.733 2.208 3.087) 3.865 3.076 ( -2.078 3.303 -2.209) 4.484 3.520 ( -1.656 6.427 7.558) 10.059 3.844 ( 1.202 9.054 2.014) 9.353 3.935 ( 2.688 6.464 2.110) 7.312 4.138 ( -2.505 4.431 0.549) 5.119 4.375 ( 3.151 4.241 -3.121) 6.137 4.450 ( 1.683 -0.724 1.838) 2.595 4.718 ( -0.159 -0.594 -1.288) 1.427 5.254 ( -1.299 -10.600 -8.536) 13.671 7.181 ( -1.666 -4.681 7.561) 9.048 8.447 ( -5.675 -8.024 3.330) 10.377 8.616 ( -2.543 -3.733 -6.535) 7.944 9.052 ( 4.673 -1.584 -10.314) 11.434 9.676 ( -2.795 0.343 5.084) 5.812 9.868 ( 2.083 1.017 -0.722) 2.428 10.420 ( -0.268 3.340 1.846) 3.826 10.643 ( -0.934 0.942 -0.730) 1.514 12.716 ( 1.201 1.663 0.290) 2.072 12.873 ( 1.520 1.549 -1.056) 2.413 13.158 ( -1.653 0.007 2.043) 2.628 13.609 ( 0.327 0.123 -0.719) 0.800 13.779 ( 0.066 0.252 -0.449) 0.519 13.883 ( 3.008 4.117 -2.448) 5.656 ======================= Grid point 107 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.486 -4.163 -0.030) 4.192 0.920 ( -2.929 3.559 -2.201) 5.107 1.013 ( -1.368 3.672 0.510) 3.952 1.180 ( -2.483 3.884 4.707) 6.589 1.288 ( 3.005 -1.802 -2.859) 4.523 1.428 ( 3.657 -0.495 -2.506) 4.461 1.706 ( 7.423 12.221 -1.910) 14.426 1.799 ( 15.278 15.060 -5.172) 22.068 1.869 ( 2.321 7.650 0.724) 8.028 2.021 ( -3.669 -0.521 5.504) 6.635 2.123 ( -3.944 7.235 -0.656) 8.266 2.400 ( -0.473 -1.023 1.325) 1.739 2.619 ( -0.927 1.961 2.819) 3.556 2.857 ( -10.980 15.063 2.410) 18.795 3.434 ( -1.039 7.254 7.300) 10.344 3.716 ( -0.931 10.227 0.886) 10.307 3.859 ( -1.433 8.025 2.690) 8.584 4.047 ( -0.177 6.661 -0.265) 6.669 4.316 ( 0.627 6.583 -4.888) 8.223 4.473 ( 0.426 0.632 2.691) 2.797 4.742 ( 1.186 -2.364 -2.006) 3.320 5.369 ( -0.416 -11.675 -8.500) 14.447 7.279 ( 0.951 -8.156 7.436) 11.078 8.486 ( -4.247 -8.596 3.391) 10.170 8.650 ( -0.221 -6.097 -7.840) 9.934 9.136 ( 6.463 -2.442 -9.465) 11.719 9.646 ( -3.001 -0.689 4.905) 5.791 9.875 ( 1.317 1.330 -0.965) 2.106 10.359 ( -1.487 4.914 3.078) 5.986 10.606 ( -0.976 2.262 -0.961) 2.645 12.705 ( 0.496 2.092 0.446) 2.196 12.870 ( 0.988 1.513 -1.400) 2.286 13.137 ( -1.298 0.466 2.644) 2.982 13.608 ( 0.094 0.149 -1.023) 1.038 13.778 ( 0.568 0.438 -1.606) 1.759 13.840 ( 0.552 5.470 -2.094) 5.883 ======================= Grid point 108 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -0.159 8.775 -0.298) 8.782 0.837 ( -0.924 -1.270 1.086) 1.910 0.960 ( 1.090 3.909 -0.095) 4.059 1.127 ( -1.592 2.122 4.218) 4.983 1.365 ( 3.646 -2.476 -3.008) 5.336 1.473 ( 4.339 2.123 -2.222) 5.317 1.588 ( -2.883 12.860 3.448) 13.623 1.746 ( 4.806 11.741 -3.416) 13.138 1.862 ( 2.664 11.984 0.667) 12.294 1.946 ( 6.652 4.708 -1.832) 8.353 2.069 ( 0.453 -0.775 4.964) 5.044 2.409 ( -5.830 2.013 1.577) 6.366 2.429 ( -8.277 12.623 5.998) 16.243 2.619 ( 0.393 4.669 1.223) 4.842 3.337 ( 0.864 9.701 7.744) 12.443 3.595 ( 0.318 8.455 -0.156) 8.462 3.723 ( -3.178 7.491 2.131) 8.412 3.966 ( 0.824 7.120 0.354) 7.176 4.227 ( 1.950 7.608 -7.560) 10.902 4.465 ( -0.680 0.970 3.902) 4.077 4.789 ( 0.802 -3.077 -2.089) 3.805 5.483 ( -0.623 -10.420 -10.393) 14.730 7.417 ( 0.066 -8.833 7.859) 11.823 8.561 ( -1.718 -8.591 2.379) 9.078 8.712 ( 0.580 -6.312 -8.992) 11.001 9.224 ( 4.089 -0.618 -6.769) 7.933 9.645 ( -1.564 -3.432 3.657) 5.254 9.869 ( 0.453 1.236 -0.562) 1.432 10.278 ( -1.190 5.607 3.476) 6.703 10.561 ( 0.103 3.311 -1.012) 3.463 12.683 ( -0.049 2.003 0.868) 2.183 12.854 ( 0.001 1.439 -1.406) 2.012 13.130 ( 0.099 0.193 2.941) 2.949 13.604 ( -0.051 0.160 -1.109) 1.122 13.737 ( 0.302 7.278 -2.696) 7.767 13.798 ( -0.325 -0.737 -1.642) 1.829 ======================= Grid point 109 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.773 9.492 2.485) 9.842 0.832 ( 2.104 4.978 0.225) 5.410 0.949 ( 2.921 3.185 0.674) 4.374 1.079 ( -2.394 2.544 4.667) 5.830 1.324 ( -5.945 13.409 6.996) 16.251 1.414 ( -2.111 -1.209 0.533) 2.490 1.492 ( 7.600 7.033 -1.990) 10.545 1.651 ( -0.931 6.186 -2.542) 6.753 1.686 ( -2.797 10.227 2.227) 10.834 2.022 ( -2.717 5.056 3.901) 6.940 2.092 ( 11.928 4.170 -0.186) 12.637 2.208 ( 5.126 4.455 4.337) 8.058 2.435 ( -0.953 -1.827 0.407) 2.101 2.581 ( -0.579 2.098 1.303) 2.537 3.287 ( 6.825 7.650 6.349) 12.059 3.502 ( 1.867 8.119 -0.484) 8.345 3.629 ( -1.730 2.604 3.885) 4.986 3.892 ( 0.968 6.388 0.892) 6.523 4.159 ( 4.960 7.602 -9.768) 13.334 4.454 ( -0.383 0.876 4.477) 4.578 4.823 ( -0.633 -2.509 -1.669) 3.079 5.559 ( -1.590 -7.818 -12.730) 15.023 7.518 ( -2.952 -7.176 8.018) 11.158 8.644 ( -1.045 -6.301 0.661) 6.422 8.794 ( 1.832 -7.242 -8.294) 11.162 9.215 ( -1.143 2.931 -4.008) 5.095 9.695 ( -1.003 -4.587 2.275) 5.218 9.856 ( 0.020 0.999 -0.077) 1.002 10.217 ( 1.308 4.434 3.125) 5.580 10.530 ( 2.029 3.393 -1.152) 4.117 12.660 ( -0.236 1.473 1.353) 2.014 12.834 ( -0.282 0.784 -0.931) 1.249 13.148 ( 1.198 -0.453 2.562) 2.864 13.595 ( -0.373 1.304 -0.287) 1.386 13.644 ( 0.601 5.946 -3.045) 6.707 13.807 ( -0.010 -1.222 -2.078) 2.410 ======================= Grid point 113 (50/160) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -6.391 0.000 3.324) 7.204 0.995 ( -1.213 0.000 -0.272) 1.244 1.101 ( 2.596 -0.000 -3.142) 4.075 1.124 ( 3.778 -0.000 -1.068) 3.926 1.400 ( -3.232 0.000 -0.517) 3.273 1.404 ( -0.609 0.000 2.892) 2.955 1.824 ( 6.872 -0.000 -2.518) 7.318 1.967 ( 6.642 -0.000 -0.779) 6.688 2.056 ( -3.944 0.000 2.958) 4.930 2.095 ( 14.392 -0.000 -4.497) 15.078 2.296 ( 0.845 -0.000 -0.666) 1.075 2.459 ( -1.938 0.000 4.766) 5.145 2.716 ( 0.872 -0.000 4.398) 4.483 2.754 ( 21.736 -0.000 -8.444) 23.318 3.693 ( -2.780 0.000 12.690) 12.991 3.946 ( 7.091 -0.000 1.176) 7.188 4.017 ( 7.952 -0.000 0.442) 7.964 4.200 ( -0.397 0.000 -1.945) 1.986 4.326 ( 9.551 -0.000 1.479) 9.665 4.446 ( 0.505 -0.000 3.918) 3.950 4.678 ( 0.094 -0.000 1.179) 1.182 5.138 ( -6.816 0.000 -15.429) 16.868 7.183 ( -7.903 0.000 8.327) 11.480 8.361 ( -8.268 0.000 2.477) 8.631 8.660 ( -7.844 0.000 -6.258) 10.034 8.991 ( 3.181 -0.000 -10.126) 10.614 9.716 ( -4.215 0.000 5.701) 7.091 9.846 ( 4.617 -0.000 0.484) 4.642 10.468 ( 2.074 -0.000 -0.806) 2.225 10.651 ( 0.646 -0.000 0.102) 0.654 12.722 ( 2.158 -0.000 0.506) 2.217 12.897 ( 1.070 -0.000 -0.999) 1.464 13.158 ( -0.365 0.000 1.794) 1.831 13.605 ( 0.741 -0.000 -0.638) 0.978 13.793 ( -0.961 0.000 0.985) 1.376 13.892 ( 6.697 -0.000 -2.939) 7.313 ======================= Grid point 114 (51/160) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -5.595 -0.972 3.121) 6.480 0.985 ( -0.524 -0.234 -1.124) 1.262 1.109 ( 0.846 1.481 -1.384) 2.197 1.184 ( 2.910 -1.754 -1.770) 3.831 1.339 ( -4.328 0.871 1.605) 4.698 1.397 ( -0.196 0.502 0.484) 0.725 1.889 ( 5.213 2.923 -1.853) 6.257 1.984 ( -1.884 -0.773 -0.503) 2.098 2.067 ( 3.747 2.055 2.203) 4.807 2.201 ( 14.193 11.229 -5.460) 18.904 2.307 ( 0.765 0.305 0.025) 0.825 2.433 ( -2.175 1.290 3.920) 4.665 2.693 ( -0.908 2.556 4.621) 5.358 3.045 ( 12.847 -3.915 -7.611) 15.437 3.655 ( -2.799 3.386 10.815) 11.673 4.011 ( 4.386 3.473 1.143) 5.710 4.081 ( 4.378 4.454 0.578) 6.272 4.182 ( -1.944 -0.754 -0.149) 2.091 4.443 ( 6.056 0.996 3.109) 6.880 4.457 ( 2.146 1.545 -0.506) 2.692 4.702 ( 0.730 -1.054 1.339) 1.854 5.046 ( -4.526 -4.654 -12.843) 14.391 7.111 ( -5.269 -1.125 8.682) 10.218 8.285 ( -6.548 -3.798 3.159) 8.203 8.551 ( -5.944 -1.337 -6.531) 8.932 9.026 ( 4.618 -0.491 -11.592) 12.488 9.670 ( -4.496 -0.368 6.720) 8.094 9.897 ( 3.106 0.808 -0.445) 3.240 10.483 ( 1.394 1.413 0.156) 1.991 10.654 ( -0.249 0.081 -0.064) 0.270 12.747 ( 1.787 0.683 -0.023) 1.913 12.903 ( 0.861 0.694 -1.337) 1.735 13.158 ( -0.456 -0.008 2.269) 2.315 13.612 ( 0.424 0.063 -0.732) 0.848 13.780 ( -0.996 -0.011 0.687) 1.210 13.959 ( 4.909 1.651 -3.314) 6.149 ======================= Grid point 115 (52/160) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -2.357 -4.966 2.649) 6.102 0.977 ( 0.764 1.061 -2.961) 3.237 1.082 ( -1.043 2.170 0.115) 2.410 1.230 ( 0.046 -1.348 -0.959) 1.655 1.274 ( -1.816 1.796 2.787) 3.780 1.400 ( 1.011 -0.822 -2.102) 2.473 1.891 ( 2.554 4.195 -0.984) 5.008 1.983 ( -0.039 -0.460 0.829) 0.949 2.061 ( 1.361 5.379 1.771) 5.824 2.229 ( 14.163 13.520 -5.912) 20.453 2.282 ( -1.242 4.665 0.335) 4.839 2.395 ( -1.108 0.830 2.078) 2.497 2.652 ( -3.227 0.937 4.731) 5.803 3.129 ( 2.637 6.415 -4.851) 8.464 3.589 ( -1.878 5.004 9.664) 11.044 3.968 ( -0.319 8.503 1.389) 8.621 4.046 ( 0.652 5.921 0.466) 5.975 4.165 ( 0.305 2.280 0.479) 2.349 4.436 ( -0.363 2.357 -0.912) 2.553 4.504 ( 3.669 2.304 1.004) 4.447 4.710 ( -0.164 -0.112 -0.733) 0.760 5.085 ( -0.330 -9.847 -9.077) 13.396 7.115 ( -1.708 -4.504 8.614) 9.869 8.281 ( -4.703 -6.763 3.444) 8.928 8.513 ( -2.054 -4.221 -7.170) 8.570 9.086 ( 6.100 -1.355 -12.011) 13.539 9.626 ( -4.803 -0.726 7.296) 8.765 9.912 ( 1.395 1.312 -1.295) 2.312 10.469 ( 0.482 3.432 1.772) 3.893 10.643 ( -0.355 0.701 -0.563) 0.966 12.752 ( 0.856 1.490 -0.213) 1.732 12.900 ( 0.535 0.840 -1.713) 1.982 13.153 ( -0.461 0.613 2.805) 2.908 13.612 ( 0.126 0.147 -0.990) 1.009 13.770 ( -0.816 -0.395 -0.121) 0.915 13.970 ( 2.430 3.874 -3.398) 5.697 ======================= Grid point 116 (53/160) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -1.068 -6.193 2.135) 6.637 0.965 ( 2.293 3.434 -3.762) 5.586 1.038 ( -0.464 2.396 -0.083) 2.442 1.184 ( -3.161 2.340 4.216) 5.766 1.300 ( 2.484 -2.022 -1.646) 3.601 1.435 ( 1.538 -2.351 -2.811) 3.974 1.854 ( 1.465 6.895 -0.301) 7.055 1.973 ( -0.062 4.716 -0.090) 4.717 2.001 ( -0.800 2.823 4.839) 5.659 2.168 ( -2.102 7.201 -1.063) 7.577 2.234 ( 10.916 13.203 -3.569) 17.499 2.384 ( -1.127 0.144 -0.010) 1.136 2.597 ( -4.221 0.861 4.791) 6.442 2.961 ( -2.716 16.345 -1.443) 16.631 3.527 ( -0.415 5.330 9.653) 11.035 3.829 ( -1.729 10.208 0.879) 10.390 3.947 ( -1.642 8.624 -0.180) 8.781 4.127 ( 0.468 4.848 0.565) 4.903 4.385 ( 0.205 4.396 -3.818) 5.826 4.501 ( -0.078 2.163 2.763) 3.510 4.720 ( 0.109 -2.047 -1.520) 2.553 5.209 ( 1.521 -10.483 -8.642) 13.671 7.203 ( 0.031 -7.483 8.678) 11.459 8.335 ( -1.998 -8.487 2.433) 9.052 8.556 ( 0.612 -5.822 -7.930) 9.857 9.179 ( 6.711 -2.276 -10.709) 12.842 9.586 ( -4.635 -1.380 7.064) 8.561 9.902 ( -0.062 1.187 -1.384) 1.825 10.419 ( -0.240 5.256 2.758) 5.941 10.626 ( 0.364 1.700 -0.796) 1.912 12.735 ( -0.091 1.955 0.047) 1.958 12.886 ( -0.338 1.016 -2.010) 2.278 13.147 ( 0.257 0.944 3.255) 3.399 13.608 ( -0.038 0.167 -1.284) 1.295 13.768 ( -0.531 -0.911 -1.050) 1.488 13.918 ( 0.164 5.868 -3.208) 6.690 ======================= Grid point 117 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.229 -4.110 -0.597) 4.160 0.931 ( 2.403 6.409 -1.299) 6.967 1.023 ( 2.738 1.739 -1.268) 3.483 1.129 ( -2.133 1.885 4.177) 5.055 1.354 ( 0.530 -2.757 -0.391) 2.835 1.469 ( -1.027 -1.090 -1.202) 1.920 1.745 ( -0.007 11.046 0.202) 11.048 1.860 ( -3.861 8.276 0.356) 9.139 1.948 ( -3.851 6.862 1.867) 8.087 2.109 ( 2.744 2.901 0.112) 3.994 2.142 ( -1.974 8.769 6.032) 10.825 2.356 ( -1.905 -1.283 -0.543) 2.360 2.559 ( 3.990 4.796 0.782) 6.288 2.739 ( 2.947 15.720 -1.193) 16.038 3.489 ( 1.947 5.822 10.096) 11.816 3.687 ( -1.658 8.155 -0.098) 8.323 3.798 ( -2.049 9.764 -0.685) 10.000 4.062 ( 0.264 6.203 0.452) 6.225 4.322 ( 1.342 5.336 -5.492) 7.774 4.479 ( -0.740 1.136 3.865) 4.096 4.750 ( -0.123 -3.039 -1.466) 3.376 5.337 ( 1.595 -8.986 -9.875) 13.446 7.317 ( -1.310 -8.087 8.950) 12.133 8.447 ( 1.203 -8.909 1.147) 9.063 8.625 ( 1.267 -5.797 -8.903) 10.699 9.251 ( 2.420 -0.133 -6.563) 6.996 9.582 ( -1.476 -3.731 4.462) 6.000 9.879 ( -1.047 0.698 -0.684) 1.433 10.351 ( 0.140 5.829 2.778) 6.458 10.610 ( 1.443 2.590 -0.833) 3.079 12.705 ( -0.662 1.904 0.563) 2.093 12.857 ( -1.129 1.035 -1.805) 2.367 13.155 ( 1.347 0.719 3.156) 3.506 13.603 ( -0.055 0.128 -1.315) 1.322 13.773 ( -0.328 -1.346 -1.663) 2.165 13.822 ( -0.934 6.888 -2.916) 7.538 ======================= Grid point 118 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.480 4.553 -4.119) 6.158 0.879 ( 0.375 1.888 1.745) 2.598 1.063 ( 3.555 0.705 -0.932) 3.743 1.088 ( 1.025 5.002 4.097) 6.546 1.336 ( -7.592 4.082 6.127) 10.575 1.399 ( -1.229 1.403 0.565) 1.949 1.620 ( -4.964 5.221 0.930) 7.264 1.669 ( -4.978 8.655 1.588) 10.110 1.730 ( -5.169 7.905 2.227) 9.704 2.115 ( 6.328 1.757 0.007) 6.567 2.169 ( 2.919 -0.582 5.453) 6.212 2.366 ( -0.570 -2.077 -0.518) 2.215 2.576 ( 4.119 3.367 -0.477) 5.341 2.641 ( 10.972 15.103 -3.151) 18.932 3.486 ( 5.450 5.826 7.984) 11.287 3.589 ( -1.850 3.120 1.785) 4.043 3.667 ( -0.072 7.318 -0.436) 7.332 3.994 ( 1.564 5.966 0.247) 6.172 4.275 ( 2.842 4.765 -5.599) 7.882 4.469 ( -0.426 0.621 3.685) 3.761 4.778 ( -0.695 -2.452 -0.984) 2.732 5.426 ( 0.277 -6.385 -11.432) 13.097 7.394 ( -4.118 -6.819 8.724) 11.814 8.569 ( 1.621 -5.646 -0.277) 5.880 8.707 ( 1.780 -7.316 -8.355) 11.247 9.214 ( -2.819 2.750 -2.863) 4.869 9.639 ( -0.122 -3.752 2.168) 4.335 9.860 ( -0.581 0.013 -0.105) 0.591 10.302 ( 1.776 4.393 2.210) 5.228 10.601 ( 2.485 2.747 -0.976) 3.831 12.676 ( -0.641 1.386 1.077) 1.868 12.828 ( -0.983 0.351 -1.234) 1.616 13.178 ( 1.793 0.467 2.501) 3.113 13.598 ( -0.063 0.244 -0.867) 0.903 13.719 ( -0.466 5.848 -2.560) 6.400 13.786 ( 0.122 -1.220 -1.891) 2.253 ======================= Grid point 123 (56/160) ======================= q-point: ( 0.44 -0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -4.979 0.000 4.426) 6.662 0.988 ( 1.263 -0.000 -2.181) 2.520 1.117 ( -1.003 0.000 -0.173) 1.018 1.206 ( 1.974 -0.000 -1.786) 2.662 1.291 ( -2.983 0.000 1.915) 3.545 1.395 ( -0.396 0.000 -0.185) 0.437 1.940 ( -1.767 0.000 1.288) 2.186 1.976 ( 4.003 -0.000 -1.320) 4.215 2.137 ( 2.718 -0.000 0.056) 2.718 2.316 ( 0.712 -0.000 -1.591) 1.743 2.417 ( -2.616 0.000 3.262) 4.181 2.420 ( 9.145 -0.000 -2.372) 9.447 2.672 ( -4.942 0.000 4.863) 6.933 3.203 ( 11.718 -0.000 -8.855) 14.687 3.659 ( -2.774 0.000 10.237) 10.607 4.086 ( 2.404 -0.000 0.095) 2.406 4.131 ( -2.482 0.000 -0.036) 2.482 4.175 ( 2.568 -0.000 0.871) 2.712 4.465 ( -0.961 0.000 2.781) 2.942 4.545 ( 4.372 -0.000 -0.357) 4.387 4.714 ( 0.142 -0.000 0.493) 0.513 4.943 ( -0.315 0.000 -10.727) 10.731 7.058 ( -3.414 0.000 9.360) 9.963 8.189 ( -4.363 0.000 3.283) 5.460 8.457 ( -3.299 0.000 -6.888) 7.637 9.069 ( 5.739 -0.000 -12.759) 13.991 9.616 ( -4.881 0.000 7.964) 9.341 9.930 ( 1.022 -0.000 -1.255) 1.618 10.516 ( 1.640 -0.000 0.836) 1.841 10.649 ( -0.447 0.000 -0.042) 0.449 12.772 ( 1.025 -0.000 -0.495) 1.139 12.911 ( 0.233 -0.000 -1.846) 1.860 13.162 ( -0.049 0.000 2.894) 2.894 13.615 ( 0.147 -0.000 -0.947) 0.958 13.765 ( -1.206 0.000 0.309) 1.245 14.020 ( 2.966 -0.000 -3.750) 4.782 ======================= Grid point 125 (57/160) ======================= q-point: (-0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -1.394 -3.676 4.099) 5.680 1.006 ( 2.577 0.473 -3.480) 4.357 1.086 ( -1.911 1.226 0.980) 2.473 1.217 ( -0.287 0.066 -0.857) 0.906 1.276 ( 0.164 0.017 1.948) 1.955 1.393 ( 0.021 -0.804 -1.338) 1.561 1.933 ( 0.701 0.437 1.703) 1.892 2.006 ( 1.397 1.186 -0.091) 1.835 2.133 ( -0.131 3.384 -0.475) 3.420 2.303 ( -0.806 2.508 -0.784) 2.749 2.371 ( -2.704 1.316 0.650) 3.077 2.500 ( 6.926 4.329 -2.009) 8.411 2.597 ( -6.206 -0.017 4.714) 7.793 3.258 ( 3.271 6.321 -6.747) 9.807 3.628 ( -2.439 2.458 9.574) 10.181 4.051 ( -1.174 6.115 0.399) 6.240 4.098 ( -0.643 2.563 -0.606) 2.711 4.191 ( -0.029 0.603 0.998) 1.166 4.440 ( -1.861 0.722 0.389) 2.034 4.566 ( 0.359 1.921 0.103) 1.957 4.690 ( -2.388 -0.559 -2.192) 3.290 5.005 ( 5.794 -4.653 -6.274) 9.726 7.067 ( -0.780 -2.912 9.597) 10.059 8.175 ( -1.813 -3.578 2.422) 4.685 8.443 ( 1.056 -2.598 -6.870) 7.420 9.134 ( 6.627 -0.980 -12.916) 14.550 9.566 ( -5.142 -0.347 8.621) 10.044 9.923 ( -0.919 0.433 -1.913) 2.166 10.524 ( 1.178 2.634 2.031) 3.528 10.645 ( -0.033 -0.048 -0.397) 0.402 12.772 ( -0.147 0.823 -0.576) 1.015 12.904 ( -0.331 0.337 -2.265) 2.313 13.167 ( 0.196 0.466 3.391) 3.428 13.612 ( -0.063 0.096 -1.214) 1.219 13.750 ( -1.047 -0.374 -0.495) 1.217 14.022 ( 0.479 2.192 -3.756) 4.375 ======================= Grid point 126 (58/160) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.667 -5.261 2.312) 5.785 1.030 ( 3.142 1.437 -3.968) 5.262 1.052 ( -0.785 0.858 0.932) 1.491 1.195 ( -0.199 2.677 0.990) 2.861 1.293 ( 0.204 -1.509 0.899) 1.769 1.415 ( 0.584 -2.318 -1.483) 2.813 1.933 ( 0.735 3.395 -0.540) 3.515 1.988 ( -1.853 1.778 2.783) 3.787 2.060 ( -1.687 4.885 0.248) 5.174 2.225 ( -0.810 5.578 -1.501) 5.833 2.330 ( -2.964 -0.496 -1.262) 3.259 2.424 ( -5.236 9.023 3.185) 10.907 2.583 ( 1.068 -0.561 1.638) 2.034 3.132 ( -0.669 11.996 -4.255) 12.745 3.579 ( -2.552 2.471 9.264) 9.922 3.928 ( -2.202 9.144 -0.122) 9.406 4.022 ( -1.365 6.941 -0.861) 7.126 4.168 ( -1.089 1.894 0.651) 2.280 4.404 ( -1.761 0.815 -2.139) 2.888 4.521 ( -2.020 2.286 1.612) 3.450 4.677 ( -1.484 -2.642 -2.318) 3.815 5.151 ( 7.164 -5.032 -5.739) 10.467 7.142 ( 0.434 -5.239 9.717) 11.048 8.240 ( 1.536 -6.590 0.702) 6.803 8.506 ( 3.713 -3.521 -7.003) 8.673 9.220 ( 6.050 -1.729 -11.189) 12.837 9.523 ( -4.285 -1.137 7.989) 9.137 9.891 ( -2.221 0.280 -1.760) 2.848 10.491 ( 0.337 4.845 2.475) 5.451 10.648 ( 0.758 0.358 -0.442) 0.948 12.748 ( -1.103 1.323 -0.212) 1.736 12.882 ( -1.058 0.776 -2.445) 2.775 13.173 ( 0.695 0.593 3.600) 3.715 13.606 ( -0.103 0.134 -1.413) 1.423 13.744 ( -0.645 -0.867 -1.320) 1.706 13.965 ( -1.648 4.121 -3.384) 5.582 ======================= Grid point 127 (59/160) ======================= q-point: (-0.22 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.286 -4.566 -0.415) 4.762 1.021 ( 0.785 3.468 -3.515) 5.000 1.058 ( 1.841 0.367 0.819) 2.049 1.162 ( 1.204 2.634 1.065) 3.085 1.314 ( -1.345 -2.216 1.563) 3.027 1.440 ( -0.969 -0.897 0.323) 1.359 1.848 ( -2.342 7.687 -1.654) 8.205 1.873 ( -7.469 6.518 1.666) 10.052 1.959 ( -8.140 8.204 2.338) 11.791 2.178 ( -2.172 3.304 5.717) 6.951 2.193 ( 0.422 4.897 -0.888) 4.995 2.328 ( -0.837 -0.001 -0.542) 0.997 2.591 ( -1.456 -0.417 1.726) 2.296 3.002 ( 5.334 10.509 -4.670) 12.677 3.543 ( -2.541 0.583 8.829) 9.206 3.773 ( -2.473 9.253 -1.107) 9.641 3.891 ( -1.876 9.125 -0.589) 9.334 4.120 ( -0.876 3.451 -0.079) 3.561 4.359 ( -1.251 1.386 -3.389) 3.869 4.484 ( -1.289 0.656 2.932) 3.269 4.699 ( -0.664 -3.632 -2.147) 4.271 5.292 ( 6.468 -3.626 -6.393) 9.791 7.233 ( -0.689 -5.383 9.650) 11.072 8.381 ( 4.619 -8.304 -0.541) 9.517 8.585 ( 3.914 -2.546 -7.708) 9.012 9.259 ( -0.061 0.706 -5.029) 5.079 9.537 ( 0.605 -3.696 3.222) 4.941 9.853 ( -2.506 -0.407 -0.909) 2.697 10.433 ( 0.242 5.440 2.230) 5.884 10.652 ( 1.164 1.043 -0.452) 1.627 12.711 ( -1.468 1.324 0.342) 2.006 12.846 ( -1.441 0.964 -2.129) 2.746 13.189 ( 1.240 0.318 3.257) 3.500 13.601 ( -0.007 0.097 -1.317) 1.320 13.748 ( -0.276 -1.173 -1.784) 2.153 13.868 ( -2.466 4.944 -2.834) 6.209 ======================= Grid point 128 (60/160) ======================= q-point: (-0.11 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.587 -1.851 -3.283) 3.814 0.928 ( -3.102 7.722 -0.320) 8.328 1.069 ( -0.117 0.110 0.738) 0.755 1.209 ( 5.372 -1.633 0.637) 5.651 1.298 ( -3.604 3.046 3.683) 5.986 1.391 ( -3.538 2.984 2.936) 5.481 1.546 ( -14.893 8.547 6.067) 18.211 1.726 ( -3.971 7.082 0.965) 8.176 1.756 ( -4.017 5.343 0.002) 6.684 2.196 ( 3.777 -1.186 2.008) 4.439 2.223 ( 4.173 0.282 -1.482) 4.437 2.322 ( -1.602 -1.498 -0.534) 2.258 2.573 ( -2.339 -0.879 2.714) 3.689 2.984 ( 9.595 8.878 -5.552) 14.202 3.524 ( -4.107 -1.615 7.787) 8.950 3.649 ( 0.462 6.295 -0.776) 6.359 3.767 ( 0.014 7.035 0.004) 7.035 4.068 ( 0.250 3.178 -0.259) 3.198 4.331 ( 0.708 1.314 -3.283) 3.606 4.469 ( -1.318 0.226 2.883) 3.178 4.732 ( -0.441 -3.237 -1.892) 3.775 5.386 ( 4.324 -1.164 -7.321) 8.582 7.290 ( -2.774 -4.050 8.981) 10.235 8.549 ( 4.886 -5.828 -0.281) 7.610 8.646 ( 2.907 -2.955 -8.404) 9.371 9.196 ( -3.637 2.601 -1.888) 4.854 9.603 ( 0.445 -2.937 1.215) 3.210 9.840 ( -0.525 -1.614 -0.408) 1.745 10.381 ( 0.819 4.192 1.761) 4.620 10.654 ( 1.306 1.236 -0.653) 1.913 12.680 ( -1.088 0.841 0.811) 1.597 12.815 ( -0.978 0.363 -1.505) 1.831 13.211 ( 1.163 0.235 2.471) 2.741 13.598 ( 0.089 0.095 -0.846) 0.855 13.744 ( -1.213 1.056 -1.765) 2.387 13.787 ( -0.127 1.759 -2.284) 2.886 ======================= Grid point 134 (61/160) ======================= q-point: (-0.44 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 2.003 -0.000 3.727) 4.231 1.042 ( 2.767 -0.000 -3.635) 4.568 1.065 ( -1.701 0.000 1.476) 2.252 1.217 ( 0.136 -0.000 -1.156) 1.164 1.295 ( 1.862 -0.000 1.458) 2.365 