----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:54:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.668675065000000 -4.135510790000000 0.000000000000000 b 2.668675065000000 4.135510790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.166312449999999 Atomic positions (fractional): *1 O 0.76355808863287 0.69331108092342 0.75000000000000 15.999 2 O 0.23644191136713 0.30668891907659 0.25000000000000 15.999 3 O 0.69331108092342 0.76355808863287 0.25000000000000 15.999 4 O 0.30668891907658 0.23644191136713 0.75000000000000 15.999 *5 O 0.73751521527201 0.26248478472799 0.92279400010882 15.999 6 O 0.26248478472799 0.73751521527201 0.42279400010883 15.999 7 O 0.26248478472799 0.73751521527201 0.07720599989118 15.999 8 O 0.73751521527201 0.26248478472799 0.57720599989118 15.999 *9 S 0.35734441474813 0.64265558525187 0.25000000000000 32.065 10 S 0.64265558525187 0.35734441474813 0.75000000000000 32.065 *11 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 12 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.337350130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.271021579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.166312449999999 Atomic positions (fractional): *1 O 0.72843458477814 0.96487649614528 0.75000000000000 15.999 > 1 2 O 0.27156541522186 0.03512350385472 0.25000000000000 15.999 > 2 3 O 0.72843458477814 0.03512350385472 0.25000000000000 15.999 > 3 4 O 0.27156541522186 0.96487649614528 0.75000000000000 15.999 > 4 *5 O 0.50000000000000 0.76248478472799 0.92279400010882 15.999 > 5 6 O 0.50000000000000 0.23751521527201 0.42279400010883 15.999 > 6 7 O 0.50000000000000 0.23751521527201 0.07720599989118 15.999 > 7 8 O 0.50000000000000 0.76248478472799 0.57720599989118 15.999 > 8 9 O 0.22843458477814 0.46487649614527 0.75000000000000 15.999 > 1 10 O 0.77156541522186 0.53512350385472 0.25000000000000 15.999 > 2 11 O 0.22843458477814 0.53512350385472 0.25000000000000 15.999 > 3 12 O 0.77156541522186 0.46487649614527 0.75000000000000 15.999 > 4 13 O 0.00000000000000 0.26248478472799 0.92279400010882 15.999 > 5 14 O 0.00000000000000 0.73751521527201 0.42279400010883 15.999 > 6 15 O 0.00000000000000 0.73751521527201 0.07720599989118 15.999 > 7 16 O 0.00000000000000 0.26248478472799 0.57720599989118 15.999 > 8 *17 S 0.50000000000000 0.14265558525187 0.25000000000000 32.065 > 9 18 S 0.50000000000000 0.85734441474813 0.75000000000000 32.065 > 10 19 S 0.00000000000000 0.64265558525187 0.25000000000000 32.065 > 9 20 S 0.00000000000000 0.35734441474813 0.75000000000000 32.065 > 10 *21 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 11 22 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 12 23 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 11 24 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.674700260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.271021579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.332624899999997 Atomic positions (fractional): *1 O 0.36421729238907 0.96487649614528 0.37500000000000 15.999 > 1 2 O 0.86421729238907 0.96487649614528 0.37500000000000 15.999 > 1 3 O 0.36421729238907 0.96487649614528 0.87500000000000 15.999 > 1 4 O 0.86421729238907 0.96487649614528 0.87500000000000 15.999 > 1 5 O 0.13578270761093 0.03512350385472 0.12500000000000 15.999 > 2 6 O 0.63578270761093 0.03512350385472 0.12500000000000 15.999 > 2 7 O 0.13578270761093 0.03512350385472 0.62500000000000 15.999 > 2 8 O 0.63578270761093 0.03512350385472 0.62500000000000 15.999 > 2 9 O 0.36421729238907 0.03512350385472 0.12500000000000 15.999 > 3 10 O 0.86421729238907 0.03512350385472 0.12500000000000 15.999 > 3 11 O 0.36421729238907 0.03512350385472 0.62500000000000 15.999 > 3 12 O 0.86421729238907 0.03512350385472 0.62500000000000 15.999 > 3 13 O 0.13578270761093 0.96487649614528 0.37500000000000 15.999 > 4 14 O 0.63578270761093 0.96487649614528 0.37500000000000 15.999 > 4 15 O 0.13578270761093 0.96487649614528 0.87500000000000 15.999 > 4 16 O 0.63578270761093 0.96487649614528 0.87500000000000 15.999 > 4 *17 O 0.25000000000000 0.76248478472799 0.46139700005441 15.999 > 5 18 O 0.75000000000000 0.76248478472799 0.46139700005441 15.999 > 5 19 O 0.25000000000000 0.76248478472799 0.96139700005441 15.999 > 5 20 O 0.75000000000000 0.76248478472799 0.96139700005441 15.999 > 5 21 O 0.25000000000000 0.23751521527201 0.21139700005441 15.999 > 6 22 O 0.75000000000000 0.23751521527201 0.21139700005441 15.999 > 6 23 O 0.25000000000000 0.23751521527201 0.71139700005441 15.999 > 6 24 O 0.75000000000000 0.23751521527201 0.71139700005441 15.999 > 6 25 O 0.25000000000000 0.23751521527201 0.03860299994559 15.999 > 7 26 O 0.75000000000000 0.23751521527201 0.03860299994559 15.999 > 7 27 O 0.25000000000000 0.23751521527201 0.53860299994559 15.999 > 7 28 O 0.75000000000000 0.23751521527201 0.53860299994559 15.999 > 7 29 O 0.25000000000000 0.76248478472799 0.28860299994559 15.999 > 8 30 O 0.75000000000000 0.76248478472799 0.28860299994559 15.999 > 8 31 O 0.25000000000000 0.76248478472799 0.78860299994559 15.999 > 8 32 O 0.75000000000000 0.76248478472799 0.78860299994559 15.999 > 8 33 O 0.11421729238907 0.46487649614527 0.37500000000000 15.999 > 1 34 O 0.61421729238907 0.46487649614527 0.37500000000000 15.999 > 1 35 O 0.11421729238907 0.46487649614527 0.87500000000000 15.999 > 1 36 O 0.61421729238907 0.46487649614527 0.87500000000000 15.999 > 1 37 O 0.38578270761093 0.53512350385472 0.12500000000000 15.999 > 2 38 O 0.88578270761093 0.53512350385472 0.12500000000000 15.999 > 2 39 O 0.38578270761093 0.53512350385472 0.62500000000000 15.999 > 2 40 O 0.88578270761093 0.53512350385472 0.62500000000000 15.999 > 2 41 O 0.11421729238907 0.53512350385472 0.12500000000000 15.999 > 3 42 O 0.61421729238907 0.53512350385472 0.12500000000000 15.999 > 3 43 O 0.11421729238907 0.53512350385472 0.62500000000000 15.999 > 3 44 O 0.61421729238907 0.53512350385472 0.62500000000000 15.999 > 3 45 O 0.38578270761093 0.46487649614527 0.37500000000000 15.999 > 4 46 O 0.88578270761093 0.46487649614527 0.37500000000000 15.999 > 4 47 O 0.38578270761093 0.46487649614527 0.87500000000000 15.999 > 4 48 O 0.88578270761093 0.46487649614527 0.87500000000000 15.999 > 4 49 O 0.00000000000000 0.26248478472799 0.46139700005441 15.999 > 5 50 O 0.50000000000000 0.26248478472799 0.46139700005441 15.999 > 5 51 O 0.00000000000000 0.26248478472799 0.96139700005441 15.999 > 5 52 O 0.50000000000000 0.26248478472799 0.96139700005441 15.999 > 5 53 O 0.00000000000000 0.73751521527201 0.21139700005441 15.999 > 6 54 O 0.50000000000000 0.73751521527201 0.21139700005441 15.999 > 6 55 O 0.00000000000000 0.73751521527201 0.71139700005441 15.999 > 6 56 O 0.50000000000000 0.73751521527201 0.71139700005441 15.999 > 6 57 O 0.00000000000000 0.73751521527201 0.03860299994559 15.999 > 7 58 O 0.50000000000000 0.73751521527201 0.03860299994559 15.999 > 7 59 O 0.00000000000000 0.73751521527201 0.53860299994559 15.999 > 7 60 O 0.50000000000000 0.73751521527201 0.53860299994559 15.999 > 7 61 O 0.00000000000000 0.26248478472799 0.28860299994559 15.999 > 8 62 O 0.50000000000000 0.26248478472799 0.28860299994559 15.999 > 8 63 O 0.00000000000000 0.26248478472799 0.78860299994559 15.999 > 8 64 O 0.50000000000000 0.26248478472799 0.78860299994559 15.999 > 8 *65 S 0.25000000000000 0.14265558525187 0.12500000000000 32.065 > 9 66 S 0.75000000000000 0.14265558525187 0.12500000000000 32.065 > 9 67 S 0.25000000000000 0.14265558525187 0.62500000000000 32.065 > 9 68 S 0.75000000000000 0.14265558525187 0.62500000000000 32.065 > 9 69 S 0.25000000000000 0.85734441474813 0.37500000000000 32.065 > 10 70 S 0.75000000000000 0.85734441474813 0.37500000000000 32.065 > 10 71 S 0.25000000000000 0.85734441474813 0.87500000000000 32.065 > 10 72 S 0.75000000000000 0.85734441474813 0.87500000000000 32.065 > 10 73 S 0.00000000000000 0.64265558525187 0.12500000000000 32.065 > 9 74 S 0.50000000000000 0.64265558525187 0.12500000000000 32.065 > 9 75 S 0.00000000000000 0.64265558525187 0.62500000000000 32.065 > 9 76 S 0.50000000000000 0.64265558525187 0.62500000000000 32.065 > 9 77 S 0.00000000000000 0.35734441474813 0.37500000000000 32.065 > 10 78 S 0.50000000000000 0.35734441474813 0.37500000000000 32.065 > 10 79 S 0.00000000000000 0.35734441474813 0.87500000000000 32.065 > 10 80 S 0.50000000000000 0.35734441474813 0.87500000000000 32.065 > 10 *81 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 11 82 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 11 83 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 11 84 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 11 85 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 12 86 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 12 87 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 12 88 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 12 89 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 11 90 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 11 91 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 11 92 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 11 93 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 12 94 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 12 95 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 12 96 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0138221 0.0000000 0.0000000 0.0000000 2.9720856 0.0000000 0.0000000 0.0000000 2.9511819 -------------------------- Born effective charges -------------------------- 1 O -2.4393947 -0.8923356 0.0000000 -0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 2 O -2.4393947 -0.8923356 0.0000000 -0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 3 O -2.4393947 0.8923356 0.0000000 0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 4 O -2.4393947 0.8923356 0.0000000 0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 5 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 0.7845020 0.0000000 0.6965467 -1.6848384 6 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 -0.7845020 0.0000000 -0.6965467 -1.6848384 7 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 0.7845020 0.0000000 0.6965467 -1.6848384 8 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 -0.7845020 0.0000000 -0.6965467 -1.6848384 9 S 4.2403414 0.0000000 0.0000000 0.0000000 3.6750951 0.0000000 0.0000000 0.0000000 3.2885726 10 S 4.2403414 0.0000000 0.0000000 0.0000000 3.6750951 0.0000000 0.0000000 0.0000000 3.2885726 11 Cd 2.5206065 0.0000000 0.0000000 0.0000000 2.5779985 -0.3141518 0.0000000 0.3248988 2.6152397 12 Cd 2.5206065 0.0000000 0.0000000 0.0000000 2.5779985 0.3141518 0.0000000 -0.3248988 2.6152397 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.576 Solver_block: 200 / 240 - Time: 0.571 Solver_block: 240 / 240 - Time: 0.266 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.429 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 760 Number of blocks in projector: 760 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 94 Use standard eigh solver. Tree of FC basis block matrices: - (760, 742), data: False |-- (94, 94), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (126, 122), data: True |-- (128, 126), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:54:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:54:45]------------------------- 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: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.668675065000000 -4.135510790000000 0.000000000000000 b 2.668675065000000 4.135510790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.166312449999999 Atomic positions (fractional): 1 O 0.76355808863287 0.69331108092342 0.75000000000000 15.999 2 O 0.23644191136713 0.30668891907659 0.25000000000000 15.999 3 O 0.69331108092342 0.76355808863287 0.25000000000000 15.999 4 O 0.30668891907658 0.23644191136713 0.75000000000000 15.999 5 O 0.73751521527201 0.26248478472799 0.92279400010882 15.999 6 O 0.26248478472799 0.73751521527201 0.42279400010883 15.999 7 O 0.26248478472799 0.73751521527201 0.07720599989118 15.999 8 O 0.73751521527201 0.26248478472799 0.57720599989118 15.999 9 S 0.35734441474813 0.64265558525187 0.25000000000000 32.065 10 S 0.64265558525187 0.35734441474813 0.75000000000000 32.065 11 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 12 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.674700260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.271021579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.332624899999997 Atomic positions (fractional): 1 O 0.36421729238907 0.96487649614528 0.37500000000000 15.999 > 1 2 O 0.86421729238907 0.96487649614528 0.37500000000000 15.999 > 1 3 O 0.36421729238907 0.96487649614528 0.87500000000000 15.999 > 1 4 O 0.86421729238907 0.96487649614528 0.87500000000000 15.999 > 1 5 O 0.13578270761093 0.03512350385472 0.12500000000000 15.999 > 5 6 O 0.63578270761093 0.03512350385472 0.12500000000000 15.999 > 5 7 O 0.13578270761093 0.03512350385472 0.62500000000000 15.999 > 5 8 O 0.63578270761093 0.03512350385472 0.62500000000000 15.999 > 5 9 O 0.36421729238907 0.03512350385472 0.12500000000000 15.999 > 9 10 O 0.86421729238907 0.03512350385472 0.12500000000000 15.999 > 9 11 O 0.36421729238907 0.03512350385472 0.62500000000000 15.999 > 9 12 O 0.86421729238907 0.03512350385472 0.62500000000000 15.999 > 9 13 O 0.13578270761093 0.96487649614528 0.37500000000000 15.999 > 13 14 O 0.63578270761093 0.96487649614528 0.37500000000000 15.999 > 13 15 O 0.13578270761093 0.96487649614528 0.87500000000000 15.999 > 13 16 O 0.63578270761093 0.96487649614528 0.87500000000000 15.999 > 13 17 O 0.25000000000000 0.76248478472799 0.46139700005441 15.999 > 17 18 O 0.75000000000000 0.76248478472799 0.46139700005441 15.999 > 17 19 O 0.25000000000000 0.76248478472799 0.96139700005441 15.999 > 17 20 O 0.75000000000000 0.76248478472799 0.96139700005441 15.999 > 17 21 O 0.25000000000000 0.23751521527201 0.21139700005441 15.999 > 21 22 O 0.75000000000000 0.23751521527201 0.21139700005441 15.999 > 21 23 O 0.25000000000000 0.23751521527201 0.71139700005441 15.999 > 21 24 O 0.75000000000000 0.23751521527201 0.71139700005441 15.999 > 21 25 O 0.25000000000000 0.23751521527201 0.03860299994559 15.999 > 25 26 O 0.75000000000000 0.23751521527201 0.03860299994559 15.999 > 25 27 O 0.25000000000000 0.23751521527201 0.53860299994559 15.999 > 25 28 O 0.75000000000000 0.23751521527201 0.53860299994559 15.999 > 25 29 O 0.25000000000000 0.76248478472799 0.28860299994559 15.999 > 29 30 O 0.75000000000000 0.76248478472799 0.28860299994559 15.999 > 29 31 O 0.25000000000000 0.76248478472799 0.78860299994559 15.999 > 29 32 O 0.75000000000000 0.76248478472799 0.78860299994559 15.999 > 29 33 O 0.11421729238907 0.46487649614527 0.37500000000000 15.999 > 1 34 O 0.61421729238907 0.46487649614527 0.37500000000000 15.999 > 1 35 O 0.11421729238907 0.46487649614527 0.87500000000000 15.999 > 1 36 O 0.61421729238907 0.46487649614527 0.87500000000000 15.999 > 1 37 O 0.38578270761093 0.53512350385472 0.12500000000000 15.999 > 5 38 O 0.88578270761093 0.53512350385472 0.12500000000000 15.999 > 5 39 O 0.38578270761093 0.53512350385472 0.62500000000000 15.999 > 5 40 O 0.88578270761093 0.53512350385472 0.62500000000000 15.999 > 5 41 O 0.11421729238907 0.53512350385472 0.12500000000000 15.999 > 9 42 O 0.61421729238907 0.53512350385472 0.12500000000000 15.999 > 9 43 O 0.11421729238907 0.53512350385472 0.62500000000000 15.999 > 9 44 O 0.61421729238907 0.53512350385472 0.62500000000000 15.999 > 9 45 O 0.38578270761093 0.46487649614527 0.37500000000000 15.999 > 13 46 O 0.88578270761093 0.46487649614527 0.37500000000000 15.999 > 13 47 O 0.38578270761093 0.46487649614527 0.87500000000000 15.999 > 13 48 O 0.88578270761093 0.46487649614527 0.87500000000000 15.999 > 13 49 O 0.00000000000000 0.26248478472799 0.46139700005441 15.999 > 17 50 O 0.50000000000000 0.26248478472799 0.46139700005441 15.999 > 17 51 O 0.00000000000000 0.26248478472799 0.96139700005441 15.999 > 17 52 O 0.50000000000000 0.26248478472799 0.96139700005441 15.999 > 17 53 O 0.00000000000000 0.73751521527201 0.21139700005441 15.999 > 21 54 O 0.50000000000000 0.73751521527201 0.21139700005441 15.999 > 21 55 O 0.00000000000000 0.73751521527201 0.71139700005441 15.999 > 21 56 O 0.50000000000000 0.73751521527201 0.71139700005441 15.999 > 21 57 O 0.00000000000000 0.73751521527201 0.03860299994559 15.999 > 25 58 O 0.50000000000000 0.73751521527201 0.03860299994559 15.999 > 25 59 O 0.00000000000000 0.73751521527201 0.53860299994559 15.999 > 25 60 O 0.50000000000000 0.73751521527201 0.53860299994559 15.999 > 25 61 O 0.00000000000000 0.26248478472799 0.28860299994559 15.999 > 29 62 O 0.50000000000000 0.26248478472799 0.28860299994559 15.999 > 29 63 O 0.00000000000000 0.26248478472799 0.78860299994559 15.999 > 29 64 O 0.50000000000000 0.26248478472799 0.78860299994559 15.999 > 29 65 S 0.25000000000000 0.14265558525187 0.12500000000000 32.065 > 65 66 S 0.75000000000000 0.14265558525187 0.12500000000000 32.065 > 65 67 S 0.25000000000000 0.14265558525187 0.62500000000000 32.065 > 65 68 S 0.75000000000000 0.14265558525187 0.62500000000000 32.065 > 65 69 S 0.25000000000000 0.85734441474813 0.37500000000000 32.065 > 69 70 S 0.75000000000000 0.85734441474813 0.37500000000000 32.065 > 69 71 S 0.25000000000000 0.85734441474813 0.87500000000000 32.065 > 69 72 S 0.75000000000000 0.85734441474813 0.87500000000000 32.065 > 69 73 S 0.00000000000000 0.64265558525187 0.12500000000000 32.065 > 65 74 S 0.50000000000000 0.64265558525187 0.12500000000000 32.065 > 65 75 S 0.00000000000000 0.64265558525187 0.62500000000000 32.065 > 65 76 S 0.50000000000000 0.64265558525187 0.62500000000000 32.065 > 65 77 S 0.00000000000000 0.35734441474813 0.37500000000000 32.065 > 69 78 S 0.50000000000000 0.35734441474813 0.37500000000000 32.065 > 69 79 S 0.00000000000000 0.35734441474813 0.87500000000000 32.065 > 69 80 S 0.50000000000000 0.35734441474813 0.87500000000000 32.065 > 69 81 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 81 82 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 81 83 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 81 84 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 81 85 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 85 86 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 85 87 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 85 88 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 85 89 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 81 90 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 81 91 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 81 92 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 81 93 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 85 94 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 85 95 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 85 96 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0138221 0.0000000 0.0000000 0.0000000 2.9720856 0.0000000 0.0000000 0.0000000 2.9511819 -------------------------- Born effective charges -------------------------- 1 O -2.4393947 -0.8923356 0.0000000 -0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 2 O -2.4393947 -0.8923356 0.0000000 -0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 3 O -2.4393947 0.8923356 0.0000000 0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 4 O -2.4393947 0.8923356 0.0000000 0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 5 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 0.7845020 0.0000000 0.6965467 -1.6848384 6 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 -0.7845020 0.0000000 -0.6965467 -1.6848384 7 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 0.7845020 0.0000000 0.6965467 -1.6848384 8 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 -0.7845020 0.0000000 -0.6965467 -1.6848384 9 S 4.2403414 0.0000000 0.0000000 0.0000000 3.6750951 0.0000000 0.0000000 0.0000000 3.2885726 10 S 4.2403414 0.0000000 0.0000000 0.0000000 3.6750951 0.0000000 0.0000000 0.0000000 3.2885726 11 Cd 2.5206065 0.0000000 0.0000000 0.0000000 2.5779985 -0.3141518 0.0000000 0.3248988 2.6152397 12 Cd 2.5206065 0.0000000 0.0000000 0.0000000 2.5779985 0.3141518 0.0000000 -0.3248988 2.6152397 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000013 (yyy) -0.00000013 (yyy) -0.00000013 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:54:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:54:55]------------------------- 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: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.668675065000000 -4.135510790000000 0.000000000000000 b 2.668675065000000 4.135510790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.166312449999999 Atomic positions (fractional): 1 O 0.76355808863287 0.69331108092342 0.75000000000000 15.999 2 O 0.23644191136713 0.30668891907659 0.25000000000000 15.999 3 O 0.69331108092342 0.76355808863287 0.25000000000000 15.999 4 O 0.30668891907658 0.23644191136713 0.75000000000000 15.999 5 O 0.73751521527201 0.26248478472799 0.92279400010882 15.999 6 O 0.26248478472799 0.73751521527201 0.42279400010883 15.999 7 O 0.26248478472799 0.73751521527201 0.07720599989118 15.999 8 O 0.73751521527201 0.26248478472799 0.57720599989118 15.999 9 S 0.35734441474813 0.64265558525187 0.25000000000000 32.065 10 S 0.64265558525187 0.35734441474813 0.75000000000000 32.065 11 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 12 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.674700260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.271021579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.332624899999997 Atomic positions (fractional): 1 O 0.36421729238907 0.96487649614528 0.37500000000000 15.999 > 1 2 O 0.86421729238907 0.96487649614528 0.37500000000000 15.999 > 1 3 O 0.36421729238907 0.96487649614528 0.87500000000000 15.999 > 1 4 O 0.86421729238907 0.96487649614528 0.87500000000000 15.999 > 1 5 O 0.13578270761093 0.03512350385472 0.12500000000000 15.999 > 5 6 O 0.63578270761093 0.03512350385472 0.12500000000000 15.999 > 5 7 O 0.13578270761093 0.03512350385472 0.62500000000000 15.999 > 5 8 O 0.63578270761093 0.03512350385472 0.62500000000000 15.999 > 5 9 O 0.36421729238907 0.03512350385472 0.12500000000000 15.999 > 9 10 O 0.86421729238907 0.03512350385472 0.12500000000000 15.999 > 9 11 O 0.36421729238907 0.03512350385472 0.62500000000000 15.999 > 9 12 O 0.86421729238907 0.03512350385472 0.62500000000000 15.999 > 9 13 O 0.13578270761093 0.96487649614528 0.37500000000000 15.999 > 13 14 O 0.63578270761093 0.96487649614528 0.37500000000000 15.999 > 13 15 O 0.13578270761093 0.96487649614528 0.87500000000000 15.999 > 13 16 O 0.63578270761093 0.96487649614528 0.87500000000000 15.999 > 13 17 O 0.25000000000000 0.76248478472799 0.46139700005441 15.999 > 17 18 O 0.75000000000000 0.76248478472799 0.46139700005441 15.999 > 17 19 O 0.25000000000000 0.76248478472799 0.96139700005441 15.999 > 17 20 O 0.75000000000000 0.76248478472799 0.96139700005441 15.999 > 17 21 O 0.25000000000000 0.23751521527201 0.21139700005441 15.999 > 21 22 O 0.75000000000000 0.23751521527201 0.21139700005441 15.999 > 21 23 O 0.25000000000000 0.23751521527201 0.71139700005441 15.999 > 21 24 O 0.75000000000000 0.23751521527201 0.71139700005441 15.999 > 21 25 O 0.25000000000000 0.23751521527201 0.03860299994559 15.999 > 25 26 O 0.75000000000000 0.23751521527201 0.03860299994559 15.999 > 25 27 O 0.25000000000000 0.23751521527201 0.53860299994559 15.999 > 25 28 O 0.75000000000000 0.23751521527201 0.53860299994559 15.999 > 25 29 O 0.25000000000000 0.76248478472799 0.28860299994559 15.999 > 29 30 O 0.75000000000000 0.76248478472799 0.28860299994559 15.999 > 29 31 O 0.25000000000000 0.76248478472799 0.78860299994559 15.999 > 29 32 O 0.75000000000000 0.76248478472799 0.78860299994559 15.999 > 29 33 O 0.11421729238907 0.46487649614527 0.37500000000000 15.999 > 1 34 O 0.61421729238907 0.46487649614527 0.37500000000000 15.999 > 1 35 O 0.11421729238907 0.46487649614527 0.87500000000000 15.999 > 1 36 O 0.61421729238907 0.46487649614527 0.87500000000000 15.999 > 1 37 O 0.38578270761093 0.53512350385472 0.12500000000000 15.999 > 5 38 O 0.88578270761093 0.53512350385472 0.12500000000000 15.999 > 5 39 O 0.38578270761093 0.53512350385472 0.62500000000000 15.999 > 5 40 O 0.88578270761093 0.53512350385472 0.62500000000000 15.999 > 5 41 O 0.11421729238907 0.53512350385472 0.12500000000000 15.999 > 9 42 O 0.61421729238907 0.53512350385472 0.12500000000000 15.999 > 9 43 O 0.11421729238907 0.53512350385472 0.62500000000000 15.999 > 9 44 O 0.61421729238907 0.53512350385472 0.62500000000000 15.999 > 9 45 O 0.38578270761093 0.46487649614527 0.37500000000000 15.999 > 13 46 O 0.88578270761093 0.46487649614527 0.37500000000000 15.999 > 13 47 O 0.38578270761093 0.46487649614527 0.87500000000000 15.999 > 13 48 O 0.88578270761093 0.46487649614527 0.87500000000000 15.999 > 13 49 O 0.00000000000000 0.26248478472799 0.46139700005441 15.999 > 17 50 O 0.50000000000000 0.26248478472799 0.46139700005441 15.999 > 17 51 O 0.00000000000000 0.26248478472799 0.96139700005441 15.999 > 17 52 O 0.50000000000000 0.26248478472799 0.96139700005441 15.999 > 17 53 O 0.00000000000000 0.73751521527201 0.21139700005441 15.999 > 21 54 O 0.50000000000000 0.73751521527201 0.21139700005441 15.999 > 21 55 O 0.00000000000000 0.73751521527201 0.71139700005441 15.999 > 21 56 O 0.50000000000000 0.73751521527201 0.71139700005441 15.999 > 21 57 O 0.00000000000000 0.73751521527201 0.03860299994559 15.999 > 25 58 O 0.50000000000000 0.73751521527201 0.03860299994559 15.999 > 25 59 O 0.00000000000000 0.73751521527201 0.53860299994559 15.999 > 25 60 O 0.50000000000000 0.73751521527201 0.53860299994559 15.999 > 25 61 O 0.00000000000000 0.26248478472799 0.28860299994559 15.999 > 29 62 O 0.50000000000000 0.26248478472799 0.28860299994559 15.999 > 29 63 O 0.00000000000000 0.26248478472799 0.78860299994559 15.999 > 29 64 O 0.50000000000000 0.26248478472799 0.78860299994559 15.999 > 29 65 S 0.25000000000000 0.14265558525187 0.12500000000000 32.065 > 65 66 S 0.75000000000000 0.14265558525187 0.12500000000000 32.065 > 65 67 S 0.25000000000000 0.14265558525187 0.62500000000000 32.065 > 65 68 S 0.75000000000000 0.14265558525187 0.62500000000000 32.065 > 65 69 S 0.25000000000000 0.85734441474813 0.37500000000000 32.065 > 69 70 S 0.75000000000000 0.85734441474813 0.37500000000000 32.065 > 69 71 S 0.25000000000000 0.85734441474813 0.87500000000000 32.065 > 69 72 S 0.75000000000000 0.85734441474813 0.87500000000000 32.065 > 69 73 S 0.00000000000000 0.64265558525187 0.12500000000000 32.065 > 65 74 S 0.50000000000000 0.64265558525187 0.12500000000000 32.065 > 65 75 S 0.00000000000000 0.64265558525187 0.62500000000000 32.065 > 65 76 S 0.50000000000000 0.64265558525187 0.62500000000000 32.065 > 65 77 S 0.00000000000000 0.35734441474813 0.37500000000000 32.065 > 69 78 S 0.50000000000000 0.35734441474813 0.37500000000000 32.065 > 69 79 S 0.00000000000000 0.35734441474813 0.87500000000000 32.065 > 69 80 S 0.50000000000000 0.35734441474813 0.87500000000000 32.065 > 69 81 Cd 0.00000000000000 0.00000000000000 0.25000000000000 112.411 > 81 82 Cd 0.50000000000000 0.00000000000000 0.25000000000000 112.411 > 81 83 Cd 0.00000000000000 0.00000000000000 0.75000000000000 112.411 > 81 84 Cd 0.50000000000000 0.00000000000000 0.75000000000000 112.411 > 81 85 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 85 86 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 85 87 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 85 88 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 85 89 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 81 90 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 81 91 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 81 92 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 81 93 Cd 0.25000000000000 0.50000000000000 0.00000000000000 112.411 > 85 94 Cd 0.75000000000000 0.50000000000000 0.00000000000000 112.411 > 85 95 Cd 0.25000000000000 0.50000000000000 0.50000000000000 112.411 > 85 96 Cd 0.75000000000000 0.50000000000000 0.50000000000000 112.411 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0138221 0.0000000 0.0000000 0.0000000 2.9720856 0.0000000 0.0000000 0.0000000 2.9511819 -------------------------- Born effective charges -------------------------- 1 O -2.4393947 -0.8923356 0.0000000 -0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 2 O -2.4393947 -0.8923356 0.0000000 -0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 3 O -2.4393947 0.8923356 0.0000000 0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 4 O -2.4393947 0.8923356 0.0000000 0.8938329 -1.3784084 0.0000000 0.0000000 0.0000000 -1.2670677 5 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 0.7845020 0.0000000 0.6965467 -1.6848384 6 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 -0.7845020 0.0000000 -0.6965467 -1.6848384 7 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 0.7845020 0.0000000 0.6965467 -1.6848384 8 O -0.9410793 0.0000000 0.0000000 0.0000000 -1.7481384 -0.7845020 0.0000000 -0.6965467 -1.6848384 9 S 4.2403414 0.0000000 0.0000000 0.0000000 3.6750951 0.0000000 0.0000000 0.0000000 3.2885726 10 S 4.2403414 0.0000000 0.0000000 0.0000000 3.6750951 0.0000000 0.0000000 0.0000000 3.2885726 11 Cd 2.5206065 0.0000000 0.0000000 0.0000000 2.5779985 -0.3141518 0.0000000 0.3248988 2.6152397 12 Cd 2.5206065 0.0000000 0.0000000 0.0000000 2.5779985 0.3141518 0.0000000 -0.3248988 2.6152397 