----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:12:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.657450140120273 0.000000000000000 0.000000000000000 b 0.000000000000000 5.960987229999999 0.000000000000000 c -5.507765574637320 0.000000000000000 8.131987204138889 Atomic positions (fractional): *1 O 0.25675509787957 0.27666030484600 0.42580635454278 15.999 2 O 0.74324490212043 0.77666030484600 0.07419364545722 15.999 3 O 0.74324490212043 0.72333969515400 0.57419364545722 15.999 4 O 0.25675509787957 0.22333969515401 0.92580635454278 15.999 *5 O 0.39430049203780 0.94341967672072 0.27221939548690 15.999 6 O 0.60569950796220 0.44341967672071 0.22778060451310 15.999 7 O 0.60569950796220 0.05658032327928 0.72778060451310 15.999 8 O 0.39430049203780 0.55658032327928 0.77221939548690 15.999 *9 O 0.16116855053068 0.67571661415064 0.94806437988307 15.999 10 O 0.83883144946932 0.17571661415064 0.55193562011693 15.999 11 O 0.83883144946932 0.32428338584936 0.05193562011693 15.999 12 O 0.16116855053068 0.82428338584936 0.44806437988307 15.999 *13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *15 La 0.22596891913108 0.93944729027392 0.74440865145717 138.905 16 La 0.77403108086892 0.43944729027392 0.75559134854283 138.905 17 La 0.22596891913108 0.56055270972608 0.24440865145717 138.905 18 La 0.77403108086892 0.06055270972608 0.25559134854283 138.905 *19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.657450140120273 0.000000000000000 0.000000000000000 b 0.000000000000000 5.960987229999999 0.000000000000000 c -5.507765574637320 0.000000000000000 8.131987204138889 Atomic positions (fractional): *1 O 0.25675509787957 0.27666030484600 0.42580635454278 15.999 > 1 2 O 0.74324490212043 0.77666030484600 0.07419364545722 15.999 > 2 3 O 0.74324490212043 0.72333969515400 0.57419364545722 15.999 > 3 4 O 0.25675509787957 0.22333969515401 0.92580635454278 15.999 > 4 *5 O 0.39430049203780 0.94341967672072 0.27221939548690 15.999 > 5 6 O 0.60569950796220 0.44341967672071 0.22778060451310 15.999 > 6 7 O 0.60569950796220 0.05658032327928 0.72778060451310 15.999 > 7 8 O 0.39430049203780 0.55658032327928 0.77221939548690 15.999 > 8 *9 O 0.16116855053068 0.67571661415064 0.94806437988307 15.999 > 9 10 O 0.83883144946932 0.17571661415064 0.55193562011693 15.999 > 10 11 O 0.83883144946932 0.32428338584936 0.05193562011693 15.999 > 11 12 O 0.16116855053068 0.82428338584936 0.44806437988307 15.999 > 12 *13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 13 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 14 *15 La 0.22596891913108 0.93944729027392 0.74440865145717 138.905 > 15 16 La 0.77403108086892 0.43944729027392 0.75559134854283 138.905 > 16 17 La 0.22596891913108 0.56055270972608 0.24440865145717 138.905 > 17 18 La 0.77403108086892 0.06055270972608 0.25559134854283 138.905 > 18 *19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 > 19 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.314900280240545 0.000000000000000 0.000000000000000 b 0.000000000000000 11.921974459999998 0.000000000000000 c -5.507765574637320 0.000000000000000 8.131987204138889 Atomic positions (fractional): *1 O 0.12837754893979 0.13833015242300 0.42580635454278 15.999 > 1 2 O 0.62837754893979 0.13833015242300 0.42580635454278 15.999 > 1 3 O 0.12837754893979 0.63833015242300 0.42580635454278 15.999 > 1 4 O 0.62837754893979 0.63833015242300 0.42580635454278 15.999 > 1 5 O 0.37162245106022 0.38833015242300 0.07419364545722 15.999 > 2 6 O 0.87162245106022 0.38833015242300 0.07419364545722 15.999 > 2 7 O 0.37162245106022 0.88833015242300 0.07419364545722 15.999 > 2 8 O 0.87162245106022 0.88833015242300 0.07419364545722 15.999 > 2 9 O 0.37162245106022 0.36166984757700 0.57419364545722 15.999 > 3 10 O 0.87162245106022 0.36166984757700 0.57419364545722 15.999 > 3 11 O 0.37162245106022 0.86166984757700 0.57419364545722 15.999 > 3 12 O 0.87162245106022 0.86166984757700 0.57419364545722 15.999 > 3 13 O 0.12837754893979 0.11166984757700 0.92580635454278 15.999 > 4 14 O 0.62837754893979 0.11166984757700 0.92580635454278 15.999 > 4 15 O 0.12837754893979 0.61166984757700 0.92580635454278 15.999 > 4 16 O 0.62837754893979 0.61166984757700 0.92580635454278 15.999 > 4 *17 O 0.19715024601890 0.47170983836036 0.27221939548690 15.999 > 5 18 O 0.69715024601890 0.47170983836036 0.27221939548690 15.999 > 5 19 O 0.19715024601890 0.97170983836036 0.27221939548690 15.999 > 5 20 O 0.69715024601890 0.97170983836036 0.27221939548690 15.999 > 5 21 O 0.30284975398110 0.22170983836036 0.22778060451310 15.999 > 6 22 O 0.80284975398110 0.22170983836036 0.22778060451310 15.999 > 6 23 O 0.30284975398110 0.72170983836036 0.22778060451310 15.999 > 6 24 O 0.80284975398110 0.72170983836036 0.22778060451310 15.999 > 6 25 O 0.30284975398110 0.02829016163964 0.72778060451310 15.999 > 7 26 O 0.80284975398110 0.02829016163964 0.72778060451310 15.999 > 7 27 O 0.30284975398110 0.52829016163964 0.72778060451310 15.999 > 7 28 O 0.80284975398110 0.52829016163964 0.72778060451310 15.999 > 7 29 O 0.19715024601890 0.27829016163964 0.77221939548690 15.999 > 8 30 O 0.69715024601890 0.27829016163964 0.77221939548690 15.999 > 8 31 O 0.19715024601890 0.77829016163964 0.77221939548690 15.999 > 8 32 O 0.69715024601890 0.77829016163964 0.77221939548690 15.999 > 8 *33 O 0.08058427526534 0.33785830707532 0.94806437988307 15.999 > 9 34 O 0.58058427526534 0.33785830707532 0.94806437988307 15.999 > 9 35 O 0.08058427526534 0.83785830707532 0.94806437988307 15.999 > 9 36 O 0.58058427526534 0.83785830707532 0.94806437988307 15.999 > 9 37 O 0.41941572473466 0.08785830707532 0.55193562011693 15.999 > 10 38 O 0.91941572473466 0.08785830707532 0.55193562011693 15.999 > 10 39 O 0.41941572473466 0.58785830707532 0.55193562011693 15.999 > 10 40 O 0.91941572473466 0.58785830707532 0.55193562011693 15.999 > 10 41 O 0.41941572473466 0.16214169292468 0.05193562011693 15.999 > 11 42 O 0.91941572473466 0.16214169292468 0.05193562011693 15.999 > 11 43 O 0.41941572473466 0.66214169292468 0.05193562011693 15.999 > 11 44 O 0.91941572473466 0.66214169292468 0.05193562011693 15.999 > 11 45 O 0.08058427526534 0.41214169292468 0.44806437988307 15.999 > 12 46 O 0.58058427526534 0.41214169292468 0.44806437988307 15.999 > 12 47 O 0.08058427526534 0.91214169292468 0.44806437988307 15.999 > 12 48 O 0.58058427526534 0.91214169292468 0.44806437988307 15.999 > 12 *49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 13 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 13 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 13 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 13 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 14 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 14 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 14 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 14 *57 La 0.11298445956554 0.46972364513696 0.74440865145717 138.905 > 15 58 La 0.61298445956554 0.46972364513696 0.74440865145717 138.905 > 15 59 La 0.11298445956554 0.96972364513696 0.74440865145717 138.905 > 15 60 La 0.61298445956554 0.96972364513696 0.74440865145717 138.905 > 15 61 La 0.38701554043446 0.21972364513696 0.75559134854283 138.905 > 16 62 La 0.88701554043446 0.21972364513696 0.75559134854283 138.905 > 16 63 La 0.38701554043446 0.71972364513696 0.75559134854283 138.905 > 16 64 La 0.88701554043446 0.71972364513696 0.75559134854283 138.905 > 16 65 La 0.11298445956554 0.28027635486304 0.24440865145717 138.905 > 17 66 La 0.61298445956554 0.28027635486304 0.24440865145717 138.905 > 17 67 La 0.11298445956554 0.78027635486304 0.24440865145717 138.905 > 17 68 La 0.61298445956554 0.78027635486304 0.24440865145717 138.905 > 17 69 La 0.38701554043446 0.03027635486304 0.25559134854283 138.905 > 18 70 La 0.88701554043446 0.03027635486304 0.25559134854283 138.905 > 18 71 La 0.38701554043446 0.53027635486304 0.25559134854283 138.905 > 18 72 La 0.88701554043446 0.53027635486304 0.25559134854283 138.905 > 18 *73 Ta 0.25000000000000 0.25000000000000 0.00000000000000 180.948 > 19 74 Ta 0.75000000000000 0.25000000000000 0.00000000000000 180.948 > 19 75 Ta 0.25000000000000 0.75000000000000 0.00000000000000 180.948 > 19 76 Ta 0.75000000000000 0.75000000000000 0.00000000000000 180.948 > 19 77 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 20 78 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 20 79 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 20 80 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6303531 0.0000000 0.1176060 0.0000000 4.5752067 0.0000000 0.1178822 0.0000000 4.4083885 -------------------------- Born effective charges -------------------------- 1 O -2.1687186 0.2855830 -0.4806353 0.3101673 -3.4251316 0.8478111 -0.5224402 0.9012051 -2.2719417 2 O -2.1687186 -0.2855830 -0.4806353 -0.3101673 -3.4251316 -0.8478111 -0.5224402 -0.9012051 -2.2719417 3 O -2.1687186 0.2855830 -0.4806353 0.3101673 -3.4251316 0.8478111 -0.5224402 0.9012051 -2.2719417 4 O -2.1687186 -0.2855830 -0.4806353 -0.3101673 -3.4251316 -0.8478111 -0.5224402 -0.9012051 -2.2719417 5 O -2.7630914 -0.4642823 0.7830930 -0.4166690 -2.3215610 -0.5081692 0.7026651 -0.4996537 -2.8585255 6 O -2.7630914 0.4642823 0.7830930 0.4166690 -2.3215610 0.5081692 0.7026651 0.4996537 -2.8585255 7 O -2.7630914 -0.4642823 0.7830930 -0.4166690 -2.3215610 -0.5081692 0.7026651 -0.4996537 -2.8585255 8 O -2.7630914 0.4642823 0.7830930 0.4166690 -2.3215610 0.5081692 0.7026651 0.4996537 -2.8585255 9 O -3.1659881 0.2198354 -0.4129242 0.2045439 -2.1575743 0.2458502 -0.5073992 0.0849948 -2.2869878 10 O -3.1659881 -0.2198354 -0.4129242 -0.2045439 -2.1575743 -0.2458502 -0.5073992 -0.0849948 -2.2869878 11 O -3.1659881 0.2198354 -0.4129242 0.2045439 -2.1575743 0.2458502 -0.5073992 0.0849948 -2.2869878 12 O -3.1659881 -0.2198354 -0.4129242 -0.2045439 -2.1575743 -0.2458502 -0.5073992 -0.0849948 -2.2869878 13 Na 1.1234561 0.0656607 -0.0720631 -0.0225755 1.1892452 0.0453088 0.0439292 0.0527900 1.1493653 14 Na 1.1234561 -0.0656607 -0.0720631 0.0225755 1.1892452 -0.0453088 0.0439292 -0.0527900 1.1493653 15 La 4.4737551 -0.2977687 0.3332821 -0.1308406 4.4422409 -0.0321053 -0.1262592 -0.4690108 3.8776230 16 La 4.4737551 0.2977687 0.3332821 0.1308406 4.4422409 0.0321053 -0.1262592 0.4690108 3.8776230 17 La 4.4737551 0.2977687 0.3332821 0.1308406 4.4422409 0.0321053 -0.1262592 0.4690108 3.8776230 18 La 4.4737551 -0.2977687 0.3332821 -0.1308406 4.4422409 -0.0321053 -0.1262592 -0.4690108 3.8776230 19 Ta 6.1246299 0.1216167 -0.3735678 0.8933627 5.7348068 -0.2703478 0.8629381 0.2567301 5.9302984 20 Ta 6.1246299 -0.1216167 -0.3735678 -0.8933627 5.7348068 0.2703478 0.8629381 -0.2567301 5.9302984 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.231 Solver_block: 200 / 640 - Time: 2.223 Solver_block: 300 / 640 - Time: 2.208 Solver_block: 400 / 640 - Time: 2.211 Solver_block: 500 / 640 - Time: 2.204 Solver_block: 600 / 640 - Time: 2.174 Solver_block: 640 / 640 - Time: 0.966 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.326 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:12:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:12:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.657450140120273 0.000000000000000 0.000000000000000 b 0.000000000000000 5.960987229999999 0.000000000000000 c -5.507765574637320 0.000000000000000 8.131987204138889 Atomic positions (fractional): 1 O 0.25675509787957 0.27666030484600 0.42580635454278 15.999 2 O 0.74324490212043 0.77666030484600 0.07419364545722 15.999 3 O 0.74324490212043 0.72333969515400 0.57419364545722 15.999 4 O 0.25675509787957 0.22333969515401 0.92580635454278 15.999 5 O 0.39430049203780 0.94341967672072 0.27221939548690 15.999 6 O 0.60569950796220 0.44341967672071 0.22778060451310 15.999 7 O 0.60569950796220 0.05658032327928 0.72778060451310 15.999 8 O 0.39430049203780 0.55658032327928 0.77221939548690 15.999 9 O 0.16116855053068 0.67571661415064 0.94806437988307 15.999 10 O 0.83883144946932 0.17571661415064 0.55193562011693 15.999 11 O 0.83883144946932 0.32428338584936 0.05193562011693 15.999 12 O 0.16116855053068 0.82428338584936 0.44806437988307 15.999 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 15 La 0.22596891913108 0.93944729027392 0.74440865145717 138.905 16 La 0.77403108086892 0.43944729027392 0.75559134854283 138.905 17 La 0.22596891913108 0.56055270972608 0.24440865145717 138.905 18 La 0.77403108086892 0.06055270972608 0.25559134854283 138.905 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.314900280240545 0.000000000000000 0.000000000000000 b 0.000000000000000 11.921974459999998 0.000000000000000 c -5.507765574637320 0.000000000000000 8.131987204138889 Atomic positions (fractional): 1 O 0.12837754893979 0.13833015242300 0.42580635454278 15.999 > 1 2 O 0.62837754893979 0.13833015242300 0.42580635454278 15.999 > 1 3 O 0.12837754893979 0.63833015242300 0.42580635454278 15.999 > 1 4 O 0.62837754893979 0.63833015242300 0.42580635454278 15.999 > 1 5 O 0.37162245106022 0.38833015242300 0.07419364545722 15.999 > 5 6 O 0.87162245106022 0.38833015242300 0.07419364545722 15.999 > 5 7 O 0.37162245106022 0.88833015242300 0.07419364545722 15.999 > 5 8 O 0.87162245106022 0.88833015242300 0.07419364545722 15.999 > 5 9 O 0.37162245106022 0.36166984757700 0.57419364545722 15.999 > 9 10 O 0.87162245106022 0.36166984757700 0.57419364545722 15.999 > 9 11 O 0.37162245106022 0.86166984757700 0.57419364545722 15.999 > 9 12 O 0.87162245106022 0.86166984757700 0.57419364545722 15.999 > 9 13 O 0.12837754893979 0.11166984757700 0.92580635454278 15.999 > 13 14 O 0.62837754893979 0.11166984757700 0.92580635454278 15.999 > 13 15 O 0.12837754893979 0.61166984757700 0.92580635454278 15.999 > 13 16 O 0.62837754893979 0.61166984757700 0.92580635454278 15.999 > 13 17 O 0.19715024601890 0.47170983836036 0.27221939548690 15.999 > 17 18 O 0.69715024601890 0.47170983836036 0.27221939548690 15.999 > 17 19 O 0.19715024601890 0.97170983836036 0.27221939548690 15.999 > 17 20 O 0.69715024601890 0.97170983836036 0.27221939548690 15.999 > 17 21 O 0.30284975398110 0.22170983836036 0.22778060451310 15.999 > 21 22 O 0.80284975398110 0.22170983836036 0.22778060451310 15.999 > 21 23 O 0.30284975398110 0.72170983836036 0.22778060451310 15.999 > 21 24 O 0.80284975398110 0.72170983836036 0.22778060451310 15.999 > 21 25 O 0.30284975398110 0.02829016163964 0.72778060451310 15.999 > 25 26 O 0.80284975398110 0.02829016163964 0.72778060451310 15.999 > 25 27 O 0.30284975398110 0.52829016163964 0.72778060451310 15.999 > 25 28 O 0.80284975398110 0.52829016163964 0.72778060451310 15.999 > 25 29 O 0.19715024601890 0.27829016163964 0.77221939548690 15.999 > 29 30 O 0.69715024601890 0.27829016163964 0.77221939548690 15.999 > 29 31 O 0.19715024601890 0.77829016163964 0.77221939548690 15.999 > 29 32 O 0.69715024601890 0.77829016163964 0.77221939548690 15.999 > 29 33 O 0.08058427526534 0.33785830707532 0.94806437988307 15.999 > 33 34 O 0.58058427526534 0.33785830707532 0.94806437988307 15.999 > 33 35 O 0.08058427526534 0.83785830707532 0.94806437988307 15.999 > 33 36 O 0.58058427526534 0.83785830707532 0.94806437988307 15.999 > 33 37 O 0.41941572473466 0.08785830707532 0.55193562011693 15.999 > 37 38 O 0.91941572473466 0.08785830707532 0.55193562011693 15.999 > 37 39 O 0.41941572473466 0.58785830707532 0.55193562011693 15.999 > 37 40 O 0.91941572473466 0.58785830707532 0.55193562011693 15.999 > 37 41 O 0.41941572473466 0.16214169292468 0.05193562011693 15.999 > 41 42 O 0.91941572473466 0.16214169292468 0.05193562011693 15.999 > 41 43 O 0.41941572473466 0.66214169292468 0.05193562011693 15.999 > 41 44 O 0.91941572473466 0.66214169292468 0.05193562011693 15.999 > 41 45 O 0.08058427526534 0.41214169292468 0.44806437988307 15.999 > 45 46 O 0.58058427526534 0.41214169292468 0.44806437988307 15.999 > 45 47 O 0.08058427526534 0.91214169292468 0.44806437988307 15.999 > 45 48 O 0.58058427526534 0.91214169292468 0.44806437988307 15.999 > 45 49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 49 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 53 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 53 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 53 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 53 57 La 0.11298445956554 0.46972364513696 0.74440865145717 138.905 > 57 58 La 0.61298445956554 0.46972364513696 0.74440865145717 138.905 > 57 59 La 0.11298445956554 0.96972364513696 0.74440865145717 138.905 > 57 60 La 0.61298445956554 0.96972364513696 0.74440865145717 138.905 > 57 61 La 0.38701554043446 0.21972364513696 0.75559134854283 138.905 > 61 62 La 0.88701554043446 0.21972364513696 0.75559134854283 138.905 > 61 63 La 0.38701554043446 0.71972364513696 0.75559134854283 138.905 > 61 64 La 0.88701554043446 0.71972364513696 0.75559134854283 138.905 > 61 65 La 0.11298445956554 0.28027635486304 0.24440865145717 138.905 > 65 66 La 0.61298445956554 0.28027635486304 0.24440865145717 138.905 > 65 67 La 0.11298445956554 0.78027635486304 0.24440865145717 138.905 > 65 68 La 0.61298445956554 0.78027635486304 0.24440865145717 138.905 > 65 69 La 0.38701554043446 0.03027635486304 0.25559134854283 138.905 > 69 70 La 0.88701554043446 0.03027635486304 0.25559134854283 138.905 > 69 71 La 0.38701554043446 0.53027635486304 0.25559134854283 138.905 > 69 72 La 0.88701554043446 0.53027635486304 0.25559134854283 138.905 > 69 73 Ta 0.25000000000000 0.25000000000000 0.00000000000000 180.948 > 73 74 Ta 0.75000000000000 0.25000000000000 0.00000000000000 180.948 > 73 75 Ta 0.25000000000000 0.75000000000000 0.00000000000000 180.948 > 73 76 Ta 0.75000000000000 0.75000000000000 0.00000000000000 180.948 > 73 77 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 77 78 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 77 79 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 77 80 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6303531 0.0000000 0.1176060 0.0000000 4.5752067 0.0000000 0.1178822 0.0000000 4.4083885 -------------------------- Born effective charges -------------------------- 1 O -2.1687186 0.2855830 -0.4806353 0.3101673 -3.4251316 0.8478111 -0.5224402 0.9012051 -2.2719417 2 O -2.1687186 -0.2855830 -0.4806353 -0.3101673 -3.4251316 -0.8478111 -0.5224402 -0.9012051 -2.2719417 3 O -2.1687186 0.2855830 -0.4806353 0.3101673 -3.4251316 0.8478111 -0.5224402 0.9012051 -2.2719417 4 O -2.1687186 -0.2855830 -0.4806353 -0.3101673 -3.4251316 -0.8478111 -0.5224402 -0.9012051 -2.2719417 5 O -2.7630914 -0.4642823 0.7830930 -0.4166690 -2.3215610 -0.5081692 0.7026651 -0.4996537 -2.8585255 6 O -2.7630914 0.4642823 0.7830930 0.4166690 -2.3215610 0.5081692 0.7026651 0.4996537 -2.8585255 7 O -2.7630914 -0.4642823 0.7830930 -0.4166690 -2.3215610 -0.5081692 0.7026651 -0.4996537 -2.8585255 8 O -2.7630914 0.4642823 0.7830930 0.4166690 -2.3215610 0.5081692 0.7026651 0.4996537 -2.8585255 9 O -3.1659881 0.2198354 -0.4129242 0.2045439 -2.1575743 0.2458502 -0.5073992 0.0849948 -2.2869878 10 O -3.1659881 -0.2198354 -0.4129242 -0.2045439 -2.1575743 -0.2458502 -0.5073992 -0.0849948 -2.2869878 11 O -3.1659881 0.2198354 -0.4129242 0.2045439 -2.1575743 0.2458502 -0.5073992 0.0849948 -2.2869878 12 O -3.1659881 -0.2198354 -0.4129242 -0.2045439 -2.1575743 -0.2458502 -0.5073992 -0.0849948 -2.2869878 13 Na 1.1234561 0.0656607 -0.0720631 -0.0225755 1.1892452 0.0453088 0.0439292 0.0527900 1.1493653 14 Na 1.1234561 -0.0656607 -0.0720631 0.0225755 1.1892452 -0.0453088 0.0439292 -0.0527900 1.1493653 15 La 4.4737551 -0.2977687 0.3332821 -0.1308406 4.4422409 -0.0321053 -0.1262592 -0.4690108 3.8776230 16 La 4.4737551 0.2977687 0.3332821 0.1308406 4.4422409 0.0321053 -0.1262592 0.4690108 3.8776230 17 La 4.4737551 0.2977687 0.3332821 0.1308406 4.4422409 0.0321053 -0.1262592 0.4690108 3.8776230 18 La 4.4737551 -0.2977687 0.3332821 -0.1308406 4.4422409 -0.0321053 -0.1262592 -0.4690108 3.8776230 19 Ta 6.1246299 0.1216167 -0.3735678 0.8933627 5.7348068 -0.2703478 0.8629381 0.2567301 5.9302984 20 Ta 6.1246299 -0.1216167 -0.3735678 -0.8933627 5.7348068 0.2703478 0.8629381 -0.2567301 5.9302984 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000019 (yx) 0.00000019 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:13:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:13:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.657450140120273 0.000000000000000 0.000000000000000 b 0.000000000000000 5.960987229999999 0.000000000000000 c -5.507765574637320 0.000000000000000 8.131987204138889 Atomic positions (fractional): 1 O 0.25675509787957 0.27666030484600 0.42580635454278 15.999 2 O 0.74324490212043 0.77666030484600 0.07419364545722 15.999 3 O 0.74324490212043 0.72333969515400 0.57419364545722 15.999 4 O 0.25675509787957 0.22333969515401 0.92580635454278 15.999 5 O 0.39430049203780 0.94341967672072 0.27221939548690 15.999 6 O 0.60569950796220 0.44341967672071 0.22778060451310 15.999 7 O 0.60569950796220 0.05658032327928 0.72778060451310 15.999 8 O 0.39430049203780 0.55658032327928 0.77221939548690 15.999 9 O 0.16116855053068 0.67571661415064 0.94806437988307 15.999 10 O 0.83883144946932 0.17571661415064 0.55193562011693 15.999 11 O 0.83883144946932 0.32428338584936 0.05193562011693 15.999 12 O 0.16116855053068 0.82428338584936 0.44806437988307 15.999 13 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 14 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 15 La 0.22596891913108 0.93944729027392 0.74440865145717 138.905 16 La 0.77403108086892 0.43944729027392 0.75559134854283 138.905 17 La 0.22596891913108 0.56055270972608 0.24440865145717 138.905 18 La 0.77403108086892 0.06055270972608 0.25559134854283 138.905 19 Ta 0.50000000000000 0.50000000000000 0.00000000000000 180.948 20 Ta 0.50000000000000 0.00000000000000 0.50000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.314900280240545 0.000000000000000 0.000000000000000 b 0.000000000000000 11.921974459999998 0.000000000000000 c -5.507765574637320 0.000000000000000 8.131987204138889 Atomic positions (fractional): 1 O 0.12837754893979 0.13833015242300 0.42580635454278 15.999 > 1 2 O 0.62837754893979 0.13833015242300 0.42580635454278 15.999 > 1 3 O 0.12837754893979 0.63833015242300 0.42580635454278 15.999 > 1 4 O 0.62837754893979 0.63833015242300 0.42580635454278 15.999 > 1 5 O 0.37162245106022 0.38833015242300 0.07419364545722 15.999 > 5 6 O 0.87162245106022 0.38833015242300 0.07419364545722 15.999 > 5 7 O 0.37162245106022 0.88833015242300 0.07419364545722 15.999 > 5 8 O 0.87162245106022 0.88833015242300 0.07419364545722 15.999 > 5 9 O 0.37162245106022 0.36166984757700 0.57419364545722 15.999 > 9 10 O 0.87162245106022 0.36166984757700 0.57419364545722 15.999 > 9 11 O 0.37162245106022 0.86166984757700 0.57419364545722 15.999 > 9 12 O 0.87162245106022 0.86166984757700 0.57419364545722 15.999 > 9 13 O 0.12837754893979 0.11166984757700 0.92580635454278 15.999 > 13 14 O 0.62837754893979 0.11166984757700 0.92580635454278 15.999 > 13 15 O 0.12837754893979 0.61166984757700 0.92580635454278 15.999 > 13 16 O 0.62837754893979 0.61166984757700 0.92580635454278 15.999 > 13 17 O 0.19715024601890 0.47170983836036 0.27221939548690 15.999 > 17 18 O 0.69715024601890 0.47170983836036 0.27221939548690 15.999 > 17 19 O 0.19715024601890 0.97170983836036 0.27221939548690 15.999 > 17 20 O 0.69715024601890 0.97170983836036 0.27221939548690 15.999 > 17 21 O 0.30284975398110 0.22170983836036 0.22778060451310 15.999 > 21 22 O 0.80284975398110 0.22170983836036 0.22778060451310 15.999 > 21 23 O 0.30284975398110 0.72170983836036 0.22778060451310 15.999 > 21 24 O 0.80284975398110 0.72170983836036 0.22778060451310 15.999 > 21 25 O 0.30284975398110 0.02829016163964 0.72778060451310 15.999 > 25 26 O 0.80284975398110 0.02829016163964 0.72778060451310 15.999 > 25 27 O 0.30284975398110 0.52829016163964 0.72778060451310 15.999 > 25 28 O 0.80284975398110 0.52829016163964 0.72778060451310 15.999 > 25 29 O 0.19715024601890 0.27829016163964 0.77221939548690 15.999 > 29 30 O 0.69715024601890 0.27829016163964 0.77221939548690 15.999 > 29 31 O 0.19715024601890 0.77829016163964 0.77221939548690 15.999 > 29 32 O 0.69715024601890 0.77829016163964 0.77221939548690 15.999 > 29 33 O 0.08058427526534 0.33785830707532 0.94806437988307 15.999 > 33 34 O 0.58058427526534 0.33785830707532 0.94806437988307 15.999 > 33 35 O 0.08058427526534 0.83785830707532 0.94806437988307 15.999 > 33 36 O 0.58058427526534 0.83785830707532 0.94806437988307 15.999 > 33 37 O 0.41941572473466 0.08785830707532 0.55193562011693 15.999 > 37 38 O 0.91941572473466 0.08785830707532 0.55193562011693 15.999 > 37 39 O 0.41941572473466 0.58785830707532 0.55193562011693 15.999 > 37 40 O 0.91941572473466 0.58785830707532 0.55193562011693 15.999 > 37 41 O 0.41941572473466 0.16214169292468 0.05193562011693 15.999 > 41 42 O 0.91941572473466 0.16214169292468 0.05193562011693 15.999 > 41 43 O 0.41941572473466 0.66214169292468 0.05193562011693 15.999 > 41 44 O 0.91941572473466 0.66214169292468 0.05193562011693 15.999 > 41 45 O 0.08058427526534 0.41214169292468 0.44806437988307 15.999 > 45 46 O 0.58058427526534 0.41214169292468 0.44806437988307 15.999 > 45 47 O 0.08058427526534 0.91214169292468 0.44806437988307 15.999 > 45 48 O 0.58058427526534 0.91214169292468 0.44806437988307 15.999 > 45 49 Na 0.00000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 51 Na 0.00000000000000 0.75000000000000 0.50000000000000 22.990 > 49 52 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 53 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 53 54 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 53 55 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 53 56 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 53 57 La 0.11298445956554 0.46972364513696 0.74440865145717 138.905 > 57 58 La 0.61298445956554 0.46972364513696 0.74440865145717 138.905 > 57 59 La 0.11298445956554 0.96972364513696 0.74440865145717 138.905 > 57 60 La 0.61298445956554 0.96972364513696 0.74440865145717 138.905 > 57 61 La 0.38701554043446 0.21972364513696 0.75559134854283 138.905 > 61 62 La 0.88701554043446 0.21972364513696 0.75559134854283 138.905 > 61 63 La 0.38701554043446 0.71972364513696 0.75559134854283 138.905 > 61 64 La 0.88701554043446 0.71972364513696 0.75559134854283 138.905 > 61 65 La 0.11298445956554 0.28027635486304 0.24440865145717 138.905 > 65 66 La 0.61298445956554 0.28027635486304 0.24440865145717 138.905 > 65 67 La 0.11298445956554 0.78027635486304 0.24440865145717 138.905 > 65 68 La 0.61298445956554 0.78027635486304 0.24440865145717 138.905 > 65 69 La 0.38701554043446 0.03027635486304 0.25559134854283 138.905 > 69 70 La 0.88701554043446 0.03027635486304 0.25559134854283 138.905 > 69 71 La 0.38701554043446 0.53027635486304 0.25559134854283 138.905 > 69 72 La 0.88701554043446 0.53027635486304 0.25559134854283 138.905 > 69 73 Ta 0.25000000000000 0.25000000000000 0.00000000000000 180.948 > 73 74 Ta 0.75000000000000 0.25000000000000 0.00000000000000 180.948 > 73 75 Ta 0.25000000000000 0.75000000000000 0.00000000000000 180.948 > 73 76 Ta 0.75000000000000 0.75000000000000 0.00000000000000 180.948 > 73 77 Ta 0.25000000000000 0.00000000000000 0.50000000000000 180.948 > 77 78 Ta 0.75000000000000 0.00000000000000 0.50000000000000 180.948 > 77 79 Ta 0.25000000000000 0.50000000000000 0.50000000000000 180.948 > 77 80 Ta 0.75000000000000 0.50000000000000 0.50000000000000 180.948 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6303531 0.0000000 0.1176060 0.0000000 4.5752067 0.0000000 0.1178822 0.0000000 4.4083885 -------------------------- Born effective charges -------------------------- 1 O -2.1687186 0.2855830 -0.4806353 0.3101673 -3.4251316 0.8478111 -0.5224402 0.9012051 -2.2719417 2 O -2.1687186 -0.2855830 -0.4806353 -0.3101673 -3.4251316 -0.8478111 -0.5224402 -0.9012051 -2.2719417 3 O -2.1687186 0.2855830 -0.4806353 0.3101673 -3.4251316 0.8478111 -0.5224402 0.9012051 -2.2719417 4 O -2.1687186 -0.2855830 -0.4806353 -0.3101673 -3.4251316 -0.8478111 -0.5224402 -0.9012051 -2.2719417 5 O -2.7630914 -0.4642823 0.7830930 -0.4166690 -2.3215610 -0.5081692 0.7026651 -0.4996537 -2.8585255 6 O -2.7630914 0.4642823 0.7830930 0.4166690 -2.3215610 0.5081692 0.7026651 0.4996537 -2.8585255 7 O -2.7630914 -0.4642823 0.7830930 -0.4166690 -2.3215610 -0.5081692 0.7026651 -0.4996537 -2.8585255 8 O -2.7630914 0.4642823 0.7830930 0.4166690 -2.3215610 0.5081692 0.7026651 0.4996537 -2.8585255 9 O -3.1659881 0.2198354 -0.4129242 0.2045439 -2.1575743 0.2458502 -0.5073992 0.0849948 -2.2869878 10 O -3.1659881 -0.2198354 -0.4129242 -0.2045439 -2.1575743 -0.2458502 -0.5073992 -0.0849948 -2.2869878 11 O -3.1659881 0.2198354 -0.4129242 0.2045439 -2.1575743 0.2458502 -0.5073992 0.0849948 -2.2869878 12 O -3.1659881 -0.2198354 -0.4129242 -0.2045439 -2.1575743 -0.2458502 -0.5073992 -0.0849948 -2.2869878 13 Na 1.1234561 0.0656607 -0.0720631 -0.0225755 1.1892452 0.0453088 0.0439292 0.0527900 1.1493653 14 Na 1.1234561 -0.0656607 -0.0720631 0.0225755 1.1892452 -0.0453088 0.0439292 -0.0527900 1.1493653 15 La 4.4737551 -0.2977687 0.3332821 -0.1308406 4.4422409 -0.0321053 -0.1262592 -0.4690108 3.8776230 16 La 4.4737551 0.2977687 0.3332821 0.1308406 4.4422409 0.0321053 -0.1262592 0.4690108 3.8776230 17 La 4.4737551 0.2977687 0.3332821 0.1308406 4.4422409 0.0321053 -0.1262592 0.4690108 3.8776230 18 La 4.4737551 -0.2977687 0.3332821 -0.1308406 4.4422409 -0.0321053 -0.1262592 -0.4690108 3.8776230 19 Ta 6.1246299 0.1216167 -0.3735678 0.8933627 5.7348068 -0.2703478 0.8629381 0.2567301 5.9302984 20 Ta 6.1246299 -0.1216167 -0.3735678 -0.8933627 5.7348068 0.2703478 0.8629381 -0.2567301 5.9302984 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.865 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.779 ( 0.000 0.000 0.000) 0.000 12.021 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.660 ( 0.000 0.000 0.000) 0.000 13.240 ( 0.000 0.000 0.000) 0.000 14.350 ( 0.000 0.000 0.000) 0.000 14.808 ( 0.000 0.000 0.000) 0.000 14.995 ( 0.000 0.000 0.000) 0.000 15.435 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 15.913 ( 0.000 0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 16.591 ( 0.000 0.000 0.000) 0.000 16.899 ( 0.000 0.000 0.000) 0.000 17.323 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 21.666 ( 0.000 0.000 0.000) 0.000 21.778 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 18.518 0.000 16.632) 24.890 0.535 ( 24.203 0.000 12.066) 27.044 1.033 ( 43.045 0.000 26.979) 50.800 1.869 ( 10.397 0.000 1.194) 10.465 2.516 ( -2.151 