1.377 ( -1.022 0.000 -0.722) 1.251 1.957 ( 1.558 -0.000 2.063) 2.585 2.018 ( -1.282 0.000 0.016) 1.282 2.131 ( -2.821 0.000 -1.034) 3.005 2.302 ( -1.444 0.000 -1.491) 2.076 2.338 ( -3.042 0.000 0.351) 3.062 2.508 ( -7.191 0.000 3.258) 7.894 2.594 ( 3.718 -0.000 -0.873) 3.819 3.286 ( -3.657 0.000 -5.483) 6.591 3.617 ( -4.291 0.000 8.799) 9.790 4.066 ( -3.626 0.000 -0.460) 3.655 4.112 ( 1.665 -0.000 -0.519) 1.744 4.179 ( -2.548 0.000 0.966) 2.725 4.399 ( -4.090 0.000 -0.671) 4.145 4.563 ( -2.383 0.000 0.412) 2.419 4.634 ( -2.748 0.000 -3.190) 4.210 5.091 ( 10.239 -0.000 -3.310) 10.761 7.074 ( 1.381 -0.000 9.981) 10.076 8.151 ( 1.259 -0.000 0.668) 1.426 8.459 ( 5.455 -0.000 -6.096) 8.180 9.194 ( 6.626 -0.000 -12.863) 14.469 9.511 ( -5.004 0.000 9.050) 10.342 9.894 ( -2.666 0.000 -2.245) 3.485 10.566 ( 1.028 -0.000 2.707) 2.896 10.640 ( -0.032 0.000 -0.611) 0.612 12.765 ( -1.316 0.000 -0.544) 1.424 12.892 ( -0.813 0.000 -2.687) 2.807 13.181 ( 0.271 -0.000 3.776) 3.786 13.608 ( -0.139 0.000 -1.386) 1.393 13.733 ( -0.751 0.000 -1.218) 1.431 14.018 ( -1.893 0.000 -3.561) 4.033 ======================= Grid point 135 (62/160) ======================= q-point: (-0.33 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 3.679 -2.033 1.975) 4.644 1.033 ( -1.533 -0.143 1.208) 1.957 1.089 ( 3.764 0.798 -3.453) 5.169 1.208 ( -1.672 -0.469 -0.689) 1.869 1.308 ( 1.146 2.703 0.956) 3.087 1.387 ( 0.702 -2.861 -0.179) 2.951 1.957 ( -2.260 1.785 -0.937) 3.028 1.967 ( -4.694 1.237 1.272) 5.019 2.068 ( -2.853 2.018 -0.216) 3.502 2.269 ( -3.491 0.151 -0.948) 3.620 2.274 ( -1.417 3.836 -0.844) 4.175 2.413 ( -5.887 1.696 3.144) 6.886 2.605 ( -0.141 2.580 -0.109) 2.586 3.158 ( -8.188 2.527 -3.168) 9.136 3.557 ( -5.450 0.440 7.615) 9.375 3.966 ( -5.214 4.924 -0.576) 7.194 4.082 ( -2.773 5.212 0.313) 5.912 4.156 ( -0.364 -0.468 -0.502) 0.777 4.337 ( -5.666 -1.964 -2.204) 6.389 4.513 ( -2.609 1.408 1.497) 3.322 4.619 ( -0.738 -2.282 -2.628) 3.558 5.244 ( 10.958 -0.619 -2.814) 11.330 7.142 ( 2.875 -1.779 9.965) 10.523 8.216 ( 4.552 -3.839 -1.208) 6.076 8.551 ( 7.894 -0.510 -5.786) 9.801 9.254 ( 3.827 -0.573 -9.722) 10.464 9.476 ( -2.207 -1.052 6.679) 7.112 9.845 ( -3.619 -0.183 -1.813) 4.052 10.553 ( -0.172 3.591 2.582) 4.427 10.649 ( 0.157 -1.089 -0.359) 1.157 12.736 ( -2.061 0.527 -0.132) 2.132 12.868 ( -1.209 0.559 -2.871) 3.165 13.193 ( 0.314 0.030 3.875) 3.888 13.603 ( -0.053 0.063 -1.445) 1.448 13.726 ( -0.116 -0.472 -1.902) 1.963 13.957 ( -3.829 1.880 -2.937) 5.179 ======================= Grid point 136 (63/160) ======================= q-point: (-0.22 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 4.072 -2.120 -0.062) 4.592 1.025 ( -0.520 -0.223 -0.196) 0.599 1.113 ( 2.698 1.613 -2.793) 4.205 1.166 ( -4.178 0.285 -0.117) 4.189 1.293 ( -0.658 -0.085 2.273) 2.368 1.433 ( 1.614 -0.249 0.633) 1.752 1.815 ( -11.621 6.272 1.192) 13.259 1.862 ( -5.366 3.177 -1.706) 6.465 1.958 ( -7.446 9.047 1.486) 11.811 2.178 ( -2.417 0.524 3.597) 4.365 2.255 ( 1.577 2.053 -1.645) 3.067 2.321 ( -2.544 2.447 0.707) 3.600 2.541 ( -4.652 -0.119 0.023) 4.654 3.060 ( -3.898 -2.356 -2.661) 5.275 3.499 ( -5.244 -0.688 5.873) 7.904 3.815 ( -5.038 6.127 -0.842) 7.977 3.945 ( -5.434 6.002 0.984) 8.157 4.134 ( -1.433 2.237 -1.560) 3.081 4.294 ( -4.189 -3.942 -2.535) 6.286 4.477 ( -1.361 0.617 2.416) 2.841 4.648 ( 0.690 -2.914 -2.535) 3.923 5.387 ( 9.770 0.752 -3.131) 10.287 7.224 ( 2.531 -1.162 9.521) 9.920 8.363 ( 6.718 -6.686 -2.267) 9.746 8.648 ( 7.808 1.274 -6.150) 10.021 9.244 ( -2.530 1.167 -2.352) 3.646 9.523 ( 2.888 -3.000 0.306) 4.176 9.799 ( -3.097 -1.305 -0.852) 3.467 10.497 ( -1.017 4.467 2.146) 5.059 10.661 ( -0.183 -0.731 -0.244) 0.792 12.698 ( -2.089 0.571 0.383) 2.199 12.834 ( -1.254 0.914 -2.556) 2.990 13.208 ( 0.374 -0.337 3.452) 3.489 13.599 ( 0.116 0.062 -1.259) 1.266 13.732 ( 0.431 -0.697 -2.218) 2.364 13.861 ( -4.389 2.549 -2.163) 5.517 ======================= Grid point 137 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 3.916 -0.363 -1.632) 4.258 0.974 ( -4.004 7.816 -1.422) 8.897 1.058 ( -3.281 0.552 -0.992) 3.472 1.174 ( -0.380 -4.928 2.181) 5.403 1.286 ( -3.647 -0.640 3.770) 5.284 1.437 ( 0.444 2.120 1.149) 2.452 1.469 ( -13.619 12.689 5.690) 19.464 1.732 ( -6.675 3.442 0.162) 7.512 1.750 ( -4.900 6.231 0.909) 7.979 2.211 ( 0.649 -2.094 2.394) 3.246 2.258 ( 1.097 -1.320 -4.569) 4.880 2.289 ( -0.417 -0.464 -0.062) 0.627 2.506 ( -3.618 -3.224 0.841) 4.919 3.065 ( -1.569 -4.011 -2.548) 5.004 3.447 ( -5.322 -1.385 4.150) 6.890 3.693 ( -2.827 3.529 -0.091) 4.523 3.817 ( -3.383 3.588 1.571) 5.176 4.074 ( -2.832 0.634 -0.928) 3.047 4.300 ( -1.725 -3.755 -3.286) 5.280 4.460 ( -1.125 0.519 2.695) 2.966 4.691 ( 1.056 -2.476 -2.713) 3.822 5.476 ( 7.155 3.286 -3.844) 8.761 7.274 ( 1.219 0.674 8.503) 8.617 8.538 ( 5.727 -6.594 -1.755) 8.908 8.705 ( 6.349 3.419 -6.510) 9.715 9.170 ( -3.704 2.168 -1.345) 4.497 9.581 ( 0.365 -1.666 0.065) 1.707 9.807 ( 0.399 -3.211 -0.536) 3.279 10.431 ( -1.456 3.477 1.903) 4.223 10.662 ( -0.595 -0.544 -0.496) 0.946 12.670 ( -1.375 0.122 0.750) 1.571 12.805 ( -0.587 0.477 -1.870) 2.018 13.223 ( -0.120 -0.387 2.616) 2.647 13.599 ( 0.236 0.047 -0.812) 0.847 13.732 ( -0.926 0.396 -1.840) 2.098 13.787 ( -1.333 0.362 -1.794) 2.264 ======================= Grid point 144 (65/160) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 4.922 -0.000 1.104) 5.045 1.014 ( -1.126 0.000 1.341) 1.751 1.148 ( -5.384 0.000 0.010) 5.384 1.149 ( 4.524 -0.000 -4.527) 6.400 1.312 ( -3.664 0.000 1.970) 4.160 1.418 ( 5.761 -0.000 -0.638) 5.796 1.882 ( -8.146 0.000 0.514) 8.162 1.901 ( -7.167 0.000 -2.152) 7.483 2.051 ( -0.682 0.000 -1.820) 1.944 2.202 ( -6.741 0.000 1.175) 6.843 2.283 ( -0.964 0.000 -0.677) 1.177 2.357 ( -2.497 0.000 1.043) 2.706 2.624 ( -1.511 0.000 -0.335) 1.548 2.967 ( -17.826 0.000 0.595) 17.836 3.487 ( -5.982 0.000 5.578) 8.179 3.908 ( -7.055 0.000 -0.227) 7.059 4.025 ( -8.110 0.000 0.917) 8.162 4.172 ( -0.378 0.000 -1.876) 1.913 4.217 ( -6.018 0.000 -3.028) 6.737 4.491 ( -2.159 0.000 2.476) 3.285 4.603 ( 1.362 -0.000 -2.328) 2.697 5.400 ( 11.493 -0.000 -1.984) 11.663 7.214 ( 5.218 -0.000 9.760) 11.067 8.270 ( 7.196 -0.000 -2.891) 7.755 8.669 ( 10.020 -0.000 -5.168) 11.274 9.257 ( -1.252 0.000 -3.744) 3.948 9.480 ( 2.955 -0.000 0.899) 3.088 9.782 ( -4.304 0.000 -1.158) 4.458 10.574 ( -1.801 0.000 3.358) 3.811 10.632 ( -0.580 0.000 -1.109) 1.251 12.706 ( -2.476 0.000 0.242) 2.487 12.848 ( -1.221 0.000 -3.150) 3.379 13.202 ( -0.146 0.000 3.982) 3.985 13.600 ( 0.108 -0.000 -1.402) 1.406 13.723 ( 0.743 -0.000 -2.444) 2.554 13.895 ( -5.581 0.000 -2.090) 5.959 ======================= Grid point 145 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 4.937 -1.059 0.100) 5.050 1.011 ( -0.849 -0.631 -0.002) 1.058 1.059 ( -7.432 -1.650 0.368) 7.622 1.170 ( 0.651 2.372 -5.861) 6.356 1.275 ( -1.703 -0.069 4.969) 5.254 1.482 ( 3.142 1.161 0.112) 3.352 1.720 ( -11.506 4.817 0.167) 12.475 1.778 ( -8.658 0.328 -1.873) 8.865 1.982 ( -5.383 8.612 0.275) 10.160 2.128 ( -2.561 -3.725 0.862) 4.602 2.265 ( -1.539 -0.419 -0.990) 1.878 2.323 ( -2.664 3.693 1.381) 4.758 2.483 ( -7.689 5.414 -0.692) 9.430 2.824 ( -13.714 -13.770 1.617) 19.502 3.424 ( -4.900 -0.471 3.719) 6.169 3.783 ( -7.158 2.590 -0.135) 7.614 3.888 ( -8.861 1.980 1.043) 9.139 4.080 ( -8.341 -1.332 -2.101) 8.704 4.206 ( -0.138 -1.433 -3.777) 4.042 4.471 ( -1.209 0.291 2.969) 3.219 4.638 ( 2.516 -1.499 -2.241) 3.688 5.542 ( 10.016 1.513 -2.310) 10.390 7.309 ( 5.683 1.307 9.195) 10.889 8.400 ( 8.517 -3.395 -3.696) 9.886 8.786 ( 9.313 2.153 -5.311) 10.935 9.208 ( -3.806 0.805 0.110) 3.891 9.548 ( 4.607 -0.795 -2.442) 5.275 9.733 ( -3.036 -1.916 -0.148) 3.593 10.520 ( -3.298 2.987 2.685) 5.197 10.630 ( -1.601 -1.724 -0.682) 2.449 12.672 ( -2.174 0.068 0.659) 2.273 12.821 ( -0.993 0.501 -2.918) 3.122 13.209 ( -0.472 -0.459 3.601) 3.661 13.600 ( 0.279 0.028 -1.227) 1.258 13.734 ( 1.253 -0.079 -2.645) 2.928 13.802 ( -5.891 0.461 -1.236) 6.037 ======================= Grid point 146 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 5.518 -1.352 -0.850) 5.745 0.943 ( -8.804 -3.013 -0.436) 9.316 0.998 ( -5.830 5.266 0.337) 7.864 1.140 ( 0.172 -1.759 -1.687) 2.443 1.235 ( -5.634 3.382 4.901) 8.197 1.401 ( -9.149 8.210 3.484) 12.777 1.506 ( -3.264 3.175 1.039) 4.670 1.654 ( -5.827 -0.155 -1.322) 5.978 1.772 ( -5.745 8.302 2.739) 10.460 2.177 ( -1.460 -2.777 2.416) 3.960 2.194 ( -7.866 -0.303 -1.081) 7.946 2.274 ( 2.204 -4.228 -4.524) 6.573 2.432 ( -0.698 -1.993 -0.140) 2.117 2.837 ( -12.129 -14.939 1.924) 19.339 3.372 ( -4.189 -0.488 2.280) 4.794 3.663 ( -5.887 1.594 0.270) 6.105 3.764 ( -6.791 -0.750 2.018) 7.124 3.990 ( -6.985 -2.507 -0.961) 7.484 4.214 ( -1.660 -3.398 -5.549) 6.715 4.460 ( -0.676 0.378 2.877) 2.980 4.691 ( 2.934 -1.243 -2.542) 4.076 5.623 ( 7.156 4.224 -3.323) 8.949 7.371 ( 4.787 3.970 8.120) 10.228 8.556 ( 6.984 -3.864 -2.828) 8.468 8.845 ( 6.661 4.762 -5.503) 9.866 9.143 ( -2.824 1.475 -0.922) 3.317 9.578 ( 0.613 0.601 -0.615) 1.056 9.772 ( 1.824 -4.521 -0.427) 4.893 10.432 ( -4.400 2.603 2.437) 5.664 10.623 ( -2.305 -1.937 -0.694) 3.089 12.650 ( -1.290 -0.338 0.918) 1.619 12.800 ( -0.240 0.272 -2.204) 2.233 13.212 ( -1.175 -0.541 2.816) 3.099 13.602 ( 0.341 0.030 -0.892) 0.956 13.705 ( -3.872 0.062 -1.054) 4.013 13.768 ( 0.881 -0.944 -2.205) 2.555 ======================= Grid point 154 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.529 0.000 1.087) 1.209 0.927 ( -6.408 0.000 -1.803) 6.657 0.995 ( -1.393 0.000 0.203) 1.407 1.142 ( -4.055 0.000 -2.741) 4.894 1.297 ( 1.744 -0.000 3.310) 3.741 1.510 ( -2.380 0.000 1.702) 2.926 1.611 ( -9.342 0.000 -0.680) 9.367 1.641 ( -7.649 0.000 -3.035) 8.229 1.954 ( -10.301 0.000 4.646) 11.301 2.092 ( 4.605 -0.000 -4.443) 6.399 2.210 ( -5.146 0.000 -1.716) 5.425 2.336 ( -24.775 0.000 7.157) 25.788 2.351 ( -0.147 0.000 1.605) 1.612 2.509 ( -5.369 0.000 -0.777) 5.425 3.372 ( -3.332 0.000 2.307) 4.053 3.683 ( -8.403 0.000 0.569) 8.422 3.770 ( -9.824 0.000 0.820) 9.859 3.931 ( -8.747 0.000 -2.659) 9.142 4.180 ( -1.809 0.000 -5.222) 5.527 4.465 ( -0.870 0.000 3.125) 3.243 4.670 ( 3.841 -0.000 -2.330) 4.492 5.679 ( 8.269 -0.000 -3.079) 8.824 7.430 ( 6.505 -0.000 8.958) 11.071 8.499 ( 9.373 -0.000 -4.495) 10.396 8.911 ( 7.327 -0.000 -5.363) 9.080 9.162 ( -3.449 0.000 0.908) 3.566 9.620 ( 5.888 -0.000 -3.486) 6.843 9.675 ( -2.280 0.000 1.255) 2.602 10.483 ( -5.646 0.000 3.299) 6.539 10.583 ( -2.583 0.000 -1.353) 2.916 12.646 ( -1.688 0.000 0.970) 1.947 12.806 ( -0.667 0.000 -2.804) 2.883 13.203 ( -0.939 0.000 3.346) 3.476 13.602 ( 0.377 -0.000 -1.181) 1.240 13.709 ( -6.686 0.000 -0.339) 6.695 13.753 ( 2.116 -0.000 -2.955) 3.635 ======================= Grid point 155 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -12.274 -4.730 2.143) 13.327 0.921 ( -0.057 0.901 0.131) 0.913 0.952 ( -4.215 0.644 1.181) 4.424 1.077 ( -6.426 -0.456 1.063) 6.530 1.260 ( -1.864 6.525 0.307) 6.792 1.383 ( -11.209 3.394 3.791) 12.309 1.470 ( -1.990 4.227 -0.298) 4.681 1.588 ( -1.590 -1.428 -2.154) 3.034 1.777 ( -8.328 5.495 4.319) 10.873 1.984 ( -18.024 -6.087 3.446) 19.333 2.138 ( -2.621 0.212 4.714) 5.398 2.254 ( 5.729 -4.265 -7.262) 10.186 2.404 ( -2.740 -8.010 2.304) 8.774 2.478 ( -7.219 -6.175 1.098) 9.563 3.325 ( -3.602 0.838 1.467) 3.979 3.572 ( -8.193 -0.115 0.545) 8.212 3.636 ( -8.579 -1.973 1.631) 8.953 3.839 ( -6.885 -3.790 -2.316) 8.194 4.135 ( -3.678 -1.620 -7.438) 8.455 4.461 ( -0.547 0.064 2.732) 2.787 4.728 ( 4.424 -0.417 -2.711) 5.206 5.751 ( 5.358 2.799 -4.719) 7.669 7.515 ( 5.448 3.353 8.348) 10.518 8.625 ( 7.912 -0.977 -3.572) 8.736 8.955 ( 2.982 3.052 -5.580) 7.025 9.124 ( -1.246 0.098 -0.589) 1.382 9.624 ( 2.423 3.592 -0.016) 4.333 9.747 ( 3.385 -5.007 -0.583) 6.072 10.385 ( -6.882 1.748 3.070) 7.736 10.553 ( -3.269 -2.107 -1.144) 4.054 12.632 ( -0.878 -0.366 1.161) 1.501 12.795 ( -0.034 -0.095 -2.142) 2.145 13.195 ( -1.469 -0.070 2.761) 3.128 13.605 ( 0.271 0.021 -0.801) 0.846 13.625 ( -5.407 -1.215 -0.332) 5.552 13.780 ( 2.119 -0.214 -2.903) 3.601 ======================= Grid point 164 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -12.326 0.000 8.174) 14.790 0.817 ( -15.097 0.000 7.498) 16.857 0.976 ( 3.367 -0.000 -1.260) 3.595 0.983 ( -5.858 0.000 0.695) 5.899 1.173 ( -21.809 0.000 10.158) 24.058 1.307 ( 1.904 -0.000 -2.302) 2.987 1.543 ( 4.391 -0.000 -1.530) 4.650 1.552 ( -2.686 0.000 -2.047) 3.377 1.600 ( -18.125 0.000 5.700) 19.000 1.710 ( -7.729 0.000 3.877) 8.647 2.143 ( 1.405 -0.000 14.107) 14.177 2.231 ( -6.951 0.000 0.852) 7.003 2.328 ( 9.093 -0.000 -8.410) 12.386 2.468 ( 1.379 -0.000 0.751) 1.570 3.281 ( -5.385 0.000 0.115) 5.386 3.448 ( -8.344 0.000 0.374) 8.352 3.495 ( -8.927 0.000 1.890) 9.125 3.714 ( -5.140 0.000 -5.976) 7.882 4.029 ( -7.090 0.000 -8.439) 11.023 4.460 ( -0.336 0.000 2.300) 2.324 4.786 ( 4.730 -0.000 -2.928) 5.563 5.815 ( 2.736 -0.000 -7.007) 7.522 7.623 ( 3.743 -0.000 8.484) 9.274 8.724 ( 7.027 -0.000 -2.822) 7.572 8.981 ( -0.109 0.000 -6.726) 6.727 9.105 ( -0.559 0.000 -0.845) 1.013 9.719 ( 4.699 -0.000 1.908) 5.072 9.751 ( 3.996 -0.000 -1.708) 4.346 10.297 ( -8.004 0.000 3.365) 8.683 10.488 ( -3.159 0.000 -1.418) 3.463 12.623 ( -0.374 0.000 1.348) 1.399 12.790 ( 0.281 -0.000 -1.567) 1.592 13.182 ( -1.246 0.000 2.644) 2.923 13.539 ( -4.920 0.000 0.357) 4.933 13.607 ( 0.270 -0.000 -1.387) 1.413 13.802 ( 2.033 -0.000 -3.117) 3.722 ======================= Grid point 165 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -5.777 0.000 13.061) 14.281 0.721 ( -8.558 0.000 16.200) 18.321 0.918 ( 0.305 -0.000 0.387) 0.493 1.034 ( 1.766 -0.000 0.203) 1.778 1.104 ( -3.002 0.000 16.094) 16.372 1.299 ( 2.429 -0.000 -4.797) 5.377 1.399 ( -3.319 0.000 4.201) 5.354 1.509 ( 1.059 -0.000 -0.892) 1.385 1.524 ( -4.850 0.000 0.228) 4.855 1.754 ( 7.709 -0.000 0.197) 7.712 2.089 ( -4.525 0.000 1.213) 4.685 2.394 ( 7.786 -0.000 -6.632) 10.227 2.499 ( -1.003 0.000 0.701) 1.224 2.627 ( -5.779 0.000 -2.590) 6.333 3.185 ( 13.118 -0.000 1.134) 13.167 3.226 ( -2.970 0.000 -1.876) 3.513 3.415 ( -1.267 0.000 2.941) 3.203 3.564 ( 4.715 -0.000 -1.379) 4.913 3.996 ( -0.269 0.000 16.299) 16.302 4.545 ( -0.295 0.000 6.653) 6.659 4.807 ( 2.757 -0.000 -4.714) 5.461 5.460 ( -3.646 0.000 -20.680) 20.999 7.896 ( -3.011 0.000 12.827) 13.176 8.744 ( 3.230 -0.000 -13.574) 13.953 8.841 ( -0.109 0.000 2.406) 2.409 9.040 ( -0.089 0.000 -3.464) 3.465 9.834 ( 1.935 -0.000 0.438) 1.984 9.844 ( -0.348 0.000 -0.005) 0.348 10.191 ( -2.605 0.000 4.729) 5.399 10.396 ( 0.670 -0.000 -2.346) 2.440 12.671 ( 0.059 -0.000 2.677) 2.678 12.792 ( 1.095 -0.000 -0.960) 1.456 13.234 ( -0.863 0.000 2.370) 2.522 13.433 ( -0.253 0.000 -2.232) 2.246 13.579 ( -0.593 0.000 -0.392) 0.711 13.758 ( 1.595 -0.000 -4.496) 4.770 ======================= Grid point 166 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 1.236 -3.111 8.702) 9.324 0.721 ( -2.165 -4.973 13.239) 14.307 0.927 ( 1.157 -0.070 0.406) 1.228 1.075 ( 1.220 -2.437 -0.006) 2.725 1.217 ( 4.169 -7.410 11.908) 14.631 1.332 ( 5.128 -1.309 -4.343) 6.846 1.430 ( -0.305 -2.778 1.593) 3.217 1.479 ( -1.981 -2.595 -0.536) 3.309 1.539 ( 3.699 -0.921 0.469) 3.841 1.849 ( -0.564 -4.891 4.111) 6.414 2.074 ( 5.200 1.643 -1.863) 5.762 2.438 ( -4.093 4.449 2.418) 6.511 2.490 ( 2.158 -0.863 -2.305) 3.273 2.505 ( -3.061 -1.101 0.109) 3.255 3.241 ( 5.589 -1.359 -0.930) 5.826 3.352 ( 8.048 1.165 -1.396) 8.251 3.571 ( 7.617 -10.621 -3.915) 13.643 3.680 ( 7.553 -6.646 -4.068) 10.852 4.034 ( 0.684 1.049 18.712) 18.754 4.560 ( -0.099 -0.046 8.044) 8.045 4.815 ( 0.499 0.909 -3.895) 4.030 5.342 ( -4.008 2.009 -22.345) 22.790 7.844 ( -5.359 2.849 12.255) 13.676 8.699 ( -1.020 3.775 -9.940) 10.681 8.845 ( 1.997 3.405 -0.767) 4.021 9.045 ( -1.052 -2.847 -3.784) 4.851 9.801 ( -3.964 1.034 0.412) 4.117 9.847 ( 1.026 0.530 0.314) 1.197 10.216 ( 2.148 -1.717 4.394) 5.184 10.429 ( 2.934 -1.707 -1.942) 3.910 12.679 ( -0.037 -0.298 2.560) 2.578 12.805 ( 0.834 -0.039 -1.339) 1.578 13.219 ( -0.747 0.746 2.392) 2.614 13.460 ( 1.618 -3.005 -2.140) 4.028 13.574 ( -0.090 -0.129 -0.812) 0.827 13.768 ( 1.329 0.256 -3.798) 4.032 ======================= Grid point 167 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 1.424 2.141 2.922) 3.892 0.829 ( 2.123 -6.910 6.410) 9.661 0.972 ( 2.544 -3.018 0.687) 4.007 1.114 ( -0.423 -1.960 2.276) 3.034 1.332 ( 2.211 -2.554 1.475) 3.685 1.406 ( -2.462 0.648 1.932) 3.196 1.469 ( 1.982 -6.888 0.578) 7.190 1.533 ( 4.430 -0.853 -3.705) 5.838 1.640 ( -0.041 -4.174 3.930) 5.733 1.961 ( 3.907 -13.793 2.642) 14.577 2.181 ( 11.838 0.899 -4.343) 12.641 2.355 ( -0.876 2.044 4.034) 4.607 2.429 ( -3.581 1.304 0.563) 3.852 2.583 ( 2.531 -3.614 0.711) 4.469 3.376 ( 8.443 -2.443 -0.804) 8.826 3.464 ( 6.252 -3.800 -0.406) 7.327 3.752 ( 6.224 -4.907 0.376) 7.935 3.891 ( 5.604 -9.280 -3.704) 11.456 4.066 ( 2.152 1.980 12.960) 13.286 4.570 ( -0.916 0.651 7.698) 7.780 4.790 ( -0.680 1.149 -2.769) 3.074 5.218 ( -2.487 1.700 -21.099) 21.313 7.737 ( -6.826 4.240 11.910) 14.367 8.602 ( -1.523 4.798 -9.161) 10.453 8.802 ( 1.286 6.325 -1.413) 6.607 9.051 ( -2.738 -3.566 -4.359) 6.262 9.739 ( -2.723 1.072 0.817) 3.039 9.855 ( 0.318 -0.175 0.166) 0.399 10.286 ( 2.911 -1.665 3.491) 4.841 10.503 ( 3.925 -2.472 -1.518) 4.880 12.687 ( -0.247 -0.400 2.190) 2.240 12.807 ( 0.375 0.521 -1.696) 1.813 13.218 ( 0.083 -0.485 3.028) 3.068 13.532 ( 2.922 -3.787 -2.992) 5.642 13.575 ( 0.070 -0.327 -0.531) 0.628 13.771 ( 1.025 0.786 -2.754) 3.042 ======================= Grid point 168 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -0.980 2.344 -0.951) 2.713 0.932 ( 3.169 -1.384 2.956) 4.549 1.076 ( 2.182 -4.623 2.511) 5.695 1.127 ( -0.752 -2.921 3.968) 4.984 1.361 ( -2.018 0.174 -0.885) 2.210 1.385 ( 0.991 0.164 3.114) 3.272 1.505 ( -3.955 -2.213 -1.385) 4.739 1.590 ( -0.512 -2.559 1.907) 3.232 1.666 ( -0.509 -3.544 2.472) 4.351 2.172 ( 7.958 -0.983 -2.397) 8.369 2.272 ( 0.086 -0.384 1.122) 1.189 2.368 ( -2.576 1.557 0.310) 3.026 2.512 ( 13.211 -11.429 -4.906) 18.144 2.665 ( 2.801 -3.634 4.203) 6.222 3.490 ( 4.423 -1.064 -2.114) 5.016 3.620 ( 6.669 -4.979 0.600) 8.344 3.859 ( 1.579 0.737 9.633) 9.789 4.007 ( 2.297 -2.185 5.361) 6.229 4.144 ( 5.132 -4.052 -4.000) 7.665 4.545 ( -2.450 1.147 4.664) 5.392 4.756 ( -0.900 2.063 -3.209) 3.920 5.163 ( 0.890 -1.913 -14.652) 14.803 7.607 ( -7.266 4.180 12.097) 14.717 8.511 ( -0.480 3.406 -9.672) 10.265 8.733 ( 1.464 6.617 -1.040) 6.856 9.040 ( -3.783 -3.674 -4.766) 7.108 9.699 ( -1.312 1.413 1.159) 2.250 9.859 ( 0.100 -0.010 -0.016) 0.102 10.350 ( 2.334 -1.514 2.672) 3.857 10.584 ( 3.288 -2.223 -1.251) 4.161 12.691 ( -0.391 -0.289 1.669) 1.738 12.797 ( 0.166 1.018 -1.758) 2.038 13.242 ( 0.308 -1.426 3.360) 3.663 13.576 ( 1.009 0.408 -2.059) 2.329 13.617 ( 2.143 -3.768 -1.773) 4.683 13.766 ( 0.885 1.254 -1.897) 2.440 ======================= Grid point 169 (75/160) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -1.528 -0.876 -3.095) 3.561 0.979 ( 3.528 2.198 3.440) 5.395 1.080 ( -1.481 1.190 3.392) 3.888 1.236 ( -1.873 -9.527 4.292) 10.615 1.319 ( -2.445 0.772 0.306) 2.582 1.379 ( -2.194 1.011 2.725) 3.641 1.455 ( -2.499 0.661 0.383) 2.613 1.611 ( -2.796 -4.346 1.194) 5.304 1.703 ( 0.541 -0.430 0.857) 1.101 2.241 ( 6.341 3.975 -4.851) 8.919 2.270 ( -1.577 -0.936 2.059) 2.757 2.320 ( -1.355 1.488 0.655) 2.116 2.642 ( -1.165 0.909 3.431) 3.736 2.887 ( 10.185 -9.109 -5.339) 14.671 3.515 ( -0.143 1.161 -1.629) 2.005 3.737 ( 2.675 -0.897 1.638) 3.263 3.843 ( -0.434 2.895 12.625) 12.960 4.076 ( 3.118 0.077 0.917) 3.251 4.237 ( 1.917 -2.793 -4.632) 5.738 4.508 ( -2.429 0.089 2.969) 3.837 4.695 ( -0.999 3.314 -4.977) 6.062 5.225 ( 3.573 -5.885 -8.759) 11.141 7.498 ( -5.623 1.925 12.539) 13.876 8.477 ( 2.372 0.238 -11.331) 11.579 8.684 ( 2.021 4.674 0.772) 5.151 9.018 ( -4.101 -3.552 -5.234) 7.538 9.666 ( -0.741 1.993 1.646) 2.688 9.858 ( 0.404 0.792 -0.088) 0.893 10.400 ( 1.173 -1.422 1.909) 2.654 10.637 ( 1.327 -1.001 -1.093) 1.989 12.690 ( -0.427 0.013 1.303) 1.371 12.783 ( 0.392 1.124 -1.711) 2.085 13.268 ( -0.498 -1.405 3.668) 3.959 13.579 ( 0.749 0.543 -1.957) 2.165 13.673 ( 1.156 -1.662 -1.849) 2.742 13.760 ( 1.120 1.169 -1.726) 2.366 ======================= Grid point 170 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.425 -6.172 -3.799) 7.260 0.998 ( 3.243 3.731 5.183) 7.162 1.041 ( -2.097 2.367 2.006) 3.744 1.233 ( -10.634 -4.594 5.765) 12.939 1.278 ( -0.957 3.387 -0.138) 3.522 1.343 ( -4.629 -1.094 2.248) 5.261 1.451 ( 0.524 -1.938 1.439) 2.471 1.631 ( -2.674 -4.760 1.066) 5.563 1.691 ( 0.219 2.949 0.563) 3.010 2.218 ( -0.827 4.462 -2.260) 5.069 2.260 ( -2.442 -1.122 2.834) 3.906 2.313 ( 3.787 2.676 -2.103) 5.091 2.569 ( -3.088 5.586 2.905) 7.013 3.012 ( 0.884 1.062 -4.877) 5.070 3.468 ( -2.291 2.525 1.273) 3.639 3.718 ( -2.393 3.423 3.909) 5.720 3.855 ( 0.308 0.954 7.044) 7.115 4.070 ( -0.896 3.946 0.847) 4.134 4.219 ( -2.814 3.160 -4.757) 6.367 4.499 ( -0.718 -1.220 2.937) 3.260 4.650 ( 0.873 1.322 -4.784) 5.039 5.346 ( 3.638 -7.290 -8.579) 11.832 7.476 ( -1.618 -2.618 12.522) 12.895 8.513 ( 4.633 -1.074 -12.410) 13.290 8.688 ( 2.986 0.269 2.269) 3.760 8.995 ( -3.475 -3.555 -5.640) 7.518 9.636 ( -0.171 2.177 2.138) 3.056 9.852 ( 0.925 1.543 0.039) 1.799 10.422 ( -0.768 -0.849 1.572) 1.945 10.638 ( -1.050 0.696 -1.140) 1.699 12.685 ( -0.391 0.371 1.353) 1.456 12.774 ( 0.851 1.027 -1.694) 2.156 13.276 ( -1.783 -0.913 4.133) 4.593 13.574 ( 0.520 0.923 -2.806) 3.000 13.684 ( -0.030 0.167 -1.195) 1.207 13.758 ( 0.950 1.218 -1.973) 2.505 ======================= Grid point 171 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.001 -7.494 -3.084) 8.104 0.963 ( -2.904 4.656 4.459) 7.071 1.004 ( 3.221 4.335 3.749) 6.574 1.138 ( -11.135 -3.400 6.144) 13.164 1.221 ( 1.318 6.282 -0.496) 6.437 1.286 ( -6.855 -4.723 1.639) 8.484 1.466 ( -2.554 -1.025 1.957) 3.377 1.634 ( -0.885 2.184 -0.700) 2.458 1.681 ( -0.600 -2.950 2.570) 3.958 2.102 ( -6.976 4.839 -0.297) 8.495 2.247 ( -1.434 -0.327 4.209) 4.458 2.323 ( 5.354 5.251 -3.376) 8.225 2.477 ( -0.515 3.761 1.009) 3.927 2.867 ( -8.555 11.323 -1.033) 14.229 3.408 ( -2.388 2.244 3.633) 4.893 3.611 ( -6.732 4.287 1.780) 8.178 3.828 ( -1.620 5.027 6.567) 8.427 3.956 ( -5.843 6.302 0.381) 8.602 4.098 ( -3.248 5.408 -4.614) 7.815 4.517 ( -0.255 -0.994 3.760) 3.897 4.662 ( 2.835 -0.303 -4.731) 5.523 5.457 ( 2.153 -6.938 -11.311) 13.442 7.571 ( 2.237 -6.811 12.283) 14.222 8.555 ( 4.423 0.363 -10.643) 11.532 8.769 ( 3.044 -4.160 0.782) 5.214 8.995 ( -0.864 -3.835 -6.054) 7.218 9.624 ( 1.145 1.274 2.419) 2.964 9.846 ( 1.396 2.031 0.263) 2.479 10.402 ( -3.288 0.051 1.964) 3.830 10.588 ( -2.777 2.206 -1.500) 3.851 12.677 ( -0.300 0.604 1.754) 1.880 12.773 ( 1.198 0.952 -1.600) 2.214 13.261 ( -2.700 -0.560 4.557) 5.326 13.557 ( 0.278 1.378 -4.361) 4.582 13.668 ( -1.204 0.907 0.103) 1.511 13.746 ( 0.802 1.592 -2.587) 3.142 ======================= Grid point 172 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -3.810 2.116 4.546) 6.297 0.901 ( -4.380 0.399 6.691) 8.007 1.003 ( 2.031 3.454 2.642) 4.799 1.031 ( -8.452 -0.927 5.301) 10.019 1.184 ( 0.555 -0.517 -1.727) 1.886 1.291 ( -2.183 -3.264 0.095) 3.927 1.433 ( -1.437 -0.041 1.446) 2.039 1.594 ( 1.533 4.059 -0.963) 4.444 1.696 ( -5.036 -3.290 2.978) 6.712 1.906 ( -10.854 5.855 0.786) 12.358 2.249 ( 2.846 3.183 1.181) 4.430 2.343 ( 5.616 1.941 1.396) 6.104 2.467 ( 1.235 -0.098 0.265) 1.267 2.537 ( -11.404 14.468 3.189) 18.696 3.352 ( -4.985 1.927 6.117) 8.123 3.446 ( -7.879 3.405 -1.597) 8.731 3.694 ( -4.877 9.373 3.661) 11.182 3.771 ( -5.534 9.759 -3.366) 11.713 4.005 ( -2.333 2.204 2.360) 3.984 4.530 ( -0.416 -0.388 4.652) 4.687 4.708 ( 4.011 -0.650 -4.919) 6.380 5.523 ( 0.074 -5.382 -14.756) 15.707 7.734 ( 2.890 -7.410 12.640) 14.934 8.598 ( 5.174 -0.649 -10.936) 12.115 8.838 ( -0.795 -3.580 0.702) 3.734 9.037 ( 2.051 -2.341 -5.934) 6.701 9.660 ( 3.497 -1.461 2.020) 4.295 9.842 ( 1.724 2.229 0.433) 2.851 10.341 ( -5.365 0.481 2.818) 6.079 10.506 ( -3.238 3.080 -2.014) 4.901 12.670 ( -0.179 0.619 2.227) 2.318 12.776 ( 1.248 0.854 -1.308) 1.999 13.241 ( -2.541 -0.735 4.543) 5.257 13.525 ( -0.301 2.162 -5.434) 5.856 13.629 ( -2.221 1.250 1.736) 3.083 13.738 ( 1.426 0.864 -3.820) 4.168 ======================= Grid point 173 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.981 3.575 10.471) 11.108 0.815 ( -11.189 -2.228 13.216) 17.459 0.938 ( -3.374 0.492 1.508) 3.729 1.019 ( 2.373 2.018 0.437) 3.146 1.199 ( -5.480 0.298 5.631) 7.862 1.262 ( 0.869 0.517 -0.114) 1.017 1.473 ( 1.668 -3.196 -2.877) 4.612 1.542 ( -5.168 5.475 3.554) 8.325 1.615 ( -7.378 2.495 2.638) 8.223 1.703 ( -1.455 4.033 0.090) 4.288 2.188 ( -6.777 3.719 3.492) 8.483 2.328 ( 7.027 6.003 -6.246) 11.154 2.488 ( 1.084 -2.280 0.675) 2.614 2.516 ( 7.948 -5.748 4.077) 10.623 3.202 ( -9.954 3.315 5.116) 11.672 3.332 ( -5.523 2.482 -1.662) 6.279 3.530 ( -3.565 9.704 2.019) 10.533 3.567 ( -0.705 7.453 -3.641) 8.325 3.979 ( -1.359 0.369 10.345) 10.441 4.537 ( -0.417 -0.048 5.522) 5.538 4.764 ( 4.107 -0.565 -5.033) 6.520 5.526 ( -2.042 -2.864 -17.987) 18.327 7.863 ( 0.231 -4.118 13.121) 13.754 8.675 ( 6.459 -2.248 -12.656) 14.386 8.850 ( -2.465 -2.034 1.500) 3.531 9.056 ( 0.908 0.976 -4.479) 4.673 9.759 ( 4.484 -3.404 0.935) 5.707 9.841 ( 1.721 1.884 0.403) 2.583 10.258 ( -6.041 0.740 3.750) 7.148 10.425 ( -1.916 2.322 -2.397) 3.848 12.667 ( -0.036 0.383 2.560) 2.588 12.781 ( 1.164 0.496 -0.971) 1.595 13.233 ( -1.407 -1.073 3.745) 4.142 13.471 ( -1.174 2.508 -3.902) 4.784 13.594 ( -1.427 0.446 0.845) 1.717 13.745 ( 1.674 0.196 -4.516) 4.820 ======================= Grid point 175 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 6.693 -0.000 5.314) 8.546 0.791 ( 8.079 -0.000 8.878) 12.003 0.937 ( 0.486 -0.000 -0.601) 0.772 1.066 ( -0.043 0.000 -0.222) 0.227 1.287 ( 6.505 -0.000 8.764) 10.914 1.379 ( 5.518 -0.000 -6.168) 8.276 1.437 ( -0.953 0.000 1.633) 1.891 1.487 ( 8.562 -0.000 -0.902) 8.610 1.600 ( 6.373 -0.000 2.982) 7.036 1.759 ( -6.680 0.000 5.351) 8.559 2.206 ( 9.534 -0.000 -1.119) 9.599 2.397 ( -6.674 0.000 4.265) 7.921 2.442 ( -1.114 0.000 0.494) 1.219 2.527 ( 3.108 -0.000 -2.709) 4.123 3.340 ( 10.725 -0.000 -1.317) 10.805 3.509 ( 6.686 -0.000 1.240) 6.800 3.622 ( 13.168 -0.000 -8.525) 15.687 3.731 ( 6.963 -0.000 -4.521) 8.301 4.105 ( 1.867 -0.000 18.854) 18.946 4.580 ( 0.058 -0.000 9.831) 9.831 4.803 ( -1.797 0.000 -2.810) 3.336 5.240 ( -4.458 0.000 -24.103) 24.512 7.794 ( -7.617 0.000 12.030) 14.239 8.675 ( -2.632 0.000 -8.248) 8.658 8.890 ( 0.787 -0.000 -2.923) 3.027 8.989 ( -2.761 0.000 -3.028) 4.098 9.746 ( -3.831 0.000 0.919) 3.940 9.854 ( -0.179 0.000 0.079) 0.196 10.267 ( 4.425 -0.000 3.218) 5.471 10.470 ( 4.467 -0.000 -1.478) 4.705 12.682 ( -0.060 0.000 2.390) 2.390 12.815 ( 1.014 -0.000 -1.660) 1.945 13.214 ( -0.996 0.000 2.274) 2.483 13.476 ( 3.647 -0.000 -1.138) 3.821 13.575 ( 0.684 -0.000 -1.631) 1.768 13.782 ( 1.303 -0.000 -3.020) 3.289 ======================= Grid point 176 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 4.359 2.183 0.019) 4.875 0.885 ( 8.393 2.579 4.828) 10.020 0.962 ( 1.638 -1.921 -0.474) 2.569 1.086 ( -0.277 -3.159 1.490) 3.504 1.366 ( 2.475 0.396 2.231) 3.355 1.412 ( 0.503 1.592 0.451) 1.729 1.473 ( 6.057 -0.042 -2.571) 6.580 1.616 ( 6.049 1.389 -0.103) 6.207 1.622 ( -0.734 2.738 4.115) 4.997 1.905 ( 13.857 -15.360 -0.090) 20.687 2.285 ( 0.752 1.155 1.162) 1.803 2.335 ( -3.437 -1.781 3.028) 4.914 2.458 ( 6.005 2.768 -0.929) 6.678 2.579 ( 2.311 -3.265 0.965) 4.115 3.519 ( 12.886 -0.501 -0.478) 12.905 3.572 ( 8.143 4.578 -0.818) 9.378 3.810 ( 8.699 -3.717 -1.383) 9.560 3.863 ( 6.797 -6.404 -3.902) 10.121 4.155 ( 1.834 2.069 13.706) 13.982 4.588 ( -1.266 1.725 9.575) 9.811 4.768 ( -2.241 -0.596 -1.420) 2.719 5.128 ( -3.786 -0.765 -22.836) 23.161 7.690 ( -8.731 1.948 12.077) 15.029 8.597 ( -3.209 2.516 -8.237) 9.190 8.854 ( -2.183 2.596 -2.288) 4.091 8.953 ( -3.737 -2.481 -4.031) 6.030 9.714 ( -0.958 0.034 0.648) 1.157 9.851 ( -0.513 -0.331 0.150) 0.629 10.336 ( 4.037 -0.019 2.397) 4.695 10.539 ( 4.415 -1.059 -1.040) 4.658 12.687 ( 0.041 -0.052 1.890) 1.892 12.822 ( 0.998 0.704 -1.937) 2.290 13.213 ( -0.461 -0.711 2.950) 3.070 13.542 ( 3.523 -1.598 -0.238) 3.876 13.587 ( 2.404 0.180 -3.135) 3.954 13.790 ( 1.069 0.522 -1.960) 2.293 ======================= Grid point 177 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.459 7.639 -1.954) 7.898 0.999 ( 3.878 -0.424 -1.109) 4.056 1.034 ( 3.930 -5.322 3.195) 7.347 1.124 ( 0.866 -1.039 3.908) 4.135 1.345 ( -0.516 4.537 1.958) 4.968 1.404 ( -0.595 0.907 0.764) 1.327 1.516 ( 1.417 3.946 -0.356) 4.208 1.571 ( 2.421 0.689 1.172) 2.776 1.720 ( 7.218 1.331 0.151) 7.341 2.234 ( 0.232 -2.574 -0.205) 2.593 2.284 ( 7.996 -2.667 0.310) 8.435 2.335 ( -0.763 -1.829 -0.208) 1.993 2.543 ( 5.970 -4.935 -2.417) 8.114 2.690 ( 6.705 -4.273 2.572) 8.357 3.601 ( 6.717 5.731 -2.030) 9.060 3.707 ( 9.994 -0.801 0.777) 10.056 3.926 ( 2.986 0.950 7.788) 8.395 4.032 ( 7.171 -4.821 -0.664) 8.666 4.180 ( 2.652 0.899 2.552) 3.789 4.539 ( -3.125 2.710 5.285) 6.711 4.749 ( -1.362 0.238 -1.824) 2.289 5.079 ( -1.690 -5.050 -15.411) 16.305 7.562 ( -8.613 2.552 12.469) 15.368 8.505 ( -2.347 1.857 -8.726) 9.225 8.773 ( -3.778 2.117 -1.253) 4.508 8.926 ( -3.791 -3.313 -5.084) 7.155 9.710 ( 0.947 1.339 0.434) 1.696 9.851 ( -0.582 -0.890 0.195) 1.081 10.389 ( 2.999 0.262 1.939) 3.581 10.606 ( 3.038 -1.153 -0.802) 3.348 12.692 ( 0.269 0.126 1.246) 1.281 12.818 ( 1.001 1.428 -1.932) 2.603 13.230 ( -0.370 -1.450 3.443) 3.754 13.579 ( 0.478 -0.522 -0.149) 0.723 13.645 ( 5.394 -0.386 -3.900) 6.667 13.790 ( 0.830 0.977 -1.181) 1.743 ======================= Grid point 178 (83/160) ======================= q-point: ( 0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.271 5.184 -3.237) 6.117 1.039 ( 0.779 -1.220 0.103) 1.451 1.115 ( -1.693 -2.150 1.801) 3.276 1.190 ( 6.681 0.126 4.186) 7.885 1.273 ( -0.377 6.021 3.151) 6.806 1.368 ( -1.553 1.795 0.051) 2.374 1.465 ( -2.580 2.451 1.865) 4.018 1.610 ( 4.358 2.371 -0.659) 5.005 1.783 ( 6.110 3.728 -0.001) 7.157 2.211 ( -3.890 -1.936 2.237) 4.887 2.316 ( -1.344 1.170 0.841) 1.971 2.378 ( 5.773 3.754 -2.304) 7.261 2.643 ( 0.478 -0.766 2.346) 2.514 2.906 ( 9.020 -8.049 -4.556) 12.919 3.590 ( 3.139 6.734 -0.406) 7.441 3.812 ( 5.163 2.636 1.202) 5.921 3.921 ( 0.680 4.703 11.562) 12.501 4.158 ( 6.068 1.911 0.539) 6.384 4.216 ( 0.921 -2.197 -4.055) 4.703 4.483 ( -2.240 0.618 2.892) 3.709 4.703 ( -1.243 2.298 -4.677) 5.357 5.136 ( 0.073 -8.956 -8.766) 12.532 7.457 ( -6.435 0.805 12.876) 14.417 8.464 ( 0.254 -1.454 -10.160) 10.267 8.702 ( -3.992 -0.104 0.821) 4.077 8.906 ( -3.213 -3.342 -6.044) 7.617 9.703 ( 1.543 2.819 0.786) 3.308 9.856 ( -0.482 -0.930 0.059) 1.049 10.422 ( 1.766 0.598 1.707) 2.528 10.642 ( 0.840 -0.244 -0.759) 1.158 12.696 ( 0.464 0.487 0.810) 1.053 12.809 ( 1.235 1.650 -1.823) 2.752 13.246 ( -1.118 -1.311 3.838) 4.207 13.586 ( 0.336 0.034 -1.108) 1.158 13.701 ( 3.726 1.017 -3.229) 5.034 13.787 ( 1.047 1.013 -1.289) 1.945 ======================= Grid point 179 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 2.947 -0.423 -3.896) 4.903 1.047 ( -1.134 0.287 1.549) 1.941 1.091 ( -3.847 -0.366 1.662) 4.207 1.210 ( 2.275 6.981 3.271) 8.038 1.242 ( 3.541 5.773 0.318) 6.780 1.340 ( -0.302 1.926 1.724) 2.603 1.409 ( -2.829 -1.588 3.142) 4.516 1.628 ( 3.305 3.088 -0.330) 4.535 1.797 ( 4.447 5.917 0.003) 7.402 2.193 ( -3.537 -2.607 3.457) 5.591 2.245 ( -3.329 5.298 0.494) 6.276 2.402 ( 3.240 1.767 -1.555) 4.004 2.613 ( -0.343 4.854 1.712) 5.158 3.019 ( 0.227 0.430 -4.445) 4.471 3.532 ( 1.420 7.212 2.651) 7.814 3.776 ( -0.913 7.691 2.929) 8.281 3.916 ( 1.868 3.389 8.022) 8.906 4.125 ( -2.481 6.159 0.834) 6.692 4.222 ( 0.737 3.204 -4.735) 5.765 4.484 ( 0.299 -1.428 2.411) 2.818 4.662 ( 0.517 0.812 -4.769) 4.865 5.240 ( -0.074 -9.955 -9.099) 13.487 7.437 ( -2.218 -3.409 12.711) 13.346 8.496 ( 1.661 -4.110 -12.060) 12.849 8.677 ( -2.937 -3.395 3.628) 5.771 8.900 ( -1.109 -3.461 -7.089) 7.967 9.689 ( 1.854 3.403 1.394) 4.118 9.859 ( -0.422 -0.638 0.009) 0.764 10.427 ( 0.063 1.517 1.964) 2.482 10.631 ( -1.266 1.188 -1.007) 2.007 12.696 ( 0.489 0.878 0.853) 1.319 12.805 ( 1.517 1.528 -1.790) 2.800 13.245 ( -2.083 -0.699 4.316) 4.843 13.582 ( 0.141 0.521 -2.200) 2.265 13.710 ( 1.765 2.293 -2.360) 3.734 13.785 ( 1.000 1.408 -1.986) 2.632 ======================= Grid point 180 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 3.397 -2.471 -2.343) 4.810 0.999 ( -3.827 2.195 2.892) 5.276 1.035 ( -3.722 1.523 2.628) 4.805 1.162 ( -3.199 0.167 -1.236) 3.434 1.193 ( 6.706 12.229 5.127) 14.859 1.313 ( 3.807 2.999 -2.897) 5.646 1.437 ( 0.377 -1.249 3.756) 3.976 1.630 ( 2.154 2.602 0.677) 3.446 1.762 ( 2.036 6.771 0.466) 7.086 2.088 ( -6.733 8.080 -0.019) 10.517 2.197 ( -2.311 -3.419 5.571) 6.932 2.420 ( 1.723 0.301 -1.387) 2.232 2.552 ( 2.427 6.566 -0.383) 7.011 2.878 ( -9.051 10.336 -0.548) 13.750 3.468 ( 0.751 6.992 5.211) 8.753 3.627 ( -4.193 9.892 1.227) 10.813 3.898 ( -0.800 5.309 8.733) 10.251 3.975 ( -4.053 7.903 -0.307) 8.887 4.137 ( -1.149 7.311 -4.292) 8.555 4.514 ( 0.617 -0.856 3.375) 3.536 4.680 ( 2.594 -1.309 -4.865) 5.667 5.333 ( -1.075 -9.438 -12.455) 15.664 7.532 ( 1.387 -7.537 12.298) 14.491 8.535 ( 0.368 -4.149 -12.426) 13.105 8.717 ( -2.366 -6.062 4.711) 8.034 8.947 ( 3.540 -4.191 -8.299) 9.948 9.682 ( 2.305 2.625 2.026) 4.039 9.860 ( -0.471 -0.403 -0.022) 0.620 10.391 ( -1.921 2.942 2.907) 4.560 10.578 ( -2.281 2.501 -1.559) 3.727 12.692 ( 0.364 1.098 1.322) 1.756 12.804 ( 1.475 1.355 -1.755) 2.663 13.227 ( -2.460 -0.252 4.734) 5.341 13.568 ( 0.146 1.011 -3.780) 3.915 13.688 ( 0.484 3.172 -1.411) 3.505 13.769 ( 0.336 1.566 -2.423) 2.904 ======================= Grid point 181 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -0.564 1.235 4.708) 4.900 0.899 ( -5.562 4.263 5.522) 8.922 0.966 ( -2.935 1.897 2.445) 4.265 1.124 ( 2.306 4.886 1.236) 5.542 1.193 ( 6.280 2.915 -0.984) 6.993 1.359 ( 7.022 2.965 -5.423) 9.355 1.444 ( 1.724 2.530 3.251) 4.465 1.617 ( -1.831 1.914 3.134) 4.104 1.704 ( 2.277 5.975 -0.328) 6.403 1.872 ( -7.449 8.550 -1.089) 11.392 2.242 ( -1.010 -4.224 6.919) 8.170 2.440 ( 1.248 -0.621 -1.433) 1.999 2.516 ( 1.811 6.980 0.181) 7.214 2.555 ( -10.564 12.240 3.153) 16.473 3.368 ( -3.854 8.967 7.000) 12.011 3.463 ( -0.666 8.399 -1.728) 8.600 3.754 ( -4.175 9.180 3.668) 10.731 3.866 ( 0.881 10.122 -0.798) 10.192 4.026 ( -1.796 4.628 2.557) 5.585 4.535 ( 0.214 -0.135 4.745) 4.752 4.733 ( 3.193 -1.866 -4.973) 6.197 5.388 ( -2.122 -7.809 -16.273) 18.174 7.690 ( 1.402 -8.557 12.389) 15.122 8.575 ( 1.405 -5.210 -13.131) 14.196 8.759 ( -3.241 -5.370 4.346) 7.630 9.045 ( 5.052 -2.564 -7.818) 9.655 9.707 ( 3.038 -0.210 2.228) 3.773 9.856 ( -0.691 -0.274 -0.236) 0.780 10.318 ( -2.969 3.841 4.046) 6.320 10.505 ( -1.839 3.418 -2.005) 4.368 12.686 ( 0.170 1.055 1.925) 2.202 12.803 ( 1.056 1.126 -1.560) 2.195 13.210 ( -1.828 -0.406 4.662) 5.024 13.544 ( 0.503 1.964 -5.461) 5.826 13.637 ( -1.106 3.593 0.610) 3.809 13.755 ( 0.656 0.596 -3.327) 3.443 ======================= Grid point 182 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -4.324 2.474 10.800) 11.893 0.803 ( -0.549 5.496 6.594) 8.602 0.926 ( -0.675 1.047 1.187) 1.721 1.097 ( 1.690 4.354 1.144) 4.808 1.256 ( 7.466 5.028 1.208) 9.082 1.321 ( -0.569 7.038 1.959) 7.327 1.489 ( 5.052 0.491 -2.595) 5.701 1.525 ( -6.984 2.654 4.505) 8.724 1.595 ( -4.102 8.926 -0.388) 9.831 1.803 ( 8.873 2.271 -2.975) 9.630 2.150 ( -9.604 7.053 6.120) 13.395 2.406 ( -2.132 -5.705 3.841) 7.201 2.465 ( 2.435 0.345 -2.168) 3.279 2.525 ( 1.854 1.042 -0.227) 2.139 3.230 ( 0.220 7.272 4.631) 8.624 3.359 ( 0.469 7.461 -2.095) 7.763 3.634 ( 1.088 7.667 1.771) 7.944 3.728 ( 4.686 13.805 -6.027) 15.775 3.995 ( -1.074 0.396 13.135) 13.185 4.547 ( -0.092 0.139 6.279) 6.281 4.786 ( 2.429 -1.674 -4.706) 5.554 5.394 ( -3.093 -5.112 -19.621) 20.510 7.812 ( -1.869 -6.217 12.538) 14.119 8.648 ( 2.276 -6.186 -13.562) 15.079 8.789 ( -1.715 -4.236 3.470) 5.738 9.085 ( 1.868 1.757 -5.733) 6.281 9.778 ( 2.410 -3.166 1.459) 4.238 9.844 ( -1.044 -0.005 -0.457) 1.139 10.242 ( -1.865 3.669 4.793) 6.317 10.443 ( 0.228 3.260 -2.139) 3.906 12.680 ( 0.027 0.739 2.390) 2.502 12.801 ( 0.743 0.625 -1.312) 1.633 13.210 ( -0.798 -0.984 3.722) 3.931 13.502 ( 0.591 4.022 -4.696) 6.211 13.589 ( -1.069 1.313 0.769) 1.860 13.757 ( 1.103 -0.073 -3.914) 4.067 ======================= Grid point 185 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 2.121 -0.000 2.026) 2.933 0.952 ( 1.725 -0.000 -1.887) 2.557 1.036 ( 3.728 -0.000 1.294) 3.946 1.041 ( -0.043 0.000 0.010) 0.044 1.401 ( 1.231 -0.000 0.063) 1.233 1.441 ( 0.731 -0.000 -0.524) 0.899 1.576 ( 7.839 -0.000 -1.655) 8.012 1.694 ( 4.940 -0.000 0.288) 4.948 1.742 ( 8.832 -0.000 0.347) 8.839 2.026 ( 20.067 -0.000 -2.196) 20.187 2.252 ( -5.136 0.000 3.422) 6.171 2.302 ( -0.426 0.000 1.789) 1.840 2.556 ( -0.503 0.000 1.294) 1.388 2.610 ( 9.237 -0.000 1.217) 9.317 3.698 ( 12.105 -0.000 1.023) 12.148 3.755 ( 9.856 -0.000 -0.114) 9.857 3.846 ( 4.453 -0.000 -1.156) 4.601 3.961 ( 10.735 -0.000 -2.937) 11.129 4.216 ( 0.988 -0.000 10.214) 10.262 4.612 ( -1.577 0.000 12.858) 12.955 4.717 ( -2.714 0.000 -1.268) 2.996 5.009 ( -4.272 0.000 -23.249) 23.638 7.599 ( -9.441 0.000 12.627) 15.766 8.538 ( -4.608 0.000 -7.893) 9.139 8.797 ( -6.600 0.000 -1.900) 6.868 8.878 ( -3.128 0.000 -5.211) 6.078 9.728 ( 2.482 -0.000 -0.268) 2.496 9.836 ( -1.199 0.000 0.653) 1.365 10.395 ( 3.421 -0.000 1.754) 3.844 10.590 ( 3.672 -0.000 -0.530) 3.710 12.694 ( 0.517 -0.000 1.257) 1.359 12.839 ( 1.242 -0.000 -2.227) 2.550 13.209 ( -0.342 0.000 3.586) 3.602 13.569 ( 1.342 -0.000 0.101) 1.346 13.642 ( 6.138 -0.000 -4.346) 7.521 13.803 ( 0.710 -0.000 -0.959) 1.193 ======================= Grid point 186 (89/160) ======================= q-point: ( 0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -2.683 5.868 0.607) 6.481 0.994 ( 0.953 -2.243 -0.310) 2.457 1.069 ( 3.133 -0.923 -0.689) 3.338 1.087 ( -0.547 -3.495 1.507) 3.845 1.402 ( -0.194 0.874 -1.113) 1.428 1.429 ( -0.436 1.230 -0.108) 1.310 1.674 ( 7.528 1.692 -0.941) 7.773 1.711 ( 11.523 14.225 -0.972) 18.332 1.854 ( 7.791 1.531 0.137) 7.941 2.175 ( -4.477 -0.905 2.177) 5.060 2.307 ( -0.154 -0.691 1.424) 1.590 2.398 ( 16.696 -7.191 -4.126) 18.641 2.545 ( 0.078 -0.972 1.402) 1.708 2.748 ( 6.658 -3.025 2.093) 7.607 3.783 ( 5.872 7.903 0.326) 9.851 3.858 ( 9.381 1.276 1.039) 9.524 3.967 ( 3.432 -3.750 5.794) 7.708 4.107 ( 8.651 -1.624 -3.722) 9.557 4.239 ( 2.360 1.609 4.317) 5.177 4.561 ( -2.608 5.364 7.332) 9.452 4.718 ( -1.020 -2.213 0.601) 2.510 4.935 ( -3.462 -5.275 -17.413) 18.520 7.488 ( -8.849 1.045 13.276) 15.990 8.450 ( -4.350 0.017 -7.627) 8.780 8.686 ( -8.376 -0.684 -1.156) 8.483 8.839 ( -1.974 -1.591 -7.014) 7.458 9.763 ( 3.410 1.693 -0.577) 3.851 9.826 ( -1.173 -1.083 0.917) 1.842 10.438 ( 2.505 0.434 1.541) 2.973 10.633 ( 2.087 -0.291 -0.246) 2.121 12.706 ( 0.975 0.226 0.550) 1.142 12.845 ( 1.215 0.916 -2.305) 2.762 13.218 ( -0.322 -0.696 4.130) 4.200 13.583 ( 0.651 -0.133 -0.660) 0.937 13.723 ( 6.458 0.550 -4.631) 7.966 13.806 ( 0.273 0.392 -0.319) 0.574 ======================= Grid point 187 (90/160) ======================= q-point: ( 0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -1.530 4.828 -0.554) 5.095 1.020 ( -1.463 -1.817 0.711) 2.439 1.082 ( -0.944 -0.319 1.049) 1.447 1.154 ( 1.588 -3.643 -1.282) 4.176 1.372 ( -0.851 1.598 -2.005) 2.702 1.405 ( -1.738 0.729 1.449) 2.378 1.681 ( 14.462 18.617 -0.613) 23.582 1.737 ( 6.821 4.361 -0.283) 8.101 1.917 ( 5.258 3.156 -0.367) 6.143 2.138 ( -3.372 -1.506 2.994) 4.754 2.312 ( -0.477 0.238 0.992) 1.126 2.475 ( 0.520 3.764 0.982) 3.925 2.669 ( 5.270 -0.827 0.405) 5.350 2.913 ( 6.726 -7.329 -3.329) 10.490 3.741 ( 2.789 8.627 3.246) 9.630 3.931 ( 4.523 3.971 1.292) 6.156 4.018 ( 2.345 3.382 8.359) 9.317 4.191 ( -0.076 -1.455 -2.753) 3.115 4.286 ( 7.310 2.789 -0.710) 7.856 4.486 ( -0.888 2.908 2.707) 4.071 4.701 ( -0.953 1.535 -3.606) 4.033 4.975 ( -2.087 -10.522 -8.954) 13.973 7.398 ( -6.383 -0.072 13.659) 15.077 8.402 ( -2.067 -2.807 -8.796) 9.462 8.589 ( -8.330 -3.207 1.002) 8.982 8.828 ( -0.337 -2.098 -8.623) 8.881 9.769 ( 1.192 2.406 1.268) 2.969 9.836 ( 0.533 -0.755 -0.473) 1.038 10.462 ( 1.694 1.067 1.645) 2.591 10.649 ( 0.172 0.348 -0.285) 0.482 12.717 ( 1.143 0.651 0.131) 1.322 12.843 ( 1.231 1.305 -2.269) 2.893 13.229 ( -0.797 -0.525 4.526) 4.626 13.588 ( 0.281 0.046 -1.354) 1.384 13.769 ( 2.866 2.093 -2.876) 4.568 13.811 ( 2.067 0.511 -2.201) 3.062 ======================= Grid point 188 (91/160) ======================= q-point: (-0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 2.860 0.447 -1.760) 3.388 0.991 ( -5.341 -1.099 1.467) 5.647 1.071 ( -0.357 1.154 0.899) 1.506 1.193 ( 0.776 -0.268 -3.193) 3.297 1.349 ( 0.601 0.480 -1.901) 2.050 1.358 ( -3.947 0.943 3.175) 5.153 1.668 ( 16.796 18.295 -0.100) 24.835 1.759 ( 6.224 6.385 -0.272) 8.921 1.923 ( 2.893 4.869 -0.265) 5.670 2.127 ( -2.343 -1.743 4.161) 5.083 2.266 ( -2.880 4.781 0.964) 5.664 2.431 ( -1.388 1.565 0.356) 2.122 2.689 ( 1.968 3.946 1.826) 4.773 3.010 ( -0.286 0.071 -4.181) 4.192 3.674 ( 1.994 8.593 6.486) 10.949 3.882 ( -0.207 8.947 1.753) 9.119 4.012 ( 1.231 4.446 7.048) 8.424 4.142 ( -2.701 4.201 -0.172) 4.997 4.307 ( 2.674 5.707 -3.605) 7.260 4.490 ( 2.101 -0.591 1.524) 2.662 4.668 ( 0.395 0.781 -3.843) 3.941 5.068 ( -1.902 -11.136 -9.445) 14.726 7.388 ( -2.332 -3.688 13.421) 14.113 8.414 ( -0.806 -4.891 -12.096) 13.073 8.548 ( -6.767 -6.660 5.094) 10.775 8.853 ( 2.751 -2.934 -9.937) 10.720 9.752 ( -0.131 2.027 2.692) 3.372 9.849 ( 0.881 0.126 -1.083) 1.402 10.462 ( 0.579 2.376 2.260) 3.330 10.628 ( -1.188 1.494 -0.751) 2.051 12.721 ( 0.931 1.090 0.250) 1.455 12.839 ( 1.154 1.251 -2.307) 2.867 13.227 ( -1.254 0.150 4.958) 5.117 13.583 ( -0.059 0.345 -2.223) 2.251 13.759 ( 0.756 1.983 -1.712) 2.727 13.820 ( 1.944 2.367 -3.564) 4.700 ======================= Grid point 189 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 5.716 -1.416 -1.775) 6.150 0.913 ( -6.859 -0.178 1.363) 6.995 1.036 ( -1.661 2.590 1.712) 3.521 1.191 ( 3.223 2.013 -4.294) 5.734 1.285 ( -3.674 1.734 3.347) 5.264 1.381 ( 2.560 -1.394 -2.248) 3.681 1.684 ( 14.523 15.226 0.154) 21.042 1.756 ( 6.317 8.357 -0.153) 10.477 1.876 ( 1.928 7.176 0.164) 7.432 2.104 ( -6.151 7.830 0.692) 9.981 2.144 ( -1.130 -1.486 4.945) 5.286 2.408 ( -1.314 -0.981 -0.796) 1.823 2.663 ( 1.843 4.541 1.549) 5.139 2.874 ( -8.629 9.969 -0.488) 13.194 3.608 ( 1.562 9.264 8.499) 12.669 3.731 ( -1.528 11.721 0.729) 11.843 3.946 ( -4.591 5.524 6.891) 9.953 4.054 ( 1.229 6.772 1.950) 7.153 4.218 ( -0.539 8.338 -4.845) 9.658 4.531 ( 1.620 -0.166 3.126) 3.525 4.683 ( 1.911 -1.580 -4.187) 4.866 5.152 ( -1.832 -10.358 -13.144) 16.835 7.479 ( 0.625 -7.379 12.942) 14.911 8.435 ( -0.961 -5.505 -13.539) 14.646 8.580 ( -4.854 -8.384 5.942) 11.365 8.945 ( 6.361 -4.480 -10.224) 12.847 9.729 ( -1.061 1.118 3.640) 3.953 9.854 ( 0.787 0.490 -1.178) 1.499 10.425 ( -0.906 4.144 3.406) 5.440 10.582 ( -1.063 2.573 -1.500) 3.162 12.717 ( 0.488 1.326 0.830) 1.639 12.832 ( 0.679 1.090 -2.308) 2.642 13.215 ( -1.097 0.681 5.267) 5.423 13.570 ( -0.065 0.543 -3.314) 3.359 13.738 ( 0.844 2.565 -2.232) 3.503 13.789 ( -0.078 3.020 -2.853) 4.155 ======================= Grid point 190 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -3.184 3.368 0.822) 4.707 0.869 ( 1.674 -0.686 1.688) 2.475 0.980 ( -0.955 2.963 1.761) 3.577 1.197 ( 0.155 3.320 2.510) 4.165 1.278 ( 4.342 -2.137 -5.269) 7.154 1.428 ( 2.672 -0.644 -2.562) 3.758 1.664 ( 0.216 9.586 3.829) 10.324 1.692 ( 6.843 13.132 -1.398) 14.874 1.857 ( 6.906 9.799 -0.611) 12.003 1.896 ( -1.975 7.612 -2.803) 8.348 2.191 ( -0.379 -3.512 6.287) 7.211 2.411 ( -1.302 -2.421 -0.968) 2.914 2.548 ( -12.362 13.488 5.153) 19.008 2.642 ( 2.180 5.970 0.991) 6.432 3.492 ( -0.458 12.225 5.963) 13.610 3.594 ( 1.398 10.366 -0.041) 10.460 3.818 ( -2.967 6.270 7.366) 10.118 4.003 ( 1.373 6.191 4.630) 7.852 4.087 ( -0.006 8.755 -5.047) 10.106 4.552 ( 0.345 0.255 5.162) 5.180 4.729 ( 1.858 -2.566 -4.281) 5.326 5.216 ( -1.419 -8.488 -16.711) 18.796 7.618 ( -0.154 -8.354 12.713) 15.213 8.481 ( 1.101 -6.655 -14.256) 15.772 8.632 ( -3.821 -7.813 4.804) 9.936 9.069 ( 5.813 -3.132 -8.877) 11.064 9.718 ( -1.417 -1.248 3.688) 4.143 9.854 ( 0.693 0.726 -1.066) 1.464 10.356 ( -1.425 5.004 4.271) 6.732 10.533 ( 0.278 3.482 -1.829) 3.943 12.706 ( 0.017 1.266 1.545) 1.998 12.820 ( 0.035 0.817 -2.068) 2.224 13.207 ( -0.306 0.694 5.002) 5.059 13.556 ( 0.454 0.628 -4.364) 4.432 13.689 ( -0.035 5.623 -1.616) 5.851 13.756 ( -0.272 0.185 -2.571) 2.592 ======================= Grid point 191 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -1.681 1.932 1.236) 2.844 0.882 ( 1.217 3.903 4.311) 5.941 0.960 ( 2.402 2.216 0.730) 3.349 1.153 ( -1.235 2.880 3.140) 4.436 1.351 ( 2.558 0.001 -4.181) 4.902 1.459 ( 2.240 1.153 -1.120) 2.756 1.493 ( -3.273 9.124 4.341) 10.621 1.612 ( -0.841 9.499 -0.255) 9.540 1.703 ( 2.099 10.244 -0.295) 10.461 1.998 ( 15.102 2.525 -5.287) 16.199 2.136 ( -6.979 9.658 6.609) 13.626 2.333 ( -2.032 -0.618 5.611) 6.000 2.436 ( -1.178 -2.838 -0.660) 3.143 2.607 ( 1.598 4.821 1.266) 5.234 3.371 ( 2.917 9.388 2.231) 10.080 3.490 ( 2.513 9.232 -0.717) 9.595 3.755 ( 2.242 5.775 4.935) 7.920 3.947 ( 3.794 9.080 -0.995) 9.891 4.018 ( 0.921 2.227 5.536) 6.038 4.561 ( -0.493 0.058 6.613) 6.631 4.773 ( 0.871 -2.350 -3.804) 4.555 5.245 ( -1.484 -5.346 -19.223) 20.008 7.717 ( -3.634 -6.674 12.303) 14.461 8.558 ( 1.127 -6.532 -12.765) 14.383 8.701 ( -0.791 -7.602 2.263) 7.971 9.114 ( 0.972 1.410 -6.215) 6.447 9.737 ( -1.466 -3.265 1.903) 4.053 9.852 ( 0.632 0.699 -0.374) 1.014 10.293 ( 0.073 4.164 4.377) 6.042 10.501 ( 2.237 3.543 -1.777) 4.551 12.694 ( -0.265 0.903 2.063) 2.267 12.808 ( -0.114 0.211 -1.750) 1.766 13.211 ( 0.352 0.390 4.043) 4.077 13.547 ( 1.511 1.488 -5.248) 5.660 13.611 ( -0.800 4.635 0.514) 4.732 13.757 ( 0.565 -0.633 -2.963) 3.082 ======================= Grid point 195 (95/160) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -5.595 0.000 3.822) 6.776 0.974 ( -0.468 0.000 -1.475) 1.548 1.077 ( 1.413 -0.000 0.105) 1.417 1.105 ( 3.061 -0.000 -0.845) 3.175 1.392 ( -1.731 0.000 -0.531) 1.811 1.418 ( -1.291 0.000 -1.248) 1.796 1.793 ( 7.449 -0.000 -0.490) 7.465 1.954 ( 4.393 -0.000 -0.254) 4.401 1.998 ( 13.272 -0.000 -4.981) 14.176 2.119 ( -2.506 0.000 3.154) 4.028 2.313 ( 0.733 -0.000 2.025) 2.153 2.531 ( -1.560 0.000 2.751) 3.162 2.596 ( 19.211 -0.000 -7.666) 20.684 2.800 ( 2.458 -0.000 4.056) 4.743 3.908 ( -0.984 0.000 7.882) 7.943 3.959 ( 6.611 -0.000 0.077) 6.612 4.031 ( 8.201 -0.000 1.076) 8.271 4.161 ( 0.996 -0.000 -1.507) 1.807 4.325 ( 7.429 -0.000 0.291) 7.435 4.608 ( -2.391 0.000 11.725) 11.966 4.681 ( 0.929 -0.000 -1.405) 1.684 4.803 ( -3.704 0.000 -18.111) 18.486 7.403 ( -7.931 0.000 14.064) 16.146 8.365 ( -4.605 0.000 -6.297) 7.801 8.543 ( -9.852 0.000 -1.234) 9.929 8.801 ( 0.369 -0.000 -9.515) 9.522 9.794 ( -2.146 0.000 2.510) 3.302 9.832 ( 4.051 -0.000 -1.818) 4.441 10.476 ( 2.052 -0.000 1.465) 2.521 10.653 ( 0.804 -0.000 0.088) 0.809 12.725 ( 1.393 -0.000 -0.133) 1.399 12.861 ( 0.924 -0.000 -2.584) 2.744 13.222 ( -0.101 0.000 4.741) 4.742 13.588 ( 0.442 -0.000 -1.244) 1.320 13.805 ( -0.612 0.000 0.354) 0.707 13.809 ( 6.248 -0.000 -5.522) 8.338 ======================= Grid point 196 (96/160) ======================= q-point: (-0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -3.946 1.705 3.579) 5.594 0.965 ( -2.016 -0.862 -0.847) 2.350 1.095 ( 1.274 0.685 0.029) 1.447 1.154 ( 2.611 -1.454 -1.446) 3.320 1.359 ( -2.385 0.056 0.195) 2.394 1.390 ( -1.372 1.076 -0.929) 1.976 1.870 ( 5.763 2.915 -0.167) 6.461 1.978 ( 0.320 0.091 -0.022) 0.333 2.089 ( 12.676 10.209 -4.734) 16.951 2.121 ( 1.549 0.915 2.585) 3.149 2.324 ( 1.144 1.427 1.371) 2.286 2.495 ( -2.574 2.051 2.472) 4.116 2.769 ( 3.986 3.314 1.776) 5.479 2.908 ( 8.396 -6.783 -5.176) 11.970 3.863 ( -1.131 5.420 9.189) 10.728 4.027 ( 3.254 2.055 0.518) 3.883 4.106 ( 2.218 2.841 2.416) 4.339 4.169 ( 0.712 -1.490 -0.785) 1.828 4.412 ( 5.658 2.260 -2.030) 6.422 4.544 ( 0.055 5.358 3.357) 6.323 4.701 ( -0.534 1.099 -2.717) 2.979 4.796 ( -1.049 -9.566 -9.128) 13.264 7.339 ( -5.557 -0.612 14.469) 15.511 8.315 ( -2.268 -2.442 -7.252) 7.981 8.421 ( -9.300 -2.779 0.469) 9.718 8.804 ( 2.518 -0.959 -11.283) 11.600 9.769 ( -2.404 -0.060 3.678) 4.394 9.870 ( 2.626 0.878 -2.137) 3.498 10.503 ( 1.898 0.809 1.652) 2.643 10.653 ( -0.409 0.485 -0.005) 0.635 12.742 ( 1.297 0.457 -0.466) 1.452 12.862 ( 0.590 0.509 -2.715) 2.824 13.231 ( -0.158 0.120 5.159) 5.162 13.588 ( 0.097 0.094 -1.841) 1.846 13.789 ( -1.093 0.549 0.290) 1.257 13.869 ( 4.620 1.151 -5.814) 7.515 ======================= Grid point 197 (97/160) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.185 -1.976 3.007) 3.603 0.931 ( -1.974 0.991 -1.586) 2.719 1.089 ( -0.205 1.675 0.717) 1.833 1.197 ( 1.473 -1.153 -2.373) 3.022 1.326 ( -2.655 0.775 2.230) 3.553 1.361 ( 0.452 0.528 -1.642) 1.783 1.885 ( 3.624 4.615 0.228) 5.872 1.982 ( 1.170 1.371 -0.804) 1.974 2.112 ( 3.290 4.161 1.689) 5.567 2.133 ( 10.571 9.824 -2.185) 14.595 2.295 ( -1.104 5.092 1.031) 5.312 2.423 ( -2.997 2.560 0.602) 3.987 2.746 ( -1.725 2.193 4.674) 5.444 3.020 ( 2.922 1.897 -6.059) 6.989 3.804 ( -0.189 5.761 11.156) 12.557 3.989 ( -0.298 7.574 0.732) 7.615 4.062 ( -2.296 3.752 1.700) 4.715 4.183 ( 1.279 2.567 1.686) 3.327 4.391 ( 0.134 5.346 -3.347) 6.309 4.538 ( 3.145 1.335 0.814) 3.512 4.672 ( -0.628 0.382 -2.732) 2.829 4.898 ( 0.650 -9.087 -8.873) 12.717 7.340 ( -2.111 -3.508 14.292) 14.867 8.313 ( -1.642 -3.790 -13.380) 14.003 8.376 ( -5.572 -6.802 6.542) 10.960 8.853 ( 5.157 -2.513 -12.129) 13.418 9.741 ( -2.954 -0.009 4.726) 5.573 9.879 ( 1.242 1.117 -2.041) 2.638 10.511 ( 1.204 2.467 2.309) 3.587 10.631 ( -0.727 1.304 -0.650) 1.628 12.747 ( 0.754 0.933 -0.237) 1.223 12.854 ( 0.184 0.613 -2.816) 2.888 13.235 ( -0.190 0.726 5.525) 5.576 13.580 ( -0.184 0.300 -2.524) 2.549 13.765 ( -1.211 0.444 -0.233) 1.311 13.881 ( 2.484 3.043 -5.494) 6.753 ======================= Grid point 198 (98/160) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -1.601 -4.354 2.645) 5.339 0.898 ( 2.523 2.476 -2.856) 4.545 1.051 ( -1.242 2.564 1.197) 3.090 1.225 ( 0.754 -1.676 -2.524) 3.122 1.275 ( -0.713 2.744 1.814) 3.366 1.388 ( 1.970 -1.767 -1.686) 3.138 1.862 ( 1.646 5.778 0.678) 6.046 1.944 ( 0.304 6.071 -2.265) 6.487 2.095 ( -3.403 2.175 3.310) 5.222 2.164 ( 13.493 13.018 -2.583) 18.926 2.170 ( -1.331 5.830 1.582) 6.186 2.373 ( -1.936 0.219 -1.465) 2.438 2.697 ( -3.637 1.592 5.172) 6.520 2.920 ( -2.552 11.172 -2.698) 11.773 3.760 ( 1.063 6.812 12.332) 14.129 3.851 ( -2.349 10.140 1.400) 10.502 3.957 ( -4.372 5.768 2.352) 7.610 4.150 ( 0.183 4.972 2.062) 5.385 4.301 ( -0.026 6.953 -4.639) 8.359 4.561 ( 0.806 0.608 3.023) 3.187 4.671 ( 0.085 -1.962 -3.555) 4.062 5.001 ( 2.374 -7.639 -11.999) 14.422 7.424 ( -0.090 -6.518 13.855) 15.312 8.321 ( -0.993 -5.953 -12.079) 13.503 8.431 ( -2.118 -7.235 3.630) 8.367 8.962 ( 7.292 -4.451 -11.614) 14.418 9.706 ( -3.565 -0.044 5.303) 6.390 9.874 ( 0.278 0.681 -1.538) 1.705 10.479 ( -0.332 4.461 3.164) 5.479 10.605 ( 0.499 2.060 -1.378) 2.528 12.739 ( 0.054 1.206 0.438) 1.285 12.839 ( -0.434 0.616 -2.749) 2.851 13.234 ( 0.133 1.210 5.657) 5.787 13.567 ( -0.091 0.358 -3.238) 3.259 13.746 ( -0.886 -0.023 -1.012) 1.345 13.840 ( 0.480 4.822 -4.471) 6.593 ======================= Grid point 199 (99/160) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -3.069 -0.441 -1.531) 3.458 0.930 ( 3.113 1.289 1.330) 3.623 1.019 ( 1.660 2.185 0.298) 2.761 1.201 ( -3.065 1.001 3.334) 4.638 1.310 ( 4.587 -1.637 -4.343) 6.526 1.436 ( 1.661 -1.883 -1.520) 2.935 1.758 ( -2.833 9.623 0.490) 10.044 1.858 ( -0.820 7.505 -0.471) 7.564 1.925 ( -4.705 7.948 -3.287) 9.804 2.162 ( 3.816 7.360 3.016) 8.822 2.196 ( 5.958 2.796 1.526) 6.756 2.346 ( -2.884 -2.315 -0.906) 3.807 2.596 ( -2.143 9.192 2.713) 9.821 2.748 ( 0.101 9.251 1.910) 9.446 3.659 ( -0.505 12.274 2.660) 12.569 3.738 ( 1.013 8.381 4.468) 9.552 3.837 ( -4.730 2.336 9.482) 10.851 4.078 ( -0.929 5.580 1.719) 5.912 4.210 ( 2.310 7.743 -5.541) 9.798 4.562 ( -1.061 0.058 4.645) 4.765 4.701 ( 0.293 -3.333 -4.017) 5.228 5.100 ( 3.613 -5.384 -13.877) 15.317 7.535 ( -1.553 -7.169 13.338) 15.222 8.388 ( 2.471 -7.054 -13.644) 15.557 8.502 ( -1.312 -7.008 3.129) 7.786 9.089 ( 5.437 -3.258 -9.599) 11.503 9.676 ( -2.842 -1.309 4.655) 5.609 9.865 ( -0.383 0.168 -0.799) 0.902 10.415 ( -0.674 5.157 3.461) 6.247 10.587 ( 1.743 2.902 -1.486) 3.697 12.722 ( -0.524 1.180 1.188) 1.755 12.816 ( -0.886 0.441 -2.373) 2.571 13.235 ( 0.664 1.306 5.185) 5.388 13.558 ( 0.447 0.144 -3.660) 3.690 13.738 ( -0.249 -0.569 -1.719) 1.828 13.760 ( -0.717 5.793 -2.972) 6.550 ======================= Grid point 200 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -1.277 0.727 -3.389) 3.693 0.932 ( -0.052 1.723 3.323) 3.744 1.052 ( 5.320 1.749 0.136) 5.601 1.160 ( -1.253 1.551 3.280) 3.839 1.364 ( 1.186 -1.031 -2.792) 3.204 1.442 ( -3.439 1.925 2.834) 4.854 1.599 ( -1.063 7.171 -2.456) 7.654 1.688 ( -4.257 9.481 0.888) 10.431 1.791 ( -4.959 6.698 1.620) 8.489 2.109 ( 1.347 1.807 1.069) 2.495 2.251 ( 2.978 0.290 1.919) 3.555 2.357 ( -0.201 -2.418 -0.456) 2.469 2.506 ( 10.299 13.363 -3.166) 17.166 2.683 ( 0.662 4.521 4.309) 6.281 3.522 ( 0.670 8.587 -0.506) 8.628 3.644 ( 2.664 9.168 0.558) 9.563 3.822 ( -1.428 -0.912 13.696) 13.801 4.014 ( 0.026 3.677 3.469) 5.055 4.155 ( 4.839 7.011 -6.108) 10.482 4.555 ( -1.751 -0.461 4.777) 5.109 4.737 ( -0.144 -3.248 -3.825) 5.019 5.166 ( 3.029 -2.006 -14.411) 14.861 7.603 ( -4.749 -5.890 12.523) 14.631 8.475 ( 1.820 -5.063 -12.456) 13.569 8.605 ( 1.638 -8.382 1.261) 8.633 9.121 ( -0.374 1.282 -6.350) 6.489 9.685 ( -1.087 -2.711 2.293) 3.714 9.858 ( -0.361 -0.222 -0.097) 0.435 10.359 ( 0.509 4.089 3.333) 5.299 10.577 ( 2.729 2.998 -1.441) 4.302 12.703 ( -0.708 0.825 1.656) 1.981 12.797 ( -0.671 -0.165 -1.933) 2.052 13.241 ( 0.874 1.237 4.185) 4.450 13.561 ( 1.121 -0.177 -3.498) 3.677 13.672 ( -0.423 5.574 -1.513) 5.791 13.746 ( 0.410 -1.103 -2.092) 2.401 ======================= Grid point 205 (101/160) ======================= q-point: ( 0.44 -0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -4.090 0.000 5.770) 7.073 0.946 ( -0.186 0.000 -2.212) 2.220 1.114 ( 0.483 -0.000 0.157) 0.508 1.175 ( 1.840 -0.000 -1.418) 2.323 1.325 ( -2.120 0.000 1.382) 2.531 1.380 ( -0.798 0.000 -1.288) 1.515 1.959 ( 3.913 -0.000 -0.365) 3.930 1.969 ( -0.372 0.000 1.484) 1.530 2.151 ( 0.962 -0.000 1.438) 1.730 2.252 ( 4.486 -0.000 -4.473) 6.335 2.401 ( 6.149 -0.000 0.246) 6.153 2.472 ( -3.520 0.000 2.397) 4.259 2.779 ( -5.192 0.000 5.998) 7.933 3.023 ( 12.573 -0.000 -9.652) 15.850 3.880 ( -3.593 0.000 12.069) 12.592 4.080 ( 2.084 -0.000 -0.707) 2.201 4.121 ( -1.823 0.000 -0.909) 2.037 4.197 ( 2.716 -0.000 1.363) 3.039 4.474 ( 0.854 -0.000 -1.673) 1.879 4.597 ( -0.479 0.000 5.726) 5.746 4.647 ( -2.741 0.000 -10.187) 10.549 4.766 ( 6.114 -0.000 -4.181) 7.407 7.298 ( -3.794 0.000 14.989) 15.462 8.262 ( -0.887 0.000 -12.350) 12.381 8.283 ( -6.667 0.000 5.817) 8.848 8.821 ( 4.506 -0.000 -12.931) 13.694 9.740 ( -2.925 0.000 4.953) 5.752 9.895 ( 0.669 -0.000 -2.209) 2.308 10.543 ( 2.318 -0.000 1.692) 2.870 10.648 ( -0.803 0.000 -0.113) 0.811 12.759 ( 0.858 -0.000 -0.685) 1.098 12.862 ( -0.046 0.000 -2.973) 2.974 13.245 ( 0.168 -0.000 5.581) 5.584 13.584 ( -0.137 0.000 -2.344) 2.348 13.771 ( -1.846 0.000 0.463) 1.903 13.921 ( 3.216 -0.000 -6.257) 7.035 ======================= Grid point 207 (102/160) ======================= q-point: (-0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -1.601 -2.084 5.853) 6.416 0.941 ( 1.393 0.870 -3.151) 3.553 1.104 ( -0.893 1.367 0.970) 1.899 1.193 ( 0.485 -0.747 -1.519) 1.761 1.312 ( -0.551 0.011 1.556) 1.650 1.366 ( 0.064 0.204 -1.236) 1.254 1.960 ( 1.154 2.214 0.929) 2.664 2.003 ( 1.460 -0.274 -0.411) 1.542 2.139 ( -1.380 1.840 1.293) 2.639 2.275 ( 1.107 1.002 -2.208) 2.666 2.387 ( -3.658 4.900 1.078) 6.209 2.466 ( 5.948 4.195 -1.409) 7.413 2.702 ( -6.876 -0.487 6.008) 9.144 3.114 ( 5.179 3.982 -8.018) 10.343 3.846 ( -3.530 1.256 12.592) 13.138 4.058 ( -1.236 4.950 0.282) 5.110 4.082 ( -0.762 2.916 -0.966) 3.165 4.215 ( -0.260 0.528 1.317) 1.442 4.428 ( -2.301 3.176 -1.736) 4.289 4.587 ( 0.682 1.052 -0.231) 1.275 4.619 ( -3.211 -2.163 -2.963) 4.875 4.875 ( 8.052 -2.138 -6.357) 10.480 7.309 ( -1.248 -2.377 15.027) 15.265 8.201 ( -3.826 -2.853 -6.532) 8.090 8.301 ( 2.143 -2.769 -0.642) 3.560 8.879 ( 6.384 -1.770 -13.511) 15.048 9.706 ( -3.619 0.017 6.016) 7.020 9.885 ( -0.883 0.230 -1.883) 2.093 10.566 ( 1.627 2.110 2.027) 3.348 10.634 ( -0.293 0.310 -0.692) 0.813 12.761 ( 0.068 0.496 -0.355) 0.614 12.849 ( -0.577 0.220 -3.107) 3.168 13.258 ( 0.284 0.536 5.901) 5.932 13.574 ( -0.245 0.184 -2.859) 2.875 13.744 ( -1.911 -0.063 0.005) 1.912 13.927 ( 1.218 1.857 -5.753) 6.167 ======================= Grid point 208 (103/160) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -1.164 -2.503 3.673) 4.595 0.960 ( 3.529 0.754 -2.922) 4.643 1.070 ( -0.701 1.805 0.975) 2.168 1.203 ( -0.369 -0.647 -0.775) 1.075 1.303 ( 0.449 0.856 0.375) 1.037 1.386 ( 1.394 -1.774 -1.113) 2.516 1.929 ( -0.803 4.138 0.012) 4.216 1.989 ( -1.342 3.063 -2.275) 4.045 2.082 ( -3.995 2.749 1.542) 5.088 2.229 ( -0.563 5.088 1.694) 5.392 2.301 ( -2.051 0.054 -1.723) 2.679 2.450 ( 1.916 8.237 -0.302) 8.462 2.647 ( -4.073 -1.765 4.788) 6.529 3.041 ( 0.121 9.590 -4.952) 10.793 3.803 ( -5.121 0.503 13.137) 14.109 3.938 ( -2.944 8.930 1.286) 9.490 4.006 ( -0.653 7.170 -0.617) 7.226 4.185 ( -1.825 2.086 1.014) 2.952 4.352 ( -1.843 3.239 -2.900) 4.722 4.570 ( -2.070 0.633 3.380) 4.014 4.610 ( -1.189 -3.334 -5.042) 6.160 5.009 ( 9.367 -1.740 -8.292) 12.630 7.382 ( -0.010 -4.565 14.724) 15.416 8.214 ( 0.192 -5.838 -7.481) 9.491 8.379 ( 3.501 -2.964 -1.660) 4.878 8.987 ( 7.440 -3.843 -12.675) 15.192 9.663 ( -4.099 0.014 6.447) 7.640 9.862 ( -1.689 -0.222 -1.152) 2.056 10.537 ( -0.176 4.257 2.067) 4.736 10.635 ( 1.188 0.733 -0.888) 1.654 12.748 ( -0.711 0.816 0.360) 1.141 12.827 ( -1.058 0.370 -2.993) 3.196 13.266 ( 0.420 0.955 5.947) 6.038 13.562 ( -0.012 0.202 -3.314) 3.320 13.722 ( -1.432 -0.516 -0.753) 1.699 13.885 ( -0.563 3.625 -4.517) 5.819 ======================= Grid point 209 (104/160) ======================= q-point: (-0.22 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -0.628 -0.743 -0.761) 1.235 0.979 ( 1.016 1.849 -0.185) 2.118 1.068 ( 2.267 0.078 0.227) 2.279 1.188 ( -0.711 0.902 1.107) 1.595 1.324 ( 1.104 -1.630 -0.796) 2.123 1.431 ( 1.356 -1.758 -0.863) 2.382 1.817 ( -4.229 7.402 -1.664) 8.686 1.896 ( -4.782 5.234 0.503) 7.108 1.936 ( -5.103 6.099 -3.847) 8.834 2.218 ( 0.643 2.653 3.910) 4.769 2.267 ( -4.208 0.583 1.685) 4.570 2.330 ( -1.253 5.117 1.094) 5.381 2.641 ( -1.377 -1.113 3.045) 3.523 2.917 ( 3.506 10.356 -3.607) 11.513 3.724 ( -7.289 3.348 4.350) 9.125 3.804 ( -2.788 4.278 8.865) 10.231 3.890 ( -0.087 9.654 1.104) 9.718 4.123 ( -1.768 3.483 0.341) 3.921 4.289 ( -0.221 2.980 -3.509) 4.609 4.546 ( -2.057 -0.347 3.348) 3.945 4.635 ( -0.546 -4.032 -4.724) 6.235 5.137 ( 9.185 -0.214 -8.983) 12.850 7.465 ( -1.516 -4.574 14.016) 14.821 8.316 ( 4.266 -7.597 -10.069) 13.315 8.459 ( 3.581 -2.401 -1.033) 4.433 9.099 ( 4.547 -2.745 -10.105) 11.416 9.632 ( -2.623 -1.225 5.310) 6.048 9.842 ( -1.841 -0.874 -0.231) 2.051 10.477 ( -0.472 4.848 2.099) 5.304 10.637 ( 1.449 1.512 -0.985) 2.314 12.725 ( -1.184 0.852 1.064) 1.806 12.800 ( -1.189 0.300 -2.545) 2.825 13.272 ( 0.546 1.082 5.395) 5.530 13.557 ( 0.512 -0.083 -3.427) 3.466 13.714 ( -0.726 -1.022 -1.507) 1.960 13.809 ( -1.362 4.545 -2.894) 5.558 ======================= Grid point 210 (105/160) ======================= q-point: (-0.11 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.123 1.276 -4.459) 4.640 0.954 ( -0.608 1.617 2.667) 3.178 1.090 ( -0.871 -0.270 1.597) 1.839 1.216 ( 5.525 -0.552 0.136) 5.554 1.345 ( -0.826 -1.061 0.428) 1.411 1.431 ( -2.198 1.886 1.525) 3.273 1.614 ( -9.830 8.332 0.516) 12.897 1.737 ( -4.095 7.016 0.324) 8.130 1.787 ( -6.138 5.636 1.862) 8.538 2.149 ( 1.902 0.743 -1.461) 2.511 2.273 ( 0.484 -0.610 2.544) 2.661 2.318 ( -0.833 -1.468 -0.267) 1.709 2.640 ( -1.835 -1.349 3.568) 4.233 2.877 ( 8.957 9.507 -4.838) 13.929 3.577 ( -4.573 4.490 -0.922) 6.475 3.756 ( -2.131 2.532 4.382) 5.492 3.813 ( 0.214 2.757 10.268) 10.634 4.068 ( 0.124 2.579 0.347) 2.605 4.256 ( 1.578 2.781 -4.139) 5.230 4.530 ( -1.985 -0.313 3.071) 3.670 4.669 ( -0.591 -4.089 -4.859) 6.378 5.221 ( 7.026 2.490 -8.917) 11.622 7.506 ( -3.905 -3.292 13.008) 13.975 8.436 ( 4.351 -3.682 -12.963) 14.161 8.559 ( 4.309 -5.352 1.480) 7.028 9.110 ( -1.514 1.466 -6.438) 6.775 9.646 ( -0.713 -2.447 2.673) 