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (yyy) -0.00000013 (yyy) -0.00000013 (yyy) 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 ... [ 11 11 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: 0.77, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.365 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 13.581 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 16.718 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.880 ( 0.000 0.000 0.000) 0.000 16.938 ( 0.000 0.000 0.000) 0.000 18.842 ( 0.000 0.000 0.000) 0.000 19.299 ( 0.000 0.000 0.000) 0.000 27.793 ( 0.000 0.000 0.000) 0.000 28.059 ( 0.000 0.000 0.000) 0.000 28.189 ( 0.000 0.000 0.000) 0.000 28.558 ( 0.000 0.000 0.000) 0.000 31.445 ( 0.000 0.000 0.000) 0.000 31.818 ( 0.000 0.000 0.000) 0.000 33.733 ( 0.000 0.000 0.000) 0.000 35.352 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 15.011 -15.967 0.000) 21.915 0.593 ( 25.694 -11.405 0.000) 28.111 0.982 ( 52.043 -7.535 0.000) 52.586 1.688 ( 3.909 -1.543 0.000) 4.202 1.986 ( 30.479 13.126 0.000) 33.185 2.521 ( -0.392 1.434 0.000) 1.487 3.540 ( -2.493 -3.925 0.000) 4.650 3.579 ( 8.746 -1.748 0.000) 8.919 3.937 ( -8.318 0.704 0.000) 8.347 4.560 ( 1.646 -4.998 0.000) 5.262 4.766 ( -14.588 -5.462 0.000) 15.577 5.176 ( 20.618 9.735 0.000) 22.801 5.542 ( 4.600 6.225 0.000) 7.740 5.924 ( 20.576 25.349 0.000) 32.649 6.363 ( 1.984 -2.211 0.000) 2.971 7.150 ( -10.849 -10.978 0.000) 15.434 8.343 ( -6.194 6.179 0.000) 8.749 8.827 ( -8.046 3.988 0.000) 8.981 12.318 ( -0.865 -0.488 0.000) 0.993 12.802 ( -4.856 -3.694 0.000) 6.101 13.593 ( 2.639 1.659 0.000) 3.118 13.891 ( 3.665 -1.741 0.000) 4.058 16.719 ( -0.185 -0.485 0.000) 0.519 16.784 ( 2.642 5.787 0.000) 6.362 16.946 ( 0.481 -0.220 0.000) 0.528 17.031 ( -5.343 -10.571 0.000) 11.844 18.843 ( -0.135 -0.312 0.000) 0.340 19.293 ( -0.957 -0.440 0.000) 1.053 27.782 ( -2.891 -2.912 0.000) 4.103 28.156 ( 1.880 1.090 0.000) 2.174 28.232 ( 9.091 -4.171 0.000) 10.002 30.490 ( 68.552 114.156 0.000) 133.158 31.488 ( 3.016 -2.532 0.000) 3.938 33.734 ( -46.332 -72.861 0.000) 86.344 33.760 ( 2.599 -0.821 0.000) 2.726 35.310 ( -3.959 1.371 0.000) 4.189 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 14.086 -12.998 0.000) 19.167 1.091 ( 21.669 -3.982 0.000) 22.032 1.811 ( 6.286 -4.432 0.000) 7.691 1.923 ( 46.760 -9.772 0.000) 47.770 2.472 ( 35.129 3.915 0.000) 35.347 2.490 ( -0.606 2.451 0.000) 2.525 3.553 ( -3.093 -7.974 0.000) 8.552 3.725 ( -14.410 1.413 0.000) 14.479 3.744 ( 6.152 -1.861 0.000) 6.427 4.501 ( -15.389 -3.579 0.000) 15.800 4.713 ( 2.289 -5.182 0.000) 5.665 5.454 ( 23.781 8.939 0.000) 25.406 5.572 ( 9.087 9.144 0.000) 12.891 6.066 ( 14.376 2.380 0.000) 14.572 6.431 ( 2.366 -2.683 0.000) 3.577 7.055 ( -8.843 -2.444 0.000) 9.175 8.091 ( -11.696 11.497 0.000) 16.400 8.588 ( -12.639 5.859 0.000) 13.931 12.306 ( -1.410 -0.979 0.000) 1.717 12.743 ( -4.355 -0.134 0.000) 4.358 13.637 ( 4.714 1.917 0.000) 5.089 13.990 ( 5.124 -1.738 0.000) 5.411 16.723 ( -0.040 -0.555 0.000) 0.556 16.769 ( 1.006 2.173 0.000) 2.395 16.954 ( 0.184 -0.283 0.000) 0.337 17.070 ( -1.475 -6.831 0.000) 6.988 18.844 ( -0.277 -0.496 0.000) 0.568 19.278 ( -1.502 -0.735 0.000) 1.672 27.764 ( -2.243 -1.874 0.000) 2.923 28.130 ( -3.901 -1.780 0.000) 4.288 28.543 ( 21.060 -1.327 0.000) 21.102 30.384 ( 27.235 52.683 0.000) 59.307 31.585 ( 2.988 -4.897 0.000) 5.736 33.751 ( -20.403 -33.455 0.000) 39.186 33.839 ( 5.126 -1.646 0.000) 5.383 35.192 ( -7.263 2.465 0.000) 7.670 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 12.441 -9.585 0.000) 15.705 1.394 ( 13.892 4.108 0.000) 14.487 1.966 ( 5.312 -3.406 0.000) 6.310 2.453 ( -0.504 2.365 0.000) 2.418 2.768 ( 38.223 -11.012 0.000) 39.778 3.024 ( 32.641 3.458 0.000) 32.823 3.453 ( -15.240 -0.133 0.000) 15.240 3.632 ( -0.208 -12.244 0.000) 12.246 3.789 ( -1.688 0.722 0.000) 1.836 4.270 ( -15.029 -4.004 0.000) 15.553 4.812 ( 2.980 -3.506 0.000) 4.601 5.650 ( 12.062 9.706 0.000) 15.482 5.770 ( 19.928 2.311 0.000) 20.062 6.343 ( 16.589 -2.729 0.000) 16.812 6.486 ( 0.588 -1.884 0.000) 1.974 6.906 ( -8.971 1.623 0.000) 9.116 7.711 ( -15.290 14.118 0.000) 20.812 8.306 ( -12.299 5.311 0.000) 13.397 12.294 ( -1.429 -1.398 0.000) 1.999 12.663 ( -4.160 1.189 0.000) 4.327 13.705 ( 5.187 1.513 0.000) 5.403 14.089 ( 4.581 -0.931 0.000) 4.675 16.733 ( 0.734 -0.404 0.000) 0.838 16.774 ( 1.084 0.198 0.000) 1.102 16.957 ( -0.301 -0.137 0.000) 0.331 17.125 ( 0.006 -5.301 0.000) 5.301 18.844 ( -0.373 -0.499 0.000) 0.623 19.261 ( -1.481 -0.791 0.000) 1.679 27.747 ( -1.141 -0.391 0.000) 1.206 28.072 ( -5.365 -2.336 0.000) 5.851 28.928 ( 21.631 -0.728 0.000) 21.644 30.274 ( 13.177 29.764 0.000) 32.550 31.685 ( 1.673 -5.847 0.000) 6.082 33.772 ( -10.754 -18.703 0.000) 21.575 33.969 ( 7.440 -2.423 0.000) 7.824 35.016 ( -9.563 3.170 0.000) 10.075 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 3.223 6.310 0.000) 7.086 1.480 ( 8.587 -5.527 0.000) 10.212 2.039 ( 3.445 2.723 0.000) 4.391 2.423 ( -0.258 1.719 0.000) 1.738 3.246 ( -10.741 -3.056 0.000) 11.168 3.433 ( 26.275 -7.881 0.000) 27.432 3.446 ( 18.229 2.841 0.000) 18.449 3.719 ( 0.660 4.676 0.000) 4.722 3.817 ( 3.967 -14.138 0.000) 14.684 4.107 ( -10.955 -6.773 0.000) 12.880 4.886 ( 1.661 -2.690 0.000) 3.161 5.762 ( 12.926 8.906 0.000) 15.697 6.056 ( 12.292 -3.432 0.000) 12.762 6.471 ( -4.386 -0.240 0.000) 4.393 6.637 ( 13.508 -0.835 0.000) 13.534 6.727 ( -7.527 3.621 0.000) 8.353 7.315 ( -12.814 11.202 0.000) 17.020 8.075 ( -8.630 3.558 0.000) 9.335 12.290 ( -0.949 -1.465 0.000) 1.745 12.584 ( -3.208 1.461 0.000) 3.525 13.771 ( 3.927 0.937 0.000) 4.038 14.161 ( 2.967 -0.260 0.000) 2.979 16.754 ( 1.122 -0.226 0.000) 1.144 16.802 ( 1.744 -0.966 0.000) 1.993 16.942 ( -1.304 0.375 0.000) 1.357 17.181 ( 0.592 -3.586 0.000) 3.635 18.842 ( -0.336 -0.352 0.000) 0.487 19.247 ( -1.024 -0.597 0.000) 1.186 27.736 ( -0.101 0.412 0.000) 0.424 28.005 ( -4.958 -1.870 0.000) 5.299 29.262 ( 16.031 -0.413 0.000) 16.036 30.183 ( 5.826 16.028 0.000) 17.054 31.765 ( 0.651 -4.738 0.000) 4.783 33.793 ( -5.361 -9.867 0.000) 11.229 34.143 ( 9.338 -3.056 0.000) 9.825 34.804 ( -10.825 3.530 0.000) 11.386 ======================= Grid point 5 (6/144) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -1.503 3.330 0.000) 3.653 1.619 ( 3.018 -1.693 0.000) 3.461 2.054 ( 1.822 2.122 0.000) 2.797 2.409 ( 0.209 0.796 0.000) 0.822 3.150 ( -3.977 -1.945 0.000) 4.427 3.516 ( -1.682 0.051 0.000) 1.683 3.779 ( 16.161 10.572 0.000) 19.312 3.814 ( 1.284 -7.845 0.000) 7.949 4.010 ( 2.735 -6.958 0.000) 7.476 4.048 ( -3.665 -5.329 0.000) 6.468 4.926 ( 0.467 -1.192 0.000) 1.280 5.880 ( 8.419 4.578 0.000) 9.583 6.250 ( 5.332 -3.467 0.000) 6.360 6.352 ( -6.773 0.508 0.000) 6.792 6.555 ( -4.949 3.437 0.000) 6.025 6.826 ( 5.595 -0.154 0.000) 5.597 7.087 ( -3.951 3.594 0.000) 5.341 7.946 ( -3.115 1.243 0.000) 3.354 12.292 ( -0.290 -0.705 0.000) 0.762 12.531 ( -1.257 0.709 0.000) 1.443 13.811 ( 1.453 0.316 0.000) 1.487 14.196 ( 1.006 -0.017 0.000) 1.006 16.771 ( 0.477 -0.090 0.000) 0.486 16.851 ( 2.348 -1.226 0.000) 2.649 16.905 ( -2.154 0.929 0.000) 2.345 17.217 ( 0.327 -1.289 0.000) 1.330 18.841 ( -0.137 -0.125 0.000) 0.185 19.239 ( -0.359 -0.221 0.000) 0.421 27.734 ( 0.240 0.314 0.000) 0.395 27.956 ( -2.166 -0.741 0.000) 2.289 29.459 ( 6.085 -0.246 0.000) 6.090 30.125 ( 1.404 5.239 0.000) 5.424 31.808 ( 0.153 -1.821 0.000) 1.828 33.805 ( -1.630 -3.105 0.000) 3.506 34.350 ( 10.619 -3.463 0.000) 11.169 34.576 ( -11.145 3.620 0.000) 11.718 ======================= Grid point 12 (7/144) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 22.500 -0.000 0.000) 22.500 1.045 ( 30.023 -0.000 0.000) 30.023 1.757 ( 4.826 -0.000 0.000) 4.826 1.802 ( 47.198 -0.000 0.000) 47.198 2.519 ( -0.711 0.000 0.000) 0.711 2.551 ( 32.390 -0.000 0.000) 32.390 3.462 ( -3.720 0.000 0.000) 3.720 3.719 ( 7.263 -0.000 0.000) 7.263 3.743 ( -14.575 0.000 0.000) 14.575 4.487 ( -14.720 0.000 0.000) 14.720 4.620 ( 5.990 -0.000 0.000) 5.990 5.596 ( 22.800 -0.000 0.000) 22.800 5.680 ( 7.630 -0.000 0.000) 7.630 6.182 ( 2.852 -0.000 0.000) 2.852 6.395 ( 2.957 -0.000 0.000) 2.957 6.938 ( -6.659 0.000 0.000) 6.659 8.224 ( -11.549 0.000 0.000) 11.549 8.650 ( -14.705 0.000 0.000) 14.705 12.309 ( -0.719 0.000 0.000) 0.719 12.732 ( -2.798 0.000 0.000) 2.798 13.659 ( 4.006 -0.000 0.000) 4.006 13.969 ( 6.097 -0.000 0.000) 6.097 16.716 ( 0.218 -0.000 0.000) 0.218 16.854 ( -1.033 0.000 0.000) 1.033 16.912 ( 0.759 -0.000 0.000) 0.759 16.953 ( 0.239 -0.000 0.000) 0.239 18.839 ( -0.088 0.000 0.000) 0.088 19.268 ( -1.601 0.000 0.000) 1.601 27.740 ( -0.606 0.000 0.000) 0.606 28.107 ( -4.500 0.000 0.000) 4.500 28.528 ( 22.009 -0.000 0.000) 22.009 31.239 ( -10.486 0.000 0.000) 10.486 31.796 ( -0.751 0.000 0.000) 0.751 32.934 ( 8.065 -0.000 0.000) 8.065 33.821 ( 5.074 -0.000 0.000) 5.074 35.220 ( -7.366 0.000 0.000) 7.366 ======================= Grid point 13 (8/144) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 22.469 -0.407 0.000) 22.473 1.510 ( 24.364 4.899 0.000) 24.852 1.855 ( 4.575 -4.899 0.000) 6.703 2.498 ( -0.870 1.312 0.000) 1.574 2.569 ( 39.128 -5.406 0.000) 39.500 3.114 ( 34.231 3.309 0.000) 34.390 3.432 ( -2.667 -4.758 0.000) 5.455 3.461 ( -16.838 0.124 0.000) 16.838 3.789 ( 0.215 -0.731 0.000) 0.762 4.235 ( -14.114 0.107 0.000) 14.115 4.744 ( 5.910 -2.101 0.000) 6.273 5.807 ( 9.908 3.959 0.000) 10.670 5.891 ( 14.562 6.332 0.000) 15.879 6.313 ( 15.461 -0.035 0.000) 15.461 6.447 ( 1.740 -1.210 0.000) 2.120 6.839 ( -9.581 -5.384 0.000) 10.990 7.955 ( -15.422 6.757 0.000) 16.837 8.362 ( -17.440 0.437 0.000) 17.445 12.292 ( -0.614 0.603 0.000) 0.861 12.679 ( -3.406 0.242 0.000) 3.415 13.728 ( 4.212 0.537 0.000) 4.246 14.077 ( 5.894 -0.232 0.000) 5.899 16.729 ( 1.236 -0.083 0.000) 1.239 16.812 ( 0.287 3.271 0.000) 3.284 16.954 ( -0.142 -0.119 0.000) 0.186 16.980 ( 0.630 -6.655 0.000) 6.684 18.839 ( 0.093 -0.016 0.000) 0.094 19.242 ( -1.705 -0.591 0.000) 1.805 27.741 ( 0.222 -0.166 0.000) 0.277 28.027 ( -5.562 -1.295 0.000) 5.711 28.918 ( 22.404 -0.218 0.000) 22.405 30.932 ( -7.824 20.451 0.000) 21.897 31.713 ( 4.934 9.705 0.000) 10.887 33.237 ( 1.508 -24.486 0.000) 24.532 33.932 ( 7.333 -0.899 0.000) 7.388 35.066 ( -9.764 1.215 0.000) 9.839 ======================= Grid point 14 (9/144) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 20.406 3.480 0.000) 20.701 1.667 ( 5.268 9.853 0.000) 11.173 2.040 ( 8.596 -2.642 0.000) 8.993 2.464 ( -1.102 1.725 0.000) 2.047 3.197 ( -12.200 -1.340 0.000) 12.273 3.241 ( 30.410 -8.114 0.000) 31.474 3.522 ( 2.701 -11.146 0.000) 11.469 3.535 ( 15.477 6.173 0.000) 16.663 3.788 ( 2.687 -0.278 0.000) 2.701 4.040 ( -7.193 -0.572 0.000) 7.216 4.841 ( 3.428 -0.834 0.000) 3.528 5.931 ( 10.828 5.760 0.000) 12.265 6.033 ( 9.328 1.648 0.000) 9.472 6.457 ( -2.691 -0.797 0.000) 2.806 6.611 ( 15.250 -1.093 0.000) 15.289 6.721 ( -10.110 -3.830 0.000) 10.811 7.574 ( -16.239 11.297 0.000) 19.782 8.087 ( -15.315 -2.210 0.000) 15.473 12.280 ( 0.002 0.427 0.000) 0.427 12.616 ( -2.826 1.208 0.000) 3.074 13.785 ( 2.928 0.374 0.000) 2.952 14.163 ( 4.047 0.314 0.000) 4.059 16.756 ( 1.869 0.309 0.000) 1.894 16.801 ( 1.326 1.129 0.000) 1.742 16.946 ( -1.060 -0.176 0.000) 1.075 17.068 ( 1.337 -5.995 0.000) 6.142 18.842 ( 0.368 0.233 0.000) 0.436 19.225 ( -1.338 -1.082 0.000) 1.721 27.747 ( 0.603 0.482 0.000) 0.772 27.952 ( -5.243 -2.340 0.000) 5.741 29.258 ( 16.526 0.025 0.000) 16.526 30.600 ( -5.517 18.498 0.000) 19.303 31.741 ( 5.708 3.182 0.000) 6.535 33.478 ( 0.417 -17.158 0.000) 17.163 34.088 ( 9.210 -1.808 0.000) 9.386 34.868 ( -11.049 2.155 0.000) 11.258 ======================= Grid point 15 (10/144) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -3.121 8.833 0.000) 9.368 1.725 ( 15.782 9.151 0.000) 18.243 2.104 ( -0.978 2.274 0.000) 2.475 2.423 ( -2.118 0.473 0.000) 2.170 3.117 ( 0.918 -0.912 0.000) 1.294 3.542 ( -1.455 2.376 0.000) 2.786 3.686 ( 4.193 -2.981 0.000) 5.145 3.758 ( 7.303 -14.035 0.000) 15.822 3.852 ( 6.873 -6.702 0.000) 9.600 4.067 ( 10.610 8.139 0.000) 13.372 4.894 ( 2.275 -0.940 0.000) 2.462 6.027 ( 6.692 7.127 0.000) 9.776 6.179 ( 6.971 -2.178 0.000) 7.303 6.356 ( -8.332 -0.078 0.000) 8.333 6.587 ( -8.351 -1.173 0.000) 8.433 6.800 ( 4.333 -1.750 0.000) 4.673 7.225 ( -9.816 8.726 0.000) 13.134 7.905 ( -10.205 -4.856 0.000) 11.301 12.286 ( 1.065 0.214 0.000) 1.086 12.563 ( -1.185 1.825 0.000) 2.176 13.813 ( 0.446 -0.068 0.000) 0.451 14.206 ( 1.774 0.798 0.000) 1.945 16.775 ( 0.836 0.497 0.000) 0.973 16.834 ( 2.821 -0.123 0.000) 2.824 16.920 ( -1.827 0.285 0.000) 1.849 17.150 ( 1.281 -4.450 0.000) 4.631 18.847 ( 0.698 0.594 0.000) 0.917 19.221 ( -0.721 -1.283 0.000) 1.472 27.747 ( 0.124 0.839 0.000) 0.848 27.912 ( -2.410 -2.814 0.000) 3.705 29.457 ( 6.389 0.069 0.000) 6.389 30.335 ( -5.944 12.184 0.000) 13.557 31.817 ( 6.567 2.771 0.000) 7.128 33.645 ( 1.595 -10.721 0.000) 10.839 34.282 ( 10.492 -2.620 0.000) 10.814 34.649 ( -11.342 2.815 0.000) 11.686 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -1.017 4.922 0.000) 5.026 1.814 ( 9.981 14.361 0.000) 17.489 2.013 ( -7.696 -1.705 0.000) 7.883 2.393 ( -1.072 -0.416 0.000) 1.150 3.200 ( 8.634 2.661 0.000) 9.035 3.531 ( 2.646 1.077 0.000) 2.857 3.594 ( -12.342 -4.410 0.000) 13.106 3.938 ( -9.920 -0.586 0.000) 9.938 4.007 ( 5.990 -7.166 0.000) 9.340 4.193 ( 16.362 9.649 0.000) 18.995 4.939 ( 2.129 0.341 0.000) 2.156 5.879 ( -14.650 4.455 0.000) 15.313 6.290 ( 1.924 -0.482 0.000) 1.983 6.333 ( 5.381 -1.143 0.000) 5.502 6.482 ( -4.283 -2.307 0.000) 4.865 6.796 ( -7.142 -2.778 0.000) 7.663 7.069 ( -2.002 1.963 0.000) 2.804 7.853 ( -3.618 -7.079 0.000) 7.950 12.309 ( 2.196 0.773 0.000) 2.328 12.542 ( 1.003 1.571 0.000) 1.864 13.800 ( -2.491 -0.650 0.000) 2.574 14.208 ( -0.268 1.012 0.000) 1.047 16.777 ( 0.059 0.460 0.000) 0.463 16.871 ( -1.249 0.303 0.000) 1.285 16.894 ( 1.845 0.220 0.000) 1.858 17.203 ( 0.388 -2.403 0.000) 2.434 18.853 ( 1.001 0.937 0.000) 1.371 19.228 ( -0.038 -1.172 0.000) 1.173 27.734 ( -0.530 0.364 0.000) 0.643 27.937 ( 1.909 -2.248 0.000) 2.949 29.464 ( -5.470 0.182 0.000) 5.473 30.128 ( -7.588 4.717 0.000) 8.935 31.890 ( 6.939 5.478 0.000) 8.841 33.777 ( 3.815 -5.252 0.000) 6.492 34.426 ( -10.781 3.214 0.000) 11.250 34.498 ( 10.982 -3.258 0.000) 11.455 ======================= Grid point 17 (12/144) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.364 1.067 0.000) 1.127 1.758 ( 4.907 18.562 0.000) 19.200 1.931 ( -5.851 -6.620 0.000) 8.835 2.397 ( 0.796 -0.488 0.000) 0.934 3.328 ( 10.762 4.347 0.000) 11.607 3.370 ( -20.073 -3.268 0.000) 20.337 3.536 ( -13.938 1.034 0.000) 13.976 3.696 ( -3.019 2.534 0.000) 3.942 4.067 ( 0.524 6.644 0.000) 6.664 4.315 ( 12.009 11.056 0.000) 16.323 4.945 ( 0.491 2.870 0.000) 2.911 5.590 ( -17.614 -5.240 0.000) 18.377 6.154 ( -13.520 4.867 0.000) 14.369 6.461 ( 5.751 -1.219 0.000) 5.879 6.560 ( 2.634 -8.844 0.000) 9.228 6.652 ( -10.620 -1.607 0.000) 10.740 7.114 ( 4.931 -6.586 0.000) 8.227 7.934 ( 2.612 -8.920 0.000) 9.295 12.337 ( 3.035 2.441 0.000) 3.895 12.566 ( 3.028 0.221 0.000) 3.036 13.745 ( -5.013 -1.308 0.000) 5.181 14.177 ( -1.899 1.198 0.000) 2.246 16.766 ( -0.457 0.782 0.000) 0.906 16.826 ( -2.167 0.905 0.000) 2.349 16.936 ( 2.091 -0.071 0.000) 2.092 17.215 ( -0.700 -0.415 0.000) 0.814 18.860 ( 1.149 1.207 0.000) 1.666 19.244 ( 0.610 -0.849 0.000) 1.045 27.731 ( 0.636 0.045 0.000) 0.638 28.014 ( 4.489 -1.216 0.000) 4.651 29.275 ( -15.449 0.733 0.000) 15.466 29.965 ( -11.448 -3.845 0.000) 12.077 31.923 ( 6.221 9.229 0.000) 11.130 33.897 ( 7.012 -0.054 0.000) 7.012 34.216 ( -9.511 3.345 0.000) 10.083 34.722 ( 10.611 -3.708 0.000) 11.240 ======================= Grid point 18 (13/144) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -5.312 1.693 0.000) 5.575 1.582 ( 1.388 22.695 0.000) 22.737 1.953 ( -1.482 -5.091 0.000) 5.302 2.417 ( 0.427 -0.477 0.000) 0.640 2.897 ( -39.380 -0.291 0.000) 39.381 3.080 ( -24.163 8.518 0.000) 25.620 3.481 ( 12.243 2.597 0.000) 12.515 3.781 ( 6.111 0.358 0.000) 6.121 3.931 ( -0.873 13.841 0.000) 13.868 4.410 ( 12.775 8.178 0.000) 15.168 4.898 ( -0.542 4.885 0.000) 4.915 5.407 ( -15.219 -11.612 0.000) 19.143 5.779 ( -24.467 1.983 0.000) 24.548 6.420 ( -12.657 3.569 0.000) 13.150 6.517 ( 0.668 0.755 0.000) 1.008 6.764 ( 5.315 -10.216 0.000) 11.516 7.379 ( 10.733 -15.267 0.000) 18.662 8.128 ( 7.203 -10.502 0.000) 12.735 12.358 ( 3.629 4.054 0.000) 5.441 12.635 ( 4.213 -1.073 0.000) 4.347 13.665 ( -6.315 -1.995 0.000) 6.623 14.119 ( -3.053 1.696 0.000) 3.493 16.749 ( -0.348 0.956 0.000) 1.018 16.784 ( -1.711 0.677 0.000) 1.840 16.961 ( 0.950 0.277 0.000) 0.990 17.194 ( -1.176 0.998 0.000) 1.542 18.864 ( 1.048 1.380 0.000) 1.733 19.266 ( 1.101 -0.425 0.000) 1.180 27.757 ( 2.664 0.487 0.000) 2.708 28.104 ( 4.866 0.052 0.000) 4.867 28.950 ( -20.625 1.224 0.000) 20.662 29.804 ( -18.720 -12.749 0.000) 22.649 31.895 ( 4.479 12.403 0.000) 13.187 34.024 ( 11.272 4.966 0.000) 12.317 34.033 ( -7.612 3.194 0.000) 8.255 34.935 ( 9.298 -3.957 0.000) 10.104 ======================= Grid point 19 (14/144) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -7.273 6.828 0.000) 9.976 1.319 ( 0.202 27.007 0.000) 27.008 1.910 ( -5.622 3.079 0.000) 6.410 2.108 ( -48.347 4.645 0.000) 48.570 2.429 ( -0.313 -2.475 0.000) 2.495 2.536 ( -27.245 10.981 0.000) 29.375 3.695 ( 13.443 -0.815 0.000) 13.467 3.788 ( 1.662 12.724 0.000) 12.832 3.797 ( -3.134 2.903 0.000) 4.272 4.591 ( 14.671 2.069 0.000) 14.816 4.836 ( 2.061 8.080 0.000) 8.339 5.314 ( -12.084 -13.675 0.000) 18.249 5.342 ( -24.838 -1.677 0.000) 24.895 6.123 ( -15.787 6.271 0.000) 16.987 6.488 ( -1.565 2.163 0.000) 2.669 6.961 ( 4.679 -9.642 0.000) 10.717 7.754 ( 10.018 -18.344 0.000) 20.901 8.393 ( 9.038 -11.499 0.000) 14.626 12.373 ( 3.777 4.811 0.000) 6.116 12.726 ( 4.685 -1.474 0.000) 4.911 13.584 ( -5.809 -2.658 0.000) 6.389 14.039 ( -3.447 2.576 0.000) 4.303 16.734 ( -0.639 0.358 0.000) 0.733 16.756 ( -0.650 0.493 0.000) 0.816 16.964 ( 0.075 0.583 0.000) 0.587 17.161 ( -0.676 1.700 0.000) 1.829 18.864 ( 0.723 1.397 0.000) 1.573 19.289 ( 1.235 0.018 0.000) 1.235 27.808 ( 4.650 1.860 0.000) 5.008 28.164 ( 2.351 0.881 0.000) 2.511 28.583 ( -18.727 2.199 0.000) 18.856 29.585 ( -29.883 -21.263 0.000) 36.676 31.806 ( 2.237 13.917 0.000) 14.095 33.890 ( -5.258 2.794 0.000) 5.954 34.182 ( 16.682 9.018 0.000) 18.963 35.119 ( 7.028 -3.939 0.000) 8.057 ======================= Grid point 20 (15/144) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -8.245 17.775 0.000) 19.594 0.997 ( -3.086 29.171 0.000) 29.334 1.209 ( -43.796 11.236 0.000) 45.215 1.754 ( -5.456 4.221 0.000) 6.898 1.944 ( -26.612 10.808 0.000) 28.723 2.464 ( 0.178 -3.536 0.000) 3.541 3.642 ( -8.399 3.823 0.000) 9.228 3.698 ( 1.996 9.988 0.000) 10.185 3.911 ( 8.933 -1.415 0.000) 9.044 4.745 ( -0.100 1.400 0.000) 1.404 4.869 ( 15.914 10.563 0.000) 19.100 5.019 ( -12.385 -1.951 0.000) 12.538 5.305 ( -6.636 -14.245 0.000) 15.715 5.745 ( -22.657 3.331 0.000) 22.901 6.430 ( -1.483 3.171 0.000) 3.501 7.131 ( 3.671 -8.582 0.000) 9.334 8.086 ( 5.711 -16.585 0.000) 17.540 8.658 ( 6.560 -11.050 0.000) 12.851 12.379 ( 2.958 4.696 0.000) 5.550 12.823 ( 4.813 -1.264 0.000) 4.976 13.536 ( -3.398 -3.159 0.000) 4.640 13.952 ( -2.559 3.420 0.000) 4.271 16.717 ( -1.649 -0.880 0.000) 1.869 16.748 ( 0.294 0.887 0.000) 0.934 16.955 ( -0.181 0.619 0.000) 0.645 17.142 ( 0.847 1.450 0.000) 1.680 18.859 ( 0.318 1.192 0.000) 1.234 19.305 ( 0.845 0.392 0.000) 0.932 27.854 ( 2.416 3.044 0.000) 3.886 28.153 ( -1.085 0.481 0.000) 1.187 28.338 ( -3.909 4.689 0.000) 6.105 29.199 ( -46.483 -23.543 0.000) 52.105 31.677 ( 0.476 13.063 0.000) 13.072 33.794 ( -2.658 2.224 0.000) 3.466 34.409 ( 21.685 8.761 0.000) 23.388 35.255 ( 3.845 -3.526 0.000) 5.216 ======================= Grid point 21 (16/144) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( -0.000 17.367 0.000) 17.367 0.596 ( -0.000 26.202 0.000) 26.202 0.669 ( -0.000 33.914 0.000) 33.914 1.502 ( -0.000 12.610 0.000) 12.610 1.672 ( -0.000 2.288 0.000) 2.288 2.501 ( 0.000 -2.720 0.000) 2.720 3.517 ( -0.000 2.979 0.000) 2.979 3.623 ( -0.000 7.148 0.000) 7.148 4.001 ( 0.000 -0.891 0.000) 0.891 4.689 ( -0.000 13.811 0.000) 13.811 4.802 ( 0.000 -5.808 0.000) 5.808 5.138 ( -0.000 9.485 0.000) 9.485 5.345 ( -0.000 0.027 0.000) 0.027 5.397 ( 0.000 -11.937 0.000) 11.937 6.378 ( -0.000 3.471 0.000) 3.471 7.268 ( 0.000 -8.027 0.000) 8.027 8.295 ( 0.000 -12.000 0.000) 12.000 8.827 ( 0.000 -8.383 0.000) 8.383 12.362 ( -0.000 3.503 0.000) 3.503 12.899 ( 0.000 -1.950 0.000) 1.950 13.542 ( 0.000 -3.044 0.000) 3.044 13.889 ( -0.000 3.361 0.000) 3.361 16.705 ( 0.000 -0.744 0.000) 0.744 16.740 ( -0.000 1.024 0.000) 1.024 16.946 ( -0.000 0.635 0.000) 0.635 17.158 ( 0.000 -0.494 0.000) 0.494 18.850 ( -0.000 0.781 0.000) 0.781 19.307 ( -0.000 0.570 0.000) 0.570 27.813 ( -0.000 1.756 0.000) 1.756 28.210 ( -0.000 1.472 0.000) 1.472 28.377 ( 0.000 -0.131 0.000) 0.131 28.578 ( -0.000 1.805 0.000) 1.805 31.552 ( -0.000 9.591 0.000) 9.591 33.751 ( -0.000 1.558 0.000) 1.558 34.647 ( 0.000 -1.299 0.000) 1.299 35.322 ( 0.000 -2.636 0.000) 2.636 ======================= Grid point 24 (17/144) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 24.091 -0.000 0.000) 24.091 1.830 ( -1.961 0.000 0.000) 1.961 1.963 ( 20.374 -0.000 0.000) 20.374 2.486 ( -1.732 0.000 0.000) 1.732 3.140 ( 31.222 -0.000 0.000) 31.222 3.184 ( -13.088 0.000 0.000) 13.088 3.388 ( 0.881 -0.000 0.000) 0.881 3.682 ( 28.865 -0.000 0.000) 28.865 3.721 ( -6.848 0.000 0.000) 6.848 4.025 ( -10.466 0.000 0.000) 10.466 4.841 ( 5.691 -0.000 0.000) 5.691 5.997 ( 9.939 -0.000 0.000) 9.939 6.078 ( 6.085 -0.000 0.000) 6.085 6.446 ( -1.830 0.000 0.000) 1.830 6.598 ( 15.439 -0.000 0.000) 15.439 6.646 ( -9.376 0.000 0.000) 9.376 7.730 ( -15.144 0.000 0.000) 15.144 8.034 ( -19.944 0.000 0.000) 19.944 12.289 ( -0.058 0.000 0.000) 0.058 12.630 ( -2.496 0.000 0.000) 2.496 13.789 ( 2.546 -0.000 0.000) 2.546 14.168 ( 4.475 -0.000 0.000) 4.475 16.761 ( 2.377 -0.000 0.000) 2.377 16.836 ( 0.184 -0.000 0.000) 0.184 16.931 ( -1.070 0.000 0.000) 1.070 16.984 ( 2.899 -0.000 0.000) 2.899 18.846 ( 0.666 -0.000 0.000) 0.666 19.211 ( -1.469 0.000 0.000) 1.469 27.753 ( 1.096 -0.000 0.000) 1.096 27.923 ( -5.494 0.000 0.000) 5.494 29.259 ( 16.755 -0.000 0.000) 16.755 30.827 ( -13.077 0.000 0.000) 13.077 31.829 ( 3.943 -0.000 0.000) 3.943 33.224 ( 8.254 -0.000 0.000) 8.254 34.068 ( 9.164 -0.000 0.000) 9.164 34.893 ( -11.147 0.000 0.000) 11.147 ======================= Grid point 25 (18/144) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -4.908 4.964 0.000) 6.981 1.908 ( 22.015 5.324 0.000) 22.650 2.145 ( -1.223 1.129 0.000) 1.664 2.432 ( -3.271 0.311 0.000) 3.286 3.116 ( 6.172 0.644 0.000) 6.205 3.486 ( 5.808 -8.335 0.000) 10.159 3.582 ( -1.023 0.491 0.000) 1.135 3.611 ( 13.839 -3.754 0.000) 14.339 3.828 ( -6.238 5.115 0.000) 8.067 4.124 ( 16.871 -2.842 0.000) 17.109 4.913 ( 4.237 1.873 0.000) 4.633 6.143 ( 8.407 2.855 0.000) 8.879 6.171 ( 6.186 0.935 0.000) 6.256 6.353 ( -9.701 -0.135 0.000) 9.702 6.517 ( -8.320 -3.597 0.000) 9.065 6.770 ( 3.387 -0.714 0.000) 3.462 7.443 ( -11.618 9.636 0.000) 15.094 7.751 ( -16.725 -7.969 0.000) 18.527 12.296 ( 1.206 0.414 0.000) 1.275 12.596 ( -0.819 0.881 0.000) 1.203 13.811 ( -0.098 -0.083 0.000) 0.129 14.222 ( 2.172 0.469 0.000) 2.222 16.792 ( 1.164 0.803 0.000) 1.414 16.845 ( 2.494 0.945 0.000) 2.667 16.914 ( -1.716 -0.747 0.000) 1.872 17.055 ( 2.883 -3.041 0.000) 4.191 18.860 ( 1.261 0.455 0.000) 1.340 19.195 ( -0.981 -0.806 0.000) 1.270 27.770 ( 1.046 1.080 0.000) 1.503 27.852 ( -3.443 -2.093 0.000) 4.029 29.460 ( 6.427 0.140 0.000) 6.429 30.561 ( -12.962 6.262 0.000) 14.395 31.911 ( 8.990 4.185 0.000) 9.917 33.408 ( 6.722 -8.022 0.000) 10.466 34.241 ( 10.429 -0.971 0.000) 10.474 34.693 ( -11.484 1.061 0.000) 11.533 ======================= Grid point 26 (19/144) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -3.677 6.803 0.000) 7.733 1.976 ( -14.537 -1.683 0.000) 14.634 2.140 ( 16.632 12.827 0.000) 21.004 2.400 ( -0.003 1.033 0.000) 1.033 3.276 ( 13.266 4.580 0.000) 14.035 3.518 ( -3.710 -0.694 0.000) 3.774 3.633 ( -5.044 5.356 0.000) 7.357 3.759 ( 10.481 -13.323 0.000) 16.951 3.832 ( -4.331 -6.629 0.000) 7.918 4.370 ( 14.113 3.837 0.000) 14.626 4.972 ( 6.191 3.131 0.000) 6.938 6.018 ( -18.212 6.334 0.000) 19.281 6.264 ( 4.629 -0.402 0.000) 4.647 6.306 ( 5.146 -1.220 0.000) 5.289 6.433 ( -6.607 -3.238 0.000) 7.358 6.726 ( -9.963 -2.804 0.000) 10.350 7.174 ( -7.639 7.566 0.000) 10.752 7.649 ( -7.905 -10.980 0.000) 13.529 12.325 ( 2.897 0.595 0.000) 2.957 12.585 ( 1.238 1.847 0.000) 2.224 13.786 ( -3.141 -0.491 0.000) 3.179 14.233 ( 0.088 0.985 0.000) 0.989 16.791 ( 0.145 0.809 0.000) 0.822 16.880 ( -0.436 0.588 0.000) 0.732 16.898 ( 1.583 -0.130 0.000) 1.589 17.132 ( 1.609 -3.385 0.000) 3.748 18.877 ( 1.696 1.114 0.000) 2.029 19.196 ( -0.405 -1.504 0.000) 1.557 27.753 ( -0.579 1.411 0.000) 1.525 27.872 ( 1.567 -3.330 0.000) 3.681 29.469 ( -5.138 0.212 0.000) 5.143 30.266 ( -13.398 6.195 0.000) 14.760 32.036 ( 12.238 7.026 0.000) 14.111 33.611 ( 6.565 -8.371 0.000) 10.638 34.440 ( 10.914 -1.905 0.000) 11.079 34.484 ( -10.941 1.924 0.000) 11.108 ======================= Grid point 27 (20/144) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.138 5.650 0.000) 6.042 1.774 ( -12.918 -6.986 0.000) 14.686 2.199 ( 11.330 19.139 0.000) 22.241 2.404 ( 1.775 1.036 0.000) 2.055 3.348 ( -15.254 1.586 0.000) 15.336 3.437 ( 12.099 5.662 0.000) 13.358 3.524 ( -14.784 -1.584 0.000) 14.869 3.739 ( -0.518 0.570 0.000) 0.771 4.055 ( 8.881 -7.273 0.000) 11.479 4.529 ( 10.643 6.829 0.000) 12.646 5.034 ( 6.114 5.715 0.000) 8.369 5.580 ( -23.786 3.957 0.000) 24.113 6.250 ( -14.355 3.544 0.000) 14.786 6.361 ( -1.948 -7.908 0.000) 8.145 6.420 ( 5.362 -2.243 0.000) 5.812 6.585 ( -7.975 -4.553 0.000) 9.183 7.033 ( -4.368 -0.932 0.000) 4.466 7.706 ( -0.104 -11.060 0.000) 11.061 12.379 ( 4.475 1.209 0.000) 4.636 12.597 ( 2.899 2.263 0.000) 3.678 13.718 ( -5.730 -1.081 0.000) 5.832 14.208 ( -1.349 1.394 0.000) 1.940 16.782 ( -0.355 0.517 0.000) 0.627 16.843 ( -2.041 0.785 0.000) 2.187 16.939 ( 2.406 0.240 0.000) 2.418 17.177 ( -0.192 -2.546 0.000) 2.553 18.893 ( 1.847 1.668 0.000) 2.489 19.213 ( 0.168 -1.861 0.000) 1.869 27.742 ( 1.123 1.023 0.000) 1.519 27.958 ( 3.859 -3.485 0.000) 5.200 29.291 ( -14.731 0.598 0.000) 14.744 29.971 ( -15.491 2.941 0.000) 15.768 32.152 ( 12.526 11.049 0.000) 16.703 33.817 ( 8.133 -6.353 0.000) 10.320 34.282 ( -9.676 2.569 0.000) 10.012 34.649 ( 10.492 -2.739 0.000) 10.843 ======================= Grid point 28 (21/144) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -1.080 6.026 0.000) 6.122 1.762 ( -0.635 -11.012 0.000) 11.030 2.119 ( 7.495 23.937 0.000) 25.083 2.429 ( 2.112 1.311 0.000) 2.486 2.902 ( -35.406 1.622 0.000) 35.443 3.213 ( -17.686 2.423 0.000) 17.851 3.567 ( 10.533 5.102 0.000) 11.703 3.815 ( 7.602 2.783 0.000) 8.096 4.170 ( 3.348 5.864 0.000) 6.753 4.583 ( 5.191 6.501 0.000) 8.319 5.052 ( 6.244 9.297 0.000) 11.199 5.196 ( -20.848 -5.704 0.000) 21.614 5.823 ( -28.656 1.547 0.000) 28.698 6.417 ( -6.330 -7.625 0.000) 9.910 6.511 ( 2.046 -1.433 0.000) 2.498 6.566 ( 2.017 -3.310 0.000) 3.876 7.070 ( 0.955 -12.209 0.000) 12.247 7.875 ( 4.837 -11.654 0.000) 12.618 12.443 ( 5.523 2.960 0.000) 6.267 12.634 ( 3.700 1.316 0.000) 3.927 13.622 ( -7.045 -1.750 0.000) 7.259 14.159 ( -2.127 1.868 0.000) 2.831 16.765 ( -1.242 0.197 0.000) 1.258 16.801 ( -1.254 1.211 0.000) 1.743 16.969 ( 1.403 0.369 0.000) 1.451 17.183 ( -1.569 -1.548 0.000) 2.204 18.903 ( 1.673 2.011 0.000) 2.616 19.240 ( 0.639 -1.854 0.000) 1.961 27.772 ( 3.733 1.032 0.000) 3.874 28.068 ( 4.364 -3.077 0.000) 5.340 28.979 ( -19.676 1.331 0.000) 19.721 29.667 ( -19.423 -1.284 0.000) 19.466 32.205 ( 10.374 15.220 0.000) 18.419 34.029 ( 10.358 -3.649 0.000) 10.981 34.102 ( -7.787 2.957 0.000) 8.330 34.852 ( 9.106 -3.446 0.000) 9.736 ======================= Grid point 29 (22/144) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.595 7.346 0.000) 7.370 1.880 ( 0.472 -6.024 0.000) 6.042 1.927 ( -1.315 23.840 0.000) 23.877 2.193 ( -38.157 6.824 0.000) 38.762 2.420 ( -1.235 2.064 0.000) 2.405 2.830 ( -18.434 12.572 0.000) 22.313 3.707 ( 11.166 2.093 0.000) 11.360 3.863 ( 0.050 3.115 0.000) 3.115 4.084 ( 0.991 13.303 0.000) 13.340 4.602 ( 2.461 0.324 0.000) 2.482 5.001 ( -15.570 -13.869 0.000) 20.851 5.067 ( 8.877 11.222 0.000) 14.308 5.334 ( -24.182 0.821 0.000) 24.196 6.267 ( -12.055 4.395 0.000) 12.831 6.519 ( -1.036 0.584 0.000) 1.189 6.710 ( 3.418 -10.857 0.000) 11.382 7.314 ( 4.653 -21.029 0.000) 21.537 8.114 ( 6.826 -12.987 0.000) 14.672 12.493 ( 5.453 5.381 0.000) 7.661 12.696 ( 3.887 -0.799 0.000) 3.969 13.527 ( -6.480 -2.415 0.000) 6.915 14.097 ( -2.269 2.581 0.000) 3.437 16.733 ( -2.528 -0.463 0.000) 2.570 16.780 ( 0.414 1.518 0.000) 1.573 16.978 ( 0.355 0.636 0.000) 0.728 17.165 ( -1.794 -0.844 0.000) 1.982 18.904 ( 1.206 2.174 0.000) 2.486 19.273 ( 0.853 -1.551 0.000) 1.771 27.844 ( 6.050 1.510 0.000) 6.235 28.155 ( 1.938 -1.763 0.000) 2.620 28.632 ( -17.167 2.117 0.000) 17.297 29.330 ( -23.937 -4.410 0.000) 24.340 32.167 ( 6.730 18.290 0.000) 19.489 33.956 ( -5.415 3.077 0.000) 6.228 34.249 ( 11.900 -1.621 0.000) 12.010 35.030 ( 6.803 -3.999 0.000) 7.891 ======================= Grid point 30 (23/144) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -43.069 4.736 0.000) 43.329 1.301 ( 2.689 13.439 0.000) 13.705 1.779 ( 6.914 32.867 0.000) 33.586 1.850 ( -4.938 3.441 0.000) 6.019 2.321 ( -18.633 20.127 0.000) 27.428 2.387 ( -1.275 -2.305 0.000) 2.634 