0.000 -4.380) 4.880 2.594 ( -1.386 0.000 -4.897) 5.090 2.714 ( -3.742 0.000 3.344) 5.018 2.823 ( 0.051 0.000 -0.299) 0.303 3.113 ( -14.985 0.000 15.324) 21.433 3.327 ( 0.579 0.000 2.786) 2.846 3.444 ( -19.372 0.000 -11.051) 22.302 3.455 ( 10.776 0.000 -5.564) 12.128 4.053 ( 4.443 0.000 13.593) 14.301 4.201 ( -0.203 0.000 0.123) 0.237 4.353 ( 2.725 0.000 -6.373) 6.931 4.544 ( -2.052 0.000 -3.849) 4.362 4.695 ( 2.547 0.000 2.810) 3.793 5.098 ( -2.897 0.000 -16.950) 17.196 5.246 ( -12.694 0.000 -0.111) 12.694 5.817 ( 12.741 0.000 3.818) 13.301 5.952 ( -9.503 0.000 -1.661) 9.647 6.195 ( 5.937 0.000 -4.282) 7.320 6.241 ( 5.304 0.000 -1.898) 5.633 6.821 ( 1.651 0.000 -4.121) 4.440 7.065 ( 3.408 0.000 2.352) 4.141 7.196 ( -3.696 0.000 -2.407) 4.411 7.423 ( 1.768 0.000 -3.304) 3.747 7.491 ( -1.010 0.000 1.436) 1.756 7.658 ( -6.313 0.000 2.872) 6.935 7.889 ( 2.536 0.000 -3.683) 4.472 7.937 ( -18.797 0.000 -1.077) 18.828 8.119 ( 8.224 0.000 3.860) 9.084 8.294 ( -2.665 0.000 2.919) 3.953 8.397 ( -1.431 0.000 -0.651) 1.572 8.648 ( 1.236 0.000 5.272) 5.415 8.900 ( 2.864 0.000 4.012) 4.929 9.651 ( 4.096 0.000 4.079) 5.781 9.985 ( -4.526 0.000 9.504) 10.527 10.960 ( 1.175 0.000 -6.106) 6.218 11.029 ( 0.943 0.000 -1.730) 1.971 11.744 ( -6.288 0.000 2.481) 6.760 11.906 ( -9.596 0.000 -7.286) 12.049 12.266 ( -17.568 0.000 -4.068) 18.033 12.466 ( -17.410 0.000 3.514) 17.761 12.880 ( 11.440 0.000 0.736) 11.463 13.346 ( 8.512 0.000 0.173) 8.513 13.969 ( 9.674 0.000 -7.401) 12.180 14.313 ( -5.233 0.000 2.305) 5.718 14.878 ( 6.893 0.000 1.276) 7.010 14.986 ( -3.387 0.000 2.139) 4.006 15.508 ( 6.587 0.000 -13.149) 14.706 15.787 ( 4.506 0.000 3.456) 5.678 15.975 ( 4.969 0.000 4.008) 6.384 16.636 ( 1.928 0.000 5.396) 5.730 16.850 ( -1.929 0.000 -8.573) 8.788 17.145 ( -2.782 0.000 -16.365) 16.600 17.814 ( 1.925 0.000 17.480) 17.586 19.474 ( 3.787 0.000 -16.793) 17.215 21.689 ( 0.724 0.000 2.885) 2.975 21.786 ( -0.480 0.000 2.093) 2.148 ======================= Grid point 2 (3/170) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 16.127 0.000 14.087) 21.413 1.025 ( 21.108 0.000 10.417) 23.539 1.890 ( 29.352 0.000 16.951) 33.895 2.077 ( 14.286 0.000 -2.655) 14.531 2.403 ( -2.981 0.000 -8.006) 8.543 2.495 ( -3.911 0.000 -4.499) 5.962 2.684 ( -5.194 0.000 4.518) 6.884 2.752 ( -8.491 0.000 3.870) 9.331 3.007 ( -18.960 0.000 -8.489) 20.774 3.137 ( -1.219 0.000 12.815) 12.873 3.395 ( 2.273 0.000 4.788) 5.300 3.588 ( 10.031 0.000 -0.007) 10.031 4.163 ( -6.191 0.000 -15.856) 17.022 4.192 ( -0.207 0.000 -1.513) 1.528 4.274 ( 1.238 0.000 13.569) 13.625 4.563 ( 3.531 0.000 1.954) 4.035 4.765 ( 1.266 0.000 2.437) 2.746 4.807 ( -10.494 0.000 -13.394) 17.016 5.072 ( -9.654 0.000 1.289) 9.740 5.754 ( -12.294 0.000 -1.637) 12.403 5.948 ( 3.461 0.000 -3.201) 4.715 6.287 ( 4.346 0.000 -3.941) 5.867 6.310 ( 11.904 0.000 -3.860) 12.514 6.810 ( 2.044 0.000 -3.525) 4.075 7.130 ( -3.876 0.000 8.152) 9.027 7.140 ( -1.475 0.000 2.288) 2.722 7.411 ( -0.714 0.000 -1.276) 1.462 7.486 ( -1.975 0.000 1.940) 2.769 7.570 ( -7.813 0.000 3.214) 8.448 7.622 ( -13.211 0.000 -4.974) 14.117 7.922 ( 4.188 0.000 -1.898) 4.598 8.243 ( 1.093 0.000 -3.667) 3.826 8.306 ( 1.413 0.000 8.718) 8.832 8.341 ( -3.170 0.000 -4.735) 5.698 8.672 ( -2.214 0.000 1.433) 2.638 8.997 ( 4.209 0.000 2.380) 4.835 9.818 ( 9.215 0.000 6.066) 11.032 10.038 ( 2.074 0.000 3.778) 4.310 10.878 ( -0.852 0.000 -9.433) 9.471 11.006 ( 0.809 0.000 -7.044) 7.090 11.598 ( -18.050 0.000 -3.388) 18.365 11.625 ( -13.115 0.000 5.379) 14.175 12.007 ( -8.165 0.000 -3.967) 9.077 12.262 ( -11.061 0.000 1.449) 11.156 12.991 ( 4.066 0.000 -3.178) 5.160 13.421 ( 3.104 0.000 -4.113) 5.153 14.075 ( 6.691 0.000 1.952) 6.970 14.266 ( -4.579 0.000 4.677) 6.545 14.937 ( 0.512 0.000 -6.951) 6.970 15.019 ( 7.445 0.000 1.996) 7.708 15.498 ( 5.396 0.000 -6.263) 8.267 15.899 ( 4.518 0.000 3.180) 5.525 16.152 ( 8.212 0.000 7.918) 11.408 16.600 ( -6.394 0.000 -21.562) 22.490 16.765 ( 4.427 0.000 8.481) 9.567 17.025 ( 4.077 0.000 -8.424) 9.359 18.010 ( -1.781 0.000 16.924) 17.017 19.305 ( -5.137 0.000 -11.509) 12.603 21.742 ( 0.635 0.000 4.452) 4.498 21.804 ( -0.921 0.000 3.081) 3.215 ======================= Grid point 3 (4/170) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 13.939 0.000 11.931) 18.348 1.421 ( 15.187 0.000 7.712) 17.033 2.133 ( -4.571 0.000 -2.653) 5.285 2.195 ( 7.627 0.000 -10.577) 13.040 2.326 ( 1.419 0.000 -5.652) 5.827 2.378 ( -5.343 0.000 -3.291) 6.275 2.652 ( -2.140 0.000 2.987) 3.675 2.753 ( -0.600 0.000 7.445) 7.469 2.767 ( -6.374 0.000 3.780) 7.411 3.262 ( -4.185 0.000 4.626) 6.238 3.513 ( 7.188 0.000 9.523) 11.931 3.791 ( 11.364 0.000 4.253) 12.134 3.822 ( -10.419 0.000 -18.439) 21.179 4.179 ( 2.378 0.000 0.647) 2.465 4.428 ( -1.541 0.000 10.518) 10.630 4.562 ( -4.070 0.000 -6.626) 7.776 4.618 ( -2.029 0.000 3.257) 3.837 4.740 ( -4.141 0.000 -1.757) 4.498 4.984 ( -2.455 0.000 0.814) 2.586 5.538 ( -12.505 0.000 -0.738) 12.527 5.943 ( 3.131 0.000 -4.363) 5.370 6.297 ( 3.034 0.000 -5.043) 5.885 6.394 ( 5.009 0.000 -6.564) 8.257 6.792 ( -0.443 0.000 -3.397) 3.426 7.094 ( -8.332 0.000 5.413) 9.936 7.206 ( -0.310 0.000 8.603) 8.609 7.313 ( -6.973 0.000 -2.869) 7.540 7.464 ( -4.553 0.000 2.754) 5.321 7.512 ( -2.577 0.000 4.925) 5.558 7.514 ( -0.209 0.000 1.835) 1.847 7.966 ( 3.807 0.000 -1.784) 4.205 8.173 ( -3.434 0.000 -2.608) 4.312 8.186 ( -6.865 0.000 -7.972) 10.521 8.422 ( 3.543 0.000 2.670) 4.437 8.619 ( -4.148 0.000 -1.048) 4.278 9.088 ( 4.450 0.000 1.372) 4.657 10.025 ( 8.912 0.000 0.685) 8.938 10.121 ( 4.480 0.000 1.010) 4.593 10.765 ( -1.558 0.000 -3.533) 3.861 10.849 ( -6.670 0.000 -12.636) 14.288 11.376 ( -9.946 0.000 5.952) 11.591 11.497 ( -9.287 0.000 5.736) 10.916 11.907 ( -1.552 0.000 -0.598) 1.663 12.131 ( -5.690 0.000 -1.072) 5.790 12.949 ( -1.659 0.000 -7.521) 7.702 13.370 ( -2.592 0.000 -4.939) 5.578 14.212 ( 5.137 0.000 5.270) 7.359 14.282 ( -1.183 0.000 6.927) 7.027 14.857 ( 1.306 0.000 -10.051) 10.135 15.135 ( 4.334 0.000 1.178) 4.491 15.532 ( 4.556 0.000 -3.060) 5.489 15.995 ( 3.878 0.000 1.853) 4.298 16.183 ( -7.014 0.000 -18.556) 19.837 16.471 ( 10.021 0.000 8.240) 12.974 16.952 ( 6.851 0.000 8.701) 11.074 17.050 ( 9.533 0.000 -7.542) 12.156 18.102 ( -7.585 0.000 13.019) 15.067 19.074 ( -8.960 0.000 -9.300) 12.914 21.797 ( 0.034 0.000 4.419) 4.419 21.820 ( -1.107 0.000 2.786) 2.998 ======================= Grid point 4 (5/170) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 6.468 0.000 5.708) 8.627 1.666 ( 13.139 0.000 10.980) 17.123 2.030 ( -0.826 0.000 -4.566) 4.640 2.095 ( -1.946 0.000 -11.081) 11.251 2.262 ( -1.687 0.000 -2.575) 3.078 2.349 ( 2.830 0.000 2.057) 3.499 2.710 ( 0.012 0.000 5.436) 5.436 2.772 ( 1.857 0.000 2.433) 3.061 2.773 ( -2.323 0.000 -0.984) 2.523 3.022 ( -19.513 0.000 -3.988) 19.916 3.472 ( -9.143 0.000 -14.710) 17.319 3.778 ( 7.378 0.000 10.765) 13.051 3.964 ( 7.894 0.000 -1.731) 8.082 4.281 ( -17.717 0.000 -7.066) 19.074 4.375 ( 10.475 0.000 7.945) 13.147 4.543 ( 5.888 0.000 2.145) 6.266 4.651 ( 2.108 0.000 4.160) 4.664 4.673 ( -4.808 0.000 2.204) 5.289 4.989 ( 1.903 0.000 -0.190) 1.913 5.345 ( -10.559 0.000 -0.589) 10.576 5.977 ( 4.361 0.000 -0.960) 4.466 6.279 ( 1.647 0.000 -4.738) 5.016 6.364 ( 0.861 0.000 -5.707) 5.771 6.715 ( -3.768 0.000 -2.745) 4.662 7.057 ( -1.916 0.000 3.444) 3.941 7.188 ( -6.438 0.000 0.409) 6.451 7.222 ( -7.007 0.000 5.878) 9.147 7.414 ( -4.375 0.000 1.943) 4.787 7.516 ( -3.119 0.000 -0.219) 3.127 7.608 ( 2.347 0.000 8.746) 9.055 7.997 ( -4.578 0.000 -6.631) 8.058 8.009 ( 3.630 0.000 -1.835) 4.067 8.109 ( 0.041 0.000 -2.292) 2.292 8.466 ( 1.131 0.000 -1.513) 1.888 8.537 ( -3.404 0.000 -1.824) 3.862 9.159 ( 2.825 0.000 0.461) 2.862 10.050 ( 0.185 0.000 -7.114) 7.117 10.180 ( 3.192 0.000 -2.840) 4.273 10.614 ( -7.472 0.000 -5.266) 9.142 10.821 ( 5.859 0.000 5.166) 7.811 11.349 ( -2.787 0.000 4.896) 5.633 11.433 ( -5.947 0.000 3.164) 6.736 11.960 ( 4.382 0.000 7.073) 8.321 12.055 ( -2.031 0.000 -1.436) 2.487 12.789 ( -5.228 0.000 -11.116) 12.284 13.257 ( -4.398 0.000 -4.195) 6.078 14.345 ( 3.184 0.000 6.525) 7.260 14.367 ( 1.394 0.000 7.254) 7.387 14.769 ( 1.207 0.000 -9.497) 9.573 15.183 ( 1.264 0.000 -0.217) 1.283 15.566 ( 2.624 0.000 -1.613) 3.081 15.863 ( -6.220 0.000 -16.710) 17.830 16.062 ( 2.696 0.000 0.749) 2.798 16.754 ( 7.246 0.000 12.637) 14.567 17.157 ( 7.472 0.000 6.701) 10.037 17.175 ( 16.516 0.000 -6.711) 17.827 18.039 ( -13.885 0.000 7.096) 15.593 18.835 ( -9.173 0.000 -6.747) 11.386 21.829 ( -0.860 0.000 1.779) 1.976 21.836 ( -0.349 0.000 3.148) 3.168 ======================= Grid point 5 (6/170) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 4.519 0.000 4.957) 6.707 1.957 ( 7.799 0.000 5.274) 9.415 1.981 ( -0.421 0.000 -2.602) 2.636 1.989 ( 0.030 0.000 -2.227) 2.227 2.215 ( -2.208 0.000 -2.782) 3.551 2.443 ( 3.331 0.000 2.936) 4.440 2.627 ( -5.826 0.000 -6.315) 8.591 2.643 ( -6.405 0.000 -2.328) 6.815 2.796 ( -5.900 0.000 2.271) 6.323 2.919 ( 7.219 0.000 3.647) 8.088 3.259 ( -3.289 0.000 -4.726) 5.758 3.904 ( -12.617 0.000 -8.033) 14.957 3.952 ( 1.204 0.000 8.306) 8.392 4.023 ( 4.193 0.000 -5.309) 6.765 4.494 ( 1.723 0.000 1.182) 2.090 4.624 ( -2.359 0.000 0.822) 2.498 4.717 ( 1.009 0.000 1.796) 2.060 4.778 ( 9.297 0.000 5.565) 10.835 5.017 ( 1.153 0.000 -0.090) 1.156 5.190 ( -6.529 0.000 -1.298) 6.657 6.035 ( 2.259 0.000 0.334) 2.284 6.256 ( 0.383 0.000 -2.039) 2.074 6.324 ( -0.036 0.000 -2.140) 2.140 6.654 ( -1.237 0.000 -0.602) 1.376 7.039 ( -1.562 0.000 -1.594) 2.232 7.168 ( -3.819 0.000 2.123) 4.370 7.179 ( -0.020 0.000 7.018) 7.018 7.376 ( -1.717 0.000 0.550) 1.803 7.399 ( -4.709 0.000 -5.776) 7.453 7.701 ( 0.121 0.000 3.948) 3.950 7.924 ( -0.329 0.000 -1.185) 1.230 8.016 ( 0.602 0.000 -1.813) 1.910 8.148 ( 3.064 0.000 1.293) 3.325 8.440 ( -0.565 0.000 -2.341) 2.408 8.483 ( -1.248 0.000 -0.820) 1.493 9.187 ( 0.745 0.000 -0.124) 0.755 9.971 ( -0.977 0.000 -3.351) 3.490 10.164 ( 0.141 0.000 -2.710) 2.714 10.523 ( -1.727 0.000 0.157) 1.734 10.965 ( 4.426 0.000 2.569) 5.117 11.360 ( -0.649 0.000 1.653) 1.776 11.366 ( -3.771 0.000 0.477) 3.801 12.029 ( -0.219 0.000 -0.542) 0.585 12.174 ( 7.034 0.000 10.972) 13.033 12.560 ( -6.296 0.000 -11.287) 12.924 13.166 ( -2.148 0.000 -1.732) 2.759 14.442 ( 1.003 0.000 3.978) 4.103 14.454 ( 1.113 0.000 3.494) 3.667 14.700 ( 0.573 0.000 -4.896) 4.929 15.185 ( 0.053 0.000 -0.507) 0.510 15.581 ( 0.782 0.000 -0.565) 0.965 15.659 ( -2.508 0.000 -6.561) 7.024 16.097 ( 0.966 0.000 0.173) 0.981 16.918 ( 1.483 0.000 4.608) 4.841 17.307 ( 3.670 0.000 2.686) 4.548 17.435 ( 18.585 0.000 -1.369) 18.635 17.828 ( -16.391 0.000 1.727) 16.482 18.666 ( -4.290 0.000 -2.684) 5.061 21.833 ( -0.311 0.000 0.596) 0.672 21.855 ( -0.203 0.000 1.132) 1.150 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 0.000 26.645 0.000) 26.645 0.656 ( 0.000 30.467 0.000) 30.467 1.029 ( 0.000 47.235 0.000) 47.235 1.806 ( 0.000 -0.436 0.000) 0.436 2.498 ( 0.000 -4.480 0.000) 4.480 2.623 ( 0.000 -1.549 0.000) 1.549 2.778 ( 0.000 -2.391 0.000) 2.391 2.787 ( 0.000 5.456 0.000) 5.456 3.168 ( 0.000 -11.056 0.000) 11.056 3.275 ( 0.000 7.389 0.000) 7.389 3.388 ( 0.000 0.954 0.000) 0.954 3.768 ( 0.000 -4.719 0.000) 4.719 3.848 ( 0.000 2.370 0.000) 2.370 4.179 ( 0.000 -0.883 0.000) 0.883 4.399 ( 0.000 2.690 0.000) 2.690 4.472 ( 0.000 3.929 0.000) 3.929 4.520 ( 0.000 -9.961 0.000) 9.961 5.014 ( 0.000 -5.191 0.000) 5.191 5.427 ( 0.000 -0.359 0.000) 0.359 5.933 ( 0.000 -9.151 0.000) 9.151 6.157 ( 0.000 0.601 0.000) 0.601 6.194 ( 0.000 0.859 0.000) 0.859 6.361 ( 0.000 5.801 0.000) 5.801 6.723 ( 0.000 -8.436 0.000) 8.436 6.790 ( 0.000 -5.813 0.000) 5.813 7.137 ( 0.000 -0.204 0.000) 0.204 7.327 ( 0.000 3.902 0.000) 3.902 7.496 ( 0.000 -0.660 0.000) 0.660 7.578 ( 0.000 -0.509 0.000) 0.509 7.793 ( 0.000 5.271 0.000) 5.271 7.953 ( 0.000 1.327 0.000) 1.327 8.352 ( 0.000 9.721 0.000) 9.721 8.442 ( 0.000 3.679 0.000) 3.679 8.510 ( 0.000 -3.475 0.000) 3.475 8.847 ( 0.000 0.054 0.000) 0.054 9.048 ( 0.000 2.029 0.000) 2.029 9.696 ( 0.000 8.310 0.000) 8.310 9.966 ( 0.000 -1.318 0.000) 1.318 10.042 ( 0.000 0.240 0.000) 0.240 10.905 ( 0.000 -11.234 0.000) 11.234 11.754 ( 0.000 -2.227 0.000) 2.227 11.978 ( 0.000 -3.904 0.000) 3.904 12.419 ( 0.000 -7.196 0.000) 7.196 12.426 ( 0.000 -10.550 0.000) 10.550 12.808 ( 0.000 10.296 0.000) 10.296 13.280 ( 0.000 2.442 0.000) 2.442 13.348 ( 0.000 8.241 0.000) 8.241 14.250 ( 0.000 -8.586 0.000) 8.586 14.976 ( 0.000 -1.768 0.000) 1.768 15.565 ( 0.000 11.134 0.000) 11.134 15.628 ( 0.000 -6.793 0.000) 6.793 15.814 ( 0.000 0.397 0.000) 0.397 16.156 ( 0.000 -8.315 0.000) 8.315 16.586 ( 0.000 0.248 0.000) 0.248 17.094 ( 0.000 14.665 0.000) 14.665 17.240 ( 0.000 3.248 0.000) 3.248 17.629 ( 0.000 -1.651 0.000) 1.651 19.354 ( 0.000 -9.365 0.000) 9.365 21.693 ( 0.000 2.306 0.000) 2.306 21.776 ( 0.000 -0.219 0.000) 0.219 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 13.614 20.919 10.182) 26.956 0.841 ( 16.028 21.465 5.743) 27.398 1.377 ( 25.932 29.799 15.946) 42.600 1.883 ( 9.679 0.889 1.584) 9.848 2.449 ( -3.260 -5.295 -4.049) 7.421 2.592 ( -1.034 -0.988 -4.065) 4.309 2.701 ( -5.392 -4.779 1.183) 7.301 2.819 ( -0.099 5.645 3.540) 6.664 3.110 ( -7.620 -4.084 2.611) 9.031 3.237 ( -8.548 -1.960 8.123) 11.953 3.427 ( -1.400 -2.358 -6.804) 7.336 3.506 ( -3.754 4.302 -7.131) 9.135 4.044 ( 4.915 -2.064 9.941) 11.280 4.162 ( -2.309 -2.796 0.069) 3.627 4.336 ( -0.651 -3.611 -6.426) 7.400 4.510 ( -0.403 -3.328 1.205) 3.562 4.573 ( 5.601 1.984 1.246) 6.071 5.063 ( 2.784 -4.880 -4.718) 7.337 5.354 ( -9.723 1.453 -2.534) 10.152 5.850 ( -7.615 -7.300 -1.841) 10.708 5.978 ( -3.371 7.613 -5.095) 9.761 6.249 ( 2.802 1.670 -2.103) 3.881 6.308 ( 5.343 7.355 -1.699) 9.248 6.735 ( 1.592 -7.036 1.124) 7.301 6.939 ( 9.616 -14.044 -6.106) 18.082 7.133 ( -1.801 0.406 2.684) 3.258 7.313 ( -4.068 -0.527 0.307) 4.113 7.497 ( -1.269 -0.562 1.822) 2.290 7.626 ( -1.494 -3.780 3.553) 5.399 7.814 ( 0.159 5.595 2.491) 6.127 7.973 ( 2.220 0.142 -0.317) 2.247 8.282 ( -2.443 6.626 -5.396) 8.887 8.387 ( -8.293 -0.092 -1.416) 8.414 8.469 ( 0.023 7.939 1.133) 8.019 8.853 ( -1.443 6.706 -1.443) 7.010 8.929 ( -1.986 8.408 4.568) 9.773 9.683 ( 4.081 3.596 3.746) 6.605 10.009 ( -2.539 1.992 6.061) 6.866 10.547 ( 24.158 -20.537 3.072) 31.856 10.910 ( 0.726 -11.582 0.071) 11.605 11.701 ( -6.394 -2.259 1.458) 6.937 11.944 ( -2.397 -1.334 -7.869) 8.334 12.166 ( -13.571 -3.930 -8.515) 16.496 12.374 ( -14.688 -8.172 6.913) 18.174 12.955 ( 8.936 6.134 0.661) 10.859 13.382 ( 4.224 -2.928 11.611) 12.698 13.501 ( 15.446 -2.969 -2.429) 15.915 14.243 ( -0.572 -8.814 -0.068) 8.833 14.969 ( 1.884 -1.277 -4.147) 4.731 15.528 ( -13.491 17.480 2.374) 22.208 15.597 ( 5.300 1.354 -13.287) 14.369 15.761 ( -0.835 4.375 1.709) 4.771 16.031 ( 0.569 1.321 -1.337) 1.964 16.615 ( -0.023 -1.467 4.839) 5.057 16.892 ( -6.003 6.847 -4.491) 10.153 17.126 ( -1.416 4.204 -18.413) 18.940 17.784 ( 2.067 -2.575 16.625) 16.950 19.399 ( 3.584 -8.275 -7.213) 11.548 21.711 ( 0.394 1.880 2.522) 3.170 21.786 ( -0.404 -0.111 2.279) 2.317 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 14.720 13.172 11.660) 22.938 1.172 ( 14.369 16.323 7.910) 23.141 1.942 ( 22.720 4.996 5.411) 23.884 2.116 ( 13.856 2.389 1.798) 14.175 2.341 ( -2.072 -2.536 -5.648) 6.529 2.507 ( -3.518 0.068 -3.971) 5.306 2.622 ( -6.540 -7.287 1.443) 9.897 2.823 ( -3.537 6.768 0.995) 7.701 3.007 ( -15.683 -1.392 -3.912) 16.224 3.090 ( -3.276 -1.321 12.760) 13.240 3.368 ( 0.250 -2.692 6.488) 7.029 3.575 ( 9.207 0.282 -1.895) 9.404 4.012 ( -3.871 -9.695 -11.677) 15.663 4.191 ( -2.586 -3.440 -1.964) 4.730 4.311 ( 0.150 2.887 12.141) 12.480 4.528 ( -0.343 -3.360 1.306) 3.621 4.671 ( 4.134 2.894 0.949) 5.134 4.967 ( -4.537 1.195 -8.785) 9.959 5.107 ( -13.015 3.786 -1.583) 13.646 5.692 ( -9.564 -5.205 -1.550) 10.998 5.959 ( 1.655 0.852 -2.289) 2.951 6.239 ( 2.496 -0.204 -5.775) 6.295 6.426 ( 8.719 5.157 -1.995) 10.325 6.779 ( 2.145 -2.773 -0.468) 3.537 7.007 ( 5.139 -14.345 2.360) 15.420 7.130 ( -7.842 0.954 5.217) 9.467 7.227 ( -0.709 -3.189 -3.509) 4.794 7.492 ( -2.352 -0.426 2.469) 3.436 7.582 ( -4.923 -0.166 0.266) 4.933 7.805 ( -6.221 9.417 1.958) 11.455 7.952 ( 0.413 2.275 -3.224) 3.968 8.248 ( -4.448 -3.172 2.284) 5.922 8.299 ( 3.903 4.443 -4.372) 7.355 8.464 ( -2.398 9.090 1.668) 9.548 8.799 ( -4.118 9.734 -0.467) 10.579 8.993 ( 4.029 -0.157 1.099) 4.179 9.864 ( 10.312 4.334 6.708) 13.043 10.054 ( 2.847 1.280 1.631) 3.522 10.709 ( 3.862 -9.514 -8.225) 13.156 10.945 ( 3.509 -10.573 -0.535) 11.153 11.558 ( -17.518 1.340 2.960) 17.817 11.708 ( -12.274 3.058 -4.401) 13.393 11.924 ( -4.813 -6.592 -7.149) 10.851 12.222 ( -10.472 -3.870 3.684) 11.757 13.038 ( 3.548 4.612 -3.480) 6.780 13.494 ( 1.164 4.888 0.150) 5.027 13.738 ( 9.484 -16.228 6.305) 19.825 14.242 ( 0.515 -8.438 0.373) 8.462 14.938 ( 0.397 0.080 -5.464) 5.479 15.304 ( -2.374 14.881 -8.503) 17.303 15.625 ( 4.285 11.640 -1.305) 12.472 15.812 ( 0.141 -3.918 3.707) 5.395 16.151 ( 8.692 -2.150 6.255) 10.922 16.631 ( -0.843 1.497 -8.712) 8.880 16.796 ( -0.724 0.920 -0.344) 1.220 16.976 ( 4.764 2.748 -8.673) 10.270 17.972 ( -1.751 -3.433 16.149) 16.602 19.284 ( -5.130 -3.806 -9.652) 11.574 21.752 ( 0.100 0.832 3.909) 3.997 21.808 ( -0.715 0.278 3.370) 3.457 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 9.750 10.254 8.028) 16.268 1.505 ( 13.134 7.244 7.285) 16.675 2.126 ( 3.619 -0.477 -7.173) 8.048 2.225 ( -1.946 -0.001 -1.639) 2.544 2.276 ( 4.401 0.505 -6.618) 7.964 2.392 ( -6.050 0.046 -3.280) 6.883 2.592 ( 0.163 -9.454 3.121) 9.957 2.763 ( -1.188 7.901 2.081) 8.257 2.842 ( -5.909 1.550 1.723) 6.347 3.220 ( -4.780 -2.086 6.939) 8.680 3.476 ( 5.406 -3.522 9.079) 11.138 3.693 ( 0.357 -6.429 -9.420) 11.410 3.823 ( 3.133 -1.146 -1.503) 3.659 4.159 ( 2.517 -1.964 2.253) 3.908 4.431 ( -1.602 0.886 6.267) 6.529 4.515 ( -1.867 -1.883 1.474) 3.034 4.637 ( -7.292 -2.447 -3.284) 8.363 4.795 ( -6.435 5.675 -2.746) 9.008 5.003 ( -0.727 1.469 0.865) 1.854 5.528 ( -9.686 -1.213 0.191) 9.763 5.945 ( 1.677 -0.042 -3.663) 4.029 6.215 ( 1.857 -3.874 -4.632) 6.317 6.492 ( 4.136 4.605 -5.452) 8.248 6.770 ( -0.948 -2.208 -3.316) 4.095 6.991 ( -9.294 -4.965 3.528) 11.111 7.182 ( 2.487 -5.476 4.050) 7.250 7.233 ( 4.680 -6.667 3.189) 8.748 7.451 ( -7.890 -1.147 3.890) 8.872 7.532 ( -1.670 7.952 2.338) 8.455 7.698 ( -6.217 10.275 -0.332) 12.014 7.949 ( 0.925 0.631 -1.239) 1.670 8.161 ( -3.801 -1.008 -2.030) 4.426 8.314 ( -0.122 5.642 -3.804) 6.806 8.464 ( 0.738 7.285 1.599) 7.495 8.697 ( -5.394 6.297 -3.288) 8.919 9.082 ( 5.299 -0.622 1.184) 5.465 10.104 ( 10.542 7.003 1.984) 12.810 10.127 ( 4.780 0.444 -0.255) 4.808 10.621 ( -1.816 -6.809 -5.625) 9.017 10.953 ( 1.332 0.058 -8.701) 8.802 11.272 ( -17.558 -2.102 7.983) 19.402 11.565 ( -7.542 1.780 2.947) 8.290 11.829 ( 0.105 -5.800 -3.486) 6.768 12.119 ( -5.332 -1.742 0.747) 5.659 12.997 ( -1.564 4.820 -6.494) 8.237 13.452 ( -3.323 6.559 -3.312) 8.064 13.932 ( 5.559 -16.223 7.896) 18.879 14.270 ( 2.038 -8.461 0.676) 8.729 14.866 ( -1.006 1.515 -6.158) 6.421 15.263 ( 5.069 7.760 -5.613) 10.836 15.667 ( 0.848 11.525 0.423) 11.564 15.802 ( -3.164 -8.293 -2.038) 9.107 16.405 ( 8.416 1.952 7.494) 11.437 16.449 ( 1.672 8.832 -11.506) 14.601 16.876 ( 6.843 -8.139 1.584) 10.751 17.056 ( 9.081 3.578 0.206) 9.763 18.057 ( -7.320 -4.034 12.239) 14.821 19.059 ( -9.336 -2.542 -8.970) 13.194 21.793 ( -0.401 -0.150 3.809) 3.833 21.832 ( -0.935 0.650 3.260) 3.453 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 8.473 2.214 5.573) 10.380 1.734 ( 7.620 4.633 6.907) 11.280 2.075 ( 1.243 3.224 -6.422) 7.293 2.127 ( -2.197 3.178 -4.231) 5.729 2.219 ( -4.629 -2.239 -2.862) 5.885 2.394 ( 6.243 3.101 2.208) 7.312 2.656 ( 1.610 -7.358 1.141) 7.618 2.758 ( -4.601 -1.018 -1.585) 4.971 2.818 ( 2.945 5.302 3.099) 6.810 3.015 ( -17.329 -0.214 -2.365) 17.491 3.411 ( -7.812 -4.809 -13.699) 16.487 3.720 ( 4.967 -5.060 9.644) 11.970 3.960 ( 6.221 -0.055 0.240) 6.226 4.253 ( -14.348 -2.195 -7.603) 16.386 4.407 ( 12.739 -2.070 11.172) 17.070 4.488 ( 0.857 -0.152 -0.445) 0.978 4.607 ( 1.502 -3.531 3.081) 4.921 4.688 ( -6.321 1.487 1.556) 6.677 5.019 ( 1.506 1.440 -1.245) 2.427 5.374 ( -9.382 1.949 -0.425) 9.592 5.965 ( 3.142 -1.117 0.167) 3.338 6.210 ( 2.097 -3.414 -1.466) 4.266 6.454 ( 0.151 4.936 -7.058) 8.614 6.693 ( -2.798 -1.701 -2.273) 3.986 6.938 ( -3.225 -6.474 2.390) 7.617 7.135 ( -3.771 -4.874 -1.087) 6.258 7.323 ( -8.979 0.240 5.061) 10.310 7.439 ( 3.241 -4.372 6.090) 8.167 7.531 ( -1.174 11.158 -0.162) 11.221 7.621 ( -4.005 5.793 1.636) 7.231 7.948 ( -0.053 0.912 0.356) 0.980 8.102 ( -0.881 2.634 -2.267) 3.585 8.270 ( 1.170 8.776 -2.132) 9.106 8.475 ( -0.128 4.484 -2.018) 4.919 8.586 ( -3.128 4.061 -3.569) 6.246 9.172 ( 3.810 0.739 1.081) 4.029 10.155 ( 0.896 9.287 -6.627) 11.444 10.179 ( 3.078 -0.018 -3.694) 4.808 10.591 ( -1.078 -1.775 0.408) 2.116 10.864 ( 1.241 3.392 -1.734) 4.007 11.224 ( -4.111 -7.710 9.261) 12.732 11.471 ( -6.981 -0.362 0.184) 6.993 11.865 ( 5.057 -4.853 1.631) 7.197 12.076 ( -1.238 -0.884 2.108) 2.600 12.858 ( -4.941 6.539 -8.677) 11.936 13.344 ( -4.511 7.228 -3.610) 9.253 14.099 ( 4.125 -15.567 8.392) 18.159 14.311 ( 2.223 -10.550 -0.235) 10.784 14.787 ( -0.733 2.696 -5.091) 5.807 15.306 ( 5.552 6.496 -3.298) 9.159 15.638 ( -2.287 -0.048 -5.829) 6.262 15.694 ( -5.086 1.121 -0.667) 5.251 16.328 ( 1.286 16.585 -6.863) 17.995 16.703 ( 7.783 -4.291 11.541) 14.567 17.036 ( 12.810 -7.956 -0.487) 15.088 17.233 ( 10.851 2.943 1.594) 11.355 17.994 ( -13.361 -4.123 6.591) 15.458 18.815 ( -9.471 -2.555 -6.715) 11.888 21.821 ( -0.406 -0.334 2.606) 2.658 21.847 ( -0.965 0.476 2.312) 2.550 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 6.276 2.572 6.003) 9.057 1.957 ( 8.611 0.282 5.737) 10.351 2.030 ( -1.558 4.368 -3.191) 5.629 2.040 ( -1.929 4.326 -4.004) 6.202 2.146 ( -4.005 -4.047 -1.422) 5.868 2.491 ( -1.374 0.964 -2.593) 3.089 2.578 ( 2.388 -1.541 -0.941) 2.994 2.727 ( -6.536 4.030 -2.577) 8.099 2.777 ( -3.327 -0.842 3.700) 5.047 2.939 ( 4.865 2.160 2.165) 5.746 3.194 ( -4.175 -4.876 -5.780) 8.638 3.816 ( -4.088 -7.743 1.849) 8.949 3.931 ( -4.789 -2.007 -4.058) 6.590 4.046 ( 1.862 2.393 -1.241) 3.276 4.521 ( 1.459 0.877 0.853) 1.904 4.611 ( -2.123 -0.592 0.814) 2.349 4.662 ( -0.116 -4.378 1.738) 4.712 4.729 ( 10.146 -3.161 6.506) 12.461 4.999 ( -1.478 -2.062 -2.935) 3.879 5.241 ( -5.037 3.021 -0.560) 5.900 6.019 ( 1.689 -1.864 0.927) 2.681 6.259 ( 2.840 0.353 3.093) 4.214 6.359 ( -2.247 3.436 -6.374) 7.582 6.670 ( 0.805 1.077 0.259) 1.369 6.882 ( -3.766 -8.205 -0.947) 9.078 7.109 ( -0.200 -7.789 2.087) 8.066 7.228 ( -4.862 -0.484 0.320) 4.897 7.467 ( -0.876 12.234 -1.227) 12.327 7.525 ( -1.313 9.921 1.543) 10.126 7.608 ( -0.165 -4.929 1.646) 5.199 7.959 ( 0.035 1.976 1.121) 2.272 8.072 ( -0.181 4.701 -1.503) 4.938 8.324 ( 3.940 8.965 2.240) 10.046 8.423 ( -2.214 1.354 -2.881) 3.878 8.521 ( -0.991 5.086 -2.239) 5.645 9.220 ( 1.229 2.181 0.325) 2.524 10.086 ( -0.747 10.126 -3.101) 10.617 10.160 ( 0.130 -0.097 -2.763) 2.767 10.571 ( -0.919 4.080 0.507) 4.213 10.939 ( 3.887 -2.069 1.332) 4.601 11.270 ( -0.375 -6.514 5.216) 8.353 11.357 ( -4.697 -2.558 -2.463) 5.888 11.943 ( 1.732 -4.579 0.213) 4.900 12.152 ( 3.514 -3.581 5.398) 7.369 12.683 ( -4.364 10.215 -6.484) 12.862 13.256 ( -2.107 7.616 -1.592) 8.061 14.235 ( 2.075 -14.911 6.562) 16.423 14.318 ( 0.587 -13.437 -3.047) 13.791 14.741 ( -0.168 4.166 -1.813) 4.546 15.347 ( 2.405 5.826 -1.723) 6.534 15.531 ( -1.563 -1.564 -3.472) 4.116 15.640 ( -2.392 4.506 0.469) 5.123 16.302 ( 0.736 15.258 -1.831) 15.385 16.867 ( 1.964 -4.309 4.087) 6.255 17.240 ( 7.261 -5.660 2.477) 9.534 17.433 ( 13.578 -0.198 -0.985) 13.615 17.793 ( -15.158 -3.218 1.805) 15.601 18.643 ( -4.363 -2.658 -2.672) 5.766 21.837 ( -0.061 0.224 0.908) 0.938 21.852 ( -0.510 -0.227 0.835) 1.004 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 21.972 0.000) 21.972 1.259 ( 0.000 26.495 0.000) 26.495 1.785 ( 0.000 -0.994 0.000) 0.994 1.933 ( 0.000 36.205 0.000) 36.205 2.390 ( 0.000 -4.882 0.000) 4.882 2.546 ( 0.000 -5.046 0.000) 5.046 2.716 ( 0.000 -3.494 0.000) 3.494 2.927 ( 0.000 7.034 0.000) 7.034 2.966 ( 0.000 -6.015 0.000) 6.015 3.405 ( 0.000 2.254 0.000) 2.254 3.413 ( 0.000 1.086 0.000) 1.086 3.658 ( 0.000 -4.020 0.000) 4.020 3.868 ( 0.000 -0.403 0.000) 0.403 4.099 ( 0.000 -11.665 0.000) 11.665 4.282 ( 0.000 -3.511 0.000) 3.511 4.452 ( 0.000 1.068 0.000) 1.068 4.616 ( 0.000 6.535 0.000) 6.535 4.874 ( 0.000 -6.605 0.000) 6.605 5.419 ( 0.000 -0.664 0.000) 0.664 5.731 ( 0.000 -9.619 0.000) 9.619 6.156 ( 0.000 -0.766 0.000) 0.766 6.185 ( 0.000 -1.825 0.000) 1.825 6.503 ( 0.000 6.278 0.000) 6.278 6.581 ( 0.000 -2.572 0.000) 2.572 6.693 ( 0.000 -2.595 0.000) 2.595 7.135 ( 0.000 -1.270 0.000) 1.270 7.371 ( 0.000 0.274 0.000) 0.274 7.464 ( 0.000 -2.186 0.000) 2.186 7.587 ( 0.000 2.087 0.000) 2.087 7.885 ( 0.000 2.741 0.000) 2.741 8.011 ( 0.000 4.369 0.000) 4.369 8.408 ( 0.000 -5.568 0.000) 5.568 8.496 ( 0.000 1.105 0.000) 1.105 8.596 ( 0.000 11.405 0.000) 11.405 8.887 ( 0.000 4.170 0.000) 4.170 9.088 ( 0.000 1.366 0.000) 1.366 9.907 ( 0.000 10.177 0.000) 10.177 9.934 ( 0.000 -1.402 0.000) 1.402 10.039 ( 0.000 -0.436 0.000) 0.436 10.607 ( 0.000 -15.651 0.000) 15.651 11.694 ( 0.000 -3.238 0.000) 3.238 11.873 ( 0.000 -5.745 0.000) 5.745 12.204 ( 0.000 -9.217 0.000) 9.217 12.279 ( 0.000 -6.206 0.000) 6.206 13.032 ( 0.000 10.830 0.000) 10.830 13.350 ( 0.000 4.076 0.000) 4.076 13.509 ( 0.000 5.850 0.000) 5.850 14.033 ( 0.000 -11.431 0.000) 11.431 14.936 ( 0.000 -1.261 0.000) 1.261 15.459 ( 0.000 -8.992 0.000) 8.992 15.806 ( 0.000 7.522 0.000) 7.522 15.808 ( 0.000 -0.651 0.000) 0.651 16.069 ( 0.000 3.740 0.000) 3.740 16.616 ( 0.000 2.284 0.000) 2.284 17.291 ( 0.000 0.968 0.000) 0.968 17.353 ( 0.000 5.442 0.000) 5.442 17.657 ( 0.000 8.379 0.000) 8.379 19.090 ( 0.000 -15.243 0.000) 15.243 21.744 ( 0.000 2.219 0.000) 2.219 21.772 ( 0.000 -0.070 0.000) 0.070 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 12.573 18.595 5.426) 23.093 1.292 ( 5.107 21.140 0.260) 21.750 1.869 ( 9.573 2.219 -0.333) 9.833 2.088 ( 10.327 28.721 6.387) 31.182 2.326 ( -2.630 -5.627 -3.228) 7.001 2.547 ( -4.159 -2.515 2.486) 5.460 2.603 ( -6.970 -4.591 -2.779) 8.797 2.942 ( -2.135 -4.945 -0.744) 5.437 2.964 ( 2.480 4.161 0.310) 4.853 3.287 ( -13.956 2.262 2.575) 14.371 3.365 ( -5.125 -2.063 -0.988) 5.613 3.593 ( 1.689 2.268 -6.233) 6.845 3.941 ( 3.046 -7.252 -1.006) 7.930 4.103 ( -3.444 -4.639 0.727) 5.823 4.213 ( -1.177 -2.952 5.349) 6.222 4.518 ( -1.658 1.771 3.348) 4.135 4.665 ( 6.840 5.007 1.605) 8.627 4.920 ( 5.269 -7.566 -3.948) 10.030 5.351 ( -7.899 -0.311 -0.497) 7.921 5.672 ( -5.458 -8.790 -1.294) 10.427 6.075 ( -3.743 2.101 -5.003) 6.592 6.233 ( 1.552 -2.789 2.468) 4.035 6.491 ( 2.463 8.855 -3.818) 9.953 6.590 ( 2.185 -5.052 1.158) 5.625 6.732 ( 3.888 -4.716 -2.074) 6.455 7.143 ( 2.356 -1.962 -1.933) 3.624 7.321 ( -5.531 0.353 -1.087) 5.648 7.463 ( -2.397 -2.287 3.191) 4.599 7.615 ( -0.434 2.373 4.246) 4.883 7.914 ( 2.735 2.999 -0.293) 4.070 8.006 ( 0.999 3.725 -1.800) 4.256 8.331 ( -7.231 -3.017 -0.452) 7.848 8.419 ( 0.579 4.730 -7.806) 9.146 8.637 ( -0.978 6.524 4.505) 7.989 8.896 ( 1.978 2.909 -0.962) 3.647 9.117 ( -2.386 4.705 2.871) 6.006 9.811 ( 3.454 8.003 0.979) 8.771 10.042 ( 1.678 0.216 -1.289) 2.127 10.277 ( 19.069 -6.588 6.482) 21.190 10.622 ( 1.593 -13.990 -0.411) 14.086 11.643 ( -4.368 -3.233 -0.902) 5.509 11.853 ( 1.623 -5.795 -7.267) 9.435 12.119 ( -12.260 -1.913 -5.900) 13.740 12.185 ( -10.389 -8.603 8.840) 16.127 13.109 ( 5.834 8.386 1.885) 10.388 13.339 ( 0.942 1.250 1.483) 2.156 13.588 ( 4.219 4.345 3.213) 6.856 14.016 ( -0.702 -11.987 -1.587) 12.112 14.940 ( 2.902 -0.864 -3.740) 4.812 15.442 ( 0.514 -8.957 -5.259) 10.399 15.811 ( 1.321 4.937 2.253) 5.585 15.876 ( 3.063 4.996 4.036) 7.116 16.021 ( -1.586 3.779 -3.807) 5.593 16.604 ( -1.909 0.541 -0.332) 2.012 17.082 ( -8.737 6.988 -6.234) 12.808 17.323 ( -3.470 12.057 -9.705) 15.862 17.736 ( 0.833 0.024 12.851) 12.878 19.139 ( 3.646 -15.722 -1.501) 16.208 21.751 ( -0.379 1.597 1.779) 2.421 21.785 ( -0.099 0.159 2.367) 2.375 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 10.627 12.351 3.490) 16.663 1.534 ( 11.076 16.144 8.723) 21.434 2.032 ( 7.958 -1.611 -1.550) 8.266 2.132 ( 3.629 3.443 -7.272) 8.827 2.377 ( 3.205 -0.496 -1.978) 3.799 2.463 ( -4.451 0.724 1.700) 4.819 2.530 ( -2.332 0.670 -3.229) 4.039 2.891 ( -4.735 -6.733 -0.960) 8.287 2.935 ( -3.978 1.452 0.029) 4.235 3.165 ( -4.231 6.260 9.527) 12.160 3.322 ( -2.597 -0.313 5.860) 6.417 3.585 ( 5.084 -2.036 -6.082) 8.184 3.856 ( -4.198 -2.486 -7.226) 8.718 4.069 ( -2.007 -6.664 1.987) 7.238 4.356 ( 0.586 0.861 14.519) 14.556 4.510 ( -1.508 1.311 1.309) 2.389 4.747 ( -1.385 1.910 -3.421) 4.156 4.921 ( 3.557 -3.514 -2.880) 5.770 5.166 ( -12.571 2.314 -1.740) 12.900 5.565 ( -5.755 -6.341 -0.615) 8.585 5.985 ( -1.866 1.482 -2.659) 3.571 6.234 ( -1.764 -1.894 -2.497) 3.596 6.494 ( 3.499 1.704 -3.856) 5.479 6.700 ( 4.218 -4.464 3.594) 7.116 6.780 ( 7.012 -3.939 0.126) 8.044 7.138 ( -1.397 -6.303 -7.038) 9.551 7.187 ( -6.611 2.996 1.145) 7.348 7.447 ( -4.847 -3.188 4.200) 7.163 7.660 ( 1.000 6.757 4.134) 7.984 7.942 ( 0.384 4.178 0.383) 4.213 7.995 ( 0.330 1.967 -2.747) 3.394 8.212 ( -6.653 0.395 0.345) 6.674 8.401 ( 5.059 4.945 -4.883) 8.596 8.647 ( -2.732 6.308 3.590) 7.756 8.936 ( 1.988 1.933 1.077) 2.974 9.041 ( -4.048 5.046 -4.231) 7.731 9.992 ( 11.701 7.511 5.737) 15.041 10.077 ( 5.164 0.730 -1.623) 5.462 10.573 ( 10.846 -3.503 -4.063) 12.100 10.643 ( 2.900 -15.077 3.007) 15.645 11.563 ( -6.935 -2.226 2.888) 7.835 11.767 ( -13.598 -4.909 -8.934) 16.995 11.780 ( -6.601 1.158 -4.329) 7.978 12.120 ( -7.117 -5.260 4.477) 9.918 13.173 ( 1.940 7.732 -2.163) 8.259 13.445 ( 4.090 -5.683 7.505) 10.264 13.657 ( 0.686 3.395 1.451) 3.755 13.992 ( 1.060 -13.773 -2.659) 14.067 14.941 ( 3.118 0.476 -5.333) 6.196 15.354 ( 0.355 -6.197 -10.350) 12.069 15.839 ( -3.306 5.182 1.091) 6.243 15.939 ( 0.318 13.881 4.289) 14.532 16.076 ( 9.473 -3.399 3.917) 10.800 16.555 ( 0.773 -4.563 -4.239) 6.276 16.967 ( -1.645 11.486 -2.751) 11.925 17.160 ( -1.662 13.138 -7.337) 15.140 17.884 ( -1.867 -4.049 13.746) 14.451 19.102 ( -3.469 -13.394 -5.794) 15.000 21.769 ( -0.737 0.701 3.103) 3.265 21.813 ( -0.528 0.168 3.478) 3.522 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 7.594 7.070 1.033) 10.427 1.705 ( 4.669 10.644 4.436) 12.441 2.076 ( 4.306 -3.264 -0.653) 5.443 2.248 ( 9.821 1.880 -2.103) 10.218 2.320 ( -4.000 -6.448 -2.041) 7.858 2.348 ( -8.450 3.669 -3.780) 9.957 2.461 ( 