3.693 9.838 ( -0.583 -1.567 0.215) 1.686 10.421 ( 0.076 3.893 2.110) 4.429 10.636 ( 1.472 1.575 -1.132) 2.435 12.702 ( -1.091 0.536 1.417) 1.867 12.780 ( -0.652 -0.250 -2.007) 2.125 13.276 ( 0.337 1.143 4.381) 4.540 13.564 ( 0.922 -0.484 -2.988) 3.164 13.707 ( -1.010 1.383 -1.771) 2.464 13.745 ( 0.352 1.320 -1.751) 2.221 ======================= Grid point 216 (106/160) ======================= q-point: (-0.44 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.371 -0.000 6.393) 6.404 0.967 ( 2.782 -0.000 -3.695) 4.625 1.097 ( -1.746 0.000 1.595) 2.364 1.190 ( 0.185 -0.000 -1.629) 1.639 1.318 ( 0.909 -0.000 0.944) 1.310 1.362 ( -0.307 0.000 -0.746) 0.807 1.986 ( -0.268 0.000 0.469) 0.541 2.010 ( -0.144 0.000 -0.582) 0.600 2.117 ( -3.377 0.000 0.008) 3.377 2.273 ( -1.327 0.000 -1.647) 2.115 2.363 ( -3.962 0.000 1.827) 4.363 2.558 ( 0.968 -0.000 -0.485) 1.082 2.598 ( -5.498 0.000 3.820) 6.695 3.164 ( -0.553 0.000 -7.024) 7.046 3.813 ( -5.410 0.000 11.084) 12.334 4.063 ( -3.353 0.000 0.092) 3.354 4.105 ( 1.390 -0.000 -0.115) 1.395 4.200 ( -2.537 0.000 1.175) 2.796 4.382 ( -5.815 0.000 -1.283) 5.955 4.561 ( -1.146 0.000 -4.477) 4.622 4.587 ( -1.992 0.000 2.365) 3.092 4.992 ( 11.150 -0.000 -6.386) 12.849 7.322 ( 0.645 -0.000 15.340) 15.354 8.135 ( -0.819 0.000 -5.364) 5.426 8.342 ( 6.132 -0.000 -2.683) 6.694 8.933 ( 7.272 -0.000 -14.031) 15.804 9.665 ( -4.256 0.000 6.961) 8.159 9.859 ( -2.240 0.000 -1.353) 2.617 10.612 ( 1.604 -0.000 1.893) 2.481 10.625 ( -0.504 0.000 -1.030) 1.147 12.759 ( -0.788 0.000 0.028) 0.788 12.832 ( -1.020 0.000 -3.265) 3.420 13.278 ( 0.247 -0.000 6.222) 6.227 13.565 ( -0.175 0.000 -3.203) 3.208 13.715 ( -1.825 0.000 -0.378) 1.864 13.932 ( -0.592 0.000 -5.024) 5.058 ======================= Grid point 217 (107/160) ======================= q-point: (-0.33 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 1.509 -0.192 4.745) 4.983 1.006 ( 3.369 0.303 -3.294) 4.721 1.071 ( -1.372 0.261 1.253) 1.876 1.188 ( -0.836 -0.830 -1.547) 1.945 1.322 ( 0.714 1.650 0.524) 1.873 1.378 ( 1.271 -2.203 -0.592) 2.611 1.938 ( -4.189 2.436 -1.268) 5.009 1.976 ( -4.121 1.519 -0.411) 4.411 2.048 ( -4.956 1.838 -1.063) 5.391 2.245 ( -2.061 -0.505 -1.307) 2.492 2.295 ( -1.010 3.847 2.269) 4.579 2.478 ( -6.954 0.516 3.463) 7.785 2.603 ( 0.111 0.755 -0.172) 0.782 3.080 ( -5.275 2.742 -4.601) 7.518 3.743 ( -7.251 0.540 10.654) 12.899 3.967 ( -5.333 4.874 0.740) 7.262 4.089 ( -0.634 5.306 0.671) 5.386 4.159 ( -2.904 -0.490 0.931) 3.089 4.294 ( -6.661 -1.565 -2.154) 7.173 4.540 ( -1.292 0.339 -0.494) 1.424 4.572 ( -0.630 -1.310 -0.527) 1.546 5.143 ( 11.987 0.325 -7.236) 14.005 7.388 ( 1.895 -1.483 15.191) 15.380 8.160 ( 3.035 -3.674 -6.340) 7.932 8.440 ( 7.882 0.101 -3.551) 8.646 9.023 ( 7.202 -2.243 -13.125) 15.138 9.619 ( -4.217 -0.086 7.082) 8.243 9.823 ( -2.736 -0.452 -0.430) 2.806 10.585 ( -0.441 3.429 0.420) 3.482 10.645 ( 0.404 -0.953 0.108) 1.041 12.741 ( -1.459 0.354 0.724) 1.666 12.807 ( -1.229 0.207 -3.168) 3.405 13.291 ( 0.009 0.394 6.303) 6.315 13.557 ( 0.112 0.024 -3.519) 3.521 13.695 ( -1.111 -0.438 -1.130) 1.643 13.890 ( -2.210 1.732 -3.600) 4.565 ======================= Grid point 218 (108/160) ======================= q-point: (-0.22 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 2.516 0.991 1.016) 2.889 1.007 ( -0.291 2.006 -0.914) 2.223 1.079 ( 0.542 -0.919 -0.365) 1.127 1.175 ( -2.385 -1.739 0.144) 2.955 1.324 ( 1.216 0.098 0.863) 1.494 1.431 ( 2.021 -1.377 -0.703) 2.545 1.804 ( -8.173 4.869 -1.840) 9.690 1.862 ( -7.184 2.776 1.105) 7.780 1.924 ( -4.720 4.698 -4.194) 7.870 2.216 ( -2.877 -0.080 0.802) 2.987 2.277 ( 1.045 2.037 2.681) 3.526 2.353 ( -5.239 5.477 2.534) 7.992 2.566 ( -5.493 -2.284 2.197) 6.342 2.992 ( -2.161 -0.190 -3.990) 4.542 3.646 ( -8.017 1.091 7.878) 11.293 3.825 ( -4.886 4.955 2.528) 7.404 3.971 ( -4.609 5.888 2.051) 7.753 4.120 ( -2.366 1.751 0.338) 2.963 4.240 ( -4.870 -3.823 -2.806) 6.797 4.524 ( -0.786 0.131 1.840) 2.005 4.593 ( 0.799 -1.975 -2.887) 3.588 5.278 ( 10.793 1.785 -7.783) 13.425 7.458 ( 1.075 -0.516 14.365) 14.415 8.280 ( 6.244 -6.637 -7.827) 12.012 8.533 ( 7.814 1.581 -3.701) 8.790 9.106 ( 3.347 -1.478 -10.009) 10.657 9.595 ( -1.869 -1.365 5.302) 5.785 9.797 ( -2.277 -1.387 0.592) 2.731 10.527 ( -1.095 4.095 0.816) 4.317 10.653 ( -0.260 -0.311 -0.476) 0.625 12.715 ( -1.679 0.445 1.336) 2.191 12.781 ( -1.026 0.218 -2.704) 2.901 13.297 ( -0.294 0.509 5.777) 5.807 13.554 ( 0.486 -0.259 -3.600) 3.641 13.691 ( -0.196 -0.886 -1.884) 2.091 13.818 ( -2.882 2.547 -1.944) 4.310 ======================= Grid point 219 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 2.887 3.576 -3.511) 5.784 0.968 ( -0.988 1.490 1.376) 2.256 1.061 ( -3.179 -0.225 1.255) 3.426 1.210 ( -0.257 -5.890 1.270) 6.031 1.343 ( -0.321 0.049 1.615) 1.647 1.445 ( 1.200 1.419 -0.089) 1.860 1.557 ( -13.405 9.257 2.851) 16.538 1.734 ( -5.741 2.291 0.352) 6.192 1.782 ( -5.504 7.090 1.034) 9.036 2.171 ( 0.837 -0.011 -2.373) 2.516 2.255 ( -1.433 -1.580 1.044) 2.374 2.304 ( -0.793 0.403 1.547) 1.784 2.547 ( -4.916 -5.490 3.135) 8.008 2.992 ( 0.764 -1.563 -4.694) 5.006 3.527 ( -6.711 1.626 2.816) 7.457 3.739 ( -3.581 1.012 4.923) 6.171 3.864 ( -2.654 2.580 4.267) 5.649 4.069 ( -2.473 0.038 0.522) 2.527 4.227 ( -3.339 -3.905 -3.816) 6.400 4.515 ( -0.760 0.512 2.662) 2.816 4.625 ( 1.154 -1.853 -4.104) 4.648 5.356 ( 7.713 4.263 -8.145) 12.000 7.488 ( -0.457 1.253 13.160) 13.228 8.435 ( 6.535 -4.944 -10.465) 13.291 8.612 ( 6.781 1.043 -1.055) 6.942 9.090 ( -2.170 1.955 -6.298) 6.943 9.615 ( -0.536 -1.971 2.855) 3.510 9.808 ( 0.179 -2.718 0.647) 2.800 10.462 ( -1.346 3.301 1.209) 3.764 10.647 ( -0.739 -0.285 -0.952) 1.238 12.692 ( -1.272 0.172 1.560) 2.021 12.766 ( -0.247 -0.235 -2.086) 2.113 13.294 ( -0.851 0.619 4.784) 4.899 13.561 ( 0.639 -0.696 -3.343) 3.474 13.696 ( -0.262 -0.326 -1.859) 1.905 13.755 ( -1.267 1.082 -1.192) 2.049 ======================= Grid point 226 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 2.921 -0.000 4.672) 5.510 1.042 ( -0.806 0.000 0.791) 1.129 1.060 ( 2.464 -0.000 -3.599) 4.362 1.140 ( -4.498 0.000 -1.004) 4.609 1.346 ( -0.669 0.000 1.153) 1.333 1.395 ( 4.928 -0.000 -1.342) 5.108 1.861 ( -7.787 0.000 -2.200) 8.092 1.900 ( -8.424 0.000 1.557) 8.566 1.986 ( -4.602 0.000 -3.780) 5.956 2.208 ( -2.987 0.000 -0.409) 3.014 2.318 ( -0.663 0.000 2.994) 3.067 2.376 ( -5.074 0.000 0.972) 5.166 2.619 ( -0.984 0.000 -0.477) 1.093 2.950 ( -12.581 0.000 -1.678) 12.692 3.659 ( -8.166 0.000 10.959) 13.667 3.914 ( -6.901 0.000 0.840) 6.952 4.051 ( -8.262 0.000 1.841) 8.464 4.148 ( -2.034 0.000 -2.890) 3.534 4.159 ( -6.625 0.000 -0.139) 6.626 4.542 ( -1.390 0.000 2.849) 3.170 4.552 ( 1.730 -0.000 -3.122) 3.569 5.301 ( 11.905 -0.000 -7.885) 14.279 7.459 ( 3.982 -0.000 15.257) 15.769 8.184 ( 5.881 -0.000 -7.007) 9.148 8.564 ( 9.830 -0.000 -4.330) 10.741 9.076 ( 5.907 -0.000 -12.124) 13.486 9.579 ( -3.065 0.000 6.570) 7.250 9.778 ( -2.995 0.000 0.677) 3.071 10.604 ( -0.817 0.000 -1.897) 2.066 10.626 ( -1.550 0.000 1.987) 2.520 12.721 ( -1.887 0.000 1.347) 2.318 12.785 ( -1.090 0.000 -3.114) 3.300 13.303 ( -0.677 0.000 6.479) 6.514 13.551 ( 0.277 -0.000 -3.879) 3.889 13.679 ( -0.175 0.000 -1.913) 1.921 13.852 ( -3.735 0.000 -2.066) 4.269 ======================= Grid point 227 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.717 0.810 2.639) 4.630 1.010 ( -2.761 1.410 -0.219) 3.108 1.077 ( -4.215 -3.647 0.603) 5.606 1.079 ( -1.194 0.775 -2.736) 3.084 1.346 ( 0.697 0.269 2.326) 2.443 1.465 ( 4.056 0.271 -1.538) 4.346 1.713 ( -10.432 2.947 -1.109) 10.896 1.765 ( -9.595 0.147 1.109) 9.660 1.910 ( -1.714 2.654 -6.006) 6.786 2.149 ( -6.079 -2.062 1.144) 6.520 2.306 ( -0.756 0.816 3.260) 3.445 2.344 ( -1.726 1.692 0.700) 2.516 2.494 ( -8.327 6.972 1.779) 11.005 2.832 ( -10.458 -9.888 -0.614) 14.405 3.565 ( -7.723 0.895 9.510) 12.283 3.795 ( -6.797 2.280 1.599) 7.346 3.912 ( -9.155 1.574 1.460) 9.403 4.053 ( -8.859 -3.855 -1.159) 9.731 4.133 ( -1.965 -0.022 -2.341) 3.057 4.530 ( -0.348 0.554 2.980) 3.051 4.587 ( 2.308 -1.234 -3.093) 4.052 5.430 ( 9.829 1.538 -8.937) 13.374 7.542 ( 4.166 2.033 14.580) 15.299 8.295 ( 7.998 -4.070 -7.957) 11.994 8.678 ( 9.255 2.326 -4.632) 10.607 9.114 ( 1.720 0.136 -8.631) 8.801 9.575 ( 0.158 -0.956 4.048) 4.163 9.750 ( -2.099 -1.405 1.749) 3.072 10.549 ( -2.456 3.266 0.025) 4.087 10.619 ( -2.381 -1.954 -0.152) 3.084 12.697 ( -1.807 0.122 1.852) 2.590 12.765 ( -0.605 0.066 -2.663) 2.732 13.302 ( -1.322 0.086 6.036) 6.180 13.548 ( 0.366 -0.259 -4.236) 4.260 13.681 ( 0.780 -0.411 -2.658) 2.800 13.784 ( -4.351 0.739 -0.412) 4.432 ======================= Grid point 228 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 4.295 3.034 -1.705) 5.528 0.947 ( -4.054 -1.806 0.545) 4.472 1.004 ( -4.705 1.149 1.671) 5.123 1.126 ( 0.186 -6.042 0.339) 6.055 1.327 ( -4.667 2.848 3.537) 6.512 1.456 ( -6.079 4.910 1.549) 7.966 1.517 ( -4.005 3.520 0.517) 5.357 1.643 ( -7.514 -1.124 0.391) 7.607 1.814 ( -3.699 7.648 0.495) 8.510 2.150 ( 0.746 -4.894 -2.796) 5.686 2.191 ( -7.575 1.196 0.907) 7.722 2.297 ( -1.872 0.191 4.421) 4.805 2.438 ( -0.849 -3.428 0.666) 3.594 2.843 ( -8.366 -11.651 -1.099) 14.386 3.461 ( -6.287 1.471 5.336) 8.377 3.688 ( -6.768 0.817 2.594) 7.294 3.809 ( -5.573 -2.837 3.267) 7.056 3.985 ( -7.361 -3.935 0.394) 8.356 4.104 ( -3.624 -3.225 -4.242) 6.444 4.525 ( -0.413 0.719 3.627) 3.720 4.629 ( 2.752 -0.762 -4.004) 4.918 5.490 ( 6.243 4.015 -10.098) 12.532 7.580 ( 3.230 4.962 13.192) 14.460 8.452 ( 7.680 -4.714 -8.772) 12.576 8.746 ( 7.181 3.799 -3.254) 8.752 9.075 ( -1.952 2.564 -5.654) 6.508 9.601 ( 0.430 -0.507 2.614) 2.698 9.780 ( 1.283 -3.645 1.161) 4.035 10.468 ( -3.571 2.592 1.012) 4.527 10.605 ( -2.778 -1.955 -1.087) 3.567 12.679 ( -1.184 -0.103 1.983) 2.312 12.758 ( 0.261 -0.283 -2.008) 2.044 13.290 ( -1.985 0.218 5.129) 5.504 13.549 ( 0.239 -0.772 -4.435) 4.508 13.687 ( -0.562 0.219 -1.470) 1.589 13.731 ( -1.628 -0.826 -0.865) 2.021 ======================= Grid point 236 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 2.772 -0.000 3.353) 4.351 0.930 ( -8.855 0.000 1.886) 9.054 0.997 ( -1.865 0.000 -0.126) 1.870 1.073 ( -1.125 0.000 -3.229) 3.419 1.373 ( 1.562 -0.000 3.161) 3.526 1.515 ( 1.799 -0.000 -1.472) 2.324 1.590 ( -9.889 0.000 -1.583) 10.015 1.612 ( -10.736 0.000 1.269) 10.811 1.934 ( 5.063 -0.000 -8.891) 10.232 2.014 ( -9.475 0.000 1.516) 9.596 2.295 ( -2.275 0.000 6.241) 6.643 2.368 ( 1.892 -0.000 -0.026) 1.892 2.460 ( -21.749 0.000 5.529) 22.441 2.510 ( -6.035 0.000 0.959) 6.111 3.497 ( -6.121 0.000 9.689) 11.460 3.698 ( -8.191 0.000 0.990) 8.250 3.793 ( -9.997 0.000 1.613) 10.126 3.875 ( -9.739 0.000 -3.601) 10.384 4.088 ( -3.891 0.000 -2.035) 4.391 4.534 ( -0.559 0.000 3.957) 3.996 4.614 ( 3.484 -0.000 -3.543) 4.969 5.542 ( 7.207 -0.000 -10.847) 13.022 7.660 ( 5.108 -0.000 14.621) 15.487 8.373 ( 9.270 -0.000 -9.167) 13.037 8.804 ( 7.349 -0.000 -4.624) 8.682 9.111 ( -0.460 0.000 -5.906) 5.924 9.603 ( 3.469 -0.000 1.543) 3.797 9.718 ( -1.281 0.000 2.942) 3.209 10.535 ( -5.417 0.000 2.067) 5.798 10.547 ( -2.575 0.000 -2.365) 3.496 12.678 ( -1.504 0.000 2.271) 2.724 12.755 ( -0.018 0.000 -2.238) 2.238 13.291 ( -2.010 0.000 5.729) 6.071 13.540 ( 0.028 -0.000 -5.065) 5.065 13.690 ( 1.639 -0.000 -3.477) 3.844 13.720 ( -4.972 0.000 1.315) 5.143 ======================= Grid point 237 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -7.958 -2.733 5.483) 10.044 0.923 ( 3.795 -0.214 0.696) 3.864 0.961 ( -3.559 0.122 -0.103) 3.562 1.073 ( -0.225 -3.200 -0.831) 3.314 1.311 ( -7.702 7.398 3.647) 11.285 1.451 ( -7.398 5.303 2.258) 9.379 1.469 ( -4.294 -0.077 1.055) 4.423 1.538 ( -0.818 -3.092 -2.677) 4.171 1.841 ( -6.752 5.609 1.566) 8.917 2.061 ( -8.373 -0.201 -0.149) 8.377 2.096 ( -2.110 -3.441 -1.317) 4.246 2.299 ( 0.475 0.840 7.644) 7.705 2.430 ( 1.721 -2.386 0.177) 2.948 2.515 ( -10.753 -12.802 2.405) 16.891 3.417 ( -5.266 2.237 6.718) 8.824 3.581 ( -10.063 0.942 0.523) 10.121 3.670 ( -7.218 -4.523 2.048) 8.761 3.783 ( -9.478 -7.243 -3.790) 12.516 4.030 ( -3.675 -0.382 -0.335) 3.710 4.533 ( -0.683 0.299 4.503) 4.564 4.662 ( 4.010 -0.204 -4.230) 5.832 5.578 ( 3.615 2.484 -12.873) 13.600 7.731 ( 4.232 4.404 13.679) 14.981 8.502 ( 8.743 -2.339 -9.768) 13.316 8.859 ( 3.615 2.237 -3.205) 5.323 9.073 ( -1.098 1.823 -4.514) 4.990 9.640 ( 2.913 2.442 1.651) 4.145 9.759 ( 2.402 -4.199 1.644) 5.109 10.432 ( -5.973 2.123 1.668) 6.555 10.523 ( -3.643 -2.676 -1.775) 4.856 12.667 ( -0.860 -0.185 2.383) 2.540 12.757 ( 0.692 -0.289 -1.625) 1.790 13.271 ( -2.346 0.200 5.012) 5.538 13.527 ( -0.627 -0.717 -5.477) 5.559 13.659 ( -3.678 -0.046 2.042) 4.207 13.713 ( 1.668 -0.798 -3.755) 4.186 ======================= Grid point 246 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -4.739 0.000 10.036) 11.098 0.909 ( -4.027 0.000 1.468) 4.286 0.968 ( 2.940 -0.000 0.674) 3.016 1.018 ( -5.491 0.000 2.719) 6.127 1.288 ( -4.235 0.000 0.971) 4.345 1.317 ( -9.560 0.000 3.892) 10.321 1.499 ( -0.842 0.000 -2.846) 2.968 1.518 ( 3.784 -0.000 -1.343) 4.015 1.761 ( -7.953 0.000 1.085) 8.026 1.791 ( -24.291 0.000 12.528) 27.331 2.155 ( 10.790 -0.000 -8.655) 13.832 2.267 ( -7.688 0.000 3.138) 8.304 2.396 ( 7.967 -0.000 8.749) 11.833 2.475 ( 2.034 -0.000 -0.089) 2.036 3.356 ( -10.017 0.000 6.005) 11.679 3.447 ( -9.908 0.000 -0.223) 9.911 3.539 ( -7.551 0.000 2.549) 7.969 3.569 ( -6.889 0.000 -7.204) 9.968 3.987 ( -2.607 0.000 5.108) 5.735 4.535 ( -0.731 0.000 5.109) 5.161 4.714 ( 4.627 -0.000 -4.706) 6.600 5.593 ( 0.559 -0.000 -15.620) 15.630 7.841 ( 2.544 -0.000 13.805) 14.037 8.595 ( 9.063 -0.000 -11.130) 14.353 8.889 ( -0.416 0.000 -1.801) 1.848 9.060 ( -0.751 0.000 -3.671) 3.747 9.735 ( 4.690 -0.000 -0.074) 4.691 9.761 ( 3.338 -0.000 2.372) 4.095 10.354 ( -7.629 0.000 2.641) 8.073 10.450 ( -3.022 0.000 -2.497) 3.921 12.662 ( -0.410 0.000 2.571) 2.604 12.764 ( 1.030 -0.000 -1.130) 1.529 13.253 ( -1.864 0.000 4.436) 4.812 13.490 ( -1.896 0.000 -4.828) 5.187 13.616 ( -2.550 0.000 1.950) 3.210 13.727 ( 1.999 -0.000 -4.517) 4.940 ======================= Grid point 247 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -2.558 0.000 5.533) 6.095 0.918 ( 1.062 -0.000 -0.681) 1.262 0.980 ( -5.196 0.000 9.983) 11.254 1.050 ( 0.804 -0.000 1.208) 1.451 1.213 ( 0.156 -0.000 -3.407) 3.411 1.218 ( 2.102 -0.000 -2.015) 2.912 1.484 ( -0.360 0.000 3.040) 3.062 1.518 ( -3.383 0.000 -0.887) 3.497 1.573 ( -7.405 0.000 7.763) 10.728 1.709 ( 10.795 -0.000 -5.174) 11.971 2.149 ( -8.072 0.000 4.980) 9.485 2.264 ( 8.999 -0.000 -6.683) 11.209 2.521 ( -0.251 0.000 1.792) 1.810 2.570 ( -1.481 0.000 -3.119) 3.453 3.191 ( 4.704 -0.000 0.013) 4.704 3.199 ( -3.523 0.000 -0.923) 3.642 3.473 ( -1.984 0.000 3.051) 3.640 3.527 ( 3.243 -0.000 -2.492) 4.090 4.379 ( 0.150 -0.000 21.277) 21.278 4.680 ( 3.653 -0.000 -9.538) 10.213 4.705 ( 2.397 -0.000 10.975) 11.234 5.031 ( -5.670 0.000 -22.458) 23.163 8.166 ( -4.058 0.000 15.095) 15.631 8.461 ( 4.435 -0.000 -15.512) 16.133 8.899 ( -0.908 0.000 3.451) 3.569 8.969 ( 0.553 -0.000 -3.821) 3.861 9.840 ( 1.607 -0.000 0.236) 1.624 9.843 ( -0.921 0.000 -0.069) 0.923 10.276 ( -1.842 0.000 4.029) 4.430 10.344 ( 1.200 -0.000 -3.110) 3.333 12.723 ( -0.155 0.000 2.615) 2.620 12.766 ( 0.666 -0.000 -1.831) 1.949 13.292 ( -1.680 0.000 3.639) 4.008 13.368 ( 1.267 -0.000 -4.108) 4.299 13.602 ( -1.850 0.000 2.644) 3.227 13.671 ( 2.042 -0.000 -4.339) 4.795 ======================= Grid point 248 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -3.866 0.707 5.461) 6.728 0.923 ( -0.955 -1.491 1.638) 2.412 0.951 ( -0.309 0.645 7.674) 7.707 1.080 ( 0.316 -3.587 0.485) 3.633 1.230 ( 2.005 -1.051 -4.407) 4.954 1.312 ( 8.485 -3.064 -2.704) 9.418 1.466 ( -2.203 -1.708 1.188) 3.030 1.491 ( -3.606 -2.580 3.130) 5.427 1.588 ( 4.800 -0.915 3.738) 6.152 1.872 ( 11.292 -0.156 -3.053) 11.699 2.080 ( -5.992 -3.613 3.499) 7.823 2.405 ( 7.568 -5.201 -4.991) 10.451 2.480 ( -3.051 2.781 2.033) 4.602 2.510 ( -3.456 1.077 -0.393) 3.641 3.231 ( 4.759 -3.456 0.015) 5.881 3.319 ( 8.918 -1.451 -1.332) 9.133 3.538 ( 3.264 -8.275 -0.059) 8.896 3.618 ( 5.258 -5.751 -2.910) 8.318 4.402 ( -1.502 1.558 17.062) 17.199 4.695 ( 2.325 0.981 -11.112) 11.395 4.762 ( 1.225 2.003 12.682) 12.897 4.903 ( -3.804 -0.445 -18.696) 19.084 8.101 ( -6.381 3.327 14.252) 15.966 8.444 ( 1.846 3.716 -14.804) 15.374 8.885 ( -0.802 2.143 3.544) 4.218 8.972 ( -0.276 -1.207 -3.811) 4.007 9.798 ( -3.487 1.409 -0.646) 3.816 9.850 ( 0.413 0.039 -0.006) 0.415 10.297 ( 1.256 -1.676 3.793) 4.333 10.388 ( 3.821 -1.908 -2.364) 4.882 12.726 ( -0.391 -0.174 2.180) 2.222 12.769 ( 0.448 0.019 -2.307) 2.351 13.283 ( -0.914 -0.270 4.221) 4.327 13.395 ( 2.650 -1.142 -4.210) 5.104 13.591 ( -1.195 -0.801 2.458) 2.848 13.694 ( 2.227 -0.184 -3.748) 4.363 ======================= Grid point 249 (118/160) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -1.262 4.398 2.440) 5.185 0.940 ( -0.327 -1.968 2.527) 3.219 1.005 ( 2.911 -3.949 3.414) 5.977 1.144 ( 0.169 -4.702 0.780) 4.769 1.265 ( 2.445 -0.708 -4.978) 5.591 1.431 ( 4.669 1.622 -5.272) 7.227 1.472 ( 0.535 -0.569 1.351) 1.561 1.516 ( 0.044 -6.493 2.856) 7.094 1.704 ( 3.482 -2.884 2.683) 5.257 2.019 ( 3.954 -9.776 0.897) 10.583 2.097 ( 4.979 0.734 -1.809) 5.348 2.417 ( -1.463 1.298 2.711) 3.343 2.432 ( -2.667 2.580 -0.391) 3.731 2.592 ( 5.550 -7.987 0.117) 9.727 3.373 ( 6.838 -2.877 0.520) 7.436 3.458 ( 7.200 -4.474 -0.212) 8.480 3.727 ( 7.114 -8.229 -1.560) 10.989 3.804 ( 6.703 -10.336 -3.502) 12.807 4.370 ( -2.879 4.306 13.593) 14.547 4.649 ( -2.540 3.199 -15.419) 15.950 4.698 ( -1.683 2.759 -0.835) 3.338 4.932 ( 3.612 -3.055 2.918) 5.559 7.974 ( -7.355 5.226 11.506) 14.622 8.378 ( 0.646 4.411 -11.789) 12.604 8.831 ( -1.024 5.386 3.492) 6.500 8.967 ( -2.022 -1.932 -4.343) 5.165 9.736 ( -2.431 0.940 -1.079) 2.820 9.855 ( -0.175 -0.550 -0.157) 0.598 10.351 ( 1.952 -1.639 2.916) 3.873 10.475 ( 4.540 -2.611 -1.261) 5.386 12.725 ( -0.736 -0.259 1.679) 1.852 12.767 ( 0.264 0.371 -2.438) 2.480 13.294 ( -0.144 -1.120 4.860) 4.990 13.447 ( 3.655 -1.194 -5.080) 6.371 13.599 ( -0.751 -1.762 2.367) 3.045 13.718 ( 2.003 0.181 -2.667) 3.341 ======================= Grid point 250 (119/160) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -1.612 5.232 0.369) 5.487 0.976 ( 1.056 -2.137 1.523) 2.829 1.124 ( 4.329 -4.350 1.274) 6.268 1.187 ( -0.521 -2.176 2.354) 3.248 1.289 ( 2.277 0.257 -4.627) 5.164 1.441 ( 0.423 0.035 -0.185) 0.463 1.481 ( -1.237 -1.020 -0.105) 1.607 1.610 ( 2.387 -2.673 0.486) 3.616 1.729 ( -3.151 -2.429 2.614) 4.760 2.133 ( 2.871 0.289 -1.019) 3.060 2.239 ( 5.442 -5.403 -3.521) 8.438 2.367 ( -1.493 2.420 -0.599) 2.906 2.470 ( 6.300 -6.988 0.245) 9.412 2.748 ( 3.207 -5.224 4.337) 7.509 3.463 ( 2.913 -1.139 -0.832) 3.237 3.633 ( 7.080 -5.245 0.690) 8.838 3.915 ( 6.014 -6.233 0.543) 8.678 4.013 ( 5.709 -8.812 -3.607) 11.101 4.267 ( -4.028 7.590 9.195) 12.585 4.547 ( -2.654 1.230 -8.957) 9.423 4.651 ( -0.673 2.370 -3.159) 4.007 5.034 ( 3.689 -3.250 3.546) 6.061 7.832 ( -6.488 4.635 9.225) 12.194 8.305 ( -0.183 3.802 -9.021) 9.791 8.756 ( 0.249 5.665 2.804) 6.326 8.947 ( -3.032 -2.276 -4.585) 5.950 9.702 ( -0.975 0.511 -0.798) 1.359 9.857 ( -0.311 -0.410 -0.220) 0.560 10.400 ( 1.513 -1.208 2.176) 2.913 10.564 ( 3.583 -2.197 -0.717) 4.263 12.720 ( -0.879 -0.284 1.292) 1.588 12.758 ( 0.237 0.732 -2.183) 2.315 13.323 ( 0.070 -1.618 4.824) 5.089 13.495 ( 3.216 -0.074 -5.095) 6.026 13.625 ( -0.139 -2.674 1.614) 3.126 13.732 ( 1.444 0.841 -1.592) 2.308 ======================= Grid point 251 (120/160) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -1.254 1.726 -1.178) 2.437 1.020 ( 1.585 -0.732 1.442) 2.265 1.165 ( 0.548 2.920 4.220) 5.161 1.234 ( -0.158 -3.726 -3.847) 5.358 1.324 ( 1.903 -2.151 -0.018) 2.873 1.435 ( -0.807 1.308 2.427) 2.873 1.459 ( -2.977 -1.237 0.052) 3.224 1.640 ( -1.339 -1.877 0.986) 2.507 1.732 ( -1.392 -1.849 1.663) 2.849 2.154 ( 3.798 2.793 -3.079) 5.631 2.294 ( -0.541 -1.781 0.323) 1.889 2.326 ( -0.467 2.014 -0.177) 2.075 2.667 ( 3.659 -4.258 -1.381) 5.781 2.841 ( 3.259 -3.359 1.422) 4.892 3.489 ( 0.433 0.159 -0.957) 1.062 3.758 ( 2.978 -2.041 0.659) 3.670 4.035 ( 2.006 -1.950 4.359) 5.179 4.124 ( -0.552 1.574 2.304) 2.844 4.170 ( 1.046 0.244 -0.038) 1.074 4.498 ( -1.308 -0.063 -5.254) 5.415 