3.738 ( -7.614 4.655 0.000) 8.924 3.887 ( 9.460 -0.344 0.000) 9.467 3.956 ( 1.313 12.952 0.000) 13.018 4.660 ( 0.083 -4.567 0.000) 4.568 4.954 ( -9.577 -16.983 0.000) 19.497 4.971 ( -11.911 -3.193 0.000) 12.331 5.202 ( 17.430 15.285 0.000) 23.182 5.925 ( -18.212 10.534 0.000) 21.039 6.484 ( -1.217 1.631 0.000) 2.035 6.884 ( 1.739 -12.269 0.000) 12.392 7.640 ( 3.749 -23.404 0.000) 23.703 8.371 ( 5.133 -14.163 0.000) 15.064 12.506 ( 3.562 6.422 0.000) 7.344 12.778 ( 3.412 -2.339 0.000) 4.137 13.466 ( -3.886 -3.011 0.000) 4.916 14.029 ( -1.633 3.427 0.000) 3.796 16.698 ( -2.259 -0.893 0.000) 2.429 16.775 ( 0.759 1.444 0.000) 1.631 16.971 ( -0.118 0.730 0.000) 0.740 17.147 ( -1.052 -0.505 0.000) 1.167 18.896 ( 0.576 2.130 0.000) 2.207 19.300 ( 0.647 -0.995 0.000) 1.187 27.913 ( 2.147 2.344 0.000) 3.179 28.163 ( 0.676 0.266 0.000) 0.726 28.418 ( -4.144 2.450 0.000) 4.814 28.948 ( -25.715 -3.658 0.000) 25.974 32.038 ( 2.798 19.276 0.000) 19.478 33.853 ( -2.748 2.958 0.000) 4.038 34.462 ( 10.427 -1.778 0.000) 10.577 35.166 ( 3.692 -4.292 0.000) 5.662 ======================= Grid point 31 (24/144) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.000 8.913 0.000) 8.913 1.128 ( -0.000 21.378 0.000) 21.378 1.478 ( -0.000 38.304 0.000) 38.304 1.745 ( -0.000 4.255 0.000) 4.255 1.885 ( -0.000 20.461 0.000) 20.461 2.420 ( 0.000 -4.319 0.000) 4.319 3.603 ( -0.000 4.636 0.000) 4.636 3.834 ( -0.000 11.529 0.000) 11.529 3.982 ( 0.000 -0.627 0.000) 0.627 4.691 ( 0.000 -4.330 0.000) 4.330 4.897 ( -0.000 1.179 0.000) 1.179 5.064 ( 0.000 -17.523 0.000) 17.523 5.360 ( -0.000 10.522 0.000) 10.522 5.478 ( -0.000 14.024 0.000) 14.024 6.450 ( -0.000 2.590 0.000) 2.590 7.035 ( 0.000 -12.277 0.000) 12.277 7.924 ( 0.000 -21.229 0.000) 21.229 8.574 ( 0.000 -13.849 0.000) 13.849 12.469 ( -0.000 5.965 0.000) 5.965 12.843 ( 0.000 -2.953 0.000) 2.953 13.468 ( 0.000 -3.395 0.000) 3.395 13.973 ( -0.000 3.928 0.000) 3.928 16.686 ( 0.000 -0.964 0.000) 0.964 16.767 ( -0.000 1.409 0.000) 1.409 16.962 ( -0.000 0.738 0.000) 0.738 17.145 ( 0.000 -0.634 0.000) 0.634 18.878 ( -0.000 1.799 0.000) 1.799 19.313 ( 0.000 -0.275 0.000) 0.275 27.866 ( -0.000 2.933 0.000) 2.933 28.230 ( -0.000 0.067 0.000) 0.067 28.386 ( -0.000 1.019 0.000) 1.019 28.634 ( -0.000 3.095 0.000) 3.095 31.855 ( -0.000 17.510 0.000) 17.510 33.798 ( -0.000 2.660 0.000) 2.660 34.599 ( 0.000 -3.163 0.000) 3.163 35.245 ( 0.000 -4.165 0.000) 4.165 ======================= Grid point 36 (25/144) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -4.427 0.000 0.000) 4.427 1.951 ( -18.015 0.000 0.000) 18.015 2.294 ( 18.489 -0.000 0.000) 18.489 2.419 ( 0.608 -0.000 0.000) 0.608 3.377 ( 19.287 -0.000 0.000) 19.287 3.513 ( -2.858 0.000 0.000) 2.858 3.545 ( 7.539 -0.000 0.000) 7.539 3.727 ( -3.430 0.000 0.000) 3.430 3.731 ( -6.216 0.000 0.000) 6.216 4.387 ( 14.643 -0.000 0.000) 14.643 5.026 ( 7.892 -0.000 0.000) 7.892 6.097 ( -19.683 0.000 0.000) 19.683 6.283 ( 6.191 -0.000 0.000) 6.191 6.289 ( 6.349 -0.000 0.000) 6.349 6.364 ( -7.293 0.000 0.000) 7.293 6.695 ( -11.575 0.000 0.000) 11.575 7.365 ( -18.599 0.000 0.000) 18.599 7.420 ( -1.074 0.000 0.000) 1.074 12.332 ( 2.890 -0.000 0.000) 2.890 12.607 ( 1.460 -0.000 0.000) 1.460 13.780 ( -3.349 0.000 0.000) 3.349 14.244 ( 0.166 -0.000 0.000) 0.166 16.804 ( -0.275 0.000 0.000) 0.275 16.883 ( -1.392 0.000 0.000) 1.392 16.898 ( 2.923 -0.000 0.000) 2.923 17.087 ( 2.474 -0.000 0.000) 2.474 18.892 ( 2.003 -0.000 0.000) 2.003 19.176 ( -0.595 0.000 0.000) 0.595 27.788 ( -1.706 0.000 0.000) 1.706 27.814 ( 2.570 -0.000 0.000) 2.570 29.471 ( -5.081 0.000 0.000) 5.081 30.342 ( -16.009 0.000 0.000) 16.009 32.131 ( 13.750 -0.000 0.000) 13.750 33.499 ( 8.387 -0.000 0.000) 8.387 34.419 ( 10.900 -0.000 0.000) 10.900 34.506 ( -11.009 0.000 0.000) 11.009 ======================= Grid point 37 (26/144) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -1.258 3.051 0.000) 3.300 1.657 ( -15.236 -3.054 0.000) 15.539 2.432 ( 1.857 1.076 0.000) 2.146 2.512 ( 12.422 7.951 0.000) 14.748 3.408 ( -10.216 2.460 0.000) 10.508 3.482 ( -23.478 -1.637 0.000) 23.535 3.590 ( 13.041 8.612 0.000) 15.628 3.737 ( 7.028 -0.155 0.000) 7.030 3.823 ( 13.464 -11.858 0.000) 17.942 4.598 ( 9.551 0.500 0.000) 9.564 5.165 ( 10.454 4.349 0.000) 11.322 5.686 ( -25.195 3.654 0.000) 25.458 6.249 ( -6.925 -2.123 0.000) 7.243 6.303 ( -14.979 1.201 0.000) 15.028 6.377 ( 3.435 -1.269 0.000) 3.662 6.480 ( -4.240 -3.705 0.000) 5.630 7.053 ( -14.002 1.775 0.000) 14.115 7.495 ( 3.206 -6.498 0.000) 7.246 12.395 ( 4.600 0.319 0.000) 4.611 12.642 ( 3.253 1.265 0.000) 3.490 13.701 ( -6.055 -0.406 0.000) 6.068 14.231 ( -1.202 0.604 0.000) 1.346 16.789 ( -1.232 0.161 0.000) 1.242 16.860 ( -1.111 0.565 0.000) 1.247 16.942 ( 2.212 0.037 0.000) 2.212 17.127 ( 0.850 -1.503 0.000) 1.727 18.924 ( 2.327 0.953 0.000) 2.514 19.176 ( -0.206 -1.128 0.000) 1.146 27.775 ( 1.505 1.622 0.000) 2.212 27.882 ( 3.426 -2.775 0.000) 4.409 29.300 ( -14.269 0.252 0.000) 14.271 30.035 ( -18.399 1.935 0.000) 18.500 32.359 ( 16.188 6.090 0.000) 17.296 33.677 ( 9.209 -4.621 0.000) 10.303 34.322 ( -9.777 0.961 0.000) 9.824 34.607 ( 10.455 -1.001 0.000) 10.502 ======================= Grid point 38 (27/144) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -11.383 -8.199 0.000) 14.028 1.650 ( 7.668 4.181 0.000) 8.733 2.463 ( 3.334 1.519 0.000) 3.664 2.553 ( 5.967 14.462 0.000) 15.645 2.947 ( -34.347 0.796 0.000) 34.357 3.223 ( -11.618 0.495 0.000) 11.629 3.700 ( 9.989 6.880 0.000) 12.129 3.888 ( 10.126 3.254 0.000) 10.636 4.138 ( 9.721 -7.476 0.000) 12.263 4.677 ( 1.378 2.218 0.000) 2.612 5.199 ( -25.286 4.465 0.000) 25.677 5.271 ( 10.440 8.959 0.000) 13.757 5.838 ( -31.489 -0.085 0.000) 31.489 6.205 ( -5.723 -8.157 0.000) 9.965 6.449 ( 1.848 -3.924 0.000) 4.338 6.545 ( 3.792 -0.747 0.000) 3.865 6.869 ( -9.878 -5.790 0.000) 11.450 7.655 ( 6.136 -7.539 0.000) 9.720 12.479 ( 5.707 0.592 0.000) 5.737 12.684 ( 3.953 2.488 0.000) 4.671 13.592 ( -7.397 -0.986 0.000) 7.462 14.195 ( -1.785 1.211 0.000) 2.157 16.760 ( -2.397 -0.416 0.000) 2.433 16.834 ( -0.435 1.458 0.000) 1.521 16.973 ( 1.356 -0.043 0.000) 1.357 17.144 ( -0.822 -1.629 0.000) 1.825 18.947 ( 2.138 1.866 0.000) 2.838 19.194 ( 0.192 -2.095 0.000) 2.104 27.806 ( 4.465 1.988 0.000) 4.887 27.986 ( 4.163 -3.906 0.000) 5.709 29.004 ( -18.927 0.873 0.000) 18.947 29.682 ( -20.603 1.545 0.000) 20.661 32.525 ( 14.846 12.597 0.000) 19.470 33.904 ( 10.035 -6.511 0.000) 11.963 34.156 ( -7.913 1.768 0.000) 8.108 34.791 ( 9.024 -1.965 0.000) 9.236 ======================= Grid point 39 (28/144) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -3.184 -6.183 0.000) 6.955 1.771 ( 8.574 0.771 0.000) 8.609 2.152 ( -41.101 3.138 0.000) 41.221 2.491 ( 1.963 3.517 0.000) 4.027 2.563 ( 2.783 18.805 0.000) 19.009 3.020 ( -10.004 4.606 0.000) 11.013 3.787 ( 8.505 4.957 0.000) 9.844 3.954 ( 2.142 5.448 0.000) 5.854 4.291 ( 4.378 2.205 0.000) 4.902 4.625 ( -3.256 1.584 0.000) 3.621 4.784 ( -20.588 -2.671 0.000) 20.761 5.241 ( -17.276 3.666 0.000) 17.661 5.418 ( 1.120 6.988 0.000) 7.077 6.206 ( -7.161 -8.867 0.000) 11.398 6.507 ( 0.076 -2.149 0.000) 2.150 6.600 ( 3.082 0.382 0.000) 3.105 6.870 ( -4.254 -17.716 0.000) 18.220 7.860 ( 6.730 -9.391 0.000) 11.553 12.570 ( 5.871 1.215 0.000) 5.995 12.717 ( 3.359 2.815 0.000) 4.382 13.482 ( -6.782 -1.616 0.000) 6.972 14.147 ( -1.720 1.888 0.000) 2.554 16.718 ( -3.170 -0.811 0.000) 3.272 16.816 ( 0.364 1.665 0.000) 1.705 16.988 ( 0.483 0.214 0.000) 0.528 17.139 ( -1.404 -1.290 0.000) 1.907 18.956 ( 1.572 2.377 0.000) 2.850 19.225 ( 0.452 -2.534 0.000) 2.574 27.881 ( 6.677 1.992 0.000) 6.967 28.095 ( 3.280 -3.428 0.000) 4.745 28.673 ( -17.005 1.549 0.000) 17.075 29.306 ( -21.754 0.859 0.000) 21.771 32.576 ( 10.592 17.927 0.000) 20.822 34.018 ( -5.542 2.376 0.000) 6.030 34.149 ( 9.787 -6.676 0.000) 11.847 34.952 ( 6.675 -2.859 0.000) 7.262 ======================= Grid point 40 (29/144) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -41.397 3.065 0.000) 41.510 1.467 ( 2.419 -0.813 0.000) 2.552 1.879 ( 3.800 1.218 0.000) 3.991 2.417 ( 7.132 23.470 0.000) 24.529 2.426 ( -2.591 5.928 0.000) 6.470 2.736 ( -10.737 16.267 0.000) 19.491 3.842 ( -6.769 4.988 0.000) 8.408 3.902 ( 8.905 1.686 0.000) 9.064 4.247 ( 1.292 12.447 0.000) 12.514 4.586 ( -1.119 -1.958 0.000) 2.255 4.593 ( -13.047 -14.560 0.000) 19.550 4.906 ( -14.391 -1.760 0.000) 14.498 5.500 ( 15.000 11.426 0.000) 18.856 6.087 ( -12.348 1.597 0.000) 12.451 6.503 ( -1.070 0.115 0.000) 1.076 6.670 ( 2.186 -5.221 0.000) 5.660 7.089 ( 0.093 -25.774 0.000) 25.774 8.077 ( 4.577 -11.799 0.000) 12.656 12.633 ( 4.064 3.943 0.000) 5.663 12.743 ( 2.113 0.207 0.000) 2.123 13.408 ( -4.089 -2.217 0.000) 4.651 14.097 ( -1.126 2.657 0.000) 2.886 16.677 ( -2.514 -0.967 0.000) 2.694 16.809 ( 0.643 1.494 0.000) 1.626 16.985 ( -0.174 0.541 0.000) 0.568 17.131 ( -0.889 -0.893 0.000) 1.260 18.949 ( 0.798 2.575 0.000) 2.696 19.261 ( 0.407 -2.454 0.000) 2.488 27.960 ( 3.261 2.023 0.000) 3.838 28.160 ( 2.648 -0.594 0.000) 2.713 28.450 ( -6.286 0.747 0.000) 6.330 28.938 ( -19.028 1.449 0.000) 19.083 32.492 ( 5.044 21.162 0.000) 21.755 33.917 ( -2.833 2.765 0.000) 3.959 34.368 ( 6.921 -6.397 0.000) 9.424 35.076 ( 3.579 -3.633 0.000) 5.100 ======================= Grid point 41 (30/144) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.000 5.414 0.000) 5.414 1.471 ( -0.000 7.493 0.000) 7.493 1.854 ( -0.000 5.518 0.000) 5.518 2.280 ( -0.000 32.914 0.000) 32.914 2.328 ( -0.000 18.576 0.000) 18.576 2.356 ( -0.000 0.531 0.000) 0.531 3.711 ( -0.000 4.962 0.000) 4.962 3.982 ( -0.000 0.885 0.000) 0.885 4.112 ( -0.000 13.269 0.000) 13.269 4.608 ( 0.000 -3.255 0.000) 3.255 4.661 ( 0.000 -18.416 0.000) 18.416 4.824 ( 0.000 -4.535 0.000) 4.535 5.588 ( -0.000 9.826 0.000) 9.826 5.819 ( -0.000 12.956 0.000) 12.956 6.487 ( -0.000 0.845 0.000) 0.845 6.775 ( 0.000 -9.995 0.000) 9.995 7.389 ( 0.000 -26.732 0.000) 26.732 8.260 ( 0.000 -13.799 0.000) 13.799 12.609 ( -0.000 6.264 0.000) 6.264 12.780 ( 0.000 -2.412 0.000) 2.412 13.399 ( 0.000 -2.736 0.000) 2.736 14.054 ( -0.000 3.314 0.000) 3.314 16.664 ( 0.000 -1.019 0.000) 1.019 16.799 ( -0.000 1.466 0.000) 1.466 16.976 ( -0.000 0.595 0.000) 0.595 17.131 ( 0.000 -0.652 0.000) 0.652 18.927 ( -0.000 2.519 0.000) 2.519 19.289 ( 0.000 -1.908 0.000) 1.908 27.935 ( -0.000 3.157 0.000) 3.157 28.220 ( 0.000 -0.614 0.000) 0.614 28.407 ( -0.000 0.499 0.000) 0.499 28.707 ( -0.000 3.454 0.000) 3.454 32.295 ( -0.000 21.752 0.000) 21.752 33.862 ( -0.000 2.949 0.000) 2.949 34.502 ( 0.000 -5.819 0.000) 5.819 35.151 ( 0.000 -4.163 0.000) 4.163 ======================= Grid point 48 (31/144) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -13.304 0.000 0.000) 13.304 1.713 ( 7.330 -0.000 0.000) 7.330 2.483 ( 3.483 -0.000 0.000) 3.483 2.732 ( 8.697 -0.000 0.000) 8.697 2.922 ( -38.280 0.000 0.000) 38.280 3.247 ( -10.778 0.000 0.000) 10.778 3.828 ( 7.991 -0.000 0.000) 7.991 3.929 ( 12.653 -0.000 0.000) 12.653 3.986 ( 13.256 -0.000 0.000) 13.256 4.698 ( 1.556 -0.000 0.000) 1.556 5.272 ( -25.093 0.000 0.000) 25.093 5.379 ( 10.933 -0.000 0.000) 10.933 5.835 ( -32.823 0.000 0.000) 32.823 6.110 ( -7.001 0.000 0.000) 7.001 6.391 ( -0.579 0.000 0.000) 0.579 6.532 ( 5.891 -0.000 0.000) 5.891 6.809 ( -13.246 0.000 0.000) 13.246 7.569 ( 7.618 -0.000 0.000) 7.618 12.484 ( 5.470 -0.000 0.000) 5.470 12.715 ( 4.236 -0.000 0.000) 4.236 13.581 ( -7.499 0.000 0.000) 7.499 14.209 ( -1.721 0.000 0.000) 1.721 16.755 ( -2.700 0.000 0.000) 2.700 16.853 ( -0.348 0.000 0.000) 0.348 16.971 ( 1.284 -0.000 0.000) 1.284 17.124 ( -0.254 0.000 0.000) 0.254 18.971 ( 2.391 -0.000 0.000) 2.391 19.166 ( -0.077 0.000 0.000) 0.077 27.841 ( 5.062 -0.000 0.000) 5.062 27.928 ( 3.813 -0.000 0.000) 3.813 29.014 ( -18.649 0.000 0.000) 18.649 29.703 ( -21.279 0.000 0.000) 21.279 32.682 ( 16.660 -0.000 0.000) 16.660 33.815 ( 9.843 -0.000 0.000) 9.843 34.176 ( -7.958 0.000 0.000) 7.958 34.769 ( 9.008 -0.000 0.000) 9.008 ======================= Grid point 50 (32/144) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -5.839 -6.981 0.000) 9.101 1.850 ( 9.942 3.057 0.000) 10.401 2.198 ( -44.554 1.118 0.000) 44.568 2.550 ( 4.913 1.526 0.000) 5.144 2.834 ( 5.838 5.475 0.000) 8.003 3.073 ( -7.493 1.266 0.000) 7.600 3.911 ( 6.399 5.558 0.000) 8.475 4.072 ( 4.060 3.853 0.000) 5.597 4.184 ( 3.519 -7.226 0.000) 8.037 4.655 ( -5.089 0.799 0.000) 5.152 4.865 ( -18.197 4.972 0.000) 18.864 5.287 ( -27.526 1.154 0.000) 27.550 5.540 ( 9.735 2.716 0.000) 10.107 6.034 ( -5.213 -4.591 0.000) 6.946 6.392 ( -1.962 -6.265 0.000) 6.565 6.621 ( 4.396 0.629 0.000) 4.441 6.639 ( -8.888 -3.322 0.000) 9.489 7.719 ( 7.330 -3.280 0.000) 8.030 12.575 ( 5.077 -0.091 0.000) 5.078 12.776 ( 3.867 1.706 0.000) 4.227 13.458 ( -6.891 -0.562 0.000) 6.913 14.176 ( -1.552 0.691 0.000) 1.699 16.704 ( -3.298 -0.376 0.000) 3.319 16.845 ( -0.004 0.776 0.000) 0.776 16.989 ( 0.765 -0.045 0.000) 0.767 17.117 ( -0.870 -0.577 0.000) 1.044 19.001 ( 1.844 1.386 0.000) 2.307 19.175 ( 0.101 -1.583 0.000) 1.587 27.934 ( 7.118 2.758 0.000) 7.634 28.016 ( 4.256 -3.453 0.000) 5.481 28.697 ( -17.121 0.588 0.000) 17.131 29.329 ( -21.550 0.755 0.000) 21.564 32.893 ( 13.115 8.940 0.000) 15.873 34.004 ( 8.741 -4.888 0.000) 10.015 34.055 ( -5.610 0.892 0.000) 5.680 34.909 ( 6.633 -1.024 0.000) 6.711 ======================= Grid point 51 (33/144) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.776 -11.581 0.000) 11.607 1.435 ( -40.177 1.769 0.000) 40.216 1.961 ( 7.424 4.560 0.000) 8.713 2.579 ( 2.132 6.240 0.000) 6.594 2.785 ( 0.130 10.388 0.000) 10.389 2.990 ( 0.442 6.539 0.000) 6.554 3.957 ( 5.905 3.225 0.000) 6.728 3.960 ( -8.534 5.244 0.000) 10.017 4.248 ( -6.446 -10.109 0.000) 11.989 4.564 ( -4.084 -0.562 0.000) 4.122 4.575 ( -5.920 10.285 0.000) 11.867 4.925 ( -11.786 3.464 0.000) 12.284 5.681 ( 11.246 4.158 0.000) 11.990 6.000 ( -6.992 -6.015 0.000) 9.223 6.473 ( 0.780 -6.248 0.000) 6.296 6.589 ( -5.752 -14.178 0.000) 15.300 6.660 ( 2.027 2.042 0.000) 2.878 7.875 ( 4.553 -6.248 0.000) 7.731 12.653 ( 3.337 -0.599 0.000) 3.390 12.802 ( 2.244 3.289 0.000) 3.982 13.371 ( -4.155 -1.157 0.000) 4.313 14.143 ( -0.925 1.440 0.000) 1.712 16.658 ( -2.425 -0.642 0.000) 2.509 16.837 ( 0.193 0.988 0.000) 1.007 16.995 ( 0.165 0.369 0.000) 0.405 17.111 ( -0.574 -0.772 0.000) 0.962 19.004 ( 0.945 2.284 0.000) 2.472 19.202 ( 0.187 -2.624 0.000) 2.631 28.003 ( 3.171 1.848 0.000) 3.670 28.137 ( 6.252 -1.349 0.000) 6.396 28.460 ( -8.759 0.281 0.000) 8.764 28.976 ( -17.343 1.540 0.000) 17.412 32.922 ( 6.768 16.476 0.000) 17.812 33.968 ( -2.890 1.665 0.000) 3.335 34.202 ( 5.597 -7.881 0.000) 9.666 35.013 ( 3.528 -2.023 0.000) 4.067 ======================= Grid point 52 (34/144) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.000 3.366 0.000) 3.366 1.411 ( 0.000 -10.629 0.000) 10.629 1.977 ( -0.000 5.300 0.000) 5.300 2.490 ( -0.000 9.818 0.000) 9.818 2.667 ( -0.000 11.876 0.000) 11.876 2.855 ( -0.000 18.335 0.000) 18.335 3.814 ( -0.000 4.264 0.000) 4.264 4.015 ( -0.000 1.840 0.000) 1.840 4.287 ( 0.000 -14.714 0.000) 14.714 4.405 ( -0.000 13.023 0.000) 13.023 4.546 ( 0.000 -2.360 0.000) 2.360 4.790 ( -0.000 2.519 0.000) 2.519 5.777 ( -0.000 7.016 0.000) 7.016 5.936 ( 0.000 -2.816 0.000) 2.816 6.493 ( 0.000 -0.124 0.000) 0.124 6.661 ( -0.000 0.003 0.000) 0.003 6.793 ( 0.000 -26.060 0.000) 26.060 8.001 ( 0.000 -9.245 0.000) 9.245 12.690 ( 0.000 -0.121 0.000) 0.121 12.781 ( -0.000 3.464 0.000) 3.464 13.350 ( 0.000 -1.729 0.000) 1.729 14.115 ( -0.000 2.168 0.000) 2.168 16.644 ( 0.000 -0.786 0.000) 0.786 16.828 ( -0.000 1.102 0.000) 1.102 16.990 ( -0.000 0.622 0.000) 0.622 17.115 ( 0.000 -0.774 0.000) 0.774 18.985 ( -0.000 2.602 0.000) 2.602 19.235 ( 0.000 -2.859 0.000) 2.859 27.997 ( -0.000 2.385 0.000) 2.385 28.213 ( -0.000 0.026 0.000) 0.026 28.403 ( 0.000 -0.791 0.000) 0.791 28.777 ( -0.000 2.700 0.000) 2.700 32.772 ( -0.000 20.556 0.000) 20.556 33.921 ( -0.000 2.291 0.000) 2.291 34.344 ( 0.000 -8.315 0.000) 8.315 35.071 ( 0.000 -2.931 0.000) 2.931 ======================= Grid point 61 (35/144) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -1.356 0.000 0.000) 1.356 1.455 ( -39.857 0.000 0.000) 39.857 2.018 ( 6.926 -0.000 0.000) 6.926 2.653 ( 5.117 -0.000 0.000) 5.117 2.896 ( -2.808 0.000 0.000) 2.808 3.053 ( 4.618 -0.000 0.000) 4.618 4.027 ( -6.518 0.000 0.000) 6.518 4.027 ( -1.125 0.000 0.000) 1.125 4.094 ( -6.442 0.000 0.000) 6.442 4.555 ( -5.622 0.000 0.000) 5.622 4.714 ( -4.343 0.000 0.000) 4.343 4.988 ( -7.922 0.000 0.000) 7.922 5.696 ( 6.876 -0.000 0.000) 6.876 5.938 ( -3.557 0.000 0.000) 3.557 6.291 ( -3.254 0.000 0.000) 3.254 6.519 ( -3.820 0.000 0.000) 3.820 6.688 ( 2.628 -0.000 0.000) 2.628 7.807 ( 4.593 -0.000 0.000) 4.593 12.644 ( 2.964 -0.000 0.000) 2.964 12.842 ( 2.391 -0.000 0.000) 2.391 13.358 ( -4.169 0.000 0.000) 4.169 14.159 ( -0.880 0.000 0.000) 0.880 16.651 ( -2.341 0.000 0.000) 2.341 16.848 ( -0.074 0.000 0.000) 0.074 17.000 ( 0.484 -0.000 0.000) 0.484 17.102 ( -0.530 0.000 0.000) 0.530 19.034 ( 1.059 -0.000 0.000) 1.059 19.166 ( 0.034 -0.000 0.000) 0.034 28.029 ( 1.407 -0.000 0.000) 1.407 28.116 ( 9.530 -0.000 0.000) 9.530 28.464 ( -9.864 0.000 0.000) 9.864 28.994 ( -17.060 0.000 0.000) 17.060 33.127 ( 7.618 -0.000 0.000) 7.618 33.986 ( -2.908 0.000 0.000) 2.908 34.093 ( 5.015 -0.000 0.000) 5.015 34.990 ( 3.517 -0.000 0.000) 3.517 ======================= Grid point 63 (36/144) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -0.000 1.175 0.000) 1.175 1.167 ( 0.000 -7.965 0.000) 7.965 2.067 ( -0.000 2.387 0.000) 2.387 2.674 ( -0.000 5.088 0.000) 5.088 2.841 ( -0.000 3.941 0.000) 3.941 3.091 ( -0.000 4.345 0.000) 4.345 3.885 ( -0.000 1.858 0.000) 1.858 4.048 ( -0.000 0.937 0.000) 0.937 4.052 ( 0.000 -5.854 0.000) 5.854 4.508 ( 0.000 -0.982 0.000) 0.982 4.646 ( -0.000 7.202 0.000) 7.202 4.907 ( -0.000 5.430 0.000) 5.430 5.801 ( 0.000 -5.814 0.000) 5.814 5.884 ( -0.000 2.545 0.000) 2.545 6.334 ( 0.000 -12.834 0.000) 12.834 6.488 ( 0.000 -0.169 0.000) 0.169 6.701 ( -0.000 1.728 0.000) 1.728 7.864 ( 0.000 -3.128 0.000) 3.128 12.673 ( 0.000 -0.575 0.000) 0.575 12.852 ( -0.000 1.909 0.000) 1.909 13.324 ( 0.000 -0.588 0.000) 0.588 14.147 ( -0.000 0.751 0.000) 0.751 16.632 ( 0.000 -0.296 0.000) 0.296 16.845 ( -0.000 0.408 0.000) 0.408 17.002 ( -0.000 0.388 0.000) 0.388 17.100 ( 0.000 -0.468 0.000) 0.468 19.034 ( -0.000 1.590 0.000) 1.590 19.178 ( 0.000 -1.844 0.000) 1.844 28.034 ( -0.000 0.883 0.000) 0.883 28.218 ( -0.000 0.286 0.000) 0.286 28.383 ( 0.000 -0.689 0.000) 0.689 28.819 ( -0.000 1.021 0.000) 1.021 33.134 ( -0.000 10.308 0.000) 10.308 33.957 ( -0.000 0.863 0.000) 0.863 34.171 ( 0.000 -5.748 0.000) 5.748 35.026 ( 0.000 -1.039 0.000) 1.039 ======================= Grid point 125 (37/144) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 0.000 24.153) 24.153 0.594 ( 0.000 0.000 26.950) 26.950 0.928 ( 0.000 0.000 45.532) 45.532 1.444 ( 0.000 0.000 8.961) 8.961 1.604 ( 0.000 0.000 -4.101) 4.101 2.610 ( 0.000 0.000 -11.610) 11.610 3.505 ( 0.000 0.000 -3.804) 3.804 3.527 ( 0.000 0.000 3.700) 3.700 4.512 ( 0.000 0.000 0.565) 0.565 4.583 ( 0.000 0.000 -26.441) 26.441 4.784 ( 0.000 0.000 8.897) 8.897 4.867 ( 0.000 0.000 -8.242) 8.242 4.935 ( 0.000 0.000 -4.152) 4.152 5.825 ( 0.000 0.000 19.469) 19.469 6.085 ( 0.000 0.000 -8.090) 8.090 6.380 ( 0.000 0.000 4.283) 4.283 8.951 ( 0.000 0.000 2.797) 2.797 9.256 ( 0.000 0.000 -0.954) 0.954 12.345 ( 0.000 0.000 2.232) 2.232 12.762 ( 0.000 0.000 -2.276) 2.276 13.589 ( 0.000 0.000 0.810) 0.810 13.828 ( 0.000 0.000 -1.763) 1.763 16.718 ( 0.000 0.000 0.023) 0.023 16.724 ( 0.000 0.000 -0.030) 0.030 16.881 ( 0.000 0.000 0.112) 0.112 16.933 ( 0.000 0.000 -0.455) 0.455 19.308 ( 0.000 0.000 0.860) 0.860 19.444 ( 0.000 0.000 -0.620) 0.620 27.829 ( 0.000 0.000 3.535) 3.535 28.065 ( 0.000 0.000 0.533) 0.533 28.182 ( 0.000 0.000 -0.745) 0.745 28.518 ( 0.000 0.000 -3.941) 3.941 31.459 ( 0.000 0.000 1.377) 1.377 31.793 ( 0.000 0.000 -2.337) 2.337 35.382 ( 0.000 0.000 2.902) 2.902 35.830 ( 0.000 0.000 -2.041) 2.041 ======================= Grid point 126 (38/144) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 14.505 1.936 13.052) 19.609 0.737 ( 8.956 -15.843 18.301) 25.810 1.407 ( 37.052 -1.516 26.481) 45.567 1.666 ( 8.794 -1.425 -2.439) 9.237 1.862 ( 29.042 -3.280 1.424) 29.261 2.560 ( -1.649 2.141 -5.373) 6.014 3.478 ( -5.090 -3.736 -6.393) 8.985 3.614 ( 7.677 -1.924 2.570) 8.321 4.068 ( -11.097 9.226 10.821) 18.038 4.549 ( -6.077 -1.038 -16.146) 17.283 4.742 ( 0.499 -5.995 12.814) 14.156 5.025 ( 16.314 6.905 -8.595) 19.690 5.634 ( 30.914 15.404 -24.705) 42.465 5.818 ( 3.669 4.755 16.299) 17.371 6.306 ( -0.874 -17.682 -13.116) 22.033 6.528 ( 11.118 -15.645 -13.862) 23.675 8.759 ( -20.846 17.930 13.138) 30.474 8.872 ( -11.743 4.706 5.326) 13.727 12.340 ( -0.883 -0.470 2.207) 2.423 12.763 ( -2.548 -2.081 -3.113) 4.529 13.619 ( 3.749 2.052 1.823) 4.646 13.874 ( 3.883 -1.640 -1.650) 4.527 16.717 ( -0.160 -0.138 -0.397) 0.450 16.738 ( 1.268 1.433 -3.216) 3.743 16.925 ( -0.580 -7.104 -3.518) 7.949 16.942 ( 0.229 -0.651 -0.501) 0.853 19.126 ( -12.816 5.355 14.422) 20.022 19.303 ( -1.552 -0.805 1.028) 2.028 27.809 ( -2.958 -2.529 2.705) 4.739 28.145 ( -0.526 0.383 -1.229) 1.391 28.240 ( 12.710 -3.342 1.107) 13.189 29.688 ( 83.357 38.317 -51.666) 105.290 31.490 ( 1.304 -4.603 0.787) 4.849 32.145 ( 2.492 -50.280 -30.541) 58.881 35.260 ( -29.297 12.653 28.334) 42.676 35.349 ( -8.016 1.461 6.621) 10.499 ======================= Grid point 127 (39/144) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 17.825 -6.536 0.985) 19.011 1.116 ( 16.679 -11.084 6.025) 20.913 1.736 ( 10.057 1.993 -1.157) 10.318 2.202 ( 39.794 -3.046 11.689) 41.587 2.351 ( 15.767 -5.359 2.238) 16.803 2.583 ( 13.415 0.808 0.498) 13.449 3.443 ( -4.988 -7.354 -10.576) 13.814 3.767 ( 5.313 -2.696 1.444) 6.130 3.811 ( -11.718 5.599 9.025) 15.815 4.415 ( -10.349 -1.248 -6.998) 12.555 4.827 ( 0.817 -6.138 10.733) 12.391 5.315 ( 25.669 7.581 -8.004) 27.936 5.746 ( 5.739 8.668 7.544) 12.844 5.976 ( 17.247 1.603 -6.176) 18.390 6.404 ( 0.662 -5.367 -4.131) 6.805 6.787 ( 1.065 -8.130 -18.324) 20.075 8.229 ( -18.253 16.015 9.527) 26.084 8.606 ( -13.474 6.329 1.331) 14.945 12.327 ( -1.465 -0.938 2.112) 2.736 12.718 ( -3.781 -0.098 -2.400) 4.480 13.668 ( 4.916 2.322 2.777) 6.105 13.975 ( 5.328 -1.546 -1.448) 5.733 16.718 ( 0.048 -0.403 -0.586) 0.713 16.742 ( 1.320 1.139 -2.548) 3.087 16.952 ( 0.140 -0.540 -0.275) 0.622 16.997 ( -0.149 -6.888 -4.740) 8.363 18.967 ( -4.325 0.802 9.589) 10.550 19.283 ( -1.900 -0.824 0.392) 2.107 27.787 ( -2.350 -1.700 2.256) 3.675 28.112 ( -3.802 -1.705 -1.707) 4.503 28.575 ( 21.986 -1.289 3.325) 22.273 30.151 ( 34.533 41.161 -21.640) 57.923 31.588 ( 2.432 -6.271 0.574) 6.751 32.717 ( 4.556 -37.374 -43.075) 57.211 34.743 ( -17.744 4.761 33.639) 38.329 35.219 ( -7.456 2.490 2.592) 8.277 ======================= Grid point 128 (40/144) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 12.019 -8.761 0.127) 14.874 1.479 ( 16.499 0.430 7.398) 18.087 1.872 ( 7.802 -0.000 -6.573) 10.202 2.410 ( -0.646 0.572 -4.092) 4.182 2.897 ( 33.530 -3.456 6.192) 34.272 3.015 ( 24.676 -3.563 1.323) 24.967 3.510 ( -0.516 -10.889 -8.035) 13.542 3.535 ( -11.032 3.258 7.286) 13.617 3.827 ( -1.318 -1.388 2.561) 3.197 4.250 ( -10.479 -2.565 -2.006) 10.973 4.898 ( 1.320 -3.509 8.177) 8.996 5.669 ( 20.670 5.743 -0.055) 21.453 5.774 ( 9.141 4.706 1.784) 10.434 6.293 ( 17.933 -2.713 -4.760) 18.752 6.461 ( 0.588 -2.757 -2.947) 4.078 6.784 ( -5.345 -0.181 -10.383) 11.679 7.765 ( -16.586 14.497 4.959) 22.580 8.303 ( -13.075 6.020 -0.613) 14.407 12.314 ( -1.510 -1.310 1.921) 2.773 12.645 ( -3.904 1.024 -1.748) 4.398 13.733 ( 5.130 1.753 2.714) 6.062 14.075 ( 4.704 -0.732 -1.403) 4.963 16.732 ( 1.067 -0.505 -0.215) 1.200 16.762 ( 1.714 0.007 -1.201) 2.093 16.956 ( -0.332 -0.348 -0.048) 0.483 17.069 ( 0.536 -5.607 -4.457) 7.183 18.915 ( -2.021 -0.141 6.141) 6.466 19.259 ( -1.801 -0.794 -0.177) 1.977 27.767 ( -1.349 -0.331 1.873) 2.332 28.056 ( -5.100 -2.140 -1.546) 5.743 28.970 ( 22.061 -0.488 4.304) 22.483 30.184 ( 15.727 26.637 -8.771) 32.153 31.695 ( 1.495 -6.721 1.110) 6.974 33.112 ( 3.912 -22.434 -36.071) 42.658 34.507 ( -6.955 1.672 24.962) 25.967 35.044 ( -9.251 3.057 2.545) 10.070 ======================= Grid point 129 (41/144) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 6.528 -7.408 0.115) 9.875 1.618 ( 6.343 7.809 10.926) 14.853 2.025 ( 10.392 1.143 -1.944) 10.634 2.374 ( -2.458 0.509 -3.840) 4.588 3.237 ( -10.802 -2.808 0.871) 11.195 3.409 ( 21.452 -3.541 -5.358) 22.392 3.426 ( 9.036 -2.661 -4.717) 10.535 3.703 ( 8.501 1.948 5.158) 10.133 3.836 ( 2.816 -7.163 -0.082) 7.697 4.138 ( -7.899 -5.376 2.076) 9.778 4.952 ( 1.062 -2.587 6.343) 6.932 5.782 ( 8.582 7.832 1.301) 11.691 6.030 ( 14.048 -2.913 -1.849) 14.466 6.457 ( -2.886 -0.704 -1.807) 3.477 6.608 ( 12.361 -0.706 -2.919) 12.720 6.658 ( -4.262 2.450 -5.712) 7.536 7.370 ( -12.601 10.336 5.207) 17.109 8.054 ( -9.244 4.009 -2.269) 10.329 12.307 ( -1.028 -1.352 1.664) 2.378 12.571 ( -3.053 1.296 -1.238) 3.540 13.796 ( 3.857 1.058 2.465) 4.698 14.147 ( 3.039 -0.129 -1.432) 3.362 16.762 ( 1.618 -0.353 0.646) 1.777 16.800 ( 2.111 -0.905 -0.276) 2.314 16.943 ( -1.370 0.165 0.111) 1.385 17.134 ( 0.832 -3.778 -4.114) 5.647 18.892 ( -1.060 -0.235 4.472) 4.602 19.241 ( -1.238 -0.570 -0.636) 1.504 27.751 ( -0.340 0.416 1.459) 1.555 27.991 ( -4.702 -1.679 -1.321) 5.165 29.305 ( 16.074 -0.064 4.293) 16.637 30.144 ( 6.866 14.813 -3.916) 16.790 31.781 ( 0.618 -5.306 1.751) 5.621 33.360 ( 2.738 -12.721 -29.238) 32.003 34.442 ( 0.207 0.497 16.641) 16.649 34.847 ( -9.587 2.916 3.895) 10.751 ======================= Grid point 130 (42/144) ======================= q-point: ( 0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.556 -1.093 11.550) 11.615 1.631 ( 3.593 2.151 2.358) 4.806 2.154 ( 5.317 1.512 8.200) 9.889 2.332 ( -1.303 0.437 -5.529) 5.698 3.091 ( -5.958 -1.226 -4.675) 7.672 3.492 ( -0.808 -0.562 -2.895) 3.058 3.720 ( 6.565 -5.243 -8.861) 12.211 3.821 ( 9.975 4.223 0.914) 10.870 3.978 ( 3.630 -1.028 -0.947) 3.890 4.086 ( -5.409 -5.426 3.662) 8.491 4.987 ( 0.399 -1.228 5.755) 5.898 5.836 ( 4.604 3.662 -4.346) 7.314 6.243 ( 7.758 -1.751 -0.239) 7.957 6.362 ( -6.962 -0.374 0.461) 6.987 6.547 ( -1.969 2.236 -0.502) 3.022 6.802 ( 5.534 -0.276 -2.284) 5.994 7.143 ( -4.484 3.568 5.310) 7.812 7.914 ( -3.361 1.373 -3.237) 4.864 12.307 ( -0.325 -0.647 1.456) 1.626 12.522 ( -1.196 0.637 -0.918) 1.637 13.835 ( 1.428 0.353 2.316) 2.743 14.182 ( 1.032 0.025 -1.444) 1.775 16.785 ( 0.677 -0.122 1.345) 1.511 16.852 ( 2.609 -1.099 0.112) 2.834 16.906 ( -2.318 0.744 0.171) 2.440 17.174 ( 0.402 -1.351 -3.923) 4.168 18.882 ( -0.345 -0.095 3.785) 3.802 19.231 ( -0.435 -0.205 -0.899) 1.020 27.746 ( 0.124 0.306 1.148) 1.194 27.944 ( -2.051 -0.659 -1.147) 2.440 29.498 ( 6.028 -0.068 3.890) 7.175 30.106 ( 1.721 4.868 -1.996) 5.535 31.828 ( 0.159 -2.023 2.191) 2.986 33.485 ( 0.971 -4.262 -25.211) 25.587 34.487 ( 4.080 -0.510 8.409) 9.360 34.670 ( -7.150 1.852 8.094) 10.958 ======================= Grid point 137 (43/144) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 16.555 -0.000 9.535) 19.105 0.977 ( 27.514 -0.000 -0.022) 27.514 1.780 ( 8.017 -0.000 1.883) 8.236 2.118 ( 41.061 -0.000 24.262) 47.693 2.320 ( 20.879 -0.000 -8.460) 22.528 2.600 ( 10.270 -0.000 -4.178) 11.087 3.355 ( -6.069 0.000 -10.649) 12.257 3.735 ( 6.498 -0.000 1.088) 6.588 3.896 ( -13.875 0.000 13.341) 19.248 4.414 ( -9.523 0.000 -5.660) 11.078 4.730 ( 3.174 -0.000 10.117) 10.603 5.440 ( 24.868 -0.000 -8.710) 26.349 5.881 ( 2.716 -0.000 10.828) 11.163 6.119 ( 4.399 -0.000 -4.855) 6.552 6.219 ( 11.066 -0.000 -23.956) 26.388 6.628 ( 7.696 -0.000 -12.003) 14.258 8.440 ( -23.187 0.000 13.154) 26.658 8.661 ( -15.518 0.000 1.007) 15.551 12.327 ( -0.827 0.000 1.871) 2.046 12.711 ( -2.695 0.000 -2.118) 3.427 13.698 ( 4.073 -0.000 3.164) 5.158 13.957 ( 6.278 -0.000 -1.246) 6.400 16.712 ( 0.111 -0.000 -0.410) 0.425 16.796 ( 2.845 -0.000 -8.104) 8.589 16.858 ( -0.861 0.000 0.472) 0.982 16.948 ( 0.302 -0.000 -0.433) 0.528 18.979 ( -5.997 0.000 10.356) 11.967 19.271 ( -1.887 0.000 0.240) 1.902 27.766 ( -0.887 0.000 2.461) 2.616 28.090 ( -4.265 0.000 -1.613) 4.560 28.561 ( 22.984 -0.000 3.387) 23.232 30.931 ( 14.119 -0.000 -43.706) 45.930 31.756 ( 33.846 -0.000 -36.693) 49.920 31.772 ( -0.733 0.000 -2.358) 2.469 34.803 ( -23.244 0.000 41.058) 47.181 35.246 ( -7.549 0.000 2.440) 7.933 ======================= Grid point 138 (44/144) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 17.795 -0.235 1.800) 17.887 1.472 ( 27.636 -0.904 -2.884) 27.800 1.896 ( 6.503 1.642 4.515) 8.085 2.425 ( -0.027 0.494 -6.188) 6.207 2.785 ( 31.880 -3.635 17.076) 36.348 3.011 ( 29.254 0.738 -7.435) 30.193 3.305 ( -2.190 -5.704 -11.222) 12.778 3.629 ( -13.011 3.643 13.140) 18.848 3.802 ( -0.096 -1.440 1.186) 1.868 4.236 ( -9.982 0.567 -0.104) 9.999 4.821 ( 4.324 -2.557 7.437) 8.974 5.797 ( 19.172 5.210 -2.406) 20.012 5.897 ( 3.562 4.687 1.136) 5.996 6.268 ( 16.415 0.551 -4.121) 16.934 6.379 ( 3.338 -4.487 -7.850) 9.638 6.702 ( -2.725 -4.644 -9.555) 10.967 8.031 ( -19.438 8.072 6.124) 21.921 8.364 ( -18.138 0.061 0.053) 18.138 12.310 ( -0.715 0.434 1.783) 1.969 12.660 ( -3.205 0.248 -1.898) 3.733 13.763 ( 4.026 0.778 3.208) 5.206 14.066 ( 5.926 -0.178 -1.112) 6.032 16.725 ( 1.410 -0.125 -0.368) 1.463 16.797 ( 1.651 3.578 -2.125) 4.477 16.920 ( 1.180 -7.002 -3.901) 8.102 16.951 ( -0.210 -0.255 -0.340) 0.474 18.914 ( -2.207 0.021 6.353) 6.725 19.240 ( -1.985 -0.626 -0.225) 2.094 27.761 ( -0.135 -0.162 1.908) 1.920 28.014 ( -5.271 -1.212 -1.226) 5.546 28.964 ( 23.039 -0.104 4.776) 23.529 30.797 ( -1.872 21.293 -14.378) 25.760 31.690 ( 5.811 8.212 -2.083) 10.274 32.521 ( 18.805 -27.544 -40.643) 52.575 34.528 ( -9.537 0.367 31.894) 33.291 35.090 ( -9.800 1.077 2.264) 10.115 ======================= Grid point 139 (45/144) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 14.472 1.165 -2.781) 14.783 1.822 ( 13.358 9.030 10.470) 19.225 2.016 ( 11.620 -1.542 -2.588) 12.004 2.395 ( -1.862 1.130 -6.106) 6.483 3.155 ( -1.523 -4.031 0.188) 4.313 3.280 ( 4.416 -2.589 -5.021) 7.171 3.489 ( 15.390 -1.271 -0.178) 15.444 3.575 ( 11.971 -2.814 6.823) 14.063 3.807 ( 2.508 -1.143 0.973) 2.923 4.093 ( -5.554 0.179 4.067) 6.886 4.902 ( 2.516 -1.366 6.002) 6.650 5.922 ( 5.073 4.168 -2.583) 7.056 6.018 ( 12.862 2.247 0.233) 13.059 6.431 ( -0.779 -1.628 -2.919) 3.432 6.577 ( 15.503 -1.318 -3.229) 15.891 6.649 ( -7.563 -3.103 -6.100) 10.200 7.612 ( -16.701 10.797 3.672) 20.223 8.077 ( -15.848 -1.730 -1.105) 15.981 12.298 ( -0.087 0.358 1.726) 1.765 12.601 ( -2.624 1.127 -1.512) 3.232 13.815 ( 2.796 0.590 2.824) 4.018 14.151 ( 3.975 0.362 -1.233) 4.177 16.760 ( 2.329 0.127 0.276) 2.349 16.798 ( 1.780 1.181 -0.266) 2.153 16.943 ( -1.099 -0.315 -0.242) 1.169 17.020 ( 1.991 -5.901 -3.999) 7.401 18.891 ( -0.686 0.086 4.362) 4.417 19.219 ( -1.551 -1.094 -0.620) 1.996 27.761 ( 0.229 0.402 1.333) 1.411 27.943 ( -4.990 -2.174 -0.900) 5.516 29.309 ( 16.604 0.321 5.087) 17.368 30.532 ( -3.507 17.502 -6.838) 19.115 31.739 ( 5.941 2.103 -0.024) 6.302 33.014 ( 11.341 -17.529 -31.803) 38.044 34.440 ( -1.493 -0.458 21.414) 21.471 34.898 ( -10.653 1.632 2.775) 11.129 ======================= Grid point 140 (46/144) ======================= q-point: ( 0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 4.960 2.806 0.640) 5.735 1.843 ( 7.889 12.595 9.783) 17.793 2.188 ( 3.975 1.446 6.826) 8.030 2.348 ( -1.789 0.988 -6.071) 6.406 3.070 ( -2.460 -0.840 -3.161) 4.093 3.456 ( 3.892 -5.919 -10.261) 12.468 3.565 ( 2.723 -1.233 -3.537) 4.631 3.853 ( 1.260 -2.625 1.675) 3.359 3.940 ( 9.316 -7.065 7.223) 13.743 4.075 ( 8.298 6.882 1.930) 10.952 4.950 ( 1.857 -1.364 5.431) 5.899 5.948 ( 2.425 5.056 -7.109) 9.054 6.201 ( 9.086 -1.014 1.668) 9.294 6.356 ( -8.173 -0.274 -0.181) 8.180 6.560 ( -5.137 -1.548 -2.234) 5.811 6.774 ( 4.813 -1.733 -2.459) 5.676 7.272 ( -9.883 7.914 4.437) 13.416 7.883 ( -10.304 -4.134 -2.287) 11.336 12.302 ( 0.992 0.247 1.589) 1.890 12.552 ( -1.038 1.732 -1.119) 2.309 13.839 ( 0.400 0.085 2.527) 2.560 14.192 ( 1.649 0.778 -1.423) 2.313 16.786 ( 0.926 0.278 1.032) 1.414 16.837 ( 3.185 -0.071 0.358) 3.206 16.918 ( -1.929 0.166 -0.191) 1.946 17.109 ( 1.767 -4.149 -3.620) 5.783 18.885 ( 0.215 0.338 3.515) 3.538 19.212 ( -0.835 -1.287 -0.886) 1.772 27.757 ( -0.105 0.680 0.945) 1.169 27.904 ( -2.338 -2.610 -0.811) 3.597 29.502 ( 6.147 0.373 4.482) 7.617 30.299 ( -5.279 11.238 -3.581) 12.922 31.829 ( 6.881 2.185 1.359) 7.346 33.322 ( 7.633 -9.983 -25.232) 28.188 34.469 ( 3.381 -1.082 12.332) 12.833 34.703 ( -9.834 1.245 5.065) 11.131 ======================= Grid point 141 (47/144) ======================= q-point: ( 0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.668 2.156 9.410) 9.677 1.836 ( 7.542 14.752 2.978) 16.834 2.123 ( -9.061 -1.169 8.786) 12.676 2.333 ( 1.394 0.687 -3.652) 3.969 3.127 ( 8.894 2.121 -6.038) 10.957 3.517 ( 3.263 1.599 -2.015) 4.155 3.600 ( -7.975 -6.176 -2.442) 10.378 3.904 ( -4.295 -5.528 -0.815) 7.047 3.948 ( -2.149 3.262 -5.258) 6.550 4.229 ( 13.262 7.276 2.725) 15.370 4.994 ( 1.854 -0.183 5.251) 5.572 5.835 ( -9.645 3.640 -4.550) 11.269 6.242 ( -4.579 -1.914 -2.333) 5.484 6.362 ( 6.758 -0.944 0.633) 6.853 6.496 ( -4.115 -1.806 1.363) 4.696 6.777 ( -6.621 -2.396 -1.792) 7.265 7.121 ( -1.539 1.708 5.043) 5.542 7.826 ( -3.271 -6.502 -2.746) 7.779 12.324 ( 2.144 0.807 1.427) 2.699 12.533 ( 1.060 1.543 -0.871) 2.065 13.824 ( -2.463 -0.552 2.396) 3.480 14.192 ( -0.441 0.911 -1.607) 1.899 16.789 ( -0.193 0.237 1.108) 1.150 16.872 ( -2.132 0.535 0.087) 2.200 16.897 ( 2.783 0.067 0.373) 2.809 17.165 ( 0.710 -1.968 -3.416) 4.006 18.889 ( 0.892 0.582 3.382) 3.546 19.219 ( -0.023 -1.208 -0.952) 1.538 27.744 ( -0.510 0.196 0.975) 1.118 27.926 ( 1.731 -2.125 -1.099) 2.953 29.503 ( -5.644 0.296 3.824) 6.824 30.105 ( -7.602 4.166 -2.255) 8.957 31.911 ( 7.211 5.328 2.277) 9.250 33.502 ( 5.283 -2.661 -22.711) 23.469 34.498 ( -4.845 0.657 5.272) 7.190 34.620 ( 3.881 -2.637 9.402) 10.508 ======================= Grid point 142 (48/144) ======================= q-point: (-0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -1.556 -0.346 9.120) 9.258 1.751 ( 3.540 17.725 0.233) 18.077 1.970 ( -10.498 -3.226 3.102) 11.412 2.375 ( 3.672 0.522 -1.411) 3.968 3.292 ( 12.547 2.533 -2.108) 12.972 3.360 ( -20.981 -2.008 -2.210) 21.192 3.611 ( -11.162 6.763 -6.363) 14.519 3.635 ( -2.290 -1.840 7.484) 8.040 3.989 ( 2.050 4.551 -6.738) 8.385 4.312 ( 8.116 9.328 -0.727) 12.386 5.003 ( 0.318 2.189 5.379) 5.816 5.632 ( -12.805 -4.487 3.472) 14.006 6.101 ( -13.838 2.613 -4.238) 14.707 6.462 ( 3.625 -0.327 -1.436) 3.913 6.516 ( 0.948 -7.320 -2.857) 7.915 6.632 ( -11.325 -1.008 -1.803) 11.512 7.182 ( 5.668 -6.351 6.277) 10.577 7.910 ( 3.066 -8.705 -2.499) 9.561 12.352 ( 2.984 2.342 1.374) 4.035 12.557 ( 2.992 0.342 -0.897) 3.142 13.770 ( -4.916 -1.253 2.428) 5.624 14.160 ( -2.114 1.017 -1.781) 2.945 16.774 ( -0.917 0.679 0.676) 1.326 16.822 ( -2.415 0.906 -0.376) 2.607 16.942 ( 2.170 0.112 0.596) 2.253 17.176 ( -0.524 0.141 -3.449) 3.492 18.902 ( 1.423 0.708 3.882) 4.194 19.237 ( 0.760 -0.936 -0.757) 1.424 27.744 ( 0.756 -0.115 1.299) 1.507 27.998 ( 4.230 -1.215 -1.552) 4.666 29.313 ( -15.486 0.602 3.703) 15.934 29.940 ( -11.929 -3.726 -2.466) 12.738 31.947 ( 6.391 9.420 2.602) 11.677 33.558 ( 3.014 5.319 -24.500) 25.251 34.418 ( -3.018 -1.497 11.868) 12.337 34.774 ( 8.276 -3.651 4.367) 10.044 ======================= Grid point 143 (49/144) ======================= q-point: (-0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -7.941 4.286 4.932) 10.283 1.590 ( 2.315 18.476 2.965) 18.855 1.859 ( -6.594 -2.150 -7.165) 9.972 2.415 ( 1.116 1.208 -0.942) 1.895 2.886 ( -35.329 -1.781 -1.350) 35.399 3.188 ( -20.124 8.945 7.686) 23.325 3.506 ( 12.013 1.053 3.164) 12.468 3.700 ( 3.271 4.404 -6.677) 8.642 3.928 ( 1.650 8.501 0.306) 8.665 4.351 ( 8.024 6.177 -5.318) 11.438 4.966 ( -0.498 3.300 6.378) 7.198 5.497 ( -13.853 -8.832 7.859) 18.212 5.751 ( -21.183 1.197 -2.435) 21.357 6.369 ( -14.207 3.352 -5.006) 15.432 6.504 ( 0.269 1.226 -1.865) 2.248 6.682 ( 4.318 -8.703 -7.049) 12.004 7.441 ( 10.646 -14.249 5.817) 18.714 8.111 ( 7.545 -10.882 -1.820) 13.366 12.373 ( 3.493 3.780 1.451) 5.347 12.622 ( 4.076 -0.800 -1.246) 4.337 13.691 ( -6.204 -1.974 2.564) 6.997 14.100 ( -3.295 1.437 -1.924) 4.078 16.748 ( -0.837 0.956 -0.068) 1.273 16.775 ( -1.917 0.818 -0.835) 2.245 16.965 ( 0.951 0.469 0.430) 1.144 17.150 ( -1.171 1.734 -3.728) 4.275 18.922 ( 1.859 0.595 5.166) 5.522 19.264 ( 1.363 -0.549 -0.309) 1.502 27.774 ( 2.744 0.322 1.656) 3.221 28.084 ( 4.686 -0.024 -1.885) 5.051 28.987 ( -20.828 1.043 3.759) 21.190 29.762 ( -19.415 -11.560 -4.112) 22.967 31.918 ( 4.589 12.817 2.464) 13.835 33.490 ( 0.848 12.593 -28.292) 30.980 34.450 ( 3.622 -3.557 17.394) 18.120 34.961 ( 8.311 -4.237 2.233) 9.592 ======================= Grid point 144 (50/144) ======================= q-point: (-0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -11.552 16.150 -4.738) 20.414 1.430 ( 1.186 18.297 10.278) 21.020 1.733 ( -10.170 1.305 -9.238) 13.801 2.203 ( -35.141 -0.952 1.727) 35.197 2.453 ( -4.117 0.400 2.120) 4.648 2.690 ( -23.985 12.025 13.221) 29.911 3.624 ( 3.744 6.671 -10.228) 12.772 3.745 ( 10.907 1.354 3.475) 11.527 3.853 ( -3.398 5.509 2.328) 6.879 4.461 ( 8.723 1.856 -10.352) 13.663 4.926 ( 0.098 3.582 7.944) 8.714 5.214 ( -22.629 -2.733 -3.218) 23.019 5.557 ( -7.620 -8.040 12.600) 16.777 6.037 ( -18.026 6.336 -7.943) 20.692 6.482 ( -0.418 2.240 -1.142) 2.549 6.822 ( 2.329 -4.920 -12.030) 13.204 7.825 ( 11.742 -19.687 6.346) 23.785 8.388 ( 9.221 -12.568 -0.695) 15.603 12.387 ( 3.435 4.377 1.492) 5.761 12.706 ( 4.272 -1.078 -1.974) 4.828 13.611 ( -5.863 -2.655 2.593) 6.939 14.018 ( -3.717 2.267 -2.039) 4.808 16.725 ( -1.213 0.306 -1.006) 1.605 16.746 ( -0.098 0.944 -0.801) 1.242 16.965 ( -0.003 0.745 0.169) 0.764 17.105 ( -0.969 2.811 -4.381) 5.295 18.955 ( 2.431 -0.160 7.621) 8.001 19.293 ( 1.578 -0.116 0.333) 1.617 27.827 ( 4.654 1.687 1.896) 5.301 28.146 ( 2.688 0.898 -1.812) 3.364 28.614 ( -19.662 2.097 3.119) 20.018 29.509 ( -30.198 -17.789 -7.231) 35.786 31.826 ( 2.348 14.421 2.115) 14.763 33.321 ( 0.029 19.348 -33.416) 38.613 34.621 ( 10.340 -6.052 21.705) 24.792 35.140 ( 6.773 -4.466 1.840) 8.319 ======================= Grid point 145 (51/144) ======================= q-point: (-0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -9.502 20.167 -5.842) 23.046 1.141 ( -14.544 17.915 10.869) 25.507 1.483 ( -12.665 6.940 16.022) 21.570 1.711 ( -14.339 3.563 -1.989) 14.909 2.086 ( -23.403 16.181 14.622) 31.990 2.485 ( -0.135 -4.135 -2.093) 4.637 3.609 ( 3.893 7.304 -7.191) 10.964 3.690 ( -7.237 5.027 2.526) 9.167 3.915 ( 6.334 -2.960 3.577) 7.853 4.532 ( -3.008 -3.439 -20.510) 21.013 4.880 ( 3.200 6.075 1.588) 7.048 4.995 ( -2.880 3.195 4.726) 6.390 5.502 ( -14.585 -2.389 -1.109) 14.821 5.686 ( -12.101 -2.830 6.205) 13.890 6.449 ( 0.054 2.969 1.032) 3.144 6.841 ( -0.973 4.601 -21.139) 21.656 8.255 ( 9.941 -24.437 11.290) 28.696 8.671 ( 6.699 -12.666 0.959) 14.360 12.391 ( 2.377 4.149 1.369) 4.974 12.784 ( 3.563 -0.494 -3.441) 4.978 13.558 ( -3.857 -3.062 2.100) 5.354 13.930 ( -2.813 3.120 -2.150) 4.719 16.707 ( -0.826 -0.511 -0.807) 1.262 16.743 ( 0.634 1.040 -0.478) 1.308 16.953 ( -0.379 0.757 -0.223) 0.876 17.060 ( -0.034 3.679 -5.576) 6.680 19.020 ( 3.520 -3.139 11.757) 12.667 19.317 ( 1.245 0.241 1.129) 1.698 27.878 ( 3.026 3.056 2.340) 4.896 28.149 ( -0.056 0.691 -0.416) 0.808 28.336 ( -6.698 4.565 0.151) 8.107 29.080 ( -42.858 -15.404 -10.513) 46.740 31.693 ( 0.604 13.505 1.789) 13.637 33.060 ( -0.030 28.862 -40.765) 49.948 34.939 ( 14.119 -13.504 24.260) 31.149 35.282 ( 4.115 -4.297 2.695) 6.531 ======================= Grid point 146 (52/144) ======================= q-point: (-0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -0.000 14.067 12.683) 18.940 0.696 ( -0.000 6.976 17.302) 18.655 1.220 ( -0.000 21.410 35.409) 41.379 1.546 ( -0.000 6.545 1.556) 6.728 1.679 ( -0.000 9.158 4.372) 10.148 2.541 ( 0.000 -4.618 -4.306) 6.314 3.564 ( -0.000 3.249 4.049) 5.192 3.581 ( -0.000 5.842 -4.089) 7.131 4.032 ( 0.000 -10.408 6.125) 12.076 4.514 ( 0.000 -5.099 -23.358) 23.908 4.879 ( -0.000 11.525 14.328) 18.387 4.956 ( -0.000 6.574 -11.100) 12.901 5.184 ( -0.000 3.136 -13.613) 13.969 5.712 ( 0.000 -9.003 20.006) 21.938 6.421 ( -0.000 2.823 3.584) 4.562 6.678 ( -0.000 21.973 -30.760) 37.803 8.668 ( 0.000 -30.016 14.646) 33.399 8.866 ( 0.000 -11.664 3.691) 12.234 12.373 ( -0.000 2.989 1.444) 3.319 12.818 ( -0.000 1.150 -5.452) 5.572 13.554 ( 0.000 -2.672 1.267) 2.957 13.868 ( -0.000 3.114 -2.087) 3.749 16.707 ( 0.000 -0.651 0.171) 0.673 16.738 ( -0.000 0.940 -0.169) 0.955 16.939 ( -0.000 0.848 -0.690) 1.093 17.016 ( -0.000 5.480 -6.608) 8.585 19.145 ( 0.000 -11.041 14.500) 18.225 19.328 ( 0.000 -0.003 2.233) 2.233 27.849 ( -0.000 1.768 3.547) 3.963 28.203 ( -0.000 1.715 -0.643) 1.832 28.274 ( -0.000 6.933 -6.283) 9.356 28.538 ( -0.000 1.812 -3.933) 4.330 31.566 ( -0.000 9.856 1.543) 9.976 32.665 ( -0.000 43.459 -44.893) 62.483 35.296 ( 0.000 -16.014 11.981) 19.999 35.396 ( 0.000 -13.694 12.480) 18.528 ======================= Grid point 149 (53/144) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 16.339 -0.000 -4.638) 16.985 1.931 ( 24.562 -0.000 -3.096) 24.756 1.995 ( 4.664 -0.000 10.764) 11.730 2.410 ( -1.795 0.000 -6.915) 7.144 3.112 ( -0.461 0.000 2.705) 2.744 3.261 ( 1.608 -0.000 -9.901) 10.030 3.381 ( 18.726 -0.000 11.435) 21.941 3.693 ( 20.993 -0.000 2.102) 21.098 3.722 ( -6.822 0.000 -0.376) 6.832 4.092 ( -7.399 0.000 5.139) 9.009 4.894 ( 4.659 -0.000 5.209) 6.988 5.971 ( 3.190 -0.000 -4.835) 5.792 6.064 ( 10.435 -0.000 0.916) 10.475 6.402 ( 1.196 -0.000 -4.548) 4.703 6.562 ( 15.769 -0.000 -3.463) 16.145 6.594 ( -6.867 0.000 -4.148) 8.022 7.765 ( -16.777 0.000 3.189) 17.077 8.028 ( -19.880 0.000 -0.589) 19.889 12.306 ( -0.068 0.000 1.611) 1.613 12.614 ( -2.302 0.000 -1.590) 2.798 13.821 ( 2.334 -0.000 3.075) 3.861 14.156 ( 4.351 -0.000 -1.181) 4.508 16.762 ( 2.770 -0.000 0.066) 2.771 16.842 ( 0.049 -0.000 0.643) 0.645 16.903 ( 1.772 -0.000 -3.547) 3.965 16.954 ( 1.487 -0.000 -1.536) 2.138 18.892 ( -0.487 0.000 4.164) 4.192 19.205 ( -1.664 0.000 -0.627) 1.778 27.766 ( 0.652 -0.000 1.214) 1.378 27.916 ( -5.222 0.000 -0.706) 5.270 29.313 ( 16.841 -0.000 5.457) 17.703 30.752 ( -11.327 0.000 -7.727) 13.712 31.812 ( 4.420 -0.000 -1.585) 4.696 32.754 ( 21.007 -0.000 -32.649) 38.823 34.433 ( -2.079 0.000 23.434) 23.526 34.916 ( -11.002 0.000 2.221) 11.224 ======================= Grid point 150 (54/144) ======================= q-point: ( 0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.633 2.185 -4.701) 8.419 2.075 ( 9.750 6.451 10.134) 15.472 2.211 ( 4.108 0.517 4.862) 6.386 2.371 ( -1.105 0.839 -5.194) 5.377 3.049 ( 1.699 -0.900 -4.022) 4.458 3.326 ( 3.843 -3.121 -8.749) 10.053 3.607 ( -2.558 1.843 -0.974) 3.300 3.739 ( 14.184 -5.830 8.762) 17.662 3.920 ( -2.139 5.684 6.553) 8.935 4.109 ( 13.618 -4.202 -0.435) 14.258 4.955 ( 3.687 1.291 4.177) 5.719 6.021 ( 3.434 1.603 -9.245) 9.991 6.213 ( 8.309 1.266 1.598) 8.556 6.350 ( -8.928 -0.187 -0.319) 8.936 6.494 ( -5.723 -3.035 -1.877) 6.744 6.745 ( 4.207 -0.736 -2.523) 4.961 7.468 ( -11.756 8.650 2.396) 14.791 7.748 ( -16.251 -7.091 -0.441) 17.736 12.312 ( 1.202 0.399 1.606) 2.045 12.583 ( -0.650 0.845 -1.265) 1.654 13.840 ( -0.207 0.007 2.807) 2.814 14.208 ( 1.962 0.451 -1.468) 2.492 16.799 ( 1.223 0.723 0.692) 1.580 16.849 ( 2.749 0.980 0.332) 2.937 16.909 ( -1.616 -0.983 -0.519) 1.962 17.023 ( 3.554 -2.726 -2.867) 5.318 18.893 ( 0.657 0.290 3.030) 3.114 19.186 ( -1.097 -0.805 -0.879) 1.620 27.776 ( 0.661 0.937 0.564) 1.277 27.848 ( -3.291 -1.946 -0.393) 3.844 29.510 ( 6.066 0.279 5.010) 7.872 30.509 ( -12.107 5.889 -5.157) 14.417 31.908 ( 9.638 3.593 -0.133) 10.287 33.107 ( 14.461 -7.198 -23.743) 28.717 34.447 ( 2.932 -0.695 14.681) 14.987 34.724 ( -11.007 0.528 2.911) 11.397 ======================= Grid point 151 (55/144) ======================= q-point: ( 0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.217 4.072 4.398) 5.997 2.067 ( -11.006 0.565 6.963) 13.036 2.188 ( 9.180 10.593 4.736) 14.796 2.365 ( 1.655 2.048 -1.619) 3.091 3.186 ( 11.975 3.197 -7.221) 14.345 3.451 ( 3.540 -6.454 -8.322) 11.110 3.592 ( 0.585 3.022 -2.128) 3.742 3.805 ( -3.801 -0.455 6.978) 7.959 3.909 ( -2.001 -5.815 3.028) 6.855 4.354 ( 13.127 2.311 -1.171) 13.380 5.013 ( 5.551 2.337 3.930) 7.192 5.961 ( -10.164 6.721 -6.924) 14.016 6.181 ( -5.967 -3.151 -3.408) 7.559 6.335 ( 4.375 -0.751 0.371) 4.454 6.447 ( -4.122 -3.370 0.965) 5.411 6.718 ( -8.494 -2.266 -0.898) 8.837 7.218 ( -6.681 6.908 4.058) 10.432 7.641 ( -7.507 -9.872 -0.882) 12.433 12.341 ( 2.859 0.643 1.543) 3.312 12.575 ( 1.346 1.794 -0.983) 2.449 13.813 ( -3.137 -0.383 2.640) 4.117 14.214 ( -0.170 0.904 -1.812) 2.032 16.798 ( -0.104 0.594 0.635) 0.876 16.881 ( -1.850 0.173 -0.114) 1.861 16.901 ( 3.179 0.244 0.578) 3.241 17.105 ( 2.121 -2.909 -2.430) 4.344 18.905 ( 1.391 0.762 2.613) 3.057 19.186 ( -0.436 -1.518 -0.994) 1.866 27.758 ( -0.620 1.142 0.491) 1.389 27.865 ( 1.368 -3.090 -0.692) 3.450 29.510 ( -5.492 0.354 4.135) 6.884 30.230 ( -13.097 5.607 -3.616) 14.698 32.049 ( 12.718 6.493 1.512) 14.359 33.393 ( 10.629 -6.032 -18.698) 22.338 34.514 ( -2.823 0.650 4.499) 5.352 34.565 ( -0.811 -2.044 7.962) 8.260 ======================= Grid point 152 (56/144) ======================= q-point: (-0.55 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.567 4.471 7.162) 8.462 1.862 ( -13.326 -4.091 7.684) 15.917 2.186 ( 7.994 17.348 -0.673) 19.113 2.398 ( 4.662 1.741 -0.094) 4.977 3.349 ( -16.367 1.053 -1.293) 16.451 3.352 ( 8.883 2.572 -5.888) 10.963 3.621 ( -3.238 0.786 7.795) 8.477 3.690 ( -2.933 0.810 -3.833) 4.894 4.006 ( 7.494 -3.127 -5.095) 9.586 4.488 ( 6.944 5.427 -3.651) 9.539 5.072 ( 5.078 4.602 3.547) 7.717 5.624 ( -18.039 3.678 3.492) 18.738 6.113 ( -11.620 -1.758 -9.459) 15.086 6.343 ( -5.283 -6.536 -1.469) 8.532 6.469 ( 3.416 0.017 0.956) 3.547 6.573 ( -10.089 -4.178 -0.586) 10.935 7.103 ( -2.474 -0.794 6.501) 7.001 7.693 ( 0.122 -10.303 -1.350) 10.392 12.393 ( 4.374 1.278 1.356) 4.754 12.589 ( 2.954 2.243 -0.800) 3.794 13.745 ( -5.609 -0.965 2.641) 6.275 14.186 ( -1.637 1.243 -2.147) 2.973 16.786 ( -0.757 0.314 0.322) 0.880 16.839 ( -2.153 0.779 -0.324) 2.312 16.948 ( 2.494 0.358 0.877) 2.668 17.152 ( 0.168 -1.943 -2.292) 3.009 18.922 ( 1.789 1.097 2.775) 3.479 19.203 ( 0.235 -1.937 -0.924) 2.159 27.750 ( 1.169 0.749 0.823) 1.614 27.945 ( 3.631 -3.286 -1.313) 5.070 29.327 ( -14.864 0.644 3.616) 15.311 29.942 ( -15.582 2.522 -2.910) 16.050 32.176 ( 12.738 10.756 2.525) 16.862 33.598 ( 8.262 -1.382 -18.213) 20.047 34.388 ( -6.557 -1.002 7.807) 10.245 34.696 ( 7.593 -3.170 3.793) 9.060 ======================= Grid point 153 (57/144) ======================= q-point: (-0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.284 5.739 6.622) 8.767 1.746 ( -6.150 -6.115 -0.402) 8.682 2.089 ( 6.018 21.360 -1.678) 22.255 2.458 ( 3.777 2.647 1.557) 4.868 2.876 ( -34.006 1.260 -2.411) 34.115 3.320 ( -15.510 2.115 9.244) 18.179 3.567 ( 10.971 4.186 0.485) 11.752 3.770 ( 7.700 3.809 -4.545) 9.719 4.110 ( 4.710 5.590 -4.876) 8.787 4.479 ( 0.040 4.633 -8.267) 9.477 5.074 ( 2.710 6.751 2.535) 7.704 5.348 ( -13.673 -3.276 12.194) 18.611 5.770 ( -25.856 -0.131 -4.834) 26.305 6.359 ( -7.052 -7.270 -5.791) 11.667 6.496 ( -0.466 -4.487 -2.959) 5.395 6.518 ( 0.495 0.033 -2.342) 2.394 7.163 ( 2.177 -10.559 8.129) 13.503 7.858 ( 4.824 -11.355 -1.757) 12.461 12.454 ( 5.293 2.933 1.067) 6.145 12.626 ( 3.716 1.432 -0.776) 4.057 13.651 ( -6.844 -1.610 2.792) 7.565 14.135 ( -2.419 1.656 -2.440) 3.814 16.763 ( -1.680 0.126 -0.232) 1.701 16.797 ( -1.225 1.334 -0.446) 1.865 16.976 ( 1.312 0.465 0.724) 1.569 17.156 ( -1.340 -0.835 -2.421) 2.890 18.942 ( 1.902 1.133 3.563) 4.195 19.234 ( 0.795 -2.019 -0.619) 2.257 27.784 ( 3.768 0.764 1.195) 4.026 28.050 ( 4.317 -2.899 -1.766) 5.492 29.014 ( -19.816 1.274 3.463) 20.157 29.636 ( -19.689 -1.267 -3.026) 19.960 32.233 ( 10.399 15.140 2.883) 18.592 33.687 ( 4.404 5.498 -20.777) 21.939 34.356 ( -0.177 -4.638 12.421) 13.260 34.868 ( 7.644 -4.015 1.232) 8.722 ======================= Grid point 154 (58/144) ======================= q-point: (-0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -1.943 9.719 4.553) 10.907 1.732 ( -4.560 -1.856 -10.803) 11.872 1.928 ( 2.460 22.581 0.779) 22.728 2.206 ( -32.799 2.450 1.191) 32.912 2.473 ( -2.822 2.959 3.172) 5.175 2.965 ( -17.545 10.859 11.380) 23.564 3.702 ( 8.608 3.020 -1.389) 9.227 3.838 ( 5.167 4.249 -2.985) 7.325 4.039 ( -1.215 10.901 -1.597) 11.084 4.458 ( -0.796 -2.293 -10.913) 11.180 5.036 ( 1.473 5.338 1.504) 5.738 5.137 ( -18.312 -2.998 5.355) 19.313 5.430 ( -10.482 -2.988 9.449) 14.425 6.183 ( -13.411 4.677 -7.769) 16.189 6.511 ( -0.873 0.486 -1.445) 1.757 6.629 ( 2.961 -10.648 -7.286) 13.238 7.393 ( 4.919 -19.046 7.257) 20.967 8.095 ( 6.717 -13.224 -1.932) 14.958 12.500 ( 5.041 5.150 0.708) 7.241 12.685 ( 3.781 -0.401 -1.081) 3.953 13.557 ( -6.331 -2.214 2.924) 7.316 14.070 ( -2.540 2.327 -2.659) 4.352 16.727 ( -2.361 -0.194 -0.566) 2.436 16.774 ( 0.343 1.518 -0.568) 1.657 16.982 ( 0.190 0.699 0.409) 0.832 17.132 ( -1.734 0.028 -2.845) 3.332 18.962 ( 1.771 0.781 5.128) 5.481 19.272 ( 1.059 -1.804 -0.101) 2.094 27.859 ( 6.123 1.305 1.508) 6.440 28.138 ( 2.592 -1.573 -1.606) 3.431 28.661 ( -18.071 2.046 2.884) 18.414 29.293 ( -24.054 -3.802 -3.702) 24.632 32.193 ( 6.691 18.378 2.832) 19.762 33.638 ( 0.996 10.520 -22.154) 24.545 34.477 ( 5.950 -7.108 13.720) 16.558 35.035 ( 6.161 -4.735 0.380) 7.779 ======================= Grid point 155 (59/144) ======================= q-point: (-0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -16.633 14.132 -5.903) 22.610 1.413 ( -19.501 9.690 5.186) 22.385 1.732 ( -0.556 8.388 -5.893) 10.266 1.903 ( 4.084 17.845 9.354) 20.558 2.409 ( -3.415 -0.985 0.908) 3.668 2.488 ( -17.721 18.360 13.372) 28.809 3.756 ( 0.938 5.765 -3.760) 6.947 3.825 ( -2.224 5.059 -2.537) 6.081 3.936 ( 5.216 6.219 2.121) 8.389 4.423 ( -9.356 -5.963 -17.057) 20.349 4.957 ( -1.663 -1.709 -1.339) 2.735 5.042 ( 2.886 0.993 4.161) 5.160 5.401 ( 0.699 -2.227 16.373) 16.538 5.827 ( -17.313 11.222 -8.427) 22.286 6.488 ( -0.814 0.709 -0.147) 1.090 6.775 ( 1.301 -8.303 -10.100) 13.139 7.718 ( 4.425 -24.313 7.121) 25.718 8.357 ( 5.119 -14.952 -1.499) 15.875 12.508 ( 3.155 6.095 0.395) 6.874 12.756 ( 3.004 -1.568 -2.040) 3.955 13.494 ( -3.931 -2.680 2.742) 5.491 14.001 ( -1.836 3.163 -2.776) 4.591 16.696 ( -1.576 -0.589 -0.128) 1.687 16.770 ( 0.796 1.370 -0.560) 1.680 16.971 ( -0.304 0.816 0.032) 0.871 17.102 ( -1.120 0.698 -3.641) 3.873 18.986 ( 1.373 -0.280 7.600) 7.728 19.306 ( 0.833 -1.327 0.548) 1.660 27.936 ( 3.171 2.316 2.319) 4.561 28.164 ( 1.448 0.418 -0.004) 1.507 28.417 ( -6.174 2.573 0.094) 6.689 28.904 ( -25.225 -2.624 -4.323) 25.727 32.063 ( 2.783 19.498 2.600) 19.866 33.509 ( 0.168 14.303 -25.346) 29.104 34.687 ( 6.923 -9.954 14.563) 18.950 35.174 ( 3.505 -5.201 0.655) 6.306 ======================= Grid point 156 (60/144) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.000 5.378 7.873) 9.535 1.050 ( -0.000 25.383 -2.221) 25.480 1.657 ( -0.000 4.596 -6.392) 7.873 1.759 ( -0.000 26.134 23.188) 34.938 2.025 ( -0.000 19.388 11.758) 22.674 2.436 ( 0.000 -4.410 -1.881) 4.794 3.659 ( -0.000 5.145 5.000) 7.175 3.744 ( -0.000 8.526 -8.580) 12.096 3.965 ( -0.000 1.117 2.094) 2.373 4.387 ( 0.000 -6.379 -21.378) 22.309 5.005 ( 0.000 -2.478 5.989) 6.481 5.085 ( -0.000 2.710 -7.034) 7.537 5.396 ( -0.000 17.590 -5.205) 18.344 5.513 ( 0.000 -6.237 16.326) 17.477 6.471 ( -0.000 1.391 1.503) 2.048 6.846 ( 0.000 -2.672 -15.695) 15.921 8.046 ( 0.000 -26.680 9.534) 28.332 8.572 ( 0.000 -15.137 -0.404) 15.142 12.471 ( -0.000 5.660 0.421) 5.676 12.805 ( 0.000 -1.684 -3.404) 3.798 13.490 ( 0.000 -2.926 2.206) 3.664 13.946 ( -0.000 3.665 -2.675) 4.537 16.691 ( 0.000 -0.836 0.411) 0.932 16.763 ( -0.000 1.299 -0.384) 1.354 16.959 ( -0.000 0.880 -0.283) 0.924 17.082 ( -0.000 1.343 -4.721) 4.908 19.014 ( 0.000 -2.390 10.548) 10.816 19.325 ( 0.000 -0.653 1.141) 1.314 27.902 ( -0.000 2.956 3.584) 4.646 28.231 ( -0.000 0.452 0.080) 0.459 28.359 ( -0.000 2.276 -2.423) 3.324 28.594 ( -0.000 3.102 -3.917) 4.996 31.876 ( -0.000 17.833 2.289) 17.980 33.326 ( -0.000 19.836 -32.376) 37.970 34.894 ( 0.000 -14.463 17.120) 22.412 35.263 ( 0.000 -5.248 1.646) 5.500 ======================= Grid point 161 (61/144) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.161 -0.000 1.502) 1.511 2.059 ( -16.063 0.000 8.762) 18.297 2.327 ( 13.397 -0.000 2.691) 13.665 2.395 ( 1.185 -0.000 -1.037) 1.575 3.242 ( 16.613 -0.000 -11.094) 19.977 3.349 ( 2.139 -0.000 -6.865) 7.191 3.638 ( 5.160 -0.000 0.035) 5.160 3.806 ( -3.134 0.000 5.450) 6.287 3.839 ( -7.306 0.000 10.583) 12.860 4.354 ( 14.092 -0.000 -2.984) 14.405 5.055 ( 7.130 -0.000 2.777) 7.651 6.082 ( 1.822 -0.000 -13.372) 13.496 6.109 ( -18.058 0.000 1.138) 18.094 6.344 ( 6.041 -0.000 -0.285) 6.048 6.377 ( -6.586 0.000 1.443) 6.742 6.693 ( -9.152 0.000 -0.420) 9.162 7.396 ( -16.358 0.000 2.696) 16.579 7.429 ( -1.418 0.000 0.930) 1.696 12.349 ( 2.888 -0.000 1.602) 3.303 12.597 ( 1.575 -0.000 -1.048) 1.892 13.809 ( -3.364 0.000 2.766) 4.355 14.225 ( -0.117 0.000 -1.902) 1.905 16.808 ( -0.550 0.000 0.373) 0.664 16.878 ( -1.388 0.000 -0.470) 1.465 16.907 ( 3.219 -0.000 0.852) 3.330 17.067 ( 2.995 -0.000 -1.865) 3.528 18.915 ( 1.639 -0.000 2.220) 2.759 19.166 ( -0.639 0.000 -0.994) 1.181 27.788 ( -1.596 0.000 -0.041) 1.597 27.812 ( 2.200 -0.000 -0.196) 2.209 29.515 ( -5.503 0.000 4.301) 6.985 30.298 ( -15.584 0.000 -4.281) 16.161 32.136 ( 14.355 -0.000 0.739) 14.374 33.310 ( 13.170 -0.000 -16.461) 21.081 34.521 ( 6.007 -0.000 8.025) 10.025 34.542 ( -10.432 0.000 3.405) 10.974 ======================= Grid point 162 (62/144) ======================= q-point: ( 0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 1.077 2.884 5.411) 6.225 1.786 ( -15.680 -2.336 11.746) 19.730 2.408 ( 2.129 2.126 -1.607) 3.411 2.495 ( 10.290 6.116 -1.579) 12.074 3.375 ( -12.745 -0.278 -8.615) 15.386 3.382 ( 1.627 1.083 -1.774) 2.639 3.681 ( -4.922 2.350 3.546) 6.506 3.708 ( 10.543 3.616 1.300) 11.221 3.879 ( 7.786 -7.114 3.939) 11.259 4.539 ( 6.881 0.186 -5.471) 8.793 5.179 ( 8.820 3.594 1.415) 9.629 5.738 ( -20.826 4.516 4.242) 21.728 6.052 ( -10.319 -2.518 -15.220) 18.559 6.254 ( -8.436 -1.462 0.528) 8.578 6.427 ( 0.006 -3.598 -4.145) 5.489 6.511 ( -7.669 -0.447 4.059) 8.689 7.128 ( -11.040 2.017 6.683) 13.062 7.498 ( 2.941 -6.079 0.166) 6.755 12.410 ( 4.543 0.374 1.526) 4.807 12.633 ( 3.321 1.236 -0.881) 3.651 13.730 ( -5.931 -0.351 2.841) 6.586 14.207 ( -1.513 0.546 -2.376) 2.869 16.789 ( -1.432 0.083 0.064) 1.436 16.855 ( -1.229 0.442 -0.534) 1.411 16.954 ( 2.297 0.152 1.118) 2.559 17.112 ( 1.179 -1.229 -1.370) 2.185 18.944 ( 2.121 0.699 1.889) 2.925 19.165 ( -0.188 -1.145 -0.999) 1.531 27.777 ( 1.525 1.385 0.226) 2.072 27.874 ( 3.223 -2.562 -0.817) 4.197 29.338 ( -14.490 0.287 3.712) 14.961 29.998 ( -18.213 1.724 -3.639) 18.653 32.373 ( 16.394 5.708 1.670) 17.439 33.538 ( 11.517 -2.604 -12.725) 17.359 34.376 ( -8.760 -0.180 4.908) 10.043 34.645 ( 7.522 -1.245 3.054) 8.213 ======================= Grid point 163 (63/144) ======================= q-point: (-0.55 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -10.064 -5.215 11.824) 16.379 1.677 ( 4.319 5.143 3.019) 7.363 2.412 ( 2.565 5.843 -3.143) 7.113 2.566 ( 7.419 8.153 -0.186) 11.025 2.922 ( -32.732 1.560 -2.254) 32.846 3.315 ( -9.833 -0.741 8.527) 13.036 3.681 ( 9.353 5.861 -1.536) 11.144 3.874 ( 10.625 4.889 -1.497) 11.792 4.111 ( 9.057 -4.981 -2.944) 10.747 4.559 ( -2.970 2.786 -9.469) 10.307 5.222 ( -2.245 5.654 1.221) 6.205 5.386 ( -8.209 5.441 10.262) 14.224 5.733 ( -27.721 -3.000 -9.178) 29.355 6.165 ( -6.564 -6.789 -3.285) 9.999 6.417 ( -2.991 -4.740 -3.384) 6.547 6.507 ( 1.068 -0.641 -2.811) 3.075 6.996 ( -5.809 -4.504 10.526) 12.839 7.647 ( 5.732 -7.136 -0.870) 9.194 12.491 ( 5.560 0.733 1.258) 5.747 12.676 ( 3.995 2.447 -0.748) 4.744 13.623 ( -7.145 -0.876 3.086) 7.832 14.167 ( -2.082 1.094 -2.797) 3.654 16.758 ( -2.390 -0.335 -0.097) 2.415 16.828 ( -0.609 1.282 -0.617) 1.547 16.982 ( 1.214 0.084 0.935) 1.535 17.129 ( -0.662 -1.213 -1.334) 1.921 18.970 ( 2.091 1.292 2.083) 3.222 19.185 ( 0.272 -2.180 -0.867) 2.362 27.811 ( 4.483 1.678 0.553) 4.819 27.973 ( 4.207 -3.622 -1.238) 5.688 29.039 ( -19.116 0.873 3.398) 19.436 29.649 ( -20.597 1.370 -3.279) 20.901 32.545 ( 14.717 12.060 2.207) 19.155 33.738 ( 8.914 -0.437 -13.513) 16.194 34.268 ( -4.847 -2.861 8.331) 10.054 34.795 ( 7.463 -2.390 0.171) 7.838 ======================= Grid point 164 (64/144) ======================= q-point: (-0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -4.487 -3.523 8.883) 10.557 1.713 ( 5.029 4.215 -3.976) 7.672 2.173 ( -34.304 2.797 1.829) 34.466 2.422 ( -1.793 10.897 -4.026) 11.754 2.614 ( 4.258 10.000 2.515) 11.156 3.122 ( -10.881 3.500 9.147) 14.639 3.785 ( 8.474 4.297 0.302) 9.507 3.947 ( 5.312 6.434 -2.116) 8.607 4.239 ( 3.061 2.533 -4.024) 5.655 4.406 ( -9.374 1.724 -11.925) 15.266 5.025 ( -11.841 -1.788 13.679) 18.180 5.199 ( -19.045 2.822 -3.354) 19.543 5.440 ( 1.977 4.142 2.220) 5.099 6.145 ( -7.623 -7.807 -5.818) 12.366 6.445 ( 0.125 -5.248 -6.500) 8.355 6.512 ( -1.131 -1.007 -4.879) 5.109 7.030 ( -1.371 -12.552 12.092) 17.483 7.841 ( 6.314 -9.243 -1.896) 11.353 12.577 ( 5.579 1.455 0.713) 5.809 12.711 ( 3.392 2.813 -0.649) 4.454 13.517 ( -6.510 -1.423 3.387) 7.475 14.116 ( -1.967 1.730 -3.107) 4.064 16.717 ( -2.858 -0.572 -0.008) 2.914 16.809 ( 0.218 1.538 -0.735) 1.719 16.993 ( 0.260 0.266 0.518) 0.638 17.121 ( -1.422 -0.790 -1.648) 2.316 18.987 ( 1.686 1.399 2.871) 3.611 19.220 ( 0.567 -2.724 -0.566) 2.839 27.891 ( 6.842 1.710 0.982) 7.121 28.084 ( 3.900 -3.147 -1.099) 5.130 28.701 ( -17.773 1.535 2.784) 18.055 29.273 ( -21.835 0.845 -3.251) 22.092 32.598 ( 10.363 17.415 2.439) 20.411 33.810 ( 2.706 5.424 -14.574) 15.784 34.309 ( 2.517 -7.892 9.956) 12.952 34.943 ( 5.949 -3.429 -1.017) 6.941 ======================= Grid point 165 (65/144) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -29.764 2.569 -2.173) 29.953 1.614 ( -3.236 5.254 10.116) 11.849 1.806 ( -0.527 1.046 -5.566) 5.688 2.299 ( 2.477 13.997 -4.878) 15.029 2.540 ( 2.724 13.343 5.720) 14.770 2.843 ( -12.098 12.681 8.739) 19.584 3.878 ( 6.911 4.620 -3.497) 9.019 3.899 ( -2.887 4.095 4.601) 6.802 4.156 ( 0.537 11.325 -5.607) 12.648 4.280 ( -10.626 -6.475 -13.216) 18.152 4.887 ( -5.783 -2.981 9.236) 11.297 4.968 ( -7.808 -5.587 6.801) 11.766 5.494 ( 9.798 7.956 0.689) 12.641 6.010 ( -11.452 2.977 -6.844) 13.670 6.482 ( -1.413 -1.346 -2.378) 3.076 6.566 ( 1.781 -8.945 -8.742) 12.633 7.211 ( 0.589 -20.546 10.285) 22.984 8.053 ( 4.396 -11.977 -2.398) 12.982 12.632 ( 3.726 4.040 -0.033) 5.496 12.736 ( 2.094 0.582 -0.746) 2.297 13.443 ( -3.952 -1.902 3.477) 5.596 14.064 ( -1.284 2.476 -3.264) 4.293 16.681 ( -2.045 -0.739 0.408) 