1.209 -0.361 -0.877) 1.536 2.795 ( -3.692 -4.350 -1.942) 6.027 2.916 ( 0.378 4.133 -1.547) 4.429 3.204 ( -7.608 -1.347 4.511) 8.947 3.420 ( 3.490 0.537 5.740) 6.739 3.561 ( -0.176 -4.975 -6.448) 8.146 3.820 ( 5.458 1.380 3.976) 6.893 4.093 ( 1.888 -3.553 5.068) 6.472 4.469 ( -3.943 0.435 6.020) 7.209 4.502 ( -1.424 2.406 1.068) 2.993 4.539 ( -9.146 -6.072 -6.571) 12.795 4.924 ( -9.879 6.576 -1.319) 11.941 5.010 ( 0.833 -1.946 -0.293) 2.137 5.487 ( -5.519 -2.517 2.401) 6.524 5.943 ( -0.467 0.092 -1.998) 2.054 6.164 ( -1.280 -1.697 -2.855) 3.559 6.507 ( 1.120 -2.229 -1.588) 2.957 6.733 ( 1.568 -1.082 -2.560) 3.191 6.909 ( -4.434 -3.519 -2.692) 6.268 7.029 ( 5.393 -7.085 4.080) 9.794 7.153 ( -0.520 -1.223 -1.307) 1.864 7.393 ( -6.811 -3.617 3.331) 8.400 7.744 ( 2.852 11.445 4.666) 12.684 7.923 ( -3.556 8.753 1.178) 9.521 7.972 ( -0.383 0.564 -1.080) 1.277 8.142 ( -2.587 2.168 0.970) 3.512 8.415 ( 2.137 3.954 -5.631) 7.205 8.651 ( -0.243 7.370 2.203) 7.696 8.846 ( -7.596 7.043 -4.129) 11.151 9.061 ( 6.528 -1.139 -0.177) 6.629 10.131 ( 5.537 0.332 -1.540) 5.757 10.287 ( 14.078 8.886 4.313) 17.198 10.532 ( -0.816 -1.438 -7.479) 7.660 10.795 ( 7.242 -10.591 1.747) 12.949 11.356 ( -20.103 5.767 -0.464) 20.919 11.522 ( -7.533 -5.065 2.027) 9.301 11.732 ( 2.754 -2.615 -3.131) 4.922 12.059 ( -3.631 -3.638 0.527) 5.167 13.138 ( -1.978 7.870 -3.849) 8.981 13.556 ( -0.697 -1.250 3.849) 4.106 13.667 ( 0.475 -4.327 3.234) 5.423 13.995 ( 3.084 -15.672 -3.397) 16.330 14.918 ( 0.941 3.011 -4.882) 5.813 15.276 ( 4.029 -5.783 -9.536) 11.858 15.758 ( -4.026 3.976 -3.240) 6.520 15.967 ( -5.314 13.475 6.211) 15.760 16.330 ( 12.165 -3.015 8.924) 15.386 16.588 ( 11.411 -4.851 -7.734) 14.614 16.887 ( -1.070 15.069 -6.013) 16.260 17.171 ( 3.821 6.868 3.537) 8.619 17.949 ( -6.794 -5.627 10.288) 13.552 18.924 ( -8.773 -10.843 -7.425) 15.801 21.793 ( -0.785 0.142 3.401) 3.493 21.838 ( -1.109 -0.114 3.313) 3.496 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.204 2.782 -0.651) 7.750 1.848 ( 4.068 5.585 5.638) 8.918 2.088 ( -2.926 -1.656 1.824) 3.825 2.217 ( -2.451 1.965 -3.842) 4.963 2.228 ( 0.593 4.416 -4.539) 6.360 2.423 ( 6.146 -3.236 4.603) 8.333 2.525 ( 3.575 -0.577 2.099) 4.185 2.696 ( -2.827 -3.637 -6.030) 7.588 2.926 ( 1.729 2.356 0.514) 2.967 3.018 ( -13.038 0.553 -3.183) 13.433 3.334 ( -4.804 -0.929 -10.082) 11.207 3.610 ( -0.051 -4.185 6.383) 7.633 3.966 ( 2.886 0.368 3.691) 4.700 4.192 ( -9.559 -3.246 -6.250) 11.873 4.287 ( 7.168 -6.167 6.172) 11.292 4.536 ( -0.569 -2.586 3.580) 4.452 4.547 ( 3.985 3.007 3.307) 5.988 4.750 ( -8.981 4.322 -0.280) 9.971 4.993 ( -1.107 -4.463 -3.526) 5.794 5.394 ( -8.220 -0.579 -0.005) 8.240 5.945 ( 1.454 -0.207 0.940) 1.743 6.169 ( 2.206 -1.061 2.606) 3.575 6.488 ( -0.686 -1.279 -2.671) 3.040 6.691 ( -1.922 1.459 -4.044) 4.709 6.799 ( -2.671 -6.904 -1.278) 7.512 7.066 ( -2.452 0.055 -2.162) 3.269 7.241 ( 2.692 -7.774 4.733) 9.491 7.327 ( -1.819 -3.519 1.869) 4.380 7.810 ( -0.555 12.549 2.156) 12.745 7.859 ( -5.776 12.433 1.539) 13.795 7.978 ( 0.176 2.432 2.714) 3.648 8.148 ( 0.855 3.291 1.832) 3.863 8.365 ( 1.324 2.085 -5.406) 5.944 8.644 ( -2.007 8.341 -5.015) 9.937 8.727 ( -1.572 8.488 0.193) 8.634 9.162 ( 4.723 -2.149 1.116) 5.308 10.184 ( 3.742 1.186 -3.293) 5.123 10.393 ( 0.133 10.790 -6.462) 12.578 10.561 ( 7.571 0.180 2.801) 8.074 10.884 ( 4.868 -3.945 -3.775) 7.316 11.121 ( -12.019 -0.444 7.998) 14.444 11.411 ( -7.696 -3.350 0.253) 8.397 11.807 ( 6.956 -1.363 0.631) 7.116 12.021 ( -1.385 -3.539 0.441) 3.826 13.033 ( -4.875 9.052 -4.602) 11.264 13.504 ( -4.112 6.783 -1.954) 8.169 13.771 ( 2.816 -14.436 7.727) 16.614 14.003 ( 2.708 -16.684 -4.329) 17.448 14.881 ( 0.525 5.553 -3.240) 6.451 15.257 ( 3.291 -7.621 -6.693) 10.664 15.671 ( -0.145 4.748 -4.728) 6.702 15.910 ( -8.820 11.662 5.214) 15.524 16.613 ( 9.498 -3.073 8.144) 12.884 16.679 ( 7.099 13.787 -7.360) 17.166 16.896 ( 9.508 -1.199 -0.564) 9.600 17.299 ( 6.300 3.341 3.477) 7.933 17.882 ( -12.189 -5.968 5.525) 14.653 18.694 ( -9.411 -9.576 -6.231) 14.802 21.816 ( -0.496 -0.150 2.702) 2.752 21.849 ( -1.246 -0.344 2.176) 2.531 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 10.826 1.870 2.952) 11.376 1.981 ( 3.949 1.722 6.107) 7.474 2.052 ( -5.499 -2.318 2.605) 6.511 2.147 ( -2.751 6.095 -2.092) 7.006 2.179 ( -1.260 5.865 -7.245) 9.407 2.438 ( -3.436 -4.124 -4.773) 7.183 2.544 ( 1.713 -2.442 2.540) 3.918 2.744 ( 3.930 -1.067 3.129) 5.135 2.823 ( -2.862 3.683 -2.119) 5.123 2.971 ( 1.111 -0.921 1.268) 1.921 3.148 ( -5.154 2.304 -6.939) 8.945 3.618 ( -3.126 -9.848 1.579) 10.452 3.905 ( -5.082 -0.184 -2.206) 5.543 4.111 ( 1.345 3.973 0.521) 4.227 4.449 ( 3.823 -7.546 2.313) 8.770 4.558 ( 0.862 -3.792 0.321) 3.902 4.640 ( -3.338 2.784 0.217) 4.352 4.709 ( 5.651 0.548 6.522) 8.647 4.908 ( -3.136 -6.606 -5.117) 8.926 5.268 ( -4.790 -0.860 -0.757) 4.925 5.979 ( 0.952 -0.747 0.705) 1.400 6.273 ( 3.505 -0.293 6.260) 7.180 6.412 ( -2.630 1.268 -6.194) 6.847 6.663 ( 0.644 -4.714 1.630) 5.029 6.748 ( -1.842 -1.701 -2.433) 3.494 7.007 ( -1.558 0.505 -1.190) 2.024 7.222 ( -2.574 -0.932 0.540) 2.790 7.400 ( 2.552 -9.784 1.611) 10.239 7.793 ( -1.529 11.484 0.150) 11.587 7.797 ( -2.751 13.987 0.573) 14.267 8.003 ( -0.157 3.644 1.082) 3.805 8.185 ( 0.911 4.811 1.236) 5.050 8.381 ( 3.010 3.468 0.748) 4.653 8.531 ( -3.173 5.937 -4.652) 8.182 8.737 ( 0.695 11.338 0.111) 11.359 9.224 ( 1.637 -2.892 0.609) 3.378 10.185 ( 0.841 3.284 -1.998) 3.935 10.333 ( -0.726 10.921 -2.400) 11.205 10.650 ( 2.153 2.397 -0.323) 3.238 10.914 ( 2.513 0.324 -0.810) 2.660 11.098 ( -2.613 -8.845 4.718) 10.360 11.310 ( -3.684 -0.300 -0.309) 3.709 11.889 ( 2.022 -0.823 -0.606) 2.266 12.049 ( 2.066 -5.443 2.287) 6.255 12.915 ( -3.268 10.690 -2.695) 11.498 13.432 ( -1.910 8.017 -1.149) 8.321 13.893 ( 1.746 -17.164 7.182) 18.687 13.976 ( 0.622 -16.770 -5.679) 17.717 14.870 ( 0.673 7.585 -0.899) 7.668 15.222 ( -0.158 -8.209 -2.963) 8.729 15.674 ( 4.752 3.444 -2.849) 6.524 15.816 ( -7.388 12.348 2.964) 14.692 16.672 ( 1.490 20.057 -3.195) 20.365 16.781 ( 2.752 -2.505 3.530) 5.129 17.102 ( 9.490 -6.889 2.069) 11.908 17.430 ( 7.450 -0.044 -0.434) 7.463 17.705 ( -12.601 -4.780 2.012) 13.626 18.526 ( -4.334 -9.149 -2.566) 10.444 21.835 ( 0.052 -0.384 1.280) 1.338 21.847 ( -0.759 -0.337 0.493) 0.966 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 13.952 0.000) 13.952 1.741 ( 0.000 18.878 0.000) 18.878 1.745 ( 0.000 -2.478 0.000) 2.478 2.250 ( 0.000 -6.285 0.000) 6.285 2.339 ( 0.000 1.265 0.000) 1.265 2.603 ( 0.000 -1.487 0.000) 1.487 2.715 ( 0.000 12.559 0.000) 12.559 2.961 ( 0.000 8.086 0.000) 8.086 3.028 ( 0.000 0.509 0.000) 0.509 3.363 ( 0.000 -2.430 0.000) 2.430 3.420 ( 0.000 -0.584 0.000) 0.584 3.556 ( 0.000 -10.214 0.000) 10.214 3.848 ( 0.000 -1.078 0.000) 1.078 3.856 ( 0.000 -5.256 0.000) 5.256 4.307 ( 0.000 2.213 0.000) 2.213 4.405 ( 0.000 -4.505 0.000) 4.505 4.737 ( 0.000 5.082 0.000) 5.082 4.811 ( 0.000 0.380 0.000) 0.380 5.393 ( 0.000 -1.443 0.000) 1.443 5.537 ( 0.000 -8.610 0.000) 8.610 6.132 ( 0.000 -1.123 0.000) 1.123 6.140 ( 0.000 -1.832 0.000) 1.832 6.541 ( 0.000 2.266 0.000) 2.266 6.663 ( 0.000 -1.254 0.000) 1.254 6.706 ( 0.000 8.860 0.000) 8.860 7.056 ( 0.000 -6.145 0.000) 6.145 7.362 ( 0.000 -0.315 0.000) 0.315 7.416 ( 0.000 -2.226 0.000) 2.226 7.672 ( 0.000 5.546 0.000) 5.546 7.892 ( 0.000 -2.235 0.000) 2.235 8.122 ( 0.000 5.338 0.000) 5.338 8.293 ( 0.000 -4.911 0.000) 4.911 8.529 ( 0.000 3.521 0.000) 3.521 8.747 ( 0.000 1.266 0.000) 1.266 8.998 ( 0.000 5.490 0.000) 5.490 9.103 ( 0.000 0.279 0.000) 0.279 9.917 ( 0.000 -0.172 0.000) 0.172 9.978 ( 0.000 -2.295 0.000) 2.295 10.114 ( 0.000 5.934 0.000) 5.934 10.321 ( 0.000 -10.123 0.000) 10.123 11.639 ( 0.000 -1.357 0.000) 1.357 11.751 ( 0.000 -5.530 0.000) 5.530 12.076 ( 0.000 -2.715 0.000) 2.715 12.160 ( 0.000 -5.019 0.000) 5.019 13.256 ( 0.000 10.340 0.000) 10.340 13.452 ( 0.000 5.768 0.000) 5.768 13.558 ( 0.000 -1.570 0.000) 1.570 13.795 ( 0.000 -10.734 0.000) 10.734 14.956 ( 0.000 3.574 0.000) 3.574 15.265 ( 0.000 -9.285 0.000) 9.285 15.799 ( 0.000 -0.023 0.000) 0.023 15.833 ( 0.000 -1.256 0.000) 1.256 16.314 ( 0.000 14.594 0.000) 14.594 16.652 ( 0.000 0.037 0.000) 0.037 17.280 ( 0.000 -1.453 0.000) 1.453 17.333 ( 0.000 -3.710 0.000) 3.710 17.968 ( 0.000 17.905 0.000) 17.905 18.738 ( 0.000 -17.834 0.000) 17.834 21.774 ( 0.000 0.293 0.000) 0.293 21.777 ( 0.000 0.795 0.000) 0.795 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 9.557 11.793 -0.492) 15.187 1.652 ( -0.154 10.719 -0.229) 10.723 1.908 ( 9.148 4.263 0.262) 10.096 2.219 ( -2.205 -4.646 -3.612) 6.285 2.365 ( 3.785 -1.395 0.937) 4.141 2.514 ( -10.456 -3.339 -0.814) 11.007 2.711 ( -0.295 13.790 1.558) 13.881 2.902 ( -3.770 4.138 -1.045) 5.695 2.992 ( -4.215 -3.378 -5.721) 7.868 3.315 ( -5.444 1.454 1.253) 5.772 3.377 ( -4.102 0.759 2.049) 4.648 3.511 ( 1.013 -7.488 -6.522) 9.982 3.832 ( 2.735 -1.000 -0.095) 2.913 3.995 ( 2.855 -5.063 6.431) 8.668 4.260 ( -2.746 5.372 4.104) 7.296 4.504 ( 0.874 -3.905 6.010) 7.221 4.740 ( 4.084 2.198 0.702) 4.691 4.825 ( 0.711 -1.050 -3.006) 3.263 5.351 ( -5.404 0.317 0.446) 5.432 5.500 ( -3.367 -7.205 -0.718) 7.985 6.092 ( -1.888 0.156 -3.302) 3.807 6.161 ( -0.535 -3.384 2.255) 4.101 6.552 ( 1.520 1.210 -0.017) 1.943 6.620 ( -0.847 1.861 -4.002) 4.494 6.740 ( 3.437 5.357 -0.861) 6.423 7.042 ( 0.057 -6.775 -2.702) 7.294 7.322 ( -4.640 0.265 -0.108) 4.648 7.409 ( -2.953 -2.809 2.634) 4.853 7.702 ( 1.921 5.353 2.800) 6.339 7.919 ( 3.263 -2.596 -1.060) 4.303 8.129 ( 1.011 6.719 -0.946) 6.860 8.272 ( -1.965 -2.137 0.001) 2.903 8.499 ( 2.216 3.998 -6.853) 8.238 8.705 ( -3.062 -0.245 0.797) 3.173 8.989 ( -0.993 4.650 -1.509) 4.989 9.131 ( -0.181 -2.390 2.278) 3.307 9.968 ( 8.072 5.088 -0.207) 9.544 10.010 ( 4.210 -1.811 -1.649) 4.871 10.209 ( 5.146 -0.760 7.343) 8.999 10.395 ( 8.784 -6.997 -0.401) 11.238 11.589 ( -3.520 -1.119 -2.516) 4.469 11.726 ( 0.025 -6.087 -5.623) 8.286 12.051 ( -9.627 -3.374 5.809) 11.740 12.074 ( -7.036 -2.553 -0.446) 7.498 13.299 ( 3.483 9.380 1.849) 10.175 13.408 ( -0.653 4.887 -3.605) 6.108 13.616 ( 0.818 -2.010 5.819) 6.210 13.768 ( -1.845 -11.071 -1.865) 11.378 14.963 ( 3.342 3.441 -3.886) 6.173 15.253 ( 1.152 -8.838 -4.408) 9.943 15.840 ( 2.616 0.263 3.645) 4.494 15.872 ( 3.539 -1.691 1.820) 4.324 16.270 ( -1.806 13.839 -4.130) 14.555 16.606 ( -2.373 -1.427 -5.252) 5.937 17.187 ( -3.832 4.345 -0.908) 5.864 17.412 ( -1.399 -3.622 6.854) 7.878 17.930 ( -2.773 17.570 -0.305) 17.790 18.766 ( 1.949 -19.388 -0.390) 19.489 21.774 ( -0.738 0.708 1.523) 1.835 21.791 ( -0.119 0.155 2.026) 2.036 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 6.615 7.573 -2.239) 10.301 1.830 ( 12.630 9.660 5.992) 16.993 1.937 ( -1.561 -2.789 -7.258) 7.931 2.209 ( 5.557 -1.592 -2.451) 6.279 2.304 ( -8.419 0.968 0.323) 8.481 2.458 ( -1.073 -2.611 3.606) 4.579 2.664 ( -6.070 7.004 -6.391) 11.258 2.772 ( -5.979 -3.829 -4.005) 8.152 2.925 ( 3.531 -0.436 -1.589) 3.896 3.196 ( -7.570 -5.486 -0.508) 9.362 3.405 ( 2.137 6.335 5.482) 8.646 3.494 ( 3.271 -2.624 -3.773) 5.641 3.895 ( 0.767 3.213 3.061) 4.504 3.997 ( -3.525 0.644 1.405) 3.849 4.359 ( 0.285 0.346 12.109) 12.117 4.525 ( -2.530 -1.972 2.166) 3.871 4.721 ( -7.076 -1.162 -5.512) 9.044 4.866 ( 5.934 -3.087 1.834) 6.936 5.237 ( -9.017 4.624 0.406) 10.141 5.444 ( -3.347 -5.026 1.315) 6.180 6.013 ( -2.978 1.373 -2.632) 4.205 6.151 ( -3.108 -5.043 0.985) 6.005 6.531 ( 0.408 2.673 -5.456) 6.089 6.633 ( 3.659 -1.759 1.193) 4.231 6.795 ( 5.374 2.527 -1.255) 6.070 6.982 ( -2.159 -7.644 -6.561) 10.302 7.234 ( -5.941 2.041 1.224) 6.400 7.373 ( -5.264 -3.718 3.207) 7.199 7.791 ( 3.923 4.834 4.531) 7.700 7.953 ( 2.336 -2.337 -1.205) 3.517 8.119 ( 0.054 9.185 -2.397) 9.492 8.252 ( -0.594 2.497 0.743) 2.673 8.491 ( 4.541 3.507 -5.242) 7.772 8.679 ( -2.338 -2.783 2.212) 4.255 8.983 ( 1.986 2.956 -0.222) 3.568 9.092 ( -3.784 -0.736 -2.540) 4.616 10.067 ( 6.214 0.520 -2.052) 6.565 10.163 ( 12.195 4.015 2.469) 13.074 10.387 ( 6.742 -4.883 6.527) 10.578 10.551 ( 11.688 -1.251 -3.681) 12.318 11.500 ( -5.581 -2.412 0.479) 6.099 11.615 ( -5.249 -6.803 -7.921) 11.687 11.857 ( -12.352 3.612 0.417) 12.876 12.017 ( -5.752 -4.462 3.777) 8.201 13.335 ( 0.492 6.883 -3.424) 7.703 13.421 ( 1.394 3.915 5.591) 6.966 13.675 ( -1.053 -2.386 4.524) 5.222 13.709 ( -0.995 -12.465 -3.846) 13.082 14.973 ( 4.652 2.888 -6.127) 8.218 15.201 ( 1.256 -7.268 -8.220) 11.044 15.912 ( 0.072 2.208 2.373) 3.242 16.005 ( 6.631 -2.219 6.970) 9.873 16.216 ( 2.117 10.792 -3.048) 11.413 16.486 ( -0.746 -2.881 -8.982) 9.462 17.173 ( -0.992 8.657 4.533) 9.822 17.408 ( -3.953 4.647 1.161) 6.211 17.907 ( -3.240 10.491 4.283) 11.785 18.744 ( -2.790 -20.123 -3.337) 20.588 21.783 ( -1.065 0.678 2.802) 3.073 21.812 ( -0.799 -0.373 3.055) 3.180 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 4.970 2.643 -1.775) 5.903 1.835 ( 2.519 0.284 -4.247) 4.946 2.069 ( 5.042 3.461 4.741) 7.738 2.221 ( -0.184 -0.923 0.283) 0.982 2.255 ( -2.537 -1.188 2.260) 3.599 2.378 ( -6.843 -1.571 -1.825) 7.255 2.546 ( 1.132 5.997 -1.665) 6.326 2.697 ( -0.186 -3.864 -4.535) 5.961 2.938 ( 2.800 -0.448 -6.178) 6.797 3.112 ( -4.333 -6.896 0.854) 8.189 3.480 ( 0.161 3.773 -2.340) 4.443 3.547 ( 4.315 2.453 3.613) 6.139 3.883 ( -1.053 4.732 3.186) 5.801 4.047 ( 1.179 -0.758 6.766) 6.909 4.398 ( -10.489 -5.194 -7.024) 13.650 4.452 ( -1.448 -2.545 6.981) 7.570 4.594 ( -3.335 5.127 1.378) 6.269 4.895 ( -2.626 -8.272 -2.391) 9.002 5.086 ( -9.372 8.794 0.087) 12.852 5.417 ( -4.938 -4.694 4.011) 7.906 5.960 ( -0.983 1.816 -0.633) 2.160 6.107 ( -2.209 -3.912 0.950) 4.592 6.496 ( 0.382 2.285 -2.390) 3.328 6.694 ( 2.970 -3.125 -0.937) 4.412 6.829 ( -4.697 -3.562 -7.722) 9.715 6.908 ( 6.880 -4.580 2.051) 8.516 7.174 ( -3.173 2.790 0.469) 4.251 7.318 ( -5.192 -3.424 2.493) 6.700 7.913 ( 3.302 2.564 5.562) 6.958 7.978 ( 1.848 0.311 1.014) 2.131 8.084 ( -0.544 9.842 -3.063) 10.321 8.276 ( 0.978 7.306 3.374) 8.107 8.469 ( -0.319 1.633 -7.273) 7.461 8.700 ( 1.294 -3.003 3.929) 5.112 8.965 ( -5.416 4.274 -1.530) 7.067 9.054 ( 4.746 0.277 -2.726) 5.480 10.156 ( 6.889 2.492 -1.254) 7.432 10.370 ( 9.586 -3.340 1.040) 10.204 10.557 ( 8.939 3.528 1.282) 9.695 10.661 ( 7.982 -0.519 -4.387) 9.123 11.369 ( -13.184 -3.077 -3.006) 13.868 11.449 ( -7.415 -2.628 4.486) 9.056 11.743 ( -1.123 4.003 -0.866) 4.247 11.971 ( -2.277 -4.796 0.133) 5.311 13.287 ( -1.879 5.430 -3.451) 6.703 13.489 ( -2.757 0.460 7.684) 8.177 13.648 ( -0.411 -7.477 -3.428) 8.236 13.699 ( 0.411 -6.678 -0.040) 6.691 14.978 ( 4.059 2.670 -5.812) 7.575 15.137 ( 2.931 -6.045 -8.525) 10.854 15.873 ( -3.990 6.479 -2.008) 7.869 16.121 ( -5.311 -0.422 6.868) 8.692 16.336 ( 12.549 3.850 3.605) 13.613 16.479 ( 13.076 -3.777 -7.649) 15.613 17.217 ( 0.289 11.699 2.095) 11.889 17.351 ( -3.310 9.278 1.754) 10.006 17.886 ( -6.722 2.931 5.149) 8.961 18.607 ( -7.693 -18.898 -5.472) 21.125 21.799 ( -1.107 0.417 3.187) 3.399 21.828 ( -1.373 -0.731 3.114) 3.481 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.526 2.541 -2.043) 7.296 1.910 ( 2.808 -0.742 2.903) 4.107 2.065 ( -4.887 0.205 3.159) 5.823 2.208 ( -1.555 -5.091 1.955) 5.671 2.270 ( 2.126 3.568 0.847) 4.239 2.389 ( 3.305 0.202 -0.479) 3.346 2.574 ( 1.800 2.399 0.913) 3.134 2.639 ( 0.693 -1.542 -5.577) 5.828 2.921 ( 2.018 -0.142 -3.569) 4.102 3.017 ( -6.535 -1.715 -1.611) 6.946 3.390 ( -3.721 5.487 -7.522) 10.027 3.569 ( -5.140 -0.522 -0.530) 5.193 3.955 ( -0.288 -1.076 3.346) 3.526 4.107 ( 1.121 -5.528 2.562) 6.195 4.233 ( -1.809 2.811 2.057) 3.925 4.499 ( -1.441 -2.316 5.436) 6.081 4.589 ( 1.370 1.334 1.448) 2.398 4.782 ( -4.096 -6.077 -4.483) 8.591 4.943 ( -8.108 6.187 -0.888) 10.237 5.327 ( -8.900 -6.219 0.274) 10.861 5.974 ( 1.382 3.037 1.714) 3.751 6.131 ( 1.747 -2.875 4.048) 5.264 6.474 ( -1.184 0.758 -1.078) 1.772 6.637 ( -4.706 -6.003 -5.982) 9.694 6.762 ( 2.767 3.424 -0.821) 4.479 7.049 ( 5.708 -8.682 3.491) 10.961 7.125 ( -2.522 3.322 -1.368) 4.390 7.264 ( -3.632 -2.925 0.581) 4.699 7.961 ( -0.597 1.941 1.454) 2.498 8.017 ( -2.119 2.938 -0.852) 3.721 8.095 ( 3.037 8.621 5.480) 10.657 8.337 ( -2.058 11.399 -2.409) 11.831 8.377 ( 3.343 0.856 0.595) 3.502 8.777 ( 2.888 0.590 0.563) 3.001 8.859 ( -4.519 5.832 -0.863) 7.428 9.091 ( 2.801 -3.870 -2.628) 5.453 10.246 ( 5.441 4.827 -1.133) 7.361 10.461 ( 2.482 -1.986 -1.524) 3.525 10.667 ( 7.934 4.919 -7.693) 12.097 10.755 ( 5.622 -5.711 1.525) 8.158 11.155 ( -10.826 4.030 2.760) 11.877 11.387 ( -6.978 -0.626 4.818) 8.503 11.793 ( 6.403 0.757 0.598) 6.475 11.946 ( -0.339 -3.718 -1.219) 3.927 13.197 ( -4.567 5.961 -3.109) 8.127 13.512 ( -2.284 -9.744 4.897) 11.141 13.602 ( -2.348 0.956 -1.004) 2.727 13.708 ( 2.235 -8.419 -2.421) 9.041 14.983 ( 3.596 3.521 -4.020) 6.442 15.114 ( 3.145 -5.264 -5.518) 8.249 15.783 ( -2.737 6.682 -3.207) 7.901 16.050 ( -7.853 0.317 2.902) 8.378 16.598 ( 12.171 1.359 4.336) 12.992 16.699 ( 18.548 -3.344 -1.658) 18.919 17.196 ( -1.507 18.931 -2.248) 19.124 17.374 ( 0.461 3.838 4.806) 6.167 17.787 ( -11.013 -0.852 2.961) 11.436 18.406 ( -8.891 -17.670 -5.346) 20.491 21.815 ( -0.827 0.045 2.566) 2.696 21.836 ( -1.337 -0.803 2.232) 2.722 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 7.089 0.035 0.441) 7.103 1.970 ( 0.701 -2.309 2.560) 3.518 2.057 ( -1.242 2.358 5.957) 6.527 2.229 ( 1.041 -2.022 -0.241) 2.287 2.276 ( -1.873 5.000 -3.856) 6.587 2.377 ( -0.624 -1.244 -2.786) 3.115 2.534 ( -1.621 2.744 0.600) 3.243 2.699 ( 4.056 -3.199 1.218) 5.307 2.902 ( 0.388 3.746 -2.177) 4.350 2.946 ( -1.085 -0.220 0.092) 1.111 3.233 ( -4.608 4.326 -5.761) 8.552 3.435 ( -5.710 -7.311 -1.511) 9.399 3.927 ( -1.957 2.376 0.283) 3.091 4.202 ( 3.033 -0.668 2.693) 4.111 4.266 ( 0.599 -3.417 1.579) 3.812 4.514 ( -0.388 -1.002 0.964) 1.444 4.667 ( 1.794 -5.102 5.240) 7.531 4.717 ( 0.862 -0.973 -2.818) 3.103 4.814 ( -4.854 4.622 -2.551) 7.172 5.194 ( -5.087 -6.357 -0.882) 8.189 6.012 ( 0.896 3.712 0.888) 3.921 6.220 ( 2.188 -4.232 3.973) 6.203 6.432 ( -1.495 0.652 -2.091) 2.652 6.525 ( -2.330 -5.587 -2.348) 6.492 6.805 ( 1.889 5.210 0.367) 5.554 7.071 ( -1.576 3.792 -1.243) 4.291 7.152 ( 2.637 -8.219 3.051) 9.155 7.213 ( -2.115 -4.851 -1.699) 5.558 7.960 ( -0.222 3.653 0.104) 3.661 7.970 ( -1.796 4.458 -0.340) 4.819 8.173 ( -0.181 9.119 2.912) 9.574 8.267 ( 0.434 3.607 -2.936) 4.671 8.521 ( 4.896 9.133 8.559) 13.440 8.691 ( -3.970 9.256 -8.552) 13.213 8.884 ( 1.070 1.660 3.009) 3.599 9.090 ( 0.584 -9.072 -1.741) 9.256 10.298 ( 2.108 6.902 -0.536) 7.237 10.457 ( -0.200 1.138 -0.908) 1.469 10.663 ( 1.911 -0.784 -5.010) 5.419 10.831 ( 1.544 -9.055 1.194) 9.263 11.094 ( -2.169 9.535 2.684) 10.141 11.345 ( -2.536 1.816 2.008) 3.710 11.886 ( 2.566 0.106 -0.728) 2.670 11.946 ( 1.332 -3.893 0.900) 4.211 13.102 ( -2.839 7.002 -1.536) 7.710 13.518 ( -0.858 -13.722 0.698) 13.767 13.573 ( -0.867 1.633 0.920) 2.065 13.712 ( 0.876 -7.666 -1.398) 7.841 15.011 ( 2.901 4.444 -1.185) 5.438 15.097 ( -0.141 -3.504 -2.046) 4.060 15.734 ( -0.066 4.442 -1.565) 4.710 15.968 ( -3.998 0.783 1.001) 4.195 16.780 ( 5.872 2.429 0.933) 6.423 16.958 ( 10.407 -4.876 1.370) 11.574 17.157 ( -0.768 22.436 -0.732) 22.461 17.433 ( 2.414 0.397 1.015) 2.648 17.623 ( -9.874 -1.505 1.141) 10.053 18.247 ( -4.268 -17.444 -2.433) 18.123 21.826 ( -0.279 -0.318 1.076) 1.157 21.836 ( -0.585 -0.650 0.713) 1.128 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 -5.228 0.000) 5.228 1.673 ( 0.000 5.228 0.000) 5.228 2.050 ( 0.000 -11.524 0.000) 11.524 2.050 ( 0.000 11.524 0.000) 11.524 2.460 ( 0.000 -8.729 0.000) 8.729 2.460 ( 0.000 8.729 0.000) 8.729 2.921 ( 0.000 -8.383 0.000) 8.383 2.921 ( 0.000 8.383 0.000) 8.383 3.263 ( 0.000 -15.050 0.000) 15.050 3.263 ( 0.000 15.050 0.000) 15.050 3.387 ( 0.000 -2.187 0.000) 2.187 3.387 ( 0.000 2.187 0.000) 2.187 3.831 ( 0.000 -0.459 0.000) 0.459 3.831 ( 0.000 0.459 0.000) 0.459 4.338 ( 0.000 -1.470 0.000) 1.470 4.338 ( 0.000 1.470 0.000) 1.470 4.815 ( 0.000 -1.567 0.000) 1.567 4.815 ( 0.000 1.567 0.000) 1.567 5.401 ( 0.000 -3.374 0.000) 3.374 5.401 ( 0.000 3.374 0.000) 3.374 6.120 ( 0.000 -0.079 0.000) 0.079 6.120 ( 0.000 0.079 0.000) 0.079 6.613 ( 0.000 -3.584 0.000) 3.584 6.613 ( 0.000 3.584 0.000) 3.584 6.894 ( 0.000 -8.795 0.000) 8.795 6.894 ( 0.000 8.795 0.000) 8.795 7.375 ( 0.000 -1.467 0.000) 1.467 7.375 ( 0.000 1.467 0.000) 1.467 7.799 ( 0.000 -6.015 0.000) 6.015 7.799 ( 0.000 6.015 0.000) 6.015 8.210 ( 0.000 -3.374 0.000) 3.374 8.210 ( 0.000 3.374 0.000) 3.374 8.659 ( 0.000 -7.488 0.000) 7.488 8.659 ( 0.000 7.488 0.000) 7.488 9.087 ( 0.000 -2.500 0.000) 2.500 9.087 ( 0.000 2.500 0.000) 2.500 9.929 ( 0.000 -1.592 0.000) 1.592 9.929 ( 0.000 1.592 0.000) 1.592 10.197 ( 0.000 -3.076 0.000) 3.076 10.197 ( 0.000 3.076 0.000) 3.076 11.656 ( 0.000 -3.041 0.000) 3.041 11.656 ( 0.000 3.041 0.000) 3.041 12.078 ( 0.000 -2.412 0.000) 2.412 12.078 ( 0.000 2.412 0.000) 2.412 13.452 ( 0.000 -7.885 0.000) 7.885 13.452 ( 0.000 7.885 0.000) 7.885 13.596 ( 0.000 -8.136 0.000) 8.136 13.596 ( 0.000 8.136 0.000) 8.136 15.081 ( 0.000 -7.867 0.000) 7.867 15.081 ( 0.000 7.867 0.000) 7.867 15.809 ( 0.000 -0.871 0.000) 0.871 15.809 ( 0.000 0.871 0.000) 0.871 16.570 ( 0.000 -8.489 0.000) 8.489 16.570 ( 0.000 8.489 0.000) 8.489 17.271 ( 0.000 -1.402 0.000) 1.402 17.271 ( 0.000 1.402 0.000) 1.402 18.354 ( 0.000 -18.590 0.000) 18.590 18.354 ( 0.000 18.590 0.000) 18.590 21.781 ( 0.000 -0.218 0.000) 0.218 21.781 ( 0.000 0.218 0.000) 0.218 ======================= Grid point 46 (26/170) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 5.641 -2.563 -1.101) 6.293 1.715 ( 5.641 2.563 -1.101) 6.293 2.070 ( 1.982 -8.939 -1.473) 9.274 2.070 ( 1.982 8.939 -1.473) 9.274 2.418 ( -3.372 -5.638 0.126) 6.571 2.418 ( -3.372 5.638 0.126) 6.571 2.863 ( -4.469 -5.838 -3.400) 8.100 2.863 ( -4.469 5.838 -3.400) 8.100 3.140 ( -6.747 -12.674 -3.893) 14.877 3.140 ( -6.747 12.674 -3.893) 14.877 3.446 ( 0.993 -2.778 1.912) 3.516 3.446 ( 0.993 2.778 1.912) 3.516 3.882 ( 4.146 -5.046 2.958) 7.169 3.882 ( 4.146 5.046 2.958) 7.169 4.388 ( 0.752 -6.245 5.623) 8.437 4.388 ( 0.752 6.245 5.623) 8.437 4.795 ( -1.204 -2.667 -0.934) 3.072 4.795 ( -1.204 2.667 -0.934) 3.072 5.385 ( -2.264 -3.510 0.432) 4.199 5.385 ( -2.264 3.510 0.432) 4.199 6.107 ( -1.444 -1.621 -0.573) 2.245 6.107 ( -1.444 1.621 -0.573) 2.245 6.603 ( 0.141 -2.604 -1.488) 3.003 6.603 ( 0.141 2.604 -1.488) 3.003 6.886 ( 0.421 -7.658 -2.278) 8.001 6.886 ( 0.421 7.658 -2.278) 8.001 7.351 ( -3.756 -2.406 1.275) 4.639 7.351 ( -3.756 2.406 1.275) 4.639 7.823 ( 2.570 -5.792 0.319) 6.345 7.823 ( 2.570 5.792 0.319) 6.345 8.229 ( 1.990 -2.730 0.199) 3.384 8.229 ( 1.990 2.730 0.199) 3.384 8.622 ( -0.225 -6.766 -4.841) 8.322 8.622 ( -0.225 6.766 -4.841) 8.322 9.067 ( -2.313 -3.086 0.690) 3.917 9.067 ( -2.313 3.086 0.690) 3.917 9.995 ( 5.999 -1.144 0.907) 6.174 9.995 ( 5.999 1.144 0.907) 6.174 10.275 ( 7.939 -5.556 2.385) 9.979 10.275 ( 7.939 5.556 2.385) 9.979 11.617 ( -2.297 -3.733 -3.903) 5.869 11.617 ( -2.297 3.733 -3.903) 5.869 12.032 ( -7.158 -1.049 2.720) 7.729 12.032 ( -7.158 1.049 2.720) 7.729 13.473 ( 4.039 -4.916 -2.893) 6.989 13.473 ( 4.039 4.916 -2.893) 6.989 13.578 ( -4.321 -5.224 3.561) 7.658 13.578 ( -4.321 5.224 3.561) 7.658 15.080 ( 2.408 -7.344 -4.038) 8.720 15.080 ( 2.408 7.344 -4.038) 8.720 15.847 ( 3.082 -0.637 2.679) 4.133 15.847 ( 3.082 0.637 2.679) 4.133 16.509 ( -2.271 -8.180 -6.605) 10.756 16.509 ( -2.271 8.180 -6.605) 10.756 17.295 ( -1.527 -6.012 6.174) 8.752 17.295 ( -1.527 6.012 6.174) 8.752 18.343 ( -0.882 -20.523 -1.101) 20.571 18.343 ( -0.882 20.523 -1.101) 20.571 21.786 ( -0.496 -0.497 1.666) 1.808 21.786 ( -0.496 0.497 1.666) 1.808 ======================= Grid point 48 (27/170) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 4.734 -5.765 -4.293) 8.607 1.785 ( 4.734 5.765 -4.293) 8.607 2.081 ( 4.208 -8.327 -1.639) 9.473 2.081 ( 4.208 8.327 -1.639) 9.473 2.390 ( -5.379 -4.194 4.672) 8.268 2.390 ( -5.379 4.194 4.672) 8.268 2.727 ( -4.887 -0.922 -5.716) 7.577 2.727 ( -4.887 0.922 -5.716) 7.577 3.015 ( -2.493 -8.721 -3.878) 9.864 3.015 ( -2.493 8.721 -3.878) 9.864 3.482 ( 2.642 -1.383 1.240) 3.229 3.482 ( 2.642 1.383 1.240) 3.229 3.981 ( 1.142 -3.906 4.932) 6.394 3.981 ( 1.142 3.906 4.932) 6.394 4.420 ( -4.083 -5.664 4.129) 8.112 4.420 ( -4.083 5.664 4.129) 8.112 4.772 ( -1.215 -4.783 -0.368) 4.948 4.772 ( -1.215 4.783 -0.368) 4.948 5.343 ( -4.449 -4.969 2.106) 6.994 5.343 ( -4.449 4.969 2.106) 6.994 6.059 ( -3.127 -3.308 -0.785) 4.619 6.059 ( -3.127 3.308 -0.785) 4.619 6.596 ( 1.848 -2.672 -2.581) 4.150 6.596 ( 1.848 2.672 -2.581) 4.150 6.854 ( -0.145 -4.081 -3.807) 5.583 6.854 ( -0.145 4.081 -3.807) 5.583 7.295 ( -5.033 -3.635 2.154) 6.572 7.295 ( -5.033 3.635 2.154) 6.572 7.881 ( 3.453 -4.062 1.126) 5.449 7.881 ( 3.453 4.062 1.126) 5.449 8.266 ( 2.302 -2.753 -0.340) 3.605 8.266 ( 2.302 2.753 -0.340) 3.605 8.578 ( 0.492 -5.480 -3.342) 6.438 8.578 ( 0.492 5.480 -3.342) 6.438 9.045 ( -0.762 -2.847 0.047) 2.948 9.045 ( -0.762 2.847 0.047) 2.948 10.111 ( 7.264 -4.021 0.730) 8.334 10.111 ( 7.264 4.021 0.730) 8.334 10.470 ( 12.223 -6.556 1.166) 13.919 10.470 ( 12.223 6.556 1.166) 13.919 11.504 ( -5.898 -3.132 -3.889) 7.727 11.504 ( -5.898 3.132 -3.889) 7.727 11.932 ( -7.995 -3.682 2.675) 9.200 11.932 ( -7.995 3.682 2.675) 9.200 13.478 ( 1.431 -7.646 -6.051) 9.855 13.478 ( 1.431 7.646 -6.051) 9.855 13.570 ( -2.921 -6.417 7.094) 10.002 13.570 ( -2.921 6.417 7.094) 10.002 15.064 ( 3.237 -5.613 -7.167) 9.662 15.064 ( 3.237 5.613 -7.167) 9.662 15.957 ( 4.324 -2.268 4.974) 6.971 15.957 ( 4.324 2.268 4.974) 6.971 16.396 ( -0.038 -6.260 -7.899) 10.079 16.396 ( -0.038 6.260 -7.899) 10.079 17.344 ( -1.974 -7.233 7.446) 10.567 17.344 ( -1.974 7.233 7.446) 10.567 18.291 ( -3.686 -22.077 -2.246) 22.495 18.291 ( -3.686 22.077 -2.246) 22.495 21.799 ( -1.052 -0.783 2.785) 3.078 21.799 ( -1.052 0.783 2.785) 3.078 ======================= Grid point 50 (28/170) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.692 -2.424 -3.434) 5.594 1.793 ( 3.692 2.424 -3.434) 5.594 2.160 ( 1.649 -4.321 0.007) 4.625 2.160 ( 1.649 4.321 0.007) 4.625 2.310 ( -5.912 -4.410 4.129) 8.453 2.310 ( -5.912 4.410 4.129) 8.453 2.636 ( -0.131 -2.827 -4.010) 4.909 2.636 ( -0.131 2.827 -4.010) 4.909 2.976 ( 1.611 -4.750 -3.637) 6.196 2.976 ( 1.611 4.750 -3.637) 6.196 3.555 ( 3.335 -2.286 0.858) 4.133 3.555 ( 3.335 2.286 0.858) 4.133 4.000 ( -3.921 -4.960 3.193) 7.083 4.000 ( -3.921 4.960 3.193) 7.083 4.377 ( -3.605 -3.365 1.687) 5.212 4.377 ( -3.605 3.365 1.687) 5.212 4.719 ( -4.315 -7.320 -0.917) 8.547 4.719 ( -4.315 7.320 -0.917) 8.547 5.276 ( -7.762 -8.524 2.390) 11.774 5.276 ( -7.762 8.524 2.390) 11.774 6.021 ( -1.000 -3.797 1.220) 4.112 6.021 ( -1.000 3.797 1.220) 4.112 6.590 ( 0.483 -5.811 -3.501) 6.801 6.590 ( 0.483 5.811 -3.501) 6.801 6.824 ( 1.577 -2.852 -1.800) 3.723 6.824 ( 1.577 2.852 -1.800) 3.723 7.246 ( -3.744 -3.591 1.638) 5.440 7.246 ( -3.744 3.591 1.638) 5.440 7.953 ( 2.797 -1.928 2.433) 4.178 7.953 ( 2.797 1.928 2.433) 4.178 8.284 ( 1.538 -6.758 -2.476) 7.360 8.284 ( 1.538 6.758 -2.476) 7.360 8.570 ( 0.320 -7.693 1.486) 7.842 8.570 ( 0.320 7.693 1.486) 7.842 9.035 ( 0.179 -2.347 -1.695) 2.901 9.035 ( 0.179 2.347 -1.695) 2.901 10.246 ( 8.262 -5.942 0.662) 10.198 10.246 ( 8.262 5.942 0.662) 10.198 10.644 ( 9.746 -3.199 -3.378) 10.799 10.644 ( 9.746 3.199 -3.378) 10.799 11.369 ( -8.336 -3.308 1.701) 9.129 11.369 ( -8.336 3.308 1.701) 9.129 11.858 ( -2.645 -5.909 0.189) 6.477 11.858 ( -2.645 5.909 0.189) 6.477 13.407 ( -3.161 -7.584 -3.341) 8.869 13.407 ( -3.161 7.584 -3.342) 8.869 13.609 ( -0.442 -5.105 3.785) 6.370 13.609 ( -0.442 5.105 3.785) 6.370 15.039 ( 3.934 -3.496 -7.467) 9.135 15.039 ( 3.934 3.496 -7.467) 9.135 16.021 ( -3.031 -7.045 2.280) 8.001 16.021 ( -3.031 7.045 2.280) 8.001 16.418 ( 11.538 -3.020 -3.000) 12.298 16.418 ( 11.538 3.020 -3.000) 12.298 17.386 ( -2.048 -5.063 6.172) 8.241 17.386 ( -2.048 5.063 6.172) 8.241 18.172 ( -7.350 -20.826 -3.254) 22.323 18.172 ( -7.350 20.826 -3.254) 22.323 21.811 ( -1.374 -0.786 3.058) 3.444 21.811 ( -1.374 0.786 3.058) 3.444 ======================= Grid point 52 (29/170) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 4.986 -3.637 0.143) 6.173 1.850 ( 4.986 3.637 0.143) 6.173 2.107 ( -4.735 -3.792 3.568) 7.038 2.107 ( -4.735 3.792 3.568) 7.038 2.354 ( 3.124 -3.480 0.213) 4.682 2.354 ( 3.124 3.480 0.213) 4.682 2.610 ( 1.169 -1.491 -2.296) 2.977 2.610 ( 1.169 1.491 -2.296) 2.977 2.960 ( 0.076 -3.039 -2.009) 3.643 2.960 ( 0.076 3.039 -2.009) 3.643 3.516 ( -5.754 -5.202 -6.514) 10.129 3.516 ( -5.754 5.202 -6.514) 10.129 3.988 ( -0.257 -4.730 3.132) 5.679 3.988 ( -0.257 4.730 3.132) 5.679 4.371 ( -1.999 -8.612 5.410) 10.364 4.371 ( -1.999 8.612 5.409) 10.364 4.649 ( -0.915 -4.721 -2.515) 5.427 4.649 ( -0.915 4.721 -2.515) 5.427 5.144 ( -9.595 -10.443 0.172) 14.183 5.144 ( -9.595 10.443 0.172) 14.183 6.055 ( 1.629 -4.128 3.155) 5.445 6.055 ( 1.629 4.128 3.155) 5.445 6.526 ( -2.568 -4.140 -3.968) 6.284 6.526 ( -2.568 4.140 -3.968) 6.284 6.875 ( 4.093 -7.207 1.432) 8.411 6.875 ( 4.093 7.207 1.432) 8.411 7.200 ( -3.145 -3.331 -0.263) 4.589 7.200 ( -3.145 3.331 -0.263) 4.589 8.005 ( 0.544 -2.036 1.286) 2.469 8.005 ( 0.544 2.036 1.286) 2.469 8.276 ( 1.018 -6.971 -1.387) 7.180 8.276 ( 1.018 6.971 -1.387) 7.180 8.631 ( 2.226 -11.843 5.685) 13.324 8.631 ( 2.226 11.843 5.685) 13.324 8.997 ( -1.036 -5.729 -4.518) 7.369 8.997 ( -1.036 5.729 -4.518) 7.369 10.370 ( 6.108 -6.154 -0.064) 8.671 10.370 ( 6.108 6.154 -0.064) 8.671 10.696 ( 3.610 -0.919 -5.842) 6.929 10.696 ( 3.610 0.919 -5.842) 6.929 11.299 ( -5.437 -7.479 5.794) 10.912 11.299 ( -5.437 7.479 5.794) 10.912 11.857 ( 2.477 -4.518 -0.696) 5.200 11.857 ( 2.477 4.518 -0.696) 5.200 13.318 ( -3.936 -7.294 -2.055) 8.539 13.318 ( -3.936 7.294 -2.055) 8.539 13.628 ( -0.658 -2.270 1.455) 2.775 13.628 ( -0.658 2.270 1.455) 2.775 15.037 ( 4.285 -2.465 -5.020) 7.045 15.037 ( 4.285 2.465 -5.020) 7.045 15.950 ( -5.198 -8.080 -0.552) 9.623 15.950 ( -5.198 8.080 -0.552) 9.623 16.643 ( 15.319 -2.388 0.847) 15.527 16.643 ( 15.319 2.388 0.847) 15.527 17.413 ( -1.815 -2.547 4.681) 5.629 17.413 ( -1.815 2.547 4.681) 5.629 17.993 ( -9.424 -19.293 -3.824) 21.809 17.993 ( -9.424 19.293 -3.824) 21.809 21.821 ( -1.184 -0.529 2.375) 2.706 21.821 ( -1.184 0.529 2.375) 2.706 ======================= Grid point 54 (30/170) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 1.958 -1.655 1.229) 2.843 1.922 ( 1.958 1.655 1.229) 2.843 2.135 ( 1.509 -4.954 3.836) 6.444 2.135 ( 1.509 4.954 3.836) 6.444 2.353 ( -0.353 -1.991 -3.152) 3.744 2.353 ( -0.353 1.991 -3.152) 3.744 2.618 ( 0.518 -4.253 