4.609 ( -0.549 1.734 -1.373) 2.279 5.126 ( 2.656 -3.517 -0.735) 4.469 7.731 ( -4.387 1.870 9.461) 10.595 8.255 ( 1.396 1.479 -9.229) 9.451 8.720 ( 1.798 3.292 2.367) 4.435 8.922 ( -3.110 -2.265 -4.167) 5.671 9.685 ( -0.419 0.683 0.211) 0.828 9.856 ( 0.040 0.196 -0.114) 0.230 10.431 ( 0.649 -0.777 1.224) 1.588 10.619 ( 1.408 -0.899 -0.567) 1.764 12.714 ( -0.719 -0.287 1.203) 1.431 12.748 ( 0.462 0.870 -1.778) 2.032 13.351 ( -0.489 -1.478 4.418) 4.684 13.514 ( 1.650 0.924 -4.125) 4.538 13.660 ( 0.167 -1.915 0.312) 1.947 13.732 ( 0.876 1.073 -1.050) 1.738 ======================= Grid point 252 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 1.029 -4.314 -2.252) 4.974 1.031 ( 0.352 1.922 0.412) 1.997 1.135 ( 0.499 4.209 5.325) 6.806 1.243 ( -1.256 -1.444 -3.187) 3.717 1.308 ( -7.019 -0.753 1.834) 7.294 1.415 ( -3.341 0.111 4.083) 5.277 1.465 ( 2.436 -0.885 -0.020) 2.592 1.647 ( -1.490 -2.004 0.171) 2.503 1.725 ( -1.689 -0.223 2.331) 2.887 2.157 ( 2.797 3.312 -3.031) 5.290 2.289 ( -0.286 2.688 0.382) 2.730 2.310 ( -0.973 -1.919 1.387) 2.560 2.622 ( -4.927 6.194 2.629) 8.340 2.913 ( 1.491 0.305 -5.079) 5.302 3.478 ( -0.747 0.774 0.290) 1.114 3.759 ( -2.519 2.535 0.696) 3.641 4.030 ( -1.517 3.826 7.018) 8.136 4.096 ( -0.759 2.797 2.057) 3.554 4.159 ( -2.386 1.251 0.239) 2.705 4.496 ( 1.337 -1.465 -4.544) 4.958 4.591 ( -0.131 0.113 0.607) 0.631 5.191 ( 1.055 -3.668 -6.683) 7.697 7.715 ( -1.083 -2.449 10.492) 10.828 8.273 ( 4.025 -1.212 -10.560) 11.366 8.733 ( 2.520 0.084 1.687) 3.034 8.903 ( -2.246 -2.194 -2.919) 4.286 9.673 ( -0.104 0.881 1.433) 1.685 9.854 ( 0.596 0.841 0.106) 1.036 10.441 ( -0.505 -0.225 0.284) 0.621 10.619 ( -1.248 0.833 -0.614) 1.621 12.712 ( -0.437 -0.255 1.510) 1.592 12.743 ( 0.861 0.823 -1.434) 1.864 13.363 ( -1.465 -1.020 4.061) 4.436 13.501 ( 0.137 1.624 -3.712) 4.054 13.671 ( 0.036 0.312 -0.539) 0.624 13.728 ( 0.113 0.451 -0.815) 0.938 ======================= Grid point 253 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 2.016 -6.966 -2.973) 7.837 0.990 ( -0.545 3.519 0.162) 3.565 1.094 ( -0.038 4.826 4.023) 6.283 1.208 ( -2.016 3.110 0.596) 3.754 1.237 ( -4.520 -1.877 0.765) 4.954 1.357 ( -7.355 -1.995 6.325) 9.904 1.493 ( -0.551 -0.833 0.322) 1.049 1.620 ( -1.119 3.316 -0.646) 3.559 1.733 ( -0.848 -2.880 2.011) 3.613 2.115 ( -5.011 2.651 1.501) 5.864 2.223 ( 1.969 8.537 -2.812) 9.202 2.341 ( 0.184 -3.233 2.300) 3.972 2.484 ( -2.021 4.718 -0.440) 5.151 2.823 ( -5.151 7.950 -3.332) 10.042 3.449 ( -1.773 1.287 0.960) 2.392 3.637 ( -7.447 5.079 0.521) 9.030 3.928 ( -4.065 7.803 0.454) 8.811 3.956 ( -6.936 8.814 1.511) 11.317 4.166 ( 0.778 -0.961 12.514) 12.575 4.538 ( 2.721 -1.775 -5.672) 6.536 4.602 ( 0.326 -0.850 2.504) 2.664 5.217 ( -0.818 -3.600 -12.792) 13.314 7.810 ( 2.493 -6.853 10.732) 12.975 8.327 ( 3.910 -1.230 -10.643) 11.405 8.800 ( 3.701 -3.035 0.343) 4.799 8.902 ( -1.113 -2.250 -1.886) 3.139 9.671 ( 0.823 0.500 2.270) 2.465 9.852 ( 0.991 1.311 0.302) 1.671 10.423 ( -1.907 0.489 -0.042) 1.969 10.564 ( -3.378 2.329 -0.781) 4.176 12.714 ( -0.245 -0.130 2.093) 2.112 12.745 ( 1.190 0.694 -1.250) 1.860 13.355 ( -2.346 -0.604 4.100) 4.762 13.463 ( -0.770 2.148 -4.220) 4.798 13.661 ( 0.361 1.050 -1.513) 1.876 13.713 ( -1.113 0.787 -0.110) 1.367 ======================= Grid point 254 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 1.287 -3.959 -1.453) 4.409 0.945 ( -0.351 2.706 0.900) 2.873 1.045 ( 1.075 3.557 0.786) 3.798 1.147 ( 0.020 6.141 0.257) 6.147 1.190 ( -4.878 -1.950 3.978) 6.589 1.309 ( -8.587 -6.388 4.706) 11.692 1.473 ( -1.617 1.456 1.532) 2.661 1.566 ( 2.283 4.777 -2.059) 5.681 1.733 ( -4.673 -1.165 0.140) 4.818 1.949 ( -12.387 1.656 4.184) 13.179 2.169 ( 7.604 9.289 -5.782) 13.324 2.408 ( 1.683 -4.003 2.353) 4.939 2.459 ( 1.723 -0.082 -1.306) 2.164 2.580 ( -8.851 12.194 1.431) 15.135 3.394 ( -4.496 1.851 -1.309) 5.035 3.448 ( -9.000 4.753 1.249) 10.255 3.715 ( -7.344 10.099 -0.559) 12.499 3.756 ( -5.213 10.273 1.823) 11.663 4.232 ( 1.544 -0.892 19.482) 19.563 4.588 ( 3.511 -1.333 -7.034) 7.974 4.628 ( 0.566 -0.919 4.542) 4.668 5.201 ( -2.646 -3.108 -17.966) 18.424 7.984 ( 3.622 -8.566 11.572) 14.846 8.362 ( 3.166 -0.601 -11.199) 11.654 8.884 ( 1.900 -1.244 2.943) 3.717 8.925 ( 0.898 -3.620 -4.951) 6.199 9.703 ( 2.718 -1.059 2.178) 3.640 9.850 ( 1.059 1.440 0.347) 1.821 10.378 ( -3.065 0.869 0.539) 3.231 10.470 ( -4.174 3.214 -1.141) 5.390 12.717 ( -0.169 0.063 2.617) 2.623 12.752 ( 1.198 0.514 -1.210) 1.779 13.333 ( -2.732 -0.371 4.493) 5.272 13.415 ( -0.575 2.035 -5.299) 5.705 13.651 ( 0.298 0.689 -1.647) 1.810 13.679 ( -1.531 1.339 0.091) 2.036 ======================= Grid point 255 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.289 -0.934 2.807) 3.227 0.913 ( -0.004 1.813 0.538) 1.892 1.039 ( 1.127 1.603 0.818) 2.124 1.055 ( -3.961 3.006 5.374) 7.322 1.190 ( -1.197 -3.370 -0.899) 3.687 1.265 ( -4.231 0.189 -0.698) 4.292 1.460 ( 1.078 -0.588 0.960) 1.559 1.550 ( 2.133 3.226 -1.833) 4.280 1.656 ( -3.115 0.142 -2.566) 4.039 1.758 ( -14.742 1.608 7.479) 16.609 2.180 ( 9.234 5.711 -5.787) 12.303 2.303 ( -8.767 7.513 5.004) 12.584 2.495 ( 1.692 -1.345 0.382) 2.195 2.526 ( 3.842 -3.619 -1.693) 5.543 3.239 ( -6.694 4.125 -0.405) 7.873 3.311 ( -7.720 2.205 -0.410) 8.039 3.541 ( -1.100 6.159 0.025) 6.256 3.571 ( -4.245 7.545 1.900) 8.863 4.312 ( 1.495 -0.654 22.762) 22.820 4.638 ( 4.037 -0.779 -8.230) 9.200 4.660 ( 1.016 -0.416 7.001) 7.086 5.140 ( -4.330 -1.842 -21.292) 21.806 8.135 ( -0.037 -5.112 14.627) 15.495 8.403 ( 5.129 -1.718 -14.523) 15.497 8.902 ( -0.744 -0.402 3.386) 3.490 8.966 ( 1.163 -0.890 -4.663) 4.887 9.780 ( 3.793 -2.386 1.152) 4.627 9.847 ( 0.708 1.006 0.226) 1.251 10.323 ( -3.748 0.756 2.572) 4.608 10.375 ( -2.426 2.763 -2.498) 4.445 12.720 ( -0.127 0.134 2.806) 2.812 12.760 ( 0.939 0.255 -1.384) 1.692 13.310 ( -2.353 -0.280 4.229) 4.848 13.378 ( 0.182 1.330 -5.230) 5.399 13.631 ( -2.339 0.521 2.617) 3.548 13.659 ( 1.494 0.734 -4.183) 4.502 ======================= Grid point 257 (125/160) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 1.091 -0.000 5.307) 5.418 0.917 ( 1.023 -0.000 -0.762) 1.276 0.958 ( -0.089 0.000 5.815) 5.816 1.056 ( -0.091 0.000 -0.625) 0.632 1.284 ( 5.650 -0.000 -2.584) 6.213 1.395 ( 5.659 -0.000 1.858) 5.956 1.456 ( 3.859 -0.000 -0.938) 3.971 1.464 ( 0.498 -0.000 1.003) 1.120 1.678 ( 7.574 -0.000 4.365) 8.742 1.865 ( -7.804 0.000 5.739) 9.687 2.161 ( 14.062 -0.000 -4.190) 14.673 2.441 ( -2.323 0.000 -0.903) 2.493 2.458 ( 3.321 -0.000 -2.565) 4.196 2.460 ( -2.849 0.000 1.224) 3.101 3.335 ( 11.859 -0.000 0.993) 11.900 3.492 ( 13.036 -0.000 -4.269) 13.718 3.530 ( 5.263 -0.000 0.684) 5.308 3.657 ( 6.671 -0.000 -3.657) 7.608 4.422 ( -1.778 0.000 12.653) 12.777 4.694 ( 0.483 -0.000 -16.482) 16.489 4.778 ( -4.830 0.000 -15.382) 16.123 4.851 ( 2.032 -0.000 18.683) 18.793 8.051 ( -8.084 0.000 14.552) 16.646 8.435 ( -1.147 0.000 -15.229) 15.272 8.903 ( -0.407 0.000 2.971) 2.999 8.935 ( -2.714 0.000 -2.616) 3.770 9.752 ( -3.832 0.000 -0.231) 3.839 9.841 ( -0.546 0.000 -1.391) 1.494 10.333 ( 3.344 -0.000 3.447) 4.803 10.438 ( 5.340 -0.000 -1.818) 5.641 12.722 ( -0.620 0.000 1.642) 1.756 12.773 ( 0.693 -0.000 -2.709) 2.796 13.280 ( -0.432 0.000 4.613) 4.633 13.427 ( 4.024 -0.000 -3.865) 5.580 13.578 ( -0.642 0.000 2.056) 2.154 13.720 ( 2.589 -0.000 -3.230) 4.140 ======================= Grid point 258 (126/160) ======================= q-point: ( 0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 2.161 4.742 1.618) 5.457 0.955 ( 2.426 1.551 0.430) 2.911 0.969 ( 1.220 -4.535 2.012) 5.109 1.097 ( 0.841 -4.843 -0.653) 4.959 1.339 ( 5.301 2.797 -1.789) 6.255 1.432 ( -1.704 -2.100 1.878) 3.293 1.489 ( 3.764 1.477 1.511) 4.317 1.585 ( 10.302 -0.584 -2.625) 10.647 1.716 ( -3.643 3.139 5.117) 7.022 1.919 ( 7.748 -11.150 1.554) 13.666 2.284 ( 7.602 4.955 -1.875) 9.266 2.383 ( -4.444 -0.699 1.868) 4.871 2.436 ( 2.370 2.132 -0.950) 3.326 2.583 ( 6.084 -6.993 -0.570) 9.287 3.516 ( 11.761 3.346 0.051) 12.228 3.561 ( 9.414 1.474 -0.046) 9.529 3.756 ( 10.297 -8.624 -2.803) 13.721 3.788 ( 7.914 -5.050 -3.350) 9.968 4.404 ( -2.367 2.473 9.884) 10.460 4.610 ( -2.604 3.034 -21.700) 22.065 4.699 ( -1.674 1.500 -2.869) 3.645 4.936 ( 0.523 -3.724 14.709) 15.182 7.942 ( -8.554 3.045 13.405) 16.190 8.367 ( -2.430 0.996 -13.962) 14.207 8.863 ( -3.960 2.225 0.712) 4.598 8.896 ( -2.861 -1.072 -0.117) 3.058 9.709 ( -1.521 0.081 -1.063) 1.857 9.836 ( -0.391 -0.764 -1.529) 1.754 10.388 ( 3.248 0.039 2.866) 4.332 10.519 ( 5.069 -1.089 -1.037) 5.287 12.716 ( -0.642 -0.050 1.101) 1.275 12.775 ( 0.880 0.460 -2.825) 2.994 13.293 ( 0.005 -0.685 5.304) 5.348 13.485 ( 4.744 -0.452 -5.037) 6.934 13.581 ( -0.174 -0.760 1.988) 2.135 13.748 ( 2.382 0.379 -2.295) 3.330 ======================= Grid point 259 (127/160) ======================= q-point: ( 0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -0.929 8.317 0.825) 8.409 0.988 ( 3.093 -0.871 -0.393) 3.237 1.078 ( 1.706 -6.514 0.887) 6.792 1.161 ( 0.132 -3.716 -0.655) 3.775 1.357 ( 3.473 3.918 0.138) 5.238 1.419 ( -3.124 -0.977 1.361) 3.545 1.533 ( 6.005 3.945 1.613) 7.364 1.633 ( -3.157 1.605 4.653) 5.848 1.712 ( 7.165 0.574 -0.962) 7.252 2.179 ( 7.886 -6.131 -3.475) 10.576 2.291 ( 3.077 3.091 -0.714) 4.420 2.348 ( -1.960 -0.521 0.692) 2.143 2.493 ( 6.810 -3.328 -2.221) 7.898 2.748 ( 4.820 -4.995 3.162) 7.627 3.565 ( 7.015 5.746 -1.676) 9.222 3.723 ( 9.785 -0.433 0.795) 9.827 3.954 ( 8.236 -3.770 -1.587) 9.196 3.989 ( 6.965 -8.005 -2.506) 10.903 4.327 ( -2.746 6.469 5.988) 9.233 4.506 ( -2.190 1.418 -11.281) 11.579 4.655 ( -1.061 1.502 -2.928) 3.457 5.016 ( -0.759 -4.915 9.033) 10.312 7.809 ( -7.475 3.644 11.633) 14.300 8.289 ( -2.623 0.811 -11.526) 11.848 8.772 ( -5.031 1.046 -1.066) 5.248 8.871 ( -3.120 -1.545 1.040) 3.633 9.699 ( 0.571 0.386 -1.451) 1.606 9.840 ( -0.257 -1.026 -1.219) 1.614 10.431 ( 2.434 0.498 2.256) 3.356 10.593 ( 3.444 -0.984 -0.520) 3.620 12.711 ( -0.360 -0.018 0.761) 0.842 12.773 ( 1.003 0.972 -2.586) 2.939 13.317 ( -0.060 -1.124 5.458) 5.573 13.532 ( 2.866 0.472 -5.307) 6.050 13.609 ( 1.580 -1.659 0.945) 2.478 13.765 ( 1.725 1.107 -1.409) 2.487 ======================= Grid point 260 (128/160) ======================= q-point: ( 0.44 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.589 6.136 0.157) 6.167 1.042 ( 2.507 -0.768 -0.147) 2.626 1.154 ( -1.920 -4.494 0.968) 4.982 1.186 ( -1.437 -2.299 -2.066) 3.409 1.331 ( -0.100 4.256 1.511) 4.518 1.408 ( 0.932 -0.476 2.944) 3.125 1.528 ( -0.230 4.619 5.410) 7.117 1.620 ( 2.662 1.625 1.694) 3.549 1.779 ( 5.861 3.311 -0.496) 6.749 2.240 ( -1.376 -1.829 0.179) 2.296 2.307 ( 5.614 5.817 -3.205) 8.696 2.335 ( 0.346 0.673 -0.276) 0.805 2.656 ( 3.426 -4.731 -1.108) 5.945 2.857 ( 4.270 -2.876 0.048) 5.148 3.573 ( 5.228 6.315 -0.988) 8.258 3.822 ( 5.239 2.235 -0.044) 5.696 4.076 ( 4.563 -0.338 1.838) 4.931 4.126 ( 2.804 -2.663 -2.095) 4.398 4.225 ( -0.520 6.106 2.902) 6.781 4.460 ( -1.372 -0.906 -5.068) 5.328 4.619 ( -0.490 1.637 -1.631) 2.362 5.074 ( -2.117 -5.414 2.430) 6.301 7.708 ( -5.127 1.537 11.526) 12.708 8.238 ( -0.828 -1.177 -11.112) 11.205 8.705 ( -4.121 -1.726 -2.548) 5.143 8.854 ( -3.064 -2.164 2.358) 4.430 9.701 ( 1.460 1.302 -0.894) 2.151 9.848 ( -0.134 -0.979 -0.820) 1.284 10.454 ( 1.538 1.030 1.470) 2.364 10.631 ( 1.012 0.098 -0.368) 1.081 12.710 ( 0.070 0.051 0.754) 0.759 12.769 ( 1.179 1.180 -2.207) 2.767 13.338 ( -0.721 -0.944 5.309) 5.441 13.535 ( 0.812 1.011 -4.342) 4.531 13.656 ( 2.167 -0.880 -0.776) 2.464 13.763 ( 1.050 1.703 -1.135) 2.300 ======================= Grid point 261 (129/160) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 2.347 0.400 -0.674) 2.475 1.062 ( 0.566 1.473 -0.652) 1.708 1.142 ( -4.575 -1.138 3.452) 5.843 1.174 ( -3.620 -2.747 -2.823) 5.350 1.283 ( 1.456 4.642 1.388) 5.059 1.451 ( -3.603 0.533 2.578) 4.462 1.461 ( 3.461 4.028 7.446) 9.145 1.641 ( 2.887 2.357 1.726) 4.107 1.796 ( 4.383 5.338 -0.206) 6.909 2.244 ( -0.712 0.708 0.760) 1.260 2.264 ( -1.938 2.527 1.739) 3.628 2.346 ( 3.884 2.563 -3.613) 5.891 2.641 ( -2.714 5.317 1.364) 6.123 2.926 ( 1.415 0.221 -4.988) 5.190 3.556 ( 4.238 6.770 0.413) 7.998 3.801 ( -0.440 6.758 0.050) 6.772 4.087 ( 0.009 4.922 3.756) 6.192 4.146 ( -2.158 2.536 3.209) 4.625 4.160 ( 2.226 3.773 -0.619) 4.424 4.474 ( 0.962 -3.018 -3.832) 4.972 4.599 ( 0.374 0.836 -0.150) 0.928 5.101 ( -3.551 -5.485 -4.540) 7.956 7.690 ( -1.546 -2.478 12.086) 12.434 8.248 ( 0.668 -4.029 -11.975) 12.652 8.695 ( -1.425 -4.356 -3.706) 5.894 8.850 ( -2.818 -2.824 3.863) 5.553 9.704 ( 1.945 1.934 0.084) 2.744 9.856 ( -0.194 -0.755 -0.368) 0.862 10.455 ( 0.644 1.766 0.776) 2.034 10.615 ( -1.446 1.676 -0.498) 2.269 12.714 ( 0.386 0.145 1.113) 1.187 12.768 ( 1.323 1.090 -1.906) 2.564 13.342 ( -1.515 -0.408 5.260) 5.489 13.513 ( -0.198 1.635 -4.611) 4.896 13.680 ( 1.119 0.590 -0.617) 1.408 13.749 ( 0.564 1.843 -1.624) 2.520 ======================= Grid point 262 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 4.812 -3.684 -1.716) 6.298 1.022 ( -1.673 2.524 -0.032) 3.028 1.089 ( -2.758 1.161 -0.339) 3.011 1.149 ( -6.397 -3.986 3.290) 8.224 1.263 ( 3.756 4.544 -0.354) 5.906 1.344 ( -3.156 6.877 7.051) 10.342 1.505 ( 3.310 1.825 2.840) 4.728 1.650 ( 2.189 2.275 1.516) 3.502 1.770 ( 1.799 5.738 0.359) 6.024 2.104 ( -7.603 8.713 1.740) 11.694 2.285 ( -0.886 -3.974 3.631) 5.455 2.360 ( 3.993 2.320 -4.527) 6.467 2.532 ( 0.598 7.148 -1.756) 7.385 2.841 ( -5.122 7.381 -3.076) 9.496 3.518 ( 2.721 7.616 0.601) 8.110 3.652 ( -4.686 10.222 0.811) 11.274 3.963 ( -4.370 8.938 -0.986) 9.998 4.023 ( -2.517 9.986 1.444) 10.399 4.207 ( 2.347 -0.904 12.791) 13.036 4.529 ( 2.379 -3.242 -5.459) 6.780 4.609 ( 1.374 -0.267 1.265) 1.886 5.092 ( -4.735 -5.309 -11.268) 13.325 7.781 ( 1.996 -6.731 12.218) 14.091 8.282 ( -0.707 -5.027 -12.299) 13.306 8.766 ( 2.929 -6.348 -4.549) 8.341 8.859 ( -2.615 -3.211 4.209) 5.904 9.713 ( 2.603 1.679 1.037) 3.266 9.858 ( -0.676 -0.532 -0.125) 0.869 10.430 ( -0.256 2.804 0.891) 2.953 10.551 ( -2.920 3.033 -0.953) 4.317 12.721 ( 0.433 0.268 1.706) 1.781 12.770 ( 1.209 0.875 -1.767) 2.313 13.330 ( -1.967 0.124 5.496) 5.839 13.471 ( -0.492 2.205 -5.479) 5.927 13.676 ( 0.340 1.326 -0.170) 1.380 13.724 ( -0.089 2.051 -1.901) 2.797 ======================= Grid point 263 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 5.047 -3.042 -0.368) 5.905 0.962 ( -3.691 1.336 1.228) 4.113 1.057 ( -0.614 0.914 0.608) 1.258 1.089 ( -6.724 -2.116 2.056) 7.343 1.246 ( 0.391 7.030 6.010) 9.257 1.275 ( 4.974 3.222 -3.022) 6.653 1.516 ( 2.882 4.258 3.085) 5.996 1.659 ( 2.959 2.188 0.449) 3.708 1.697 ( -1.881 6.031 -0.142) 6.319 1.863 ( -9.832 8.002 0.688) 12.696 2.333 ( 1.366 -1.251 2.158) 2.844 2.387 ( 2.841 -0.008 -2.991) 4.125 2.488 ( 3.328 3.781 -2.618) 5.676 2.608 ( -9.005 11.408 1.802) 14.645 3.431 ( -0.593 9.707 -1.634) 9.862 3.451 ( -4.258 9.621 2.044) 10.718 3.781 ( -2.042 10.845 0.055) 11.036 3.839 ( -3.324 12.092 -0.471) 12.549 4.284 ( 0.961 -1.408 20.045) 20.117 4.595 ( 3.514 -2.702 -7.328) 8.564 4.645 ( 1.943 -0.572 3.977) 4.463 5.053 ( -5.192 -4.765 -17.185) 18.574 7.945 ( 2.314 -8.551 13.286) 15.969 8.307 ( -0.530 -5.564 -13.557) 14.664 8.861 ( -2.554 -3.711 5.714) 7.277 8.899 ( 4.286 -4.341 -6.777) 9.118 9.746 ( 3.387 0.131 1.622) 3.757 9.848 ( -1.557 -0.573 -0.423) 1.712 10.384 ( -0.925 3.643 2.347) 4.432 10.463 ( -2.489 3.760 -2.014) 4.938 12.726 ( 0.223 0.383 2.252) 2.295 12.771 ( 0.802 0.620 -1.771) 2.040 13.311 ( -1.909 0.429 5.673) 6.001 13.427 ( 0.193 2.224 -6.305) 6.689 13.657 ( -0.734 1.580 1.216) 2.125 13.692 ( 0.266 1.822 -2.797) 3.349 ======================= Grid point 264 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -4.982 0.423 3.157) 5.913 0.898 ( 1.957 -1.604 3.099) 4.001 0.980 ( -5.294 1.019 7.003) 8.837 1.108 ( 3.576 2.564 -2.569) 5.096 1.216 ( 3.624 1.952 -0.268) 4.125 1.284 ( 2.971 3.667 -5.227) 7.042 1.515 ( 3.914 3.878 3.226) 6.385 1.562 ( -4.767 4.453 -1.448) 6.682 1.641 ( -7.021 4.892 5.144) 9.984 1.733 ( 7.873 1.902 -4.298) 9.169 2.276 ( -9.033 8.344 6.430) 13.877 2.384 ( 6.420 5.916 -4.762) 9.944 2.466 ( -1.816 -2.904 2.191) 4.066 2.507 ( 1.311 -1.323 -1.824) 2.607 3.283 ( -1.152 8.000 1.776) 8.275 3.318 ( 0.853 8.223 -2.051) 8.518 3.648 ( -1.368 10.185 0.173) 10.278 3.661 ( 3.101 10.536 -1.538) 11.090 4.353 ( -0.698 -1.945 20.975) 21.077 4.657 ( 3.546 -1.801 -9.399) 10.206 4.696 ( 2.108 -0.635 9.594) 9.843 4.990 ( -4.825 -3.121 -20.816) 21.594 8.076 ( -2.615 -6.409 14.843) 16.378 8.368 ( 2.901 -6.437 -15.347) 16.894 8.870 ( -2.703 -2.755 4.928) 6.259 8.974 ( 2.688 -0.670 -5.779) 6.408 9.806 ( 2.020 -1.789 1.420) 3.049 9.830 ( -1.449 -0.723 -1.054) 1.932 10.327 ( -1.308 3.585 4.026) 5.547 10.394 ( 0.700 3.467 -3.002) 4.640 12.727 ( -0.096 0.363 2.444) 2.472 12.770 ( 0.442 0.293 -1.937) 2.008 13.293 ( -1.428 0.384 5.012) 5.225 13.398 ( 1.362 1.882 -5.767) 6.217 13.621 ( -1.602 1.602 2.494) 3.369 13.682 ( 1.498 0.828 -3.715) 4.090 ======================= Grid point 267 (133/160) ======================= q-point: ( 0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.179 -0.000 0.072) 1.181 0.946 ( 3.291 -0.000 2.404) 4.076 1.034 ( 2.558 -0.000 -2.090) 3.303 1.036 ( -0.667 0.000 -0.471) 0.816 1.402 ( -0.988 0.000 0.020) 0.988 1.419 ( 2.002 -0.000 0.200) 2.012 1.581 ( 6.880 -0.000 0.869) 6.935 1.715 ( 0.299 -0.000 2.175) 2.195 1.728 ( 10.404 -0.000 -2.097) 10.613 2.005 ( 13.818 -0.000 0.021) 13.818 2.308 ( -4.621 0.000 2.555) 5.281 2.348 ( -0.437 0.000 2.465) 2.503 2.561 ( 2.078 -0.000 -0.578) 2.157 2.611 ( 11.911 -0.000 -1.414) 11.994 3.723 ( 11.013 -0.000 1.215) 11.080 3.747 ( 10.922 -0.000 -0.457) 10.931 3.779 ( 8.507 -0.000 -3.710) 9.280 3.895 ( 10.752 -0.000 -3.567) 11.328 4.404 ( -2.648 0.000 8.130) 8.551 4.553 ( -1.361 0.000 -23.075) 23.116 4.678 ( -1.462 0.000 -3.054) 3.386 4.931 ( -2.772 0.000 18.890) 19.092 7.867 ( -9.036 0.000 14.913) 17.437 8.293 ( -3.568 0.000 -16.000) 16.393 8.794 ( -5.569 0.000 -3.316) 6.481 8.841 ( -5.873 0.000 5.321) 7.925 9.704 ( 1.333 -0.000 -2.109) 2.495 9.824 ( -0.121 0.000 -1.735) 1.739 10.440 ( 2.868 -0.000 2.782) 3.996 10.579 ( 4.309 -0.000 -0.636) 4.356 12.711 ( -0.219 0.000 0.591) 0.630 12.787 ( 1.206 -0.000 -3.020) 3.252 13.302 ( 0.102 -0.000 5.961) 5.962 13.537 ( 3.729 -0.000 -5.916) 6.993 13.587 ( 1.790 -0.000 1.259) 2.188 13.779 ( 2.049 -0.000 -1.463) 2.518 ======================= Grid point 268 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -1.501 8.350 0.622) 8.507 1.017 ( 0.655 -2.611 1.952) 3.325 1.049 ( 3.114 -2.049 -1.531) 4.030 1.093 ( -0.707 -3.929 -0.831) 4.077 1.380 ( -1.506 1.153 -0.812) 2.064 1.420 ( -0.669 -0.351 -0.067) 0.758 1.677 ( 7.544 1.730 0.677) 7.770 1.723 ( 7.349 8.565 2.169) 11.492 1.850 ( 8.273 1.670 -0.859) 8.483 2.188 ( 1.311 -2.232 -0.907) 2.743 2.316 ( 3.623 -2.192 -0.049) 4.235 2.367 ( 5.389 -3.025 0.704) 6.220 2.557 ( 2.065 1.950 -0.201) 2.848 2.784 ( 7.093 -2.952 1.587) 7.845 3.766 ( 7.992 8.299 -1.668) 11.641 3.872 ( 8.746 1.425 0.324) 8.867 3.989 ( 7.931 -7.073 -1.864) 10.789 4.045 ( 8.895 -1.499 -2.335) 9.317 4.367 ( -2.145 2.941 6.160) 7.155 4.476 ( -1.009 2.096 -15.582) 15.754 4.652 ( -0.351 0.842 -2.615) 2.770 4.941 ( -4.687 -4.081 13.578) 14.933 7.762 ( -8.039 1.851 14.459) 16.647 8.211 ( -3.649 -0.924 -15.149) 15.610 8.694 ( -5.710 1.233 -3.034) 6.582 8.780 ( -6.829 -3.276 4.746) 8.938 9.729 ( 3.174 0.690 -2.812) 4.296 9.824 ( -0.159 -0.649 -1.090) 1.278 10.478 ( 2.134 0.611 2.441) 3.300 10.629 ( 2.518 -0.110 -0.229) 2.531 12.713 ( 0.353 0.079 0.322) 0.484 12.794 ( 1.215 0.603 -2.880) 3.184 13.319 ( -0.039 -0.422 6.157) 6.172 13.551 ( 0.661 0.265 -3.888) 3.952 13.640 ( 4.575 -0.315 -2.469) 5.208 13.796 ( 1.200 0.731 -0.613) 1.533 ======================= Grid point 269 (135/160) ======================= q-point: ( 0.44 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.443 7.283 0.448) 7.310 1.053 ( -1.444 -2.569 2.179) 3.665 1.101 ( 0.882 -1.595 -2.336) 2.963 1.111 ( -1.411 -1.991 0.234) 2.451 1.338 ( -1.133 1.419 -1.076) 2.111 1.419 ( -1.255 -1.202 0.201) 1.749 1.715 ( 9.518 12.123 3.660) 15.842 1.745 ( 6.867 4.388 1.087) 8.221 1.913 ( 5.464 3.437 -0.237) 6.459 2.188 ( -1.842 -1.644 2.113) 3.250 2.327 ( -0.530 0.397 0.364) 0.756 2.466 ( 4.122 5.462 -1.924) 7.108 2.650 ( 5.681 -5.264 -1.818) 7.956 2.886 ( 3.643 -1.634 0.421) 4.015 3.761 ( 6.826 8.759 -0.307) 11.108 3.936 ( 4.706 3.722 -0.589) 6.029 4.129 ( 3.822 -1.732 -3.448) 5.431 4.156 ( 4.342 -0.619 3.726) 5.755 4.306 ( 0.637 5.650 0.594) 5.717 4.423 ( -0.605 -0.119 -6.594) 6.622 4.635 ( 0.575 1.551 -1.527) 2.251 4.953 ( -5.620 -5.784 5.451) 9.735 7.676 ( -5.498 0.838 14.048) 15.109 8.157 ( -2.604 -2.948 -14.133) 14.670 8.616 ( -3.806 -1.357 -3.257) 5.190 8.749 ( -6.314 -4.833 4.171) 8.979 9.755 ( 3.357 1.806 -2.347) 4.476 9.830 ( -0.263 -1.010 -0.415) 1.123 10.497 ( 1.603 1.337 1.804) 2.759 10.646 ( 0.291 0.746 -0.101) 0.807 12.720 ( 0.794 0.220 0.385) 0.909 12.795 ( 1.116 0.888 -2.577) 2.945 13.334 ( -0.464 -0.213 6.116) 6.137 13.541 ( -0.082 0.604 -4.042) 4.088 13.695 ( 3.839 0.535 -3.242) 5.053 13.792 ( 0.358 1.369 -0.349) 1.458 ======================= Grid point 270 (136/160) ======================= q-point: (-0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 3.432 3.100 -0.109) 4.626 1.031 ( -6.395 -2.266 2.025) 7.080 1.099 ( -0.813 0.495 -0.265) 0.988 1.120 ( 0.767 0.555 -1.410) 1.698 1.318 ( 0.657 0.600 -1.237) 1.524 1.405 ( -2.886 -0.607 1.627) 3.368 1.709 ( 10.694 12.586 3.798) 16.947 1.770 ( 5.865 6.205 1.499) 8.669 1.921 ( 3.356 5.081 -0.037) 6.089 2.200 ( -1.041 -2.287 3.374) 4.207 2.290 ( -2.580 3.811 1.238) 4.766 2.411 ( -1.018 4.196 -2.187) 4.840 2.705 ( 2.801 4.560 -0.058) 5.352 2.932 ( 0.335 0.059 -3.698) 3.713 3.741 ( 6.089 9.250 1.221) 11.142 3.898 ( 0.220 8.106 -0.041) 8.109 4.133 ( -1.786 2.936 -0.053) 3.437 4.193 ( 2.735 2.844 7.705) 8.656 4.246 ( 0.785 5.599 -2.777) 6.299 4.441 ( 1.774 -2.958 -5.388) 6.397 4.626 ( 1.435 1.523 -0.029) 2.093 4.947 ( -6.171 -5.907 -2.323) 8.853 7.664 ( -1.808 -2.561 14.215) 14.556 8.146 ( -2.110 -5.128 -14.226) 15.268 8.620 ( 0.127 -4.785 -3.252) 5.787 8.741 ( -5.332 -5.665 3.577) 8.562 9.769 ( 2.906 2.331 -1.078) 3.879 9.837 ( -0.583 -0.936 -0.001) 1.103 10.498 ( 1.240 2.278 1.264) 2.886 10.617 ( -1.580 2.124 -0.323) 2.667 12.730 ( 0.899 0.372 0.792) 1.255 12.793 ( 0.896 0.842 -2.330) 2.635 13.337 ( -0.818 0.378 6.202) 6.268 13.515 ( -0.486 1.207 -4.892) 5.062 13.717 ( 2.174 1.774 -2.071) 3.487 13.773 ( -0.051 1.677 -1.145) 2.032 ======================= Grid point 271 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 7.067 -0.928 -1.187) 7.226 0.952 ( -8.449 -1.569 2.066) 8.839 1.079 ( -0.741 1.320 1.137) 1.893 1.104 ( 0.613 2.151 -2.089) 3.060 1.332 ( 2.207 0.830 -1.567) 2.831 1.362 ( -2.887 0.955 2.623) 4.016 1.712 ( 9.270 10.923 2.216) 14.497 1.768 ( 4.899 6.855 1.497) 8.558 1.880 ( 2.532 7.645 0.250) 8.057 2.117 ( -8.268 10.182 1.074) 13.160 2.238 ( -0.024 -2.930 4.395) 5.282 2.365 ( -1.407 -0.866 -3.564) 3.928 2.673 ( 4.519 7.371 -0.528) 8.662 2.847 ( -5.598 6.484 -2.188) 8.841 3.692 ( 3.930 10.782 0.858) 11.508 3.749 ( -2.419 12.078 1.005) 12.359 4.031 ( -1.776 8.014 1.819) 8.407 4.123 ( -1.203 9.807 -2.147) 10.111 4.249 ( 0.399 -1.020 13.647) 13.691 4.508 ( 3.404 -3.897 -8.258) 9.745 4.642 ( 2.369 0.550 2.129) 3.232 4.919 ( -5.857 -5.475 -9.549) 12.468 7.751 ( 1.128 -6.357 14.563) 15.930 8.154 ( -2.171 -6.037 -14.845) 16.172 8.707 ( -1.650 -7.521 4.164) 8.754 8.769 ( 1.295 -5.754 -4.847) 7.634 9.777 ( 2.060 1.820 0.852) 2.878 9.834 ( -0.976 -0.442 -0.448) 1.161 10.479 ( 0.638 3.497 1.838) 4.002 10.553 ( -1.966 3.264 -1.232) 4.004 12.738 ( 0.632 0.505 1.411) 1.627 12.788 ( 0.450 0.660 -2.203) 2.344 13.330 ( -0.880 0.999 6.484) 6.620 13.478 ( -0.294 1.706 -5.953) 6.199 13.708 ( 0.958 2.341 -0.701) 2.624 13.743 ( -0.451 2.035 -1.756) 2.726 ======================= Grid point 272 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -6.172 -1.021 2.935) 6.910 0.884 ( 4.840 -1.810 -0.563) 5.198 1.026 ( -3.121 2.297 3.447) 5.187 1.125 ( 6.248 0.399 -6.593) 9.092 1.291 ( -3.110 2.487 4.013) 5.653 1.368 ( 3.567 1.502 -3.756) 5.393 1.695 ( 1.480 8.884 1.212) 9.088 1.709 ( 1.900 7.231 0.527) 7.496 1.846 ( 8.982 8.970 -0.325) 12.698 1.855 ( -8.160 10.459 -1.283) 13.327 2.294 ( -0.088 -3.558 4.602) 5.818 2.369 ( -0.611 -3.043 -3.250) 4.494 2.621 ( -9.181 10.737 2.563) 14.357 2.649 ( 5.366 7.971 -0.437) 9.619 3.557 ( -2.109 12.686 1.947) 13.007 3.585 ( 1.899 12.084 -1.003) 12.273 3.908 ( -0.217 10.193 2.691) 10.545 3.966 ( 0.880 11.715 -3.874) 12.370 4.291 ( -2.823 -2.722 18.620) 19.028 4.589 ( 3.611 -3.575 -9.543) 10.812 4.681 ( 1.284 -0.417 6.443) 6.583 4.889 ( -2.542 -4.398 -15.579) 16.386 7.888 ( -0.568 -7.757 15.178) 17.055 8.188 ( 0.942 -7.103 -15.938) 17.474 8.747 ( -5.429 -6.806 7.121) 11.248 8.899 ( 6.220 -5.185 -8.670) 11.863 9.781 ( -1.116 -0.105 2.856) 3.068 9.826 ( 0.898 0.408 -1.913) 2.152 10.432 ( -1.061 4.346 3.584) 5.732 10.491 ( 0.599 3.817 -2.631) 4.675 12.740 ( 0.084 0.585 1.941) 2.029 12.779 ( -0.032 0.415 -2.140) 2.180 13.317 ( -0.758 1.421 6.432) 6.631 13.445 ( 0.849 1.688 -6.683) 6.945 13.682 ( -0.173 3.019 0.666) 3.096 13.709 ( -0.039 1.335 -2.095) 2.485 ======================= Grid point 273 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -5.964 -2.476 2.923) 7.088 0.967 ( 4.707 1.096 2.842) 5.607 0.974 ( -1.170 2.101 2.132) 3.214 1.198 ( 2.408 3.939 -0.400) 4.634 1.250 ( 2.019 -2.016 -3.963) 4.883 1.376 ( 4.421 3.876 -6.508) 8.770 1.541 ( -5.492 5.055 0.667) 7.494 1.643 ( -4.318 8.597 1.749) 9.778 1.694 ( 5.080 6.157 -0.033) 7.982 1.907 ( 12.595 4.950 -3.794) 14.055 2.265 ( -7.636 6.969 6.305) 12.109 2.405 ( -0.631 -4.175 -1.886) 4.624 2.423 ( -2.350 1.824 3.695) 4.744 2.623 ( 4.906 8.058 0.211) 9.436 3.401 ( 0.836 9.837 1.434) 9.976 3.475 ( 3.738 9.971 -0.851) 10.683 3.783 ( 1.900 10.339 -0.136) 10.513 3.862 ( 5.389 11.459 -3.082) 13.033 4.327 ( -3.672 -4.223 17.591) 18.460 4.647 ( 2.013 -2.743 -11.434) 11.929 4.697 ( -3.352 -2.488 5.129) 6.613 4.901 ( 3.341 -0.731 -10.529) 11.070 7.966 ( -5.307 -6.575 12.507) 15.094 8.291 ( 3.862 -7.476 -13.292) 15.731 8.777 ( -3.532 -6.254 5.279) 8.914 8.988 ( 2.458 -0.990 -6.760) 7.260 9.760 ( -2.893 -1.184 0.289) 3.139 9.845 ( 1.698 -0.066 -0.185) 1.710 10.371 ( -0.628 3.809 3.315) 5.089 10.465 ( 3.052 3.733 -1.843) 5.162 12.734 ( -0.469 0.503 2.038) 2.151 12.769 ( -0.149 0.048 -2.168) 2.174 13.303 ( -0.461 1.408 5.500) 5.696 13.434 ( 2.355 1.480 -6.157) 6.756 13.636 ( -1.015 2.826 1.966) 3.589 13.702 ( 1.164 0.446 -2.500) 2.794 ======================= Grid point 277 (140/160) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -4.629 0.000 3.953) 6.087 0.943 ( -0.987 0.000 -2.534) 2.719 1.081 ( 1.794 -0.000 0.558) 1.879 1.091 ( 2.846 -0.000 -0.727) 2.938 1.376 ( -0.870 0.000 -0.964) 1.298 1.387 ( -1.732 0.000 -1.227) 2.122 1.799 ( 7.487 -0.000 0.778) 7.527 1.930 ( 10.822 -0.000 -1.755) 10.963 1.953 ( 4.641 -0.000 -0.199) 4.646 2.168 ( -1.200 0.000 1.884) 2.233 2.353 ( 0.362 -0.000 1.699) 1.737 2.468 ( 15.011 -0.000 -5.194) 15.884 2.575 ( -0.954 0.000 1.747) 1.990 2.866 ( 4.945 -0.000 2.840) 5.702 3.942 ( 6.115 -0.000 -2.126) 6.474 3.965 ( 5.087 -0.000 -0.612) 5.123 4.056 ( 8.532 -0.000 1.499) 8.663 4.138 ( 4.951 -0.000 -1.725) 5.243 4.379 ( 0.294 -0.000 4.990) 4.998 4.451 ( 0.019 -0.000 -15.962) 15.962 4.658 ( 1.174 -0.000 -2.689) 2.934 4.860 ( -6.770 0.000 13.874) 15.438 7.695 ( -7.432 0.000 15.848) 17.504 8.115 ( -3.480 0.000 -16.744) 17.102 8.639 ( -3.008 0.000 -7.082) 7.694 8.640 ( -9.460 0.000 8.738) 12.878 9.780 ( 3.908 -0.000 -3.583) 5.302 9.816 ( -0.226 0.000 -0.104) 0.248 10.515 ( 1.729 -0.000 2.379) 2.940 10.655 ( 1.012 -0.000 0.023) 1.012 12.723 ( 0.925 -0.000 0.123) 0.933 12.807 ( 0.933 -0.000 -2.877) 3.025 13.331 ( 0.046 -0.000 6.427) 6.427 13.548 ( -0.084 0.000 -3.593) 3.594 13.702 ( 5.059 -0.000 -4.662) 6.879 13.810 ( 0.168 -0.000 0.341) 0.381 ======================= Grid point 278 (141/160) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -1.664 5.009 2.197) 5.717 0.952 ( -3.783 -3.656 -0.701) 5.308 1.109 ( 1.049 -0.117 1.451) 1.794 1.124 ( 2.410 0.210 -1.650) 2.928 1.344 ( -0.543 1.414 -1.089) 1.865 1.380 ( -1.586 -1.257 -0.325) 2.049 1.879 ( 5.663 2.693 0.988) 6.348 1.974 ( 2.425 3.004 -0.594) 3.906 2.032 ( 9.706 5.475 -0.828) 11.174 2.174 ( 0.599 -0.138 2.567) 2.639 2.345 ( 0.874 2.648 0.496) 2.832 2.530 ( -2.197 3.065 1.175) 3.950 2.705 ( 11.807 -3.858 -5.889) 13.747 2.912 ( 0.551 -0.214 3.495) 3.544 3.951 ( 5.097 6.785 0.483) 8.500 4.027 ( 3.064 1.753 -0.826) 3.625 4.154 ( 0.706 0.293 0.135) 0.776 4.190 ( 2.754 -3.005 3.783) 5.561 4.382 ( 1.531 4.283 -4.413) 6.338 4.423 ( 2.240 0.579 -6.692) 7.080 4.668 ( 1.967 1.336 -1.619) 2.877 4.815 ( -6.473 -3.758 7.535) 10.621 7.637 ( -5.181 -0.094 15.965) 16.784 8.049 ( -2.532 -2.196 -16.454) 16.792 8.539 ( -6.315 -1.493 5.925) 8.787 8.617 ( -2.342 -3.168 -5.377) 6.666 9.811 ( 0.976 0.566 -0.231) 1.152 9.821 ( 1.616 -0.013 -2.018) 2.585 10.538 ( 1.702 0.850 1.905) 2.692 10.654 ( -0.579 0.730 0.008) 0.932 12.737 ( 1.119 0.176 0.237) 1.158 12.809 ( 0.514 0.347 -2.674) 2.745 13.345 ( 0.021 0.199 6.476) 6.479 13.534 ( -0.412 0.316 -4.182) 4.214 13.753 ( 4.064 0.861 -4.900) 6.424 13.803 ( -0.739 0.617 0.722) 1.204 ======================= Grid point 279 (142/160) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 2.617 1.913 1.613) 3.621 0.916 ( -5.314 -1.221 -0.188) 5.455 1.113 ( 0.011 1.060 1.681) 1.987 1.143 ( 1.565 0.796 -2.755) 3.267 1.334 ( 1.026 0.139 -0.827) 1.325 1.364 ( -2.342 -0.366 1.116) 2.620 1.898 ( 3.608 4.660 1.134) 6.002 1.957 ( 1.711 4.032 -1.369) 4.589 2.089 ( 10.552 7.954 -0.249) 13.216 2.184 ( -0.447 -0.110 3.226) 3.259 2.312 ( -0.091 4.178 0.327) 4.192 2.423 ( -4.933 5.601 -0.156) 7.465 2.811 ( 3.778 3.406 0.865) 5.160 2.921 ( -0.296 -0.290 -2.830) 2.860 3.935 ( 4.740 7.750 2.101) 9.324 3.997 ( 0.133 6.686 0.109) 6.689 4.132 ( -2.588 0.599 4.319) 5.070 4.243 ( -0.773 -0.890 3.033) 3.254 4.323 ( 1.574 6.292 -2.474) 6.942 4.445 ( 3.131 -0.145 -7.628) 8.246 4.674 ( 1.842 1.752 1.139) 2.785 4.795 ( -4.528 -4.109 -1.121) 6.216 7.637 ( -1.914 -2.667 16.112) 16.443 8.023 ( -1.630 -3.939 -16.245) 16.795 8.527 ( -4.951 -5.978 8.241) 11.321 8.639 ( 1.949 -3.950 -9.045) 10.061 9.808 ( -0.819 0.267 2.272) 2.430 9.835 ( 1.608 0.678 -2.578) 3.113 10.549 ( 1.692 1.967 1.536) 3.016 10.620 ( -1.532 1.918 -0.446) 2.495 12.749 ( 0.887 0.367 0.674) 1.173 12.802 ( 0.047 0.408 -2.464) 2.498 13.354 ( 0.021 0.772 6.610) 6.655 13.509 ( -0.557 0.788 -4.990) 5.082 13.764 ( 0.579 1.855 -0.779) 2.093 13.786 ( 0.719 1.258 -2.644) 3.015 ======================= Grid point 280 (143/160) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -2.397 -1.671 2.050) 3.570 0.856 ( 2.873 0.725 -1.794) 3.464 1.084 ( -1.954 2.142 2.446) 3.794 1.148 ( 2.531 0.965 -4.093) 4.909 1.327 ( -2.862 0.721 2.618) 3.946 1.364 ( 2.420 -0.965 -1.286) 2.905 1.874 ( 1.467 5.614 0.745) 5.850 1.900 ( -0.453 6.193 -2.054) 6.541 2.119 ( -7.338 7.887 0.297) 10.777 2.127 ( 10.882 10.046 -0.895) 14.838 2.245 ( 0.976 1.778 4.597) 5.024 2.324 ( -1.768 0.737 -3.520) 4.008 2.787 ( -1.565 3.514 4.267) 5.745 2.861 ( -0.773 6.710 -3.481) 7.599 3.867 ( -1.814 10.921 1.222) 11.138 3.877 ( 1.934 10.201 0.369) 10.389 4.096 ( -1.450 2.780 8.008) 8.600 4.193 ( -2.857 4.025 -2.374) 5.478 4.269 ( -0.950 4.015 8.044) 9.041 4.495 ( 3.679 -3.080 -10.802) 11.819 4.677 ( -1.279 0.072 4.676) 4.849 4.798 ( 1.699 -2.379 -8.354) 8.851 7.715 ( -0.287 -5.551 16.241) 17.166 8.031 ( 0.302 -5.056 -16.494) 17.254 8.559 ( -5.308 -7.246 8.519) 12.380 8.746 ( 6.803 -6.105 -10.774) 14.129 9.789 ( -2.262 0.467 3.441) 4.144 9.840 ( 1.104 0.537 -2.086) 2.420 10.533 ( -0.344 3.487 2.498) 4.303 10.575 ( 0.422 2.644 -1.854) 3.257 12.755 ( 0.308 0.537 1.286) 1.427 12.789 ( -0.440 0.342 -2.290) 2.357 13.355 ( 0.032 1.425 6.797) 6.945 13.480 ( -0.097 1.058 -5.811) 5.907 13.738 ( -0.970 1.224 0.381) 1.608 13.767 ( 0.828 2.957 -2.780) 4.142 ======================= Grid point 281 (144/160) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -5.644 0.168 -0.265) 5.652 0.964 ( 6.327 -1.314 1.269) 6.585 1.031 ( -1.017 2.483 1.528) 3.088 1.184 ( 3.680 -1.349 -5.723) 6.936 1.282 ( -1.643 1.862 2.832) 3.767 1.410 ( 2.683 -0.754 -1.762) 3.298 1.747 ( -5.081 9.147 -1.395) 10.556 1.821 ( -1.157 5.310 -3.451) 6.437 1.885 ( -5.338 9.628 -0.459) 11.019 2.147 ( 10.744 11.131 -1.956) 15.593 2.281 ( 0.927 -0.955 5.072) 5.244 2.309 ( -1.278 -2.764 -2.960) 4.246 2.646 ( -5.650 9.568 2.203) 11.327 2.797 ( 2.462 5.796 2.835) 6.906 3.685 ( -3.148 11.639 0.962) 12.096 3.759 ( 1.340 11.475 -0.037) 11.553 4.030 ( -0.275 8.186 3.882) 9.064 4.111 ( 2.066 6.068 -1.920) 6.692 4.225 ( -5.568 -1.382 12.839) 14.062 4.559 ( 1.944 -3.990 -10.761) 11.640 4.651 ( -3.955 -1.113 2.814) 4.980 4.875 ( 7.657 -0.974 -6.699) 10.221 7.803 ( -3.047 -5.878 13.295) 14.853 8.105 ( 4.391 -6.778 -13.996) 16.159 8.599 ( -3.987 -7.113 6.541) 10.453 8.901 ( 6.449 -5.530 -9.674) 12.875 9.750 ( -3.124 0.363 3.023) 4.363 9.846 ( 0.798 0.011 -1.108) 1.366 10.473 ( -1.416 4.030 2.283) 4.843 10.557 ( 2.390 3.279 -1.431) 4.303 12.749 ( -0.453 0.643 1.667) 1.844 12.772 ( -0.691 0.174 -2.039) 2.160 13.348 ( -0.091 1.947 6.285) 6.580 13.462 ( 1.213 0.787 -5.972) 6.145 13.712 ( -0.954 0.873 -1.018) 1.646 13.727 ( 0.326 3.427 -0.256) 3.451 ======================= Grid point 282 (145/160) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -3.466 -1.622 -0.653) 3.882 0.993 ( -0.239 1.713 2.810) 3.300 1.064 ( 6.095 0.707 0.964) 6.212 1.209 ( -1.853 -0.440 0.977) 2.140 1.282 ( 3.400 0.867 -4.518) 5.720 1.454 ( 3.657 -0.290 -2.708) 4.560 1.544 ( -5.264 8.494 -2.225) 10.238 1.688 ( -3.038 6.542 -1.593) 7.387 1.781 ( -0.539 3.389 -1.111) 3.607 2.137 ( 4.360 6.905 -0.400) 8.176 2.275 ( -1.149 3.233 3.003) 4.560 2.338 ( -0.351 -3.824 -1.878) 4.275 2.495 ( 2.997 9.510 1.534) 10.088 2.768 ( 2.212 5.378 4.380) 7.280 3.518 ( -1.598 8.271 0.150) 8.425 3.654 ( 3.475 9.697 0.395) 10.308 3.942 ( 2.796 8.328 1.397) 8.895 4.061 ( 4.706 8.993 -3.320) 10.679 4.221 ( -5.924 -6.418 13.224) 15.848 4.583 ( -1.897 -2.402 -10.159) 10.610 4.632 ( -1.124 -2.281 -0.193) 2.550 4.979 ( 7.208 0.808 -1.830) 7.480 7.835 ( -5.356 -5.172 9.227) 11.856 8.233 ( 3.830 -6.519 -9.767) 12.352 8.664 ( -0.999 -7.093 4.557) 8.490 8.987 ( 1.513 -1.140 -7.345) 7.585 9.716 ( -2.096 -0.422 0.766) 2.272 9.857 ( 0.287 -0.377 -0.001) 0.474 10.416 ( -0.319 3.337 2.247) 4.036 10.552 ( 3.119 3.147 -0.987) 4.539 12.735 ( -0.925 0.541 1.613) 1.936 12.759 ( -0.499 -0.183 -1.903) 1.976 13.334 ( -0.004 1.947 5.123) 5.480 13.469 ( 2.490 0.427 -5.329) 5.897 13.668 ( -0.717 3.269 0.595) 3.400 13.714 ( 0.654 0.113 -0.929) 1.142 ======================= Grid point 287 (146/160) ======================= q-point: ( 0.44 -0.56 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -2.878 0.000 5.289) 6.022 0.894 ( -0.770 0.000 -3.598) 3.679 1.126 ( 0.768 -0.000 1.145) 1.379 1.151 ( 1.439 -0.000 -1.238) 1.898 1.342 ( -1.118 0.000 0.505) 1.227 1.354 ( -0.327 0.000 -1.235) 1.277 1.961 ( 3.199 -0.000 0.545) 3.245 1.991 ( -0.044 0.000 0.796) 0.797 2.176 ( 6.016 -0.000 -3.172) 6.801 2.189 ( 0.098 -0.000 2.390) 2.392 2.408 ( 3.850 -0.000 0.053) 3.851 2.509 ( -3.782 0.000 1.515) 4.074 2.846 ( 12.207 -0.000 -8.590) 14.927 2.897 ( -4.232 0.000 6.421) 7.690 4.060 ( 2.912 -0.000 -1.492) 3.272 4.064 ( 1.924 -0.000 3.506) 4.000 4.127 ( -4.200 0.000 4.470) 6.133 4.212 ( 1.728 -0.000 -0.825) 1.915 4.431 ( 3.030 -0.000 -9.483) 9.955 4.443 ( 0.656 -0.000 -0.811) 1.043 4.713 ( 3.588 -0.000 -2.911) 4.620 4.725 ( -4.972 0.000 7.164) 8.720 7.606 ( -3.663 0.000 16.712) 17.109 7.971 ( -1.145 0.000 -16.852) 16.891 8.445 ( -6.337 0.000 10.320) 12.110 8.587 ( 2.362 -0.000 -11.232) 11.478 9.808 ( -0.802 0.000 2.370) 2.502 9.847 ( 1.414 -0.000 -2.938) 3.261 10.574 ( 2.039 -0.000 1.554) 2.563 10.645 ( -1.290 0.000 -0.207) 1.307 12.754 ( 0.967 -0.000 0.382) 1.039 12.807 ( -0.127 0.000 -2.543) 2.546 13.364 ( 0.335 -0.000 6.584) 6.593 13.519 ( -0.554 0.000 -4.627) 4.660 13.790 ( -1.862 0.000 1.763) 2.564 13.802 ( 3.412 -0.000 -5.497) 6.470 ======================= Grid point 289 (147/160) ======================= q-point: (-0.44 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.008 -0.394 5.305) 5.414 0.880 ( 0.698 0.707 -3.612) 3.746 1.126 ( -0.487 1.010 1.487) 1.863 1.160 ( 0.561 0.067 -1.895) 1.977 1.335 ( -0.641 -0.223 0.886) 1.116 1.349 ( 0.337 0.041 -0.698) 0.776 1.974 ( 0.850 2.234 0.696) 2.489 1.990 ( 0.108 1.096 -0.884) 1.412 2.177 ( -2.247 0.416 2.382) 3.301 2.225 ( 2.777 0.492 -2.714) 3.914 2.413 ( -3.522 5.785 1.553) 6.948 2.442 ( 3.943 4.702 -1.338) 6.281 2.824 ( -6.893 -0.024 6.731) 9.634 2.962 ( 6.343 1.609 -7.732) 10.129 4.054 ( -1.412 3.220 2.012) 4.051 4.065 ( 0.371 3.717 -0.492) 3.767 4.089 ( -2.412 -0.240 9.099) 9.416 4.220 ( -0.433 -0.363 -2.197) 2.269 4.397 ( -1.419 3.658 -0.345) 3.939 4.462 ( 2.031 -0.313 -7.010) 7.305 4.680 ( -3.359 0.106 4.674) 5.756 4.771 ( 5.548 -0.170 -4.855) 7.374 7.619 ( -1.255 -1.935 16.992) 17.148 7.942 ( 0.485 -1.888 -16.293) 16.409 8.420 ( -3.292 -3.117 9.329) 10.373 8.630 ( 5.285 -2.559 -12.295) 13.626 9.797 ( -1.772 0.165 3.602) 4.017 9.849 ( 0.109 0.167 -2.080) 2.090 10.598 ( 1.425 1.448 1.336) 2.432 10.619 ( -0.846 0.823 -0.917) 1.495 12.765 ( 0.453 0.218 0.824) 0.965 12.795 ( -0.655 0.131 -2.347) 2.441 13.381 ( 0.453 0.554 6.704) 6.742 13.498 ( -0.501 0.379 -5.166) 5.204 13.760 ( -2.365 0.480 1.908) 3.076 13.823 ( 2.090 1.227 -4.681) 5.271 ======================= Grid point 290 (148/160) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -2.836 1.688 1.834) 3.776 0.922 ( 5.286 -1.617 -1.018) 5.621 1.093 ( -1.422 2.192 1.707) 3.121 1.164 ( 0.551 -0.514 -2.745) 2.847 1.316 ( -0.894 1.101 0.952) 1.708 1.376 ( 1.648 -1.525 -0.288) 2.263 1.925 ( -2.886 4.454 -1.015) 5.404 1.947 ( -0.997 4.046 -0.972) 4.278 2.094 ( -7.273 4.863 -0.199) 8.751 2.238 ( 0.549 -0.333 -2.083) 2.179 2.295 ( -1.064 3.567 1.698) 4.091 2.432 ( 5.164 7.792 -1.072) 9.409 2.748 ( -6.526 -0.988 5.356) 8.500 2.952 ( 1.559 5.643 -4.115) 7.156 3.938 ( -5.317 7.242 1.064) 9.047 3.995 ( -1.760 5.706 0.247) 5.976 4.088 ( -1.625 0.482 12.011) 12.130 4.195 ( -1.283 2.326 -0.190) 2.663 4.318 ( -2.649 3.582 0.092) 4.456 4.479 ( 1.380 -1.487 -8.104) 8.354 4.640 ( -3.088 0.210 3.544) 4.705 4.862 ( 8.838 -0.123 -6.522) 10.985 7.683 ( -0.583 -3.429 16.051) 16.423 7.967 ( 3.367 -3.907 -15.087) 15.944 8.453 ( -1.348 -3.936 7.085) 8.217 8.749 ( 7.633 -5.533 -11.847) 15.140 9.766 ( -3.038 0.663 4.347) 5.345 9.843 ( -0.489 -0.259 -1.132) 1.260 10.562 ( -1.357 2.837 0.358) 3.165 10.619 ( 1.855 1.567 -0.490) 2.477 12.764 ( -0.322 0.466 1.269) 1.390 12.777 ( -0.942 0.135 -1.999) 2.214 13.391 ( 0.278 1.265 6.659) 6.784 13.477 ( 0.091 0.429 -5.504) 5.522 13.724 ( -2.227 0.331 1.213) 2.558 13.810 ( 0.736 2.553 -2.987) 3.998 ======================= Grid point 291 (149/160) ======================= q-point: (-0.22 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -2.390 2.874 -1.136) 3.907 1.015 ( 2.138 -0.798 3.367) 4.067 1.067 ( 2.162 0.536 -0.341) 2.253 1.177 ( 0.341 -1.321 -2.831) 3.143 1.304 ( 1.167 0.673 -0.149) 1.355 1.421 ( 1.758 -1.815 -0.309) 2.546 1.777 ( -5.713 8.201 -2.675) 10.346 1.831 ( -5.121 5.733 -4.912) 9.123 1.917 ( -4.835 6.232 0.396) 7.898 2.252 ( -0.672 -2.353 -1.871) 3.081 2.291 ( 1.619 0.327 1.887) 2.508 2.363 ( -0.869 8.832 2.239) 9.153 2.689 ( -1.739 1.705 1.643) 2.938 2.886 ( 0.449 5.213 0.607) 5.267 3.746 ( -6.654 8.870 0.312) 11.093 3.887 ( -1.441 7.402 0.895) 7.594 4.079 ( -3.765 -0.777 13.488) 14.025 4.130 ( -1.019 4.348 0.504) 4.494 4.242 ( -1.176 3.790 -0.974) 4.086 4.503 ( 0.183 -3.064 -8.150) 8.709 4.609 ( -1.851 0.069 2.189) 2.868 4.985 ( 9.688 -0.041 -5.853) 11.319 7.733 ( -2.365 -2.692 11.538) 12.082 8.073 ( 6.112 -5.850 -11.202) 14.038 8.512 ( 0.671 -4.288 5.102) 6.699 8.901 ( 6.202 -5.156 -10.212) 13.013 9.720 ( -3.190 0.628 3.749) 4.962 9.840 ( -0.610 -0.827 -0.106) 1.033 10.505 ( -1.172 3.396 0.615) 3.645 10.620 ( 1.703 2.054 -0.648) 2.746 12.749 ( -1.015 0.486 0.500) 1.231 12.759 ( -0.910 0.189 -0.607) 1.110 13.385 ( -0.151 1.868 5.344) 5.663 13.472 ( 1.202 -0.064 -4.603) 4.758 13.698 ( -1.511 -0.163 -0.072) 1.522 13.771 ( -0.198 3.271 -0.916) 3.403 ======================= Grid point 292 (150/160) ======================= q-point: (-0.11 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -1.321 1.577 -2.617) 3.329 1.016 ( -0.251 0.949 3.482) 3.618 1.126 ( 1.511 -1.665 1.961) 2.983 1.205 ( 