2.213 16.801 ( 0.620 1.396 -0.751) 1.702 16.987 ( -0.343 0.565 0.146) 0.676 17.105 ( -0.992 -0.286 -2.259) 2.484 18.996 ( 1.000 1.064 4.274) 4.517 19.260 ( 0.502 -2.752 -0.135) 2.801 27.982 ( 4.453 1.895 2.116) 5.282 28.163 ( 3.451 -0.551 0.218) 3.502 28.453 ( -8.094 0.951 0.428) 8.161 28.903 ( -19.205 1.534 -3.484) 19.579 32.516 ( 4.910 20.822 2.573) 21.548 33.750 ( 0.108 8.314 -14.305) 16.546 34.476 ( 4.241 -9.666 8.582) 13.604 35.066 ( 3.315 -4.345 -1.084) 5.571 ======================= Grid point 166 (66/144) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.000 4.171 4.030) 5.800 1.520 ( -0.000 13.957 3.392) 14.363 1.764 ( -0.000 5.089 -7.734) 9.258 2.219 ( -0.000 9.849 -0.153) 9.850 2.444 ( -0.000 17.593 10.420) 20.448 2.483 ( -0.000 15.200 6.926) 16.704 3.781 ( -0.000 5.755 6.499) 8.680 3.912 ( -0.000 5.984 -9.009) 10.815 4.067 ( -0.000 8.629 0.877) 8.674 4.231 ( 0.000 -7.825 -19.419) 20.936 4.904 ( 0.000 -4.901 4.779) 6.846 4.992 ( 0.000 -8.969 12.885) 15.699 5.538 ( -0.000 6.705 -2.231) 7.067 5.765 ( -0.000 13.145 -4.068) 13.760 6.479 ( 0.000 -0.564 -1.220) 1.344 6.689 ( 0.000 -9.632 -8.235) 12.673 7.475 ( 0.000 -24.949 7.949) 26.185 8.238 ( 0.000 -14.277 -2.171) 14.441 12.606 ( -0.000 6.100 -0.200) 6.104 12.764 ( 0.000 -1.558 -1.497) 2.161 13.432 ( 0.000 -2.312 3.177) 3.929 14.021 ( -0.000 3.110 -3.196) 4.459 16.671 ( 0.000 -0.883 0.702) 1.128 16.793 ( -0.000 1.353 -0.632) 1.494 16.976 ( -0.000 0.661 -0.058) 0.663 17.096 ( -0.000 0.173 -2.945) 2.950 18.997 ( -0.000 0.379 6.102) 6.114 19.293 ( 0.000 -2.283 0.311) 2.304 27.972 ( -0.000 3.187 3.642) 4.840 28.227 ( 0.000 -0.452 0.703) 0.836 28.392 ( -0.000 0.721 -1.420) 1.593 28.668 ( -0.000 3.455 -3.909) 5.217 32.320 ( -0.000 21.680 2.674) 21.845 33.646 ( -0.000 10.670 -17.921) 20.857 34.630 ( 0.000 -10.583 9.779) 14.409 35.147 ( 0.000 -5.029 -0.449) 5.049 ======================= Grid point 173 (67/144) ======================= q-point: ( 0.36 -0.64 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -10.906 0.000 15.903) 19.283 1.743 ( 4.718 -0.000 2.939) 5.559 2.458 ( 2.436 -0.000 -1.602) 2.915 2.684 ( 7.971 -0.000 -4.473) 9.141 2.924 ( -34.316 0.000 -0.176) 34.317 3.314 ( -8.060 0.000 6.695) 10.477 3.771 ( 8.498 -0.000 -4.063) 9.420 3.965 ( 12.188 -0.000 -1.658) 12.300 3.989 ( 10.561 -0.000 3.602) 11.158 4.591 ( -0.853 0.000 -9.523) 9.562 5.298 ( -6.036 0.000 1.685) 6.267 5.464 ( -5.100 0.000 7.928) 9.427 5.683 ( -28.791 0.000 -12.636) 31.442 6.103 ( -8.052 0.000 -0.479) 8.066 6.336 ( -3.269 0.000 -5.599) 6.483 6.500 ( 0.537 -0.000 -2.360) 2.420 6.951 ( -8.568 0.000 11.420) 14.277 7.565 ( 7.024 -0.000 -0.389) 7.035 12.498 ( 5.378 -0.000 1.437) 5.567 12.707 ( 4.272 -0.000 -0.811) 4.348 13.613 ( -7.232 0.000 3.212) 7.913 14.179 ( -2.014 0.000 -2.923) 3.550 16.754 ( -2.578 0.000 0.000) 2.578 16.844 ( -0.502 0.000 -0.853) 0.990 16.982 ( 1.100 -0.000 1.095) 1.552 17.114 ( -0.167 0.000 -0.921) 0.936 18.987 ( 2.271 -0.000 1.472) 2.706 19.156 ( -0.025 0.000 -0.934) 0.934 27.842 ( 5.044 -0.000 0.080) 5.045 27.919 ( 3.917 -0.000 -0.792) 3.996 29.049 ( -18.867 0.000 3.400) 19.171 29.667 ( -21.161 0.000 -3.481) 21.446 32.693 ( 16.389 -0.000 1.437) 16.451 33.718 ( 10.943 -0.000 -9.344) 14.390 34.238 ( -7.000 0.000 5.872) 9.137 34.768 ( 7.463 -0.000 -0.272) 7.468 ======================= Grid point 175 (68/144) ======================= q-point: (-0.55 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -5.059 -3.651 16.202) 17.361 1.820 ( 5.981 3.269 -2.296) 7.193 2.210 ( -38.872 0.842 2.693) 38.974 2.556 ( 2.174 2.696 0.160) 3.467 2.789 ( 6.509 3.758 -4.266) 8.642 3.163 ( -8.142 1.038 8.337) 11.699 3.885 ( 6.967 4.233 -1.147) 8.233 4.077 ( 3.732 2.206 -2.463) 4.986 4.156 ( 2.504 -3.221 -1.665) 4.406 4.534 ( -1.701 4.777 -7.867) 9.359 5.027 ( -15.780 1.598 11.094) 19.356 5.188 ( -27.233 -2.452 -7.854) 28.449 5.542 ( 8.415 2.878 0.245) 8.896 5.998 ( -5.975 -2.975 -3.071) 7.347 6.316 ( -2.821 -5.488 -6.400) 8.890 6.489 ( -2.109 -0.693 -5.951) 6.352 6.872 ( -2.651 -2.674 13.856) 14.358 7.703 ( 6.627 -3.189 -1.601) 7.527 12.587 ( 4.953 0.053 1.193) 5.094 12.769 ( 3.877 1.670 -0.750) 4.288 13.495 ( -6.566 -0.486 3.689) 7.547 14.142 ( -1.782 0.638 -3.337) 3.836 16.707 ( -2.969 -0.286 0.342) 3.003 16.835 ( -0.076 0.684 -0.991) 1.206 16.995 ( 0.444 -0.000 0.626) 0.768 17.106 ( -0.974 -0.412 -1.031) 1.477 19.017 ( 1.811 1.028 1.510) 2.572 19.167 ( 0.174 -1.643 -0.794) 1.833 27.937 ( 7.319 2.437 0.315) 7.720 28.011 ( 4.807 -3.136 -0.443) 5.756 28.725 ( -17.807 0.589 2.770) 18.031 29.295 ( -21.547 0.714 -3.344) 21.817 32.900 ( 12.566 8.290 1.096) 15.094 33.882 ( 7.336 1.285 -9.487) 12.061 34.163 ( -2.923 -4.192 8.022) 9.512 34.891 ( 5.951 -1.228 -1.841) 6.349 ======================= Grid point 176 (69/144) ======================= q-point: (-0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -19.788 -1.785 1.635) 19.935 1.607 ( -17.413 -2.383 18.894) 25.805 1.877 ( 4.158 3.960 -7.376) 9.347 2.547 ( 2.101 8.700 -2.847) 9.392 2.815 ( 4.642 8.854 0.998) 10.047 3.022 ( -6.003 4.004 4.217) 8.357 3.931 ( 3.850 1.923 -1.839) 4.680 4.031 ( -4.708 3.698 3.140) 6.760 4.139 ( -6.203 -2.696 -4.761) 8.272 4.433 ( 0.605 11.981 -7.282) 14.034 4.815 ( -9.271 -3.542 14.422) 17.507 4.895 ( -9.580 -1.361 -2.400) 9.970 5.651 ( 9.299 4.900 -2.816) 10.882 5.948 ( -6.507 -5.462 -4.429) 9.581 6.364 ( -0.850 -9.041 -9.010) 12.792 6.460 ( -2.280 -1.632 -5.854) 6.491 6.899 ( -0.510 -6.829 14.518) 16.052 7.850 ( 4.142 -6.301 -2.592) 7.974 12.660 ( 3.202 -0.218 0.709) 3.287 12.795 ( 2.238 3.218 -0.681) 3.978 13.411 ( -3.941 -0.974 4.022) 5.715 14.107 ( -1.058 1.348 -3.564) 3.955 16.666 ( -2.102 -0.516 0.780) 2.301 16.827 ( 0.199 0.909 -0.951) 1.330 16.997 ( -0.047 0.358 0.154) 0.392 17.095 ( -0.729 -0.485 -1.476) 1.716 19.026 ( 0.972 1.500 2.065) 2.731 19.196 ( 0.246 -2.770 -0.579) 2.841 28.022 ( 4.615 1.746 1.806) 5.254 28.140 ( 6.723 -1.376 0.261) 6.868 28.467 ( -10.391 0.439 0.825) 10.433 28.941 ( -17.575 1.516 -3.468) 17.978 32.930 ( 6.418 15.463 1.231) 16.788 33.899 ( 0.789 5.770 -7.556) 9.540 34.256 ( 2.476 -10.103 5.991) 12.004 34.991 ( 3.297 -2.382 -2.231) 4.640 ======================= Grid point 177 (70/144) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.000 2.893 2.485) 3.813 1.591 ( 0.000 -4.852 16.076) 16.792 1.872 ( -0.000 4.513 -9.192) 10.240 2.437 ( -0.000 12.276 -4.475) 13.066 2.765 ( -0.000 11.188 8.645) 14.138 2.852 ( -0.000 12.651 -0.312) 12.655 3.905 ( -0.000 5.281 8.563) 10.061 4.031 ( -0.000 4.944 0.023) 4.944 4.051 ( 0.000 -7.984 -14.878) 16.885 4.305 ( -0.000 12.254 -6.804) 14.016 4.800 ( 0.000 -7.439 16.236) 17.859 4.836 ( 0.000 -0.984 2.610) 2.789 5.702 ( -0.000 7.004 -6.626) 9.641 5.898 ( 0.000 -1.399 -3.152) 3.448 6.454 ( 0.000 -1.468 -4.041) 4.300 6.474 ( 0.000 -10.135 -11.161) 15.076 7.012 ( 0.000 -14.775 13.987) 20.345 7.973 ( 0.000 -9.426 -2.786) 9.829 12.690 ( -0.000 0.464 0.057) 0.468 12.776 ( -0.000 3.387 -0.588) 3.437 13.390 ( 0.000 -1.438 3.947) 4.201 14.079 ( -0.000 2.042 -3.561) 4.105 16.654 ( 0.000 -0.680 0.970) 1.185 16.820 ( -0.000 1.017 -0.852) 1.327 16.989 ( -0.000 0.608 -0.007) 0.608 17.094 ( 0.000 -0.362 -1.939) 1.972 19.019 ( -0.000 1.385 3.078) 3.376 19.231 ( 0.000 -3.100 -0.334) 3.118 28.035 ( -0.000 2.411 3.703) 4.419 28.221 ( 0.000 -0.022 0.803) 0.803 28.391 ( 0.000 -0.691 -1.161) 1.351 28.737 ( -0.000 2.695 -3.916) 4.754 32.788 ( -0.000 19.769 1.884) 19.859 33.832 ( -0.000 6.841 -8.841) 11.179 34.400 ( 0.000 -10.680 5.609) 12.063 35.052 ( 0.000 -3.456 -1.932) 3.959 ======================= Grid point 186 (71/144) ======================= q-point: ( 0.45 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -12.077 0.000 8.172) 14.583 1.583 ( -25.682 0.000 18.791) 31.822 1.925 ( 3.745 -0.000 -8.133) 8.954 2.650 ( 4.763 -0.000 -0.244) 4.770 2.906 ( 4.490 -0.000 -2.906) 5.348 3.059 ( -4.672 0.000 3.942) 6.113 3.975 ( -7.955 0.000 -9.405) 12.318 3.997 ( 2.656 -0.000 2.933) 3.957 4.169 ( -4.002 0.000 6.957) 8.026 4.602 ( 3.855 -0.000 1.009) 3.985 4.806 ( -10.793 0.000 10.121) 14.796 4.832 ( -10.071 0.000 -13.578) 16.906 5.688 ( 6.945 -0.000 -1.119) 7.034 5.896 ( -4.735 0.000 -3.583) 5.938 6.229 ( -2.521 0.000 -5.355) 5.918 6.442 ( -2.254 0.000 -6.518) 6.896 6.843 ( 0.084 -0.000 12.490) 12.490 7.780 ( 4.063 -0.000 -2.654) 4.853 12.655 ( 2.895 -0.000 1.124) 3.105 12.834 ( 2.384 -0.000 -0.769) 2.505 13.401 ( -3.934 0.000 4.221) 5.770 14.122 ( -1.004 0.000 -3.665) 3.800 16.660 ( -2.070 0.000 0.914) 2.263 16.838 ( -0.033 0.000 -1.042) 1.042 17.001 ( 0.226 -0.000 0.131) 0.262 17.089 ( -0.693 0.000 -1.201) 1.386 19.048 ( 1.050 -0.000 1.275) 1.652 19.159 ( 0.079 -0.000 -0.715) 0.719 28.048 ( 2.991 -0.000 1.726) 3.454 28.118 ( 9.748 -0.000 0.193) 9.750 28.472 ( -11.370 0.000 0.997) 11.414 28.959 ( -17.277 0.000 -3.501) 17.628 33.119 ( 6.985 -0.000 -0.193) 6.988 34.008 ( 5.003 -0.000 -8.197) 9.603 34.084 ( -2.067 0.000 8.947) 9.182 34.965 ( 3.310 -0.000 -2.624) 4.224 ======================= Grid point 188 (72/144) ======================= q-point: (-0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 1.050 1.915) 2.184 1.466 ( 0.000 -4.035 26.484) 26.789 1.947 ( -0.000 1.923 -10.522) 10.696 2.662 ( -0.000 6.208 -1.172) 6.317 2.929 ( -0.000 3.704 7.531) 8.392 3.004 ( -0.000 2.406 -7.430) 7.810 3.915 ( 0.000 -3.611 -10.456) 11.062 3.995 ( -0.000 2.445 10.619) 10.897 4.107 ( -0.000 1.716 4.481) 4.799 4.588 ( -0.000 12.292 -7.209) 14.250 4.685 ( 0.000 -2.799 14.022) 14.298 4.810 ( 0.000 -3.596 -7.117) 7.974 5.797 ( 0.000 -4.233 -0.110) 4.234 5.815 ( -0.000 2.827 -6.523) 7.109 6.250 ( 0.000 -7.577 -6.467) 9.961 6.426 ( 0.000 -0.813 -6.184) 6.237 6.854 ( 0.000 -1.810 12.596) 12.725 7.834 ( 0.000 -3.213 -3.063) 4.440 12.683 ( 0.000 -0.347 0.945) 1.007 12.844 ( -0.000 1.874 -0.753) 2.019 13.369 ( 0.000 -0.485 4.370) 4.397 14.109 ( -0.000 0.709 -3.747) 3.814 16.643 ( 0.000 -0.256 1.132) 1.161 16.835 ( -0.000 0.377 -0.981) 1.051 17.001 ( -0.000 0.356 -0.073) 0.364 17.085 ( 0.000 -0.321 -1.421) 1.457 19.050 ( -0.000 1.185 1.467) 1.886 19.171 ( 0.000 -1.926 -0.632) 2.027 28.072 ( -0.000 0.894 3.745) 3.850 28.225 ( -0.000 0.224 0.651) 0.688 28.373 ( 0.000 -0.632 -0.987) 1.173 28.779 ( -0.000 1.018 -3.927) 4.057 33.126 ( -0.000 9.215 -0.121) 9.216 33.974 ( -0.000 6.876 -2.720) 7.395 34.164 ( 0.000 -10.252 3.327) 10.778 35.000 ( 0.000 -1.207 -2.687) 2.945 ======================= Grid point 250 (73/144) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 0.000 24.043) 24.043 1.004 ( 0.000 0.000 13.748) 13.748 1.495 ( 0.000 0.000 -6.514) 6.514 1.783 ( 0.000 0.000 25.368) 25.368 1.794 ( 0.000 0.000 40.716) 40.716 2.302 ( 0.000 0.000 -18.530) 18.530 3.371 ( 0.000 0.000 -10.379) 10.379 3.524 ( 0.000 0.000 -10.259) 10.259 4.123 ( 0.000 0.000 -12.857) 12.857 4.533 ( 0.000 0.000 1.707) 1.707 4.654 ( 0.000 0.000 -12.485) 12.485 4.821 ( 0.000 0.000 -6.792) 6.792 5.012 ( 0.000 0.000 13.266) 13.266 5.868 ( 0.000 0.000 -13.046) 13.046 6.178 ( 0.000 0.000 15.027) 15.027 6.467 ( 0.000 0.000 3.669) 3.669 9.023 ( 0.000 0.000 4.119) 4.119 9.227 ( 0.000 0.000 -1.986) 1.986 12.409 ( 0.000 0.000 4.037) 4.037 12.697 ( 0.000 0.000 -4.093) 4.093 13.614 ( 0.000 0.000 1.738) 1.738 13.780 ( 0.000 0.000 -2.932) 2.932 16.719 ( 0.000 0.000 0.045) 0.045 16.723 ( 0.000 0.000 -0.053) 0.053 16.885 ( 0.000 0.000 0.302) 0.302 16.921 ( 0.000 0.000 -0.728) 0.728 19.332 ( 0.000 0.000 1.482) 1.482 19.426 ( 0.000 0.000 -1.184) 1.184 27.930 ( 0.000 0.000 6.478) 6.478 28.080 ( 0.000 0.000 1.010) 1.010 28.161 ( 0.000 0.000 -1.275) 1.275 28.407 ( 0.000 0.000 -6.985) 6.985 31.500 ( 0.000 0.000 2.694) 2.694 31.730 ( 0.000 0.000 -3.874) 3.874 35.462 ( 0.000 0.000 4.921) 4.921 35.771 ( 0.000 0.000 -3.865) 3.865 ======================= Grid point 251 (74/144) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 2.500 10.078 21.359) 23.749 1.165 ( 5.455 -11.406 20.763) 24.309 1.580 ( 9.768 1.856 -4.093) 10.753 1.759 ( 15.796 -3.387 13.701) 21.183 2.227 ( 15.677 -4.321 13.632) 21.220 2.346 ( 12.993 -1.797 0.390) 13.123 3.247 ( -12.061 -3.987 -17.755) 21.831 3.615 ( 6.973 -2.110 -5.132) 8.911 4.258 ( 5.768 4.610 -0.214) 7.387 4.308 ( -2.276 6.176 4.699) 8.088 4.837 ( 13.553 6.634 -9.118) 17.630 5.036 ( -0.662 -7.776 11.033) 13.514 5.112 ( 27.012 -2.035 -20.495) 33.968 5.961 ( -1.561 -14.608 -14.243) 20.463 6.164 ( 1.462 2.218 12.946) 13.216 6.501 ( 2.802 -1.268 1.367) 3.366 8.878 ( -12.359 10.018 3.629) 16.318 8.971 ( -16.560 10.069 2.479) 19.539 12.403 ( -0.944 -0.404 3.977) 4.108 12.689 ( -1.622 -0.709 -4.272) 4.625 13.658 ( 5.116 1.441 2.132) 5.727 13.828 ( 4.420 -1.202 -2.822) 5.380 16.694 ( -2.015 0.050 -0.713) 2.138 16.714 ( -0.977 -0.523 -0.440) 1.192 16.897 ( -0.223 -2.815 -0.215) 2.832 16.930 ( 0.452 -0.569 -0.721) 1.024 19.288 ( -6.456 3.112 3.550) 7.998 19.333 ( -4.641 -1.100 1.621) 5.038 27.884 ( -3.740 -1.912 4.501) 6.156 28.108 ( -2.957 -0.612 -2.375) 3.842 28.288 ( 17.977 -2.065 3.952) 18.522 28.969 ( 51.673 4.868 -23.622) 57.024 31.526 ( 0.021 -5.399 2.740) 6.054 31.834 ( -0.418 -19.250 -8.626) 21.098 35.405 ( -4.830 3.041 4.472) 7.251 35.567 ( -15.020 7.893 4.092) 17.455 ======================= Grid point 252 (75/144) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 14.848 3.393 10.824) 18.686 1.366 ( 4.465 -12.962 17.445) 22.188 1.719 ( 10.396 6.530 -2.341) 12.498 2.177 ( 16.759 -1.185 -5.500) 17.679 2.391 ( 18.291 -2.151 -5.983) 19.364 2.788 ( 19.436 -4.869 16.894) 26.209 3.170 ( -1.039 -9.777 -13.027) 16.321 3.765 ( 6.101 -2.938 -2.731) 7.301 4.041 ( -10.047 9.053 12.187) 18.205 4.311 ( -4.258 1.467 -2.165) 4.997 5.090 ( 0.463 -5.122 14.112) 15.020 5.169 ( 27.293 3.019 -5.542) 28.013 5.588 ( 24.567 -1.340 -16.990) 29.899 6.004 ( -0.767 0.161 -2.472) 2.594 6.251 ( 2.709 -8.163 -3.309) 9.216 6.571 ( 2.507 -1.935 -4.556) 5.549 8.393 ( -20.677 16.786 6.853) 27.501 8.619 ( -15.488 8.268 -0.356) 17.560 12.387 ( -1.622 -0.780 3.766) 4.174 12.654 ( -2.946 -0.087 -3.916) 4.902 13.732 ( 5.791 2.264 3.448) 7.109 13.933 ( 5.870 -0.918 -2.681) 6.518 16.684 ( 0.817 -0.507 -1.939) 2.164 16.707 ( -0.227 -0.724 -1.005) 1.259 16.936 ( -0.205 -4.316 -1.098) 4.458 16.947 ( 0.501 -1.263 -0.590) 1.482 19.138 ( -6.424 1.141 6.742) 9.382 19.289 ( -2.968 -0.876 0.082) 3.096 27.849 ( -2.725 -1.369 3.714) 4.805 28.066 ( -3.650 -1.515 -2.801) 4.844 28.681 ( 24.761 -0.903 7.471) 25.879 29.650 ( 39.514 18.463 -25.469) 50.506 31.618 ( 1.156 -8.727 2.648) 9.192 32.122 ( 2.408 -28.380 -19.277) 34.392 35.168 ( -13.997 8.894 11.514) 20.189 35.288 ( -8.867 3.389 3.912) 10.267 ======================= Grid point 253 (76/144) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 13.845 -4.352 4.450) 15.180 1.647 ( 14.334 -9.333 8.675) 19.179 1.776 ( 7.289 9.073 -3.248) 12.083 2.289 ( 0.072 -2.496 -7.505) 7.909 2.874 ( 28.224 0.830 -4.007) 28.519 3.014 ( 7.523 -5.799 -7.198) 11.918 3.481 ( 14.748 -11.139 7.780) 20.053 3.717 ( -11.758 5.997 8.244) 15.562 3.885 ( -0.826 -1.240 3.728) 4.014 4.193 ( -5.813 0.301 -3.546) 6.816 5.114 ( -1.524 -2.976 12.871) 13.299 5.634 ( 26.141 0.753 -2.066) 26.233 5.822 ( 3.069 3.693 0.810) 4.870 6.147 ( 17.718 -2.332 -10.905) 20.936 6.369 ( 3.367 -4.596 -3.931) 6.922 6.596 ( -1.484 -0.187 -7.052) 7.209 7.890 ( -17.677 13.847 7.255) 23.597 8.267 ( -14.621 7.633 -3.222) 16.805 12.367 ( -1.745 -1.023 3.367) 3.928 12.596 ( -3.318 0.598 -3.140) 4.607 13.803 ( 5.197 1.948 4.074) 6.884 14.034 ( 5.018 -0.141 -2.734) 5.717 16.722 ( 2.246 -0.786 -0.826) 2.519 16.733 ( 2.413 -0.818 -1.330) 2.874 16.955 ( -0.397 -1.041 -0.028) 1.114 16.994 ( 0.266 -4.777 -2.541) 5.418 19.046 ( -3.862 0.121 6.279) 7.372 19.250 ( -2.604 -0.722 -0.934) 2.859 27.818 ( -1.948 -0.286 3.132) 3.699 28.014 ( -4.464 -1.634 -2.631) 5.433 29.102 ( 23.241 0.551 8.957) 24.914 29.942 ( 20.996 18.349 -14.819) 31.577 31.739 ( 1.081 -9.134 3.569) 9.866 32.485 ( 5.039 -23.759 -25.926) 35.525 34.879 ( -9.426 6.267 12.929) 17.184 35.100 ( -8.748 3.449 2.557) 9.745 ======================= Grid point 254 (77/144) ======================= q-point: ( 0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 7.631 -6.544 3.473) 10.635 1.802 ( 6.674 7.072 2.023) 9.932 2.015 ( 18.060 -3.117 5.386) 19.102 2.296 ( -0.838 -2.872 -3.802) 4.838 3.198 ( 9.223 -7.793 -10.672) 16.115 3.295 ( 10.022 -1.561 -1.047) 10.197 3.355 ( -11.485 5.332 1.834) 12.794 3.794 ( -5.057 -1.947 -3.916) 6.686 3.883 ( 12.679 0.222 9.712) 15.973 4.160 ( -0.988 -3.007 -0.090) 3.166 5.122 ( -0.349 -1.797 10.355) 10.516 5.757 ( -0.893 3.759 -5.057) 6.363 6.035 ( 17.463 -0.384 3.270) 17.771 6.377 ( 3.716 -0.868 -6.057) 7.159 6.532 ( 3.352 0.302 -3.624) 4.945 6.557 ( 7.382 -1.757 -4.181) 8.664 7.506 ( -12.448 8.833 8.088) 17.274 7.979 ( -10.450 4.980 -5.230) 12.702 12.353 ( -1.259 -1.006 2.850) 3.274 12.535 ( -2.646 0.844 -2.335) 3.628 13.863 ( 3.724 1.224 4.042) 5.631 14.104 ( 3.224 0.241 -2.840) 4.303 16.775 ( 2.851 -0.629 0.575) 2.975 16.792 ( 3.106 -0.845 -0.406) 3.245 16.948 ( -1.521 -0.508 0.400) 1.652 17.048 ( 0.426 -3.683 -3.852) 5.346 18.996 ( -2.094 -0.111 5.495) 5.882 19.219 ( -1.743 -0.478 -1.645) 2.444 27.791 ( -1.018 0.337 2.486) 2.707 27.955 ( -4.020 -1.173 -2.275) 4.766 29.432 ( 16.020 1.128 8.345) 18.099 30.028 ( 9.652 11.576 -7.644) 16.900 31.845 ( 0.686 -7.023 5.112) 8.714 32.782 ( 4.454 -14.553 -27.345) 31.295 34.710 ( -4.142 3.705 10.514) 11.893 34.927 ( -7.317 2.561 3.141) 8.365 ======================= Grid point 255 (78/144) ======================= q-point: ( 0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.796 -3.401 1.966) 4.822 1.840 ( 3.316 2.667 7.750) 8.842 2.186 ( 1.928 0.986 2.695) 3.457 2.435 ( 10.485 -2.489 11.860) 16.025 3.018 ( -13.499 1.811 -1.628) 13.717 3.378 ( 1.949 -4.402 -9.306) 10.477 3.511 ( 6.767 -2.816 -9.809) 12.245 3.705 ( -2.298 2.985 -10.292) 10.960 4.057 ( 8.467 3.427 6.305) 11.099 4.164 ( -3.829 -3.909 3.312) 6.396 5.138 ( 0.104 -0.903 8.972) 9.018 5.713 ( -0.132 1.974 -7.768) 8.016 6.250 ( 8.146 0.079 0.912) 8.197 6.354 ( -5.090 -0.380 -1.343) 5.278 6.551 ( 2.796 -0.094 1.133) 3.018 6.742 ( 5.623 -0.736 -3.560) 6.696 7.285 ( -5.071 3.223 8.618) 10.506 7.817 ( -3.910 1.680 -6.439) 7.718 12.347 ( -0.431 -0.472 2.439) 2.522 12.495 ( -1.033 0.431 -1.784) 2.106 13.898 ( 1.366 0.414 3.908) 4.160 14.138 ( 1.104 0.144 -2.872) 3.080 16.817 ( 1.204 -0.157 1.590) 2.001 16.855 ( 3.143 -0.689 0.131) 3.220 16.915 ( -2.553 0.113 0.810) 2.681 17.083 ( 0.242 -1.382 -4.653) 4.860 18.974 ( -0.671 -0.058 5.052) 5.097 19.202 ( -0.610 -0.164 -2.013) 2.109 27.778 ( -0.209 0.251 1.973) 1.999 27.912 ( -1.727 -0.439 -1.951) 2.642 29.611 ( 5.780 0.480 7.214) 9.257 30.043 ( 2.639 3.911 -4.359) 6.423 31.908 ( 0.254 -2.636 6.234) 6.773 32.944 ( 1.745 -4.897 -27.359) 27.848 34.645 ( -0.716 1.293 7.624) 7.766 34.813 ( -3.219 0.922 4.906) 5.940 ======================= Grid point 262 (79/144) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 7.894 -0.000 17.163) 18.891 1.160 ( 11.459 -0.000 16.991) 20.494 1.808 ( 13.522 -0.000 0.324) 13.526 2.157 ( 16.891 -0.000 -7.782) 18.597 2.361 ( 18.240 -0.000 -8.227) 20.010 2.740 ( 27.051 -0.000 26.299) 37.728 3.044 ( -7.609 0.000 -19.865) 21.273 3.730 ( 6.880 -0.000 -2.670) 7.380 4.173 ( -12.374 0.000 12.620) 17.674 4.337 ( -4.007 0.000 -0.819) 4.090 4.977 ( 0.430 -0.000 13.679) 13.685 5.265 ( 30.079 -0.000 -8.674) 31.305 5.642 ( 28.165 -0.000 -26.801) 38.879 5.854 ( -0.576 0.000 -11.456) 11.471 6.200 ( 2.091 -0.000 10.728) 10.930 6.543 ( 2.638 -0.000 -1.433) 3.002 8.625 ( -25.449 0.000 5.690) 26.077 8.684 ( -17.596 0.000 1.194) 17.637 12.383 ( -1.188 0.000 3.703) 3.888 12.651 ( -2.411 0.000 -3.801) 4.501 13.762 ( 5.475 -0.000 3.070) 6.277 13.922 ( 6.693 -0.000 -2.156) 7.031 16.680 ( 1.104 -0.000 -3.124) 3.313 16.699 ( -0.222 0.000 -0.929) 0.955 16.872 ( -0.448 0.000 0.892) 0.998 16.935 ( 0.341 -0.000 -0.827) 0.895 19.152 ( -8.101 0.000 6.397) 10.322 19.275 ( -2.761 0.000 0.111) 2.763 27.832 ( -1.655 0.000 3.893) 4.230 28.047 ( -3.802 0.000 -2.661) 4.641 28.671 ( 26.050 -0.000 7.948) 27.235 29.932 ( 46.343 -0.000 -42.708) 63.021 31.536 ( 6.340 -0.000 -0.764) 6.386 31.709 ( -0.557 0.000 -3.763) 3.804 35.293 ( -19.048 0.000 12.205) 22.623 35.310 ( -8.219 0.000 3.732) 9.027 ======================= Grid point 263 (80/144) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 11.594 1.838 10.057) 15.457 1.482 ( 20.788 -4.531 5.557) 21.990 1.971 ( 8.982 6.424 0.471) 11.053 2.240 ( 0.131 -1.796 -11.916) 12.051 2.877 ( 31.258 -0.488 -5.447) 31.733 2.976 ( 4.711 2.203 -9.126) 10.504 3.232 ( 19.688 -9.406 15.344) 26.675 3.794 ( -2.559 0.569 0.478) 2.664 3.917 ( -11.294 2.888 11.440) 16.333 4.223 ( -5.852 1.569 -1.222) 6.181 5.024 ( 1.411 -3.357 12.517) 13.035 5.712 ( 19.594 5.137 -5.342) 20.949 5.868 ( 8.976 0.815 -5.662) 10.644 6.073 ( 15.816 -5.152 -15.606) 22.809 6.280 ( 7.192 -1.830 2.201) 7.741 6.571 ( -0.799 -1.158 -4.391) 4.611 8.153 ( -22.552 8.409 5.646) 24.723 8.356 ( -19.743 0.539 -1.034) 19.777 12.362 ( -1.046 0.190 3.398) 3.560 12.606 ( -2.715 0.227 -3.414) 4.368 13.839 ( 4.299 1.030 4.101) 6.029 14.034 ( 5.947 0.038 -2.106) 6.309 16.713 ( 1.954 -0.174 -0.957) 2.183 16.727 ( 3.881 0.355 -3.427) 5.190 16.887 ( -0.072 -3.633 0.137) 3.637 16.940 ( -0.160 -0.475 -0.711) 0.869 19.046 ( -4.533 -0.060 6.109) 7.607 19.231 ( -2.749 -0.643 -0.826) 2.942 27.811 ( -1.096 -0.210 3.000) 3.201 27.980 ( -4.534 -0.990 -2.104) 5.096 29.115 ( 24.743 0.414 10.534) 26.895 30.359 ( 16.218 14.869 -27.383) 35.128 31.649 ( 6.711 2.781 -1.366) 7.392 31.949 ( 12.851 -22.259 -17.208) 30.931 34.987 ( -13.536 3.012 14.741) 20.239 35.147 ( -10.126 0.823 3.078) 10.616 ======================= Grid point 264 (81/144) ======================= q-point: ( 0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 11.109 0.092 5.475) 12.385 1.918 ( 21.225 -3.237 -2.862) 21.660 2.014 ( 9.459 8.448 3.211) 13.082 2.248 ( -0.925 -1.614 -7.773) 7.992 3.088 ( 7.547 -1.280 -4.976) 9.130 3.262 ( 4.728 -1.701 2.674) 5.693 3.472 ( 0.871 4.214 0.091) 4.304 3.715 ( 2.777 -3.692 1.540) 4.870 3.871 ( 6.784 -1.593 8.002) 10.611 4.155 ( -0.473 1.451 1.566) 2.187 5.070 ( 0.321 -2.311 10.546) 10.801 5.799 ( -0.116 0.357 -9.136) 9.143 6.069 ( 13.589 3.095 3.909) 14.475 6.335 ( 6.922 -2.908 -5.987) 9.603 6.495 ( 14.541 -1.918 -4.526) 15.350 6.533 ( -4.540 -1.297 -4.790) 6.726 7.710 ( -17.369 9.041 5.849) 20.436 8.035 ( -16.745 -0.045 -3.208) 17.049 12.347 ( -0.370 0.289 3.105) 3.140 12.557 ( -2.105 0.913 -2.803) 3.622 13.888 ( 2.713 0.956 4.274) 5.151 14.114 ( 3.757 0.540 -2.442) 4.513 16.764 ( 3.459 -0.301 0.102) 3.474 16.787 ( 3.539 0.644 -0.899) 3.708 16.936 ( -1.205 -1.147 -0.514) 1.741 16.948 ( 1.516 -4.397 -2.473) 5.268 18.992 ( -2.206 -0.237 5.257) 5.706 19.199 ( -2.069 -1.059 -1.517) 2.775 27.796 ( -0.763 0.116 2.107) 2.244 27.918 ( -4.298 -1.717 -1.560) 4.884 29.462 ( 16.437 1.380 10.333) 19.464 30.331 ( 2.516 13.882 -13.053) 19.221 31.752 ( 6.704 -0.876 1.739) 6.981 32.426 ( 15.119 -16.618 -25.364) 33.883 34.780 ( -7.291 2.456 12.377) 14.573 34.963 ( -9.837 0.837 3.180) 10.372 ======================= Grid point 265 (82/144) ======================= q-point: ( 0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 8.701 0.106 4.016) 9.584 1.995 ( 4.874 8.830 -0.283) 10.090 2.212 ( 1.583 1.357 1.966) 2.866 2.382 ( 16.085 -2.048 6.751) 17.564 3.056 ( -13.725 0.601 2.554) 13.973 3.247 ( 4.926 -4.526 -8.347) 10.697 3.489 ( 1.835 1.727 -4.771) 5.395 3.777 ( 3.313 2.448 -8.206) 9.182 4.085 ( 3.862 -3.613 6.679) 8.519 4.153 ( 6.660 3.929 4.402) 8.897 5.099 ( 0.634 -2.037 9.188) 9.432 5.766 ( -1.722 2.157 -10.730) 11.079 6.237 ( 7.616 -0.590 1.970) 7.889 6.343 ( -6.482 -0.431 -1.110) 6.590 6.525 ( 1.188 -2.323 -0.702) 2.702 6.707 ( 6.029 -1.987 -4.143) 7.580 7.389 ( -9.967 5.986 7.037) 13.591 7.812 ( -10.357 -2.199 -4.869) 11.653 12.346 ( 0.764 0.395 2.738) 2.869 12.519 ( -0.646 1.471 -2.151) 2.685 13.908 ( 0.371 0.409 4.134) 4.171 14.150 ( 1.318 0.754 -2.810) 3.193 16.811 ( 1.220 -0.161 1.338) 1.818 16.847 ( 4.056 -0.029 0.488) 4.086 16.915 ( -2.039 -0.242 -0.059) 2.054 17.028 ( 2.207 -3.361 -4.050) 5.707 18.971 ( -0.623 -0.191 4.715) 4.760 19.185 ( -1.079 -1.243 -1.926) 2.534 27.782 ( -0.669 0.214 1.553) 1.705 27.881 ( -2.137 -2.060 -1.383) 3.274 29.632 ( 5.175 1.295 8.423) 9.970 30.195 ( -3.289 8.765 -6.864) 11.609 31.884 ( 7.950 0.534 4.609) 9.205 32.793 ( 11.608 -8.328 -26.011) 29.676 34.675 ( -3.171 1.325 8.304) 8.987 34.813 ( -6.889 -0.697 4.718) 8.378 ======================= Grid point 266 (83/144) ======================= q-point: ( 0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 3.297 2.132 4.538) 6.001 1.949 ( 1.304 10.156 3.540) 10.834 2.179 ( -3.057 1.091 4.534) 5.576 2.480 ( -5.774 1.604 15.479) 16.598 3.002 ( 10.824 0.397 -6.268) 12.514 3.407 ( 5.731 -4.711 -11.412) 13.611 3.477 ( -4.181 -0.168 -5.169) 6.651 3.756 ( 0.992 5.123 -10.923) 12.106 4.016 ( -8.545 -0.406 7.815) 11.587 4.271 ( 7.562 5.207 0.983) 9.234 5.133 ( 0.970 -0.989 8.334) 8.448 5.702 ( -3.075 1.119 -8.385) 9.001 6.222 ( -8.554 -2.326 0.335) 8.871 6.347 ( 3.574 -1.194 -1.918) 4.229 6.534 ( -3.621 -1.640 2.383) 4.635 6.729 ( -5.420 -1.754 -2.938) 6.410 7.257 ( -0.702 0.842 8.222) 8.295 7.743 ( -2.358 -4.949 -5.571) 7.815 12.363 ( 1.988 0.918 2.390) 3.242 12.507 ( 1.226 1.452 -1.706) 2.554 13.890 ( -2.328 -0.301 4.069) 4.698 14.145 ( -0.899 0.658 -3.130) 3.322 16.815 ( -0.841 -0.196 1.356) 1.607 16.870 ( -2.645 0.450 -0.392) 2.712 16.915 ( 3.419 0.206 1.478) 3.731 17.085 ( 1.460 -1.087 -4.165) 4.545 18.973 ( 0.640 -0.127 4.628) 4.673 19.189 ( 0.034 -1.238 -2.033) 2.380 27.772 ( -0.373 -0.242 1.727) 1.783 27.896 ( 1.246 -1.797 -1.868) 2.876 29.612 ( -6.185 0.530 6.972) 9.335 30.037 ( -7.628 2.883 -4.608) 9.367 31.993 ( 7.972 4.924 6.409) 11.352 33.001 ( 7.578 0.350 -25.718) 26.814 34.622 ( -2.540 -0.678 6.765) 7.258 34.771 ( -0.054 -2.694 4.964) 5.648 ======================= Grid point 267 (84/144) ======================= q-point: (-0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -2.759 4.370 3.585) 6.289 1.804 ( -4.168 10.831 3.434) 12.103 2.063 ( -9.785 1.853 7.948) 12.742 2.370 ( -0.021 3.528 1.007) 3.669 3.236 ( -8.499 -3.375 -6.124) 11.006 3.316 ( 5.624 0.838 -0.716) 5.731 3.415 ( -2.566 8.529 -8.598) 12.380 3.819 ( 9.945 1.400 -3.373) 10.595 3.866 ( -9.806 -1.395 6.409) 11.798 4.277 ( 1.147 6.641 -2.866) 7.324 5.143 ( -0.165 0.407 8.408) 8.420 5.667 ( -1.890 -3.393 -1.955) 4.348 6.046 ( -16.499 -0.557 0.351) 16.512 6.368 ( -3.958 -2.032 -6.223) 7.650 6.496 ( -0.457 -1.877 -0.327) 1.959 6.586 ( -11.228 0.085 -2.697) 11.548 7.340 ( 6.481 -5.909 9.063) 12.612 7.832 ( 4.177 -7.977 -5.298) 10.447 12.389 ( 2.878 2.061 2.310) 4.227 12.531 ( 2.907 0.676 -1.728) 3.448 13.837 ( -4.617 -1.050 4.179) 6.316 14.107 ( -2.684 0.541 -3.427) 4.386 16.788 ( -2.022 0.472 0.627) 2.169 16.813 ( -2.950 0.886 -0.493) 3.119 16.960 ( 2.264 0.598 1.266) 2.662 17.100 ( 0.218 0.982 -3.763) 3.895 18.995 ( 1.781 -0.190 5.016) 5.326 19.212 ( 1.129 -1.092 -1.792) 2.383 27.781 ( 1.143 -0.498 2.360) 2.669 27.956 ( 3.554 -1.200 -2.637) 4.585 29.420 ( -15.573 0.065 6.894) 17.031 29.865 ( -13.190 -3.258 -5.109) 14.516 32.037 ( 6.749 10.016 6.827) 13.874 33.045 ( 3.961 9.257 -25.676) 27.580 34.625 ( 0.383 -3.906 9.009) 9.827 34.852 ( 4.578 -4.061 2.598) 6.649 ======================= Grid point 268 (85/144) ======================= q-point: (-0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -9.781 14.199 0.312) 17.245 1.644 ( -6.076 -1.457 -2.922) 6.897 1.858 ( -4.992 9.573 10.535) 15.085 2.355 ( 0.133 3.679 -4.914) 6.140 2.844 ( -27.957 -1.612 -2.334) 28.101 3.200 ( -6.972 10.396 -8.355) 15.049 3.616 ( 14.575 -2.263 7.296) 16.455 3.661 ( -11.616 4.400 4.423) 13.185 3.952 ( 5.158 4.483 2.137) 7.160 4.225 ( 2.728 3.160 -6.777) 7.960 5.131 ( -1.035 -0.501 9.835) 9.902 5.652 ( -26.306 0.739 3.786) 26.587 5.715 ( -0.434 -5.165 1.670) 5.445 6.210 ( -16.110 2.665 -10.992) 19.684 6.436 ( -2.329 1.340 -3.873) 4.713 6.551 ( 0.996 -4.058 -5.259) 6.717 7.591 ( 10.684 -12.741 8.690) 18.761 8.049 ( 8.423 -11.382 -4.505) 14.860 12.414 ( 3.264 3.047 2.565) 5.149 12.586 ( 3.748 -0.063 -2.305) 4.401 13.762 ( -5.907 -1.741 4.349) 7.539 14.043 ( -3.933 0.741 -3.656) 5.420 16.743 ( -2.140 0.969 -0.440) 2.390 16.756 ( -1.989 1.218 -0.863) 2.487 16.978 ( 0.864 0.985 0.841) 1.557 17.076 ( -0.664 2.409 -3.206) 4.065 19.038 ( 2.896 -0.530 5.846) 6.545 19.250 ( 2.015 -0.823 -1.187) 2.479 27.821 ( 2.994 -0.046 2.973) 4.219 28.033 ( 4.284 -0.213 -3.157) 5.326 29.098 ( -21.437 0.268 7.250) 22.631 29.643 ( -20.951 -8.485 -7.674) 23.872 32.002 ( 4.792 14.098 6.265) 16.154 32.942 ( 1.613 17.530 -25.738) 31.183 34.730 ( 4.913 -7.053 11.052) 14.001 35.001 ( 6.484 -5.308 1.174) 8.462 ======================= Grid point 269 (86/144) ======================= q-point: (-0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -13.789 14.334 0.531) 19.897 1.590 ( -5.472 -3.978 -6.369) 9.291 1.688 ( -0.054 15.161 14.181) 20.760 2.198 ( -18.049 0.954 -1.643) 18.149 2.437 ( -14.760 2.204 -1.871) 15.040 2.953 ( -12.260 9.624 8.022) 17.529 3.396 ( -4.135 9.370 -8.502) 13.311 3.833 ( 0.252 1.387 -1.261) 1.891 3.915 ( 5.238 0.754 8.200) 9.759 4.301 ( 4.062 0.417 -4.175) 5.840 5.034 ( -20.135 -2.880 1.398) 20.388 5.252 ( -7.602 2.524 7.559) 11.014 5.702 ( -12.333 5.740 -3.470) 14.039 5.909 ( -7.730 -3.498 0.454) 8.497 6.406 ( 0.961 3.816 -6.965) 7.999 6.587 ( -1.335 -1.625 -8.952) 9.196 7.976 ( 13.129 -19.738 8.178) 25.077 8.354 ( 10.037 -14.519 -2.955) 17.896 12.432 ( 2.907 3.332 2.916) 5.297 12.652 ( 3.529 -0.182 -3.304) 4.837 13.681 ( -5.957 -2.217 4.209) 7.623 13.959 ( -4.411 1.422 -3.793) 5.988 16.701 ( -1.148 0.882 -0.995) 1.756 16.729 ( 0.218 1.177 -0.978) 1.546 16.970 ( -0.241 1.198 0.304) 1.259 17.030 ( -0.943 3.215 -2.768) 4.346 19.108 ( 4.014 -1.514 6.826) 8.062 19.296 ( 2.469 -0.479 -0.238) 2.526 27.880 ( 4.673 1.281 3.313) 5.870 28.096 ( 3.415 0.877 -3.005) 4.632 28.709 ( -22.047 1.572 6.440) 23.022 29.319 ( -29.956 -10.418 -11.251) 33.652 31.898 ( 2.629 15.976 5.332) 17.046 32.727 ( 0.650 24.710 -25.400) 35.442 34.945 ( 8.787 -10.637 11.486) 17.952 35.177 ( 6.361 -6.236 1.389) 9.016 ======================= Grid point 270 (87/144) ======================= q-point: (-0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -0.675 5.877 11.842) 13.237 1.387 ( -19.146 7.349 11.999) 23.760 1.548 ( -5.382 0.335 -5.181) 7.478 1.911 ( -0.553 10.650 18.791) 21.607 2.289 ( -3.191 0.858 -13.541) 13.939 2.511 ( -22.957 12.660 23.629) 35.294 3.381 ( 10.068 7.090 -16.189) 20.340 3.694 ( -6.283 4.727 -5.593) 9.649 4.075 ( 4.804 -6.214 10.978) 13.499 4.236 ( -12.355 -1.554 -4.765) 13.332 4.763 ( -6.590 -0.202 -8.613) 10.846 5.135 ( -16.010 0.165 -9.631) 18.684 5.319 ( -4.521 16.020 5.529) 17.540 5.972 ( 0.970 -8.611 13.770) 16.269 6.362 ( 2.009 10.616 -13.483) 17.278 6.534 ( -3.872 1.527 -5.158) 6.627 8.444 ( 11.462 -25.283 7.684) 28.804 8.680 ( 7.514 -15.910 -0.421) 17.600 12.437 ( 1.682 2.930 3.216) 4.664 12.702 ( 2.238 0.271 -4.492) 5.026 13.614 ( -4.430 -2.151 3.434) 6.003 13.869 ( -3.394 2.285 -3.842) 5.612 16.695 ( 0.988 0.136 -0.232) 1.024 16.731 ( 1.066 0.942 -0.733) 1.600 16.947 ( -0.825 1.203 -0.311) 1.492 16.980 ( -0.370 3.387 -2.414) 4.175 19.209 ( 4.213 -3.647 6.648) 8.674 19.342 ( 2.362 -0.311 0.988) 2.579 27.943 ( 4.713 2.894 3.971) 6.808 28.131 ( 2.763 1.349 -1.482) 3.414 28.360 ( -13.597 3.858 2.666) 14.383 28.844 ( -34.604 -4.781 -12.059) 36.956 31.754 ( 0.926 14.875 4.475) 15.561 32.434 ( 0.362 29.520 -22.967) 37.404 35.236 ( 7.873 -13.103 7.968) 17.238 35.351 ( 5.335 -8.303 3.357) 10.424 ======================= Grid point 271 (88/144) ======================= q-point: (-0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -0.000 1.038 22.094) 22.118 1.001 ( 0.000 -0.034 12.110) 12.110 1.482 ( -0.000 0.138 -5.907) 5.909 1.952 ( -0.000 13.081 36.483) 38.758 1.966 ( -0.000 14.366 22.545) 26.733 2.285 ( 0.000 -1.551 -18.786) 18.850 3.446 ( -0.000 5.449 -10.234) 11.594 3.572 ( -0.000 4.116 -9.800) 10.630 4.102 ( 0.000 -1.786 -10.528) 10.678 4.219 ( 0.000 -13.377 10.640) 17.093 4.707 ( -0.000 4.661 -13.727) 14.496 4.892 ( -0.000 1.448 -14.460) 14.532 5.174 ( -0.000 12.001 15.148) 19.326 6.079 ( 0.000 -7.951 16.179) 18.027 6.199 ( -0.000 20.259 -19.852) 28.364 6.485 ( -0.000 0.763 2.013) 2.153 8.830 ( 0.000 -20.696 4.743) 21.232 8.933 ( 0.000 -18.114 2.045) 18.229 12.424 ( -0.000 1.831 3.641) 4.075 12.715 ( -0.000 0.953 -5.024) 5.113 13.592 ( 0.000 -1.650 2.545) 3.033 13.810 ( -0.000 2.378 -3.568) 4.288 16.712 ( 0.000 -0.396 0.305) 0.499 16.733 ( -0.000 0.702 -0.303) 0.764 16.921 ( -0.000 1.806 -0.830) 1.987 16.946 ( -0.000 2.553 -1.531) 2.977 19.297 ( 0.000 -3.892 3.568) 5.280 19.381 ( 0.000 -1.896 1.858) 2.655 27.950 ( -0.000 1.796 6.495) 6.739 28.182 ( -0.000 4.539 -1.384) 4.746 28.198 ( -0.000 4.601 -1.605) 4.873 28.427 ( -0.000 1.827 -6.976) 7.211 31.618 ( -0.000 10.797 3.682) 11.408 32.110 ( -0.000 28.674 -16.777) 33.221 35.399 ( 0.000 -5.968 4.268) 7.337 35.563 ( 0.000 -15.418 2.587) 15.633 ======================= Grid point 274 (89/144) ======================= q-point: ( 0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 10.892 -0.000 5.848) 12.363 1.870 ( 25.093 -0.000 -1.903) 25.165 2.132 ( 6.106 -0.000 1.289) 6.241 2.223 ( -0.159 0.000 -11.631) 11.632 3.109 ( 9.358 -0.000 -3.153) 9.875 3.220 ( 0.525 -0.000 6.089) 6.112 3.505 ( 19.909 -0.000 1.300) 19.951 3.698 ( -9.449 0.000 -2.073) 9.674 3.834 ( 6.703 -0.000 11.367) 13.196 4.173 ( -1.733 0.000 2.253) 2.842 5.044 ( 2.008 -0.000 9.718) 9.923 5.800 ( -0.488 0.000 -11.367) 11.378 6.120 ( 10.414 -0.000 3.635) 11.030 6.284 ( 10.672 -0.000 -6.063) 12.275 6.474 ( 14.796 -0.000 -4.795) 15.554 6.514 ( -5.096 0.000 -3.810) 6.363 7.840 ( -18.983 0.000 3.974) 19.395 8.009 ( -19.822 0.000 -1.355) 19.868 12.353 ( -0.216 0.000 3.050) 3.058 12.568 ( -1.801 0.000 -2.934) 3.443 13.900 ( 2.204 -0.000 4.460) 4.975 14.121 ( 3.970 -0.000 -2.300) 4.588 16.761 ( 3.728 -0.000 -0.180) 3.733 16.817 ( 5.295 -0.000 -3.942) 6.601 16.860 ( -0.217 0.000 1.150) 1.170 16.933 ( -0.252 0.000 -0.924) 0.958 18.989 ( -2.167 0.000 5.010) 5.459 19.185 ( -2.153 0.000 -1.456) 2.599 27.797 ( -0.509 0.000 1.831) 1.901 27.896 ( -4.474 0.000 -1.214) 4.636 29.480 ( 16.599 -0.000 11.317) 20.090 30.511 ( -3.597 0.000 -16.224) 16.618 31.779 ( 6.242 -0.000 -1.358) 6.388 32.184 ( 25.194 -0.000 -22.338) 33.671 34.809 ( -8.737 0.000 13.560) 16.132 34.971 ( -10.737 0.000 2.846) 11.108 ======================= Grid point 275 (90/144) ======================= q-point: ( 0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 9.249 0.260 3.487) 9.888 2.138 ( 2.595 3.275 -8.183) 9.188 2.241 ( 6.045 1.054 2.533) 6.638 2.347 ( 18.926 -1.101 1.255) 19.000 3.042 ( -12.529 -0.550 4.122) 13.201 3.236 ( 3.414 1.479 0.852) 3.817 3.550 ( -1.918 2.445 -4.374) 5.366 3.805 ( 10.611 -0.240 -4.485) 11.522 4.043 ( 8.981 1.480 7.552) 11.827 4.164 ( 2.842 -3.100 4.810) 6.389 5.075 ( 1.830 -0.075 7.772) 7.984 5.792 ( -0.551 0.317 -13.271) 13.286 6.239 ( 5.482 0.475 1.275) 5.648 6.337 ( -7.457 -0.178 -1.149) 7.547 6.465 ( 0.782 -2.160 -0.380) 2.328 6.673 ( 6.151 -0.844 -4.491) 7.663 7.532 ( -12.256 6.108 3.811) 14.214 7.729 ( -15.145 -4.642 -1.601) 15.921 12.357 ( 1.110 0.401 2.870) 3.103 12.546 ( -0.210 0.746 -2.412) 2.533 13.915 ( -0.300 0.198 4.457) 4.471 14.164 ( 1.388 0.422 -2.839) 3.188 16.816 ( 1.547 0.486 0.904) 1.856 16.856 ( 3.407 1.034 0.192) 3.566 16.896 ( -0.843 -1.719 -0.636) 2.018 16.962 ( 3.744 -1.768 -2.740) 4.965 18.968 ( -0.448 -0.056 4.134) 4.158 19.159 ( -1.339 -0.766 -1.808) 2.377 27.790 ( -0.286 0.509 0.832) 1.017 27.838 ( -2.871 -1.524 -0.643) 3.314 29.657 ( 4.590 0.721 9.570) 10.639 30.360 ( -9.144 4.728 -9.626) 14.093 31.922 ( 11.791 2.013 1.993) 12.126 32.622 ( 20.349 -5.561 -22.990) 31.202 34.698 ( -4.035 0.629 9.581) 10.415 34.795 ( -9.736 -0.656 3.724) 10.445 ======================= Grid point 276 (91/144) ======================= q-point: ( 0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 5.308 0.873 5.677) 7.821 2.099 ( -2.294 2.475 -5.053) 6.076 2.289 ( 3.986 7.548 7.049) 11.070 2.509 ( -2.767 1.030 15.242) 15.525 3.014 ( 9.949 -0.332 -10.560) 14.512 3.275 ( 4.045 -3.521 -7.772) 9.443 3.546 ( 2.501 4.455 -2.008) 5.489 3.864 ( 0.884 4.096 -5.200) 6.678 4.007 ( -7.134 -0.163 9.668) 12.017 4.338 ( 8.385 -0.299 -0.662) 8.416 5.120 ( 3.501 0.297 6.673) 7.541 5.749 ( -3.349 2.520 -12.798) 13.467 6.165 ( -11.429 -2.371 0.935) 11.709 6.314 ( 1.725 -1.252 -2.300) 3.135 6.476 ( -3.762 -3.346 2.377) 5.568 6.686 ( -5.720 -1.662 -2.436) 6.435 7.321 ( -5.041 4.713 5.875) 9.063 7.609 ( -6.397 -6.917 -2.438) 9.732 12.383 ( 2.715 0.804 2.639) 3.871 12.546 ( 1.642 1.634 -1.933) 3.017 13.886 ( -3.008 -0.115 4.439) 5.363 14.162 ( -0.865 0.707 -3.440) 3.617 16.814 ( -0.680 0.161 0.947) 1.177 16.872 ( -2.105 -0.258 -0.723) 2.240 16.923 ( 3.870 0.444 1.454) 4.158 17.048 ( 3.105 -1.861 -2.956) 4.674 18.971 ( 0.729 0.006 3.718) 3.788 19.156 ( -0.456 -1.479 -1.947) 2.487 27.772 ( -0.621 0.420 0.915) 1.183 27.846 ( 0.835 -2.447 -1.176) 2.840 29.628 ( -6.639 0.737 7.476) 10.026 30.127 ( -12.186 4.148 -6.544) 14.440 32.110 ( 14.136 5.160 5.122) 15.896 32.971 ( 15.220 -2.461 -21.974) 26.843 34.617 ( -5.746 0.232 5.543) 7.987 34.706 ( -1.731 -2.877 5.179) 6.172 ======================= Grid point 277 (92/144) ======================= q-point: (-0.55 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -1.694 3.605 8.015) 8.950 1.993 ( -7.937 1.918 2.987) 8.694 2.215 ( 1.845 12.718 4.805) 13.720 2.439 ( 0.664 2.660 5.192) 5.872 3.188 ( -3.956 -1.239 -9.114) 10.013 3.333 ( 5.695 0.938 -1.348) 5.928 3.565 ( 4.607 4.774 -5.944) 8.908 3.850 ( -9.276 0.520 12.090) 15.247 3.862 ( 6.776 2.414 -8.340) 11.014 4.400 ( 0.827 3.320 -5.139) 6.174 5.164 ( 2.375 2.044 5.615) 6.431 5.638 ( -5.685 0.971 -4.474) 7.299 5.992 ( -15.249 -4.036 -0.286) 15.777 6.295 ( -7.235 -3.733 -3.676) 8.933 6.454 ( -1.569 -2.900 -0.869) 3.410 6.558 ( -10.068 -1.891 -1.448) 10.346 7.261 ( 0.310 -1.137 8.647) 8.726 7.649 ( 0.751 -8.214 -3.231) 8.859 12.430 ( 4.104 1.474 2.270) 4.916 12.566 ( 3.121 2.166 -1.579) 4.114 13.819 ( -5.204 -0.644 4.601) 6.976 14.124 ( -2.417 0.852 -4.024) 4.771 16.793 ( -1.625 0.036 0.430) 1.682 16.830 ( -2.356 0.638 -0.620) 2.518 16.973 ( 2.559 0.556 1.593) 3.066 17.099 ( 1.026 -0.796 -2.754) 3.045 18.991 ( 1.565 -0.082 3.831) 4.139 19.176 ( 0.442 -2.015 -1.858) 2.776 27.775 ( 1.354 0.017 1.605) 2.100 27.909 ( 3.055 -2.735 -2.200) 4.653 29.430 ( -15.255 0.678 6.499) 16.596 29.857 ( -15.809 1.611 -5.448) 16.799 32.265 ( 13.273 10.064 6.775) 17.982 33.187 ( 10.808 3.755 -21.626) 24.467 34.545 ( -3.662 -3.135 7.643) 9.037 34.760 ( 2.999 -3.925 1.953) 5.312 ======================= Grid point 278 (93/144) ======================= q-point: (-0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -3.810 4.296 3.519) 6.735 1.786 ( -10.289 7.335 2.940) 12.973 2.109 ( 3.250 13.856 4.551) 14.942 2.451 ( 2.364 4.727 -2.564) 5.875 2.832 ( -26.735 1.071 -0.819) 26.769 3.431 ( -7.439 9.339 -5.480) 13.137 3.598 ( 16.614 -0.453 4.216) 17.146 3.711 ( -6.165 2.537 2.960) 7.294 4.037 ( 11.682 2.042 -1.497) 11.953 4.312 ( -4.626 3.972 -7.971) 10.035 5.144 ( -1.601 2.596 4.466) 5.408 5.588 ( -1.911 -4.188 5.938) 7.513 5.666 ( -25.655 -1.280 -0.391) 25.690 6.205 ( -9.486 -3.949 -8.629) 13.418 6.423 ( -6.029 -2.099 -3.264) 7.170 6.471 ( -0.997 -2.523 -3.190) 4.188 7.351 ( 3.751 -8.662 10.051) 13.789 7.801 ( 4.847 -10.430 -3.953) 12.162 12.484 ( 4.774 2.816 1.858) 5.846 12.603 ( 3.781 1.747 -1.488) 4.423 13.729 ( -6.262 -1.184 4.924) 8.054 14.064 ( -3.208 1.088 -4.532) 5.658 16.758 ( -2.304 0.272 -0.226) 2.331 16.785 ( -1.415 1.329 -0.746) 2.079 16.997 ( 1.013 0.692 1.290) 1.780 17.103 ( -0.726 0.258 -2.568) 2.681 19.026 ( 2.166 -0.486 4.490) 5.009 19.214 ( 1.210 -2.305 -1.483) 2.996 27.819 ( 3.864 0.055 2.281) 4.488 28.002 ( 4.219 -2.424 -2.933) 5.681 29.113 ( -20.216 0.987 6.331) 21.207 29.548 ( -20.286 -1.057 -5.728) 21.105 32.330 ( 10.416 15.038 7.187) 19.654 33.255 ( 6.725 10.931 -21.809) 25.305 34.576 ( 0.849 -6.804 9.666) 11.851 34.881 ( 4.933 -5.265 -0.308) 7.221 ======================= Grid point 279 (94/144) ======================= q-point: (-0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -10.954 16.220 -1.975) 19.672 1.561 ( -2.085 1.613 -4.703) 5.391 1.998 ( -3.528 12.364 5.298) 13.906 2.242 ( -17.043 3.716 1.807) 17.537 2.516 ( -5.078 5.554 2.977) 8.093 3.174 ( -10.889 9.388 5.980) 15.572 3.566 ( -2.431 6.936 -8.923) 11.561 3.834 ( 8.137 0.070 1.110) 8.212 4.052 ( -0.518 8.960 1.682) 9.132 4.296 ( 2.332 -1.930 -3.178) 4.390 5.020 ( -13.457 1.929 -0.846) 13.621 5.268 ( -14.713 -0.201 5.580) 15.736 5.649 ( 0.537 -6.737 10.946) 12.864 5.990 ( -13.672 5.561 -10.397) 18.054 6.423 ( 0.540 -2.612 -7.420) 7.885 6.488 ( -1.634 -5.760 -5.569) 8.176 7.571 ( 5.610 -16.366 9.862) 19.915 8.034 ( 6.556 -13.645 -4.255) 15.725 12.523 ( 4.240 4.429 1.599) 6.337 12.654 ( 3.577 0.622 -1.947) 4.120 13.639 ( -5.881 -1.567 5.146) 7.970 13.994 ( -3.257 1.626 -4.887) 6.094 16.716 ( -1.752 0.435 -0.328) 1.834 16.758 ( 0.079 1.422 -1.030) 1.758 16.994 ( -0.262 0.885 0.739) 1.183 17.075 ( -1.527 1.034 -2.535) 3.135 19.076 ( 2.484 -1.308 5.603) 6.267 19.264 ( 1.607 -2.336 -0.801) 2.946 27.902 ( 6.205 0.753 2.720) 6.817 28.094 ( 3.958 -1.138 -2.774) 4.966 28.746 ( -20.103 1.743 5.629) 20.949 29.188 ( -24.122 -2.257 -6.621) 25.116 32.288 ( 6.591 18.768 6.914) 21.059 33.186 ( 3.634 17.135 -22.187) 28.268 34.717 ( 4.465 -10.041 10.231) 15.014 35.033 ( 4.936 -6.502 -0.941) 8.218 ======================= Grid point 280 (95/144) ======================= q-point: (-0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -7.895 15.020 -0.025) 16.968 1.497 ( -7.494 4.842 0.153) 8.924 1.623 ( -15.968 6.538 -1.112) 17.290 2.142 ( 6.752 6.244 6.446) 11.231 2.376 ( -0.477 10.384 2.559) 10.705 2.811 ( -17.360 13.233 17.614) 28.049 3.533 ( 6.885 6.725 -14.513) 17.414 3.802 ( -5.325 4.326 -8.123) 10.633 4.043 ( 5.071 2.852 8.387) 10.208 4.221 ( -12.856 -0.140 1.752) 12.975 4.807 ( -0.820 3.674 -9.909) 10.600 5.122 ( -10.623 -1.123 -2.992) 11.093 5.654 ( -4.256 11.590 3.479) 12.827 5.775 ( -2.288 -7.049 11.953) 14.064 6.447 ( 0.748 -0.702 -5.430) 5.526 6.531 ( -1.121 -3.654 -12.358) 12.936 7.889 ( 5.224 -23.795 9.304) 26.078 8.307 ( 5.197 -16.806 -3.551) 17.946 12.528 ( 2.438 5.025 1.652) 5.825 12.703 ( 2.368 0.016 -3.104) 3.904 13.571 ( -3.876 -1.672 4.895) 6.464 13.922 ( -2.340 2.406 -5.012) 6.032 16.697 ( -0.197 -0.002 0.311) 0.368 16.754 ( 0.904 1.152 -1.012) 1.780 16.973 ( -0.753 1.046 0.148) 1.297 17.035 ( -1.247 1.626 -2.742) 3.423 19.138 ( 2.147 -2.693 6.758) 7.585 19.315 ( 1.347 -2.124 0.116) 2.518 27.999 ( 5.739 2.120 3.689) 7.144 28.157 ( 4.013 0.840 -0.783) 4.174 28.435 ( -11.967 2.651 2.047) 12.426 28.787 ( -23.967 -0.506 -7.057) 24.990 32.150 ( 2.780 20.295 6.359) 21.449 33.011 ( 1.546 22.371 -23.188) 32.257 34.930 ( 4.817 -13.399 9.638) 17.194 35.181 ( 3.186 -7.492 -0.201) 8.144 ======================= Grid point 281 (96/144) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.000 1.128 9.134) 9.203 1.134 ( -0.000 16.778 10.657) 19.876 1.515 ( -0.000 2.607 -7.682) 8.113 2.218 ( 0.000 -0.731 -5.623) 5.671 2.324 ( -0.000 15.869 18.005) 24.000 2.335 ( -0.000 17.885 19.237) 26.266 3.563 ( -0.000 5.220 -9.946) 11.233 3.685 ( -0.000 5.487 -10.454) 11.806 4.056 ( 0.000 -1.942 -3.504) 4.006 4.090 ( -0.000 0.313 9.841) 9.846 4.844 ( -0.000 7.317 -15.093) 16.773 4.911 ( -0.000 0.318 -13.826) 13.830 5.474 ( -0.000 14.259 12.321) 18.845 5.871 ( 0.000 -10.210 17.652) 20.392 6.477 ( 0.000 -1.619 -1.557) 2.246 6.500 ( -0.000 5.787 -18.237) 19.133 8.234 ( 0.000 -28.271 8.751) 29.595 8.551 ( 0.000 -18.083 -1.853) 18.177 12.496 ( -0.000 4.488 2.161) 4.981 12.725 ( -0.000 0.034 -4.326) 4.326 13.554 ( 0.000 -1.672 4.152) 4.476 13.870 ( -0.000 2.878 -4.728) 5.535 16.702 ( 0.000 -0.487 0.726) 0.874 16.752 ( -0.000 0.987 -0.693) 1.206 16.952 ( -0.000 1.241 -0.289) 1.274 17.003 ( -0.000 2.098 -2.866) 3.552 19.198 ( 0.000 -4.130 7.053) 8.173 19.350 ( 0.000 -1.680 0.964) 1.937 28.005 ( -0.000 3.013 6.547) 7.207 28.234 ( -0.000 1.411 0.309) 1.444 28.307 ( -0.000 3.562 -2.437) 4.316 28.483 ( -0.000 3.114 -6.962) 7.627 31.953 ( -0.000 18.949 5.603) 19.760 32.752 ( -0.000 26.882 -24.088) 36.096 35.142 ( 0.000 -15.662 8.290) 17.720 35.297 ( 0.000 -8.351 1.382) 8.464 ======================= Grid point 286 (97/144) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 5.951 -0.000 4.690) 7.577 2.120 ( -4.713 0.000 -4.344) 6.409 2.387 ( 7.607 -0.000 3.605) 8.418 2.517 ( -1.585 0.000 13.981) 14.071 2.996 ( 10.617 -0.000 -12.706) 16.558 3.256 ( 0.983 -0.000 -3.687) 3.816 3.618 ( 5.905 -0.000 -0.438) 5.922 3.874 ( -2.297 0.000 0.123) 2.300 4.055 ( -5.428 0.000 9.968) 11.350 4.294 ( 10.275 -0.000 -2.188) 10.505 5.132 ( 4.824 -0.000 4.974) 6.929 5.783 ( -1.599 0.000 -15.810) 15.891 6.136 ( -13.968 0.000 1.537) 14.052 6.302 ( 1.607 -0.000 -3.296) 3.667 6.426 ( -5.153 0.000 3.514) 6.237 6.667 ( -5.686 0.000 -2.321) 6.141 7.452 ( -11.798 0.000 2.425) 12.045 7.454 ( -2.487 0.000 1.408) 2.858 12.393 ( 2.827 -0.000 2.770) 3.958 12.565 ( 1.881 -0.000 -2.062) 2.791 13.885 ( -3.261 0.000 4.625) 5.659 14.170 ( -0.889 0.000 -3.573) 3.681 16.818 ( -1.076 0.000 0.626) 1.245 16.866 ( -1.377 0.000 -0.755) 1.571 16.929 ( 3.859 -0.000 1.268) 4.062 17.024 ( 3.926 -0.000 -2.223) 4.511 18.972 ( 0.833 -0.000 3.216) 3.322 19.138 ( -0.673 0.000 -1.857) 1.975 27.787 ( -1.255 0.000 0.057) 1.257 27.806 ( 1.285 -0.000 -0.376) 1.338 29.637 ( -6.883 0.000 7.786) 10.393 30.178 ( -14.250 0.000 -7.552) 16.128 32.178 ( 16.167 -0.000 3.938) 16.639 32.934 ( 18.574 -0.000 -19.642) 27.034 34.626 ( -8.981 0.000 4.596) 10.089 34.666 ( -0.278 0.000 5.621) 5.628 ======================= Grid point 287 (98/144) ======================= q-point: ( 0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 1.428 1.511 7.188) 7.483 1.999 ( -8.849 -0.259 5.758) 10.561 2.434 ( 0.905 5.301 4.509) 7.018 2.483 ( 2.835 1.302 3.485) 4.677 3.165 ( -0.356 -0.851 -11.215) 11.253 3.354 ( 10.013 0.711 -2.554) 10.358 3.649 ( 1.317 3.182 -0.965) 3.577 3.831 ( -1.648 -2.130 3.912) 4.749 3.961 ( -0.243 4.896 5.374) 7.274 4.405 ( 0.910 -1.779 -7.353) 7.619 5.221 ( 5.971 2.130 2.820) 6.939 5.689 ( -8.500 2.458 -12.767) 15.534 5.903 ( -15.133 -3.060 4.174) 15.993 6.254 ( -8.362 1.037 -2.404) 8.763 6.345 ( -5.429 -6.066 -1.623) 8.301 6.535 ( -8.067 -0.333 -1.254) 8.170 7.276 ( -5.819 1.656 7.322) 9.498 7.497 ( 2.141 -4.720 -0.435) 5.201 12.452 ( 4.372 0.531 2.580) 5.104 12.606 ( 3.514 1.143 -1.767) 4.096 13.809 ( -5.498 -0.204 4.947) 7.399 14.139 ( -2.368 0.398 -4.394) 5.007 16.793 ( -1.801 -0.029 0.318) 1.829 16.840 ( -1.531 0.238 -0.910) 1.797 16.983 ( 2.450 0.252 1.643) 2.960 17.079 ( 1.860 -0.661 -1.748) 2.636 18.992 ( 1.583 0.126 2.727) 3.155 19.137 ( -0.060 -1.121 -1.766) 2.093 27.785 ( 1.614 0.738 0.577) 1.866 27.852 ( 2.739 -1.974 -1.317) 3.624 29.443 ( -15.137 0.367 6.595) 16.516 29.896 ( -17.718 1.230 -6.378) 18.871 32.441 ( 17.004 4.842 5.537) 18.527 33.225 ( 15.149 0.297 -17.446) 23.107 34.495 ( -6.680 -1.247 6.503) 9.405 34.696 ( 2.597 -1.625 1.444) 3.387 ======================= Grid point 288 (99/144) ======================= q-point: (-0.55 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -3.577 4.792 5.152) 7.893 1.860 ( -6.855 0.582 9.982) 12.124 2.380 ( 1.722 8.945 0.129) 9.110 2.543 ( 5.915 3.303 -1.302) 6.899 2.886 ( -24.772 2.873 0.270) 24.940 3.522 ( -5.228 -1.060 10.776) 12.024 3.619 ( 12.100 3.428 -6.378) 14.101 3.849 ( 2.142 8.534 0.202) 8.801 4.026 ( 10.613 -2.160 -4.448) 11.709 4.369 ( -5.178 0.727 -9.045) 10.448 5.241 ( -0.391 5.188 0.659) 5.244 5.505 ( -12.574 -3.936 -7.906) 15.366 5.644 ( -16.296 0.091 10.084) 19.164 6.097 ( -9.307 -3.364 -3.362) 10.451 6.332 ( -5.560 -6.979 -4.371) 9.936 6.435 ( -4.139 -0.535 -4.619) 6.226 7.220 ( -1.981 -3.424 10.970) 11.661 7.615 ( 4.605 -6.053 -2.410) 7.979 12.526 ( 5.191 1.107 2.129) 5.719 12.654 ( 4.132 2.303 -1.485) 4.958 13.710 ( -6.418 -0.570 5.475) 8.455 14.086 ( -2.904 0.782 -5.142) 5.957 16.758 ( -2.295 -0.098 0.169) 2.304 16.810 ( -1.041 0.913 -1.116) 1.779 17.007 ( 0.848 0.278 1.472) 1.722 17.098 ( -0.298 -0.449 -1.655) 1.740 19.021 ( 1.873 0.055 2.837) 3.400 19.160 ( 0.531 -2.256 -1.564) 2.796 27.828 ( 4.517 0.818 1.176) 4.738 27.940 ( 4.319 -2.837 -2.006) 5.543 29.135 ( -19.591 0.839 6.080) 20.530 29.556 ( -20.572 1.008 -5.866) 21.415 32.627 ( 14.458 10.891 6.306) 19.168 33.425 ( 10.959 4.624 -17.097) 20.827 34.443 ( -2.889 -4.792 8.820) 10.445 34.784 ( 4.345 -3.273 -1.573) 5.663 ======================= Grid point 289 (100/144) ======================= q-point: (-0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -7.425 3.589 -0.513) 8.263 1.730 ( -5.011 5.876 3.281) 8.391 2.227 ( -15.061 8.841 3.064) 17.731 2.383 ( -8.625 8.562 0.507) 12.164 2.658 ( 4.456 5.623 4.169) 8.298 3.321 ( -11.824 3.627 8.761) 15.156 3.747 ( -0.149 9.593 -9.779) 13.699 3.846 ( 10.572 1.760 -2.745) 11.063 4.196 ( 0.349 -6.577 -1.170) 6.689 4.258 ( 1.154 8.904 -0.599) 8.998 5.085 ( -13.301 1.726 -3.865) 13.958 5.251 ( -15.273 -1.425 2.877) 15.607 5.540 ( 1.001 -1.409 9.285) 9.444 6.008 ( -7.640 -3.863 -6.623) 10.823 6.307 ( -3.486 -5.150 -6.364) 8.898 6.401 ( -3.074 -3.531 -6.751) 8.215 7.281 ( 0.555 -9.631 12.329) 15.655 7.782 ( 5.217 -8.869 -4.125) 11.086 12.598 ( 4.915 1.976 1.352) 5.467 12.692 ( 3.517 2.795 -1.232) 4.658 13.612 ( -5.765 -0.888 6.016) 8.379 14.027 ( -2.647 1.287 -5.692) 6.408 16.720 ( -2.094 -0.031 0.369) 2.126 16.788 ( -0.123 1.236 -1.328) 1.818 17.008 ( -0.325 0.376 0.903) 1.031 17.084 ( -1.435 -0.011 -1.834) 2.329 19.055 ( 1.788 -0.506 3.573) 4.027 19.202 ( 0.893 -3.034 -1.207) 3.385 27.919 ( 7.122 0.928 1.808) 7.407 28.053 ( 5.234 -2.393 -1.968) 6.083 28.782 ( -19.438 1.454 5.311) 20.203 29.181 ( -21.950 0.873 -5.812) 22.723 32.685 ( 9.863 16.344 6.562) 20.186 33.487 ( 6.148 10.384 -17.251) 21.053 34.507 ( 1.259 -8.851 9.692) 13.186 34.906 ( 4.389 -4.790 -2.921) 7.124 ======================= Grid point 290 (101/144) ======================= q-point: (-0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -21.331 4.197 0.248) 21.741 1.620 ( 0.201 5.115 -7.515) 9.093 1.858 ( -9.310 12.717 8.067) 17.705 2.249 ( -0.958 7.214 -1.698) 7.473 2.661 ( 7.577 11.856 8.542) 16.461 3.049 ( -13.123 7.872 11.599) 19.202 3.687 ( 4.511 7.059 -14.424) 16.680 3.865 ( -3.961 2.169 -10.984) 11.876 4.178 ( -0.986 8.261 7.798) 11.403 4.213 ( -3.433 -0.666 8.189) 8.904 4.878 ( -3.970 1.271 -6.142) 7.423 5.101 ( -6.335 -0.652 0.279) 6.375 5.601 ( 1.359 -4.083 10.617) 11.456 5.879 ( -6.317 4.400 -4.154) 8.748 6.367 ( 0.282 -9.312 -10.488) 14.028 6.395 ( -2.355 -3.949 -6.593) 8.038 7.442 ( 1.336 -16.248 12.046) 20.271 7.980 ( 3.865 -12.444 -4.976) 13.948 12.636 ( 3.039 4.014 0.559) 5.066 12.715 ( 2.087 1.497 -1.339) 2.896 13.541 ( -3.548 -1.059 6.193) 7.216 13.971 ( -1.705 1.947 -5.943) 6.482 16.694 ( -1.003 -0.223 0.943) 1.395 16.780 ( 0.571 1.130 -1.355) 1.854 16.991 ( -0.778 0.629 0.334) 1.055 17.057 ( -1.241 0.495 -2.265) 2.629 19.092 ( 1.262 -1.455 4.767) 5.141 19.253 ( 0.769 -3.362 -0.687) 3.516 28.037 ( 7.297 1.455 3.179) 8.091 28.163 ( 5.983 -0.344 -0.347) 6.002 28.478 ( -13.066 1.409 2.336) 13.348 28.806 ( -19.593 1.738 -6.005) 20.566 32.606 ( 4.629 20.170 6.669) 21.742 33.418 ( 2.500 14.922 -17.850) 23.399 34.658 ( 2.483 -11.532 9.074) 14.882 35.029 ( 2.762 -6.122 -2.808) 7.280 ======================= Grid point 291 (102/144) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 2.101 6.837) 7.153 1.585 ( -0.000 3.475 -9.707) 10.311 1.586 ( -0.000 21.251 4.313) 21.684 2.192 ( -0.000 1.142 -6.507) 6.607 2.682 ( -0.000 13.875 15.570) 20.855 2.705 ( -0.000 14.988 15.274) 21.400 3.695 ( -0.000 7.157 -11.844) 13.838 3.773 ( -0.000 1.449 -15.876) 15.942 4.050 ( -0.000 2.406 9.508) 9.808 4.168 ( -0.000 5.778 8.611) 10.370 4.896 ( 0.000 -1.810 -6.888) 7.122 4.996 ( -0.000 5.362 -11.362) 12.563 5.669 ( 0.000 -7.039 14.565) 16.177 5.746 ( -0.000 9.316 3.946) 10.117 6.417 ( 0.000 -3.726 -5.461) 6.611 6.470 ( 0.000 -7.290 -13.117) 15.007 7.670 ( 0.000 -22.094 10.773) 24.581 8.171 ( 0.000 -15.564 -4.636) 16.240 12.609 ( -0.000 5.370 0.667) 5.412 12.726 ( -0.000 0.260 -2.283) 2.298 13.522 ( 0.000 -1.210 5.751) 5.877 13.931 ( -0.000 2.499 -5.764) 6.283 16.691 ( 0.000 -0.509 1.233) 1.334 16.775 ( -0.000 1.033 -1.148) 1.544 16.975 ( -0.000 0.824 0.030) 0.824 17.037 ( -0.000 1.014 -2.656) 2.843 19.126 ( 0.000 -2.457 6.012) 6.494 19.297 ( 0.000 -3.137 -0.133) 3.140 28.076 ( -0.000 3.263 6.633) 7.392 28.247 ( 0.000 -0.008 1.275) 1.275 28.356 ( -0.000 1.033 -2.064) 2.308 28.557 ( -0.000 3.448 -6.967) 7.773 32.411 ( -0.000 21.693 6.693) 22.702 33.253 ( -0.000 18.772 -20.064) 27.476 34.821 ( 0.000 -13.314 8.774) 15.946 35.127 ( 0.000 -7.164 -1.738) 7.372 ======================= Grid point 298 (103/144) ======================= q-point: ( 0.36 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.862 0.000 4.749) 4.827 1.846 ( -8.283 0.000 11.316) 14.023 2.479 ( 2.927 -0.000 4.822) 5.640 2.582 ( 5.726 -0.000 -4.788) 7.464 2.920 ( -24.621 0.000 1.178) 24.649 3.504 ( -3.081 0.000 11.892) 12.284 3.667 ( 10.745 -0.000 -7.305) 12.993 3.939 ( 9.097 -0.000 -0.684) 9.123 4.025 ( 3.182 -0.000 -0.346) 3.200 4.360 ( -2.751 0.000 -12.993) 13.281 5.320 ( 1.790 -0.000 0.377) 1.829 5.437 ( -21.804 0.000 -10.006) 23.990 5.652 ( -10.710 0.000 9.960) 14.626 6.108 ( -10.269 0.000 1.480) 10.375 6.190 ( -4.897 0.000 -8.482) 9.794 6.431 ( -4.954 0.000 -4.846) 6.930 7.186 ( -4.398 0.000 11.151) 11.987 7.547 ( 5.272 -0.000 -1.607) 5.511 12.538 ( 5.139 -0.000 2.428) 5.684 12.682 ( 4.384 -0.000 -1.638) 4.680 13.704 ( -6.465 0.000 5.697) 8.617 14.095 ( -2.837 0.000 -5.359) 6.063 16.757 ( -2.281 0.000 0.340) 2.306 16.821 ( -0.907 0.000 -1.367) 1.641 17.010 ( 0.712 -0.000 1.558) 1.713 17.092 ( 0.014 -0.000 -1.243) 1.243 19.024 ( 1.894 -0.000 2.035) 2.780 19.132 ( 0.193 -0.000 -1.490) 1.502 27.846 ( 4.971 -0.000 0.324) 4.981 27.899 ( 4.185 -0.000 -1.202) 4.354 29.145 ( -19.404 0.000 6.060) 20.328 29.570 ( -20.875 0.000 -6.098) 21.748 32.757 ( 15.928 -0.000 5.347) 16.802 33.471 ( 12.976 -0.000 -14.537) 19.486 34.387 ( -4.767 0.000 8.390) 9.650 34.747 ( 4.229 -0.000 -2.125) 4.733 ======================= Grid point 300 (104/144) ======================= q-point: (-0.55 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -11.046 1.936 6.250) 12.839 1.790 ( -3.164 0.738 -0.419) 3.276 2.400 ( -20.600 5.992 16.696) 27.185 2.543 ( -0.488 4.712 -1.311) 4.915 2.698 ( 6.029 -1.621 -2.651) 6.783 3.360 ( -10.197 0.678 10.004) 14.301 3.882 ( 5.683 4.279 -0.603) 7.140 3.968 ( 4.625 2.374 -9.082) 10.465 4.064 ( -0.482 -1.506 -6.023) 6.227 4.400 ( 7.751 3.031 -5.619) 10.042 5.041 ( -23.281 -3.310 -3.078) 23.716 5.230 ( -11.056 -0.495 4.833) 12.077 5.576 ( 1.715 2.044 4.777) 5.472 5.944 ( -6.825 0.499 -1.601) 7.028 6.173 ( -3.489 -6.645 -7.499) 10.610 6.351 ( -4.693 -0.818 -8.106) 9.403 7.148 ( -1.632 -2.737 13.228) 13.607 7.652 ( 4.789 -2.977 -3.709) 6.749 12.621 ( 4.651 0.422 2.052) 5.101 12.747 ( 3.930 1.538 -1.485) 4.474 13.599 ( -5.699 -0.283 6.535) 8.675 14.047 ( -2.427 0.487 -6.112) 6.594 16.718 ( -2.186 -0.079 0.827) 2.338 16.808 ( -0.295 0.498 -1.656) 1.754 17.012 ( -0.302 0.070 0.997) 1.044 17.081 ( -1.184 -0.123 -1.337) 1.790 19.053 ( 1.641 0.217 1.943) 2.553 19.146 ( 0.418 -1.677 -1.222) 2.117 27.946 ( 7.670 1.554 0.621) 7.850 27.999 ( 6.037 -2.267 -0.817) 6.500 28.806 ( -19.291 0.582 5.247) 20.000 29.201 ( -21.509 0.630 -5.875) 22.305 32.956 ( 11.600 7.092 5.031) 14.497 33.643 ( 8.858 3.712 -13.898) 16.894 34.351 ( -1.692 -4.365 10.319) 11.331 34.832 ( 4.303 -1.768 -4.220) 6.281 ======================= Grid point 301 (105/144) ======================= q-point: (-0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -22.724 1.288 1.832) 22.834 1.709 ( -2.713 2.911 -8.726) 9.591 2.070 ( -6.917 6.701 23.574) 25.465 2.483 ( 1.635 11.698 -3.073) 12.205 2.813 ( 6.619 1.349 1.307) 6.880 3.165 ( -9.992 3.292 9.068) 13.889 3.776 ( -5.252 0.733 -11.131) 12.329 3.985 ( 0.553 8.553 -15.707) 17.893 4.170 ( 6.455 -1.788 10.660) 12.590 4.392 ( -1.212 9.947 5.335) 11.352 4.823 ( -7.552 -6.519 -3.879) 10.704 5.070 ( -7.897 -2.336 7.124) 10.889 5.598 ( 3.412 2.880 -0.133) 4.467 5.873 ( -3.956 -2.891 -1.941) 5.270 6.189 ( -2.468 -6.343 -8.258) 10.701 6.306 ( -2.903 -3.381 -9.775) 10.743 7.188 ( -0.176 -7.017 13.941) 15.609 7.772 ( 3.086 -6.416 -5.275) 8.861 12.680 ( 2.890 0.687 1.351) 3.263 12.776 ( 2.255 2.965 -1.266) 3.934 13.524 ( -3.382 -0.500 7.083) 7.865 14.005 ( -1.426 1.079 -6.521) 6.762 16.689 ( -1.326 -0.212 1.457) 1.981 16.801 ( 0.183 0.706 -1.688) 1.839 17.002 ( -0.577 0.328 0.350) 0.750 17.061 ( -1.071 -0.017 -1.761) 2.061 19.075 ( 0.967 -0.138 2.533) 2.715 19.180 ( 0.423 -2.961 -1.001) 3.154 28.067 ( 7.937 1.306 2.429) 8.402 28.144 ( 8.261 -1.228 0.044) 8.352 28.502 ( -14.541 0.795 2.852) 14.839 28.844 ( -18.179 1.450 -6.003) 19.200 32.990 ( 5.794 13.616 5.190) 15.681 33.679 ( 3.670 8.885 -13.603) 16.657 34.425 ( 0.793 -9.268 10.014) 13.667 34.922 ( 2.694 -3.412 -4.751) 6.440 ======================= Grid point 302 (106/144) ======================= q-point: (-0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.000 1.941 5.460) 5.795 1.657 ( -0.000 2.922 -11.582) 11.944 1.939 ( -0.000 9.675 15.767) 18.499 2.349 ( -0.000 13.077 -3.940) 13.658 2.880 ( -0.000 3.656 5.211) 6.366 2.972 ( -0.000 9.008 11.527) 14.629 3.749 ( 0.000 -2.549 -14.355) 14.580 3.883 ( -0.000 9.669 -14.694) 17.590 4.160 ( -0.000 6.461 15.566) 16.854 4.304 ( -0.000 5.824 6.727) 8.898 4.833 ( 0.000 -3.947 -3.580) 5.329 5.031 ( 0.000 -2.185 2.559) 3.365 5.606 ( -0.000 1.326 1.396) 1.926 5.851 ( -0.000 0.144 -0.379) 0.406 6.258 ( 0.000 -9.680 -10.478) 14.265 6.325 ( 0.000 -4.309 -9.030) 10.006 7.292 ( 0.000 -12.030 13.727) 18.252 7.890 ( 0.000 -9.837 -5.636) 11.337 12.695 ( -0.000 1.635 0.518) 1.715 12.759 ( -0.000 3.232 -1.049) 3.398 13.501 ( 0.000 -0.696 6.977) 7.011 13.977 ( -0.000 1.664 -6.494) 6.703 16.681 ( 0.000 -0.392 1.698) 1.743 16.795 ( -0.000 0.778 -1.553) 1.737 16.990 ( -0.000 0.577 0.112) 0.588 17.050 ( -0.000 0.247 -2.167) 2.181 19.089 ( 0.000 -0.901 3.600) 3.711 19.220 ( 0.000 -3.538 -0.803) 3.629 28.141 ( -0.000 2.479 6.729) 7.171 28.244 ( 0.000 -0.124 1.482) 1.487 28.360 ( 0.000 -0.488 -1.886) 1.948 28.627 ( -0.000 2.675 -6.995) 7.489 32.862 ( -0.000 18.234 5.885) 19.160 33.590 ( -0.000 12.234 -14.537) 18.999 34.551 ( 0.000 -11.336 8.891) 14.406 34.992 ( 0.000 -4.912 -4.157) 6.434 ======================= Grid point 311 (107/144) ======================= q-point: ( 0.45 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -22.741 0.000 2.437) 22.871 1.742 ( -3.081 0.000 -9.413) 9.905 2.152 ( -8.163 0.000 32.422) 33.434 2.654 ( 4.710 -0.000 1.600) 4.974 2.779 ( 4.937 -0.000 -7.633) 9.090 3.203 ( -8.490 0.000 8.602) 12.087 3.777 ( -9.220 0.000 -9.912) 13.537 4.086 ( 2.338 -0.000 -6.174) 6.602 4.177 ( 10.696 -0.000 -0.574) 10.711 4.580 ( 8.131 -0.000 -2.750) 8.583 4.651 ( -17.420 0.000 1.847) 17.517 5.033 ( -9.629 0.000 9.423) 13.473 5.642 ( 3.404 -0.000 -2.478) 4.211 5.848 ( -4.896 