0.206) 4.289 2.618 ( 0.518 4.253 0.206) 4.289 2.952 ( 0.691 -0.394 0.106) 0.803 2.952 ( 0.691 0.394 0.106) 0.803 3.317 ( -6.307 -4.153 -5.428) 9.300 3.317 ( -6.307 4.153 -5.428) 9.300 4.026 ( 0.759 -7.634 1.241) 7.771 4.026 ( 0.759 7.634 1.241) 7.771 4.405 ( -0.856 -8.678 3.508) 9.399 4.405 ( -0.856 8.678 3.508) 9.399 4.646 ( 2.001 -3.446 -1.117) 4.139 4.646 ( 2.001 3.446 -1.117) 4.139 5.011 ( -5.089 -10.427 -0.644) 11.620 5.011 ( -5.089 10.427 -0.644) 11.620 6.114 ( 1.303 -5.461 1.988) 5.956 6.114 ( 1.303 5.461 1.988) 5.956 6.451 ( -1.712 -1.724 -2.110) 3.218 6.451 ( -1.712 1.724 -2.110) 3.218 6.953 ( 2.488 -8.731 1.531) 9.207 6.953 ( 2.488 8.731 1.531) 9.207 7.145 ( -2.049 -3.001 -1.079) 3.791 7.145 ( -2.049 3.001 -1.079) 3.791 8.004 ( -0.385 -0.679 -0.317) 0.842 8.004 ( -0.385 0.679 -0.317) 0.842 8.290 ( 0.569 -2.244 0.597) 2.391 8.290 ( 0.569 2.244 0.597) 2.391 8.749 ( 3.209 -10.322 6.570) 12.649 8.749 ( 3.209 10.322 6.570) 12.649 8.907 ( -2.398 -7.688 -6.068) 10.083 8.907 ( -2.398 7.688 -6.068) 10.083 10.428 ( 1.837 -4.048 -0.780) 4.513 10.428 ( 1.837 4.048 -0.780) 4.513 10.676 ( 0.384 -3.936 -2.015) 4.438 10.676 ( 0.384 3.936 -2.015) 4.438 11.299 ( -1.293 -7.127 2.692) 7.727 11.299 ( -1.293 7.127 2.692) 7.727 11.895 ( 1.922 -1.161 -0.185) 2.253 11.895 ( 1.922 1.161 -0.185) 2.253 13.252 ( -1.839 -9.139 -0.750) 9.353 13.252 ( -1.839 9.140 -0.750) 9.353 13.627 ( -0.387 -2.085 0.234) 2.133 13.627 ( -0.387 2.085 0.234) 2.133 15.056 ( 2.112 -1.228 -1.644) 2.945 15.056 ( 2.112 1.228 -1.644) 2.945 15.877 ( -2.401 -7.654 -0.483) 8.036 15.877 ( -2.401 7.654 -0.483) 8.036 16.857 ( 8.031 -4.432 0.696) 9.199 16.857 ( 8.031 4.432 0.696) 9.199 17.432 ( -0.797 -2.021 2.496) 3.309 17.432 ( -0.797 2.021 2.496) 3.309 17.823 ( -5.569 -20.721 -2.450) 21.596 17.823 ( -5.569 20.721 -2.450) 21.596 21.825 ( -0.470 -0.252 0.896) 1.042 21.825 ( -0.470 0.252 0.896) 1.042 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -10.159 0.000 26.474) 28.356 0.606 ( -1.923 0.000 28.797) 28.861 0.926 ( 14.422 0.000 43.210) 45.553 1.810 ( -0.866 0.000 2.766) 2.898 2.463 ( 1.135 0.000 -9.482) 9.550 2.479 ( 4.909 0.000 -12.150) 13.104 2.745 ( 1.941 0.000 1.303) 2.338 2.781 ( 4.719 0.000 -2.940) 5.560 3.234 ( 4.281 0.000 -6.561) 7.834 3.339 ( 0.809 0.000 -0.289) 0.859 3.598 ( -12.310 0.000 -10.939) 16.468 3.979 ( -40.800 0.000 5.122) 41.120 4.074 ( 10.043 0.000 11.980) 15.632 4.297 ( -1.873 0.000 -2.758) 3.334 4.384 ( -19.174 0.000 6.536) 20.258 4.536 ( -2.632 0.000 -5.588) 6.177 4.675 ( 3.065 0.000 1.762) 3.536 4.891 ( 7.270 0.000 1.817) 7.494 5.405 ( -5.319 0.000 -1.567) 5.545 5.664 ( 8.243 0.000 5.945) 10.163 5.993 ( 2.536 0.000 -6.316) 6.806 6.154 ( -0.713 0.000 -3.559) 3.630 6.165 ( -5.353 0.000 -0.910) 5.429 6.643 ( 5.183 0.000 -10.603) 11.801 7.004 ( 6.249 0.000 5.520) 8.338 7.211 ( -1.850 0.000 -2.539) 3.142 7.431 ( -2.418 0.000 4.685) 5.272 7.524 ( 0.029 0.000 2.957) 2.957 7.782 ( 3.071 0.000 3.709) 4.816 7.840 ( -5.202 0.000 -1.060) 5.308 7.969 ( 6.720 0.000 -6.597) 9.417 8.046 ( 2.177 0.000 3.556) 4.170 8.384 ( -1.415 0.000 7.052) 7.193 8.443 ( -3.242 0.000 -6.148) 6.951 8.652 ( 4.219 0.000 3.271) 5.339 8.869 ( 1.951 0.000 -7.307) 7.563 9.655 ( 1.106 0.000 5.279) 5.393 9.910 ( 19.210 0.000 -0.507) 19.217 10.941 ( -4.168 0.000 -3.454) 5.414 11.032 ( -2.210 0.000 -0.347) 2.237 11.761 ( 3.155 0.000 -1.689) 3.578 11.894 ( 2.591 0.000 -9.554) 9.899 12.536 ( -13.758 0.000 -1.222) 13.812 12.618 ( 12.212 0.000 -1.517) 12.306 12.678 ( 32.696 0.000 6.261) 33.290 12.709 ( 8.440 0.000 3.528) 9.148 13.604 ( -5.931 0.000 6.975) 9.156 14.308 ( 5.267 0.000 -4.107) 6.679 14.844 ( -0.472 0.000 3.415) 3.447 15.355 ( 2.481 0.000 -5.001) 5.582 15.740 ( -5.735 0.000 2.932) 6.440 15.903 ( 5.945 0.000 -0.776) 5.996 15.961 ( -45.890 0.000 1.882) 45.928 16.568 ( 7.208 0.000 -1.355) 7.334 16.772 ( -1.512 0.000 -13.188) 13.274 17.075 ( -6.040 0.000 -12.770) 14.126 17.960 ( 2.266 0.000 19.898) 20.027 19.031 ( 15.004 0.000 -3.691) 15.451 21.717 ( 0.359 0.000 4.545) 4.560 21.816 ( 0.082 0.000 3.204) 3.205 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 11.935 0.000 19.619) 22.964 0.945 ( 6.211 0.000 23.772) 24.570 1.688 ( 24.034 0.000 29.951) 38.402 1.880 ( 7.187 0.000 -1.103) 7.271 2.347 ( -0.857 0.000 -11.351) 11.383 2.423 ( 3.421 0.000 -10.331) 10.883 2.769 ( -1.340 0.000 1.569) 2.063 2.799 ( 1.864 0.000 -4.439) 4.815 3.213 ( -17.936 0.000 -11.205) 21.148 3.280 ( 5.565 0.000 -3.272) 6.456 3.389 ( -0.075 0.000 9.123) 9.123 3.643 ( -14.525 0.000 17.481) 22.728 4.092 ( -4.363 0.000 -15.479) 16.082 4.273 ( -7.952 0.000 5.388) 9.605 4.370 ( 2.888 0.000 10.518) 10.907 4.519 ( 4.276 0.000 2.507) 4.957 4.770 ( 2.989 0.000 5.416) 6.186 4.837 ( -7.294 0.000 -9.144) 11.697 5.255 ( -10.426 0.000 1.122) 10.486 5.877 ( 5.517 0.000 1.803) 5.804 5.880 ( -6.488 0.000 -5.248) 8.344 6.120 ( 5.129 0.000 -1.719) 5.409 6.156 ( 5.331 0.000 -5.699) 7.803 6.655 ( 7.761 0.000 -9.345) 12.147 7.156 ( -0.701 0.000 -1.082) 1.289 7.195 ( 7.373 0.000 5.544) 9.225 7.425 ( -3.685 0.000 2.986) 4.742 7.546 ( -1.955 0.000 3.622) 4.116 7.740 ( -6.718 0.000 1.253) 6.834 7.792 ( -12.554 0.000 -8.867) 15.370 7.867 ( 1.194 0.000 5.253) 5.387 8.142 ( 5.547 0.000 0.333) 5.557 8.326 ( -2.074 0.000 -5.747) 6.110 8.432 ( -3.069 0.000 7.844) 8.423 8.703 ( -0.157 0.000 0.797) 0.813 8.890 ( 7.439 0.000 -5.936) 9.517 9.765 ( 4.566 0.000 5.976) 7.520 10.008 ( 3.462 0.000 -1.636) 3.829 10.841 ( -2.898 0.000 -4.233) 5.130 10.969 ( -3.023 0.000 -4.239) 5.207 11.764 ( -1.103 0.000 -0.639) 1.275 11.771 ( -6.168 0.000 -5.892) 8.530 12.206 ( -19.799 0.000 -1.533) 19.858 12.487 ( -15.463 0.000 -0.511) 15.471 12.892 ( 6.923 0.000 0.207) 6.926 13.228 ( 23.306 0.000 -7.189) 24.390 13.722 ( 14.083 0.000 -1.150) 14.130 14.317 ( 0.996 0.000 -2.193) 2.409 14.935 ( 5.583 0.000 4.308) 7.051 15.195 ( -17.993 0.000 -0.755) 18.009 15.450 ( -8.961 0.000 6.597) 11.128 15.891 ( 2.840 0.000 6.256) 6.871 16.059 ( 10.763 0.000 4.522) 11.674 16.502 ( -7.364 0.000 -21.308) 22.545 16.724 ( 8.575 0.000 3.223) 9.160 16.908 ( -0.263 0.000 -8.943) 8.947 18.194 ( 0.291 0.000 18.339) 18.342 19.132 ( 7.971 0.000 -14.183) 16.269 21.780 ( 0.537 0.000 5.323) 5.350 21.848 ( -0.603 0.000 3.158) 3.215 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 13.904 0.000 12.193) 18.493 1.288 ( 7.870 0.000 17.905) 19.558 1.971 ( 8.244 0.000 -7.039) 10.840 2.161 ( 10.062 0.000 -6.571) 12.017 2.216 ( -3.369 0.000 1.670) 3.761 2.366 ( 0.797 0.000 -6.993) 7.039 2.687 ( -4.311 0.000 -7.570) 8.712 2.784 ( 1.170 0.000 0.027) 1.170 2.926 ( -8.573 0.000 2.969) 9.073 3.345 ( 2.795 0.000 3.942) 4.832 3.536 ( 2.785 0.000 12.892) 13.189 3.756 ( 2.208 0.000 14.476) 14.643 3.788 ( -8.195 0.000 -18.908) 20.607 4.200 ( -4.760 0.000 1.311) 4.938 4.498 ( 3.477 0.000 4.850) 5.967 4.596 ( -7.806 0.000 -6.535) 10.181 4.661 ( 4.682 0.000 6.659) 8.140 4.812 ( -6.757 0.000 2.729) 7.287 5.109 ( -10.074 0.000 3.139) 10.551 5.698 ( -9.571 0.000 -4.135) 10.426 5.883 ( 0.278 0.000 -1.393) 1.421 6.174 ( 5.117 0.000 -6.624) 8.371 6.249 ( 7.790 0.000 -1.486) 7.931 6.675 ( 6.199 0.000 -8.074) 10.179 7.217 ( 6.413 0.000 4.234) 7.685 7.302 ( -6.387 0.000 7.391) 9.769 7.382 ( -2.116 0.000 -1.779) 2.765 7.539 ( -5.971 0.000 -2.433) 6.448 7.541 ( -3.449 0.000 3.751) 5.096 7.652 ( -6.858 0.000 2.758) 7.392 7.935 ( 0.641 0.000 4.537) 4.582 8.187 ( -0.183 0.000 -1.210) 1.224 8.202 ( -4.740 0.000 -8.331) 9.585 8.457 ( -2.599 0.000 5.335) 5.934 8.663 ( -3.550 0.000 -2.745) 4.488 8.960 ( 9.253 0.000 -5.508) 10.768 9.904 ( 6.439 0.000 0.964) 6.510 10.060 ( 4.036 0.000 -0.221) 4.042 10.772 ( -1.857 0.000 0.241) 1.873 10.831 ( -5.674 0.000 -7.919) 9.742 11.618 ( -9.733 0.000 3.014) 10.189 11.704 ( -7.829 0.000 2.279) 8.154 11.952 ( -7.913 0.000 -0.641) 7.939 12.230 ( -12.015 0.000 -3.447) 12.500 12.914 ( -0.941 0.000 -4.555) 4.652 13.362 ( 2.435 0.000 -1.986) 3.142 13.947 ( 18.102 0.000 -6.826) 19.347 14.321 ( 1.450 0.000 0.297) 1.480 14.956 ( -12.536 0.000 2.453) 12.774 15.077 ( 5.491 0.000 3.820) 6.690 15.458 ( 1.997 0.000 1.443) 2.464 16.001 ( 1.437 0.000 6.951) 7.098 16.118 ( -8.167 0.000 -19.206) 20.870 16.357 ( 13.913 0.000 8.155) 16.127 16.848 ( 4.937 0.000 -9.443) 10.656 16.904 ( 7.953 0.000 5.362) 9.592 18.344 ( -4.929 0.000 14.850) 15.647 19.027 ( -0.158 0.000 -14.551) 14.552 21.839 ( 0.031 0.000 4.260) 4.260 21.862 ( -1.096 0.000 1.874) 2.170 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 10.732 0.000 4.623) 11.686 1.587 ( 9.539 0.000 11.500) 14.941 1.963 ( 3.348 0.000 -10.614) 11.129 2.052 ( -2.208 0.000 -7.098) 7.434 2.220 ( -0.104 0.000 -3.119) 3.121 2.312 ( 1.189 0.000 -1.401) 1.838 2.658 ( 7.869 0.000 -1.415) 7.995 2.780 ( -1.723 0.000 -3.669) 4.053 2.879 ( -6.566 0.000 4.616) 8.026 3.289 ( -14.075 0.000 -1.439) 14.148 3.463 ( -7.710 0.000 -15.039) 16.900 3.780 ( 6.873 0.000 13.090) 14.785 3.886 ( 1.541 0.000 5.530) 5.740 4.303 ( 10.119 0.000 10.944) 14.906 4.508 ( 0.193 0.000 0.892) 0.912 4.512 ( -14.810 0.000 -4.723) 15.545 4.648 ( -0.832 0.000 -0.445) 0.944 4.782 ( 0.287 0.000 7.018) 7.024 4.993 ( -7.075 0.000 0.459) 7.089 5.491 ( -10.133 0.000 -4.356) 11.030 5.923 ( 3.241 0.000 2.897) 4.347 6.180 ( 4.253 0.000 -5.747) 7.150 6.304 ( 2.167 0.000 -1.490) 2.630 6.666 ( 2.874 0.000 -7.038) 7.603 7.199 ( -9.501 0.000 4.865) 10.674 7.309 ( -5.801 0.000 1.729) 6.053 7.348 ( -1.329 0.000 2.912) 3.201 7.517 ( -4.976 0.000 3.854) 6.295 7.536 ( 0.578 0.000 -0.437) 0.725 7.640 ( 3.009 0.000 5.896) 6.620 7.988 ( -0.180 0.000 4.522) 4.525 8.005 ( -6.211 0.000 -8.998) 10.933 8.123 ( -4.347 0.000 -1.342) 4.550 8.462 ( -1.185 0.000 1.033) 1.572 8.556 ( -3.306 0.000 -5.092) 6.071 9.054 ( 8.387 0.000 -4.294) 9.423 9.946 ( 3.124 0.000 -7.174) 7.825 10.112 ( 3.296 0.000 -1.946) 3.828 10.649 ( -6.443 0.000 -5.360) 8.381 10.818 ( 2.172 0.000 7.150) 7.473 11.535 ( -8.834 0.000 8.527) 12.278 11.592 ( -9.071 0.000 3.429) 9.698 11.952 ( 3.786 0.000 5.696) 6.840 12.048 ( -3.746 0.000 -6.441) 7.451 12.781 ( -5.743 0.000 -9.073) 10.738 13.319 ( -4.917 0.000 -0.479) 4.940 14.140 ( 15.698 0.000 -8.146) 17.686 14.372 ( 3.386 0.000 1.215) 3.598 14.830 ( -7.778 0.000 4.003) 8.748 15.172 ( 1.750 0.000 2.670) 3.193 15.515 ( 2.959 0.000 1.002) 3.124 15.806 ( -5.986 0.000 -14.671) 15.846 16.085 ( -0.464 0.000 7.134) 7.149 16.714 ( 14.321 0.000 12.827) 19.226 16.856 ( 9.989 0.000 -10.897) 14.783 17.092 ( 7.907 0.000 5.539) 9.654 18.342 ( -12.236 0.000 9.858) 15.713 18.840 ( -3.523 0.000 -13.267) 13.727 21.855 ( -1.041 0.000 0.237) 1.068 21.869 ( -0.593 0.000 2.042) 2.127 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 8.241 0.000 -0.952) 8.296 1.811 ( 10.505 0.000 -4.627) 11.479 1.950 ( 3.532 0.000 4.030) 5.359 2.000 ( 0.253 0.000 1.232) 1.258 2.184 ( -0.169 0.000 -4.773) 4.776 2.385 ( 6.085 0.000 1.757) 6.334 2.646 ( -5.112 0.000 -7.414) 9.005 2.732 ( -10.899 0.000 -5.877) 12.382 2.865 ( 11.070 0.000 8.690) 14.073 2.993 ( -15.964 0.000 -1.427) 16.027 3.269 ( -3.184 0.000 -3.889) 5.026 3.898 ( 3.659 0.000 -2.253) 4.297 4.058 ( 2.137 0.000 13.897) 14.060 4.080 ( -20.424 0.000 -10.725) 23.069 4.502 ( 1.006 0.000 4.890) 4.992 4.668 ( 11.580 0.000 7.466) 13.778 4.688 ( 1.474 0.000 -0.137) 1.481 4.784 ( -9.150 0.000 7.330) 11.725 4.944 ( 3.753 0.000 -3.950) 5.449 5.282 ( -8.717 0.000 -5.870) 10.509 6.016 ( 2.605 0.000 4.110) 4.866 6.194 ( 3.715 0.000 -3.024) 4.790 6.319 ( 0.299 0.000 1.625) 1.652 6.633 ( 1.222 0.000 -3.883) 4.070 7.123 ( -6.882 0.000 3.873) 7.897 7.243 ( -6.941 0.000 -4.419) 8.228 7.283 ( -2.438 0.000 6.793) 7.217 7.431 ( -7.923 0.000 -7.235) 10.729 7.468 ( -6.223 0.000 3.536) 7.158 7.752 ( -0.657 0.000 2.904) 2.978 7.886 ( 1.124 0.000 -4.584) 4.720 8.030 ( -0.987 0.000 5.281) 5.372 8.105 ( 3.313 0.000 1.736) 3.741 8.449 ( -1.232 0.000 1.127) 1.670 8.469 ( -0.541 0.000 -4.654) 4.685 9.124 ( 5.546 0.000 -3.543) 6.581 9.905 ( 2.815 0.000 -6.354) 6.950 10.126 ( 2.480 0.000 -2.587) 3.583 10.534 ( -3.599 0.000 -1.506) 3.901 10.950 ( 3.219 0.000 7.048) 7.748 11.477 ( -8.587 0.000 1.103) 8.657 11.497 ( -8.235 0.000 8.648) 11.942 11.970 ( 2.554 0.000 -6.669) 7.141 12.160 ( 7.752 0.000 10.826) 13.315 12.563 ( -6.592 0.000 -9.731) 11.753 13.231 ( -5.543 0.000 1.407) 5.719 14.258 ( 11.393 0.000 -10.844) 15.729 14.428 ( 3.045 0.000 -2.085) 3.690 14.794 ( -4.724 0.000 7.926) 9.227 15.202 ( -0.751 0.000 2.311) 2.430 15.567 ( 1.604 0.000 1.811) 2.419 15.636 ( -1.529 0.000 -4.261) 4.527 16.142 ( -2.098 0.000 6.971) 7.280 16.872 ( 5.511 0.000 -6.487) 8.512 17.103 ( 18.767 0.000 4.317) 19.257 17.261 ( 5.822 0.000 3.920) 7.019 18.176 ( -18.517 0.000 6.511) 19.628 18.653 ( -2.243 0.000 -11.001) 11.228 21.837 ( -0.507 0.000 -1.091) 1.203 21.866 ( -0.769 0.000 -0.461) 0.896 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.434 0.000 -6.065) 6.232 1.896 ( 8.806 0.000 -4.127) 9.725 2.021 ( -3.360 0.000 -0.656) 3.424 2.023 ( -1.708 0.000 2.526) 3.049 2.156 ( 5.935 0.000 -1.166) 6.048 2.475 ( -6.872 0.000 -5.477) 8.788 2.533 ( 7.468 0.000 -0.210) 7.471 2.583 ( 3.353 0.000 1.681) 3.751 2.793 ( -6.763 0.000 -2.330) 7.153 3.065 ( -5.586 0.000 7.078) 9.016 3.253 ( 3.094 0.000 4.358) 5.345 3.827 ( 1.835 0.000 1.200) 2.193 3.893 ( 0.154 0.000 -4.244) 4.247 4.176 ( -4.387 0.000 9.935) 10.860 4.531 ( -1.950 0.000 2.345) 3.050 4.670 ( -2.961 0.000 0.823) 3.074 4.721 ( -4.444 0.000 1.037) 4.564 4.832 ( -0.211 0.000 -0.627) 0.661 4.970 ( 3.877 0.000 -3.782) 5.416 5.119 ( -0.733 0.000 -5.259) 5.310 6.074 ( -0.687 0.000 3.280) 3.351 6.238 ( 3.584 0.000 0.303) 3.597 6.358 ( 0.104 0.000 5.026) 5.027 6.627 ( 1.229 0.000 -1.308) 1.794 7.085 ( -2.493 0.000 4.866) 5.467 7.098 ( -1.673 0.000 -7.440) 7.626 7.183 ( -8.652 0.000 -6.772) 10.987 7.382 ( 3.220 0.000 4.371) 5.429 7.400 ( -4.148 0.000 -0.062) 4.148 7.702 ( -3.790 0.000 -2.525) 4.554 7.895 ( 3.152 0.000 -1.225) 3.382 8.072 ( -1.471 0.000 5.826) 6.009 8.172 ( 0.002 0.000 1.743) 1.743 8.442 ( 2.370 0.000 -2.976) 3.804 8.474 ( -0.072 0.000 5.293) 5.293 9.158 ( 3.052 0.000 -2.854) 4.179 9.932 ( 5.425 0.000 -0.364) 5.437 10.175 ( 4.075 0.000 3.086) 5.112 10.472 ( -1.202 0.000 -3.759) 3.947 11.032 ( -2.524 0.000 3.913) 4.656 11.360 ( -4.167 0.000 -1.263) 4.354 11.450 ( -7.613 0.000 6.178) 9.805 11.966 ( 4.516 0.000 -5.304) 6.966 12.176 ( -6.340 0.000 -11.069) 12.756 12.579 ( 6.177 0.000 13.440) 14.791 13.199 ( -2.072 0.000 4.748) 5.180 14.268 ( 6.819 0.000 -13.748) 15.346 14.401 ( 0.568 0.000 -8.220) 8.240 14.846 ( -2.602 0.000 11.667) 11.954 15.214 ( -1.234 0.000 2.938) 3.187 15.607 ( -0.198 0.000 3.547) 3.553 15.677 ( 3.921 0.000 7.969) 8.881 16.168 ( -3.862 0.000 6.536) 7.592 16.849 ( 2.023 0.000 -9.674) 9.883 17.326 ( -0.908 0.000 -1.032) 1.375 17.377 ( 14.036 0.000 -6.174) 15.334 17.949 ( -17.966 0.000 10.332) 20.725 18.571 ( 5.042 0.000 -6.312) 8.078 21.817 ( 0.092 0.000 -2.054) 2.056 21.839 ( -0.453 0.000 -2.515) 2.556 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -2.948 0.000 -7.249) 7.826 1.779 ( -12.133 0.000 -8.802) 14.990 2.080 ( 8.968 0.000 5.118) 10.326 2.113 ( 2.562 0.000 7.794) 8.204 2.201 ( 1.892 0.000 -3.488) 3.968 2.340 ( -1.218 0.000 -6.782) 6.890 2.620 ( 2.833 0.000 -3.650) 4.620 2.694 ( 3.119 0.000 -7.611) 8.225 2.828 ( 13.196 0.000 11.907) 17.774 2.908 ( -13.061 0.000 1.637) 13.163 3.453 ( 9.144 0.000 12.864) 15.782 3.811 ( -5.234 0.000 -3.906) 6.530 4.094 ( 16.062 0.000 9.092) 18.457 4.126 ( -9.181 0.000 2.363) 9.480 4.490 ( -8.039 0.000 -0.021) 8.039 4.627 ( -1.451 0.000 -6.135) 6.304 4.643 ( -10.534 0.000 -5.431) 11.851 4.660 ( -2.888 0.000 3.343) 4.418 4.979 ( 1.818 0.000 -3.015) 3.521 5.174 ( 9.346 0.000 -2.390) 9.647 6.070 ( -3.963 0.000 3.667) 5.400 6.309 ( 2.738 0.000 2.567) 3.753 6.432 ( 0.479 0.000 7.550) 7.565 6.647 ( 3.225 0.000 -0.800) 3.323 7.015 ( -1.990 0.000 -7.368) 7.632 7.049 ( 5.506 0.000 -7.519) 9.320 7.158 ( 1.836 0.000 7.983) 8.191 7.348 ( 0.312 0.000 -3.493) 3.507 7.458 ( 3.052 0.000 -1.322) 3.326 7.592 ( -4.560 0.000 -5.073) 6.822 7.975 ( 5.018 0.000 4.683) 6.864 8.102 ( -2.734 0.000 5.073) 5.763 8.157 ( -3.207 0.000 2.628) 4.147 8.476 ( 4.492 0.000 -1.330) 4.685 8.520 ( -1.913 0.000 4.531) 4.918 9.154 ( 0.722 0.000 -3.751) 3.820 10.061 ( 6.319 0.000 5.131) 8.140 10.277 ( -3.631 0.000 6.099) 7.098 10.467 ( 11.095 0.000 -2.647) 11.406 10.912 ( -10.591 0.000 -3.336) 11.104 11.350 ( 2.366 0.000 -0.521) 2.423 11.386 ( -6.769 0.000 3.296) 7.529 11.955 ( -4.621 0.000 -8.661) 9.817 11.988 ( 4.650 0.000 -4.261) 6.307 12.830 ( 4.592 0.000 14.031) 14.763 13.268 ( 1.640 0.000 7.872) 8.041 14.194 ( 4.205 0.000 -15.597) 16.154 14.289 ( -0.329 0.000 -11.357) 11.362 14.949 ( -2.270 0.000 14.090) 14.271 15.219 ( -1.812 0.000 2.003) 2.701 15.638 ( -2.345 0.000 5.786) 6.243 15.914 ( 7.731 0.000 16.657) 18.364 16.158 ( -5.850 0.000 5.756) 8.207 16.717 ( -3.224 0.000 -12.396) 12.808 17.205 ( -7.208 0.000 -7.758) 10.590 17.367 ( -1.836 0.000 -9.490) 9.666 17.899 ( -3.070 0.000 8.305) 8.855 18.683 ( 12.779 0.000 -0.845) 12.807 21.796 ( 0.564 0.000 -2.728) 2.786 21.800 ( -0.075 0.000 -3.667) 3.667 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -14.882 0.000 -6.345) 16.178 1.526 ( -6.925 0.000 -6.045) 9.192 2.159 ( -0.341 0.000 6.610) 6.618 2.264 ( 7.917 0.000 -4.101) 8.916 2.298 ( 7.838 0.000 1.878) 8.060 2.337 ( 3.587 0.000 9.101) 9.782 2.587 ( 2.295 0.000 -5.712) 6.156 2.636 ( 1.739 0.000 -11.578) 11.707 2.726 ( -9.128 0.000 -2.274) 9.407 3.166 ( 9.820 0.000 7.084) 12.109 3.612 ( -13.496 0.000 -5.801) 14.690 3.799 ( 12.867 0.000 16.104) 20.613 3.957 ( -12.516 0.000 -3.274) 12.938 4.247 ( -7.866 0.000 -1.842) 8.079 4.309 ( 2.851 0.000 -5.712) 6.384 4.571 ( 2.201 0.000 0.176) 2.208 4.595 ( -0.156 0.000 6.095) 6.097 4.695 ( 2.714 0.000 2.698) 3.827 4.964 ( 0.067 0.000 -2.244) 2.245 5.328 ( 12.574 0.000 -1.817) 12.705 6.050 ( -4.064 0.000 5.218) 6.614 6.361 ( -0.033 0.000 2.472) 2.472 6.521 ( -1.313 0.000 8.418) 8.520 6.716 ( 6.402 0.000 -2.173) 6.761 6.956 ( 3.427 0.000 -5.633) 6.594 7.075 ( 5.753 0.000 -7.245) 9.251 7.288 ( 2.854 0.000 7.478) 8.004 7.337 ( 4.352 0.000 -4.653) 6.371 7.466 ( 2.442 0.000 -2.969) 3.844 7.478 ( -1.946 0.000 -3.821) 4.289 8.079 ( -6.009 0.000 4.427) 7.463 8.143 ( 6.980 0.000 6.751) 9.711 8.156 ( 0.233 0.000 0.535) 0.583 8.500 ( -5.391 0.000 2.980) 6.160 8.546 ( 5.154 0.000 -0.742) 5.207 9.098 ( -1.313 0.000 -5.475) 5.631 10.147 ( -4.798 0.000 1.030) 4.908 10.181 ( -6.038 0.000 -4.572) 7.574 10.768 ( 0.567 0.000 0.593) 0.821 10.774 ( 16.876 0.000 11.743) 20.559 11.310 ( -4.716 0.000 0.522) 4.745 11.365 ( 1.257 0.000 -2.509) 2.806 11.879 ( 1.601 0.000 -1.484) 2.183 12.027 ( 5.745 0.000 -3.878) 6.932 13.014 ( 1.136 0.000 10.929) 10.988 13.399 ( 2.330 0.000 8.860) 9.162 14.072 ( 3.119 0.000 -17.425) 17.702 14.171 ( 1.527 0.000 -10.965) 11.071 15.071 ( -3.070 0.000 15.668) 15.966 15.190 ( -3.306 0.000 -0.045) 3.307 15.658 ( -4.787 0.000 8.692) 9.923 16.103 ( -7.869 0.000 4.532) 9.081 16.228 ( 6.590 0.000 12.726) 14.331 16.523 ( -4.438 0.000 -4.835) 6.563 16.969 ( -7.712 0.000 -11.723) 14.033 17.229 ( -5.426 0.000 -2.619) 6.025 17.925 ( 0.778 0.000 -2.517) 2.634 18.923 ( 15.546 0.000 1.489) 15.617 21.758 ( -0.105 0.000 -3.748) 3.749 21.776 ( 0.885 0.000 -2.922) 3.053 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -18.853 0.000 -4.081) 19.290 1.245 ( -17.699 0.000 -8.117) 19.472 2.241 ( -15.255 0.000 5.992) 16.390 2.337 ( -8.422 0.000 1.658) 8.583 2.388 ( 5.799 0.000 -1.971) 6.125 2.409 ( 3.578 0.000 3.606) 5.080 2.518 ( 9.131 0.000 -10.499) 13.914 2.557 ( 2.070 0.000 -5.614) 5.984 2.785 ( 16.706 0.000 5.818) 17.690 3.120 ( -10.800 0.000 -9.178) 14.173 3.388 ( -4.379 0.000 -4.358) 6.178 3.751 ( -8.028 0.000 0.887) 8.077 4.171 ( 2.757 0.000 -5.668) 6.303 4.181 ( 6.157 0.000 8.826) 10.761 4.251 ( -1.054 0.000 6.794) 6.875 4.600 ( -2.125 0.000 1.641) 2.685 4.759 ( 9.557 0.000 10.989) 14.563 4.763 ( 0.793 0.000 0.718) 1.070 4.952 ( 3.118 0.000 -2.439) 3.958 5.536 ( 14.807 0.000 -0.994) 14.841 6.046 ( -3.843 0.000 4.249) 5.729 6.360 ( -1.954 0.000 0.338) 1.983 6.521 ( -8.548 0.000 4.280) 9.560 6.767 ( 4.409 0.000 -4.886) 6.581 6.989 ( 6.363 0.000 -4.291) 7.675 7.069 ( 3.299 0.000 -3.238) 4.622 7.385 ( 3.037 0.000 2.033) 3.655 7.399 ( 6.128 0.000 -1.794) 6.386 7.472 ( 3.859 0.000 -0.224) 3.865 7.533 ( 4.999 0.000 5.454) 7.399 8.021 ( -5.531 0.000 2.183) 5.947 8.156 ( 2.449 0.000 -4.939) 5.513 8.307 ( 5.610 0.000 3.435) 6.578 8.428 ( -8.424 0.000 4.915) 9.753 8.608 ( 3.758 0.000 -1.920) 4.220 9.002 ( -2.166 0.000 -6.573) 6.921 9.940 ( -12.735 0.000 -5.787) 13.988 10.017 ( -4.228 0.000 -9.949) 10.810 10.948 ( 7.256 0.000 12.448) 14.409 11.108 ( -0.241 0.000 9.719) 9.722 11.361 ( 15.617 0.000 7.050) 17.134 11.363 ( 6.643 0.000 -7.049) 9.685 11.942 ( 5.139 0.000 1.933) 5.490 12.085 ( 7.368 0.000 -5.072) 8.945 13.096 ( -3.225 0.000 6.932) 7.645 13.499 ( -0.663 0.000 4.409) 4.459 13.919 ( 2.689 0.000 -18.494) 18.688 14.118 ( 5.231 0.000 -8.416) 9.909 15.109 ( -5.571 0.000 -1.677) 5.818 15.180 ( -4.588 0.000 15.225) 15.901 15.685 ( -6.066 0.000 13.287) 14.606 16.005 ( -9.349 0.000 3.023) 9.826 16.173 ( -5.543 0.000 -10.535) 11.904 16.687 ( 6.358 0.000 16.677) 17.847 16.740 ( -4.657 0.000 -10.435) 11.427 17.165 ( -2.976 0.000 4.777) 5.628 17.857 ( -1.127 0.000 -9.055) 9.125 19.185 ( 15.082 0.000 0.060) 15.083 21.717 ( -0.569 0.000 -2.746) 2.805 21.763 ( 0.996 0.000 -2.232) 2.445 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -22.976 0.000 0.820) 22.991 0.816 ( -23.588 0.000 -7.853) 24.861 1.659 ( -45.414 0.000 -4.115) 45.600 2.088 ( -16.222 0.000 -0.279) 16.224 2.511 ( 2.539 0.000 1.979) 3.219 2.535 ( 6.800 0.000 -2.036) 7.098 2.559 ( 8.718 0.000 -6.996) 11.178 2.771 ( 13.505 0.000 7.239) 15.323 2.910 ( 2.231 0.000 -7.893) 8.202 3.208 ( 22.340 0.000 10.763) 24.798 3.294 ( -0.981 0.000 -3.882) 4.004 3.693 ( -6.899 0.000 9.122) 11.437 4.000 ( -3.286 0.000 -9.972) 10.500 4.283 ( -4.151 0.000 6.773) 7.944 4.461 ( 1.794 0.000 10.247) 10.403 4.549 ( -1.811 0.000 -0.022) 1.811 4.719 ( -3.735 0.000 -2.031) 4.252 5.049 ( 10.630 0.000 -0.104) 10.631 5.084 ( 13.284 0.000 10.618) 17.006 5.759 ( 14.102 0.000 -2.087) 14.256 5.970 ( -9.215 0.000 -1.148) 9.286 6.305 ( -3.100 0.000 -2.887) 4.237 6.379 ( -10.778 0.000 2.479) 11.060 6.765 ( 3.451 0.000 -6.169) 7.069 7.056 ( 4.854 0.000 1.380) 5.046 7.141 ( 5.048 0.000 2.127) 5.477 7.453 ( 2.933 0.000 -0.867) 3.059 7.463 ( 2.698 0.000 4.701) 5.420 7.574 ( 5.053 0.000 3.438) 6.111 7.694 ( 7.471 0.000 0.851) 7.519 7.956 ( -2.818 0.000 -1.356) 3.127 8.120 ( -0.043 0.000 -5.560) 5.561 8.356 ( -7.581 0.000 6.552) 10.020 8.381 ( 2.012 0.000 -1.036) 2.263 8.609 ( 0.351 0.000 -4.810) 4.823 8.895 ( -1.842 0.000 -5.986) 6.263 9.714 ( -8.074 0.000 -3.017) 8.620 9.828 ( -2.288 0.000 -15.629) 15.795 11.094 ( -4.231 0.000 2.514) 4.922 11.095 ( -5.797 0.000 9.777) 11.367 11.495 ( 18.033 0.000 -6.374) 19.126 11.813 ( 16.743 0.000 16.362) 23.410 12.087 ( 10.157 0.000 3.263) 10.668 12.154 ( 11.612 0.000 -8.516) 14.399 13.054 ( -9.002 0.000 3.199) 9.553 13.364 ( -7.114 0.000 -23.489) 24.543 13.798 ( -0.384 0.000 -6.171) 6.183 14.152 ( 8.327 0.000 -5.957) 10.238 14.987 ( -6.997 0.000 -1.273) 7.112 15.251 ( -4.280 0.000 11.378) 12.156 15.787 ( -1.840 0.000 18.698) 18.789 15.881 ( -9.674 0.000 3.809) 10.396 15.987 ( -3.894 0.000 -8.293) 9.162 16.622 ( -1.861 0.000 -0.491) 1.925 16.867 ( 2.654 0.000 1.863) 3.242 17.271 ( 1.641 0.000 13.705) 13.803 17.716 ( -3.277 0.000 -7.793) 8.454 19.374 ( 12.208 0.000 -8.360) 14.796 21.685 ( -0.891 0.000 -0.709) 1.139 21.762 ( 0.899 0.000 -0.481) 1.019 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -17.719 0.000 15.440) 23.502 0.508 ( -20.285 0.000 17.672) 26.903 0.916 ( -46.987 0.000 13.585) 48.911 1.874 ( -10.585 0.000 2.088) 10.789 2.526 ( 5.513 0.000 -11.508) 12.760 2.526 ( 0.329 0.000 -4.108) 4.121 2.676 ( 5.894 0.000 0.209) 5.898 2.758 ( 2.206 0.000 -5.925) 6.322 3.211 ( 10.915 0.000 -3.869) 11.581 3.323 ( 5.558 0.000 3.954) 6.821 3.674 ( 19.173 0.000 9.052) 21.202 3.851 ( -4.969 0.000 -4.378) 6.622 3.902 ( 18.017 0.000 39.266) 43.202 4.270 ( -5.182 0.000 5.247) 7.375 4.392 ( -6.642 0.000 -1.649) 6.844 4.619 ( 0.847 0.000 1.313) 1.563 4.640 ( -1.586 0.000 -2.630) 3.071 5.273 ( 13.881 0.000 2.950) 14.191 5.279 ( -1.233 0.000 -10.599) 10.671 5.744 ( -13.600 0.000 -2.573) 13.841 5.918 ( 11.282 0.000 -5.703) 12.642 6.214 ( -3.103 0.000 -2.384) 3.913 6.264 ( -7.638 0.000 2.276) 7.970 6.755 ( 3.948 0.000 -7.609) 8.573 7.153 ( -2.788 0.000 -4.117) 4.972 7.225 ( 2.385 0.000 0.285) 2.402 7.488 ( 1.534 0.000 1.069) 1.870 7.547 ( -16.921 0.000 -18.044) 24.737 7.647 ( 11.499 0.000 16.668) 20.249 7.685 ( 3.271 0.000 4.585) 5.633 7.908 ( 0.866 0.000 -4.910) 4.985 8.044 ( -5.889 0.000 2.423) 6.368 8.342 ( -2.552 0.000 5.693) 6.239 8.409 ( 5.909 0.000 1.255) 6.041 8.546 ( 0.432 0.000 -0.875) 0.976 8.871 ( 4.603 0.000 -0.752) 4.664 9.608 ( -3.666 0.000 -8.671) 9.414 9.625 ( -2.523 0.000 1.762) 3.077 11.042 ( -6.318 0.000 0.981) 6.394 11.062 ( -2.597 0.000 1.451) 2.975 11.685 ( 9.867 0.000 -2.527) 10.185 12.022 ( -1.486 0.000 -3.077) 3.417 12.351 ( 16.999 0.000 3.751) 17.408 12.394 ( 18.543 0.000 2.788) 18.751 12.709 ( -24.844 0.000 -38.521) 45.837 12.877 ( -15.473 0.000 0.856) 15.496 13.711 ( -9.523 0.000 2.605) 9.873 14.237 ( 8.896 0.000 -4.853) 10.133 14.877 ( -5.876 0.000 1.006) 5.962 15.313 ( 1.866 0.000 3.925) 4.346 15.764 ( -4.855 0.000 0.531) 4.884 15.884 ( 0.471 0.000 -4.977) 4.999 16.113 ( 14.219 0.000 15.321) 20.903 16.673 ( -2.399 0.000 10.330) 10.605 16.868 ( 0.947 0.000 -5.461) 5.542 17.305 ( -3.789 0.000 -9.346) 10.084 17.722 ( 0.818 0.000 15.757) 15.778 19.241 ( -9.272 0.000 -30.289) 31.677 21.680 ( -0.454 0.000 2.062) 2.111 21.782 ( 0.611 0.000 1.733) 1.838 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 6.652 18.532 11.021) 22.564 0.815 ( 1.923 16.386 18.802) 25.014 1.440 ( -1.344 34.527 27.551) 44.192 1.812 ( 0.617 0.147 1.764) 1.874 2.381 ( 3.366 -5.308 -10.794) 12.491 2.525 ( -0.029 1.485 -8.245) 8.377 2.713 ( 4.137 -3.352 -4.540) 6.998 2.804 ( 4.173 3.879 0.920) 5.771 3.157 ( 2.243 -9.425 1.104) 9.751 3.267 ( 2.470 -1.841 -6.883) 7.541 3.589 ( -11.089 -3.273 -5.543) 12.822 3.754 ( -21.017 -4.997 19.991) 29.434 4.039 ( 6.045 -5.472 6.642) 10.517 4.278 ( -6.038 -5.471 6.661) 10.524 4.300 ( 0.421 -0.959 -0.296) 1.089 4.509 ( 2.072 3.687 2.672) 5.003 4.552 ( -1.719 0.652 0.535) 1.914 4.952 ( 0.158 -4.916 -5.197) 7.155 5.419 ( 1.169 -0.934 -0.598) 1.612 5.882 ( 2.239 -7.777 -4.379) 9.202 5.971 ( -3.928 11.007 -8.218) 14.287 6.192 ( 1.238 2.863 -2.300) 3.875 6.269 ( -4.286 8.298 -3.966) 10.147 6.622 ( 5.213 -1.957 -6.860) 8.835 6.818 ( 0.962 -11.329 2.499) 11.642 7.188 ( -2.874 -2.722 -0.637) 4.009 7.396 ( -1.577 -1.307 5.361) 5.738 7.541 ( -0.332 0.170 3.337) 3.358 7.687 ( -0.259 -5.010 7.365) 8.911 7.813 ( 2.514 2.649 -0.608) 3.702 7.934 ( 0.102 2.849 0.693) 2.934 8.238 ( -0.485 6.129 -6.908) 9.248 8.459 ( -1.962 -1.055 -3.705) 4.323 8.490 ( -0.001 8.650 4.252) 9.639 8.796 ( 3.444 1.647 -4.200) 5.676 8.932 ( 4.744 9.890 -6.896) 12.957 9.681 ( 0.542 3.313 3.285) 4.697 9.917 ( 14.870 0.675 -0.383) 14.891 10.466 ( -4.508 -19.120 16.729) 25.802 10.923 ( -1.248 -11.077 0.826) 11.178 11.727 ( 1.617 -2.916 -2.667) 4.270 11.850 ( 1.205 -3.790 -8.928) 9.774 12.334 ( -9.589 -6.503 -0.793) 11.613 12.518 ( 4.139 -6.788 0.796) 7.991 12.854 ( 5.938 9.782 3.904) 12.091 13.175 ( 13.566 17.010 -4.592) 22.236 13.505 ( -7.923 -2.935 9.814) 12.950 14.215 ( 2.537 -8.047 -3.625) 9.183 14.895 ( 0.361 0.487 -3.195) 3.252 15.420 ( 2.835 1.797 -9.837) 10.394 15.724 ( -0.219 1.773 5.980) 6.241 15.838 ( -2.972 0.123 2.166) 3.680 16.074 ( -9.380 -1.177 -2.605) 9.806 16.634 ( 1.071 2.872 -0.405) 3.091 16.949 ( -3.640 14.012 -15.067) 20.895 17.056 ( -12.261 2.830 -8.829) 15.372 17.904 ( 3.800 -3.308 19.644) 20.280 19.119 ( 10.993 -0.370 -13.323) 17.277 21.739 ( 0.258 1.848 4.099) 4.504 21.816 ( 0.105 -0.135 3.302) 3.307 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 14.572 12.515 11.601) 22.440 1.164 ( 9.110 13.448 19.644) 25.490 1.769 ( 9.396 7.223 13.391) 17.882 1.942 ( 10.166 5.783 4.527) 12.542 2.294 ( 0.758 -3.240 -9.012) 9.607 2.439 ( 1.332 1.180 -8.959) 9.134 2.700 ( -1.137 -6.610 -2.152) 7.044 2.845 ( 0.733 4.639 -1.206) 4.849 3.156 ( -8.066 -6.332 -2.837) 10.640 3.248 ( 2.061 -2.167 -2.261) 3.749 3.409 ( -1.429 2.599 2.833) 4.102 3.628 ( -14.623 -0.305 17.687) 22.951 3.963 ( -4.546 -9.583 -12.781) 16.609 4.279 ( -6.741 -1.533 5.165) 8.630 4.404 ( 2.080 2.474 9.949) 10.461 4.535 ( 1.769 1.768 0.175) 2.507 4.632 ( 4.859 -0.793 7.187) 8.711 4.910 ( 0.050 -3.113 -8.932) 9.459 5.302 ( -11.446 2.407 -1.462) 11.788 5.776 ( -4.814 -6.783 -4.747) 9.576 5.939 ( 0.348 3.504 0.119) 3.524 6.160 ( -0.844 3.911 -4.020) 5.672 6.260 ( 8.383 7.486 -3.442) 11.754 6.657 ( 7.184 -0.143 -7.136) 10.127 6.934 ( 6.454 -15.489 4.113) 17.277 7.168 ( 1.627 -3.156 -0.849) 3.651 7.369 ( -8.937 -2.367 5.178) 10.596 7.559 ( -2.407 0.145 3.424) 4.188 7.642 ( -4.780 -0.823 -0.705) 4.901 7.881 ( 3.333 1.212 0.965) 3.675 7.936 ( -3.680 3.414 -0.098) 5.021 8.201 ( 3.010 4.592 -1.592) 5.717 8.336 ( -5.536 -0.180 -3.422) 6.511 8.534 ( -1.968 8.760 4.975) 10.265 8.822 ( 2.572 5.482 -1.968) 6.367 8.895 ( 2.433 4.226 -7.376) 8.842 9.791 ( 6.015 2.524 5.810) 8.735 10.005 ( 3.536 -0.328 -1.970) 4.061 10.610 ( 2.820 -13.536 1.570) 13.916 10.912 ( 0.032 -9.320 -1.196) 9.397 11.717 ( -0.138 -4.256 -1.063) 4.389 11.777 ( -0.835 -1.548 -7.067) 7.282 12.053 ( -20.057 -5.116 -1.492) 20.753 12.465 ( -12.143 -5.221 2.095) 13.383 12.954 ( 3.901 7.296 -0.408) 8.283 13.409 ( 16.400 9.961 -5.352) 19.920 13.579 ( 4.241 -7.206 7.971) 11.552 14.207 ( 1.641 -9.839 -3.319) 10.513 14.895 ( 1.315 -2.168 0.005) 2.536 15.297 ( -3.840 2.463 -11.336) 12.220 15.667 ( -8.350 14.652 6.691) 18.143 15.878 ( -1.271 1.945 6.845) 7.228 16.056 ( 8.507 -2.544 3.066) 9.393 16.554 ( -3.779 5.760 -15.170) 16.661 16.821 ( -4.896 -1.035 -2.605) 5.641 16.850 ( 4.322 8.175 -3.939) 10.052 18.145 ( 0.519 -4.252 17.500) 18.017 19.134 ( 6.920 -2.147 -14.682) 16.373 21.793 ( 0.148 1.023 4.776) 4.886 21.850 ( -0.397 0.146 3.324) 3.351 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 14.440 7.535 9.213) 18.713 1.449 ( 4.074 11.797 12.457) 17.634 1.966 ( 8.159 1.038 -3.568) 8.965 2.070 ( 8.745 -7.185 -9.190) 14.579 2.275 ( -0.813 4.182 -0.033) 4.261 2.376 ( 1.340 1.048 -6.024) 6.259 2.634 ( -3.232 -9.554 -1.290) 10.168 2.804 ( -2.300 7.532 -1.722) 8.061 2.949 ( -8.062 -0.904 -2.095) 8.379 3.326 ( 3.078 -0.431 6.067) 6.817 3.522 ( 1.472 -2.154 9.319) 9.677 3.645 ( -4.671 -7.186 -0.674) 8.597 3.792 ( 0.367 -0.650 