3.662 -1.240 -1.754) 4.246 1.316 ( 1.124 1.182 -2.395) 2.898 1.456 ( -0.686 -1.132 0.813) 1.554 1.585 ( -4.405 8.224 -3.547) 9.981 1.706 ( -2.373 3.550 -4.322) 6.075 1.791 ( -3.517 3.491 0.002) 4.956 2.192 ( -5.233 5.753 4.761) 9.118 2.295 ( -0.241 -1.958 -0.593) 2.061 2.310 ( 1.262 0.653 0.087) 1.424 2.669 ( 3.056 3.592 -0.990) 4.819 2.847 ( 1.508 3.745 2.342) 4.667 3.562 ( -4.607 6.132 -0.459) 7.683 3.789 ( 0.087 6.217 1.140) 6.321 4.049 ( -1.049 3.144 7.606) 8.297 4.101 ( -2.794 -3.057 5.710) 7.054 4.188 ( 1.396 4.318 -2.672) 5.267 4.516 ( -0.917 -2.015 -6.811) 7.162 4.599 ( -0.572 -0.880 0.232) 1.075 5.091 ( 7.140 1.315 -3.637) 8.121 7.742 ( -3.520 -2.112 8.940) 9.838 8.198 ( 4.347 -4.385 -9.061) 10.964 8.610 ( 3.222 -5.166 3.882) 7.221 8.972 ( 0.654 -0.809 -7.454) 7.527 9.689 ( -1.541 -0.316 1.600) 2.243 9.847 ( -0.292 -1.107 0.553) 1.272 10.453 ( -0.575 2.811 1.002) 3.039 10.617 ( 1.556 1.775 -0.662) 2.452 12.730 ( -1.055 0.474 1.135) 1.620 12.745 ( -0.557 -0.195 -1.160) 1.302 13.368 ( -0.258 1.814 4.232) 4.612 13.488 ( 1.752 -0.507 -3.867) 4.275 13.683 ( -0.696 0.351 -0.760) 1.088 13.730 ( -0.097 1.963 0.199) 1.975 ======================= Grid point 298 (151/160) ======================= q-point: (-0.44 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.313 -0.000 6.108) 6.116 0.897 ( 2.349 -0.000 -3.977) 4.619 1.126 ( -1.274 0.000 1.404) 1.896 1.156 ( -0.338 0.000 -1.815) 1.847 1.335 ( 0.319 -0.000 0.859) 0.917 1.350 ( 0.281 -0.000 -0.487) 0.562 1.977 ( -2.158 0.000 -0.968) 2.366 2.001 ( 0.221 -0.000 -0.373) 0.434 2.133 ( -4.913 0.000 1.458) 5.124 2.235 ( -0.459 0.000 -2.288) 2.334 2.396 ( -3.479 0.000 1.361) 3.736 2.535 ( 3.951 -0.000 -1.326) 4.168 2.701 ( -10.632 0.000 6.506) 12.465 3.027 ( 2.262 -0.000 -7.159) 7.508 4.000 ( -5.955 0.000 6.534) 8.840 4.068 ( -2.589 0.000 0.461) 2.630 4.134 ( 1.730 -0.000 4.425) 4.751 4.207 ( -0.904 0.000 -1.338) 1.615 4.357 ( -5.749 0.000 -0.581) 5.778 4.473 ( 0.837 -0.000 -3.982) 4.069 4.648 ( -2.747 0.000 3.646) 4.565 4.862 ( 8.822 -0.000 -7.081) 11.312 7.639 ( 0.573 -0.000 17.421) 17.431 7.917 ( 2.502 -0.000 -15.140) 15.346 8.406 ( 0.934 -0.000 7.382) 7.441 8.671 ( 7.035 -0.000 -13.098) 14.868 9.776 ( -2.823 0.000 4.670) 5.457 9.838 ( -1.036 0.000 -1.043) 1.470 10.602 ( -1.256 0.000 -1.338) 1.835 10.637 ( 1.649 -0.000 0.762) 1.817 12.770 ( -0.172 0.000 1.253) 1.265 12.778 ( -1.080 0.000 -2.145) 2.402 13.407 ( 0.474 -0.000 6.787) 6.804 13.483 ( -0.345 0.000 -5.453) 5.464 13.729 ( -2.875 0.000 2.087) 3.552 13.843 ( 0.952 -0.000 -3.875) 3.990 ======================= Grid point 299 (152/160) ======================= q-point: (-0.33 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.469 3.726 3.525) 5.151 0.955 ( 4.062 -2.900 -1.641) 5.254 1.096 ( -1.951 1.130 1.323) 2.614 1.149 ( -0.650 -0.884 -2.432) 2.668 1.330 ( 0.450 1.449 0.411) 1.572 1.374 ( 1.202 -1.842 0.182) 2.207 1.906 ( -5.439 2.313 -1.809) 6.181 1.968 ( -3.113 3.656 -0.140) 4.803 2.035 ( -7.162 2.128 -0.524) 7.489 2.216 ( -1.350 -0.534 -1.857) 2.357 2.335 ( -0.615 3.510 1.505) 3.869 2.532 ( -2.663 2.927 1.482) 4.225 2.616 ( -5.395 -4.138 2.507) 7.246 2.991 ( -2.572 2.177 -4.539) 5.653 3.911 ( -6.954 3.089 5.323) 9.286 3.995 ( -4.614 2.809 2.094) 5.793 4.128 ( -1.953 2.991 3.253) 4.831 4.192 ( -1.503 -0.799 2.884) 3.349 4.266 ( -6.429 -0.001 0.075) 6.429 4.470 ( 0.687 0.023 -4.736) 4.785 4.617 ( -2.151 0.324 3.171) 3.845 4.984 ( 10.543 -0.046 -9.053) 13.896 7.699 ( 1.390 -0.269 16.416) 16.477 7.954 ( 5.161 -2.986 -13.423) 14.688 8.458 ( 3.675 -0.376 4.729) 6.001 8.775 ( 8.130 -3.559 -12.378) 15.230 9.736 ( -3.763 0.449 5.165) 6.406 9.822 ( -1.348 -0.445 0.061) 1.421 10.572 ( -1.111 1.602 -1.476) 2.445 10.651 ( 0.638 0.483 0.300) 0.855 12.757 ( -1.161 0.132 -1.705) 2.067 12.766 ( -0.826 0.200 1.601) 1.812 13.421 ( 0.003 0.871 6.407) 6.466 13.468 ( 0.136 -0.168 -5.260) 5.265 13.693 ( -2.607 -0.120 1.259) 2.898 13.832 ( -0.351 1.329 -2.326) 2.702 ======================= Grid point 300 (153/160) ======================= q-point: (-0.22 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 0.977 5.864 -0.223) 5.949 1.027 ( -0.242 -0.491 3.123) 3.170 1.077 ( 0.462 -1.878 -0.332) 1.962 1.156 ( -0.166 -2.354 -2.297) 3.293 1.330 ( 1.789 0.718 0.043) 1.928 1.420 ( 1.614 -1.736 -0.170) 2.376 1.768 ( -7.037 4.612 -1.814) 8.607 1.812 ( -5.763 5.888 -5.391) 9.847 1.900 ( -7.047 3.921 1.089) 8.138 2.216 ( -0.379 -1.629 -0.765) 1.840 2.319 ( 0.834 0.625 1.344) 1.700 2.412 ( -6.507 6.513 3.326) 9.789 2.611 ( -4.935 -4.879 2.269) 7.301 2.921 ( -2.151 0.833 -3.073) 3.843 3.739 ( -8.135 7.095 2.191) 11.015 3.903 ( -4.655 2.646 3.390) 6.337 4.047 ( -5.654 0.860 5.604) 8.007 4.167 ( -2.386 3.506 5.227) 6.731 4.199 ( -4.649 -3.318 -0.706) 5.755 4.478 ( 1.615 -0.334 -5.632) 5.869 4.598 ( -0.887 0.204 2.319) 2.491 5.108 ( 9.536 0.261 -9.382) 13.380 7.736 ( 0.397 1.523 12.094) 12.196 8.077 ( 7.390 -5.255 -10.068) 13.550 8.535 ( 5.255 -0.528 3.108) 6.128 8.907 ( 5.894 -3.787 -10.199) 12.373 9.690 ( -3.137 0.273 4.353) 5.373 9.815 ( -1.087 -1.118 1.061) 1.886 10.525 ( -1.322 2.549 -0.952) 3.025 10.646 ( -0.329 0.542 -0.188) 0.661 12.737 ( -0.854 0.104 -1.249) 1.517 12.750 ( -1.230 0.423 1.761) 2.189 13.411 ( -0.648 1.528 3.825) 4.170 13.472 ( 0.617 -0.780 -2.912) 3.077 13.668 ( -1.623 -0.690 -0.222) 1.777 13.794 ( -1.273 2.150 -0.605) 2.571 ======================= Grid point 301 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.510 6.061 -2.971) 6.917 1.015 ( -1.373 -0.763 2.707) 3.129 1.101 ( -1.540 -1.868 2.959) 3.823 1.211 ( 1.675 -4.821 -1.365) 5.283 1.348 ( 1.093 1.461 -0.565) 1.910 1.438 ( 0.129 -0.213 -0.669) 0.714 1.584 ( -8.524 6.756 0.062) 10.877 1.710 ( -0.893 2.887 -5.542) 6.313 1.766 ( -4.398 1.266 0.275) 4.585 2.193 ( -4.983 4.224 3.807) 7.560 2.269 ( -1.700 -0.275 0.742) 1.875 2.329 ( 0.334 0.571 0.790) 1.031 2.611 ( -5.764 -6.353 3.223) 9.163 2.902 ( 0.542 -0.328 -4.117) 4.166 3.556 ( -5.903 5.100 0.854) 7.847 3.808 ( -4.649 1.986 1.700) 5.333 4.006 ( -3.991 -2.985 7.899) 9.340 4.105 ( -2.293 1.421 3.300) 4.262 4.179 ( -3.336 -2.035 0.328) 3.922 4.493 ( 1.777 0.016 -5.529) 5.808 4.593 ( -0.234 0.229 1.500) 1.535 5.190 ( 5.945 1.606 -8.419) 10.431 7.734 ( -0.421 2.272 10.082) 10.343 8.211 ( 6.448 -2.707 -9.660) 11.926 8.639 ( 5.985 -1.994 3.104) 7.031 8.957 ( 0.205 0.122 -6.997) 7.001 9.669 ( -1.190 -0.527 2.451) 2.775 9.828 ( -0.020 -1.725 1.207) 2.106 10.472 ( -1.369 2.206 -0.267) 2.610 10.632 ( -0.943 0.040 -0.508) 1.072 12.724 ( -0.757 0.339 0.828) 1.172 12.734 ( -0.442 -0.101 -0.227) 0.507 13.388 ( -1.011 1.382 3.287) 3.706 13.486 ( 0.435 -1.200 -2.728) 3.012 13.664 ( -0.440 -1.145 -1.270) 1.765 13.748 ( -1.229 1.847 0.352) 2.246 ======================= Grid point 308 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 1.666 -0.000 5.750) 5.986 0.979 ( 3.818 -0.000 -3.845) 5.419 1.073 ( -2.617 0.000 1.194) 2.876 1.109 ( -2.975 0.000 -2.002) 3.586 1.360 ( 0.469 -0.000 0.637) 0.791 1.379 ( 3.202 -0.000 -0.278) 3.214 1.821 ( -7.741 0.000 -1.713) 7.929 1.932 ( -8.082 0.000 -1.698) 8.258 1.935 ( -6.718 0.000 1.728) 6.936 2.194 ( -0.852 0.000 -0.982) 1.300 2.362 ( -0.110 0.000 1.032) 1.038 2.401 ( -9.424 0.000 2.013) 9.637 2.603 ( 0.203 -0.000 -1.171) 1.189 2.913 ( -8.388 0.000 -2.198) 8.671 3.853 ( -6.892 0.000 7.909) 10.490 3.938 ( -6.603 0.000 1.580) 6.790 4.091 ( -7.811 0.000 -2.341) 8.155 4.094 ( -7.787 0.000 2.519) 8.185 4.221 ( -2.442 0.000 7.220) 7.622 4.478 ( 1.820 -0.000 -4.736) 5.074 4.600 ( -1.259 0.000 3.200) 3.438 5.111 ( 10.335 -0.000 -11.853) 15.726 7.779 ( 3.473 -0.000 17.742) 18.078 7.984 ( 6.543 -0.000 -13.586) 15.079 8.545 ( 6.751 -0.000 2.354) 7.150 8.841 ( 8.096 -0.000 -11.880) 14.376 9.695 ( -3.897 0.000 5.361) 6.628 9.800 ( -1.466 0.000 1.266) 1.937 10.562 ( -1.242 0.000 -2.434) 2.732 10.650 ( -1.275 0.000 0.623) 1.419 12.738 ( -0.904 0.000 -1.622) 1.857 12.756 ( -1.265 0.000 2.311) 2.634 13.438 ( -0.738 0.000 7.179) 7.217 13.454 ( 0.057 -0.000 -6.073) 6.073 13.659 ( -2.093 0.000 0.142) 2.098 13.822 ( -1.637 0.000 -1.008) 1.922 ======================= Grid point 309 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 2.249 5.738 1.637) 6.377 1.011 ( -2.915 0.896 1.101) 3.242 1.046 ( 0.056 -2.643 -0.760) 2.751 1.087 ( -2.957 -4.171 -0.149) 5.115 1.369 ( 1.887 0.566 0.534) 2.041 1.435 ( 2.945 -0.362 -1.400) 3.281 1.690 ( -8.438 1.764 -0.932) 8.671 1.789 ( -5.107 3.219 -3.111) 6.792 1.819 ( -8.920 1.631 0.732) 9.098 2.166 ( -5.433 -2.594 0.907) 6.088 2.327 ( 0.043 -0.513 -0.678) 0.851 2.368 ( -2.467 0.176 1.129) 2.719 2.535 ( -5.642 4.886 1.982) 7.723 2.811 ( -8.246 -5.835 -1.319) 10.187 3.713 ( -8.483 6.383 4.657) 11.593 3.850 ( -6.645 0.048 3.226) 7.386 3.944 ( -9.491 -0.680 2.041) 9.732 4.026 ( -9.116 -5.663 -0.607) 10.749 4.191 ( -2.643 1.658 9.284) 9.794 4.499 ( 2.738 0.150 -5.185) 5.866 4.598 ( -0.094 0.079 3.091) 3.093 5.213 ( 7.995 0.374 -13.455) 15.655 7.835 ( 3.423 4.703 13.849) 15.021 8.098 ( 8.058 -5.200 -10.418) 14.160 8.642 ( 7.611 1.338 0.948) 7.785 8.932 ( 5.357 -1.419 -9.532) 11.026 9.660 ( -2.217 -0.163 4.302) 4.842 9.790 ( -1.022 -0.901 2.188) 2.577 10.524 ( -1.941 1.483 -2.191) 3.282 10.623 ( -2.825 -0.486 0.373) 2.890 12.726 ( -0.293 0.000 -1.240) 1.274 12.741 ( -1.401 0.267 2.553) 2.925 13.421 ( -1.338 1.284 2.517) 3.126 13.455 ( -0.525 -1.283 -1.684) 2.181 13.640 ( -0.803 -0.577 -1.496) 1.793 13.785 ( -2.531 0.848 0.425) 2.703 ======================= Grid point 310 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.109 7.518 -2.701) 8.262 0.972 ( -2.431 -1.791 1.468) 3.358 1.052 ( -2.629 -2.689 2.881) 4.737 1.140 ( -0.368 -6.390 0.872) 6.459 1.359 ( -3.379 3.020 0.280) 4.540 1.452 ( 1.188 0.175 -1.544) 1.956 1.537 ( -6.994 4.143 1.074) 8.200 1.670 ( -8.543 0.395 1.932) 8.768 1.755 ( 3.051 1.051 -5.753) 6.596 2.136 ( -5.078 -5.043 0.943) 7.219 2.240 ( -7.476 5.604 3.782) 10.079 2.351 ( 1.605 0.857 0.875) 2.019 2.460 ( -3.761 -4.205 1.541) 5.848 2.805 ( -5.673 -7.995 -2.674) 10.161 3.532 ( -6.622 4.734 2.227) 8.439 3.728 ( -8.893 0.478 0.683) 8.932 3.895 ( -5.607 -6.116 4.435) 9.408 3.976 ( -8.998 -7.077 -0.906) 11.483 4.161 ( -1.543 1.456 11.362) 11.558 4.524 ( 2.989 0.662 -5.676) 6.449 4.603 ( 0.172 0.572 3.057) 3.115 5.257 ( 3.908 1.656 -13.667) 14.311 7.833 ( 2.960 6.501 10.767) 12.921 8.251 ( 7.232 -3.672 -9.301) 12.341 8.734 ( 7.037 0.996 1.459) 7.256 8.955 ( 0.214 1.480 -6.232) 6.409 9.657 ( -0.168 -0.379 2.818) 2.848 9.810 ( 0.561 -2.140 1.765) 2.830 10.466 ( -2.589 1.558 -1.130) 3.227 10.590 ( -3.441 -1.412 -0.297) 3.732 12.721 ( -0.697 0.346 1.765) 1.929 12.729 ( 0.193 -0.244 -0.368) 0.482 13.389 ( -1.969 1.037 2.920) 3.671 13.458 ( -0.869 -1.687 -2.695) 3.296 13.644 ( 0.333 -1.156 -2.409) 2.693 13.739 ( -2.463 0.717 1.143) 2.808 ======================= Grid point 318 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.843 -0.000 2.424) 2.566 0.976 ( -4.967 0.000 2.837) 5.720 0.984 ( -3.364 0.000 -1.368) 3.631 1.034 ( 0.489 -0.000 -0.765) 0.908 1.402 ( 2.369 -0.000 0.265) 2.383 1.460 ( -0.363 0.000 -3.348) 3.368 1.585 ( -7.306 0.000 0.326) 7.313 1.666 ( -11.660 0.000 3.809) 12.267 1.790 ( 2.620 -0.000 -5.830) 6.392 2.017 ( -10.052 0.000 -0.744) 10.079 2.350 ( 3.606 -0.000 -1.715) 3.993 2.370 ( 0.728 -0.000 0.943) 1.191 2.538 ( -4.820 0.000 1.627) 5.088 2.553 ( -16.809 0.000 4.317) 17.354 3.671 ( -7.841 0.000 6.560) 10.224 3.725 ( -8.615 0.000 1.986) 8.841 3.793 ( -11.987 0.000 -4.244) 12.716 3.834 ( -10.409 0.000 2.722) 10.759 4.186 ( -2.455 0.000 13.184) 13.410 4.530 ( 3.129 -0.000 -5.351) 6.198 4.611 ( 0.479 -0.000 3.901) 3.930 5.277 ( 5.105 -0.000 -16.506) 17.277 7.969 ( 4.093 -0.000 17.166) 17.647 8.148 ( 8.867 -0.000 -13.896) 16.484 8.760 ( 7.062 -0.000 -0.023) 7.062 8.971 ( 3.398 -0.000 -7.741) 8.454 9.653 ( 0.447 -0.000 3.036) 3.069 9.777 ( -0.597 0.000 3.020) 3.079 10.496 ( -2.658 0.000 -2.906) 3.939 10.564 ( -4.951 0.000 1.053) 5.062 12.724 ( 0.402 -0.000 -1.026) 1.102 12.729 ( -1.301 0.000 2.967) 3.239 13.413 ( -3.173 0.000 6.727) 7.438 13.425 ( -0.262 0.000 -6.583) 6.588 13.628 ( 0.364 -0.000 -2.834) 2.857 13.749 ( -3.363 0.000 1.614) 3.731 ======================= Grid point 319 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -2.254 3.241 -0.446) 3.972 0.942 ( -1.501 0.416 1.341) 2.055 0.977 ( -0.271 -3.522 1.201) 3.731 1.071 ( 0.148 -4.452 1.024) 4.571 1.342 ( -6.272 5.640 -0.705) 8.465 1.459 ( -0.412 1.125 -0.525) 1.308 1.504 ( -2.107 -0.057 -0.430) 2.151 1.524 ( -10.213 -2.583 3.196) 11.009 1.812 ( 0.469 3.438 -4.268) 5.500 1.968 ( -0.818 -9.231 -3.846) 10.034 2.201 ( -14.031 8.744 6.202) 17.658 2.400 ( 3.010 1.176 1.702) 3.653 2.423 ( 1.925 -1.210 -0.088) 2.275 2.557 ( -9.447 -11.503 1.947) 15.012 3.505 ( -6.916 5.663 1.872) 9.133 3.579 ( -12.501 0.287 -1.293) 12.571 3.713 ( -8.290 -9.497 2.091) 12.779 3.741 ( -9.240 -6.038 0.799) 11.067 4.192 ( -0.387 0.750 17.108) 17.129 4.563 ( 3.412 0.349 -6.167) 7.057 4.623 ( 0.330 0.545 4.580) 4.624 5.278 ( 1.261 1.225 -17.951) 18.037 8.004 ( 4.024 7.194 12.723) 15.160 8.280 ( 7.488 -4.173 -10.889) 13.858 8.840 ( 5.027 0.767 0.796) 5.147 8.971 ( 0.403 2.112 -5.496) 5.902 9.678 ( 2.276 0.792 2.050) 3.164 9.799 ( 1.132 -2.169 2.223) 3.305 10.436 ( -3.650 1.284 -1.605) 4.189 10.504 ( -5.225 -2.144 0.191) 5.651 12.719 ( -0.810 0.146 2.903) 3.017 12.734 ( 0.966 -0.221 -0.894) 1.335 13.372 ( -2.995 0.739 4.169) 5.186 13.415 ( -0.929 -1.419 -4.805) 5.095 13.636 ( 1.022 -0.636 -3.479) 3.681 13.705 ( -3.258 -0.065 2.181) 3.921 ======================= Grid point 328 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -1.442 0.000 4.823) 5.034 0.900 ( -0.892 0.000 -2.204) 2.377 0.995 ( 1.996 -0.000 1.314) 2.390 1.046 ( 0.423 -0.000 0.478) 0.638 1.308 ( -5.775 0.000 -3.502) 6.754 1.347 ( -10.130 0.000 4.283) 10.998 1.473 ( -1.284 0.000 -0.150) 1.293 1.486 ( 2.937 -0.000 -2.105) 3.613 1.746 ( -7.756 0.000 -2.429) 8.128 1.970 ( -2.582 0.000 -1.929) 3.223 2.045 ( -7.739 0.000 4.442) 8.923 2.351 ( -7.445 0.000 5.283) 9.129 2.466 ( 2.980 -0.000 -0.700) 3.061 2.474 ( 5.598 -0.000 0.533) 5.623 3.380 ( -13.904 0.000 -3.167) 14.260 3.449 ( -11.290 0.000 0.720) 11.313 3.525 ( -3.188 0.000 1.264) 3.430 3.592 ( -6.867 0.000 3.074) 7.524 4.245 ( 1.178 -0.000 21.234) 21.267 4.603 ( 3.927 -0.000 -7.141) 8.150 4.642 ( 0.215 -0.000 5.853) 5.857 5.241 ( -1.694 0.000 -20.479) 20.549 8.131 ( 1.523 -0.000 16.026) 16.098 8.336 ( 8.426 -0.000 -14.889) 17.108 8.893 ( 1.688 -0.000 1.556) 2.296 8.978 ( -0.007 0.000 -4.506) 4.506 9.742 ( 4.328 -0.000 0.652) 4.377 9.805 ( 1.746 -0.000 2.198) 2.807 10.396 ( -3.002 0.000 -3.107) 4.321 10.400 ( -6.489 0.000 2.205) 6.853 12.717 ( -0.476 0.000 3.023) 3.060 12.745 ( 1.125 -0.000 -0.971) 1.486 13.342 ( -3.115 0.000 4.724) 5.658 13.384 ( -0.452 0.000 -5.888) 5.906 13.641 ( 1.440 -0.000 -4.187) 4.427 13.662 ( -3.207 0.000 2.796) 4.255 =================== 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 3/20412 10.0 61.003 44.189 59.765 0.000 -21.057 -0.000 3/20412 20.0 22.775 17.668 17.745 0.000 -7.093 -0.000 3/20412 30.0 14.468 11.294 9.906 0.000 -4.284 -0.000 3/20412 40.0 10.715 8.404 6.869 0.000 -3.090 -0.000 3/20412 50.0 8.509 6.703 5.323 0.000 -2.420 -0.000 3/20412 60.0 7.058 5.584 4.412 0.000 -1.995 -0.000 3/20412 70.0 6.036 4.793 3.816 0.000 -1.702 -0.000 3/20412 80.0 5.277 4.204 3.392 0.000 -1.488 -0.000 3/20412 90.0 4.691 3.747 3.071 0.000 -1.325 -0.000 3/20412 100.0 4.225 3.383 2.815 0.000 -1.196 -0.000 3/20412 110.0 3.845 3.084 2.604 0.000 -1.091 -0.000 3/20412 120.0 3.529 2.835 2.426 0.000 -1.004 -0.000 3/20412 130.0 3.262 2.624 2.272 0.000 -0.930 -0.000 3/20412 140.0 3.033 2.443 2.137 0.000 -0.867 -0.000 3/20412 150.0 2.835 2.285 2.018 0.000 -0.812 -0.000 3/20412 160.0 2.661 2.147 1.911 0.000 -0.764 -0.000 3/20412 170.0 2.507 2.024 1.816 0.000 -0.721 -0.000 3/20412 180.0 2.371 1.915 1.729 0.000 -0.683 -0.000 3/20412 190.0 2.248 1.817 1.650 0.000 -0.649 -0.000 3/20412 200.0 2.138 1.729 1.578 0.000 -0.618 -0.000 3/20412 210.0 2.038 1.649 1.512 0.000 -0.589 -0.000 3/20412 220.0 1.947 1.576 1.451 0.000 -0.564 -0.000 3/20412 230.0 1.864 1.509 1.394 0.000 -0.540 -0.000 3/20412 240.0 1.788 1.448 1.342 0.000 -0.519 -0.000 3/20412 250.0 1.718 1.391 1.293 0.000 -0.499 -0.000 3/20412 260.0 1.653 1.339 1.248 0.000 -0.480 -0.000 3/20412 270.0 1.592 1.290 1.206 0.000 -0.463 -0.000 3/20412 280.0 1.536 1.245 1.166 0.000 -0.447 -0.000 3/20412 290.0 1.484 1.203 1.129 0.000 -0.432 -0.000 3/20412 300.0 1.435 1.164 1.094 0.000 -0.418 -0.000 3/20412 310.0 1.390 1.127 1.061 0.000 -0.405 -0.000 3/20412 320.0 1.347 1.092 1.030 0.000 -0.393 -0.000 3/20412 330.0 1.307 1.060 1.001 0.000 -0.381 -0.000 3/20412 340.0 1.269 1.029 0.973 0.000 -0.370 -0.000 3/20412 350.0 1.233 1.000 0.947 0.000 -0.360 -0.000 3/20412 360.0 1.199 0.973 0.922 0.000 -0.350 -0.000 3/20412 370.0 1.167 0.947 0.899 0.000 -0.341 -0.000 3/20412 380.0 1.137 0.922 0.876 0.000 -0.332 -0.000 3/20412 390.0 1.108 0.899 0.855 0.000 -0.324 -0.000 3/20412 400.0 1.080 0.877 0.834 0.000 -0.316 -0.000 3/20412 410.0 1.054 0.856 0.815 0.000 -0.308 -0.000 3/20412 420.0 1.029 0.836 0.796 0.000 -0.301 -0.000 3/20412 430.0 1.006 0.817 0.778 0.000 -0.294 -0.000 3/20412 440.0 0.983 0.798 0.761 0.000 -0.288 -0.000 3/20412 450.0 0.961 0.781 0.745 0.000 -0.281 -0.000 3/20412 460.0 0.941 0.764 0.730 0.000 -0.275 -0.000 3/20412 470.0 0.921 0.748 0.715 0.000 -0.270 -0.000 3/20412 480.0 0.902 0.732 0.700 0.000 -0.264 -0.000 3/20412 490.0 0.884 0.718 0.686 0.000 -0.259 -0.000 3/20412 500.0 0.866 0.703 0.673 0.000 -0.254 -0.000 3/20412 510.0 0.849 0.690 0.660 0.000 -0.249 -0.000 3/20412 520.0 0.833 0.677 0.648 0.000 -0.244 -0.000 3/20412 530.0 0.817 0.664 0.636 0.000 -0.239 -0.000 3/20412 540.0 0.802 0.652 0.625 0.000 -0.235 -0.000 3/20412 550.0 0.788 0.640 0.614 0.000 -0.231 -0.000 3/20412 560.0 0.774 0.629 0.603 0.000 -0.227 -0.000 3/20412 570.0 0.761 0.618 0.593 0.000 -0.223 -0.000 3/20412 580.0 0.747 0.607 0.583 0.000 -0.219 -0.000 3/20412 590.0 0.735 0.597 0.573 0.000 -0.215 -0.000 3/20412 600.0 0.723 0.587 0.564 0.000 -0.212 -0.000 3/20412 610.0 0.711 0.578 0.555 0.000 -0.208 -0.000 3/20412 620.0 0.700 0.568 0.546 0.000 -0.205 -0.000 3/20412 630.0 0.689 0.559 0.537 0.000 -0.202 -0.000 3/20412 640.0 0.678 0.551 0.529 0.000 -0.199 -0.000 3/20412 650.0 0.667 0.542 0.521 0.000 -0.196 -0.000 3/20412 660.0 0.657 0.534 0.513 0.000 -0.193 -0.000 3/20412 670.0 0.648 0.526 0.506 0.000 -0.190 -0.000 3/20412 680.0 0.638 0.519 0.499 0.000 -0.187 -0.000 3/20412 690.0 0.629 0.511 0.491 0.000 -0.184 -0.000 3/20412 700.0 0.620 0.504 0.485 0.000 -0.182 -0.000 3/20412 710.0 0.611 0.497 0.478 0.000 -0.179 -0.000 3/20412 720.0 0.603 0.490 0.471 0.000 -0.177 -0.000 3/20412 730.0 0.595 0.483 0.465 0.000 -0.174 -0.000 3/20412 740.0 0.587 0.477 0.459 0.000 -0.172 -0.000 3/20412 750.0 0.579 0.470 0.453 0.000 -0.170 -0.000 3/20412 760.0 0.571 0.464 0.447 0.000 -0.168 -0.000 3/20412 770.0 0.564 0.458 0.441 0.000 -0.165 -0.000 3/20412 780.0 0.557 0.452 0.436 0.000 -0.163 -0.000 3/20412 790.0 0.550 0.447 0.430 0.000 -0.161 -0.000 3/20412 800.0 0.543 0.441 0.425 0.000 -0.159 -0.000 3/20412 810.0 0.536 0.436 0.420 0.000 -0.157 -0.000 3/20412 820.0 0.530 0.430 0.415 0.000 -0.155 -0.000 3/20412 830.0 0.523 0.425 0.410 0.000 -0.154 -0.000 3/20412 840.0 0.517 0.420 0.405 0.000 -0.152 -0.000 3/20412 850.0 0.511 0.415 0.400 0.000 -0.150 -0.000 3/20412 860.0 0.505 0.411 0.396 0.000 -0.148 -0.000 3/20412 870.0 0.499 0.406 0.391 0.000 -0.147 -0.000 3/20412 880.0 0.494 0.401 0.387 0.000 -0.145 -0.000 3/20412 890.0 0.488 0.397 0.382 0.000 -0.143 -0.000 3/20412 900.0 0.483 0.392 0.378 0.000 -0.142 -0.000 3/20412 910.0 0.478 0.388 0.374 0.000 -0.140 -0.000 3/20412 920.0 0.472 0.384 0.370 0.000 -0.139 -0.000 3/20412 930.0 0.467 0.380 0.366 0.000 -0.137 -0.000 3/20412 940.0 0.462 0.376 0.362 0.000 -0.136 -0.000 3/20412 950.0 0.457 0.372 0.358 0.000 -0.134 -0.000 3/20412 960.0 0.453 0.368 0.355 0.000 -0.133 -0.000 3/20412 970.0 0.448 0.364 0.351 0.000 -0.131 -0.000 3/20412 980.0 0.444 0.360 0.348 0.000 -0.130 -0.000 3/20412 990.0 0.439 0.357 0.344 0.000 -0.129 -0.000 3/20412 1000.0 0.435 0.353 0.341 0.000 -0.128 -0.000 3/20412 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:40:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|