0.000 -0.054) 4.896 6.099 ( -0.910 0.000 -7.473) 7.528 6.270 ( -3.778 0.000 -10.577) 11.232 7.115 ( -0.537 0.000 13.753) 13.763 7.701 ( 2.754 -0.000 -5.350) 6.017 12.687 ( 2.729 -0.000 1.966) 3.363 12.811 ( 2.387 -0.000 -1.501) 2.819 13.519 ( -3.332 0.000 7.399) 8.114 14.017 ( -1.354 0.000 -6.716) 6.851 16.686 ( -1.392 0.000 1.652) 2.160 16.809 ( 0.008 -0.000 -1.831) 1.831 17.005 ( -0.398 0.000 0.317) 0.509 17.060 ( -1.042 0.000 -1.534) 1.854 19.078 ( 0.974 -0.000 1.503) 1.791 19.141 ( 0.232 -0.000 -0.952) 0.980 28.088 ( 6.929 -0.000 2.021) 7.217 28.123 ( 10.308 -0.000 0.276) 10.312 28.511 ( -15.105 0.000 3.067) 15.414 28.861 ( -17.874 0.000 -6.063) 18.875 33.150 ( 6.096 -0.000 3.910) 7.242 33.789 ( 5.034 -0.000 -13.129) 14.061 34.303 ( -0.621 0.000 12.176) 12.192 34.884 ( 2.714 -0.000 -5.530) 6.160 ======================= Grid point 313 (108/144) ======================= q-point: (-0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.000 0.773 4.825) 4.887 1.704 ( -0.000 1.160 -12.874) 12.926 2.076 ( -0.000 3.481 31.443) 31.635 2.634 ( -0.000 10.050 -1.487) 10.160 2.862 ( 0.000 -3.886 -4.606) 6.026 3.101 ( -0.000 2.872 9.283) 9.717 3.699 ( 0.000 -1.419 -10.743) 10.836 4.073 ( -0.000 5.660 -14.704) 15.756 4.283 ( -0.000 3.589 17.332) 17.700 4.426 ( -0.000 5.814 -1.399) 5.980 4.708 ( 0.000 -7.089 -3.856) 8.070 4.958 ( 0.000 -2.731 10.645) 10.989 5.665 ( -0.000 2.307 -6.293) 6.703 5.809 ( 0.000 -1.797 1.534) 2.362 6.112 ( 0.000 -3.432 -7.157) 7.937 6.247 ( 0.000 -2.216 -11.585) 11.795 7.129 ( 0.000 -3.357 13.962) 14.360 7.743 ( 0.000 -3.393 -5.968) 6.865 12.710 ( -0.000 0.213 1.704) 1.717 12.822 ( -0.000 1.724 -1.429) 2.240 13.491 ( 0.000 -0.224 7.634) 7.637 14.002 ( -0.000 0.582 -6.865) 6.890 16.675 ( 0.000 -0.148 1.976) 1.982 16.807 ( -0.000 0.288 -1.791) 1.815 17.000 ( -0.000 0.281 0.022) 0.282 17.051 ( 0.000 -0.062 -1.767) 1.768 19.084 ( -0.000 0.272 1.732) 1.753 19.155 ( 0.000 -1.994 -0.884) 2.181 28.179 ( -0.000 0.921 6.795) 6.857 28.244 ( -0.000 0.067 1.258) 1.259 28.346 ( 0.000 -0.491 -1.651) 1.723 28.668 ( -0.000 1.007 -7.023) 7.095 33.159 ( -0.000 7.602 3.987) 8.584 33.796 ( -0.000 6.016 -12.652) 14.010 34.339 ( 0.000 -6.714 11.577) 13.383 34.918 ( 0.000 -1.741 -5.633) 5.896 ======================= Grid point 375 (109/144) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 0.000 8.026) 8.026 1.355 ( 0.000 0.000 -7.309) 7.309 1.437 ( 0.000 0.000 23.487) 23.487 1.892 ( 0.000 0.000 -21.943) 21.943 2.385 ( 0.000 0.000 33.066) 33.066 2.530 ( 0.000 0.000 32.318) 32.318 3.046 ( 0.000 0.000 -31.854) 31.854 3.064 ( 0.000 0.000 -20.948) 20.948 4.150 ( 0.000 0.000 9.884) 9.884 4.392 ( 0.000 0.000 -13.267) 13.267 4.586 ( 0.000 0.000 3.725) 3.725 4.686 ( 0.000 0.000 -6.242) 6.242 5.293 ( 0.000 0.000 14.628) 14.628 5.587 ( 0.000 0.000 -14.679) 14.679 6.409 ( 0.000 0.000 8.001) 8.001 6.498 ( 0.000 0.000 -1.125) 1.125 9.105 ( 0.000 0.000 3.972) 3.972 9.176 ( 0.000 0.000 -3.073) 3.073 12.501 ( 0.000 0.000 5.060) 5.060 12.604 ( 0.000 0.000 -5.085) 5.085 13.658 ( 0.000 0.000 2.663) 2.663 13.718 ( 0.000 0.000 -3.196) 3.196 16.720 ( 0.000 0.000 0.061) 0.061 16.721 ( 0.000 0.000 -0.065) 0.065 16.893 ( 0.000 0.000 0.552) 0.552 16.906 ( 0.000 0.000 -0.741) 0.741 19.365 ( 0.000 0.000 1.728) 1.728 19.398 ( 0.000 0.000 -1.595) 1.595 28.080 ( 0.000 0.000 8.278) 8.278 28.104 ( 0.000 0.000 1.356) 1.356 28.133 ( 0.000 0.000 -1.475) 1.475 28.250 ( 0.000 0.000 -8.503) 8.503 31.565 ( 0.000 0.000 3.775) 3.775 31.647 ( 0.000 0.000 -4.295) 4.295 35.570 ( 0.000 0.000 5.653) 5.653 35.679 ( 0.000 0.000 -5.188) 5.188 ======================= Grid point 376 (110/144) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 6.369 9.484 14.528) 18.481 1.465 ( 11.934 0.414 -2.720) 12.247 1.520 ( 10.302 -4.024 12.991) 17.062 1.891 ( 0.648 -0.824 -19.029) 19.058 2.205 ( -6.124 -4.887 26.120) 27.270 2.759 ( -12.221 -1.849 -22.279) 25.478 2.907 ( 20.397 -5.876 22.599) 31.004 3.368 ( 15.180 -2.412 -18.691) 24.199 4.342 ( 14.151 1.291 10.398) 17.608 4.476 ( -5.820 7.779 6.748) 11.829 4.632 ( 21.303 1.947 -10.793) 23.961 4.714 ( 14.018 -1.806 -13.925) 19.841 5.344 ( -0.866 -8.676 15.345) 17.649 5.654 ( -0.838 -11.246 -15.670) 19.306 6.389 ( -0.274 2.642 8.473) 8.880 6.496 ( 0.275 0.800 -2.451) 2.593 8.942 ( -12.819 9.139 2.718) 15.976 8.981 ( -14.340 9.441 -1.018) 17.199 12.494 ( -1.080 -0.324 4.975) 5.102 12.595 ( -1.297 -0.336 -5.044) 5.219 13.707 ( 5.363 0.503 2.795) 6.068 13.767 ( 5.008 -0.441 -3.170) 5.944 16.693 ( -2.595 -0.135 0.403) 2.630 16.704 ( -1.799 -0.290 -0.572) 1.909 16.901 ( 0.141 -1.465 0.529) 1.564 16.915 ( 0.391 -0.884 -0.785) 1.245 19.331 ( -3.703 0.809 1.422) 4.049 19.348 ( -4.610 -0.284 -0.183) 4.622 27.975 ( -4.631 -1.451 4.368) 6.529 28.052 ( -4.279 -1.086 -3.290) 5.506 28.406 ( 23.974 -1.253 8.070) 25.326 28.617 ( 33.064 -0.028 -13.388) 35.672 31.597 ( -0.523 -6.869 4.317) 8.130 31.697 ( -0.723 -10.298 -5.762) 11.823 35.497 ( -5.765 3.734 4.496) 8.209 35.571 ( -8.348 5.233 -2.469) 10.158 ======================= Grid point 377 (111/144) ======================= q-point: ( 0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 8.292 9.443 17.122) 21.239 1.580 ( 8.295 10.362 -12.062) 17.935 1.733 ( 2.328 -9.996 16.827) 19.710 2.002 ( 6.137 -5.940 -10.942) 13.880 2.390 ( 19.515 -4.634 7.460) 21.400 2.669 ( 0.126 -4.426 -18.192) 18.724 3.325 ( 19.287 -6.338 18.209) 27.272 3.628 ( 11.758 -3.048 -11.236) 16.547 4.242 ( -10.490 7.942 7.146) 14.972 4.309 ( -8.198 4.198 -0.029) 9.210 5.099 ( 34.893 0.689 1.509) 34.932 5.257 ( 32.702 -2.715 -13.568) 35.509 5.414 ( -2.435 -10.182 16.297) 19.370 5.748 ( -3.003 -10.065 -16.706) 19.734 6.362 ( 0.705 1.997 7.880) 8.160 6.490 ( 0.261 1.099 -4.857) 4.987 8.509 ( -19.585 14.214 4.876) 24.686 8.587 ( -17.651 11.084 -2.839) 21.035 12.472 ( -1.903 -0.517 4.656) 5.057 12.567 ( -2.336 -0.244 -4.686) 5.242 13.802 ( 6.447 1.336 3.544) 7.477 13.872 ( 6.393 0.123 -3.374) 7.230 16.669 ( -0.248 -0.937 0.299) 1.015 16.686 ( -0.443 -0.796 -1.123) 1.446 16.929 ( 0.150 -2.815 0.170) 2.824 16.936 ( 0.356 -1.698 -0.511) 1.809 19.236 ( -5.458 0.381 3.321) 6.400 19.279 ( -4.218 -0.467 -1.210) 4.413 27.927 ( -3.208 -1.204 3.982) 5.253 28.003 ( -3.507 -1.299 -3.512) 5.130 28.881 ( 29.299 0.740 12.838) 31.997 29.200 ( 35.139 5.675 -19.284) 40.482 31.699 ( 0.142 -11.948 5.559) 13.179 31.848 ( 0.224 -17.760 -9.796) 20.283 35.303 ( -9.958 6.835 3.789) 12.658 35.338 ( -9.895 5.716 0.410) 11.434 ======================= Grid point 378 (112/144) ======================= q-point: ( 0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 12.949 1.739 10.309) 16.642 1.616 ( 8.646 6.612 -9.927) 14.732 1.889 ( 6.091 -8.782 12.038) 16.098 2.120 ( 0.864 -5.845 -10.042) 11.651 2.812 ( 21.353 -0.823 -1.178) 21.401 2.856 ( 15.269 -3.791 -5.754) 16.751 3.670 ( 10.581 -5.549 8.584) 14.712 3.781 ( -1.533 -0.489 -1.893) 2.484 3.998 ( -5.963 3.433 6.675) 9.587 4.112 ( -6.772 2.810 -4.676) 8.696 5.390 ( -3.150 -1.939 14.065) 14.543 5.595 ( 12.349 -0.942 -4.050) 13.030 5.788 ( 16.261 -3.037 -1.666) 16.626 5.889 ( 23.128 -3.899 -11.705) 26.213 6.380 ( 2.406 -0.816 4.029) 4.763 6.480 ( -0.386 0.496 -5.348) 5.385 8.040 ( -17.382 11.945 7.410) 22.354 8.175 ( -16.198 9.692 -5.902) 19.777 12.443 ( -2.135 -0.545 4.063) 4.622 12.524 ( -2.678 0.035 -3.959) 4.780 13.888 ( 5.363 1.555 4.259) 7.023 13.969 ( 5.315 0.723 -3.750) 6.545 16.708 ( 3.019 -1.300 -0.206) 3.293 16.714 ( 2.462 -1.169 -0.685) 2.810 16.956 ( -0.391 -2.069 0.170) 2.112 16.964 ( -0.210 -3.171 -0.749) 3.265 19.152 ( -4.104 -0.078 4.284) 5.933 19.218 ( -3.498 -0.455 -2.376) 4.253 27.886 ( -2.792 -0.497 3.527) 4.525 27.954 ( -3.668 -1.007 -3.274) 5.019 29.327 ( 24.529 3.383 13.426) 28.167 29.626 ( 24.352 9.332 -16.104) 30.651 31.851 ( 1.075 -13.054 8.069) 15.384 32.079 ( 2.515 -18.613 -15.336) 24.248 35.057 ( -9.109 6.308 5.718) 12.469 35.122 ( -8.677 4.896 -0.869) 10.000 ======================= Grid point 379 (113/144) ======================= q-point: ( 0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 7.489 -2.754 6.288) 10.159 1.724 ( 7.891 1.645 -6.384) 10.282 2.169 ( 15.892 -6.498 5.825) 18.131 2.236 ( 7.528 -6.326 -2.247) 10.086 3.074 ( 9.889 -1.663 -0.277) 10.032 3.166 ( 14.033 2.004 -7.564) 16.068 3.510 ( -18.249 2.546 9.244) 20.615 3.679 ( -12.310 0.716 -7.368) 14.364 4.046 ( 8.882 -0.117 6.198) 10.831 4.132 ( 5.156 -1.233 -2.709) 5.953 5.351 ( -2.263 -0.518 12.246) 12.464 5.589 ( -3.585 0.966 -10.962) 11.574 6.136 ( 15.593 0.258 5.876) 16.665 6.253 ( 11.801 -0.405 -5.945) 13.220 6.482 ( 4.184 -1.468 -1.265) 4.610 6.490 ( 6.910 -2.549 -2.154) 7.674 7.679 ( -12.203 7.400 8.884) 16.811 7.848 ( -11.523 6.116 -7.793) 15.196 12.415 ( -1.635 -0.451 3.321) 3.729 12.480 ( -2.126 0.213 -3.097) 3.763 13.950 ( 3.598 1.130 4.474) 5.851 14.035 ( 3.437 0.735 -3.969) 5.301 16.782 ( 3.923 -0.840 0.186) 4.016 16.786 ( 3.991 -0.882 -0.232) 4.094 16.961 ( -1.441 -1.593 0.976) 2.359 16.990 ( -0.726 -2.796 -2.043) 3.539 19.097 ( -2.450 -0.156 4.496) 5.122 19.173 ( -2.239 -0.317 -3.025) 3.777 27.846 ( -1.999 0.026 2.900) 3.523 27.904 ( -3.067 -0.531 -2.793) 4.182 29.627 ( 15.238 3.565 10.857) 19.046 29.845 ( 12.980 7.355 -10.474) 18.228 32.003 ( 1.382 -9.836 11.200) 14.971 32.308 ( 3.063 -13.007 -19.655) 23.768 34.874 ( -5.574 4.067 5.990) 9.137 34.947 ( -6.116 3.308 -1.322) 7.078 ======================= Grid point 380 (114/144) ======================= q-point: ( 0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 2.153 -1.519 3.956) 4.754 1.801 ( 1.908 -0.121 -6.028) 6.324 2.434 ( 9.730 -2.669 15.418) 18.426 2.599 ( 21.058 -6.968 1.497) 22.231 3.034 ( -19.888 6.421 2.761) 21.081 3.156 ( -2.530 -1.587 -10.210) 10.637 3.392 ( 3.037 -0.048 -0.958) 3.185 3.493 ( -4.268 2.068 -9.516) 10.632 4.162 ( 4.931 1.310 3.751) 6.332 4.199 ( 0.428 -1.368 0.041) 1.434 5.333 ( -0.549 -0.253 10.292) 10.310 5.536 ( -1.230 0.635 -9.806) 9.903 6.277 ( 4.169 0.622 1.749) 4.563 6.317 ( -0.811 0.263 -2.116) 2.282 6.594 ( 5.210 -1.340 3.072) 6.195 6.666 ( 5.783 -1.287 -3.934) 7.112 7.472 ( -4.973 2.616 9.806) 11.302 7.662 ( -4.495 2.082 -8.917) 10.201 12.400 ( -0.600 -0.195 2.748) 2.819 12.452 ( -0.815 0.131 -2.462) 2.596 13.983 ( 1.287 0.404 4.447) 4.647 14.069 ( 1.197 0.296 -4.005) 4.190 16.842 ( 1.905 -0.146 0.907) 2.115 16.854 ( 2.803 -0.227 -0.316) 2.830 16.944 ( -1.747 -0.726 2.190) 2.894 17.001 ( -0.519 -1.200 -3.505) 3.741 19.071 ( -0.813 -0.063 4.496) 4.569 19.149 ( -0.768 -0.108 -3.299) 3.389 27.822 ( -0.702 0.096 2.349) 2.454 27.869 ( -1.248 -0.156 -2.332) 2.649 29.772 ( 5.118 1.423 8.462) 9.991 29.930 ( 3.942 2.663 -6.995) 8.459 32.097 ( 0.632 -3.603 13.212) 13.709 32.446 ( 1.314 -4.558 -21.719) 22.231 34.781 ( -1.805 1.409 5.556) 6.009 34.850 ( -2.225 1.144 -1.064) 2.718 ======================= Grid point 387 (115/144) ======================= q-point: ( 0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 3.323 -0.000 20.269) 20.540 1.536 ( 5.627 -0.000 17.356) 18.245 1.765 ( 13.503 -0.000 -5.630) 14.629 1.881 ( 1.408 -0.000 -18.668) 18.721 2.331 ( 21.790 -0.000 6.978) 22.880 2.621 ( 1.331 -0.000 -20.392) 20.436 3.246 ( 20.126 -0.000 22.267) 30.015 3.590 ( 12.157 -0.000 -11.974) 17.064 4.358 ( -12.634 0.000 5.240) 13.678 4.372 ( -8.653 0.000 2.638) 9.046 5.127 ( 35.968 -0.000 -3.460) 36.134 5.182 ( 27.311 -0.000 -4.219) 27.635 5.318 ( 8.011 -0.000 6.193) 10.125 5.584 ( -0.293 0.000 -14.596) 14.599 6.391 ( -0.868 0.000 7.713) 7.762 6.501 ( -0.278 0.000 -3.471) 3.482 8.692 ( -23.116 0.000 1.586) 23.170 8.702 ( -20.280 0.000 0.372) 20.284 12.469 ( -1.601 0.000 4.718) 4.982 12.565 ( -2.019 0.000 -4.729) 5.142 13.820 ( 6.698 -0.000 2.769) 7.248 13.874 ( 6.991 -0.000 -2.603) 7.460 16.658 ( -0.564 0.000 0.326) 0.652 16.676 ( -0.657 0.000 -1.218) 1.384 16.893 ( -0.016 0.000 1.145) 1.145 16.916 ( 0.261 -0.000 -1.113) 1.144 19.239 ( -6.297 0.000 2.669) 6.840 19.271 ( -4.254 0.000 -0.721) 4.315 27.912 ( -2.578 0.000 3.987) 4.748 27.986 ( -3.287 0.000 -3.394) 4.725 28.892 ( 31.484 -0.000 14.611) 34.709 29.276 ( 39.454 -0.000 -24.793) 46.598 31.563 ( 1.657 -0.000 2.718) 3.183 31.631 ( 0.069 -0.000 -3.861) 3.862 35.381 ( -9.775 0.000 2.976) 10.218 35.407 ( -13.032 0.000 1.078) 13.076 ======================= Grid point 388 (116/144) ======================= q-point: ( 0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 7.767 5.866 15.362) 18.186 1.684 ( 6.880 -4.342 11.716) 14.264 1.841 ( 7.467 7.080 -11.378) 15.341 1.991 ( 2.589 -5.995 -13.072) 14.613 2.798 ( 27.904 -0.558 -2.321) 28.006 2.809 ( 17.850 -0.624 -4.304) 18.372 3.556 ( 12.108 -3.579 13.783) 18.692 3.748 ( 2.954 -1.390 -5.501) 6.397 4.101 ( -12.022 3.758 6.485) 14.166 4.186 ( -7.999 2.703 -2.625) 8.842 5.301 ( -0.825 -3.703 14.764) 15.244 5.574 ( 2.202 -0.970 -10.638) 10.906 5.740 ( 29.848 -0.442 -3.120) 30.013 5.805 ( 27.960 -3.275 -9.180) 29.611 6.377 ( 0.088 0.247 5.897) 5.903 6.485 ( -1.594 0.035 -4.731) 4.993 8.251 ( -22.590 6.168 4.192) 23.789 8.320 ( -21.396 2.941 -2.644) 21.759 12.441 ( -1.541 0.113 4.305) 4.574 12.528 ( -2.120 0.161 -4.281) 4.780 13.917 ( 5.122 0.868 3.657) 6.353 13.983 ( 5.744 0.440 -2.938) 6.466 16.686 ( 3.365 -0.542 -0.479) 3.442 16.694 ( 2.518 -0.555 -0.963) 2.753 16.901 ( -0.197 -1.790 1.029) 2.074 16.923 ( -0.158 -0.952 -1.023) 1.406 19.146 ( -4.659 -0.278 3.891) 6.077 19.203 ( -3.776 -0.517 -2.028) 4.317 27.874 ( -2.340 -0.396 3.115) 3.916 27.932 ( -3.533 -0.690 -2.706) 4.503 29.393 ( 26.613 1.982 17.572) 31.952 29.819 ( 25.983 6.114 -24.968) 36.550 31.653 ( 5.583 -3.736 1.965) 6.999 31.734 ( 5.994 -10.925 -6.458) 14.035 35.164 ( -12.124 3.005 4.295) 13.209 35.193 ( -11.031 1.404 0.963) 11.162 ======================= Grid point 389 (117/144) ======================= q-point: ( 0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 8.018 2.450 10.749) 13.632 1.815 ( 7.293 4.523 -8.596) 12.146 2.029 ( 17.040 -4.751 1.484) 17.752 2.115 ( 7.172 -4.543 -5.909) 10.344 3.091 ( 14.493 3.024 4.968) 15.616 3.220 ( 20.234 2.758 -6.149) 21.327 3.551 ( -16.632 0.612 6.447) 17.849 3.668 ( -10.043 -1.690 -4.664) 11.202 4.044 ( 8.213 0.117 7.398) 11.055 4.145 ( 4.652 1.645 -2.713) 5.631 5.309 ( -2.069 -2.684 13.109) 13.540 5.574 ( -2.884 -1.919 -12.904) 13.361 6.150 ( 16.504 1.194 4.006) 17.025 6.231 ( 15.623 -1.472 -4.339) 16.281 6.430 ( 7.158 -2.047 -1.086) 7.524 6.456 ( -1.268 -1.174 -3.024) 3.483 7.833 ( -17.600 6.150 6.267) 19.669 7.950 ( -17.364 2.818 -5.236) 18.354 12.417 ( -0.842 0.388 3.780) 3.892 12.492 ( -1.455 0.634 -3.635) 3.967 13.975 ( 2.970 1.051 4.293) 5.325 14.054 ( 3.396 0.833 -3.532) 4.970 16.764 ( 4.627 -0.673 0.011) 4.675 16.770 ( 4.917 -0.482 -0.613) 4.978 16.923 ( -0.374 -2.901 -0.193) 2.932 16.927 ( -0.773 -1.301 -0.478) 1.586 19.087 ( -2.790 -0.585 4.193) 5.071 19.157 ( -2.601 -0.883 -2.761) 3.895 27.840 ( -2.044 -0.410 2.233) 3.055 27.883 ( -3.284 -1.079 -1.988) 3.988 29.716 ( 14.781 3.817 14.780) 21.249 30.032 ( 9.990 8.333 -16.238) 20.807 31.827 ( 8.509 -5.445 6.356) 11.935 32.030 ( 12.040 -11.380 -14.553) 22.051 34.950 ( -8.956 2.700 5.170) 10.688 35.000 ( -9.323 1.403 -0.042) 9.428 ======================= Grid point 390 (118/144) ======================= q-point: ( 0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 6.872 1.944 6.415) 9.600 1.862 ( 4.416 4.319 -8.454) 10.470 2.347 ( 12.204 -4.554 7.375) 14.969 2.446 ( 22.410 -6.794 -1.382) 23.458 3.123 ( -12.387 1.858 3.590) 13.030 3.191 ( -11.670 5.940 -0.153) 13.096 3.417 ( 5.527 2.346 1.081) 6.101 3.573 ( 1.379 3.877 -11.105) 11.843 4.187 ( 3.875 -0.251 3.289) 5.089 4.210 ( 5.532 2.208 0.985) 6.037 5.305 ( -1.139 -2.031 11.214) 11.453 5.537 ( -2.494 -0.589 -11.880) 12.153 6.277 ( 2.288 -0.454 1.941) 3.035 6.314 ( -2.921 -0.390 -1.745) 3.425 6.544 ( 5.916 -2.779 2.612) 7.039 6.618 ( 7.063 -2.504 -4.457) 8.719 7.541 ( -10.061 3.387 7.875) 13.218 7.692 ( -10.217 0.484 -7.026) 12.410 12.406 ( 0.376 0.698 3.179) 3.277 12.468 ( -0.128 1.095 -2.919) 3.120 13.996 ( 0.531 0.659 4.525) 4.603 14.082 ( 0.892 0.744 -3.956) 4.122 16.835 ( 2.048 -0.295 1.067) 2.328 16.850 ( 3.616 -0.148 -0.314) 3.633 16.923 ( -0.721 -1.118 1.088) 1.718 16.960 ( 1.398 -2.278 -2.634) 3.753 19.061 ( -1.138 -0.692 4.205) 4.411 19.135 ( -1.245 -1.054 -3.100) 3.503 27.816 ( -1.301 -0.493 1.758) 2.241 27.850 ( -1.802 -1.303 -1.680) 2.787 29.825 ( 3.007 3.008 10.444) 11.277 30.029 ( -0.202 5.672 -9.587) 11.141 32.033 ( 9.865 -2.056 10.910) 14.851 32.334 ( 11.777 -5.333 -19.371) 23.289 34.807 ( -5.355 0.998 4.853) 7.296 34.860 ( -5.901 -0.171 -0.242) 5.909 ======================= Grid point 391 (119/144) ======================= q-point: ( 0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 3.954 4.512 3.805) 7.104 1.874 ( 2.854 5.231 -6.058) 8.498 2.467 ( -4.842 0.900 18.232) 18.886 2.739 ( -19.467 5.382 0.096) 20.197 2.893 ( 19.640 -6.095 3.186) 20.810 3.138 ( 4.600 -2.770 -14.063) 15.053 3.429 ( 0.496 4.037 1.316) 4.275 3.543 ( 2.175 6.097 -9.265) 11.302 4.165 ( -3.740 1.215 6.358) 7.476 4.256 ( 1.723 3.302 -2.628) 4.558 5.316 ( -0.083 -1.552 9.816) 9.938 5.516 ( -0.855 -1.038 -9.983) 10.073 6.248 ( -5.949 -1.987 2.055) 6.600 6.297 ( -1.161 -1.538 -2.723) 3.336 6.592 ( -3.822 -1.516 3.368) 5.315 6.663 ( -4.412 -1.431 -3.614) 5.880 7.434 ( -0.545 -0.777 9.082) 9.132 7.606 ( -1.260 -2.865 -7.961) 8.554 12.415 ( 1.749 1.098 2.681) 3.385 12.466 ( 1.474 1.296 -2.380) 3.085 13.979 ( -2.002 0.017 4.679) 5.089 14.070 ( -1.483 0.344 -4.278) 4.541 16.840 ( -1.558 -0.269 1.074) 1.911 16.858 ( -2.183 0.036 -0.766) 2.313 16.954 ( 2.984 0.194 2.385) 3.825 17.010 ( 2.287 -0.301 -3.283) 4.012 19.063 ( 0.367 -0.741 4.225) 4.305 19.137 ( 0.158 -1.112 -3.196) 3.387 27.811 ( 0.000 -0.799 2.143) 2.287 27.855 ( 0.598 -1.339 -2.201) 2.644 29.767 ( -6.947 0.870 8.157) 10.750 29.921 ( -7.492 1.619 -6.948) 10.346 32.184 ( 8.829 4.178 13.204) 16.424 32.527 ( 8.899 2.713 -21.000) 22.969 34.747 ( -2.020 -1.597 5.165) 5.771 34.811 ( -1.446 -2.322 -0.896) 2.878 ======================= Grid point 392 (120/144) ======================= q-point: (-0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -2.132 7.706 3.310) 8.654 1.798 ( -4.914 8.223 -3.062) 10.057 2.275 ( -10.149 3.644 10.360) 14.954 2.389 ( -11.099 7.039 -0.783) 13.166 3.109 ( -9.703 -1.189 -3.692) 10.450 3.163 ( -2.036 3.315 -8.350) 9.212 3.475 ( 14.127 0.207 8.369) 16.421 3.654 ( 13.623 -0.837 -9.067) 16.386 4.060 ( -6.313 1.320 8.573) 10.728 4.196 ( -3.709 4.066 -5.278) 7.625 5.332 ( -0.047 -1.811 10.396) 10.553 5.539 ( 1.102 -3.116 -9.575) 10.130 6.121 ( -13.295 -1.442 5.837) 14.591 6.244 ( -8.786 -1.333 -6.209) 10.840 6.498 ( -5.294 -0.191 0.784) 5.355 6.531 ( -9.486 0.606 -2.486) 9.825 7.527 ( 6.381 -6.039 9.319) 12.808 7.700 ( 5.457 -6.896 -7.842) 11.783 12.439 ( 2.809 1.641 2.617) 4.176 12.490 ( 2.826 1.147 -2.363) 3.858 13.930 ( -4.107 -0.644 4.907) 6.431 14.026 ( -3.419 -0.071 -4.591) 5.725 16.797 ( -2.998 0.487 0.346) 3.057 16.804 ( -3.262 0.734 -0.375) 3.365 16.991 ( 2.016 1.079 1.861) 2.948 17.036 ( 1.268 1.273 -2.644) 3.197 19.090 ( 1.792 -0.835 4.324) 4.755 19.164 ( 1.527 -1.110 -3.077) 3.610 27.836 ( 1.813 -0.884 2.995) 3.611 27.897 ( 2.677 -1.118 -3.104) 4.248 29.576 ( -15.438 -1.003 8.386) 17.598 29.738 ( -14.613 -2.289 -7.504) 16.586 32.235 ( 6.748 10.808 13.327) 18.438 32.575 ( 5.741 10.931 -20.739) 24.136 34.777 ( 1.678 -4.563 6.094) 7.796 34.859 ( 2.593 -4.522 -1.973) 5.574 ======================= Grid point 393 (121/144) ======================= q-point: (-0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -11.909 11.106 2.805) 16.524 1.573 ( -10.019 3.388 -3.594) 11.170 2.087 ( -3.302 8.202 9.978) 13.332 2.241 ( -1.530 5.231 -6.222) 8.271 2.836 ( -18.161 1.732 2.869) 18.468 2.980 ( -8.632 7.465 -10.794) 15.708 3.750 ( 9.416 -2.230 4.413) 10.635 3.757 ( -7.113 2.013 3.211) 8.059 4.006 ( 3.308 3.185 3.333) 5.674 4.098 ( 2.915 1.715 -5.736) 6.659 5.355 ( -2.272 -4.068 12.360) 13.209 5.579 ( -7.619 -3.545 -8.407) 11.887 5.834 ( -12.394 1.482 6.592) 14.116 5.986 ( -18.535 4.296 -9.677) 21.346 6.401 ( -4.429 0.467 0.853) 4.535 6.458 ( -1.787 -1.656 -4.186) 4.844 7.769 ( 10.404 -11.873 8.842) 18.094 7.931 ( 9.535 -11.581 -7.177) 16.630 12.471 ( 3.211 2.043 3.096) 4.906 12.533 ( 3.404 0.949 -2.979) 4.622 13.857 ( -5.421 -1.115 5.087) 7.517 13.958 ( -4.725 -0.198 -4.812) 6.747 16.737 ( -2.692 1.209 -0.051) 2.952 16.742 ( -2.256 1.313 -0.538) 2.665 16.998 ( 0.560 1.628 1.179) 2.086 17.027 ( 0.041 2.196 -1.811) 2.847 19.142 ( 3.090 -1.037 4.398) 5.474 19.212 ( 2.696 -1.052 -2.680) 3.945 27.888 ( 3.384 -0.340 3.687) 5.016 27.963 ( 3.833 -0.378 -3.735) 5.365 29.269 ( -22.126 -1.590 9.590) 24.167 29.466 ( -22.102 -4.725 -9.781) 24.627 32.181 ( 4.592 16.134 12.010) 20.631 32.491 ( 3.407 18.001 -19.190) 26.531 34.903 ( 5.212 -7.449 6.497) 11.174 34.991 ( 5.430 -6.625 -2.389) 8.892 ======================= Grid point 394 (122/144) ======================= q-point: (-0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -9.939 5.117 9.754) 14.836 1.422 ( -6.412 -2.396 -10.678) 12.683 1.945 ( -5.776 8.579 10.552) 14.775 2.112 ( -8.388 4.227 -6.687) 11.530 2.517 ( -11.030 7.088 11.121) 17.192 2.818 ( 2.650 8.924 -16.210) 18.693 3.474 ( -17.004 6.161 11.671) 21.525 3.702 ( -10.444 3.147 -10.005) 14.802 4.114 ( 9.379 -2.389 9.394) 13.488 4.248 ( 8.668 -0.741 -3.664) 9.440 5.100 ( -31.505 0.217 7.264) 32.333 5.292 ( -23.636 0.476 -8.221) 25.030 5.664 ( -0.844 10.624 7.707) 13.152 5.874 ( 7.512 0.360 -8.724) 11.519 6.338 ( -3.357 -0.067 3.057) 4.541 6.450 ( -1.979 -2.549 -6.336) 7.111 8.136 ( 12.749 -18.205 7.567) 23.478 8.268 ( 11.431 -16.384 -5.579) 20.742 12.500 ( 2.732 2.105 3.808) 5.137 12.579 ( 2.968 0.910 -3.929) 5.007 13.773 ( -5.786 -1.143 4.937) 7.692 13.872 ( -5.211 0.201 -4.820) 7.101 16.694 ( -0.409 1.213 0.290) 1.313 16.708 ( 0.033 1.199 -0.996) 1.559 16.978 ( -0.544 1.849 0.500) 1.991 16.993 ( -0.770 2.588 -1.127) 2.925 19.217 ( 3.978 -1.461 4.136) 5.922 19.276 ( 3.377 -0.972 -1.917) 4.003 27.953 ( 4.562 0.930 3.867) 6.052 28.029 ( 4.125 0.827 -3.666) 5.580 28.870 ( -25.125 -0.102 9.619) 26.904 29.085 ( -28.081 -3.937 -11.664) 30.661 32.048 ( 2.726 18.748 10.060) 21.450 32.311 ( 2.060 22.462 -16.641) 28.031 35.109 ( 7.256 -10.051 5.524) 13.572 35.178 ( 6.416 -8.395 -1.545) 10.679 ======================= Grid point 395 (123/144) ======================= q-point: (-0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 1.251 -3.044 15.679) 16.020 1.382 ( -3.968 -3.547 -10.185) 11.492 1.633 ( -19.052 4.595 12.161) 23.065 1.922 ( -7.904 2.009 -16.360) 18.280 2.400 ( 10.246 12.103 24.835) 29.466 2.865 ( 9.367 7.558 -10.834) 16.194 3.094 ( -14.306 9.669 9.370) 19.645 3.453 ( -13.252 4.638 -16.811) 21.903 4.282 ( 2.043 -5.788 8.477) 10.466 4.321 ( -2.811 -0.646 7.374) 7.918 4.614 ( -17.385 0.590 -3.365) 17.718 4.789 ( -24.100 4.855 -17.290) 30.056 5.606 ( 3.979 12.445 16.902) 21.364 5.946 ( 5.740 10.581 -16.100) 20.103 6.300 ( -2.656 -4.212 8.885) 10.186 6.453 ( -1.210 -3.187 -5.517) 6.485 8.570 ( 10.523 -22.280 5.079) 25.158 8.648 ( 8.959 -19.075 -2.744) 21.252 12.515 ( 1.479 1.792 4.454) 5.024 12.609 ( 1.658 0.926 -4.815) 5.176 13.693 ( -4.449 -0.623 4.370) 6.267 13.784 ( -4.019 0.978 -4.601) 6.187 16.699 ( 1.751 0.423 0.597) 1.897 16.715 ( 1.522 0.667 -0.853) 1.868 16.944 ( -0.967 1.788 0.043) 2.034 16.951 ( -0.643 2.310 -0.751) 2.512 19.301 ( 3.318 -1.959 3.166) 4.987 19.343 ( 3.026 -0.963 -1.017) 3.335 28.024 ( 6.092 2.521 3.846) 7.633 28.089 ( 5.299 2.033 -2.704) 6.287 28.452 ( -20.841 2.604 6.610) 22.018 28.621 ( -27.143 0.364 -10.089) 28.960 31.877 ( 1.204 17.703 8.046) 19.483 32.085 ( 1.098 22.728 -13.200) 26.306 35.341 ( 5.382 -10.313 3.495) 12.147 35.382 ( 5.303 -10.305 -0.399) 11.596 ======================= Grid point 396 (124/144) ======================= q-point: (-0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 0.000 -0.640 8.204) 8.229 1.348 ( 0.000 -0.288 -7.277) 7.283 1.400 ( 0.000 -1.999 23.325) 23.411 1.861 ( 0.000 -2.048 -22.685) 22.777 2.506 ( -0.000 10.075 30.094) 31.736 2.631 ( -0.000 8.539 30.613) 31.781 3.116 ( -0.000 5.900 -29.849) 30.427 3.145 ( -0.000 6.448 -20.470) 21.462 4.165 ( -0.000 1.402 10.970) 11.059 4.422 ( 0.000 -8.685 9.880) 13.154 4.425 ( -0.000 3.001 -14.162) 14.477 4.631 ( 0.000 -3.530 -11.560) 12.087 5.489 ( -0.000 13.904 16.469) 21.553 5.830 ( -0.000 16.587 -17.688) 24.248 6.342 ( 0.000 -5.561 10.037) 11.475 6.476 ( 0.000 -2.339 -3.367) 4.100 8.904 ( 0.000 -18.150 2.867) 18.375 8.943 ( 0.000 -18.251 -0.905) 18.274 12.511 ( -0.000 1.099 4.890) 5.012 12.613 ( -0.000 0.777 -5.208) 5.266 13.654 ( 0.000 -0.241 3.620) 3.628 13.732 ( -0.000 1.203 -4.075) 4.249 16.719 ( 0.000 -0.035 0.377) 0.379 16.726 ( -0.000 0.355 -0.376) 0.517 16.915 ( -0.000 1.624 0.189) 1.635 16.925 ( -0.000 1.590 -0.783) 1.772 19.351 ( 0.000 -1.378 2.269) 2.655 19.386 ( 0.000 -1.047 -1.047) 1.480 28.100 ( -0.000 1.824 8.288) 8.487 28.168 ( -0.000 4.533 -0.012) 4.533 28.177 ( -0.000 3.559 -0.775) 3.643 28.270 ( -0.000 1.835 -8.503) 8.698 31.715 ( -0.000 13.231 6.078) 14.560 31.865 ( -0.000 18.338 -9.265) 20.545 35.485 ( 0.000 -7.340 4.192) 8.453 35.555 ( 0.000 -10.272 -2.465) 10.564 ======================= Grid point 399 (125/144) ======================= q-point: ( 0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.944 -0.000 12.767) 14.082 1.859 ( 10.729 -0.000 -3.129) 11.176 1.992 ( 9.981 -0.000 -6.918) 12.144 2.056 ( 9.822 -0.000 -6.817) 11.956 3.149 ( 19.945 -0.000 5.629) 20.724 3.257 ( 22.369 -0.000 -3.276) 22.607 3.547 ( -10.261 0.000 4.212) 11.092 3.638 ( -13.583 0.000 -4.027) 14.167 4.049 ( 5.505 -0.000 8.857) 10.428 4.168 ( 3.022 -0.000 -3.000) 4.258 5.273 ( -0.820 0.000 12.929) 12.955 5.544 ( -1.843 0.000 -13.786) 13.908 6.177 ( 15.659 -0.000 1.575) 15.738 6.201 ( 18.511 -0.000 -2.026) 18.622 6.408 ( 6.048 -0.000 -0.840) 6.106 6.441 ( -2.949 0.000 -3.281) 4.412 7.915 ( -19.855 0.000 3.383) 20.141 7.972 ( -19.900 0.000 -2.353) 20.038 12.423 ( -0.604 0.000 3.850) 3.897 12.500 ( -1.175 0.000 -3.772) 3.951 13.988 ( 2.628 -0.000 4.245) 4.992 14.065 ( 3.344 -0.000 -3.352) 4.735 16.756 ( 4.848 -0.000 -0.142) 4.850 16.765 ( 5.682 -0.000 -1.300) 5.829 16.886 ( -0.415 0.000 1.351) 1.413 16.912 ( -0.470 0.000 -1.211) 1.299 19.080 ( -2.842 0.000 3.971) 4.883 19.145 ( -2.675 0.000 -2.601) 3.731 27.835 ( -1.973 0.000 1.829) 2.691 27.869 ( -3.359 0.000 -1.562) 3.705 29.763 ( 14.405 -0.000 16.955) 22.248 30.138 ( 7.660 -0.000 -19.904) 21.327 31.777 ( 10.403 -0.000 1.791) 10.556 31.878 ( 17.805 -0.000 -9.202) 20.042 34.983 ( -10.407 0.000 4.464) 11.324 35.012 ( -10.604 0.000 0.858) 10.639 ======================= Grid point 400 (126/144) ======================= q-point: ( 0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 6.775 0.685 8.697) 11.046 1.938 ( 3.199 1.923 -10.336) 10.990 2.274 ( 14.335 -1.480 1.492) 14.488 2.322 ( 22.278 -3.633 -2.909) 22.759 3.187 ( -17.107 2.624 8.901) 19.462 3.308 ( -12.290 3.465 0.884) 12.800 3.477 ( 9.804 2.230 1.113) 10.116 3.637 ( 11.753 1.606 -10.458) 15.814 4.182 ( 6.375 0.098 5.187) 8.219 4.227 ( 3.549 -0.621 0.748) 3.679 5.264 ( -0.739 -1.144 11.188) 11.270 5.516 ( -2.023 -0.888 -13.755) 13.931 6.269 ( 0.070 -0.177 1.697) 1.707 6.305 ( -4.911 -0.303 -1.860) 5.260 6.492 ( 6.489 -1.445 3.049) 7.314 6.576 ( 7.705 -1.073 -4.940) 9.216 7.611 ( -13.028 2.654 3.953) 13.871 7.682 ( -13.985 -1.152 -3.032) 14.356 12.422 ( 0.818 0.476 3.446) 3.574 12.489 ( 0.338 0.609 -3.231) 3.306 14.008 ( -0.027 0.347 4.694) 4.706 14.096 ( 0.627 0.403 -3.994) 4.063 16.833 ( 2.448 0.086 0.813) 2.581 16.849 ( 3.299 0.145 -0.746) 3.386 16.896 ( 0.982 -1.248 0.731) 1.748 16.920 ( 2.295 -0.947 -1.609) 2.958 19.048 ( -1.211 -0.387 3.736) 3.946 19.113 ( -1.461 -0.631 -2.801) 3.222 27.807 ( -1.352 -0.148 0.841) 1.599 27.823 ( -2.230 -0.884 -0.765) 2.518 29.881 ( 1.194 1.602 12.511) 12.669 30.136 ( -4.058 3.057 -12.505) 13.498 32.009 ( 15.592 -0.240 7.382) 17.253 32.234 ( 19.691 -2.961 -15.416) 25.183 34.826 ( -7.408 0.714 3.555) 8.248 34.849 ( -8.433 -0.658 1.115) 8.532 ======================= Grid point 401 (127/144) ======================= q-point: ( 0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 5.950 1.498 5.319) 8.120 1.966 ( 3.035 2.464 -6.771) 7.819 2.488 ( 5.245 0.898 12.369) 13.465 2.750 ( 17.534 -4.581 -11.091) 21.247 2.851 ( -14.136 2.819 13.272) 19.594 3.113 ( -1.389 0.835 -10.294) 10.421 3.561 ( 4.630 7.146 4.459) 9.612 3.707 ( 3.125 7.508 -8.967) 12.106 4.190 ( -3.140 0.784 7.828) 8.471 4.303 ( 2.087 0.034 -3.454) 4.036 5.279 ( 0.651 -1.426 9.347) 9.477 5.494 ( -1.703 -0.837 -12.148) 12.295 6.199 ( -7.900 -2.068 2.390) 8.509 6.256 ( -2.939 -1.888 -3.163) 4.713 6.542 ( -3.511 -2.427 3.948) 5.814 6.622 ( -3.973 -1.737 -3.825) 5.782 7.439 ( -4.409 1.189 5.754) 7.346 7.541 ( -5.078 -2.947 -4.356) 7.311 12.441 ( 2.433 1.072 3.016) 4.020 12.499 ( 2.043 1.378 -2.699) 3.655 13.982 ( -2.557 0.191 5.054) 5.668 14.080 ( -1.767 0.465 -4.622) 4.970 16.834 ( -1.301 -0.166 1.045) 1.677 16.854 ( -1.788 -0.309 -0.966) 2.056 16.955 ( 4.017 -0.005 1.777) 4.392 16.995 ( 3.805 -0.815 -2.301) 4.521 19.045 ( 0.093 -0.726 3.535) 3.610 19.109 ( -0.313 -1.237 -2.822) 3.097 27.794 ( -0.374 -0.550 1.228) 1.396 27.820 ( 0.167 -1.556 -1.347) 2.064 29.797 ( -8.535 1.396 9.051) 12.519 29.975 ( -10.608 2.546 -8.531) 13.849 32.270 ( 16.005 3.311 11.262) 19.848 32.564 ( 16.895 0.796 -18.057) 24.741 34.716 ( -5.256 -0.994 3.924) 6.634 34.758 ( -3.949 -2.160 0.055) 4.501 ======================= Grid point 402 (128/144) ======================= q-point: (-0.55 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.077 4.753 5.119) 6.986 1.968 ( -0.115 4.551 -4.069) 6.106 2.385 ( -6.807 7.023 10.779) 14.555 2.532 ( -10.745 5.864 -0.519) 12.251 3.070 ( 3.227 -1.979 0.705) 3.851 3.218 ( 7.155 0.932 -10.097) 12.410 3.546 ( 6.313 5.973 4.671) 9.866 3.686 ( 7.802 4.592 -8.411) 12.358 4.091 ( -6.229 1.000 11.012) 12.691 4.276 ( -3.402 2.144 -7.563) 8.566 5.297 ( -0.659 -0.858 7.825) 7.899 5.475 ( -2.452 -2.265 -9.674) 10.234 6.072 ( -11.163 -2.718 6.197) 13.054 6.197 ( -7.738 -2.671 -5.882) 10.080 6.463 ( -7.272 -2.999 1.757) 8.060 6.513 ( -9.696 -1.851 -2.794) 10.259 7.428 ( 1.591 -2.781 7.734) 8.371 7.561 ( 1.475 -5.410 -5.576) 7.908 12.479 ( 3.748 1.744 2.536) 4.850 12.527 ( 3.397 1.998 -2.229) 4.528 13.921 ( -4.463 -0.183 5.494) 7.081 14.030 ( -3.457 0.343 -5.251) 6.297 16.803 ( -2.299 0.077 0.574) 2.371 16.816 ( -2.480 0.348 -0.703) 2.601 17.008 ( 2.385 0.501 1.879) 3.077 17.049 ( 1.876 0.068 -2.222) 2.909 19.066 ( 1.183 -1.144 3.546) 3.909 19.129 ( 0.774 -1.804 -2.769) 3.394 27.813 ( 1.752 -0.955 2.225) 2.989 27.861 ( 2.359 -1.926 -2.483) 3.929 29.576 ( -15.733 0.659 7.816) 17.580 29.729 ( -15.949 0.886 -7.288) 17.558 32.458 ( 13.623 9.038 12.848) 20.793 32.776 ( 12.932 7.152 -18.809) 23.920 34.681 ( -1.877 -3.943 5.642) 7.135 34.760 ( -0.024 -4.200 -2.076) 4.685 ======================= Grid point 403 (129/144) ======================= q-point: (-0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -8.657 8.107 4.366) 12.638 1.793 ( -9.409 11.923 -2.205) 15.348 2.238 ( -1.639 6.530 6.835) 9.594 2.364 ( -2.876 6.159 -5.724) 8.886 2.907 ( -12.331 4.890 9.354) 16.232 3.173 ( -3.291 9.557 -15.518) 18.520 3.718 ( 11.630 -0.532 5.714) 12.969 3.780 ( -3.669 0.930 0.463) 3.813 4.064 ( 8.912 0.963 4.008) 9.819 4.170 ( -3.257 3.622 -6.245) 7.920 5.266 ( -5.636 -2.808 8.061) 10.229 5.455 ( -7.371 -6.503 -9.939) 13.978 5.861 ( -12.381 0.775 10.490) 16.246 6.041 ( -11.777 0.405 -7.990) 14.237 6.380 ( -7.245 -2.536 -0.749) 7.712 6.403 ( -4.532 -3.428 -2.892) 6.376 7.543 ( 4.638 -8.302 8.875) 13.008 7.697 ( 4.885 -9.163 -6.504) 12.253 12.525 ( 4.272 2.555 2.181) 5.434 12.568 ( 3.944 2.166 -2.013) 4.930 13.840 ( -5.361 -0.503 5.984) 8.050 13.960 ( -4.273 0.312 -5.826) 7.232 16.758 ( -2.338 0.678 0.300) 2.452 16.769 ( -1.915 1.050 -0.753) 2.311 17.025 ( 0.537 0.857 1.536) 1.839 17.059 ( -0.043 0.783 -1.877) 2.034 19.110 ( 2.071 -1.707 3.762) 4.621 19.173 ( 1.700 -2.292 -2.614) 3.870 27.873 ( 3.992 -0.858 3.066) 5.106 27.938 ( 4.113 -1.728 -3.335) 5.570 29.257 ( -20.656 0.347 7.849) 22.100 29.414 ( -20.727 -0.464 -7.562) 22.069 32.529 ( 10.086 14.877 12.947) 22.151 32.846 ( 8.887 13.896 -18.620) 24.875 34.741 ( 1.725 -7.044 6.837) 9.967 34.845 ( 2.900 -6.400 -3.499) 7.849 ======================= Grid point 404 (130/144) ======================= q-point: (-0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -11.165 12.794 0.740) 16.997 1.493 ( -6.913 8.745 -3.302) 11.626 2.099 ( -10.209 6.255 5.126) 13.024 2.207 ( -8.360 5.063 -4.976) 10.967 2.705 ( -0.197 9.491 15.454) 18.137 3.042 ( 3.651 10.914 -16.027) 19.731 3.576 ( -14.025 3.257 7.888) 16.418 3.751 ( -7.587 1.291 -8.302) 11.321 4.150 ( 8.417 4.928 7.412) 12.250 4.268 ( 10.591 1.645 -3.023) 11.137 5.085 ( -22.394 -1.662 8.001) 23.838 5.268 ( -18.858 -2.922 -6.768) 20.248 5.812 ( 4.560 -2.976 4.207) 6.881 5.847 ( -3.581 4.754 -2.533) 6.469 6.316 ( -4.510 -2.917 -1.332) 5.534 6.375 ( -4.129 -4.328 -5.615) 8.204 7.764 ( 6.187 -14.793 9.084) 18.430 7.923 ( 6.444 -14.059 -6.826) 16.904 12.562 ( 3.663 3.292 2.281) 5.428 12.610 ( 3.479 1.945 -2.402) 4.654 13.755 ( -5.138 -0.543 6.289) 8.139 13.881 ( -4.200 0.608 -6.195) 7.509 16.718 ( -0.963 0.942 0.536) 1.450 16.736 ( -0.351 1.224 -1.095) 1.680 17.011 ( -0.808 1.119 0.991) 1.700 17.035 ( -1.234 1.258 -1.504) 2.317 19.172 ( 2.563 -2.400 4.014) 5.333 19.235 ( 2.205 -2.651 -2.262) 4.124 27.964 ( 5.976 0.048 3.366) 6.859 28.032 ( 5.211 -0.601 -3.364) 6.231 28.880 ( -22.174 0.967 7.592) 23.458 29.039 ( -23.590 -0.449 -8.029) 24.923 32.478 ( 6.267 19.448 12.303) 23.851 32.781 ( 5.338 19.551 -17.998) 27.105 34.886 ( 4.018 -9.888 6.788) 12.648 34.989 ( 4.137 -8.426 -3.593) 10.051 ======================= Grid point 405 (131/144) ======================= q-point: (-0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -2.159 8.022 7.669) 11.306 1.369 ( -0.907 2.594 -9.227) 9.627 1.751 ( -18.619 7.355 10.331) 22.527 1.990 ( -10.047 4.748 -12.936) 17.054 2.691 ( 12.469 13.230 21.190) 27.920 3.058 ( 7.564 9.144 -6.232) 13.404 3.286 ( -10.405 7.238 3.121) 13.053 3.549 ( -11.244 3.686 -14.711) 18.879 4.241 ( 5.462 2.220 10.241) 11.817 4.357 ( 1.734 3.461 3.461) 5.192 4.665 ( -17.660 3.847 0.886) 18.096 4.895 ( -22.255 4.055 -15.900) 27.651 5.819 ( 5.003 6.202 12.208) 14.579 5.990 ( 7.995 -5.299 2.439) 9.897 6.262 ( -4.846 -0.681 -4.724) 6.802 6.360 ( -3.314 -5.173 -7.871) 9.985 8.068 ( 5.473 -21.603 8.308) 23.784 8.212 ( 5.379 -19.108 -6.021) 20.744 12.574 ( 2.025 3.451 2.881) 4.930 12.638 ( 2.018 1.732 -3.379) 4.300 13.683 ( -3.531 -0.233 6.142) 7.089 13.808 ( -2.962 1.226 -6.210) 6.988 16.710 ( 0.735 0.466 0.930) 1.274 16.731 ( 0.981 0.833 -1.186) 1.750 16.979 ( -1.169 1.328 0.499) 1.839 16.996 ( -1.321 1.579 -1.288) 2.428 19.245 ( 2.138 -3.086 4.017) 5.498 19.301 ( 1.857 -2.800 -1.704) 3.767 28.072 ( 7.766 1.734 3.417) 8.660 28.128 ( 6.963 1.319 -2.157) 7.408 28.508 ( -18.371 2.325 5.300) 19.261 28.638 ( -22.053 1.311 -7.414) 23.302 32.325 ( 2.719 21.806 11.335) 24.726 32.608 ( 2.356 23.369 -17.179) 29.099 35.079 ( 3.695 -12.342 5.501) 14.009 35.157 ( 3.179 -10.084 -2.435) 10.851 ======================= Grid point 406 (132/144) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.000 0.174 8.551) 8.553 1.355 ( -0.000 1.023 -8.256) 8.319 1.439 ( -0.000 7.301 18.851) 20.215 1.848 ( -0.000 1.832 -21.202) 21.281 2.774 ( -0.000 13.099 24.157) 27.479 2.858 ( -0.000 10.905 25.849) 28.055 3.271 ( -0.000 7.301 -24.934) 25.981 3.297 ( -0.000 6.615 -17.586) 18.789 4.219 ( -0.000 3.768 13.788) 14.294 4.323 ( 0.000 -0.105 12.978) 12.978 4.525 ( -0.000 6.132 -16.238) 17.357 4.604 ( -0.000 1.448 -15.299) 15.367 5.777 ( -0.000 10.597 16.991) 20.025 6.132 ( -0.000 8.882 -18.390) 20.422 6.184 ( 0.000 -8.516 13.312) 15.803 6.391 ( 0.000 -5.282 -7.339) 9.042 8.387 ( 0.000 -25.429 6.518) 26.251 8.493 ( 0.000 -21.662 -4.080) 22.043 12.555 ( -0.000 2.927 3.709) 4.724 12.637 ( -0.000 1.452 -4.373) 4.608 13.651 ( 0.000 -0.018 5.453) 5.453 13.764 ( -0.000 1.603 -5.707) 5.927 16.719 ( -0.000 0.003 0.885) 0.885 16.736 ( -0.000 0.527 -0.871) 1.018 16.951 ( -0.000 1.539 0.246) 1.559 16.965 ( -0.000 1.748 -1.179) 2.109 19.301 ( 0.000 -3.114 3.625) 4.779 19.349 ( 0.000 -2.453 -1.233) 2.745 28.155 ( -0.000 3.073 8.327) 8.876 28.245 ( -0.000 2.531 0.779) 2.648 28.267 ( -0.000 3.424 -1.542) 3.755 28.326 ( -0.000 3.109 -8.512) 9.062 32.107 ( -0.000 21.238 9.984) 23.468 32.360 ( -0.000 24.635 -15.745) 29.237 35.257 ( 0.000 -12.994 3.802) 13.538 35.304 ( 0.000 -11.069 -0.927) 11.108 ======================= Grid point 411 (133/144) ======================= q-point: ( 0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 5.923 -0.000 6.114) 8.512 1.989 ( 1.966 -0.000 -7.177) 7.441 2.499 ( 10.119 -0.000 8.139) 12.986 2.690 ( 21.510 -0.000 -8.018) 22.956 2.887 ( -16.058 0.000 11.589) 19.803 3.132 ( -5.560 0.000 -9.752) 11.225 3.667 ( 7.401 -0.000 5.485) 9.212 3.800 ( 3.846 -0.000 -6.543) 7.589 4.212 ( -3.111 0.000 5.417) 6.246 4.271 ( 1.903 -0.000 -1.049) 2.173 5.263 ( 1.447 -0.000 8.585) 8.706 5.484 ( -1.473 0.000 -13.464) 13.544 6.174 ( -8.985 0.000 2.337) 9.284 6.232 ( -3.736 0.000 -3.419) 5.065 6.511 ( -4.003 0.000 4.685) 6.162 6.602 ( -3.984 0.000 -4.140) 5.746 7.479 ( -4.447 0.000 0.908) 4.539 7.483 ( -7.545 0.000 0.631) 7.571 12.454 ( 2.621 -0.000 3.199) 4.135 12.516 ( 2.273 -0.000 -2.878) 3.668 13.985 ( -2.782 0.000 5.230) 5.924 14.086 ( -1.899 0.000 -4.772) 5.136 16.833 ( -1.410 0.000 0.807) 1.625 16.849 ( -1.429 0.000 -0.843) 1.659 16.955 ( 4.398 -0.000 1.325) 4.593 16.984 ( 4.465 -0.000 -1.673) 4.768 19.036 ( 0.034 -0.000 3.120) 3.120 19.093 ( -0.491 0.000 -2.567) 2.614 27.791 ( -0.652 0.000 0.267) 0.704 27.798 ( 0.230 -0.000 -0.417) 0.476 29.814 ( -9.241 0.000 9.598) 13.323 30.007 ( -11.992 0.000 -9.416) 15.246 32.311 ( 18.646 -0.000 9.766) 21.049 32.570 ( 20.139 -0.000 -16.094) 25.779 34.706 ( -7.022 0.000 2.986) 7.631 34.731 ( -4.384 0.000 0.846) 4.465 ======================= Grid point 412 (134/144) ======================= q-point: ( 0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 1.790 0.781 4.739) 5.126 2.004 ( -0.490 0.103 -2.893) 2.936 2.525 ( -2.926 3.995 6.807) 8.418 2.630 ( -9.749 2.538 1.668) 10.211 3.030 ( 12.041 -1.201 2.593) 12.375 3.220 ( 12.953 -0.171 -10.724) 16.817 3.695 ( 1.833 6.145 5.197) 8.254 3.808 ( 2.358 3.397 -4.806) 6.340 4.109 ( -7.281 1.621 8.138) 11.039 4.261 ( -5.145 -3.042 -7.168) 9.332 5.298 ( 1.788 0.508 5.223) 5.543 5.447 ( -3.906 -0.459 -10.008) 10.753 6.018 ( -10.239 -1.679 6.279) 12.128 6.147 ( -7.288 -1.380 -6.540) 9.889 6.388 ( -10.201 -2.661 4.221) 11.356 6.477 ( -9.701 -0.991 -4.141) 10.594 7.401 ( -1.771 -0.028 4.950) 5.258 7.472 ( 0.708 -2.480 -2.260) 3.429 12.508 ( 4.105 0.753 2.897) 5.080 12.563 ( 3.796 0.976 -2.532) 4.666 13.920 ( -4.671 -0.007 5.910) 7.533 14.037 ( -3.533 0.203 -5.674) 6.687 16.803 ( -1.992 -0.032 0.716) 2.117 16.820 ( -1.865 0.072 -0.972) 2.104 17.015 ( 2.533 0.146 1.573) 2.985 17.046 ( 2.379 -0.164 -1.560) 2.849 19.047 ( 0.900 -0.470 2.663) 2.850 19.097 ( 0.299 -0.914 -2.284) 2.478 27.800 ( 1.833 -0.164 1.022) 2.105 27.825 ( 2.220 -1.127 -1.353) 2.834 29.591 ( -16.064 0.490 8.019) 17.961 29.752 ( -16.987 0.760 -7.877) 18.740 32.606 ( 17.603 3.792 11.187) 21.199 32.882 ( 17.251 2.397 -16.119) 23.732 34.616 ( -4.265 -1.662 5.204) 6.931 34.691 ( -1.340 -1.768 -2.072) 3.036 ======================= Grid point 413 (135/144) ======================= q-point: (-0.55 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -6.775 4.196 5.507) 9.687 1.940 ( -6.941 1.949 -1.421) 7.348 2.413 ( -0.898 8.387 3.330) 9.068 2.499 ( -1.949 5.143 -4.085) 6.851 3.028 ( -7.083 5.002 14.311) 16.733 3.364 ( 3.115 6.724 -16.785) 18.348 3.728 ( 8.348 1.585 8.116) 11.750 3.844 ( -0.973 5.710 -3.253) 6.643 4.026 ( 4.742 -4.219 6.026) 8.752 4.192 ( -4.254 -2.573 -8.999) 10.281 5.263 ( -5.327 2.249 2.217) 6.193 5.347 ( -9.640 -2.595 -6.336) 11.824 5.862 ( -9.302 -0.809 9.981) 13.668 6.017 ( -8.772 -1.427 -5.412) 10.405 6.279 ( -8.294 -6.370 -0.073) 10.458 6.334 ( -8.403 -2.150 -4.811) 9.919 7.413 ( 0.761 -3.607 8.198) 8.988 7.544 ( 2.923 -4.684 -4.964) 7.424 12.572 ( 4.758 1.582 2.398) 5.558 12.618 ( 4.387 2.012 -2.109) 5.266 13.833 ( -5.325 -0.133 6.694) 8.555 13.968 ( -4.067 0.346 -6.556) 7.723 16.767 ( -2.018 0.220 0.738) 2.159 16.787 ( -1.566 0.550 -1.164) 2.027 17.037 ( 0.439 0.301 1.489) 1.582 17.067 ( 0.077 0.080 -1.483) 1.487 19.076 ( 1.451 -1.147 2.605) 3.195 19.123 ( 0.956 -1.964 -2.116) 3.041 27.858 ( 4.515 -0.397 1.783) 4.870 27.898 ( 4.442 -1.698 -2.145) 5.217 29.272 ( -20.112 0.759 7.466) 21.466 29.422 ( -20.449 0.769 -7.348) 21.743 32.806 ( 14.000 9.540 11.712) 20.595 33.087 ( 12.918 7.697 -16.100) 22.031 34.606 ( -0.921 -4.790 7.273) 8.757 34.725 ( 1.431 -4.143 -4.478) 6.266 ======================= Grid point 414 (136/144) ======================= q-point: (-0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -11.138 6.536 3.170) 13.298 1.716 ( -12.781 6.573 -3.622) 14.821 2.284 ( -4.447 11.187 3.342) 12.494 2.361 ( -5.433 8.787 -3.584) 10.935 2.893 ( 2.195 6.609 18.373) 19.648 3.275 ( 1.514 9.762 -16.444) 19.183 3.636 ( -12.297 2.813 4.787) 13.493 3.770 ( -5.959 0.842 -6.354) 8.752 4.231 ( 9.848 -2.297 4.450) 11.049 4.288 ( 12.743 1.891 0.100) 12.883 5.061 ( -16.231 0.030 2.759) 16.464 5.183 ( -13.262 -2.892 -7.379) 15.450 5.764 ( -1.445 -0.759 10.672) 10.797 5.908 ( -4.366 0.413 -4.314) 6.151 6.214 ( -6.930 -5.498 -2.125) 9.097 6.259 ( -6.116 -5.991 -6.282) 10.619 7.505 ( 2.162 -8.579 9.950) 13.315 7.673 ( 3.748 -8.512 -6.895) 11.577 12.629 ( 4.252 2.443 1.705) 5.192 12.663 ( 3.785 2.704 -1.639) 4.932 13.748 ( -4.726 -0.146 7.368) 8.755 13.896 ( -3.621 0.629 -7.232) 8.112 16.734 ( -1.258 0.487 1.021) 1.691 16.759 ( -0.598 0.884 -1.447) 1.798 17.028 ( -0.953 0.445 1.091) 1.515 17.052 ( -1.328 0.373 -1.374) 1.947 19.121 ( 1.643 -2.070 2.936) 3.950 19.170 ( 1.307 -2.922 -2.036) 3.794 27.961 ( 7.082 -0.171 2.319) 7.454 28.008 ( 6.440 -1.346 -2.392) 7.000 28.907 ( -20.941 1.270 6.943) 22.099 29.050 ( -21.764 1.033 -7.140) 22.929 32.867 ( 9.191 15.179 11.790) 21.305 33.148 ( 8.086 13.508 -16.066) 22.493 34.686 ( 1.701 -8.007 8.061) 11.489 34.822 ( 2.849 -6.442 -5.507) 8.941 ======================= Grid point 415 (137/144) ======================= q-point: (-0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -12.729 5.290 4.063) 14.371 1.467 ( -6.296 4.968 -7.136) 10.735 2.006 ( -8.056 15.808 7.422) 19.232 2.158 ( -5.843 10.846 -7.155) 14.247 2.936 ( 10.797 8.086 17.685) 22.242 3.237 ( 1.788 6.601 -1.870) 7.090 3.413 ( -6.275 4.747 -3.472) 8.600 3.608 ( -9.620 1.667 -13.321) 16.516 4.354 ( 6.967 6.732 9.297) 13.428 4.434 ( 4.964 2.376 6.698) 8.669 4.760 ( -13.236 3.958 -0.429) 13.822 4.950 ( -15.137 1.332 -13.004) 20.000 5.842 ( 4.349 -6.587 10.387) 13.046 5.885 ( 2.668 0.612 3.379) 4.348 6.181 ( -4.739 -6.369 -6.299) 10.135 6.230 ( -5.269 -6.540 -8.852) 12.202 7.670 ( 2.182 -14.219 10.506) 17.813 7.853 ( 3.072 -13.138 -7.796) 15.583 12.655 ( 2.477 3.507 1.296) 4.485 12.685 ( 2.182 2.579 -1.586) 3.732 13.681 ( -2.951 0.042 7.614) 8.166 13.835 ( -2.293 1.107 -7.506) 7.927 16.718 ( -0.076 0.307 1.440) 1.474 16.749 ( 0.412 0.756 -1.616) 1.831 17.001 ( -1.225 0.707 0.676) 1.568 17.021 ( -1.396 0.735 -1.354) 2.079 19.175 ( 1.269 -3.041 3.428) 4.755 19.228 ( 1.078 -3.612 -1.916) 4.228 28.099 ( 9.372 0.763 2.811) 9.814 28.144 ( 8.746 0.111 -1.639) 8.899 28.553 ( -17.868 1.803 5.198) 18.696 28.675 ( -19.625 1.899 -6.721) 20.831 32.789 ( 4.276 19.534 11.805) 23.221 33.072 ( 3.679 18.298 -16.246) 24.744 34.825 ( 2.078 -10.541 7.474) 13.088 34.951 ( 2.276 -8.385 -5.105) 10.077 ======================= Grid point 416 (138/144) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.000 1.253 8.660) 8.750 1.389 ( -0.000 1.898 -9.706) 9.890 1.729 ( -0.000 17.885 10.212) 20.595 1.973 ( -0.000 9.867 -13.246) 16.517 3.038 ( -0.000 10.306 17.836) 20.600 3.060 ( -0.000 6.540 20.061) 21.100 3.406 ( -0.000 4.615 -18.871) 19.427 3.424 ( -0.000 5.066 -15.885) 16.673 4.337 ( -0.000 6.872 16.852) 18.199 4.390 ( -0.000 5.048 13.078) 14.018 4.668 ( -0.000 3.201 -14.092) 14.451 4.687 ( -0.000 8.217 -17.598) 19.422 5.917 ( -0.000 2.189 12.094) 12.290 5.985 ( 0.000 -9.118 15.438) 17.930 6.189 ( 0.000 -3.237 -14.480) 14.837 6.252 ( 0.000 -7.021 -11.002) 13.051 7.879 ( 0.000 -19.559 9.832) 21.892 8.052 ( 0.000 -17.380 -7.365) 18.876 12.634 ( -0.000 3.984 1.831) 4.385 12.678 ( -0.000 2.204 -2.413) 3.268 13.653 ( -0.000 0.184 7.195) 7.197 13.799 ( -0.000 1.495 -7.197) 7.351 16.719 ( -0.000 0.008 1.493) 1.493 16.749 ( -0.000 0.557 -1.455) 1.558 16.979 ( -0.000 1.000 0.458) 1.100 16.997 ( -0.000 1.125 -1.372) 1.774 19.224 ( 0.000 -3.604 3.826) 5.256 19.279 ( 0.000 -3.731 -1.750) 4.122 28.228 ( -0.000 3.350 8.402) 9.045 28.277 ( -0.000 0.557 1.705) 1.793 28.315 ( -0.000 0.983 -2.023) 2.249 28.400 ( -0.000 3.416 -8.550) 9.208 32.594 ( -0.000 21.969 11.789) 24.932 32.880 ( -0.000 21.741 -16.812) 27.483 34.972 ( 0.000 -12.273 6.318) 13.804 35.072 ( 0.000 -9.805 -3.815) 10.521 ======================= Grid point 423 (139/144) ======================= q-point: ( 0.36 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -5.049 0.000 3.414) 6.095 1.945 ( -6.772 0.000 0.351) 6.781 2.528 ( 1.118 -0.000 -0.158) 1.130 2.550 ( -1.796 0.000 -0.378) 1.836 3.088 ( -4.692 0.000 16.306) 16.968 3.439 ( 7.607 -0.000 -15.820) 17.554 3.767 ( 4.899 -0.000 13.649) 14.501 3.933 ( 8.972 -0.000 -0.814) 9.009 3.996 ( -6.816 0.000 -1.290) 6.937 4.093 ( -7.894 0.000 -12.812) 15.048 5.314 ( -2.021 0.000 -0.712) 2.143 5.319 ( -11.242 0.000 -2.194) 11.455 5.840 ( -8.656 0.000 8.896) 12.413 6.015 ( -6.427 0.000 -8.803) 10.900 6.179 ( -11.053 0.000 5.586) 12.384 6.310 ( -8.847 0.000 -6.894) 11.215 7.375 ( -0.776 0.000 7.709) 7.748 7.492 ( 2.553 -0.000 -4.135) 4.860 12.590 ( 4.845 -0.000 2.721) 5.556 12.642 ( 4.578 -0.000 -2.366) 5.154 13.832 ( -5.320 0.000 6.964) 8.764 13.972 ( -4.020 0.000 -6.821) 7.918 16.769 ( -1.886 0.000 0.929) 2.103 16.793 ( -1.414 0.000 -1.372) 1.970 17.040 ( 0.382 -0.000 1.428) 1.478 17.067 ( 0.182 -0.000 -1.256) 1.270 19.064 ( 1.296 -0.000 1.906) 2.305 19.099 ( 0.657 -0.000 -1.706) 1.828 27.856 ( 4.798 -0.000 0.732) 4.853 27.875 ( 4.515 -0.000 -1.119) 4.652 29.282 ( -20.007 0.000 7.459) 21.353 29.433 ( -20.499 0.000 -7.454) 21.812 32.916 ( 15.440 -0.000 10.673) 18.770 33.173 ( 14.557 -0.000 -14.586) 20.608 34.550 ( -2.062 0.000 7.573) 7.849 34.677 ( 0.921 -0.000 -4.979) 5.063 ======================= Grid point 425 (140/144) ======================= q-point: (-0.55 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -13.427 2.770 1.836) 13.832 1.774 ( -12.922 -0.016 -1.553) 13.015 2.518 ( 2.132 6.515 -0.334) 6.863 2.539 ( 0.245 6.321 -1.895) 6.603 2.972 ( -3.337 0.911 26.293) 26.520 3.432 ( -2.582 3.616 -11.736) 12.549 3.720 ( -10.032 4.107 -4.294) 11.660 3.800 ( -10.832 1.641 -6.261) 12.619 4.108 ( 13.697 -5.405 7.408) 16.483 4.271 ( 15.226 -3.286 -7.817) 17.428 5.072 ( -15.911 1.138 5.340) 16.821 5.200 ( -9.170 2.272 -5.949) 11.165 5.748 ( -3.337 -1.181 10.488) 11.069 5.916 ( -3.548 2.247 -4.270) 5.989 6.065 ( -7.222 -7.293 -0.127) 10.264 6.176 ( -7.736 -1.305 -8.696) 11.712 7.383 ( 0.152 -2.672 10.132) 10.479 7.550 ( 2.432 -2.767 -6.624) 7.580 12.665 ( 4.321 0.874 2.354) 4.997 12.711 ( 4.070 1.272 -2.096) 4.751 13.746 ( -4.549 -0.012 7.968) 9.175 13.906 ( -3.393 0.261 -7.785) 8.496 16.741 ( -1.347 0.133 1.401) 1.948 16.773 ( -0.704 0.316 -1.772) 1.933 17.033 ( -0.981 0.097 1.093) 1.472 17.056 ( -1.265 0.051 -1.195) 1.741 19.090 ( 1.281 -0.673 1.661) 2.202 19.120 ( 0.825 -1.381 -1.396) 2.130 27.962 ( 7.714 0.312 0.874) 7.769 27.980 ( 7.161 -1.041 -0.972) 7.301 28.928 ( -20.592 0.566 6.847) 21.707 29.070 ( -21.284 0.572 -7.097) 22.443 33.110 ( 10.761 6.045 10.315) 16.085 33.357 ( 9.920 5.050 -14.038) 17.916 34.553 ( 0.232 -3.480 9.521) 10.140 34.720 ( 2.294 -2.543 -7.034) 7.824 ======================= Grid point 426 (141/144) ======================= q-point: (-0.45 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -17.385 1.871 4.643) 18.092 1.547 ( -10.447 2.191 -7.299) 12.932 2.380 ( -2.330 16.082 6.187) 17.387 2.436 ( 0.316 12.826 -1.742) 12.947 3.014 ( 5.935 -1.286 19.922) 20.827 3.336 ( -4.912 2.605 3.979) 6.837 3.518 ( -4.534 4.857 -13.584) 15.122 3.627 ( -8.021 0.279 -14.907) 16.930 4.389 ( 11.121 -3.046 9.905) 15.201 4.505 ( 9.306 2.217 0.848) 9.604 4.799 ( -13.009 0.743 5.136) 14.006 5.006 ( -8.469 3.712 -11.003) 14.372 5.737 ( -0.055 -2.850 11.883) 12.220 5.876 ( -0.076 -0.675 0.584) 0.896 6.043 ( -4.673 -5.934 -5.629) 9.420 6.088 ( -5.857 -4.820 -10.511) 12.963 7.442 ( 0.627 -6.716 11.369) 13.219 7.637 ( 1.788 -6.537 -8.230) 10.661 12.712 ( 2.573 1.675 1.716) 3.518 12.746 ( 2.356 2.461 -1.662) 3.791 13.683 ( -2.667 0.093 8.573) 8.978 13.855 ( -1.980 0.649 -8.325) 8.582 16.723 ( -0.518 0.130 1.914) 1.987 16.763 ( -0.002 0.439 -2.022) 2.069 17.012 ( -1.101 0.294 0.685) 1.330 17.030 ( -1.283 0.224 -1.242) 1.799 19.121 ( 0.851 -1.670 2.036) 2.767 19.156 ( 0.655 -2.673 -1.455) 3.113 28.111 ( 10.227 0.423 1.834) 10.399 28.137 ( 10.042 -0.569 -0.831) 10.092 28.586 ( -17.989 1.126 5.544) 18.858 28.713 ( -18.729 1.333 -6.835) 19.982 33.146 ( 5.253 12.050 10.403) 16.764 33.394 ( 4.685 10.650 -14.050) 18.242 34.627 ( 1.117 -7.070 9.748) 12.093 34.800 ( 1.897 -5.017 -7.487) 9.210 ======================= Grid point 427 (142/144) ======================= q-point: (-0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -0.000 1.377 8.532) 8.643 1.431 ( -0.000 1.705 -10.841) 10.975 2.157 ( -0.000 19.519 6.965) 20.724 2.268 ( -0.000 15.847 -4.655) 16.517 3.122 ( 0.000 -1.159 18.286) 18.322 3.213 ( -0.000 5.613 12.614) 13.807 3.473 ( -0.000 1.625 -13.397) 13.495 3.524 ( -0.000 3.950 -20.254) 20.636 4.488 ( -0.000 2.777 10.568) 10.927 4.507 ( -0.000 7.978 18.480) 20.129 4.696 ( 0.000 -1.383 -9.526) 9.626 4.861 ( -0.000 6.948 -15.809) 17.269 5.803 ( 0.000 -6.889 14.736) 16.267 5.905 ( 0.000 -2.138 5.670) 6.060 6.059 ( 0.000 -6.325 -9.224) 11.184 6.096 ( 0.000 -6.779 -13.609) 15.204 7.546 ( 0.000 -10.884 11.547) 15.868 7.748 ( 0.000 -10.297 -8.615) 13.425 12.711 ( -0.000 2.554 1.067) 2.768 12.735 ( -0.000 3.020 -1.262) 3.273 13.658 ( -0.000 0.212 8.477) 8.480 13.828 ( -0.000 1.041 -8.262) 8.327 16.719 ( -0.000 0.004 2.043) 2.043 16.760 ( -0.000 0.420 -1.980) 2.024 16.996 ( -0.000 0.553 0.538) 0.771 17.014 ( -0.000 0.504 -1.348) 1.439 19.153 ( 0.000 -2.658 2.716) 3.801 19.196 ( 0.000 -3.528 -1.659) 3.899 28.278 ( 0.000 -0.221 1.932) 1.945 28.295 ( -0.000 2.562 8.494) 8.872 28.319 ( 0.000 -0.323 -2.098) 2.122 28.468 ( -0.000 2.632 -8.613) 9.006 33.030 ( -0.000 16.796 10.975) 20.064 33.290 ( -0.000 15.153 -14.708) 21.117 34.731 ( 0.000 -9.477 8.662) 12.839 34.884 ( 0.000 -7.048 -6.617) 9.667 ======================= Grid point 436 (143/144) ======================= q-point: ( 0.45 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -18.312 0.000 4.771) 18.924 1.570 ( -11.047 0.000 -7.590) 13.403 2.567 ( 0.654 -0.000 5.206) 5.247 2.648 ( 3.475 -0.000 -5.031) 6.114 2.943 ( 0.805 -0.000 30.591) 30.601 3.364 ( -6.035 0.000 5.115) 7.911 3.588 ( -10.486 0.000 -8.904) 13.756 3.626 ( -3.839 0.000 -26.831) 27.104 4.341 ( 14.378 -0.000 9.203) 17.071 4.494 ( 11.447 -0.000 -5.978) 12.913 4.829 ( -13.217 0.000 12.321) 18.069 5.054 ( -8.156 0.000 -7.741) 11.245 5.706 ( -1.438 0.000 9.701) 9.807 5.898 ( -4.500 0.000 4.906) 6.657 5.928 ( 0.623 -0.000 -10.211) 10.230 6.048 ( -6.307 0.000 -10.297) 12.075 7.369 ( 0.048 -0.000 11.424) 11.424 7.565 ( 1.254 -0.000 -8.290) 8.384 12.730 ( 2.555 -0.000 2.300) 3.438 12.775 ( 2.436 -0.000 -2.085) 3.207 13.684 ( -2.587 0.000 8.904) 9.272 13.862 ( -1.895 0.000 -8.603) 8.810 16.724 ( -0.646 0.000 2.103) 2.200 16.768 ( -0.149 0.000 -2.190) 2.195 17.015 ( -1.007 0.000 0.649) 1.199 17.033 ( -1.238 0.000 -1.154) 1.693 19.104 ( 0.772 -0.000 1.086) 1.332 19.123 ( 0.488 -0.000 -0.889) 1.015 28.118 ( 10.129 -0.000 0.936) 10.172 28.127 ( 10.808 -0.000 -0.006) 10.808 28.599 ( -18.052 0.000 5.700) 18.930 28.728 ( -18.506 0.000 -6.930) 19.761 33.284 ( 5.533 -0.000 9.507) 11.000 33.517 ( 5.201 -0.000 -13.327) 14.306 34.542 ( 0.687 -0.000 11.324) 11.345 34.743 ( 1.809 -0.000 -8.647) 8.834 ======================= Grid point 438 (144/144) ======================= q-point: (-0.45 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 2.72e-04 2.72e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.000 0.575 8.389) 8.409 1.458 ( -0.000 0.673 -11.457) 11.476 2.516 ( -0.000 10.203 8.478) 13.265 2.597 ( -0.000 12.560 -2.549) 12.816 3.014 ( 0.000 -7.436 23.950) 25.078 3.292 ( -0.000 1.673 9.779) 9.922 3.491 ( -0.000 0.265 -10.200) 10.203 3.590 ( -0.000 1.797 -29.317) 29.372 4.508 ( -0.000 0.004 6.112) 6.112 4.622 ( 0.000 -3.636 -5.026) 6.204 4.650 ( -0.000 4.055 18.535) 18.973 4.965 ( -0.000 2.232 -10.640) 10.871 5.702 ( 0.000 -2.178 10.673) 10.893 5.866 ( 0.000 -0.907 4.222) 4.318 5.974 ( 0.000 -1.546 -6.440) 6.623 5.978 ( 0.000 -3.273 -14.785) 15.143 7.389 ( 0.000 -3.576 11.834) 12.362 7.596 ( 0.000 -3.533 -8.879) 9.556 12.748 ( -0.000 0.857 2.060) 2.231 12.789 ( -0.000 1.389 -1.926) 2.375 13.661 ( -0.000 0.090 9.148) 9.148 13.843 ( -0.000 0.372 -8.808) 8.816 16.719 ( -0.000 0.001 2.371) 2.371 16.766 ( -0.000 0.156 -2.289) 2.295 17.004 ( -0.000 0.198 0.455) 0.496 17.020 ( -0.000 0.106 -1.195) 1.199 19.115 ( 0.000 -0.766 1.292) 1.502 19.137 ( 0.000 -1.641 -0.978) 1.910 28.274 ( 0.000 -0.127 1.706) 1.711 28.310 ( 0.000 -0.316 -1.872) 1.898 28.335 ( -0.000 0.956 8.561) 8.614 28.509 ( -0.000 0.986 -8.662) 8.718 33.295 ( -0.000 6.529 9.555) 11.573 33.528 ( -0.000 5.927 -13.313) 14.573 34.573 ( 0.000 -4.197 11.289) 12.043 34.774 ( 0.000 -2.700 -8.734) 9.142 =================== 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 3/30492 10.0 185.086 179.297 140.247 0.000 0.000 -0.000 3/30492 20.0 74.679 44.354 50.510 0.000 0.000 -0.000 3/30492 30.0 42.816 21.878 27.551 0.000 0.000 -0.000 3/30492 40.0 28.316 13.552 17.833 0.000 0.000 -0.000 3/30492 50.0 20.623 9.505 12.837 0.000 0.000 -0.000 3/30492 60.0 16.060 7.224 9.924 0.000 0.000 -0.000 3/30492 70.0 13.115 5.803 8.063 0.000 0.000 -0.000 3/30492 80.0 11.081 4.847 6.787 0.000 0.000 -0.000 3/30492 90.0 9.600 4.166 5.864 0.000 0.000 -0.000 3/30492 100.0 8.475 3.658 5.166 0.000 0.000 -0.000 3/30492 110.0 7.592 3.264 4.620 0.000 0.000 -0.000 3/30492 120.0 6.881 2.950 4.181 0.000 0.000 -0.000 3/30492 130.0 6.296 2.693 3.821 0.000 0.000 -0.000 3/30492 140.0 5.807 2.480 3.520 0.000 0.000 -0.000 3/30492 150.0 5.392 2.300 3.265 0.000 0.000 -0.000 3/30492 160.0 5.036 2.145 3.047 0.000 0.000 -0.000 3/30492 170.0 4.728 2.012 2.857 0.000 0.000 -0.000 3/30492 180.0 4.459 1.895 2.692 0.000 0.000 -0.000 3/30492 190.0 4.223 1.793 2.546 0.000 0.000 -0.000 3/30492 200.0 4.013 1.702 2.416 0.000 0.000 -0.000 3/30492 210.0 3.827 1.621 2.300 0.000 0.000 -0.000 3/30492 220.0 3.660 1.549 2.197 0.000 0.000 -0.000 3/30492 230.0 3.510 1.484 2.103 0.000 0.000 -0.000 3/30492 240.0 3.374 1.425 2.018 0.000 0.000 -0.000 3/30492 250.0 3.250 1.371 1.941 0.000 0.000 -0.000 3/30492 260.0 3.137 1.322 1.870 0.000 0.000 -0.000 3/30492 270.0 3.033 1.277 1.805 0.000 0.000 -0.000 3/30492 280.0 2.937 1.236 1.745 0.000 0.000 -0.000 3/30492 290.0 2.849 1.197 1.690 0.000 0.000 -0.000 3/30492 300.0 2.767 1.162 1.639 0.000 0.000 -0.000 3/30492 310.0 2.690 1.129 1.591 0.000 0.000 -0.000 3/30492 320.0 2.618 1.098 1.546 0.000 0.000 -0.000 3/30492 330.0 2.551 1.069 1.505 0.000 0.000 -0.000 3/30492 340.0 2.488 1.042 1.465 0.000 0.000 -0.000 3/30492 350.0 2.428 1.017 1.428 0.000 0.000 -0.000 3/30492 360.0 2.372 0.993 1.394 0.000 0.000 -0.000 3/30492 370.0 2.319 0.970 1.361 0.000 0.000 -0.000 3/30492 380.0 2.268 0.948 1.329 0.000 0.000 -0.000 3/30492 390.0 2.220 0.928 1.300 0.000 0.000 -0.000 3/30492 400.0 2.174 0.908 1.272 0.000 0.000 -0.000 3/30492 410.0 2.130 0.890 1.245 0.000 0.000 -0.000 3/30492 420.0 2.087 0.872 1.219 0.000 0.000 -0.000 3/30492 430.0 2.047 0.855 1.194 0.000 0.000 -0.000 3/30492 440.0 2.008 0.839 1.171 0.000 0.000 -0.000 3/30492 450.0 1.971 0.823 1.148 0.000 0.000 -0.000 3/30492 460.0 1.936 0.808 1.127 0.000 0.000 -0.000 3/30492 470.0 1.901 0.794 1.106 0.000 0.000 -0.000 3/30492 480.0 1.868 0.780 1.086 0.000 0.000 -0.000 3/30492 490.0 1.836 0.766 1.067 0.000 0.000 -0.000 3/30492 500.0 1.805 0.754 1.048 0.000 0.000 -0.000 3/30492 510.0 1.775 0.741 1.031 0.000 0.000 -0.000 3/30492 520.0 1.747 0.729 1.013 0.000 0.000 -0.000 3/30492 530.0 1.719 0.717 0.997 0.000 0.000 -0.000 3/30492 540.0 1.692 0.706 0.981 0.000 0.000 -0.000 3/30492 550.0 1.665 0.695 0.965 0.000 0.000 -0.000 3/30492 560.0 1.640 0.685 0.950 0.000 0.000 -0.000 3/30492 570.0 1.615 0.674 0.935 0.000 0.000 -0.000 3/30492 580.0 1.591 0.664 0.921 0.000 0.000 -0.000 3/30492 590.0 1.568 0.655 0.907 0.000 0.000 -0.000 3/30492 600.0 1.546 0.645 0.894 0.000 0.000 -0.000 3/30492 610.0 1.524 0.636 0.881 0.000 0.000 -0.000 3/30492 620.0 1.502 0.627 0.869 0.000 0.000 -0.000 3/30492 630.0 1.482 0.619 0.856 0.000 0.000 -0.000 3/30492 640.0 1.462 0.610 0.845 0.000 0.000 -0.000 3/30492 650.0 1.442 0.602 0.833 0.000 0.000 -0.000 3/30492 660.0 1.423 0.594 0.822 0.000 0.000 -0.000 3/30492 670.0 1.404 0.586 0.811 0.000 0.000 -0.000 3/30492 680.0 1.386 0.579 0.800 0.000 0.000 -0.000 3/30492 690.0 1.368 0.572 0.790 0.000 0.000 -0.000 3/30492 700.0 1.351 0.564 0.780 0.000 0.000 -0.000 3/30492 710.0 1.334 0.557 0.770 0.000 0.000 -0.000 3/30492 720.0 1.318 0.550 0.760 0.000 0.000 -0.000 3/30492 730.0 1.301 0.544 0.751 0.000 0.000 -0.000 3/30492 740.0 1.286 0.537 0.742 0.000 0.000 -0.000 3/30492 750.0 1.270 0.531 0.733 0.000 0.000 -0.000 3/30492 760.0 1.255 0.525 0.724 0.000 0.000 -0.000 3/30492 770.0 1.241 0.519 0.715 0.000 0.000 -0.000 3/30492 780.0 1.226 0.513 0.707 0.000 0.000 -0.000 3/30492 790.0 1.212 0.507 0.699 0.000 0.000 -0.000 3/30492 800.0 1.199 0.501 0.691 0.000 0.000 -0.000 3/30492 810.0 1.185 0.496 0.683 0.000 0.000 -0.000 3/30492 820.0 1.172 0.490 0.675 0.000 0.000 -0.000 3/30492 830.0 1.159 0.485 0.668 0.000 0.000 -0.000 3/30492 840.0 1.147 0.480 0.661 0.000 0.000 -0.000 3/30492 850.0 1.135 0.474 0.653 0.000 0.000 -0.000 3/30492 860.0 1.123 0.469 0.646 0.000 0.000 -0.000 3/30492 870.0 1.111 0.464 0.640 0.000 0.000 -0.000 3/30492 880.0 1.099 0.460 0.633 0.000 0.000 -0.000 3/30492 890.0 1.088 0.455 0.626 0.000 0.000 -0.000 3/30492 900.0 1.077 0.450 0.620 0.000 0.000 -0.000 3/30492 910.0 1.066 0.446 0.614 0.000 0.000 -0.000 3/30492 920.0 1.055 0.441 0.607 0.000 0.000 -0.000 3/30492 930.0 1.045 0.437 0.601 0.000 0.000 -0.000 3/30492 940.0 1.034 0.433 0.595 0.000 0.000 -0.000 3/30492 950.0 1.024 0.429 0.590 0.000 0.000 -0.000 3/30492 960.0 1.015 0.424 0.584 0.000 0.000 -0.000 3/30492 970.0 1.005 0.420 0.578 0.000 0.000 -0.000 3/30492 980.0 0.995 0.416 0.573 0.000 0.000 -0.000 3/30492 990.0 0.986 0.413 0.567 0.000 0.000 -0.000 3/30492 1000.0 0.977 0.409 0.562 0.000 0.000 -0.000 3/30492 Thermal conductivity related properties were written into "kappa-m11117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:55:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|