1.864) 2.008 4.198 ( -5.239 -0.296 1.993) 5.613 4.482 ( -0.603 -0.755 2.073) 2.287 4.558 ( 0.326 1.330 1.342) 1.918 4.743 ( -7.622 -5.829 -2.366) 9.882 4.809 ( 2.811 7.125 2.763) 8.143 5.115 ( -10.900 0.621 1.639) 11.040 5.648 ( -6.316 -3.993 -2.552) 7.896 5.914 ( -0.964 2.341 -1.136) 2.775 6.136 ( 2.230 -0.715 -3.271) 4.023 6.357 ( 6.913 6.779 -4.162) 10.539 6.674 ( 4.823 -0.871 -7.698) 9.126 7.126 ( 9.295 -11.229 7.242) 16.277 7.177 ( -2.387 -8.743 -1.798) 9.240 7.257 ( -8.232 -2.432 6.199) 10.588 7.544 ( -1.730 1.717 1.824) 3.044 7.588 ( -2.999 1.932 0.797) 3.655 7.814 ( -6.666 8.859 -2.034) 11.272 7.944 ( -0.262 1.283 4.567) 4.751 8.199 ( -3.803 1.759 -4.173) 5.914 8.275 ( 1.944 2.614 -0.049) 3.258 8.527 ( -4.610 7.944 3.519) 9.836 8.739 ( -5.232 6.632 -6.183) 10.468 8.941 ( 9.883 -1.668 -4.884) 11.150 9.962 ( 8.450 5.274 1.500) 10.073 10.052 ( 4.188 -0.709 -0.949) 4.352 10.607 ( -1.268 -8.508 -0.739) 8.634 10.883 ( -0.385 -2.657 -3.969) 4.792 11.643 ( -14.516 3.142 3.590) 15.280 11.689 ( -4.385 -1.705 1.913) 5.079 11.784 ( -4.553 -10.766 -5.041) 12.730 12.259 ( -12.519 -1.152 0.245) 12.575 12.966 ( -0.316 5.926 -3.522) 6.901 13.485 ( -0.530 9.483 -1.228) 9.577 13.785 ( 13.706 -11.601 -0.110) 17.957 14.208 ( 2.871 -10.995 -2.722) 11.685 14.897 ( -3.637 -2.277 1.690) 4.612 15.160 ( 1.054 3.035 -5.476) 6.349 15.675 ( -0.609 15.607 4.025) 16.130 15.875 ( -5.003 -2.837 0.754) 5.800 16.314 ( 12.145 -3.066 8.069) 14.900 16.330 ( -0.875 11.647 -10.245) 15.536 16.738 ( 3.427 -6.906 -7.943) 11.069 16.980 ( 6.498 6.627 5.528) 10.802 18.286 ( -4.764 -5.180 13.887) 15.568 19.019 ( -0.433 -2.018 -14.821) 14.964 21.837 ( -0.571 -0.040 3.512) 3.558 21.873 ( -0.670 0.704 2.440) 2.627 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 5.747 0.658 1.123) 5.892 1.623 ( 11.743 5.413 5.953) 14.235 1.992 ( 2.953 4.100 -4.079) 6.494 2.100 ( 4.521 1.725 -9.677) 10.820 2.205 ( -2.577 0.323 -0.926) 2.757 2.352 ( 0.921 3.105 0.472) 3.273 2.625 ( 3.097 -6.301 0.621) 7.048 2.765 ( -1.106 0.218 -5.985) 6.090 2.865 ( -3.298 0.508 4.331) 5.468 3.286 ( -16.053 -1.004 -0.945) 16.112 3.378 ( -4.253 -6.158 -12.604) 14.659 3.755 ( 4.222 -2.612 12.145) 13.121 3.906 ( 2.715 1.723 5.880) 6.702 4.290 ( 8.906 -1.764 8.830) 12.665 4.443 ( -8.870 -3.704 -3.491) 10.226 4.498 ( -6.600 -2.966 -4.224) 8.379 4.613 ( 1.978 -0.944 2.538) 3.354 4.856 ( -5.422 5.359 6.732) 10.170 4.990 ( -4.327 -0.541 -1.649) 4.661 5.500 ( -8.303 0.489 -3.581) 9.055 5.938 ( 2.157 0.944 3.291) 4.047 6.155 ( 3.208 -1.031 -0.802) 3.464 6.375 ( 2.057 5.430 -5.003) 7.665 6.649 ( 2.273 -1.573 -6.601) 7.156 7.074 ( -8.048 -8.056 3.562) 11.931 7.185 ( -3.728 -6.748 0.077) 7.710 7.398 ( 8.563 -8.804 6.700) 13.991 7.490 ( -7.145 -3.820 -0.778) 8.140 7.582 ( -1.399 11.585 2.618) 11.959 7.714 ( -5.170 10.052 2.729) 11.629 7.977 ( -1.422 1.344 4.300) 4.724 8.103 ( -2.075 4.549 -2.916) 5.788 8.260 ( -2.190 6.979 -1.440) 7.455 8.481 ( -2.855 4.139 -0.061) 5.028 8.589 ( -3.382 3.902 -6.911) 8.627 9.056 ( 9.291 -0.010 -3.423) 9.902 10.038 ( 4.508 8.288 -6.765) 11.610 10.100 ( 3.599 -0.866 -2.367) 4.394 10.598 ( -0.952 -4.088 0.880) 4.288 10.843 ( -0.086 0.859 0.757) 1.149 11.483 ( -13.258 -2.856 10.936) 17.422 11.611 ( -8.083 -1.124 1.317) 8.267 11.770 ( 5.949 -8.244 -2.145) 10.391 12.118 ( -4.066 -0.059 -0.146) 4.069 12.866 ( -4.901 8.089 -6.371) 11.404 13.417 ( -5.765 8.085 -0.339) 9.936 13.987 ( 12.741 -11.907 -2.311) 17.591 14.237 ( 3.664 -12.550 -2.175) 13.253 14.834 ( -5.326 0.799 2.305) 5.858 15.190 ( 5.407 0.310 -1.629) 5.656 15.653 ( -4.814 1.748 -2.398) 5.655 15.779 ( -4.080 11.298 -0.087) 12.013 16.259 ( 0.969 11.482 -1.519) 11.622 16.658 ( 12.256 -4.964 12.539) 18.223 16.761 ( 11.897 -6.758 -9.152) 16.461 17.149 ( 6.439 4.813 5.642) 9.821 18.281 ( -11.655 -5.495 9.213) 15.840 18.825 ( -3.806 -2.235 -13.501) 14.204 21.850 ( -0.808 -0.199 1.165) 1.432 21.880 ( -0.987 0.578 1.130) 1.608 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 11.085 -1.114 -3.524) 11.685 1.852 ( 9.885 3.272 2.681) 10.753 1.992 ( 1.813 4.637 -2.889) 5.756 2.051 ( -0.876 3.937 -0.283) 4.043 2.173 ( -1.648 -1.050 -2.011) 2.804 2.439 ( 5.734 4.691 2.357) 7.774 2.576 ( -5.550 -4.887 -5.778) 9.384 2.757 ( 0.576 -2.746 -0.480) 2.846 2.879 ( 0.848 4.523 1.873) 4.968 2.983 ( -12.119 -1.497 -0.091) 12.211 3.209 ( -4.436 -4.339 -5.022) 7.983 3.873 ( 0.410 -4.075 2.782) 4.951 4.021 ( -6.712 -1.616 1.615) 7.091 4.065 ( -7.839 -0.796 -3.122) 8.475 4.510 ( 1.805 -1.179 2.249) 3.116 4.567 ( 9.326 -6.320 1.267) 11.337 4.700 ( 3.310 0.823 8.031) 8.725 4.778 ( -10.590 -0.460 6.044) 12.202 4.950 ( 1.644 -0.052 -4.283) 4.588 5.318 ( -7.462 2.431 -5.240) 9.437 6.012 ( 1.612 -1.085 3.233) 3.772 6.229 ( 4.415 2.678 2.558) 5.762 6.335 ( -0.867 2.485 -2.810) 3.850 6.631 ( 2.525 -0.102 -2.831) 3.795 6.986 ( -7.917 -7.737 2.104) 11.268 7.129 ( -1.762 -9.136 -0.925) 9.350 7.329 ( -8.592 -3.589 -3.778) 10.049 7.510 ( -4.944 11.569 1.097) 12.629 7.552 ( 2.205 -0.414 2.807) 3.593 7.683 ( -5.786 6.072 2.729) 8.820 7.988 ( -2.282 3.690 1.461) 4.578 8.076 ( -0.477 4.528 1.698) 4.860 8.264 ( 4.716 8.666 0.103) 9.867 8.441 ( -2.176 0.689 0.326) 2.305 8.499 ( -0.021 5.250 -4.006) 6.604 9.148 ( 6.367 1.593 -3.226) 7.314 10.017 ( 3.345 9.891 -5.998) 12.042 10.118 ( 2.588 -0.361 -2.351) 3.515 10.567 ( -1.746 2.452 -1.243) 3.257 10.918 ( 2.888 -2.616 5.886) 7.059 11.428 ( -8.765 -4.475 9.758) 13.859 11.466 ( -9.850 -3.320 -0.758) 10.422 11.857 ( 6.462 -5.560 -3.308) 9.144 12.144 ( 3.116 -3.551 4.152) 6.290 12.705 ( -5.257 11.580 -5.158) 13.724 13.324 ( -5.670 7.781 1.463) 9.738 14.125 ( 9.508 -11.166 -6.805) 16.168 14.269 ( 2.831 -13.910 -1.419) 14.265 14.801 ( -3.748 1.708 5.240) 6.665 15.264 ( 5.092 1.037 -0.623) 5.233 15.550 ( -3.216 -2.007 -0.721) 3.859 15.729 ( -4.871 13.124 2.562) 14.232 16.285 ( 1.013 10.518 2.387) 10.833 16.800 ( 7.060 -5.381 -5.672) 10.534 17.048 ( 16.973 -4.680 6.825) 18.883 17.289 ( 5.027 2.313 2.006) 5.886 18.124 ( -17.612 -4.780 6.437) 19.351 18.632 ( -2.399 -2.511 -11.075) 11.606 21.842 ( -0.394 0.293 -0.713) 0.866 21.865 ( -1.050 -0.093 -0.775) 1.308 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 1.706 2.906 -7.475) 8.199 1.910 ( 7.314 0.284 -5.534) 9.176 2.021 ( 2.390 1.450 -0.494) 2.839 2.068 ( -6.797 1.512 -2.332) 7.343 2.117 ( 4.297 0.743 5.796) 7.253 2.492 ( 0.992 -0.878 2.654) 2.966 2.561 ( 3.191 2.163 -3.235) 5.033 2.667 ( 1.375 6.500 -0.148) 6.645 2.777 ( -7.131 -0.852 -3.556) 8.014 3.041 ( -3.825 -1.370 5.229) 6.622 3.182 ( 4.226 -5.448 5.395) 8.755 3.767 ( -2.349 -4.344 -2.599) 5.580 3.912 ( 0.943 -0.846 0.853) 1.527 4.128 ( -2.633 -2.493 6.448) 7.398 4.538 ( -0.681 -0.294 0.095) 0.748 4.624 ( 1.383 -5.789 -2.831) 6.591 4.674 ( -7.535 -1.421 3.218) 8.316 4.819 ( -3.676 -0.874 1.125) 3.942 4.947 ( 5.064 -1.853 -0.922) 5.471 5.186 ( -0.792 4.131 -4.499) 6.159 6.044 ( -0.921 -2.530 1.395) 3.033 6.263 ( -0.681 0.509 -1.995) 2.168 6.377 ( 3.245 3.373 7.106) 8.509 6.659 ( 1.764 2.593 -0.767) 3.229 6.886 ( -3.754 -9.463 0.361) 10.187 7.089 ( -1.054 -7.281 -3.011) 7.949 7.185 ( -2.472 -0.055 -4.257) 4.922 7.472 ( -0.694 11.503 2.180) 11.728 7.577 ( -6.612 11.654 0.666) 13.416 7.600 ( 0.010 -6.150 -0.921) 6.218 7.958 ( -0.977 3.556 -0.874) 3.790 8.098 ( -0.629 2.385 3.264) 4.091 8.335 ( 2.126 9.844 -0.724) 10.096 8.420 ( -0.347 0.128 1.284) 1.336 8.520 ( 1.945 5.515 3.561) 6.848 9.188 ( 3.117 1.979 -3.525) 5.105 10.047 ( 5.285 10.053 -0.628) 11.375 10.169 ( 3.712 -0.048 3.369) 5.013 10.523 ( -0.439 4.466 -3.902) 5.947 11.001 ( -1.601 -2.680 4.255) 5.278 11.302 ( -6.991 -5.937 -2.610) 9.536 11.400 ( -5.292 -3.709 6.238) 8.982 11.901 ( 4.296 -3.537 -3.844) 6.764 12.154 ( -3.423 -3.129 -5.732) 7.373 12.692 ( 3.032 9.527 7.789) 12.674 13.291 ( -2.214 7.697 4.718) 9.296 14.123 ( 3.553 -12.054 -11.730) 17.190 14.295 ( 2.704 -10.558 -3.234) 11.368 14.824 ( -2.742 0.743 8.336) 8.807 15.339 ( 3.921 3.989 0.502) 5.616 15.562 ( 0.712 -2.986 6.513) 7.200 15.685 ( -4.579 7.199 4.216) 9.516 16.335 ( 0.426 11.916 4.674) 12.807 16.805 ( 2.380 -3.039 -8.346) 9.196 17.281 ( -0.517 -4.114 0.023) 4.147 17.369 ( 12.130 -0.478 -5.806) 13.457 17.909 ( -17.344 -3.760 9.716) 20.232 18.548 ( 4.968 -2.647 -6.387) 8.513 21.823 ( -0.119 0.427 -2.149) 2.195 21.835 ( -0.349 -0.391 -2.402) 2.459 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -2.141 2.326 -7.765) 8.383 1.818 ( -10.572 3.159 -6.526) 12.819 2.072 ( 7.718 -5.079 -2.643) 9.610 2.111 ( 7.644 2.724 3.970) 9.034 2.208 ( -2.550 4.652 6.331) 8.260 2.431 ( -3.099 5.195 -6.650) 8.989 2.642 ( -1.537 -4.479 -6.367) 7.935 2.684 ( 6.351 2.264 1.731) 6.961 2.802 ( 9.002 0.453 5.733) 10.682 2.937 ( -7.900 2.603 2.366) 8.647 3.396 ( 8.944 -4.387 12.669) 16.116 3.734 ( -4.081 -6.393 -3.155) 8.215 4.046 ( 3.201 -4.742 4.656) 7.376 4.128 ( 3.848 0.218 4.701) 6.079 4.483 ( -6.650 -3.067 -8.693) 11.366 4.521 ( -4.077 -5.391 -1.328) 6.888 4.628 ( -4.156 0.763 -2.546) 4.934 4.691 ( -6.084 0.345 4.263) 7.437 5.007 ( 2.577 1.019 -2.501) 3.733 5.220 ( 8.234 3.305 -2.103) 9.119 6.026 ( -2.858 -3.290 2.284) 4.920 6.244 ( -0.583 -4.103 0.902) 4.241 6.503 ( 2.162 3.778 6.418) 7.755 6.660 ( 0.961 1.224 0.345) 1.594 6.888 ( 1.848 -6.664 -1.996) 7.198 7.085 ( 3.920 -2.086 1.673) 4.745 7.147 ( 4.231 0.859 -6.577) 7.868 7.450 ( -5.270 0.711 -5.435) 7.604 7.515 ( 2.315 9.226 1.374) 9.610 7.587 ( -1.338 4.457 0.047) 4.654 7.952 ( 0.244 0.490 1.332) 1.440 8.121 ( -0.333 0.279 2.108) 2.152 8.328 ( -2.534 10.216 2.973) 10.938 8.473 ( 3.401 3.551 1.821) 5.244 8.581 ( 0.390 4.346 3.254) 5.443 9.171 ( 0.314 1.035 -4.632) 4.756 10.169 ( 6.152 9.350 4.624) 12.109 10.272 ( -1.983 -0.583 6.892) 7.195 10.504 ( 6.727 3.781 -4.031) 8.706 10.912 ( -7.405 0.255 -3.260) 8.095 11.209 ( -4.525 -8.900 0.339) 9.990 11.415 ( 0.944 -1.454 2.955) 3.425 11.896 ( -1.383 -2.055 -3.540) 4.320 12.021 ( 0.012 0.019 -6.262) 6.262 12.878 ( 4.533 4.589 11.338) 13.045 13.352 ( 1.201 6.999 7.281) 10.170 14.013 ( 0.322 -12.983 -13.218) 18.531 14.273 ( 1.789 -5.579 -7.039) 9.159 14.890 ( -2.178 -1.625 10.541) 10.885 15.378 ( 0.385 9.005 0.261) 9.017 15.681 ( -2.840 3.474 5.669) 7.230 15.701 ( 2.684 -8.916 12.030) 15.212 16.409 ( 0.532 15.039 8.151) 17.114 16.685 ( -3.761 -2.042 -11.298) 12.081 17.142 ( -7.624 -4.826 -8.205) 12.195 17.381 ( -2.760 0.721 -7.001) 7.559 17.853 ( -2.738 -4.253 7.595) 9.125 18.658 ( 12.925 -2.854 -1.117) 13.283 21.789 ( -0.082 -0.311 -3.291) 3.307 21.808 ( 0.621 0.303 -3.102) 3.178 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -7.961 5.747 -6.766) 11.924 1.606 ( -8.545 6.568 -3.984) 11.491 2.159 ( 6.434 -5.878 -0.314) 8.721 2.229 ( 1.205 3.819 5.622) 6.903 2.284 ( 4.073 2.081 -0.506) 4.602 2.380 ( 2.579 0.244 5.725) 6.283 2.550 ( -0.534 -5.979 -7.881) 9.907 2.722 ( 3.311 9.443 -3.493) 10.599 2.784 ( -6.131 3.474 -2.297) 7.412 3.101 ( 8.662 -3.871 4.765) 10.616 3.548 ( -11.909 -5.185 -5.906) 14.268 3.721 ( 10.652 -6.296 14.735) 19.241 3.940 ( -10.506 -1.634 -2.659) 10.959 4.220 ( -8.179 -3.210 -3.672) 9.522 4.323 ( 4.132 0.848 -4.813) 6.400 4.490 ( 1.650 -4.273 0.189) 4.585 4.586 ( 2.822 -2.173 4.287) 5.573 4.739 ( 3.144 3.433 5.763) 7.408 4.992 ( 0.016 1.939 -3.535) 4.032 5.350 ( 10.413 1.306 -2.329) 10.750 6.023 ( -2.482 -2.405 4.937) 6.026 6.264 ( 0.438 -5.765 2.695) 6.379 6.579 ( 0.151 0.440 4.280) 4.305 6.719 ( 4.013 1.524 0.579) 4.332 6.881 ( 2.255 -2.285 -2.346) 3.976 7.142 ( 2.458 -1.343 -6.229) 6.830 7.243 ( 10.172 -0.668 2.575) 10.514 7.295 ( -4.225 -4.046 -5.825) 8.256 7.517 ( -2.032 8.596 -0.864) 8.875 7.616 ( 4.796 8.935 0.481) 10.152 7.982 ( -0.417 -2.060 3.009) 3.671 8.135 ( 0.740 -1.802 0.177) 1.956 8.346 ( -0.051 9.720 4.129) 10.561 8.509 ( -2.938 5.318 2.167) 6.450 8.636 ( 4.343 5.215 1.587) 6.970 9.102 ( -1.630 0.210 -5.696) 5.928 10.201 ( -6.796 1.961 -3.513) 7.898 10.243 ( -5.765 8.277 0.758) 10.115 10.625 ( 4.949 -5.881 6.099) 9.812 10.921 ( 15.065 5.824 1.036) 16.185 11.132 ( -7.053 -9.053 3.057) 11.876 11.456 ( 2.263 1.404 -1.392) 3.005 11.839 ( 0.140 -2.700 -0.532) 2.755 12.027 ( 4.688 -0.255 -2.975) 5.559 13.047 ( 1.794 3.235 9.733) 10.412 13.461 ( 1.861 4.965 6.525) 8.408 13.864 ( -0.771 -13.061 -12.818) 18.316 14.216 ( 2.221 -2.346 -8.585) 9.173 14.970 ( -2.310 -3.167 10.006) 10.746 15.376 ( -1.389 10.158 1.870) 10.422 15.703 ( -2.952 3.665 6.554) 8.068 15.847 ( -0.800 -10.871 9.552) 14.493 16.450 ( -7.672 2.594 -9.835) 12.740 16.563 ( 2.563 11.237 12.408) 16.935 16.912 ( -7.080 -4.542 -10.689) 13.602 17.231 ( -7.960 0.448 -1.234) 8.067 17.881 ( 1.373 -3.982 -3.120) 5.242 18.899 ( 15.854 -3.031 1.072) 16.177 21.754 ( 0.140 -0.212 -3.298) 3.307 21.785 ( 0.881 0.442 -3.309) 3.453 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -14.013 9.952 -9.356) 19.568 1.385 ( -14.836 11.980 -2.234) 19.200 2.234 ( -2.287 -7.123 1.067) 7.557 2.267 ( -7.448 -0.800 -0.237) 7.494 2.375 ( 5.238 3.426 6.976) 9.372 2.443 ( 2.048 1.054 0.998) 2.510 2.506 ( -1.975 -0.434 -5.479) 5.840 2.727 ( 4.987 9.680 -2.844) 11.254 2.787 ( 12.237 1.566 1.038) 12.380 3.046 ( -9.627 -3.967 -8.700) 13.569 3.334 ( -3.867 -4.532 -5.334) 7.996 3.736 ( -7.735 -0.783 1.420) 7.903 4.056 ( 6.623 -9.509 13.422) 17.733 4.192 ( 0.559 0.712 -9.569) 9.611 4.204 ( -0.437 -4.298 1.792) 4.677 4.528 ( -0.548 -4.052 1.868) 4.495 4.718 ( 1.437 1.934 5.363) 5.880 4.929 ( 8.901 4.377 5.829) 11.505 4.959 ( 4.705 1.401 -1.253) 5.067 5.511 ( 12.290 -2.222 -1.417) 12.569 6.030 ( -3.149 -1.523 3.394) 4.874 6.301 ( 0.076 -3.403 2.252) 4.081 6.572 ( -6.278 1.690 1.938) 6.784 6.743 ( 2.035 -1.731 -5.274) 5.913 6.951 ( 6.512 -1.226 -0.748) 6.668 7.057 ( -1.595 -3.712 -2.164) 4.583 7.265 ( 2.291 -1.103 -0.003) 2.543 7.426 ( 6.353 -6.126 4.061) 9.715 7.488 ( 1.472 5.492 -1.785) 5.960 7.714 ( 5.347 11.986 1.650) 13.228 7.991 ( -1.405 -0.360 1.714) 2.245 8.144 ( 2.892 -2.303 -3.946) 5.407 8.403 ( 1.429 6.784 3.020) 7.562 8.456 ( -5.645 5.107 2.973) 8.172 8.725 ( 4.772 8.255 -0.477) 9.547 9.005 ( -2.118 0.401 -6.124) 6.492 9.978 ( -11.648 4.050 -8.014) 14.707 10.086 ( -6.535 5.511 -5.318) 10.068 10.825 ( 4.252 -7.072 11.498) 14.153 11.030 ( -5.475 -14.090 -0.083) 15.117 11.278 ( 15.485 6.418 6.011) 17.808 11.517 ( 11.632 3.048 0.313) 12.029 11.897 ( 4.775 -3.877 2.713) 6.722 12.076 ( 5.043 -0.835 -3.206) 6.034 13.134 ( -2.504 3.405 6.822) 8.025 13.502 ( -0.628 -1.582 -4.516) 4.826 13.736 ( -1.861 -8.673 -4.900) 10.133 14.171 ( 3.811 -1.575 -8.096) 9.086 15.017 ( -2.625 -2.096 5.554) 6.491 15.387 ( -0.719 10.912 3.413) 11.456 15.735 ( -3.357 4.133 9.368) 10.776 15.864 ( -6.117 -7.344 4.571) 10.595 16.213 ( -7.749 0.385 -8.256) 11.330 16.691 ( -5.164 -1.395 -3.717) 6.514 16.791 ( 4.355 6.505 6.939) 10.461 17.153 ( -4.594 0.539 8.324) 9.523 17.815 ( -0.449 -3.538 -9.872) 10.496 19.156 ( 14.787 -3.890 -0.770) 15.310 21.723 ( -0.068 0.518 -2.289) 2.348 21.766 ( 0.881 0.275 -2.560) 2.721 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -15.683 14.416 -10.756) 23.863 1.108 ( -18.229 18.550 1.553) 26.054 1.866 ( -35.652 18.259 -0.763) 40.063 2.072 ( -14.843 -1.464 -1.910) 15.037 2.396 ( 4.431 -5.395 -0.873) 7.036 2.531 ( 7.683 -2.554 -0.076) 8.097 2.634 ( 4.381 -8.165 0.705) 9.293 2.728 ( 2.903 9.872 -7.223) 12.572 2.935 ( 9.809 3.088 -0.763) 10.312 3.109 ( 9.990 -7.626 3.442) 13.031 3.292 ( 9.163 -1.344 1.354) 9.360 3.684 ( -6.223 0.559 7.546) 9.797 4.015 ( -3.328 0.800 -9.591) 10.184 4.193 ( -1.151 -6.414 5.960) 8.830 4.367 ( 4.881 -9.316 8.324) 13.413 4.510 ( -2.201 -3.077 -0.639) 3.837 4.686 ( -7.584 3.473 1.569) 8.488 5.033 ( 8.327 -1.078 1.156) 8.475 5.225 ( 11.507 3.133 4.908) 12.896 5.694 ( 11.740 -5.542 -2.216) 13.170 5.997 ( -2.524 2.725 1.385) 3.964 6.293 ( -2.008 -1.291 -1.727) 2.947 6.441 ( -8.972 4.965 0.116) 10.255 6.690 ( 0.843 -5.152 -6.833) 8.599 7.014 ( 3.059 -9.359 0.388) 9.853 7.132 ( 4.074 2.846 6.658) 8.308 7.319 ( -0.295 -1.523 5.770) 5.975 7.479 ( 0.146 -0.957 1.673) 1.932 7.542 ( 3.509 -6.955 -3.919) 8.720 7.797 ( 1.793 10.509 1.744) 10.803 7.980 ( -0.182 1.892 -1.837) 2.643 8.179 ( 8.030 1.855 -2.409) 8.586 8.409 ( -5.085 4.724 6.068) 9.219 8.449 ( 1.735 6.216 -0.669) 6.488 8.768 ( 3.958 10.962 -4.288) 12.419 8.899 ( -2.303 1.110 -6.760) 7.227 9.741 ( -7.828 3.892 -4.390) 9.782 9.922 ( -3.458 7.141 -10.439) 13.112 10.888 ( -14.447 -13.782 7.434) 21.305 10.942 ( -1.784 -13.646 0.974) 13.796 11.508 ( 14.038 2.034 -1.984) 14.322 11.878 ( 18.108 1.447 10.518) 20.991 12.053 ( 10.334 -3.292 5.171) 12.015 12.102 ( 5.308 -3.896 -7.537) 10.007 13.106 ( -8.326 4.084 2.768) 9.678 13.313 ( -4.283 -3.149 -19.272) 19.992 13.688 ( -6.497 -3.921 5.036) 9.108 14.168 ( 5.375 -3.301 -6.046) 8.737 15.005 ( -2.319 0.656 -0.216) 2.420 15.421 ( 2.198 11.004 0.179) 11.223 15.760 ( -4.396 -3.199 -1.423) 5.620 15.838 ( -4.548 0.843 15.278) 15.963 16.055 ( -2.623 2.331 -3.168) 4.728 16.610 ( -1.977 -0.118 2.244) 2.993 16.876 ( 1.538 2.750 1.538) 3.506 17.285 ( 0.872 2.681 15.449) 15.704 17.674 ( -2.395 -2.962 -9.356) 10.101 19.317 ( 9.819 -6.607 -8.474) 14.556 21.704 ( -0.425 1.545 -0.465) 1.669 21.761 ( 0.814 -0.052 -0.624) 1.027 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -7.883 22.948 -4.026) 24.596 0.847 ( -19.575 19.623 7.685) 28.763 1.387 ( -25.272 35.057 15.125) 45.787 1.870 ( -8.666 -0.586 0.342) 8.693 2.425 ( 3.409 -6.003 -7.035) 9.856 2.591 ( 2.163 -0.635 -4.558) 5.086 2.669 ( 4.169 -4.591 -2.673) 6.753 2.723 ( 6.393 5.642 -3.876) 9.366 3.135 ( 2.525 -6.799 -3.186) 7.921 3.206 ( 10.278 -4.768 6.022) 12.831 3.607 ( 8.059 -5.866 8.684) 13.220 3.742 ( 0.645 -2.143 17.770) 17.911 3.882 ( -3.722 2.108 -2.489) 4.949 4.218 ( -1.418 -3.425 4.214) 5.612 4.415 ( -4.099 1.644 -2.270) 4.966 4.490 ( 0.956 -9.612 -0.040) 9.660 4.589 ( -6.448 1.192 3.483) 7.425 5.111 ( -7.037 -6.083 0.103) 9.302 5.336 ( 6.808 0.167 -3.464) 7.641 5.829 ( 9.733 -7.503 -4.402) 13.054 6.041 ( 6.446 9.571 -3.725) 12.125 6.215 ( -2.559 0.117 -1.358) 2.900 6.343 ( -3.918 6.723 0.362) 7.790 6.646 ( 2.143 -6.472 -5.734) 8.909 6.985 ( -9.372 -12.463 -4.640) 16.269 7.272 ( -9.713 -6.649 10.580) 15.826 7.305 ( 2.720 3.536 1.040) 4.581 7.507 ( 0.570 -0.243 2.335) 2.415 7.540 ( 4.601 -2.005 2.237) 5.495 7.813 ( -1.137 6.306 1.183) 6.516 7.950 ( -0.278 3.523 -2.037) 4.079 8.305 ( 5.721 4.529 -5.667) 9.239 8.421 ( -0.236 5.398 4.328) 6.923 8.473 ( 2.924 4.382 0.003) 5.268 8.777 ( 6.968 13.444 -6.062) 16.311 8.846 ( 5.912 -0.686 -4.304) 7.345 9.671 ( 1.892 6.658 2.898) 7.504 9.749 ( -3.331 8.367 -9.177) 12.858 10.619 ( -25.171 -19.329 7.353) 32.577 10.933 ( -1.769 -11.637 1.753) 11.900 11.676 ( 8.050 -0.760 -1.320) 8.193 11.985 ( -4.249 -4.190 -7.418) 9.520 12.258 ( 15.961 -7.948 0.607) 17.841 12.340 ( 13.328 -3.958 5.836) 15.079 12.887 ( -10.616 9.036 -6.559) 15.406 13.123 ( 0.804 13.865 -7.020) 15.562 13.599 ( -12.365 -4.353 7.082) 14.899 14.198 ( 4.772 -5.778 -4.328) 8.654 14.948 ( -1.582 1.461 -3.750) 4.324 15.448 ( 3.961 6.948 -5.363) 9.630 15.684 ( -2.305 -1.092 1.122) 2.786 15.869 ( -3.604 -1.754 2.303) 4.623 16.117 ( 5.476 -2.615 2.338) 6.503 16.637 ( -2.187 -0.931 4.131) 4.766 16.988 ( 7.834 11.073 4.362) 14.249 17.309 ( -4.989 0.867 -7.931) 9.410 17.668 ( 0.329 -1.622 13.581) 13.682 19.234 ( 0.154 -5.412 -19.936) 20.658 21.705 ( -0.253 2.092 1.907) 2.841 21.780 ( 0.615 -0.172 1.848) 1.955 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 8.064 23.199 -1.380) 24.599 1.189 ( -0.149 18.284 4.094) 18.738 1.793 ( 0.714 -0.602 0.930) 1.318 2.126 ( -0.468 21.523 6.923) 22.614 2.283 ( 0.827 -0.702 -3.305) 3.479 2.530 ( -0.815 1.019 -2.421) 2.750 2.664 ( 1.344 -1.319 -4.437) 4.820 2.892 ( 5.465 3.842 -2.390) 7.095 2.956 ( -0.040 -6.952 0.743) 6.992 3.254 ( 4.326 0.038 -8.691) 9.708 3.511 ( -5.343 -3.709 0.504) 6.524 3.717 ( -11.879 -5.573 6.198) 14.512 3.913 ( 0.340 -2.309 3.723) 4.394 4.197 ( -1.233 -6.045 7.364) 9.606 4.262 ( -0.216 0.151 3.526) 3.536 4.556 ( 6.258 -0.332 6.356) 8.926 4.631 ( -2.638 6.270 1.127) 6.895 4.833 ( -3.441 -4.088 -4.160) 6.772 5.397 ( 1.209 -0.980 -1.587) 2.223 5.691 ( 0.864 -9.454 -3.598) 10.152 6.080 ( -2.151 1.560 -3.329) 4.259 6.223 ( 1.524 -0.363 0.503) 1.645 6.457 ( -2.094 8.771 -3.549) 9.691 6.557 ( 2.723 -3.406 -0.780) 4.430 6.675 ( -1.716 -1.942 -2.023) 3.288 7.124 ( -1.993 -3.414 -2.263) 4.556 7.377 ( -0.304 -1.069 1.904) 2.204 7.515 ( -0.129 -2.416 3.547) 4.294 7.651 ( 1.490 1.045 5.282) 5.587 7.876 ( 0.285 2.675 -1.426) 3.044 8.007 ( -2.660 4.386 0.346) 5.141 8.325 ( 2.019 1.579 -7.013) 7.467 8.404 ( -4.374 -3.384 -3.395) 6.489 8.695 ( -0.011 7.184 4.094) 8.269 8.811 ( 3.586 4.225 -6.613) 8.628 9.083 ( 7.523 3.538 -1.048) 8.379 9.785 ( -0.518 4.843 -2.695) 5.566 9.955 ( 4.628 3.610 0.785) 5.922 10.246 ( -2.878 -4.800 11.244) 12.559 10.626 ( -0.909 -15.621 1.262) 15.699 11.649 ( -0.028 -4.091 -4.430) 6.030 11.761 ( 0.618 -4.228 -6.671) 7.922 12.221 ( -2.586 -4.556 1.076) 5.348 12.356 ( -0.331 -8.133 4.173) 9.147 13.065 ( 2.404 9.934 3.201) 10.710 13.327 ( -0.636 1.750 -1.389) 2.323 13.581 ( 1.619 6.756 5.735) 9.008 14.014 ( -0.702 -10.256 -1.904) 10.455 14.871 ( -0.029 -1.485 -4.701) 4.931 15.341 ( 2.041 -7.412 -9.991) 12.607 15.823 ( -0.789 1.865 1.887) 2.768 15.849 ( 4.263 1.312 3.042) 5.399 16.090 ( -6.551 7.284 2.610) 10.138 16.656 ( -2.404 0.355 1.339) 2.775 17.090 ( -1.681 3.933 -11.356) 12.135 17.330 ( -6.041 14.815 -5.950) 17.069 17.847 ( 1.545 -1.063 15.130) 15.246 18.971 ( 8.120 -12.005 -9.767) 17.477 21.779 ( -0.040 1.716 3.203) 3.634 21.812 ( 0.233 -0.135 3.332) 3.343 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 10.776 15.310 2.242) 18.856 1.410 ( 14.070 11.196 10.733) 20.940 1.882 ( 7.825 1.126 0.849) 7.951 2.050 ( -2.703 2.401 -12.871) 13.369 2.331 ( 0.908 4.626 3.410) 5.818 2.481 ( -0.657 6.106 -5.491) 8.238 2.578 ( -4.402 -3.974 -1.629) 6.150 2.895 ( 0.914 -2.514 -4.392) 5.142 2.993 ( -1.791 -5.326 2.717) 6.241 3.271 ( 4.642 3.200 -0.755) 5.689 3.428 ( -4.222 -0.414 3.132) 5.273 3.569 ( -9.724 -7.077 3.304) 12.472 3.886 ( -6.100 4.223 0.448) 7.433 4.180 ( -6.208 -6.834 6.441) 11.258 4.445 ( 4.790 0.571 11.492) 12.464 4.573 ( -3.982 2.134 2.775) 5.302 4.712 ( 4.533 5.953 2.134) 7.781 4.795 ( 4.828 -5.721 -7.599) 10.667 5.322 ( -7.872 0.399 -1.880) 8.104 5.616 ( -3.139 -7.835 -3.514) 9.143 6.011 ( -3.133 2.710 -0.665) 4.195 6.236 ( -1.438 1.684 -2.137) 3.077 6.407 ( 3.048 6.178 -2.845) 7.453 6.640 ( 5.146 -2.044 -1.423) 5.717 6.679 ( 4.920 -5.954 2.032) 7.987 7.079 ( 0.535 -5.260 -4.716) 7.085 7.346 ( -7.539 -0.493 3.418) 8.293 7.532 ( -2.111 -2.707 2.819) 4.442 7.687 ( -0.879 4.478 2.283) 5.103 7.908 ( 3.984 1.086 -1.208) 4.302 7.980 ( -1.125 2.622 0.523) 2.901 8.285 ( 1.176 1.109 -4.254) 4.551 8.314 ( -3.102 0.303 -0.953) 3.259 8.728 ( -1.474 5.250 3.875) 6.689 8.817 ( 6.628 1.384 -6.689) 9.517 9.075 ( -3.646 6.731 -5.411) 9.375 9.870 ( 8.838 4.770 4.464) 10.990 9.997 ( 2.863 -0.042 -1.534) 3.248 10.413 ( 7.332 -4.861 3.854) 9.604 10.634 ( 1.015 -14.819 1.395) 14.919 11.612 ( 0.711 -4.954 -1.904) 5.355 11.695 ( -0.140 -4.925 -7.107) 8.648 12.045 ( -16.928 1.655 -0.737) 17.025 12.321 ( -9.194 -7.332 3.849) 12.374 13.136 ( 1.139 8.851 0.689) 8.951 13.390 ( 8.450 -3.735 2.906) 9.685 13.671 ( 0.953 7.575 4.220) 8.723 13.966 ( -1.373 -11.840 -3.158) 12.331 14.847 ( 2.441 -2.079 -3.270) 4.579 15.241 ( 0.511 -6.359 -11.966) 13.560 15.877 ( 2.801 5.065 3.849) 6.951 15.961 ( 1.593 -1.983 -1.314) 2.863 16.026 ( -0.378 8.226 8.872) 12.105 16.564 ( -5.723 -3.011 -5.669) 8.600 16.995 ( -4.396 12.241 -2.825) 13.309 17.122 ( -2.515 17.960 -6.736) 19.346 18.035 ( 0.051 -5.590 14.791) 15.812 18.988 ( 6.122 -11.639 -11.570) 17.516 21.814 ( -0.581 0.817 3.761) 3.892 21.852 ( -0.011 0.029 3.499) 3.499 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 11.136 8.448 3.191) 14.337 1.679 ( 1.701 8.562 0.509) 8.744 1.916 ( 11.714 -5.718 -4.597) 13.822 2.063 ( 9.126 7.234 -0.596) 11.660 2.334 ( -3.099 -0.245 -2.288) 3.860 2.386 ( 2.211 -1.578 -6.401) 6.954 2.487 ( -6.447 0.289 -1.114) 6.549 2.844 ( -3.653 -6.211 -2.939) 7.782 2.930 ( -3.888 0.115 -0.248) 3.897 3.336 ( 0.536 -1.655 1.866) 2.551 3.437 ( -4.437 -2.636 -0.682) 5.205 3.539 ( 1.510 -1.713 8.313) 8.621 3.831 ( -1.875 4.984 5.951) 7.986 4.160 ( -3.519 -3.123 5.892) 7.540 4.515 ( -1.361 2.454 -0.791) 2.915 4.576 ( -2.437 -1.028 4.891) 5.560 4.630 ( -8.038 -2.780 -7.551) 11.374 4.906 ( 7.288 1.694 2.164) 7.789 5.141 ( -11.827 2.351 -0.670) 12.077 5.561 ( -1.957 -3.784 0.553) 4.296 5.961 ( -2.767 1.965 0.365) 3.413 6.163 ( -2.236 2.180 -2.109) 3.769 6.452 ( 3.770 1.493 -2.228) 4.627 6.650 ( 3.525 -0.184 -5.703) 6.707 6.882 ( 8.534 -9.233 7.011) 14.395 7.014 ( -1.203 -8.122 -4.455) 9.342 7.239 ( -8.930 0.363 3.408) 9.566 7.502 ( -4.478 -4.262 0.528) 6.204 7.725 ( 3.370 9.729 2.318) 10.554 7.946 ( 2.516 2.455 -0.914) 3.632 7.984 ( -1.128 2.688 3.641) 4.665 8.212 ( -4.666 1.171 -0.098) 4.812 8.335 ( 2.996 2.939 -1.588) 4.487 8.711 ( -4.304 5.550 0.973) 7.090 8.859 ( 4.498 2.515 -10.228) 11.453 8.946 ( -0.810 4.995 -1.037) 5.166 10.036 ( 4.567 -0.552 -1.656) 4.889 10.101 ( 12.510 7.008 2.670) 14.586 10.470 ( 1.159 -4.171 -2.736) 5.121 10.715 ( 5.169 -11.054 2.029) 12.370 11.592 ( -3.537 -7.292 -7.207) 10.846 11.628 ( -0.318 -3.908 2.517) 4.659 11.750 ( -17.193 6.225 2.272) 18.426 12.180 ( -10.294 -5.149 1.136) 11.566 13.133 ( -0.680 8.275 -1.605) 8.456 13.576 ( 7.545 -6.874 4.682) 11.229 13.680 ( -2.702 7.796 0.499) 8.266 13.919 ( 0.746 -14.857 -3.882) 15.374 14.864 ( 1.764 -1.288 -1.045) 2.421 15.132 ( 2.173 -5.017 -9.677) 11.115 15.831 ( -7.141 3.678 -1.768) 8.225 16.045 ( 5.816 10.954 5.306) 13.490 16.247 ( 9.584 -2.091 11.564) 15.164 16.415 ( -1.935 -4.143 -7.596) 8.866 16.840 ( -3.030 17.840 -8.496) 19.991 17.161 ( 3.471 10.357 4.811) 11.936 18.147 ( -4.419 -7.432 11.466) 14.361 18.896 ( -0.389 -10.197 -13.260) 16.732 21.839 ( -0.959 0.202 2.997) 3.153 21.881 ( -0.621 0.004 2.571) 2.645 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 5.070 1.444 -6.391) 8.285 1.757 ( 9.948 5.877 2.226) 11.767 2.086 ( 5.173 0.220 -1.915) 5.521 2.140 ( 3.184 6.974 -3.524) 8.437 2.234 ( -1.119 0.811 -4.004) 4.236 2.412 ( -0.605 -2.550 3.900) 4.699 2.469 ( 6.321 -1.367 3.182) 7.208 2.704 ( -6.867 -4.437 -5.163) 9.669 2.922 ( 0.466 0.066 1.938) 1.995 3.229 ( -14.314 -1.405 -5.089) 15.257 3.301 ( -2.637 -1.695 -5.607) 6.424 3.687 ( 0.886 -2.930 9.608) 10.084 3.947 ( 4.505 1.849 6.922) 8.463 4.226 ( 3.113 -3.225 5.643) 7.206 4.333 ( -12.436 -5.258 -9.355) 16.426 4.499 ( 0.185 2.550 -1.722) 3.082 4.616 ( -0.067 0.348 6.769) 6.778 4.936 ( -8.156 -3.032 -3.146) 9.252 4.974 ( -4.196 3.952 2.809) 6.412 5.503 ( -5.986 -0.423 -2.001) 6.326 5.952 ( -0.405 0.755 2.752) 2.882 6.164 ( 1.896 1.014 3.432) 4.050 6.457 ( 0.897 1.612 -3.773) 4.200 6.641 ( 2.473 1.701 -4.595) 5.488 6.867 ( -5.066 -10.644 -1.613) 11.898 7.098 ( -1.947 -2.422 1.712) 3.548 7.201 ( 4.738 -7.919 5.147) 10.566 7.403 ( -5.997 -4.192 -2.248) 7.654 7.827 ( 2.963 11.450 3.865) 12.442 7.978 ( -4.656 10.580 3.328) 12.029 8.005 ( 1.181 1.979 4.294) 4.874 8.166 ( -1.271 2.913 1.547) 3.535 8.313 ( -0.744 0.124 -3.927) 3.998 8.619 ( -2.563 6.608 -6.330) 9.503 8.760 ( -3.206 10.810 -2.342) 11.516 9.039 ( 9.130 -1.894 -2.045) 9.546 10.088 ( 4.752 0.384 -2.604) 5.432 10.258 ( 7.445 11.283 -6.052) 14.811 10.496 ( 3.631 -5.413 2.707) 7.058 10.803 ( 3.769 -4.931 0.734) 6.249 11.406 ( -13.255 -5.104 3.060) 14.530 11.569 ( -10.204 0.888 3.512) 10.827 11.698 ( 5.535 -0.932 -0.059) 5.613 12.057 ( -4.343 -4.490 -0.781) 6.295 13.070 ( -4.106 9.687 -2.841) 10.898 13.595 ( -6.820 7.424 1.276) 10.162 13.744 ( 7.554 -9.225 2.089) 12.105 13.906 ( 2.622 -17.381 -3.985) 18.024 14.863 ( -0.460 1.530 -0.264) 1.619 15.125 ( 5.643 -5.821 -4.288) 9.172 15.690 ( -6.170 4.659 -2.855) 8.242 16.123 ( -7.673 14.124 8.395) 18.134 16.391 ( 11.299 -1.905 -9.789) 15.070 16.560 ( 12.096 -3.905 12.890) 18.103 16.759 ( 3.926 12.315 -6.662) 14.542 17.275 ( 3.079 6.912 5.222) 9.194 18.133 ( -10.299 -7.956 7.585) 15.063 18.711 ( -4.052 -9.157 -12.809) 16.259 21.848 ( -0.872 0.022 1.493) 1.730 21.885 ( -1.277 -0.186 0.860) 1.551 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 12.611 0.816 -4.056) 13.272 1.926 ( 7.474 3.027 1.417) 8.188 2.102 ( 1.749 -0.772 -2.034) 2.792 2.126 ( 0.656 7.217 -2.747) 7.750 2.183 ( -3.261 3.245 -0.181) 4.604 2.460 ( -2.791 -5.616 -2.953) 6.932 2.546 ( -0.123 4.067 2.959) 5.031 2.662 ( 8.301 -4.036 3.186) 9.764 2.908 ( -8.658 -3.548 -3.515) 9.995 2.997 ( -2.834 2.998 2.532) 4.840 3.162 ( -5.192 1.270 -6.438) 8.368 3.732 ( -5.569 -8.041 5.126) 11.043 3.985 ( -9.088 -1.670 -5.575) 10.792 4.102 ( 1.246 4.000 1.541) 4.464 4.384 ( 6.965 -7.867 2.959) 10.916 4.498 ( 2.511 -1.707 -3.012) 4.277 4.732 ( 1.962 1.095 8.554) 8.845 4.773 ( -8.734 -0.486 1.549) 8.884 4.919 ( -4.301 -2.230 -1.022) 4.951 5.350 ( -7.139 0.065 -4.000) 8.183 5.983 ( 0.193 -0.544 2.335) 2.405 6.273 ( 3.827 0.152 5.511) 6.711 6.400 ( -1.980 2.924 -4.107) 5.416 6.653 ( 2.868 2.248 -0.013) 3.644 6.785 ( -4.611 -10.036 -0.334) 11.050 7.029 ( -3.630 0.124 -0.904) 3.743 7.271 ( -4.770 -3.078 -2.777) 6.320 7.356 ( 4.846 -9.989 1.782) 11.244 7.839 ( -4.432 13.155 0.004) 13.881 7.910 ( -6.565 11.117 3.831) 13.467 8.026 ( -2.127 1.586 0.717) 2.748 8.190 ( 0.596 4.851 1.756) 5.193 8.347 ( 5.613 3.703 3.635) 7.645 8.508 ( -2.360 5.555 -6.141) 8.610 8.724 ( 0.370 11.989 -0.571) 12.009 9.146 ( 6.818 -2.785 -2.760) 7.865 10.134 ( 3.762 2.657 -1.005) 4.714 10.265 ( 3.800 11.810 -6.026) 13.792 10.584 ( 3.846 -1.959 0.205) 4.321 10.873 ( 3.015 -1.229 2.887) 4.352 11.262 ( -10.335 -8.442 3.422) 13.777 11.443 ( -9.811 1.102 3.912) 10.620 11.800 ( 6.574 -0.713 -1.690) 6.825 12.038 ( 1.417 -5.597 1.370) 5.934 12.958 ( -5.022 11.116 -2.449) 12.441 13.503 ( -5.825 8.172 1.860) 10.206 13.866 ( 5.783 -12.204 -3.886) 14.052 13.912 ( 2.145 -18.382 1.231) 18.548 14.870 ( 0.168 4.159 2.328) 4.770 15.177 ( 3.515 -6.325 -0.866) 7.288 15.608 ( -0.492 5.335 -1.052) 5.460 16.025 ( -11.910 10.643 5.392) 16.858 16.489 ( 11.364 7.884 -8.120) 16.039 16.774 ( 4.022 6.893 1.109) 8.058 16.929 ( 14.966 -6.093 7.834) 17.957 17.351 ( 1.993 3.603 0.480) 4.145 17.992 ( -15.498 -7.244 5.739) 18.044 18.519 ( -2.734 -8.760 -10.561) 13.991 21.844 ( -0.505 -0.102 -0.239) 0.568 21.861 ( -1.343 -0.312 -1.070) 1.746 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 12.095 -0.373 -5.484) 13.285 1.914 ( -3.652 1.967 -10.755) 11.527 2.053 ( -4.536 0.431 -2.197) 5.058 2.113 ( 0.729 4.468 0.037) 4.527 2.217 ( 3.767 6.227 7.434) 10.404 2.438 ( 2.604 -3.656 4.172) 6.128 2.571 ( -3.298 -1.419 -0.362) 3.608 2.741 ( 0.216 0.213 -0.742) 0.802 2.812 ( -0.446 3.766 -2.654) 4.629 2.994 ( -1.347 -3.849 1.127) 4.231 3.138 ( 4.363 3.148 7.457) 9.195 3.634 ( -6.237 -8.535 -0.100) 10.571 3.874 ( 0.094 -0.614 0.198) 0.652 4.129 ( -0.558 2.250 0.064) 2.319 4.464 ( 0.404 -8.756 -2.974) 9.256 4.498 ( 1.736 -2.939 -3.682) 5.021 4.681 ( -3.350 1.100 2.545) 4.348 4.789 ( -7.476 -1.888 1.623) 7.879 4.892 ( 3.584 -3.185 3.373) 5.862 5.238 ( -1.668 0.326 -1.984) 2.613 5.995 ( -1.034 -1.043 0.710) 1.632 6.268 ( -2.774 -0.517 -5.336) 6.036 6.435 ( 2.607 1.149 7.074) 7.626 6.695 ( -4.519 -7.722 0.175) 8.949 6.729 ( 3.415 2.912 1.884) 4.867 6.994 ( 0.270 0.150 0.090) 0.321 7.184 ( -0.738 -0.659 -3.984) 4.105 7.404 ( 0.383 -10.283 -1.230) 10.364 7.770 ( -1.569 14.437 -1.069) 14.561 7.846 ( -5.149 11.018 2.460) 12.408 8.004 ( -1.249 1.819 -0.081) 2.208 8.190 ( -0.868 6.246 -1.618) 6.510 8.435 ( -1.460 1.282 -0.741) 2.079 8.492 ( 4.714 7.890 6.087) 11.024 8.737 ( 0.652 10.956 0.079) 10.976 9.190 ( 3.183 -2.801 -3.947) 5.793 10.196 ( 2.712 3.556 2.900) 5.330 10.290 ( 4.812 10.628 -1.272) 11.736 10.625 ( 2.692 3.895 -1.881) 5.095 10.946 ( 0.608 -1.388 3.374) 3.698 11.123 ( -7.715 -9.466 -1.852) 12.351 11.353 ( -6.228 -0.217 3.675) 7.235 11.862 ( 4.300 -0.370 -1.792) 4.673 12.061 ( -1.344 -5.058 -1.322) 5.398 12.910 ( 0.309 10.037 2.411) 10.327 13.468 ( -2.579 7.995 4.348) 9.459 13.826 ( 0.411 -15.478 -8.501) 17.663 13.999 ( 2.835 -15.510 2.873) 16.027 14.907 ( -0.718 6.278 4.325) 7.658 15.232 ( 2.603 -7.558 3.361) 8.672 15.648 ( 4.665 4.903 0.656) 6.800 15.892 ( -10.392 9.551 4.175) 14.719 16.576 ( 8.644 10.462 -5.259) 14.554 16.817 ( -0.387 6.954 0.319) 6.972 17.167 ( 1.322 -6.311 2.759) 7.013 17.369 ( 7.203 0.684 -5.491) 9.082 17.800 ( -15.649 -6.332 7.564) 18.499 18.435 ( 4.538 -8.726 -6.092) 11.569 21.822 ( -0.718 -0.519 -2.545) 2.695 21.829 ( -0.020 -0.123 -1.921) 1.925 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.132 4.675 -7.922) 9.199 1.881 ( -6.476 1.866 -4.283) 7.986 1.977 ( 5.525 -3.132 -3.681) 7.341 2.174 ( 5.113 2.610 0.993) 5.826 2.324 ( -0.514 5.078 4.550) 6.838 2.453 ( -5.919 -6.491 -4.039) 9.668 2.562 ( -2.321 0.820 -0.447) 2.502 2.675 ( 4.757 0.011 2.974) 5.610 2.891 ( 5.641 4.915 1.569) 7.644 2.988 ( -2.244 0.896 3.910) 4.596 3.338 ( 6.318 0.574 10.906) 12.617 3.588 ( -1.826 -6.370 -0.833) 6.678 3.946 ( 4.008 -3.785 1.962) 5.851 4.127 ( 3.174 -0.004 1.694) 3.598 4.337 ( -6.580 -7.771 -9.121) 13.670 4.461 ( 0.283 -2.631 -5.591) 6.186 4.645 ( -7.191 -0.555 -1.495) 7.365 4.715 ( -1.459 2.946 6.831) 7.581 4.976 ( 3.403 -4.214 0.079) 5.417 5.265 ( 6.176 0.161 -1.177) 6.289 5.970 ( -1.865 -1.253 0.302) 2.267 6.179 ( -2.061 -2.312 -2.627) 4.062 6.506 ( -0.589 -2.303 2.486) 3.439 6.696 ( 1.946 0.835 5.293) 5.701 6.791 ( 1.317 -2.561 1.522) 3.257 7.039 ( 3.276 0.449 1.704) 3.719 7.163 ( 3.826 -0.961 -4.792) 6.207 7.340 ( -4.397 -7.745 -4.160) 9.830 7.777 ( 2.866 13.499 -0.044) 13.800 7.809 ( -1.866 12.709 0.056) 12.845 7.975 ( -1.501 1.232 -0.498) 2.005 8.147 ( -1.059 3.760 -2.466) 4.619 8.445 ( -1.055 1.341 5.798) 6.044 8.625 ( 4.827 9.346 4.386) 11.397 8.725 ( -1.665 7.582 -0.980) 7.824 9.168 ( 0.245 -1.663 -4.692) 4.984 10.268 ( -1.209 0.836 5.332) 5.531 10.383 ( 5.890 8.692 2.775) 10.860 10.629 ( -1.156 8.373 -2.177) 8.728 10.927 ( 0.696 0.313 -6.390) 6.435 11.021 ( -5.442 -7.846 4.579) 10.590 11.341 ( 1.184 -4.048 1.708) 4.550 11.885 ( -2.535 0.397 -0.870) 2.709 11.987 ( -0.115 -2.638 -3.227) 4.170 13.007 ( 4.507 7.038 6.074) 10.332 13.506 ( 0.206 6.364 5.022) 8.110 13.718 ( -1.356 -14.000 -8.818) 16.601 14.046 ( 0.563 -14.234 0.774) 14.266 14.940 ( -1.491 5.594 5.583) 8.043 15.329 ( 2.243 -8.388 5.507) 10.282 15.736 ( 2.931 3.415 2.397) 5.099 15.812 ( -3.981 10.298 4.173) 11.803 16.618 ( 0.623 3.974 -5.961) 7.191 16.790 ( -1.671 14.851 3.383) 15.323 17.042 ( -9.649 -4.262 -5.138) 11.734 17.386 ( -2.738 -0.346 -5.103) 5.802 17.733 ( -1.069 -6.623 5.388) 8.605 18.537 ( 12.489 -9.227 -1.478) 15.598 21.783 ( -0.051 -0.288 -3.287) 3.300 21.807 ( 0.691 -0.391 -3.044) 3.146 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -0.450 8.460 -7.268) 11.163 1.749 ( -5.715 5.990 0.125) 8.280 2.040 ( 5.690 -4.814 -2.384) 7.825 2.259 ( 2.592 -2.995 -2.921) 4.921 2.313 ( -1.049 -3.932 -0.448) 4.094 2.363 ( 0.898 -0.051 3.557) 3.669 2.490 ( -3.057 4.094 1.348) 5.285 2.782 ( 0.492 -0.900 1.398) 1.734 2.933 ( 0.328 6.708 0.682) 6.750 3.078 ( 5.728 0.558 1.828) 6.038 3.462 ( -7.445 -0.757 -3.517) 8.269 3.592 ( 6.283 -4.440 10.778) 13.242 3.900 ( -7.278 -1.837 -3.234) 8.174 4.120 ( -6.654 -5.330 -4.624) 9.699 4.333 ( 8.581 -0.048 -1.413) 8.697 4.407 ( 5.270 -4.140 -1.714) 6.918 4.542 ( -2.791 -1.266 0.655) 3.134 4.816 ( 5.395 3.664 5.586) 8.587 5.005 ( 1.498 -1.444 -2.288) 3.093 5.352 ( 7.080 -1.422 -3.343) 7.958 5.974 ( -0.461 -1.576 3.637) 3.990 6.159 ( 1.390 -4.517 0.202) 4.730 6.531 ( 0.548 -2.307 3.395) 4.141 6.758 ( -0.560 0.687 -0.169) 0.902 6.867 ( 4.718 -0.344 6.173) 7.777 7.070 ( -2.336 -3.147 -3.107) 5.001 7.186 ( 0.268 -5.129 1.185) 5.271 7.234 ( 3.840 -1.702 -6.753) 7.953 7.752 ( -3.511 12.550 -2.729) 13.315 7.847 ( 4.983 11.313 0.544) 12.374 7.973 ( 0.657 0.325 1.401) 1.581 8.114 ( -0.079 1.784 -1.468) 2.312 8.502 ( -1.116 4.571 6.617) 8.119 8.663 ( -3.720 5.658 -1.546) 6.946 8.756 ( 6.894 6.896 2.125) 9.980 9.104 ( -1.694 0.285 -4.394) 4.718 10.238 ( -5.972 1.558 1.140) 6.276 10.459 ( -12.513 9.530 -4.692) 16.414 10.550 ( 6.033 0.187 6.569) 8.921 10.868 ( -1.956 -7.558 -5.495) 9.547 11.126 ( 10.271 5.751 9.038) 14.841 11.395 ( 4.491 -6.169 -1.867) 7.855 11.795 ( -3.708 -1.534 -0.350) 4.028 12.013 ( 2.965 -1.181 -0.323) 3.208 13.144 ( 3.270 5.609 6.230) 8.998 13.512 ( -0.776 -4.765 -6.922) 8.439 13.650 ( -0.113 -2.556 1.697) 3.070 14.042 ( -0.689 -12.667 -0.724) 12.707 14.985 ( -1.050 3.747 6.200) 7.320 15.396 ( -0.275 -7.340 4.164) 8.444 15.780 ( -1.329 3.570 5.467) 6.664 15.858 ( 3.254 9.229 1.697) 9.931 16.442 ( -10.721 0.922 -6.544) 12.594 16.823 ( -11.149 -2.173 -1.673) 11.481 16.888 ( 4.850 15.874 5.099) 17.364 17.246 ( -7.126 0.717 -1.591) 7.337 17.775 ( 3.137 -5.325 -3.857) 7.285 18.763 ( 15.170 -10.429 0.122) 18.410 21.751 ( 0.438 -0.023 -3.039) 3.071 21.787 ( 1.129 -0.275 -3.339) 3.536 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -7.854 12.501 -10.351) 18.030 1.667 ( -8.987 13.399 1.707) 16.224 2.079 ( 1.270 -6.783 -1.519) 7.066 2.194 ( 1.356 -5.227 -3.087) 6.220 2.418 ( -2.462 -1.356 1.963) 3.429 2.422 ( 6.298 -4.128 -1.047) 7.603 2.552 ( 2.533 5.430 12.376) 13.750 2.789 ( 4.188 -0.387 -1.140) 4.358 2.919 ( -2.862 6.148 -3.613) 7.684 3.079 ( -2.299 5.351 -5.492) 8.005 3.265 ( -4.713 1.255 -6.048) 7.770 3.722 ( -4.880 -2.058 4.416) 6.896 3.864 ( 5.350 -6.433 9.563) 12.707 4.065 ( -0.729 -6.544 1.894) 6.852 4.216 ( -0.367 0.717 -15.042) 15.064 4.492 ( -0.217 0.219 0.084) 0.319 4.715 ( 10.632 -3.773 9.154) 14.528 4.954 ( -1.012 -0.741 -5.100) 5.252 5.006 ( 8.889 3.142 4.989) 10.667 5.443 ( 8.229 -4.177 -1.812) 9.405 6.006 ( -0.440 -0.325 3.433) 3.476 6.210 ( 2.983 -5.486 0.444) 6.260 6.589 ( -1.120 0.378 6.798) 6.900 6.710 ( -2.339 -1.495 -4.139) 4.984 6.881 ( -7.198 -1.645 -3.428) 8.141 7.065 ( 6.883 0.961 4.642) 8.357 7.224 ( -0.026 -5.301 4.793) 7.146 7.286 ( 8.367 -4.483 -6.025) 11.243 7.659 ( -3.816 9.882 -2.439) 10.870 7.929 ( 2.998 8.043 1.620) 8.735 8.006 ( 1.431 0.977 0.951) 1.976 8.120 ( 2.914 2.124 -1.045) 3.755 8.538 ( -3.620 5.452 6.067) 8.924 8.588 ( -1.169 4.614 -3.114) 5.688 8.872 ( 5.579 5.064 -1.443) 7.671 9.037 ( -0.705 3.039 -2.969) 4.307 10.109 ( -9.132 7.739 -5.054) 12.993 10.201 ( -10.522 4.845 -2.026) 11.759 10.657 ( -0.763 -12.139 -1.258) 12.228 10.789 ( -7.198 -3.611 7.605) 11.077 11.388 ( 9.423 1.584 -1.657) 9.698 11.518 ( 16.625 -0.672 4.334) 17.194 11.802 ( 2.481 -4.429 3.181) 5.991 12.043 ( 1.100 -2.684 -0.856) 3.024 13.228 ( -0.695 5.339 4.749) 7.179 13.390 ( -0.776 -5.906 -10.570) 12.132 13.680 ( -1.513 0.357 3.289) 3.638 14.020 ( -0.491 -11.224 -1.002) 11.279 15.026 ( -1.680 2.074 4.364) 5.115 15.429 ( 0.403 -6.469 2.094) 6.811 15.818 ( -0.439 3.793 3.167) 4.961 15.908 ( 0.817 9.090 1.020) 9.183 16.204 ( -10.506 0.963 -3.462) 11.103 16.665 ( -7.273 -0.075 1.956) 7.532 16.981 ( -0.141 9.591 1.185) 9.665 17.217 ( 0.984 5.532 8.684) 10.343 17.734 ( 1.040 -3.096 -9.279) 9.837 18.985 ( 12.613 -12.584 -2.218) 17.954 21.734 ( 0.699 0.395 -1.832) 2.000 21.771 ( 0.974 0.142 -2.597) 2.777 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -6.268 18.647 -10.524) 22.310 1.484 ( -14.797 16.498 2.392) 22.290 2.007 ( -6.557 -3.109 -3.861) 8.220 2.273 ( 2.722 2.178 6.423) 7.308 2.311 ( -7.278 6.181 -7.128) 11.915 2.475 ( -7.008 1.455 0.960) 7.221 2.521 ( 2.874 -1.674 -1.661) 3.718 2.896 ( 3.702 -0.484 -0.230) 3.741 2.969 ( 2.079 2.389 0.691) 3.242 3.038 ( 12.365 4.477 -1.786) 13.271 3.246 ( 7.627 -1.552 -0.900) 7.835 3.723 ( -2.923 1.752 6.841) 7.643 4.000 ( -3.269 -4.546 -0.831) 5.661 4.090 ( 1.673 -3.133 5.350) 6.422 4.120 ( 4.962 -9.002 -2.030) 10.478 4.482 ( -0.155 -0.410 -1.580) 1.639 4.790 ( -8.339 4.548 0.564) 9.515 4.971 ( 4.866 -5.669 3.593) 8.290 5.204 ( 9.842 -1.526 0.698) 9.984 5.556 ( 7.905 -6.966 -2.268) 10.778 6.061 ( 2.829 2.538 3.954) 5.485 6.226 ( -0.194 -4.536 -1.822) 4.892 6.561 ( -4.860 2.844 -4.523) 7.222 6.636 ( -3.379 2.972 2.217) 5.016 6.803 ( -2.383 -7.398 2.498) 8.164 7.195 ( 2.725 -0.023 1.612) 3.166 7.276 ( 0.342 -5.026 4.951) 7.063 7.359 ( 7.081 -3.563 -2.994) 8.474 7.589 ( -2.236 6.282 -1.219) 6.779 7.960 ( -1.476 5.738 1.818) 6.197 8.030 ( 0.458 2.553 0.415) 2.627 8.198 ( 7.614 1.181 -0.655) 7.732 8.517 ( -3.945 4.716 5.313) 8.126 8.582 ( 1.842 4.336 -2.272) 5.230 8.888 ( 1.351 3.274 -3.807) 5.200 9.017 ( 2.572 6.818 -6.208) 9.573 9.891 ( -8.660 9.972 -3.321) 13.619 10.067 ( -4.664 5.584 -3.927) 8.268 10.538 ( -10.890 -17.457 -0.102) 20.575 10.727 ( -10.214 -7.006 5.243) 13.450 11.522 ( 10.225 -0.874 -1.128) 10.324 11.853 ( 16.080 -2.139 1.491) 16.290 11.934 ( 5.225 -7.556 4.136) 10.074 12.035 ( 3.364 -2.916 -0.466) 4.476 13.192 ( -5.630 4.205 -2.358) 7.412 13.309 ( 0.930 2.924 -2.775) 4.137 13.654 ( -4.891 -0.814 1.416) 5.156 14.014 ( 0.806 -10.067 -0.568) 10.115 15.012 ( -3.274 0.424 0.366) 3.321 15.445 ( 1.473 -6.834 -2.873) 7.558 15.807 ( -1.348 3.119 -1.836) 3.863 15.907 ( -2.962 4.992 0.990) 5.889 16.086 ( -3.408 5.182 4.023) 7.393 16.642 ( -2.738 2.905 6.405) 7.548 17.008 ( 4.856 7.472 3.080) 9.429 17.358 ( 2.332 2.081 4.293) 5.310 17.647 ( -0.061 2.968 -3.789) 4.814 19.085 ( 6.009 -14.959 -7.969) 17.983 21.735 ( 0.620 1.129 0.045) 1.289 21.764 ( 0.580 0.355 -0.848) 1.087 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -0.564 23.285 -6.712) 24.239 1.279 ( -11.928 20.518 0.900) 23.750 1.847 ( -6.778 -1.250 -1.756) 7.113 2.112 ( -10.764 27.571 6.323) 30.266 2.307 ( 1.582 -1.849 -3.146) 3.977 2.529 ( 3.712 -4.076 1.871) 5.821 2.590 ( 8.856 -3.369 -3.081) 9.964 2.878 ( 1.377 7.621 -6.926) 10.389 2.960 ( 1.080 -5.778 -1.222) 6.004 3.224 ( 8.665 3.077 -2.299) 9.478 3.460 ( 9.300 -8.741 5.005) 13.710 3.753 ( -4.249 0.741 8.884) 9.876 3.917 ( -4.116 1.335 -0.255) 4.334 4.113 ( 0.498 -10.400 2.625) 10.737 4.267 ( 3.745 -4.235 4.312) 7.110 4.447 ( -0.107 -0.141 -1.789) 1.798 4.672 ( -6.037 4.538 2.153) 7.853 4.974 ( -8.537 -5.949 1.714) 10.546 5.334 ( 7.805 -0.353 -1.786) 8.015 5.652 ( 7.534 -8.576 -3.294) 11.880 6.129 ( 0.827 0.665 -1.975) 2.241 6.202 ( -0.048 -1.457 1.311) 1.960 6.480 ( 0.763 3.298 -2.904) 4.460 6.587 ( -2.765 3.754 -1.542) 4.911 6.767 ( -5.994 -7.162 0.670) 9.363 7.185 ( -4.322 -4.332 1.416) 6.281 7.338 ( 3.423 -0.254 -0.057) 3.433 7.452 ( 3.978 -3.038 2.760) 5.716 7.574 ( 0.537 3.984 2.203) 4.584 7.923 ( -3.892 3.843 0.112) 5.471 8.033 ( -1.157 4.317 1.004) 4.581 8.307 ( 6.800 -2.155 -2.944) 7.717 8.525 ( -2.878 -0.253 -3.570) 4.592 8.601 ( 2.754 9.376 6.735) 11.868 8.854 ( 0.784 3.958 -6.256) 7.444 8.985 ( 5.539 5.985 -6.782) 10.607 9.815 ( 0.963 5.934 0.312) 6.020 9.943 ( -3.791 9.675 -5.384) 11.703 10.331 ( -17.667 -10.636 7.691) 22.009 10.643 ( -3.697 -14.166 1.394) 14.707 11.643 ( 5.260 -2.182 -1.161) 5.812 11.865 ( -3.065 -6.423 -8.139) 10.811 12.096 ( 11.649 -6.393 3.451) 13.729 12.242 ( 9.090 -5.395 4.676) 11.558 13.075 ( -4.786 8.911 -0.929) 10.157 13.327 ( 2.041 6.306 0.199) 6.631 13.573 ( -5.940 0.935 2.083) 6.363 14.025 ( 0.967 -9.799 -0.811) 9.880 14.941 ( -2.753 -0.688 -3.405) 4.432 15.407 ( 1.217 -7.255 -7.296) 10.361 15.788 ( 1.132 2.932 0.053) 3.144 15.851 ( -3.640 1.312 0.411) 3.891 16.117 ( -2.170 6.894 5.479) 9.069 16.658 ( -2.058 2.466 3.459) 4.720 17.211 ( 7.632 6.485 0.695) 10.040 17.312 ( 1.718 -0.627 -5.802) 6.084 17.709 ( -0.069 6.767 10.264) 12.294 19.017 ( 1.502 -13.943 -12.080) 18.509 21.751 ( 0.206 1.972 1.677) 2.597 21.777 ( 0.469 -0.054 1.740) 1.803 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.214 11.618 0.731) 11.643 1.609 ( 1.365 17.054 -8.776) 19.229 1.772 ( 4.458 0.153 1.122) 4.599 2.185 ( -0.033 -3.226 -9.639) 10.165 2.282 ( 5.094 -2.860 -1.188) 5.962 2.556 ( 1.505 -5.850 -4.915) 7.787 2.761 ( -3.810 6.166 0.442) 7.261 2.937 ( -0.594 2.320 -6.783) 7.193 3.016 ( -3.390 11.565 5.607) 13.293 3.262 ( 5.298 -0.410 -7.938) 9.553 3.387 ( 2.663 -5.980 -0.240) 6.551 3.571 ( -6.255 -5.644 2.061) 8.673 3.899 ( -5.590 -0.490 7.752) 9.570 4.060 ( -0.085 -6.090 10.744) 12.350 4.313 ( 0.042 3.991 3.008) 4.998 4.501 ( 6.372 -4.412 6.633) 10.201 4.754 ( -2.091 5.480 1.359) 6.021 4.825 ( -4.372 2.047 1.019) 4.934 5.373 ( 1.746 -1.232 -1.690) 2.725 5.503 ( 0.703 -8.105 -3.036) 8.684 6.092 ( -1.141 0.582 -1.245) 1.786 6.184 ( 0.485 -2.848 1.676) 3.340 6.528 ( 1.380 1.497 -0.455) 2.086 6.613 ( -2.123 2.389 -3.609) 4.821 6.699 ( -0.515 5.841 -1.415) 6.032 7.029 ( -1.500 -5.990 -2.802) 6.781 7.357 ( 0.532 -0.135 0.396) 0.677 7.452 ( 0.541 -3.309 2.392) 4.119 7.716 ( 0.319 4.591 3.879) 6.018 7.893 ( -1.360 -1.442 -0.137) 1.987 8.121 ( -1.093 5.555 0.098) 5.663 8.283 ( 1.569 -4.066 -0.747) 4.421 8.397 ( -1.182 3.423 -9.576) 10.238 8.693 ( 0.947 -4.850 -7.328) 8.838 8.993 ( -0.524 8.550 0.305) 8.572 9.120 ( 3.553 0.733 1.075) 3.784 9.856 ( 2.435 2.874 -2.015) 4.272 10.012 ( -2.761 -0.800 1.075) 3.069 10.210 ( 2.458 0.910 6.974) 7.450 10.344 ( -0.743 -9.514 2.016) 9.754 11.584 ( -0.736 -1.347 -4.744) 4.986 11.677 ( -0.556 -3.877 -4.980) 6.335 12.145 ( 0.642 -2.421 3.743) 4.503 12.206 ( -1.820 -5.602 4.491) 7.407 13.256 ( 2.588 7.888 0.032) 8.302 13.360 ( -0.400 1.595 -5.123) 5.380 13.674 ( 1.058 1.773 7.289) 7.576 13.814 ( -3.085 -8.180 1.931) 8.953 14.880 ( 0.322 2.971 -6.377) 7.043 15.166 ( 1.397 -8.698 -8.791) 12.445 15.827 ( 1.996 0.034 2.478) 3.183 15.850 ( 1.137 -0.754 1.581) 2.088 16.333 ( -6.837 12.523 1.517) 14.348 16.646 ( -5.794 -2.005 -1.688) 6.359 17.186 ( 2.549 5.741 -2.319) 6.696 17.469 ( 2.431 -2.509 6.070) 7.004 17.966 ( -1.764 13.333 0.916) 13.480 18.666 ( 5.243 -16.371 -6.582) 18.407 21.803 ( -0.304 0.579 2.708) 2.786 21.813 ( 0.390 0.154 2.975) 3.004 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 5.520 7.743 -1.853) 9.688 1.665 ( 11.036 8.998 0.893) 14.267 1.849 ( 3.619 -0.035 -5.930) 6.947 2.093 ( 3.396 -0.116 -7.437) 8.176 2.316 ( 1.772 -0.788 -4.497) 4.898 2.505 ( -1.100 -4.034 -2.302) 4.773 2.687 ( -4.019 5.585 -1.833) 7.121 2.853 ( -2.778 3.465 -5.038) 6.716 2.907 ( -7.724 -3.872 -1.548) 8.778 3.237 ( 0.174 -8.168 -7.184) 10.879 3.461 ( -0.251 3.739 9.010) 9.758 3.499 ( -3.900 1.928 3.117) 5.352 3.942 ( -1.275 -0.543 8.926) 9.033 4.103 ( -4.748 -0.248 4.757) 6.726 4.434 ( 3.862 0.115 8.947) 9.746 4.590 ( -3.182 -2.407 1.630) 4.310 4.737 ( 0.572 1.576 -1.583) 2.306 4.813 ( 0.969 2.652 2.477) 3.756 5.338 ( -3.663 1.205 -1.644) 4.192 5.471 ( -0.061 -5.627 -1.411) 5.802 6.052 ( -3.015 1.752 -0.127) 3.490 6.203 ( -1.096 -4.106 1.096) 4.389 6.508 ( -2.221 3.322 -2.514) 4.721 6.590 ( 2.659 -0.677 0.663) 2.823 6.702 ( 3.487 4.614 -2.078) 6.145 6.955 ( -2.033 -6.169 -5.461) 8.486 7.338 ( -4.521 0.151 1.570) 4.789 7.458 ( -2.490 -4.117 1.443) 5.023 7.781 ( 2.620 3.731 4.243) 6.228 7.903 ( 2.461 -1.750 -0.417) 3.048 8.100 ( -0.880 8.305 -1.963) 8.579 8.260 ( -0.984 -1.000 -1.079) 1.770 8.360 ( 5.417 2.525 -4.546) 7.509 8.651 ( 3.927 -7.613 -7.256) 11.226 8.964 ( -1.647 7.224 0.515) 7.428 9.133 ( -2.226 -0.565 -1.752) 2.889 9.953 ( 7.852 2.453 0.985) 8.285 10.028 ( 4.544 2.320 0.343) 5.113 10.359 ( 6.136 -3.677 6.109) 9.407 10.385 ( 3.977 -5.126 -0.406) 6.500 11.531 ( -0.229 -2.440 -2.414) 3.440 11.594 ( -2.189 -4.508 -6.300) 8.050 12.075 ( -11.323 1.218 1.648) 11.507 12.185 ( -7.717 -5.203 4.853) 10.497 13.287 ( 0.766 4.897 -3.220) 5.911 13.371 ( 6.938 1.374 0.373) 7.083 13.745 ( -2.538 -3.238 3.156) 5.185 13.769 ( -4.196 -3.152 4.921) 7.194 14.840 ( 3.504 2.042 -6.524) 7.682 15.085 ( 1.743 -7.783 -10.589) 13.257 15.907 ( 2.698 -0.197 1.905) 3.309 15.934 ( 7.204 -0.505 3.915) 8.214 16.240 ( -5.349 9.760 1.518) 11.233 16.500 ( -6.925 -3.308 -4.848) 9.078 17.228 ( 0.158 10.635 4.237) 11.449 17.467 ( -3.759 9.204 -1.752) 10.095 17.984 ( -0.753 4.553 5.790) 7.404 18.672 ( 4.106 -17.803 -8.204) 20.027 21.827 ( -0.768 0.561 3.209) 3.347 21.850 ( -0.108 -0.289 3.208) 3.223 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 7.636 3.547 -0.083) 8.420 1.738 ( 0.928 -2.183 -9.640) 9.927 1.927 ( 14.493 5.868 3.283) 15.977 2.131 ( 5.647 -3.046 -4.645) 7.921 2.297 ( 1.665 2.698 -1.977) 3.736 2.429 ( -4.258 1.446 -6.889) 8.227 2.586 ( -5.576 6.908 -0.020) 8.878 2.720 ( -5.976 -4.065 -1.569) 7.396 2.846 ( 1.060 -4.737 -2.442) 5.434 3.180 ( -2.221 -10.946 -0.004) 11.169 3.473 ( -1.444 4.071 -0.166) 4.323 3.570 ( 0.426 1.892 8.701) 8.914 3.973 ( -5.050 7.612 4.199) 10.054 4.113 ( -0.457 -0.452 8.130) 8.156 4.486 ( -7.829 -3.314 -4.411) 9.577 4.528 ( -0.573 -4.211 3.412) 5.450 4.667 ( -5.110 4.656 -0.803) 6.959 4.873 ( 1.402 -4.187 -1.209) 4.578 5.239 ( -7.150 6.745 0.171) 9.831 5.490 ( 0.254 -3.579 2.715) 4.500 6.001 ( -3.528 2.221 1.311) 4.371 6.162 ( -3.587 -3.043 0.123) 4.706 6.477 ( 0.484 2.772 -0.417) 2.845 6.642 ( 2.789 -2.228 -0.244) 3.578 6.778 ( 4.854 -0.876 -0.918) 5.017 6.855 ( -0.967 -6.150 -3.574) 7.179 7.259 ( -6.495 1.641 1.138) 6.795 7.405 ( -4.389 -4.598 -0.499) 6.376 7.904 ( 5.762 4.279 6.022) 9.369 7.953 ( 2.958 -0.436 1.576) 3.380 8.061 ( -0.540 6.790 -2.231) 7.168 8.268 ( 1.649 2.271 0.510) 2.853 8.393 ( 2.495 3.233 -4.298) 5.929 8.659 ( 5.644 -7.061 -5.056) 10.357 8.968 ( 1.383 5.720 -0.111) 5.886 9.045 ( -5.420 2.698 -1.409) 6.216 10.044 ( 5.513 1.764 -1.050) 5.883 10.193 ( 12.312 -0.068 0.603) 12.327 10.433 ( 4.593 0.472 -3.136) 5.582 10.524 ( 7.752 -5.262 2.584) 9.719 11.478 ( -4.540 -3.279 -4.382) 7.111 11.537 ( 0.510 -4.368 2.808) 5.217 11.875 ( -13.959 5.422 1.516) 15.051 12.073 ( -9.212 -4.782 1.269) 10.457 13.261 ( 0.501 4.015 -3.302) 5.223 13.501 ( 7.336 -3.680 0.232) 8.211 13.670 ( -6.652 -4.869 2.042) 8.492 13.776 ( -4.239 0.807 4.130) 5.973 14.850 ( 4.936 0.431 -4.451) 6.660 15.006 ( 2.651 -6.115 -9.303) 11.444 15.921 ( -2.602 4.827 -1.232) 5.620 16.136 ( 12.999 -2.610 1.951) 13.401 16.258 ( 2.211 3.317 8.098) 9.026 16.349 ( -5.850 -1.213 -2.363) 6.425 17.237 ( -2.408 16.058 -0.968) 16.266 17.404 ( -1.492 11.531 1.032) 11.673 18.025 ( -3.607 -1.730 6.441) 7.582 18.598 ( -0.819 -17.579 -10.177) 20.329 21.845 ( -1.066 0.457 2.705) 2.943 21.874 ( -0.843 -0.634 2.451) 2.669 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 5.139 3.926 -5.473) 8.472 1.822 ( 8.884 -0.357 0.968) 8.943 2.086 ( 2.253 -0.041 -4.032) 4.619 2.180 ( 5.587 -3.319 -2.153) 6.846 2.289 ( -1.820 2.524 -3.095) 4.389 2.324 ( 2.777 0.193 0.654) 2.859 2.562 ( 0.794 5.177 1.610) 5.480 2.635 ( -4.769 -1.826 1.344) 5.280 2.858 ( 2.209 -2.040 -0.908) 3.142 3.123 ( -6.339 -8.642 0.071) 10.717 3.392 ( -4.458 8.041 -5.413) 10.670 3.643 ( -1.934 -2.362 3.427) 4.589 3.980 ( 0.465 2.049 5.292) 5.693 4.163 ( -3.891 -3.621 1.535) 5.532 4.300 ( -5.725 3.077 -0.589) 6.526 4.539 ( -1.733 -0.369 -1.852) 2.563 4.615 ( -0.368 0.197 5.360) 5.376 4.797 ( -4.367 -8.097 -5.930) 10.946 5.115 ( -10.228 8.629 2.349) 13.587 5.459 ( -6.651 -4.408 -0.672) 8.007 5.988 ( -0.800 2.899 2.783) 4.098 6.149 ( 0.473 -2.717 3.402) 4.380 6.483 ( -0.324 1.804 -0.182) 1.842 6.667 ( -2.460 -7.255 -2.007) 7.919 6.708 ( 1.116 3.646 -2.583) 4.605 6.975 ( 7.485 -7.897 3.984) 11.587 7.167 ( -5.001 2.753 -0.818) 5.767 7.319 ( -4.192 -3.763 -2.239) 6.062 8.005 ( -0.700 0.885 3.741) 3.908 8.037 ( -0.562 4.834 -0.395) 4.882 8.091 ( 5.641 3.372 8.314) 10.598 8.299 ( 0.770 -1.672 -5.615) 5.909 8.349 ( 2.094 12.274 0.305) 12.455 8.709 ( 4.299 0.048 -3.486) 5.535 8.941 ( -5.209 5.188 0.236) 7.356 8.996 ( 3.358 -0.633 -3.193) 4.677 10.134 ( 6.976 4.093 -1.195) 8.176 10.374 ( 8.502 -5.502 -0.037) 10.127 10.461 ( 6.220 6.500 -6.927) 11.354 10.668 ( 7.175 -6.699 2.105) 10.039 11.351 ( -9.180 1.331 1.470) 9.391 11.569 ( -5.997 -3.467 6.207) 9.301 11.730 ( -1.534 4.859 -0.213) 5.100 11.958 ( -3.947 -4.800 -1.408) 6.372 13.219 ( -1.923 4.429 -2.858) 5.611 13.556 ( 1.107 -14.307 -4.127) 14.932 13.639 ( -1.504 0.957 6.228) 6.478 13.721 ( -5.322 2.048 0.867) 5.768 14.885 ( 4.064 0.679 -2.671) 4.911 14.998 ( 5.362 -5.524 -3.636) 8.514 15.829 ( -5.299 8.173 -1.952) 9.934 16.193 ( -4.866 -6.070 -2.651) 8.219 16.408 ( 11.831 4.114 3.661) 13.050 16.488 ( 11.347 -2.100 10.440) 15.562 17.163 ( -0.225 20.982 -6.378) 21.931 17.424 ( -0.788 6.651 3.872) 7.736 17.987 ( -8.760 -4.268 4.658) 10.800 18.437 ( -4.515 -16.467 -10.459) 20.023 21.851 ( -1.112 0.228 1.439) 1.833 21.874 ( -1.427 -0.717 0.948) 1.857 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 10.135 4.070 -3.265) 11.399 1.939 ( 4.306 -2.420 -0.983) 5.036 2.081 ( 2.705 0.084 -1.068) 2.910 2.200 ( 3.086 -2.645 -2.142) 4.594 2.263 ( -0.653 4.755 -1.896) 5.161 2.376 ( -0.157 -2.176 1.337) 2.559 2.575 ( -1.096 1.568 1.808) 2.632 2.647 ( 1.697 0.251 3.627) 4.012 2.877 ( 0.753 1.662 -0.715) 1.960 2.997 ( -5.779 -1.921 -0.849) 6.148 3.256 ( -4.341 6.233 -4.479) 8.818 3.561 ( -8.959 -8.210 0.171) 12.153 3.974 ( -4.608 1.010 -1.377) 4.915 4.159 ( 4.278 -3.194 2.252) 5.794 4.283 ( -1.297 2.711 0.631) 3.071 4.484 ( 0.694 0.112 -4.684) 4.737 4.677 ( -2.300 -6.264 -3.366) 7.474 4.725 ( 1.740 -3.501 8.300) 9.175 4.964 ( -11.397 7.081 2.701) 13.686 5.303 ( -8.777 -4.829 -1.982) 10.212 6.015 ( 0.189 3.556 2.106) 4.137 6.222 ( 2.065 -4.307 3.203) 5.751 6.450 ( -2.233 1.631 -1.014) 2.945 6.573 ( -4.417 -6.614 0.005) 7.953 6.768 ( 3.648 5.615 1.508) 6.864 7.079 ( -1.684 3.121 -2.115) 4.129 7.117 ( 3.892 -9.626 1.954) 10.565 7.227 ( -3.137 -3.361 -3.554) 5.811 8.001 ( -3.410 0.934 1.364) 3.789 8.012 ( -2.208 3.339 1.342) 4.222 8.187 ( -0.784 9.289 -1.549) 9.450 8.263 ( 0.987 3.023 3.956) 5.075 8.490 ( 8.299 8.991 4.505) 13.039 8.662 ( -2.669 8.099 -6.403) 10.664 8.902 ( -1.129 4.133 0.704) 4.342 9.021 ( 4.425 -8.423 -3.279) 10.064 10.231 ( 5.673 5.974 -0.199) 8.241 10.433 ( 1.540 1.417 -1.804) 2.763 10.519 ( 8.453 -0.421 -4.632) 9.648 10.796 ( 5.128 -7.508 2.403) 9.405 11.223 ( -9.427 5.959 2.492) 11.427 11.476 ( -9.408 0.401 3.706) 10.120 11.801 ( 6.222 0.820 -0.339) 6.285 11.930 ( 1.270 -4.525 0.160) 4.702 13.138 ( -3.846 6.116 -2.298) 7.581 13.526 ( -0.182 -15.700 -2.022) 15.831 13.636 ( -5.124 3.632 1.845) 6.546 13.697 ( 1.140 -4.100 2.291) 4.833 14.941 ( 4.645 2.285 0.545) 5.205 15.065 ( 3.659 -4.308 0.777) 5.705 15.743 ( -2.843 7.874 -0.553) 8.390 16.078 ( -6.813 -3.906 -0.524) 7.871 16.628 ( 11.214 5.342 1.370) 12.497 16.804 ( 13.198 -4.856 8.748) 16.562 17.116 ( 2.445 21.172 -5.098) 21.914 17.435 ( -1.247 4.035 0.425) 4.245 17.850 ( -13.283 -5.025 3.624) 14.657 18.256 ( -3.751 -16.093 -8.821) 18.731 21.840 ( -0.944 -0.140 -0.312) 1.004 21.851 ( -1.352 -0.580 -0.808) 1.678 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 7.541 -0.002 -6.198) 9.761 1.924 ( -0.073 -1.952 -7.611) 7.857 2.074 ( -4.489 2.043 -1.887) 5.280 2.189 ( 2.036 0.670 -4.851) 5.303 2.320 ( 3.340 2.720 9.195) 10.154 2.385 ( 0.031 0.224 1.168) 1.190 2.550 ( -4.242 0.521 1.045) 4.400 2.701 ( 1.830 -3.781 -1.134) 4.351 2.891 ( 2.518 3.694 -0.026) 4.471 2.960 ( -0.825 0.971 1.736) 2.154 3.233 ( 2.465 4.584 6.819) 8.578 3.450 ( -4.599 -7.881 3.104) 9.638 3.908 ( -0.993 3.570 -1.719) 4.084 4.199 ( -0.384 2.183 -3.274) 3.954 4.261 ( -0.524 -8.414 -1.648) 8.590 4.440 ( 2.215 -3.032 -7.824) 8.678 4.655 ( 0.220 -2.187 -0.135) 2.203 4.798 ( -3.437 -2.906 3.451) 5.671 4.851 ( -4.450 5.339 5.434) 8.822 5.189 ( -3.459 -5.099 0.601) 6.191 6.022 ( -1.008 3.395 -0.137) 3.545 6.218 ( -2.160 -4.029 -3.924) 6.025 6.448 ( 0.031 0.494 3.600) 3.634 6.548 ( -0.940 -5.300 4.462) 6.991 6.821 ( 0.303 5.508 1.170) 5.640 7.047 ( 1.212 3.337 -0.983) 3.684 7.147 ( -1.489 -3.776 -3.984) 5.687 7.183 ( 2.460 -9.111 -0.299) 9.442 7.968 ( -0.770 3.717 0.721) 3.864 7.995 ( -2.818 3.830 2.369) 5.312 8.149 ( -0.805 10.768 -2.334) 11.047 8.312 ( -0.468 3.750 3.809) 5.365 8.492 ( -2.154 5.947 -10.140) 11.951 8.700 ( 4.268 10.710 8.835) 14.525 8.868 ( -1.162 0.041 -4.419) 4.570 9.071 ( 3.630 -7.289 -0.110) 8.144 10.304 ( 2.450 5.981 1.117) 6.559 10.442 ( 1.949 3.735 -0.326) 4.225 10.627 ( 7.972 -2.267 0.887) 8.335 10.861 ( -0.511 -9.057 2.231) 9.342 11.105 ( -5.747 9.558 -1.675) 11.278 11.371 ( -6.343 0.530 0.280) 6.371 11.872 ( 3.875 1.016 -0.442) 4.030 11.962 ( -0.225 -4.068 0.394) 4.093 13.086 ( -0.141 6.756 0.126) 6.759 13.495 ( -0.302 -15.179 -3.494) 15.579 13.596 ( -2.604 3.964 2.660) 5.437 13.741 ( 0.323 -7.796 3.227) 8.444 15.030 ( 2.661 4.105 2.967) 5.722 15.118 ( 0.894 -3.127 3.484) 4.766 15.739 ( 1.144 5.089 1.977) 5.578 15.977 ( -4.746 -1.293 0.105) 4.920 16.771 ( 5.031 7.800 -0.496) 9.294 17.028 ( 3.757 -5.086 2.905) 6.958 17.126 ( 2.195 18.374 -1.407) 18.558 17.403 ( 1.661 2.614 -3.975) 5.039 17.671 ( -12.526 -4.587 3.938) 13.909 18.170 ( 3.387 -16.447 -4.796) 17.464 21.812 ( -0.616 -0.334 -2.308) 2.412 21.821 ( -0.419 -0.567 -2.023) 2.142 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 2.022 1.492 -6.420) 6.894 1.874 ( 3.075 -1.369 -5.919) 6.809 1.969 ( -3.171 1.772 -2.277) 4.287 2.170 ( 0.438 -4.805 -4.176) 6.381 2.331 ( -5.726 -0.890 -2.056) 6.149 2.392 ( 0.684 1.035 -1.567) 1.999 2.606 ( 1.424 2.500 5.784) 6.460 2.689 ( -0.179 0.066 3.044) 3.050 2.947 ( 2.563 0.426 0.340) 2.620 2.983 ( 0.887 -0.197 4.179) 4.276 3.419 ( 3.510 5.471 11.210) 12.958 3.515 ( 4.679 -0.305 6.470) 7.990 3.904 ( 2.168 0.080 -1.379) 2.571 4.127 ( -2.899 -2.789 -3.542) 5.360 4.193 ( -1.136 -2.779 -5.521) 6.284 4.399 ( 2.835 -4.075 -7.075) 8.643 4.621 ( -3.333 -0.434 -1.463) 3.666 4.778 ( -0.892 -1.147 2.111) 2.562 4.893 ( 1.894 1.615 4.000) 4.711 5.210 ( 4.388 -5.496 0.282) 7.038 5.985 ( -1.662 2.428 -1.520) 3.312 6.125 ( -2.409 -3.062 -4.323) 5.819 6.484 ( -0.027 0.920 3.561) 3.678 6.645 ( 2.998 -4.559 8.378) 9.998 6.808 ( -2.256 3.590 0.530) 4.273 7.077 ( -0.534 -3.097 -2.857) 4.247 7.091 ( 1.597 -1.051 -0.525) 1.982 7.198 ( 1.993 -4.382 -2.990) 5.667 7.975 ( -2.186 4.166 1.504) 4.939 7.995 ( 1.793 3.953 1.575) 4.618 8.092 ( -2.285 10.451 -3.404) 11.227 8.314 ( -1.049 12.140 -5.107) 13.212 8.415 ( 0.920 -3.883 3.458) 5.281 8.775 ( -2.135 -3.642 -6.846) 8.043 8.840 ( 2.584 9.834 6.207) 11.913 9.115 ( 1.366 -3.037 0.200) 3.336 10.323 ( -2.130 4.507 1.894) 5.332 10.485 ( 1.390 1.436 1.550) 2.529 10.764 ( 3.528 -0.408 1.047) 3.703 10.853 ( -4.468 -4.152 6.069) 8.604 11.010 ( 1.052 7.568 -4.452) 8.843 11.293 ( -0.752 -1.288 -3.136) 3.473 11.888 ( -5.232 -0.081 -0.497) 5.256 11.940 ( 1.672 -1.576 0.371) 2.328 13.143 ( 4.760 5.467 2.410) 7.639 13.439 ( 0.060 -10.651 -6.094) 12.271 13.612 ( -0.534 2.136 4.508) 5.017 13.769 ( -1.301 -10.067 3.199) 10.643 15.063 ( -1.728 4.838 3.455) 6.191 15.189 ( 0.748 -4.525 5.504) 7.164 15.797 ( 1.193 3.762 4.227) 5.783 15.949 ( 1.391 1.590 -0.124) 2.116 16.744 ( -8.005 7.498 -0.968) 11.011 16.966 ( -10.968 -3.184 0.257) 11.424 17.148 ( 4.297 16.434 -1.518) 17.054 17.368 ( -2.991 -1.248 -5.166) 6.099 17.631 ( 3.749 -0.282 2.440) 4.482 18.262 ( 11.088 -16.907 -1.149) 20.251 21.778 ( 0.194 -0.134 -3.147) 3.156 21.794 ( 0.558 -0.773 -3.051) 3.196 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -3.290 2.295 0.903) 4.112 1.848 ( 4.566 4.500 -2.168) 6.767 1.976 ( 7.291 -0.893 -4.823) 8.788 2.107 ( 0.260 -7.599 -5.628) 9.460 2.266 ( -0.121 -0.601 0.281) 0.675 2.348 ( -1.379 -1.521 -4.090) 4.576 2.610 ( -3.347 4.836 4.045) 7.138 2.751 ( -0.853 -2.111 4.090) 4.681 2.993 ( 1.901 0.137 2.625) 3.244 3.059 ( 2.368 -2.150 1.058) 3.369 3.539 ( -2.606 5.690 5.125) 8.089 3.598 ( -0.633 4.774 4.767) 6.776 3.875 ( -2.950 -0.054 -3.509) 4.584 4.029 ( -2.971 -3.455 -3.690) 5.863 4.281 ( 11.829 -3.662 6.253) 13.872 4.354 ( 1.377 -1.229 -8.989) 9.176 4.550 ( -1.223 2.186 -3.095) 3.981 4.820 ( 5.502 -6.351 -1.100) 8.474 4.997 ( 4.571 4.483 4.223) 7.670 5.285 ( 5.960 -5.092 -3.124) 8.439 5.968 ( 0.037 0.939 1.625) 1.877 6.071 ( 0.567 -3.698 -2.165) 4.322 6.537 ( 0.266 3.001 5.835) 6.567 6.754 ( -2.703 -1.816 1.990) 3.817 6.819 ( 4.497 -2.368 7.016) 8.663 6.989 ( -5.039 -5.974 -2.501) 8.206 7.127 ( 2.162 0.776 -1.416) 2.698 7.200 ( 4.248 -1.618 -4.992) 6.752 7.936 ( -4.106 3.243 -1.357) 5.405 7.997 ( -1.315 2.981 -0.178) 3.263 8.083 ( 2.427 10.858 1.720) 11.259 8.240 ( -0.010 9.229 -4.798) 10.402 8.518 ( 2.380 -2.739 6.891) 7.788 8.668 ( -1.401 -4.653 -6.696) 8.273 8.924 ( 1.971 8.106 2.786) 8.795 9.115 ( -1.106 -0.091 -0.315) 1.154 10.279 ( -5.858 2.790 2.242) 6.865 10.470 ( -4.462 -4.136 -1.475) 6.260 10.681 ( -9.424 5.587 -3.963) 11.651 10.826 ( -4.660 4.290 5.717) 8.533 11.171 ( 13.802 -2.620 4.330) 14.701 11.288 ( 5.688 -2.424 -4.118) 7.429 11.788 ( -4.821 1.675 0.039) 5.104 11.967 ( 0.087 -3.486 0.761) 3.569 13.258 ( 5.109 4.463 2.835) 7.353 13.376 ( 1.593 -4.129 -7.298) 8.535 13.656 ( -0.208 -0.378 3.483) 3.509 13.769 ( -2.694 -11.303 3.150) 12.039 15.076 ( -1.990 4.025 4.328) 6.236 15.243 ( -1.038 -6.009 5.146) 7.979 15.861 ( 0.965 4.526 3.892) 6.047 15.995 ( 4.151 2.038 -1.523) 4.868 16.533 ( -14.498 7.168 -0.794) 16.192 16.779 ( -14.104 -2.424 4.651) 15.048 17.200 ( 0.658 9.267 -2.150) 9.536 17.273 ( 1.855 3.015 -4.031) 5.365 17.730 ( 6.699 4.599 -2.134) 8.402 18.460 ( 13.257 -18.175 -0.419) 22.500 21.752 ( 0.808 0.165 -2.965) 3.078 21.775 ( 1.348 -0.736 -3.102) 3.461 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -5.056 7.930 -3.140) 9.915 1.912 ( 0.465 8.467 1.671) 8.643 1.983 ( -4.246 -1.589 -2.615) 5.234 2.105 ( 9.521 -1.007 -4.121) 10.423 2.307 ( 2.216 -6.341 -3.579) 7.611 2.341 ( 2.542 -5.507 2.675) 6.629 2.647 ( 3.851 3.630 6.558) 8.427 2.762 ( 0.182 -1.478 1.079) 1.840 3.005 ( -5.266 1.239 -2.656) 6.027 3.090 ( 5.351 -2.946 0.163) 6.110 3.443 ( -7.968 10.676 -1.388) 13.393 3.620 ( -4.740 -3.971 6.641) 9.074 3.867 ( 3.017 4.318 1.424) 5.457 3.981 ( -0.594 -1.246 1.470) 2.016 4.232 ( 0.124 1.231 -13.974) 14.028 4.466 ( 2.133 -5.792 -2.153) 6.537 4.630 ( 11.457 0.069 6.522) 13.183 4.881 ( 2.558 -6.183 -2.832) 7.265 5.108 ( 5.368 5.992 1.795) 8.243 5.346 ( 5.971 -4.893 -2.204) 8.028 6.011 ( 1.389 0.606 3.729) 4.025 6.098 ( 3.135 -4.500 0.251) 5.490 6.612 ( -0.726 2.483 8.102) 8.505 6.687 ( -4.860 -0.297 -1.740) 5.170 6.883 ( -5.118 -0.462 -1.105) 5.256 6.996 ( 4.933 -7.414 7.809) 11.844 7.137 ( 3.490 0.214 -3.318) 4.820 7.234 ( 6.547 -2.121 -4.714) 8.342 7.834 ( -5.500 6.107 -1.661) 8.384 7.995 ( -0.984 -0.634 2.013) 2.329 8.132 ( 1.063 10.061 1.288) 10.199 8.218 ( 1.755 5.977 -1.808) 6.486 8.592 ( -2.075 -2.107 0.301) 2.972 8.606 ( 2.187 -0.992 -0.238) 2.413 8.966 ( 1.640 4.545 -1.076) 4.950 9.092 ( -0.481 0.851 -0.022) 0.978 10.200 ( -7.015 0.804 2.852) 7.615 10.318 ( -9.837 0.351 -3.587) 10.477 10.460 ( -9.980 1.724 -6.184) 11.866 10.783 ( -10.406 -0.881 5.421) 11.766 11.348 ( 10.560 -1.781 -2.516) 11.001 11.506 ( 15.074 -3.107 6.691) 16.783 11.760 ( 0.918 1.591 0.766) 1.990 11.959 ( -0.686 -5.068 -0.860) 5.186 13.335 ( 2.789 1.565 -6.782) 7.498 13.349 ( 2.421 5.026 2.388) 6.068 13.660 ( -1.863 -2.733 0.113) 3.309 13.769 ( -1.997 -11.231 4.108) 12.124 15.082 ( -2.898 3.162 3.303) 5.413 15.276 ( -0.635 -6.689 3.349) 7.507 15.893 ( -0.232 3.442 -0.390) 3.472 16.004 ( -0.716 -0.320 -3.672) 3.755 16.345 ( -8.911 11.145 4.303) 14.904 16.664 ( -9.201 -1.424 10.504) 14.036 17.127 ( -1.194 4.991 -4.918) 7.108 17.320 ( 4.398 0.341 -2.937) 5.300 17.798 ( 5.609 12.453 -2.419) 13.870 18.640 ( 10.295 -19.670 -2.513) 22.344 21.742 ( 1.175 0.498 -1.802) 2.208 21.769 ( 1.348 -0.427 -2.161) 2.583 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -2.190 13.763 -6.310) 15.298 1.767 ( -12.463 9.203 1.606) 15.576 1.967 ( 0.081 0.565 -4.153) 4.192 2.221 ( -0.066 -1.742 -0.598) 1.843 2.330 ( 6.302 -7.140 -1.683) 9.671 2.342 ( 5.049 -1.965 -3.075) 6.229 2.762 ( -3.418 7.102 2.921) 8.406 2.876 ( -1.362 3.792 -2.169) 4.576 2.916 ( 12.884 -5.535 8.131) 16.209 3.181 ( 5.711 1.558 -2.949) 6.614 3.318 ( -2.667 9.685 -4.329) 10.939 3.629 ( -3.434 -9.545 6.982) 12.314 3.903 ( -1.486 0.394 3.708) 4.014 4.019 ( -2.651 -2.564 0.625) 3.741 4.147 ( 6.379 5.877 -2.886) 9.141 4.445 ( 0.929 -4.083 -5.116) 6.611 4.814 ( -2.213 -2.881 -1.037) 3.778 4.858 ( 1.786 -2.570 5.892) 6.672 5.222 ( 7.831 2.985 -0.782) 8.417 5.421 ( 5.418 -5.814 -1.542) 8.095 6.089 ( 2.417 0.367 3.727) 4.458 6.139 ( 1.151 -3.258 0.210) 3.462 6.581 ( -3.816 1.714 -3.232) 5.286 6.673 ( -1.730 -1.479 5.641) 6.083 6.804 ( -3.833 5.368 -0.397) 6.608 7.069 ( -0.418 -8.389 0.887) 8.447 7.226 ( 7.349 -0.454 1.070) 7.440 7.304 ( 6.845 -2.678 -2.590) 7.793 7.739 ( -4.817 7.353 0.018) 8.790 7.992 ( -2.979 -2.776 2.476) 4.766 8.147 ( -0.060 8.119 0.432) 8.130 8.241 ( 1.664 2.328 -0.183) 2.868 8.557 ( -0.298 0.385 -2.062) 2.119 8.648 ( 1.764 1.537 2.165) 3.188 8.967 ( 1.443 3.640 -1.658) 4.253 9.091 ( 1.165 0.099 -3.173) 3.381 10.086 ( -9.709 3.221 -3.199) 10.718 10.155 ( -6.777 3.648 4.374) 8.852 10.247 ( -7.951 -4.856 -5.644) 10.893 10.607 ( -14.783 -5.940 1.469) 15.999 11.510 ( 8.740 1.025 1.098) 8.868 11.757 ( 4.732 -8.459 3.402) 10.272 11.841 ( 9.019 0.822 -0.414) 9.066 11.965 ( 5.492 -3.702 0.110) 6.625 13.302 ( 0.381 6.279 -4.504) 7.737 13.400 ( 1.678 4.903 1.357) 5.357 13.615 ( -2.675 -2.986 -0.690) 4.068 13.791 ( -0.645 -10.426 3.567) 11.038 15.044 ( -4.046 2.969 -0.064) 5.019 15.282 ( -0.533 -7.677 -1.086) 7.772 15.844 ( -2.326 1.475 -2.722) 3.872 15.916 ( -4.195 -1.725 -2.268) 5.071 16.345 ( -2.325 15.000 8.922) 17.607 16.693 ( -3.838 0.591 10.301) 11.009 17.112 ( 4.678 2.809 -0.330) 5.466 17.308 ( 1.952 -5.572 -8.530) 10.374 17.877 ( 4.814 17.234 1.456) 17.952 18.717 ( 4.789 -19.583 -5.945) 21.019 21.751 ( 1.124 0.633 0.017) 1.290 21.771 ( 0.774 0.062 -0.587) 0.973 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -3.991 14.494 -2.666) 15.268 1.661 ( -0.627 13.802 -1.493) 13.897 1.830 ( -7.731 1.223 -5.392) 9.505 2.223 ( 4.903 -0.530 -3.648) 6.134 2.276 ( -0.684 -7.387 -6.300) 9.733 2.517 ( 8.578 -4.680 -1.442) 9.877 2.761 ( -1.647 12.562 6.797) 14.378 2.905 ( 4.932 5.169 0.931) 7.205 3.050 ( -3.663 6.471 -3.434) 8.191 3.261 ( 11.833 -2.553 -2.483) 12.357 3.303 ( 3.736 -0.928 -3.761) 5.382 3.629 ( -4.157 -13.153 3.032) 14.124 3.939 ( -3.471 0.365 7.032) 7.850 3.952 ( -4.505 -0.959 5.759) 7.374 4.285 ( 5.074 2.643 4.334) 7.177 4.391 ( -0.002 -4.179 -3.142) 5.228 4.752 ( -2.453 3.450 1.740) 4.576 4.898 ( -5.040 -2.060 3.783) 6.630 5.325 ( 6.194 -0.064 -1.713) 6.426 5.485 ( 4.737 -7.162 -2.127) 8.846 6.118 ( -0.389 -0.645 -1.094) 1.328 6.163 ( 0.134 -2.106 2.241) 3.078 6.523 ( 0.305 2.993 -2.075) 3.655 6.669 ( -1.530 -2.669 -0.996) 3.233 6.744 ( -3.573 7.781 0.038) 8.562 7.062 ( -0.584 -7.102 -0.523) 7.145 7.322 ( 3.977 -0.435 -0.500) 4.032 7.390 ( 4.329 -2.842 1.349) 5.351 7.693 ( -2.189 6.889 2.313) 7.589 7.945 ( -5.010 -2.221 1.393) 5.654 8.141 ( -1.252 5.369 0.275) 5.520 8.260 ( 1.998 -2.031 -1.212) 3.096 8.512 ( -1.033 1.343 -5.851) 6.091 8.719 ( 3.128 -0.160 0.543) 3.178 8.965 ( 1.614 6.070 -2.597) 6.797 9.078 ( 2.031 2.770 -1.755) 3.857 9.915 ( -5.545 3.560 -3.259) 7.351 10.092 ( -5.949 -2.680 -2.213) 6.890 10.142 ( -3.273 0.115 6.972) 7.703 10.405 ( -9.628 -8.230 0.746) 12.688 11.608 ( 3.028 -0.346 -1.107) 3.242 11.742 ( -1.519 -5.207 -4.394) 6.981 12.010 ( 8.972 -1.612 3.529) 9.775 12.124 ( 7.084 -5.488 3.221) 9.523 13.257 ( -0.853 8.227 -1.989) 8.507 13.417 ( 0.423 2.493 -3.091) 3.993 13.595 ( -0.613 0.843 4.143) 4.272 13.817 ( -0.699 -9.426 2.675) 9.823 14.961 ( -2.964 3.074 -3.993) 5.846 15.236 ( -0.168 -8.458 -5.764) 10.237 15.803 ( -0.726 0.554 0.255) 0.948 15.850 ( -2.046 -1.219 -0.269) 2.397 16.388 ( -4.507 15.041 6.509) 16.997 16.708 ( -3.897 1.190 3.948) 5.673 17.219 ( 2.060 -2.294 -8.588) 9.125 17.286 ( 8.530 -3.062 6.293) 11.034 17.960 ( 1.996 15.763 1.942) 16.007 18.686 ( 2.030 -17.094 -7.538) 18.792 21.777 ( 0.749 0.446 1.813) 2.012 21.782 ( 0.191 0.492 1.234) 1.342 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.837 -5.095 -1.760) 5.455 1.656 ( -0.837 5.095 -1.760) 5.455 1.992 ( 3.368 -12.950 -5.260) 14.378 1.992 ( 3.368 12.950 -5.260) 14.378 2.377 ( 3.991 -9.031 -6.509) 11.826 2.377 ( 3.991 9.031 -6.509) 11.826 2.888 ( -2.810 -6.326 -3.263) 7.653 2.888 ( -2.810 6.326 -3.263) 7.653 3.183 ( -3.671 -4.120 -6.714) 8.691 3.183 ( -3.671 4.120 -6.714) 8.691 3.449 ( 4.112 -6.871 6.748) 10.472 3.449 ( 4.112 6.871 6.748) 10.472 3.939 ( -4.627 -4.818 7.778) 10.253 3.939 ( -4.627 4.818 7.778) 10.253 4.404 ( 3.283 -4.537 5.902) 8.136 4.404 ( 3.283 4.537 5.902) 8.136 4.840 ( -2.800 -1.764 2.135) 3.939 4.840 ( -2.800 1.764 2.135) 3.939 5.379 ( 1.478 -2.941 -1.919) 3.810 5.379 ( 1.478 2.941 -1.919) 3.810 6.124 ( -0.556 -2.457 0.409) 2.552 6.124 ( -0.556 2.457 0.409) 2.552 6.585 ( 0.205 -3.080 -2.077) 3.720 6.585 ( 0.205 3.080 -2.077) 3.720 6.872 ( -1.193 -8.609 -1.970) 8.912 6.872 ( -1.193 8.609 -1.970) 8.912 7.387 ( 0.592 -2.658 0.837) 2.849 7.387 ( 0.592 2.658 0.837) 2.849 7.821 ( -1.325 -4.878 1.869) 5.389 7.821 ( -1.325 4.878 1.869) 5.389 8.208 ( 0.897 -3.189 -0.027) 3.313 8.208 ( 0.897 3.189 -0.027) 3.313 8.537 ( 0.615 -8.735 -9.943) 13.249 8.537 ( 0.615 8.735 -9.943) 13.249 9.108 ( -0.923 -2.506 0.997) 2.850 9.108 ( -0.923 2.506 0.997) 2.850 9.933 ( 1.693 -4.644 0.510) 4.969 9.933 ( 1.693 4.644 0.510) 4.969 10.241 ( 0.426 -1.884 3.772) 4.238 10.241 ( 0.426 1.884 3.772) 4.238 11.603 ( -1.329 -2.770 -4.462) 5.417 11.603 ( -1.329 2.770 -4.462) 5.417 12.132 ( -0.166 -1.403 4.323) 4.548 12.132 ( -0.166 1.403 4.323) 4.548 13.367 ( 2.671 -2.070 -5.522) 6.474 13.367 ( 2.671 2.070 -5.522) 6.474 13.699 ( -2.864 -2.426 7.306) 8.213 13.699 ( -2.864 2.426 7.306) 8.213 14.993 ( 0.960 -7.331 -7.779) 10.732 14.993 ( 0.960 7.331 -7.779) 10.732 15.834 ( 1.322 -0.639 2.296) 2.725 15.834 ( 1.322 0.639 2.296) 2.725 16.549 ( -7.114 -7.539 -2.100) 10.576 16.549 ( -7.114 7.539 -2.100) 10.576 17.336 ( 3.909 -8.002 5.966) 10.720 17.336 ( 3.909 8.002 5.966) 10.720 18.307 ( 1.573 -17.437 -4.386) 18.049 18.307 ( 1.573 17.437 -4.386) 18.049 21.811 ( 0.029 -0.284 2.677) 2.692 21.811 ( 0.029 0.284 2.677) 2.692 ======================= Grid point 145 (76/170) ======================= q-point: ( 0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 4.568 -5.136 -4.310) 8.113 1.657 ( 4.568 5.136 -4.310) 8.113 1.989 ( 3.575 -8.411 -4.929) 10.384 1.989 ( 3.575 8.411 -4.929) 10.384 2.391 ( 4.702 -6.160 -3.667) 8.573 2.391 ( 4.702 6.160 -3.667) 8.573 2.771 ( -5.493 -5.256 -3.552) 8.391 2.771 ( -5.493 5.256 -3.552) 8.391 3.045 ( -5.803 -9.303 -5.313) 12.184 3.045 ( -5.803 9.303 -5.313) 12.184 3.518 ( -2.042 -1.955 5.915) 6.556 3.518 ( -2.042 1.955 5.915) 6.556 4.017 ( 1.980 -6.999 7.893) 10.733 4.017 ( 1.980 6.999 7.893) 10.733 4.500 ( -0.805 -5.043 3.708) 6.311 4.500 ( -0.805 5.043 3.708) 6.311 4.804 ( -3.086 -2.994 1.853) 4.682 4.804 ( -3.086 2.994 1.853) 4.682 5.382 ( 0.825 -3.104 -0.532) 3.255 5.382 ( 0.825 3.104 -0.532) 3.255 6.109 ( -2.335 -3.941 0.722) 4.637 6.109 ( -2.335 3.941 0.722) 4.637 6.565 ( -0.019 -2.238 -1.345) 2.611 6.565 ( -0.019 2.238 -1.345) 2.611 6.824 ( -1.020 -6.391 -3.322) 7.275 6.824 ( -1.020 6.391 -3.322) 7.275 7.374 ( -2.981 -3.335 0.641) 4.518 7.374 ( -2.981 3.335 0.641) 4.518 7.849 ( 2.303 -3.009 2.047) 4.307 7.849 ( 2.303 3.009 2.047) 4.307 8.233 ( 1.205 -2.868 0.086) 3.112 8.233 ( 1.205 2.868 0.086) 3.112 8.468 ( 4.594 -8.470 -8.718) 12.994 8.468 ( 4.594 8.470 -8.718) 12.994 9.081 ( -2.463 -4.023 0.439) 4.737 9.081 ( -2.463 4.023 0.439) 4.737 10.009 ( 5.827 -3.130 0.292) 6.621 10.009 ( 5.827 3.130 0.292) 6.621 10.337 ( 6.097 -2.259 3.043) 7.179 10.337 ( 6.097 2.259 3.043) 7.179 11.523 ( -2.041 -1.769 -4.265) 5.048 11.523 ( -2.041 1.769 -4.265) 5.048 12.108 ( -8.130 -2.305 3.870) 9.295 12.108 ( -8.130 2.305 3.870) 9.295 13.364 ( 3.974 -2.713 -5.526) 7.328 13.364 ( 3.974 2.713 -5.526) 7.328 13.720 ( -4.754 -2.411 8.057) 9.661 13.720 ( -4.754 2.411 8.057) 9.661 14.933 ( 2.953 -6.352 -9.079) 11.468 14.933 ( 2.953 6.352 -9.079) 11.468 15.916 ( 4.907 -0.910 3.352) 6.012 15.916 ( 4.907 0.910 3.352) 6.012 16.406 ( -6.313 -6.030 -3.003) 9.233 16.406 ( -6.313 6.030 -3.003) 9.233 17.435 ( -0.542 -8.230 6.886) 10.744 17.435 ( -0.542 8.230 6.886) 10.744 18.274 ( 0.717 -19.032 -5.259) 19.758 18.274 ( 0.717 19.032 -5.259) 19.758 21.840 ( -0.490 -0.607 3.039) 3.138 21.840 ( -0.490 0.607 3.039) 3.138 ======================= Grid point 147 (77/170) ======================= q-point: ( 0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 4.956 -2.228 -3.708) 6.578 1.688 ( 4.956 2.228 -3.708) 6.578 2.040 ( 7.633 -4.645 -2.617) 9.310 2.040 ( 7.633 4.645 -2.617) 9.310 2.392 ( 0.365 -4.417 -6.157) 7.587 2.392 ( 0.365 4.417 -6.157) 7.587 2.657 ( -5.921 -2.373 0.886) 6.440 2.657 ( -5.921 2.373 0.886) 6.440 2.937 ( -1.306 -11.193 -1.876) 11.424 2.937 ( -1.306 11.193 -1.876) 11.424 3.556 ( -0.355 -3.024 4.106) 5.111 3.556 ( -0.355 3.024 4.106) 5.111 4.101 ( -2.242 -3.054 5.563) 6.730 4.101 ( -2.242 3.054 5.563) 6.730 4.449 ( -4.694 -1.268 -0.065) 4.863 4.449 ( -4.694 1.268 -0.065) 4.863 4.771 ( -3.701 -5.022 -0.885) 6.301 4.771 ( -3.701 5.022 -0.885) 6.301 5.387 ( -2.214 -6.434 1.812) 7.041 5.387 ( -2.214 6.434 1.812) 7.041 6.071 ( -3.184 -4.449 1.525) 5.679 6.071 ( -3.184 4.449 1.525) 5.679 6.564 ( 0.512 -4.639 -0.225) 4.673 6.564 ( 0.512 4.639 -0.225) 4.673 6.782 ( 0.686 -1.124 -2.440) 2.773 6.782 ( 0.686 1.124 -2.440) 2.773 7.316 ( -4.204 -3.751 -0.167) 5.637 7.316 ( -4.204 3.751 -0.167) 5.637 7.937 ( 3.866 -0.905 4.442) 5.958 7.937 ( 3.866 0.905 4.442) 5.958 8.228 ( 0.887 -6.235 -3.590) 7.249 8.228 ( 0.887 6.235 -3.590) 7.249 8.501 ( 6.883 -6.956 -3.364) 10.347 8.501 ( 6.883 6.956 -3.364) 10.347 9.050 ( -2.361 -2.005 0.465) 3.132 9.050 ( -2.361 2.005 0.465) 3.132 10.116 ( 7.818 -4.836 -0.349) 9.200 10.116 ( 7.818 4.836 -0.349) 9.200 10.468 ( 8.067 -1.981 -1.257) 8.402 10.468 ( 8.067 1.981 -1.257) 8.402 11.465 ( -2.157 -1.910 0.416) 2.911 11.465 ( -2.157 1.910 0.416) 2.911 11.978 ( -10.534 -4.527 1.432) 11.554 11.978 ( -10.534 4.527 1.432) 11.554 13.359 ( 2.283 -6.433 -5.045) 8.488 13.359 ( 2.283 6.433 -5.045) 8.488 13.723 ( -5.162 -4.853 7.090) 10.023 13.723 ( -5.162 4.853 7.090) 10.023 14.896 ( 4.245 -3.973 -7.708) 9.655 14.896 ( 4.245 3.973 -7.708) 9.655 16.034 ( 4.464 -5.724 0.682) 7.291 16.034 ( 4.464 5.724 0.682) 7.291 16.322 ( -1.028 -2.112 2.069) 3.131 16.322 ( -1.028 2.112 2.069) 3.131 17.470 ( -2.292 -5.988 4.197) 7.663 17.470 ( -2.292 5.988 4.197) 7.663 18.206 ( -2.286 -17.555 -5.300) 18.480 18.206 ( -2.286 17.555 -5.300) 18.480 21.858 ( -1.027 -0.762 2.487) 2.796 21.858 ( -1.027 0.762 2.487) 2.796 ======================= Grid point 149 (78/170) ======================= q-point: ( 0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 6.017 -5.086 -0.644) 7.905 1.752 ( 6.017 5.086 -0.644) 7.905 2.108 ( 4.254 -2.657 -5.135) 7.178 2.108 ( 4.254 2.657 -5.135) 7.178 2.328 ( 0.434 -1.527 -2.152) 2.674 2.328 ( 0.434 1.527 -2.152) 2.674 2.615 ( -2.667 -0.617 3.433) 4.391 2.615 ( -2.667 0.617 3.433) 4.391 2.936 ( 0.969 -8.151 -0.245) 8.212 2.936 ( 0.969 8.151 -0.245) 8.212 3.549 ( -3.584 -6.428 -2.310) 7.714 3.549 ( -3.584 6.428 -2.310) 7.714 4.064 ( -5.376 -5.385 2.619) 8.048 4.064 ( -5.376 5.385 2.619) 8.048 4.433 ( -0.342 -7.943 3.448) 8.665 4.433 ( -0.342 7.943 3.448) 8.665 4.664 ( -4.611 -4.172 -3.497) 7.134 4.664 ( -4.611 4.172 -3.497) 7.134 5.312 ( -8.979 -9.155 0.808) 12.849 5.312 ( -8.979 9.155 0.808) 12.849 6.069 ( 0.090 -4.380 2.937) 5.274 6.069 ( 0.090 4.380 2.937) 5.274 6.544 ( -2.348 -4.190 -1.310) 4.979 6.544 ( -2.348 4.190 -1.310) 4.979 6.820 ( 4.309 -6.589 1.526) 8.019 6.820 ( 4.309 6.589 1.526) 8.019 7.241 ( -3.748 -3.769 -1.873) 5.636 7.241 ( -3.748 3.769 -1.873) 5.636 8.029 ( -0.053 -1.594 3.763) 4.088 8.029 ( -0.053 1.594 3.763) 4.088 8.225 ( 3.711 -5.549 -1.237) 6.789 8.225 ( 3.711 5.549 -1.237) 6.789 8.590 ( 6.530 -9.865 -0.522) 11.842 8.590 ( 6.530 9.865 -0.522) 11.842 8.999 ( -3.524 -1.265 -1.605) 4.074 8.999 ( -3.524 1.265 -1.605) 4.074 10.248 ( 8.518 -6.231 -0.622) 10.572 10.248 ( 8.518 6.231 -0.622) 10.572 10.557 ( 6.787 -3.885 -3.794) 8.692 10.557 ( 6.787 3.885 -3.794) 8.692 11.450 ( -4.774 -6.640 5.237) 9.711 11.450 ( -4.774 6.640 5.237) 9.711 11.850 ( -4.034 -5.654 -0.919) 7.006 11.850 ( -4.034 5.654 -0.919) 7.006 13.324 ( -0.602 -7.404 -3.677) 8.289 13.324 ( -0.602 7.404 -3.677) 8.289 13.705 ( -4.715 -3.235 4.170) 7.077 13.705 ( -4.715 3.235 4.170) 7.077 14.912 ( 5.525 -2.457 -3.592) 7.034 14.912 ( 5.525 2.457 -3.592) 7.034 16.019 ( -3.338 -9.406 -2.376) 10.260 16.019 ( -3.338 9.406 -2.376) 10.260 16.463 ( 9.998 -1.231 6.903) 12.212 16.463 ( 9.998 1.231 6.903) 12.212 17.465 ( -1.340 -5.710 0.731) 5.910 17.465 ( -1.340 5.710 0.731) 5.910 18.080 ( -6.520 -14.339 -4.747) 16.451 18.080 ( -6.520 14.339 -4.747) 16.451 21.859 ( -1.363 -0.613 1.192) 1.912 21.859 ( -1.363 0.613 1.192) 1.912 ======================= Grid point 151 (79/170) ======================= q-point: ( 0.36 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 5.613 -5.541 -1.703) 8.069 1.845 ( 5.613 5.541 -1.703) 8.069 2.119 ( 4.058 -3.473 -2.229) 5.788 2.119 ( 4.058 3.473 -2.229) 5.788 2.334 ( 0.631 -2.340 0.035) 2.424 2.334 ( 0.631 2.340 0.035) 2.424 2.627 ( -1.663 -2.105 2.979) 4.009 2.627 ( -1.663 2.105 2.979) 4.009 2.944 ( 0.754 -3.289 0.107) 3.376 2.944 ( 0.754 3.289 0.107) 3.376 3.396 ( -8.241 -7.221 -3.945) 11.646 3.396 ( -8.241 7.221 -3.945) 11.646 4.040 ( -1.212 -5.288 1.640) 5.667 4.040 ( -1.212 5.288 1.640) 5.667 4.418 ( -1.707 -7.028 -4.292) 8.410 4.418 ( -1.707 7.028 -4.292) 8.410 4.637 ( 0.889 -3.490 4.055) 5.424 4.637 ( 0.889 3.490 4.055) 5.424 5.150 ( -10.554 -9.178 0.621) 14.000 5.150 ( -10.554 9.178 0.621) 14.000 6.115 ( 1.037 -5.430 2.224) 5.958 6.115 ( 1.037 5.430 2.224) 5.958 6.483 ( -3.167 -2.275 -0.155) 3.902 6.483 ( -3.167 2.275 -0.155) 3.902 6.917 ( 4.147 -8.406 2.129) 9.612 6.917 ( 4.147 8.406 2.129) 9.612 7.158 ( -2.748 -3.424 -3.293) 5.488 7.158 ( -2.748 3.424 -3.293) 5.488 8.024 ( -1.583 -1.066 0.552) 1.986 8.024 ( -1.583 1.066 0.552) 1.986 8.295 ( 1.328 -1.160 3.097) 3.563 8.295 ( 1.328 1.160 3.097) 3.563 8.697 ( 7.030 -8.332 -1.194) 10.966 8.697 ( 7.030 8.332 -1.194) 10.966 8.911 ( -3.744 -1.752 -1.897) 4.548 8.911 ( -3.744 1.752 -1.897) 4.548 10.353 ( 5.839 -5.360 -1.327) 8.036 10.353 ( 5.839 5.360 -1.327) 8.036 10.620 ( 4.565 -7.650 -1.193) 8.988 10.620 ( 4.565 7.650 -1.193) 8.988 11.398 ( -7.036 -7.741 3.179) 10.933 11.398 ( -7.036 7.741 3.179) 10.933 11.847 ( 3.218 -3.407 -0.063) 4.687 11.847 ( 3.218 3.407 -0.063) 4.687 13.270 ( -1.894 -8.337 -2.019) 8.785 13.270 ( -1.894 8.337 -2.019) 8.785 13.671 ( -3.355 -0.154 2.140) 3.982 13.671 ( -3.355 0.154 2.140) 3.982 14.989 ( 5.309 -2.890 0.801) 6.097 14.989 ( 5.309 2.890 0.801) 6.097 15.931 ( -4.292 -9.098 -1.189) 10.129 15.931 ( -4.292 9.098 -1.189) 10.129 16.718 ( 11.383 -3.691 6.052) 13.410 16.718 ( 11.383 3.691 6.052) 13.410 17.451 ( 0.157 -6.298 -1.750) 6.539 17.451 ( 0.157 6.298 -1.750) 6.539 17.906 ( -8.522 -13.315 -3.759) 16.249 17.906 ( -8.522 13.315 -3.759) 16.249 21.841 ( -1.252 -0.289 -0.521) 1.386 21.841 ( -1.252 0.289 -0.521) 1.386 ======================= Grid point 153 (80/170) ======================= q-point: ( 0.45 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 2.760 -2.483 -5.930) 6.996 1.867 ( 2.760 2.483 -5.930) 6.996 2.135 ( -0.567 -3.678 -3.678) 5.232 2.135 ( -0.567 3.678 -3.678) 5.232 2.377 ( 0.617 -2.195 4.522) 5.064 2.377 ( 0.617 2.195 4.522) 5.064 2.608 ( 0.239 -4.395 -0.720) 4.460 2.608 ( 0.239 4.395 -0.720) 4.460 2.961 ( -0.068 -2.209 0.110) 2.212 2.961 ( -0.068 2.209 0.110) 2.212 3.323 ( 0.163 -4.529 6.795) 8.168 3.323 ( 0.163 4.529 6.795) 8.168 4.029 ( -1.036 -8.392 -0.893) 8.503 4.029 ( -1.036 8.392 -0.893) 8.503 4.335 ( 0.253 -6.297 -7.967) 10.158 4.335 ( 0.253 6.297 -7.967) 10.158 4.692 ( -0.429 -5.019 2.810) 5.769 4.692 ( -0.429 5.019 2.810) 5.769 5.032 ( -5.314 -9.240 2.799) 11.021 5.032 ( -5.314 9.240 2.799) 11.021 6.117 ( -1.351 -5.147 -1.814) 5.622 6.117 ( -1.351 5.147 -1.814) 5.622 6.472 ( -0.433 -2.157 4.113) 4.664 6.472 ( -0.433 2.157 4.113) 4.664 6.967 ( -0.235 -8.489 -0.120) 8.493 6.967 ( -0.235 8.489 -0.120) 8.493 7.109 ( 1.372 -2.513 -2.118) 3.562 7.109 ( 1.372 2.513 -2.118) 3.562 8.018 ( -0.590 -1.194 1.627) 2.103 8.018 ( -0.590 1.194 1.627) 2.103 8.308 ( -1.672 -3.890 0.577) 4.273 8.308 ( -1.672 3.890 0.577) 4.273 8.700 ( -0.051 -11.389 -8.757) 14.367 8.700 ( -0.051 11.389 -8.757) 14.367 8.923 ( 2.473 -7.816 5.488) 9.865 8.923 ( 2.473 7.816 5.488) 9.865 10.420 ( 3.277 -4.746 0.163) 5.770 10.420 ( 3.277 4.746 0.163) 5.770 10.678 ( 2.440 -7.232 2.045) 7.901 10.678 ( 2.440 7.232 2.045) 7.901 11.309 ( -4.991 -7.236 -1.715) 8.956 11.309 ( -4.991 7.236 -1.715) 8.956 11.900 ( 1.852 -1.874 0.618) 2.707 11.900 ( 1.852 1.874 0.618) 2.707 13.235 ( -0.082 -9.057 -0.813) 9.094 13.235 ( -0.082 9.057 -0.813) 9.094 13.652 ( -1.927 -2.239 2.127) 3.641 13.652 ( -1.927 2.239 2.127) 3.641 15.078 ( 2.366 -1.490 3.301) 4.326 15.078 ( 2.366 1.490 3.301) 4.326 15.877 ( -1.522 -7.076 0.745) 7.276 15.877 ( -1.522 7.076 0.745) 7.276 16.909 ( 3.788 -5.808 4.035) 8.023 16.909 ( 3.788 5.808 4.035) 8.023 17.411 ( -1.600 -5.232 -4.540) 7.110 17.411 ( -1.600 5.233 -4.540) 7.110 17.784 ( -1.045 -17.485 -1.076) 17.549 17.784 ( -1.045 17.485 -1.076) 17.549 21.811 ( -0.584 -0.245 -2.132) 2.224 21.811 ( -0.584 0.245 -2.132) 2.224 ======================= Grid point 155 (81/170) ======================= q-point: (-0.45 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 3.490 -1.302 -5.317) 6.492 1.844 ( 3.490 1.302 -5.317) 6.492 2.042 ( -3.668 -5.345 -4.387) 7.827 2.042 ( -3.668 5.345 -4.387) 7.827 2.372 ( -1.183 -2.522 -3.192) 4.236 2.372 ( -1.183 2.522 -3.192) 4.236 2.660 ( 0.252 -2.415 5.187) 5.727 2.660 ( 0.252 2.415 5.187) 5.727 2.965 ( 1.293 -1.327 0.963) 2.088 2.965 ( 1.293 1.327 0.963) 2.088 3.508 ( 5.749 -2.239 12.330) 13.788 3.508 ( 5.749 2.239 12.330) 13.788 3.980 ( -2.283 -7.122 -3.132) 8.109 3.980 ( -2.283 7.122 -3.132) 8.109 4.271 ( 2.880 -6.749 -6.752) 9.971 4.271 ( 2.880 6.749 -6.752) 9.971 4.674 ( -2.228 -5.139 -0.817) 5.661 4.674 ( -2.228 5.139 -0.817) 5.661 5.048 ( 2.761 -9.158 2.711) 9.942 5.048 ( 2.761 9.158 2.711) 9.942 6.053 ( -2.010 -3.615 -3.469) 5.398 6.053 ( -2.010 3.615 -3.469) 5.398 6.544 ( 1.505 -4.432 6.564) 8.062 6.544 ( 1.505 4.432 6.564) 8.062 6.922 ( -3.261 -7.089 -1.140) 7.885 6.922 ( -3.261 7.089 -1.140) 7.885 7.138 ( 3.530 -2.226 -1.807) 4.547 7.138 ( 3.530 2.226 -1.807) 4.547 8.024 ( -1.502 -0.945 1.394) 2.257 8.024 ( -1.502 0.945 1.394) 2.257 8.289 ( -0.070 -7.913 0.124) 7.914 8.289 ( -0.070 7.913 0.124) 7.914 8.589 ( -1.256 -12.393 -7.751) 14.671 8.589 ( -1.256 12.393 -7.751) 14.671 9.020 ( 1.823 -6.603 4.342) 8.110 9.020 ( 1.823 6.603 4.342) 8.110 10.438 ( -1.916 -5.349 0.056) 5.682 10.438 ( -1.916 5.349 0.056) 5.682 10.765 ( 2.372 -3.087 6.386) 7.479 10.765 ( 2.372 3.087 6.386) 7.479 11.208 ( -1.618 -7.774 -5.809) 9.838 11.208 ( -1.618 7.774 -5.809) 9.838 11.906 ( -1.926 -1.704 0.719) 2.670 11.906 ( -1.926 1.704 0.719) 2.670 13.256 ( 3.525 -6.529 -0.529) 7.438 13.256 ( 3.525 6.529 -0.529) 7.438 13.650 ( -1.796 -2.516 2.533) 3.996 13.650 ( -1.796 2.516 2.533) 3.996 15.128 ( -1.048 -2.035 4.223) 4.804 15.128 ( -1.048 2.035 4.223) 4.804 15.901 ( 2.010 -5.011 2.106) 5.795 15.901 ( 2.010 5.011 2.106) 5.795 16.884 ( -11.393 -5.254 3.208) 12.950 16.884 ( -11.393 5.254 3.208) 12.950 17.331 ( 0.770 -2.732 -6.635) 7.216 17.331 ( 0.770 2.732 -6.635) 7.216 17.860 ( 9.071 -19.404 0.733) 21.432 17.860 ( 9.071 19.404 0.733) 21.432 21.780 ( 0.406 -0.386 -3.062) 3.113 21.780 ( 0.406 0.386 -3.062) 3.113 ======================= Grid point 157 (82/170) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.547 -1.535 1.853) 2.468 1.867 ( -0.547 1.535 1.853) 2.468 1.999 ( 8.644 -2.878 -6.230) 11.037 1.999 ( 8.644 2.878 -6.230) 11.037 2.297 ( -3.052 -2.914 -4.119) 5.897 2.297 ( -3.052 2.914 -4.119) 5.897 2.689 ( -2.065 -3.411 4.265) 5.839 2.689 ( -2.065 3.411 4.265) 5.839 3.011 ( 1.189 -1.986 1.658) 2.847 3.011 ( 1.189 1.986 1.658) 2.847 3.640 ( -3.853 -2.676 5.571) 7.283 3.640 ( -3.853 2.676 5.571) 7.283 3.936 ( 1.465 -5.321 -1.140) 5.635 3.936 ( 1.465 5.321 -1.140) 5.635 4.291 ( 4.652 -4.003 -3.011) 6.836 4.291 ( 4.652 4.003 -3.011) 6.836 4.649 ( 2.966 -7.340 -2.521) 8.309 4.649 ( 2.966 7.340 -2.521) 8.309 5.144 ( 6.070 -7.807 0.472) 9.900 5.144 ( 6.070 7.807 0.472) 9.900 6.006 ( -0.076 -2.511 -1.096) 2.741 6.006 ( -0.076 2.511 -1.096) 2.741 6.642 ( 0.550 -6.420 7.139) 9.617 6.642 ( 0.550 6.420 7.139) 9.617 6.863 ( -2.308 -5.016 -0.209) 5.526 6.863 ( -2.308 5.016 -0.209) 5.526 7.164 ( 3.254 -1.910 -3.463) 5.121 7.164 ( 3.254 1.910 -3.463) 5.121 7.992 ( -3.304 -2.142 0.409) 3.959 7.992 ( -3.304 2.142 0.409) 3.959 8.305 ( 0.648 -7.441 0.093) 7.469 8.305 ( 0.648 7.441 0.093) 7.469 8.522 ( 1.640 -7.144 -3.742) 8.230 8.522 ( 1.640 7.144 -3.742) 8.230 9.065 ( -0.466 -4.857 2.038) 5.288 9.065 ( -0.466 4.857 2.038) 5.288 10.362 ( -6.656 -5.026 -0.634) 8.364 10.362 ( -6.656 5.026 -0.634) 8.364 10.812 ( -6.319 -6.201 3.737) 9.610 10.812 ( -6.319 6.201 3.737) 9.610 11.203 ( 8.712 -5.606 -2.250) 10.602 11.203 ( 8.712 5.606 -2.250) 10.602 11.870 ( -2.752 -5.226 0.469) 5.925 11.870 ( -2.752 5.226 0.469) 5.925 13.325 ( 5.903 -2.599 -1.481) 6.618 13.325 ( 5.903 2.599 -1.481) 6.618 13.641 ( -2.947 -0.951 2.781) 4.162 13.641 ( -2.947 0.951 2.781) 4.162 15.149 ( -2.036 -3.403 4.574) 6.054 15.149 ( -2.036 3.403 4.574) 6.054 15.961 ( 2.471 -4.220 0.791) 4.954 15.961 ( 2.471 4.220 0.791) 4.954 16.688 ( -15.837 -6.432 5.100) 17.838 16.688 ( -15.837 6.432 5.100) 17.838 17.287 ( 2.214 -2.555 -6.943) 7.722 17.287 ( 2.214 2.555 -6.943) 7.722 18.036 ( 11.078 -20.663 0.006) 23.445 18.036 ( 11.078 20.663 0.006) 23.445 21.760 ( 1.214 -0.591 -2.961) 3.254 21.760 ( 1.214 0.591 -2.961) 3.254 ======================= Grid point 159 (83/170) ======================= q-point: (-0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -1.925 -5.108 2.121) 5.856 1.864 ( -1.925 5.108 2.121) 5.856 2.120 ( 6.961 -5.613 -6.213) 10.888 2.120 ( 6.961 5.613 -6.213) 10.888 2.221 ( 1.054 -3.610 0.323) 3.775 2.221 ( 1.054 3.610 0.323) 3.775 2.718 ( 1.519 -3.009 2.928) 4.464 2.718 ( 1.519 3.009 2.928) 4.464 3.021 ( 0.088 -1.996 -0.241) 2.012 3.021 ( 0.088 1.996 -0.241) 2.012 3.578 ( -7.244 -2.252 3.469) 8.341 3.578 ( -7.244 2.252 3.469) 8.341 3.961 ( 0.668 -2.813 0.046) 2.892 3.961 ( 0.668 2.813 0.046) 2.892 4.304 ( 3.863 -6.586 -6.437) 9.987 4.304 ( 3.863 6.586 -6.437) 9.987 4.725 ( 5.930 -7.329 0.720) 9.455 4.725 ( 5.930 7.329 0.720) 9.455 5.235 ( 5.587 -5.809 -0.949) 8.115 5.235 ( 5.587 5.809 -0.949) 8.115 6.033 ( 2.209 -1.781 2.253) 3.624 6.033 ( 2.209 1.781 2.253) 3.624 6.676 ( -3.992 -2.119 3.756) 5.876 6.676 ( -3.992 2.119 3.756) 5.876 6.875 ( 1.521 -2.114 2.808) 3.830 6.875 ( 1.521 2.114 2.808) 3.830 7.181 ( 4.856 -2.799 -4.099) 6.944 7.181 ( 4.856 2.799 -4.099) 6.944 7.940 ( -3.985 -4.171 1.013) 5.857 7.940 ( -3.985 4.171 1.013) 5.857 8.293 ( -0.968 -1.903 -1.064) 2.385 8.293 ( -0.968 1.903 -1.064) 2.385 8.555 ( 3.766 -1.535 -0.233) 4.074 8.555 ( 3.766 1.535 -0.233) 4.074 9.058 ( -1.494 -3.684 0.258) 3.984 9.058 ( -1.494 3.684 0.258) 3.984 10.229 ( -8.265 -3.184 -0.793) 8.892 10.229 ( -8.265 3.184 -0.793) 8.892 10.662 ( -11.999 -10.181 -1.552) 15.812 10.662 ( -11.999 10.181 -1.552) 15.812 11.396 ( 11.654 -5.569 3.815) 13.467 11.396 ( 11.654 5.569 3.815) 13.467 11.845 ( 0.485 -5.385 -0.859) 5.474 11.845 ( 0.485 5.385 -0.859) 5.474 13.399 ( 6.207 -2.450 -3.484) 7.528 13.399 ( 6.207 2.450 -3.484) 7.528 13.618 ( -4.188 -2.062 3.852) 6.052 13.618 ( -4.188 2.062 3.852) 6.052 15.160 ( -2.128 -4.459 3.236) 5.906 15.160 ( -2.128 4.459 3.236) 5.906 15.962 ( -1.658 -2.988 -2.650) 4.325 15.962 ( -1.658 2.988 -2.650) 4.325 16.563 ( -8.829 -8.297 10.529) 16.052 16.563 ( -8.829 8.297 10.529) 16.052 17.239 ( 1.675 -5.757 -7.761) 9.807 17.239 ( 1.675 5.757 -7.761) 9.807 18.193 ( 8.911 -21.947 -1.287) 23.722 18.193 ( 8.911 21.947 -1.287) 23.722 21.755 ( 1.441 -0.727 -1.888) 2.483 21.755 ( 1.441 0.727 -1.888) 2.483 ======================= Grid point 161 (84/170) ======================= q-point: (-0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -5.265 -3.795 -1.237) 6.607 1.813 ( -5.265 3.795 -1.237) 6.607 2.089 ( -0.513 -9.449 -3.217) 9.995 2.089 ( -0.513 9.449 -3.217) 9.995 2.303 ( 5.984 -2.826 -2.007) 6.915 2.303 ( 5.984 2.826 -2.007) 6.915 2.807 ( 5.430 -2.734 1.657) 6.301 2.807 ( 5.430 2.734 1.657) 6.301 3.067 ( 5.638 -9.718 2.392) 11.487 3.067 ( 5.638 9.718 2.392) 11.487 3.493 ( -6.375 -5.231 -0.315) 8.253 3.493 ( -6.375 5.231 -0.315) 8.253 3.953 ( -2.873 -3.519 3.083) 5.490 3.953 ( -2.873 3.519 3.083) 5.490 4.307 ( 4.211 -8.237 -4.820) 10.431 4.307 ( 4.211 8.237 -4.820) 10.431 4.802 ( 1.483 -2.245 2.084) 3.403 4.802 ( 1.483 2.245 2.084) 3.403 5.310 ( 4.948 -4.891 -1.018) 7.031 5.310 ( 4.948 4.891 -1.018) 7.031 6.097 ( 1.623 -0.880 2.371) 3.005 6.097 ( 1.623 0.880 2.371) 3.005 6.634 ( -2.883 -2.589 0.207) 3.880 6.634 ( -2.883 2.589 0.207) 3.880 6.915 ( -0.450 -5.946 1.709) 6.203 6.915 ( -0.450 5.946 1.709) 6.203 7.248 ( 6.969 -2.313 -1.703) 7.538 7.248 ( 6.969 2.313 -1.703) 7.538 7.888 ( -4.335 -6.532 1.774) 8.038 7.888 ( -4.335 6.532 1.774) 8.038 8.261 ( -2.018 -1.500 -0.516) 2.567 8.261 ( -2.018 1.500 -0.516) 2.567 8.609 ( 3.136 -4.212 -0.637) 5.290 8.609 ( 3.136 4.212 -0.637) 5.290 9.043 ( 0.259 -3.648 -0.228) 3.665 9.043 ( 0.259 3.648 -0.228) 3.665 10.094 ( -7.357 -1.226 -0.764) 7.498 10.094 ( -7.357 1.226 -0.764) 7.498 10.432 ( -12.838 -10.750 -2.049) 16.869 10.432 ( -12.838 10.750 -2.049) 16.869 11.592 ( 5.775 -6.548 3.687) 9.478 11.592 ( 5.775 6.548 3.687) 9.478 11.888 ( 6.960 -3.330 -0.994) 7.779 11.888 ( 6.960 3.330 -0.994) 7.779 13.431 ( 3.525 -4.382 -5.681) 7.994 13.431 ( 3.525 4.382 -5.681) 7.994 13.610 ( -2.731 -5.534 5.916) 8.549 13.610 ( -2.731 5.534 5.916) 8.549 15.138 ( -2.596 -5.881 -0.599) 6.456 15.138 ( -2.596 5.881 -0.599) 6.456 15.878 ( -3.762 -1.753 -2.281) 4.736 15.878 ( -3.762 1.753 -2.281) 4.736 16.611 ( -3.226 -8.958 12.428) 15.656 16.611 ( -3.227 8.958 12.428) 15.656 17.186 ( 3.092 -5.060 -7.612) 9.649 17.186 ( 3.092 5.060 -7.612) 9.649 18.288 ( 5.364 -20.774 -2.410) 21.591 18.288 ( 5.364 20.774 -2.410) 21.591 21.764 ( 1.082 -0.571 -0.248) 1.248 21.764 ( 1.082 0.571 -0.248) 1.248 ======================= Grid point 163 (85/170) ======================= q-point: (-0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -4.771 -4.252 -0.449) 6.406 1.715 ( -4.771 4.252 -0.449) 6.406 2.024 ( -0.407 -12.373 -5.603) 13.588 2.024 ( -0.407 12.373 -5.603) 13.588 2.366 ( 6.271 -8.696 -5.429) 12.017 2.366 ( 6.271 8.696 -5.429) 12.017 2.894 ( 3.118 -6.423 0.689) 7.173 2.894 ( 3.118 6.423 0.689) 7.173 3.243 ( 10.469 -6.426 2.752) 12.588 3.243 ( 10.469 6.426 2.752) 12.588 3.353 ( -7.118 -9.586 -3.642) 12.483 3.353 ( -7.118 9.586 -3.642) 12.483 3.951 ( -5.395 -0.491 7.709) 9.422 3.951 ( -5.395 0.491 7.709) 9.422 4.327 ( 1.789 -1.760 0.480) 2.555 4.327 ( 1.789 1.760 0.480) 2.555 4.835 ( -0.192 -4.129 2.543) 4.853 4.835 ( -0.192 4.129 2.543) 4.853 5.363 ( 3.109 -4.070 -1.442) 5.321 5.363 ( 3.109 4.070 -1.442) 5.321 6.124 ( -0.132 -1.263 0.842) 1.523 6.124 ( -0.132 1.263 0.842) 1.523 6.602 ( -0.156 -3.875 -1.573) 4.185 6.602 ( -0.156 3.875 -1.573) 4.185 6.905 ( -1.187 -7.617 -0.524) 7.727 6.905 ( -1.187 7.617 -0.524) 7.727 7.338 ( 4.569 -1.896 0.198) 4.950 7.338 ( 4.569 1.896 0.198) 4.950 7.843 ( -3.872 -6.784 2.275) 8.136 7.843 ( -3.872 6.784 2.275) 8.136 8.220 ( -1.641 -2.210 -0.851) 2.881 8.220 ( -1.641 2.210 -0.851) 2.881 8.617 ( 1.192 -7.303 -5.467) 9.200 8.617 ( 1.192 7.303 -5.467) 9.200 9.075 ( 2.367 -3.306 1.558) 4.354 9.075 ( 2.367 3.306 1.558) 4.354 9.975 ( -5.765 -3.383 -1.002) 6.759 9.975 ( -5.765 3.383 -1.002) 6.759 10.259 ( -6.662 -6.428 1.073) 9.319 10.259 ( -6.662 6.428 1.073) 9.319 11.646 ( 0.338 -3.695 -1.281) 3.925 11.646 ( 0.338 3.695 -1.281) 3.925 12.029 ( 7.466 -3.140 2.521) 8.483 12.029 ( 7.466 3.140 2.521) 8.483 13.400 ( 1.200 -4.585 -5.678) 7.396 13.400 ( 1.200 4.585 -5.678) 7.396 13.653 ( -1.107 -5.610 6.528) 8.678 13.653 ( -1.107 5.610 6.528) 8.678 15.070 ( -1.690 -6.961 -4.888) 8.672 15.070 ( -1.690 6.961 -4.888) 8.672 15.822 ( -1.605 -1.240 0.315) 2.052 15.822 ( -1.605 1.240 0.315) 2.052 16.646 ( -5.860 -8.101 5.249) 11.293 16.646 ( -5.860 8.101 5.249) 11.293 17.212 ( 6.353 -2.416 -0.810) 6.845 17.212 ( 6.353 2.416 -0.810) 6.845 18.318 ( 2.546 -17.700 -3.337) 18.191 18.318 ( 2.546 17.700 -3.337) 18.191 21.784 ( 0.522 -0.234 1.449) 1.557 21.784 ( 0.522 0.234 1.449) 1.557 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -8.790 0.000 24.949) 26.452 1.168 ( -2.541 0.000 25.861) 25.985 1.690 ( 9.859 0.000 26.330) 28.115 1.817 ( -0.963 0.000 -4.528) 4.629 2.207 ( 3.257 0.000 -11.924) 12.361 2.235 ( 5.673 0.000 -8.882) 10.539 2.644 ( 8.202 0.000 -8.080) 11.514 2.773 ( 1.082 0.000 0.169) 1.095 3.174 ( 4.064 0.000 -0.377) 4.082 3.354 ( -13.323 0.000 -12.051) 17.964 3.411 ( 5.313 0.000 8.809) 10.287 4.011 ( -2.533 0.000 -13.397) 13.634 4.097 ( -19.256 0.000 5.960) 20.157 4.344 ( 3.296 0.000 -3.615) 4.892 4.476 ( 6.299 0.000 4.156) 7.547 4.491 ( -9.156 0.000 3.332) 9.743 4.743 ( 8.611 0.000 5.841) 10.405 4.922 ( -10.048 0.000 0.414) 10.057 5.418 ( -7.089 0.000 3.896) 8.089 5.804 ( 5.950 0.000 7.087) 9.253 5.813 ( 5.298 0.000 -10.870) 12.092 6.057 ( 0.140 0.000 -5.567) 5.568 6.169 ( -8.588 0.000 1.949) 8.806 6.432 ( 7.082 0.000 -9.670) 11.986 7.089 ( 6.578 0.000 3.147) 7.292 7.173 ( -3.502 0.000 -1.299) 3.735 7.545 ( -4.001 0.000 5.510) 6.809 7.591 ( 0.919 0.000 2.839) 2.984 7.712 ( 4.197 0.000 -2.934) 5.121 7.814 ( -1.378 0.000 -7.513) 7.638 8.014 ( 0.834 0.000 9.404) 9.441 8.141 ( -6.824 0.000 7.253) 9.959 8.307 ( -2.363 0.000 -7.051) 7.436 8.536 ( -1.032 0.000 6.953) 7.029 8.654 ( 8.509 0.000 -12.153) 14.836 8.690 ( 3.307 0.000 -0.658) 3.372 9.785 ( 0.366 0.000 6.390) 6.401 9.904 ( 6.937 0.000 -0.223) 6.940 10.877 ( -4.175 0.000 -1.763) 4.532 10.990 ( -2.845 0.000 -3.976) 4.889 11.716 ( 3.503 0.000 -2.424) 4.260 11.727 ( 0.629 0.000 -5.414) 5.450 12.528 ( -15.950 0.000 0.443) 15.956 12.582 ( 15.182 0.000 -1.816) 15.290 12.776 ( 5.984 0.000 2.645) 6.543 12.781 ( 8.302 0.000 3.224) 8.906 13.790 ( -8.364 0.000 10.409) 13.353 14.187 ( 8.000 0.000 -7.550) 11.000 14.940 ( 0.517 0.000 5.744) 5.768 15.224 ( -1.507 0.000 -7.279) 7.433 15.847 ( -4.691 0.000 7.177) 8.574 15.894 ( 12.428 0.000 0.206) 12.429 15.975 ( -20.663 0.000 -0.374) 20.666 16.421 ( -5.713 0.000 -18.233) 19.107 16.581 ( 10.131 0.000 3.333) 10.665 16.870 ( -5.788 0.000 -8.737) 10.480 18.356 ( 0.954 0.000 18.110) 18.135 18.910 ( 4.839 0.000 -8.339) 9.641 21.822 ( 0.553 0.000 4.963) 4.993 21.881 ( -0.133 0.000 2.432) 2.436 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 1.452 0.000 20.701) 20.751 1.417 ( 0.170 0.000 21.195) 21.196 1.792 ( 6.445 0.000 -8.602) 10.748 1.914 ( 8.293 0.000 -12.662) 15.136 2.228 ( 3.554 0.000 1.367) 3.808 2.241 ( 5.210 0.000 -5.112) 7.299 2.664 ( -6.911 0.000 -14.248) 15.836 2.729 ( 5.642 0.000 1.330) 5.797 3.077 ( -8.129 0.000 -0.157) 8.130 3.272 ( 7.381 0.000 2.885) 7.925 3.634 ( 3.806 0.000 14.215) 14.716 3.735 ( -7.520 0.000 -17.961) 19.472 3.958 ( -8.020 0.000 13.983) 16.120 4.361 ( -11.252 0.000 2.326) 11.490 4.416 ( 8.118 0.000 -1.619) 8.278 4.612 ( 5.467 0.000 1.866) 5.776 4.693 ( -12.018 0.000 -5.257) 13.118 4.947 ( 1.536 0.000 9.321) 9.447 5.327 ( -10.616 0.000 7.236) 12.848 5.737 ( -1.751 0.000 -8.586) 8.763 5.909 ( -1.490 0.000 2.283) 2.726 6.022 ( 4.204 0.000 -7.192) 8.331 6.151 ( 3.703 0.000 4.465) 5.801 6.475 ( 8.802 0.000 -7.717) 11.706 7.142 ( 2.991 0.000 -0.795) 3.095 7.253 ( 9.155 0.000 0.841) 9.193 7.513 ( -6.761 0.000 4.241) 7.981 7.621 ( -1.092 0.000 3.268) 3.446 7.639 ( -8.906 0.000 -5.211) 10.319 7.722 ( -1.065 0.000 -1.085) 1.520 8.080 ( -7.833 0.000 12.610) 14.845 8.170 ( 3.005 0.000 3.343) 4.495 8.183 ( -2.989 0.000 -7.766) 8.321 8.565 ( -3.750 0.000 4.726) 6.033 8.663 ( 1.224 0.000 -8.713) 8.798 8.711 ( 9.269 0.000 -6.271) 11.191 9.850 ( 1.605 0.000 1.534) 2.220 9.974 ( 4.837 0.000 -2.498) 5.444 10.830 ( -2.601 0.000 3.584) 4.428 10.883 ( -5.511 0.000 -2.911) 6.232 11.682 ( -0.574 0.000 -2.672) 2.733 11.733 ( 1.778 0.000 -1.823) 2.546 12.201 ( -20.334 0.000 0.856) 20.352 12.472 ( -17.242 0.000 -0.867) 17.264 12.877 ( 2.236 0.000 -1.999) 2.999 13.102 ( 23.199 0.000 -5.335) 23.805 13.814 ( -1.716 0.000 7.411) 7.607 14.223 ( 6.827 0.000 -6.761) 9.609 15.049 ( 3.885 0.000 6.536) 7.603 15.098 ( -4.831 0.000 -5.727) 7.493 15.590 ( -14.619 0.000 5.382) 15.579 16.056 ( 2.828 0.000 10.344) 10.723 16.091 ( -9.107 0.000 -15.563) 18.032 16.179 ( 16.564 0.000 5.282) 17.386 16.717 ( -0.533 0.000 -9.611) 9.626 16.799 ( 10.433 0.000 4.655) 11.424 18.535 ( -1.502 0.000 14.446) 14.523 18.850 ( 3.084 0.000 -14.263) 14.592 21.875 ( 0.147 0.000 3.208) 3.211 21.888 ( -0.834 0.000 0.333) 0.898 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 3.063 0.000 8.695) 9.219 1.573 ( 1.893 0.000 1.504) 2.418 1.835 ( 5.176 0.000 0.520) 5.202 1.881 ( 7.779 0.000 -12.118) 14.400 2.227 ( -0.681 0.000 -3.135) 3.208 2.309 ( 1.018 0.000 3.462) 3.608 2.426 ( 8.267 0.000 -15.936) 17.953 2.766 ( -0.981 0.000 -3.268) 3.412 3.020 ( -5.542 0.000 3.188) 6.394 3.402 ( -0.527 0.000 3.015) 3.061 3.438 ( -6.475 0.000 -13.543) 15.012 3.819 ( 2.738 0.000 11.562) 11.882 4.050 ( -10.186 0.000 10.355) 14.525 4.265 ( 5.685 0.000 8.423) 10.162 4.524 ( 5.626 0.000 -1.126) 5.737 4.542 ( -3.138 0.000 0.616) 3.198 4.645 ( -0.668 0.000 -7.682) 7.711 4.931 ( -10.082 0.000 6.819) 12.172 5.221 ( -13.827 0.000 7.614) 15.785 5.571 ( -6.980 0.000 -8.461) 10.968 5.934 ( 0.839 0.000 6.160) 6.217 6.034 ( 6.461 0.000 -6.523) 9.181 6.270 ( 3.310 0.000 3.835) 5.066 6.527 ( 6.392 0.000 -5.720) 8.577 7.277 ( 10.851 0.000 1.122) 10.909 7.342 ( 0.969 0.000 -2.038) 2.256 7.414 ( -9.094 0.000 3.409) 9.712 7.527 ( -1.252 0.000 1.273) 1.785 7.629 ( -2.155 0.000 3.103) 3.778 7.664 ( -3.801 0.000 0.355) 3.817 8.022 ( -6.077 0.000 -8.736) 10.642 8.089 ( -4.501 0.000 7.685) 8.907 8.221 ( -4.625 0.000 5.850) 7.457 8.524 ( -4.534 0.000 1.669) 4.831 8.545 ( -2.837 0.000 -8.572) 9.029 8.819 ( 12.451 0.000 -7.310) 14.438 9.845 ( 0.747 0.000 -5.906) 5.953 10.008 ( 4.817 0.000 -5.746) 7.498 10.767 ( -8.355 0.000 2.864) 8.833 10.878 ( 0.124 0.000 8.460) 8.461 11.662 ( -0.218 0.000 0.491) 0.537 11.730 ( -2.720 0.000 1.071) 2.923 11.999 ( -5.762 0.000 5.293) 7.824 12.160 ( -17.049 0.000 -2.782) 17.275 12.792 ( -5.416 0.000 -7.690) 9.406 13.308 ( 8.319 0.000 -3.606) 9.067 13.887 ( 5.545 0.000 0.555) 5.573 14.271 ( 7.048 0.000 -5.143) 8.725 14.974 ( -5.698 0.000 -0.218) 5.702 15.173 ( 2.763 0.000 5.175) 5.867 15.525 ( -2.266 0.000 4.681) 5.201 15.792 ( -7.767 0.000 -10.657) 13.187 16.193 ( -0.902 0.000 11.797) 11.831 16.519 ( 14.401 0.000 0.795) 14.422 16.683 ( 8.068 0.000 -0.688) 8.098 17.009 ( 8.902 0.000 5.425) 10.425 18.599 ( -7.566 0.000 9.984) 12.527 18.710 ( 0.850 0.000 -16.693) 16.715 21.865 ( -0.992 0.000 -1.673) 1.945 21.892 ( -0.587 0.000 0.533) 0.793 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 9.054 0.000 -13.567) 16.311 1.579 ( 5.985 0.000 -4.056) 7.230 1.927 ( 5.916 0.000 -0.539) 5.940 1.969 ( 2.435 0.000 10.500) 10.779 2.195 ( -1.744 0.000 0.494) 1.812 2.322 ( 3.449 0.000 1.102) 3.620 2.645 ( -4.408 0.000 -8.588) 9.653 2.658 ( 20.861 0.000 2.918) 21.064 2.867 ( -11.841 0.000 -5.683) 13.134 3.239 ( -16.759 0.000 -3.329) 17.087 3.286 ( -2.372 0.000 -2.082) 3.156 3.855 ( -0.203 0.000 -0.363) 0.416 4.159 ( 3.147 0.000 15.859) 16.168 4.298 ( -18.133 0.000 -13.733) 22.747 4.537 ( 3.952 0.000 8.307) 9.200 4.570 ( 6.990 0.000 5.614) 8.965 4.632 ( 4.637 0.000 -1.905) 5.014 4.890 ( -3.102 0.000 2.321) 3.874 5.069 ( -14.298 0.000 8.184) 16.475 5.345 ( -8.215 0.000 -9.954) 12.906 6.034 ( 1.629 0.000 6.766) 6.959 6.086 ( 6.316 0.000 -2.862) 6.934 6.346 ( 0.587 0.000 5.480) 5.511 6.555 ( 3.765 0.000 -3.355) 5.043 7.297 ( -8.921 0.000 3.948) 9.755 7.298 ( -5.576 0.000 -6.601) 8.641 7.326 ( -0.119 0.000 -1.455) 1.459 7.528 ( -5.260 0.000 2.029) 5.638 7.604 ( -6.335 0.000 2.228) 6.716 7.727 ( 6.948 0.000 2.539) 7.398 7.831 ( -3.243 0.000 -7.991) 8.624 8.103 ( -1.078 0.000 3.853) 4.001 8.171 ( -7.250 0.000 8.121) 10.887 8.421 ( -0.911 0.000 -7.584) 7.638 8.500 ( -1.942 0.000 3.945) 4.397 8.934 ( 11.226 0.000 -6.950) 13.203 9.786 ( 2.777 0.000 -7.441) 7.942 10.012 ( 5.309 0.000 -7.275) 9.006 10.680 ( -10.168 0.000 7.672) 12.738 10.990 ( 1.556 0.000 8.635) 8.775 11.644 ( -9.549 0.000 2.162) 9.790 11.683 ( -0.573 0.000 3.797) 3.840 11.901 ( -8.545 0.000 -6.092) 10.494 12.139 ( 7.435 0.000 11.052) 13.320 12.581 ( -6.738 0.000 -9.203) 11.406 13.324 ( -2.315 0.000 0.389) 2.347 13.986 ( 9.350 0.000 -6.027) 11.124 14.316 ( 5.635 0.000 -6.700) 8.754 14.924 ( -3.232 0.000 4.382) 5.445 15.240 ( -0.012 0.000 3.646) 3.646 15.575 ( 1.014 0.000 5.073) 5.173 15.642 ( -2.665 0.000 -0.808) 2.785 16.284 ( -3.737 0.000 11.942) 12.514 16.608 ( 11.573 0.000 -12.510) 17.042 16.954 ( 11.292 0.000 8.421) 14.086 17.199 ( 7.166 0.000 5.112) 8.803 18.514 ( -14.350 0.000 7.976) 16.417 18.531 ( 0.342 0.000 -16.920) 16.923 21.827 ( -0.520 0.000 -2.810) 2.858 21.869 ( -1.063 0.000 -1.964) 2.234 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 15.016 0.000 -8.504) 17.257 1.646 ( 8.340 0.000 -5.219) 9.838 2.041 ( 4.805 0.000 -0.176) 4.808 2.069 ( -1.455 0.000 3.722) 3.996 2.122 ( -6.816 0.000 2.770) 7.358 2.431 ( 3.754 0.000 0.109) 3.755 2.542 ( 2.369 0.000 -2.319) 3.315 2.582 ( -10.579 0.000 -3.293) 11.080 2.928 ( -13.942 0.000 -5.061) 14.832 3.074 ( 17.496 0.000 9.259) 19.795 3.252 ( -0.599 0.000 0.840) 1.032 3.866 ( 0.776 0.000 -0.099) 0.783 3.903 ( -12.944 0.000 -5.717) 14.150 4.331 ( -2.016 0.000 10.921) 11.105 4.586 ( -0.931 0.000 3.209) 3.342 4.647 ( 0.729 0.000 -3.889) 3.957 4.776 ( 7.121 0.000 2.793) 7.649 4.848 ( -0.683 0.000 -3.543) 3.609 4.966 ( -10.576 0.000 9.255) 14.054 5.109 ( -6.417 0.000 -10.360) 12.187 6.119 ( 0.408 0.000 5.566) 5.581 6.167 ( 5.244 0.000 0.191) 5.248 6.417 ( -0.228 0.000 7.111) 7.115 6.589 ( 2.801 0.000 -0.270) 2.814 7.086 ( -6.893 0.000 -9.702) 11.902 7.185 ( -6.397 0.000 -1.501) 6.571 7.282 ( -6.973 0.000 -2.356) 7.360 7.420 ( -5.249 0.000 3.884) 6.529 7.480 ( -7.235 0.000 -3.345) 7.971 7.749 ( -3.257 0.000 -1.625) 3.640 7.810 ( 5.312 0.000 -1.339) 5.478 8.144 ( -0.486 0.000 4.105) 4.134 8.225 ( -1.130 0.000 10.066) 10.129 8.361 ( 2.353 0.000 -5.452) 5.938 8.543 ( -0.764 0.000 7.527) 7.565 9.021 ( 8.471 0.000 -6.639) 10.763 9.811 ( 7.246 0.000 -2.280) 7.597 10.059 ( 8.770 0.000 -3.288) 9.366 10.585 ( -11.229 0.000 5.875) 12.673 11.105 ( 0.997 0.000 7.998) 8.060 11.475 ( -11.769 0.000 -1.690) 11.890 11.670 ( -10.422 0.000 7.312) 12.731 11.796 ( 7.152 0.000 -9.651) 12.012 12.166 ( -5.683 0.000 -11.123) 12.491 12.618 ( 6.835 0.000 16.230) 17.611 13.296 ( -3.141 0.000 4.241) 5.278 14.028 ( 6.870 0.000 -10.624) 12.651 14.284 ( 2.319 0.000 -11.008) 11.250 14.963 ( -0.329 0.000 7.573) 7.580 15.270 ( -1.241 0.000 3.705) 3.907 15.656 ( 0.616 0.000 7.257) 7.283 15.694 ( 3.618 0.000 8.907) 9.614 16.335 ( -5.731 0.000 11.408) 12.767 16.649 ( 9.351 0.000 -12.260) 15.419 17.133 ( 8.562 0.000 -5.479) 10.165 17.318 ( 1.781 0.000 1.102) 2.094 18.353 ( -17.786 0.000 11.827) 21.359 18.391 ( 4.926 0.000 -14.043) 14.882 21.790 ( 0.048 0.000 -3.127) 3.127 21.822 ( -0.980 0.000 -3.415) 3.553 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -2.276 0.000 -4.211) 4.787 1.788 ( 7.476 0.000 -6.093) 9.644 2.001 ( 5.601 0.000 -3.912) 6.832 2.014 ( -2.828 0.000 0.917) 2.973 2.223 ( 2.247 0.000 6.993) 7.345 2.296 ( -3.569 0.000 -7.119) 7.963 2.578 ( 0.010 0.000 -0.432) 0.432 2.616 ( -0.340 0.000 -3.342) 3.359 2.763 ( 4.761 0.000 3.413) 5.858 3.138 ( -9.657 0.000 2.533) 9.984 3.443 ( 7.233 0.000 11.682) 13.740 3.863 ( -2.447 0.000 1.641) 2.947 3.915 ( 14.319 0.000 5.832) 15.461 4.283 ( -9.219 0.000 -1.544) 9.348 4.579 ( -1.068 0.000 -7.701) 7.774 4.609 ( -2.833 0.000 5.728) 6.390 4.757 ( -9.599 0.000 -6.000) 11.320 4.793 ( -4.735 0.000 1.597) 4.997 4.926 ( -2.140 0.000 2.029) 2.949 5.009 ( 6.592 0.000 -4.668) 8.077 6.164 ( -2.206 0.000 5.237) 5.682 6.255 ( 5.023 0.000 0.736) 5.077 6.497 ( 0.328 0.000 7.557) 7.564 6.623 ( 0.574 0.000 1.024) 1.174 6.925 ( 0.007 0.000 -8.170) 8.170 7.012 ( -6.590 0.000 -7.336) 9.861 7.229 ( -1.485 0.000 6.554) 6.720 7.340 ( -4.038 0.000 -4.595) 6.117 7.404 ( 0.792 0.000 -2.912) 3.017 7.642 ( -5.893 0.000 -3.646) 6.930 7.931 ( 6.152 0.000 5.455) 8.222 8.170 ( -1.415 0.000 3.194) 3.493 8.272 ( -4.574 0.000 6.931) 8.304 8.374 ( 5.046 0.000 -3.356) 6.060 8.612 ( -1.980 0.000 7.800) 8.048 9.054 ( 5.201 0.000 -7.606) 9.214 9.963 ( 10.125 0.000 3.535) 10.724 10.238 ( 13.960 0.000 1.350) 14.025 10.449 ( -10.851 0.000 3.426) 11.379 11.091 ( -13.737 0.000 -0.841) 13.762 11.327 ( 0.809 0.000 -0.148) 0.822 11.563 ( -9.245 0.000 3.246) 9.799 11.836 ( 7.104 0.000 -6.221) 9.443 11.947 ( -5.090 0.000 -9.192) 10.507 12.912 ( 4.308 0.000 17.945) 18.455 13.335 ( 0.174 0.000 7.331) 7.333 13.980 ( 3.728 0.000 -13.276) 13.789 14.168 ( 0.449 0.000 -13.353) 13.360 15.065 ( 1.408 0.000 8.851) 8.962 15.274 ( -2.315 0.000 2.197) 3.192 15.750 ( -1.165 0.000 10.653) 10.716 15.933 ( 8.649 0.000 14.926) 17.251 16.348 ( -7.609 0.000 10.537) 12.997 16.613 ( 2.151 0.000 -11.681) 11.878 17.139 ( 8.489 0.000 -15.904) 18.028 17.241 ( -6.625 0.000 -7.875) 10.291 18.218 ( -16.995 0.000 14.207) 22.151 18.425 ( 13.775 0.000 -7.428) 15.650 21.760 ( 0.363 0.000 -2.973) 2.995 21.771 ( -0.554 0.000 -3.503) 3.546 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -3.775 0.000 0.762) 3.851 1.650 ( -10.988 0.000 -3.538) 11.544 2.081 ( 6.375 0.000 -6.869) 9.371 2.090 ( 8.443 0.000 -4.628) 9.628 2.294 ( -1.239 0.000 7.237) 7.342 2.297 ( 7.617 0.000 5.669) 9.495 2.505 ( 1.023 0.000 -9.394) 9.450 2.515 ( -1.392 0.000 -6.217) 6.371 2.940 ( -15.582 0.000 0.196) 15.583 3.056 ( 14.104 0.000 9.152) 16.813 3.740 ( 12.068 0.000 14.233) 18.661 3.782 ( -10.505 0.000 -0.786) 10.534 4.101 ( -8.703 0.000 -3.588) 9.413 4.203 ( 7.516 0.000 -1.126) 7.600 4.408 ( -15.724 0.000 -5.200) 16.562 4.509 ( 4.961 0.000 -1.262) 5.119 4.669 ( -1.792 0.000 5.395) 5.685 4.751 ( -4.190 0.000 3.808) 5.662 4.923 ( 0.976 0.000 -1.915) 2.149 5.113 ( 10.689 0.000 -3.424) 11.224 6.166 ( -4.107 0.000 4.979) 6.454 6.333 ( 4.102 0.000 -0.753) 4.170 6.592 ( 1.335 0.000 6.837) 6.966 6.640 ( 1.206 0.000 0.192) 1.221 6.876 ( -1.056 0.000 -5.709) 5.805 6.910 ( 6.200 0.000 -5.055) 7.999 7.263 ( 0.011 0.000 -2.980) 2.980 7.302 ( 2.212 0.000 1.437) 2.638 7.412 ( 2.955 0.000 2.371) 3.788 7.500 ( -5.373 0.000 -4.432) 6.965 8.099 ( 6.057 0.000 6.196) 8.664 8.162 ( -1.611 0.000 -0.670) 1.745 8.236 ( -7.143 0.000 4.223) 8.298 8.440 ( 6.283 0.000 -2.035) 6.604 8.641 ( -5.039 0.000 8.208) 9.632 9.022 ( 2.274 0.000 -9.092) 9.372 10.163 ( 6.084 0.000 4.278) 7.437 10.229 ( -7.143 0.000 -7.582) 10.417 10.618 ( 15.944 0.000 14.199) 21.350 10.796 ( -9.857 0.000 -8.282) 12.874 11.383 ( -0.351 0.000 4.477) 4.491 11.444 ( -8.477 0.000 1.104) 8.549 11.835 ( 0.145 0.000 -3.539) 3.542 11.881 ( 6.343 0.000 -5.042) 8.103 13.126 ( 0.134 0.000 14.584) 14.584 13.440 ( 2.671 0.000 5.646) 6.246 13.875 ( 1.428 0.000 -12.404) 12.486 14.033 ( 1.227 0.000 -12.607) 12.667 15.187 ( 1.987 0.000 8.086) 8.327 15.241 ( -3.163 0.000 -0.295) 3.177 15.847 ( -3.783 0.000 14.145) 14.643 16.206 ( 6.147 0.000 3.754) 7.203 16.318 ( -9.696 0.000 9.449) 13.539 16.526 ( 1.089 0.000 -0.162) 1.101 16.984 ( -9.203 0.000 -12.925) 15.866 17.105 ( 7.952 0.000 -13.315) 15.508 18.097 ( -14.678 0.000 9.678) 17.582 18.630 ( 18.277 0.000 -4.639) 18.856 21.731 ( -0.275 0.000 -2.471) 2.486 21.739 ( 0.580 0.000 -2.281) 2.354 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -15.748 0.000 1.463) 15.816 1.460 ( -14.009 0.000 -0.278) 14.012 2.128 ( 11.844 0.000 -6.722) 13.618 2.216 ( 13.503 0.000 -1.294) 13.564 2.351 ( 2.925 0.000 -3.927) 4.896 2.413 ( -0.491 0.000 -5.244) 5.267 2.471 ( -0.796 0.000 4.792) 4.858 2.589 ( 14.760 0.000 7.021) 16.345 2.666 ( -15.748 0.000 -2.791) 15.994 3.235 ( -3.938 0.000 -1.108) 4.091 3.502 ( -16.713 0.000 -5.829) 17.701 3.863 ( -8.816 0.000 -3.773) 9.589 4.059 ( 6.662 0.000 -1.843) 6.912 4.168 ( 3.758 0.000 5.953) 7.040 4.329 ( 0.399 0.000 8.321) 8.330 4.668 ( 0.965 0.000 6.688) 6.757 4.731 ( 3.348 0.000 5.676) 6.590 4.744 ( 1.853 0.000 1.778) 2.569 4.900 ( 0.109 0.000 -3.737) 3.739 5.276 ( 14.257 0.000 -3.602) 14.705 6.146 ( -4.120 0.000 3.395) 5.339 6.351 ( 0.963 0.000 -3.756) 3.878 6.645 ( -2.694 0.000 1.952) 3.327 6.663 ( 2.715 0.000 -2.592) 3.754 6.857 ( 4.631 0.000 -2.934) 5.482 6.980 ( 5.756 0.000 -0.321) 5.765 7.298 ( 5.700 0.000 1.674) 5.941 7.340 ( 3.819 0.000 -0.440) 3.844 7.412 ( 0.540 0.000 -3.155) 3.201 7.538 ( 3.598 0.000 8.143) 8.902 8.078 ( -3.689 0.000 -7.403) 8.271 8.171 ( -5.374 0.000 4.088) 6.752 8.242 ( 5.518 0.000 2.339) 5.993 8.513 ( 5.310 0.000 -2.680) 5.948 8.633 ( -8.065 0.000 9.582) 12.524 8.939 ( 0.446 0.000 -9.696) 9.706 10.010 ( -7.629 0.000 -10.216) 12.750 10.099 ( -12.360 0.000 -4.215) 13.059 10.797 ( 14.893 0.000 -0.207) 14.894 11.083 ( 18.990 0.000 16.628) 25.241 11.324 ( -5.705 0.000 -0.408) 5.720 11.382 ( -6.145 0.000 5.201) 8.051 11.861 ( 5.251 0.000 -1.148) 5.375 11.932 ( 5.958 0.000 -3.877) 7.108 13.231 ( -3.502 0.000 9.655) 10.271 13.462 ( 1.341 0.000 -12.413) 12.485 13.809 ( -0.338 0.000 1.815) 1.847 13.955 ( 4.078 0.000 -8.947) 9.832 15.166 ( -4.159 0.000 -2.425) 4.814 15.291 ( 1.440 0.000 5.337) 5.527 15.917 ( -6.290 0.000 12.118) 13.653 16.129 ( -2.832 0.000 -12.647) 12.960 16.243 ( -11.639 0.000 8.573) 14.456 16.696 ( 7.153 0.000 6.376) 9.582 16.735 ( -5.889 0.000 -6.739) 8.950 17.142 ( 7.226 0.000 -0.214) 7.229 17.953 ( -12.662 0.000 4.775) 13.533 18.871 ( 18.628 0.000 -7.130) 19.946 21.708 ( -0.415 0.000 -0.793) 0.895 21.733 ( 0.838 0.000 -0.820) 1.173 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -22.014 0.000 -0.026) 22.014 1.177 ( -19.779 0.000 6.430) 20.798 2.178 ( -16.384 0.000 -5.590) 17.311 2.271 ( 4.996 0.000 -6.987) 8.590 2.370 ( 3.119 0.000 1.079) 3.301 2.399 ( -5.129 0.000 -8.834) 10.215 2.452 ( 7.590 0.000 0.338) 7.598 2.637 ( 10.327 0.000 13.751) 17.197 2.890 ( -16.473 0.000 -11.972) 20.364 2.963 ( 19.537 0.000 9.730) 21.826 3.299 ( -3.810 0.000 -3.885) 5.442 3.830 ( -0.546 0.000 6.451) 6.474 3.961 ( -2.057 0.000 -7.538) 7.814 4.417 ( -2.793 0.000 8.308) 8.765 4.449 ( 8.997 0.000 9.453) 13.049 4.629 ( -6.110 0.000 -0.744) 6.155 4.769 ( -3.856 0.000 -1.710) 4.218 4.925 ( 6.388 0.000 3.146) 7.121 4.927 ( 13.288 0.000 3.850) 13.834 5.472 ( 15.795 0.000 -6.275) 16.996 6.089 ( -6.340 0.000 0.002) 6.340 6.293 ( -1.054 0.000 -5.903) 5.997 6.544 ( -8.217 0.000 -1.056) 8.284 6.657 ( 2.375 0.000 -5.945) 6.402 6.962 ( 7.984 0.000 3.315) 8.645 7.094 ( 4.891 0.000 4.663) 6.757 7.396 ( 3.131 0.000 0.252) 3.141 7.437 ( 5.565 0.000 4.325) 7.048 7.502 ( 9.602 0.000 3.893) 10.361 7.670 ( 2.192 0.000 5.844) 6.242 7.919 ( -2.664 0.000 -10.596) 10.925 8.150 ( -3.134 0.000 4.380) 5.385 8.313 ( 3.500 0.000 -2.940) 4.571 8.535 ( 2.755 0.000 -5.654) 6.289 8.586 ( -10.559 0.000 9.254) 14.041 8.836 ( -0.002 0.000 -9.275) 9.275 9.774 ( -6.833 0.000 -10.554) 12.573 9.850 ( -11.519 0.000 -2.040) 11.698 11.101 ( 21.845 0.000 -5.251) 22.467 11.193 ( -5.678 0.000 0.314) 5.686 11.321 ( -9.418 0.000 9.593) 13.443 11.631 ( 23.453 0.000 12.999) 26.815 11.958 ( 8.153 0.000 -0.782) 8.190 11.982 ( 3.924 0.000 -1.600) 4.237 13.198 ( -5.751 0.000 -28.107) 28.689 13.228 ( -6.960 0.000 5.639) 8.958 13.875 ( -2.339 0.000 10.569) 10.825 13.967 ( 6.745 0.000 -5.551) 8.735 15.063 ( -4.802 0.000 -2.662) 5.491 15.338 ( -0.517 0.000 1.558) 1.642 15.889 ( -3.917 0.000 -0.886) 4.016 15.945 ( -2.815 0.000 -11.303) 11.648 16.145 ( -11.833 0.000 9.494) 15.171 16.703 ( -1.610 0.000 11.064) 11.181 16.783 ( 5.172 0.000 -6.843) 8.578 17.301 ( 4.708 0.000 5.139) 6.970 17.831 ( -9.358 0.000 8.878) 12.899 19.040 ( 15.305 0.000 -13.466) 20.386 21.701 ( -0.696 0.000 1.202) 1.388 21.750 ( 1.063 0.000 1.231) 1.627 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -17.857 0.000 14.011) 22.698 0.981 ( -18.076 0.000 15.964) 24.116 1.726 ( -37.285 0.000 9.733) 38.535 2.096 ( -12.830 0.000 0.197) 12.831 2.295 ( 5.493 0.000 -13.984) 15.025 2.457 ( -0.254 0.000 -10.004) 10.008 2.553 ( 9.996 0.000 2.005) 10.195 2.651 ( 0.792 0.000 -7.184) 7.228 2.970 ( 14.473 0.000 -0.051) 14.473 3.289 ( 2.762 0.000 2.305) 3.598 3.408 ( 22.124 0.000 7.201) 23.266 3.872 ( -1.545 0.000 -2.365) 2.825 3.990 ( 6.922 0.000 19.256) 20.463 4.418 ( -6.152 0.000 5.390) 8.179 4.470 ( -6.565 0.000 -6.881) 9.510 4.600 ( 1.837 0.000 1.484) 2.362 4.662 ( -4.386 0.000 -4.203) 6.075 5.131 ( 9.879 0.000 8.640) 13.125 5.144 ( 9.586 0.000 -3.624) 10.248 5.624 ( 14.921 0.000 -10.169) 18.057 5.928 ( -11.518 0.000 -1.849) 11.666 6.211 ( -1.181 0.000 -4.974) 5.112 6.415 ( -7.888 0.000 1.289) 7.993 6.614 ( 2.531 0.000 -9.403) 9.738 7.148 ( 4.835 0.000 6.245) 7.898 7.205 ( 2.245 0.000 3.776) 4.393 7.453 ( 3.769 0.000 0.527) 3.806 7.612 ( 7.726 0.000 8.269) 11.317 7.657 ( -8.486 0.000 -3.019) 9.007 7.676 ( 3.032 0.000 4.460) 5.393 7.809 ( 4.075 0.000 -7.793) 8.794 8.166 ( -2.862 0.000 6.902) 7.471 8.309 ( 3.801 0.000 -5.039) 6.311 8.497 ( 2.542 0.000 -5.040) 5.645 8.508 ( -9.839 0.000 7.908) 12.624 8.762 ( 2.869 0.000 -8.388) 8.865 9.607 ( -3.261 0.000 -1.953) 3.801 9.718 ( -5.927 0.000 3.576) 6.922 11.119 ( -3.326 0.000 -0.681) 3.395 11.135 ( -3.091 0.000 -7.430) 8.047 11.480 ( 11.298 0.000 6.208) 12.891 11.951 ( 5.997 0.000 -9.866) 11.546 12.126 ( 13.844 0.000 0.616) 13.858 12.170 ( 15.607 0.000 15.001) 21.648 12.706 ( -14.206 0.000 -26.620) 30.173 13.129 ( -12.305 0.000 4.150) 12.986 13.916 ( -7.291 0.000 10.037) 12.406 14.035 ( 8.677 0.000 -5.291) 10.163 14.968 ( -4.534 0.000 -0.523) 4.564 15.320 ( -0.911 0.000 -1.178) 1.489 15.808 ( -1.296 0.000 -5.551) 5.701 15.811 ( 0.103 0.000 -8.629) 8.629 16.121 ( -2.937 0.000 9.948) 10.373 16.751 ( 3.552 0.000 -11.277) 11.824 16.824 ( -3.230 0.000 10.579) 11.061 17.285 ( -4.200 0.000 -7.474) 8.573 17.911 ( -2.042 0.000 20.369) 20.471 19.037 ( 5.535 0.000 -17.923) 18.758 21.715 ( -0.499 0.000 3.344) 3.381 21.791 ( 1.057 0.000 3.034) 3.213 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -4.512 0.000 26.886) 27.262 0.980 ( -9.887 0.000 24.946) 26.834 1.382 ( -23.399 0.000 28.801) 37.108 1.922 ( -8.938 0.000 0.167) 8.939 2.249 ( 6.714 0.000 -12.381) 14.084 2.318 ( 1.714 0.000 -14.689) 14.789 2.633 ( 5.593 0.000 -8.849) 10.468 2.701 ( 5.235 0.000 2.571) 5.833 3.106 ( 6.485 0.000 -1.656) 6.693 3.324 ( 0.837 0.000 -0.361) 0.912 3.609 ( -0.536 0.000 -8.952) 8.968 3.980 ( 10.835 0.000 6.864) 12.826 4.314 ( -2.059 0.000 -3.792) 4.315 4.315 ( -10.607 0.000 3.638) 11.213 4.429 ( 12.558 0.000 11.407) 16.965 4.520 ( -4.055 0.000 -9.065) 9.930 4.627 ( 3.090 0.000 -0.705) 3.169 5.074 ( -10.388 0.000 -2.961) 10.802 5.373 ( 7.272 0.000 6.735) 9.912 5.747 ( -8.965 0.000 3.419) 9.595 5.768 ( 14.478 0.000 -9.105) 17.103 6.139 ( -1.357 0.000 -5.869) 6.023 6.299 ( -8.988 0.000 1.670) 9.142 6.510 ( -0.492 0.000 -12.882) 12.891 7.078 ( -10.778 0.000 0.637) 10.797 7.231 ( -2.047 0.000 0.670) 2.154 7.528 ( 3.145 0.000 2.374) 3.941 7.532 ( -3.082 0.000 5.019) 5.889 7.688 ( 3.639 0.000 -5.386) 6.500 7.807 ( 7.686 0.000 -0.262) 7.691 7.893 ( 3.807 0.000 5.573) 6.749 8.177 ( -7.538 0.000 9.300) 11.971 8.355 ( 5.618 0.000 -5.244) 7.685 8.480 ( -3.128 0.000 7.174) 7.827 8.581 ( 8.438 0.000 1.605) 8.589 8.705 ( 3.359 0.000 -12.331) 12.780 9.704 ( 9.950 0.000 8.218) 12.905 9.719 ( -1.877 0.000 6.956) 7.205 10.993 ( -5.240 0.000 -5.026) 7.260 11.062 ( -2.150 0.000 -2.239) 3.104 11.656 ( 6.806 0.000 -0.523) 6.826 11.821 ( -4.709 0.000 -9.179) 10.316 12.340 ( 8.372 0.000 -7.652) 11.342 12.411 ( 17.697 0.000 2.202) 17.833 12.608 ( 8.239 0.000 11.731) 14.335 12.921 ( -18.165 0.000 3.262) 18.455 13.858 ( -11.948 0.000 9.243) 15.106 14.121 ( 9.513 0.000 -6.441) 11.489 14.916 ( -3.149 0.000 2.830) 4.234 15.295 ( 0.187 0.000 -3.664) 3.669 15.766 ( 1.311 0.000 0.359) 1.359 15.778 ( 5.598 0.000 -5.120) 7.587 16.239 ( 2.471 0.000 5.636) 6.154 16.645 ( 0.491 0.000 -15.104) 15.112 16.650 ( -18.855 0.000 -8.381) 20.634 17.084 ( -7.803 0.000 -9.339) 12.170 18.131 ( 0.479 0.000 20.558) 20.564 18.921 ( 1.055 0.000 -6.910) 6.990 21.759 ( 0.243 0.000 4.989) 4.995 21.843 ( 0.634 0.000 3.547) 3.603 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -2.474 1.839 22.135) 22.349 1.255 ( 4.275 5.384 22.372) 23.405 1.775 ( 0.650 0.723 -3.679) 3.805 1.911 ( -0.412 7.729 1.968) 7.987 2.198 ( 1.072 7.315 3.290) 8.092 2.345 ( 1.857 5.603 -7.376) 9.448 2.598 ( 7.212 -3.572 -5.851) 9.951 2.788 ( 3.217 1.078 -2.510) 4.220 3.126 ( 3.821 -2.509 -3.243) 5.605 3.243 ( -1.276 -9.545 2.328) 9.907 3.473 ( -4.227 4.314 -0.700) 6.080 3.911 ( -4.169 -8.426 -12.534) 15.667 4.079 ( -15.801 -1.621 11.238) 19.457 4.426 ( 2.754 3.504 3.822) 5.871 4.430 ( 3.742 -1.996 2.421) 4.883 4.510 ( -6.394 2.635 -0.758) 6.957 4.619 ( 7.316 -3.759 8.897) 12.117 4.860 ( -3.883 -7.345 -2.896) 8.798 5.427 ( -4.107 -0.984 2.365) 4.840 5.741 ( 2.301 -5.999 -9.259) 11.269 5.933 ( 1.077 8.938 2.742) 9.411 6.113 ( 2.431 4.770 -4.912) 7.266 6.230 ( -7.108 5.471 0.756) 9.001 6.463 ( 6.239 2.564 -8.215) 10.629 6.904 ( 2.182 -12.405 5.699) 13.824 7.133 ( -1.433 -4.393 -4.064) 6.154 7.510 ( -1.859 -2.525 5.394) 6.239 7.602 ( 0.085 -0.212 1.930) 1.943 7.736 ( -3.778 1.932 -1.953) 4.672 7.776 ( 4.630 -1.607 -2.428) 5.469 8.038 ( -2.887 0.971 8.662) 9.181 8.174 ( -1.662 3.130 0.670) 3.607 8.367 ( -2.559 2.037 -4.149) 5.283 8.605 ( 0.618 5.587 3.257) 6.497 8.634 ( 7.931 -0.376 -8.466) 11.607 8.827 ( 2.380 10.913 -3.863) 11.819 9.788 ( 1.320 0.529 5.842) 6.013 9.913 ( 5.069 1.033 -0.348) 5.185 10.663 ( -3.696 -14.046 5.685) 15.597 10.895 ( -0.361 -9.879 -4.007) 10.667 11.657 ( 2.932 -4.307 -2.988) 6.006 11.710 ( 0.268 -2.191 -4.622) 5.122 12.359 ( -13.105 -7.026 2.574) 15.091 12.488 ( 9.444 -5.346 -2.828) 11.215 12.943 ( 2.303 10.954 4.428) 12.037 13.101 ( 7.975 16.851 -3.227) 18.921 13.719 ( -6.977 -4.500 10.728) 13.566 14.103 ( 5.085 -6.931 -7.086) 11.140 14.908 ( -0.367 -3.156 3.853) 4.994 15.213 ( -0.041 -2.215 -9.813) 10.060 15.853 ( -1.928 0.780 5.824) 6.184 15.907 ( 8.792 2.817 5.037) 10.517 16.048 ( -11.120 2.004 -0.645) 11.318 16.474 ( -5.939 7.125 -15.839) 18.355 16.722 ( 8.698 10.142 -1.801) 13.482 16.910 ( -11.068 5.757 -6.849) 14.232 18.302 ( 0.772 -4.620 18.270) 18.860 18.886 ( 6.517 -3.238 -10.799) 13.022 21.834 ( 0.403 0.996 4.509) 4.636 21.882 ( -0.043 0.022 2.511) 2.512 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 5.348 2.603 17.574) 18.553 1.548 ( 0.781 7.387 14.191) 16.017 1.787 ( 9.405 -1.961 -11.029) 14.626 1.844 ( 5.362 -2.868 -9.631) 11.390 2.232 ( -0.329 3.922 -2.682) 4.762 2.339 ( 1.218 4.850 0.994) 5.099 2.639 ( 0.296 -6.573 -1.454) 6.738 2.762 ( 2.169 6.214 -7.390) 9.896 3.064 ( -9.552 -1.718 -4.090) 10.532 3.258 ( 8.079 -0.542 3.799) 8.944 3.588 ( 2.275 -3.264 9.808) 10.584 3.679 ( -4.483 -5.062 -10.644) 12.610 3.976 ( -10.766 1.683 15.032) 18.566 4.356 ( -11.115 -0.325 1.344) 11.201 4.474 ( 5.345 3.692 -1.376) 6.640 4.530 ( 0.982 -1.103 0.348) 1.518 4.730 ( -2.743 -1.992 -7.009) 7.785 4.872 ( 4.205 -4.889 9.771) 11.707 5.323 ( -11.021 -0.561 4.455) 11.901 5.669 ( -0.474 -5.108 -5.592) 7.589 5.943 ( -2.502 3.546 0.576) 4.378 6.108 ( -0.733 5.178 -2.840) 5.951 6.211 ( 5.653 6.215 1.049) 8.466 6.500 ( 7.453 1.507 -7.177) 10.456 7.041 ( 6.789 -9.386 4.796) 12.538 7.114 ( 4.353 -8.729 -3.421) 10.337 7.479 ( -8.931 -2.400 4.676) 10.363 7.600 ( -4.548 0.143 0.045) 4.550 7.630 ( -1.811 0.003 -0.059) 1.812 7.811 ( 1.990 3.852 -3.061) 5.308 8.071 ( -4.665 -0.853 9.139) 10.296 8.203 ( 0.898 2.952 1.016) 3.249 8.268 ( -2.656 4.405 -1.848) 5.466 8.628 ( 1.196 3.784 -1.656) 4.300 8.673 ( 2.852 1.479 -6.945) 7.652 8.776 ( 0.271 7.455 -3.513) 8.246 9.878 ( 3.705 2.713 1.865) 4.957 9.963 ( 4.338 -0.808 -2.857) 5.257 10.666 ( -3.434 -10.253 4.640) 11.767 10.859 ( 0.832 -6.456 -2.816) 7.093 11.642 ( 0.369 -3.918 -4.247) 5.790 11.697 ( 1.939 -3.123 -1.455) 3.953 12.093 ( -20.860 -3.736 4.247) 21.613 12.474 ( -10.184 -4.543 -1.001) 11.196 12.941 ( -0.270 9.228 -1.005) 9.286 13.287 ( 15.961 11.202 -5.908) 20.375 13.755 ( -2.986 -3.681 8.875) 10.062 14.106 ( 5.024 -9.854 -6.472) 12.815 14.966 ( -0.313 -5.133 5.814) 7.762 15.100 ( -0.704 -1.657 -7.750) 7.957 15.781 ( -7.243 12.255 3.994) 14.785 15.959 ( -5.541 -3.305 -1.266) 6.575 16.191 ( 13.800 1.249 10.287) 17.257 16.255 ( 0.126 10.257 -8.357) 13.231 16.679 ( -6.405 0.380 -7.595) 9.943 16.906 ( 9.167 8.228 4.454) 13.099 18.472 ( -1.987 -5.719 13.899) 15.161 18.831 ( 4.053 -2.618 -15.301) 16.044 21.875 ( -0.559 0.117 2.407) 2.474 21.897 ( -0.194 0.571 1.000) 1.168 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.252 -4.412 -10.772) 11.644 1.550 ( 6.544 3.602 10.891) 13.207 1.841 ( 11.282 0.257 -11.400) 16.040 1.962 ( 3.787 7.675 7.313) 11.257 2.194 ( 1.779 -2.191 -4.256) 5.106 2.357 ( -0.142 3.654 2.567) 4.468 2.558 ( 1.800 5.606 -7.996) 9.930 2.722 ( -1.548 0.382 -5.520) 5.745 2.961 ( -3.348 -4.496 3.524) 6.621 3.322 ( -2.073 -7.355 -8.715) 11.590 3.462 ( -6.765 2.063 -0.972) 7.139 3.803 ( 3.656 -2.205 10.965) 11.767 4.022 ( -7.084 -2.026 9.883) 12.327 4.262 ( 2.260 0.087 5.019) 5.505 4.493 ( -2.125 -2.030 0.543) 2.989 4.556 ( -1.652 -6.542 -8.501) 10.853 4.584 ( -0.114 2.767 -1.313) 3.065 4.958 ( -3.139 2.039 6.113) 7.168 5.189 ( -13.009 -2.382 5.834) 14.455 5.563 ( -5.468 -0.780 -6.540) 8.560 5.955 ( 0.976 2.137 4.596) 5.161 6.096 ( 2.754 4.158 -1.115) 5.111 6.304 ( 3.444 3.854 0.457) 5.189 6.529 ( 4.837 -0.175 -5.440) 7.282 7.116 ( 2.096 -11.394 -3.962) 12.244 7.262 ( 8.364 -7.889 5.430) 12.715 7.363 ( -7.899 -3.102 3.554) 9.201 7.558 ( -2.243 -0.524 -1.208) 2.601 7.603 ( -0.486 2.738 1.687) 3.253 7.800 ( -1.657 9.128 1.436) 9.388 8.100 ( -5.072 0.224 9.286) 10.583 8.109 ( -4.120 6.380 -4.856) 9.014 8.299 ( -1.005 4.015 2.963) 5.090 8.543 ( -2.511 0.065 -10.416) 10.714 8.581 ( -6.314 6.827 0.580) 9.318 8.835 ( 10.631 1.838 -5.509) 12.114 9.914 ( 2.942 6.228 -5.331) 8.710 9.997 ( 4.850 -0.887 -4.975) 7.004 10.668 ( -3.204 -7.373 5.579) 9.785 10.870 ( 0.512 -2.807 3.474) 4.495 11.622 ( 3.151 -5.188 -3.775) 7.148 11.705 ( -1.462 -2.207 1.457) 3.022 11.853 ( -16.283 -3.788 7.957) 18.515 12.243 ( -12.638 -0.256 -1.494) 12.729 12.887 ( -3.845 9.552 -4.333) 11.172 13.419 ( 7.070 8.548 -5.009) 12.171 13.815 ( 2.722 -5.499 3.437) 7.032 14.133 ( 5.866 -11.900 -4.804) 14.110 14.947 ( -4.789 -2.454 1.354) 5.549 15.109 ( 4.053 -3.717 1.754) 5.772 15.743 ( -7.099 3.896 0.233) 8.101 15.798 ( -1.625 13.515 -3.751) 14.120 16.285 ( 0.866 6.636 6.324) 9.208 16.521 ( 6.672 -0.270 -3.163) 7.388 16.578 ( 10.273 -6.153 5.901) 13.350 17.097 ( 7.214 7.024 5.710) 11.575 18.524 ( -7.243 -6.723 8.876) 13.283 18.694 ( 0.959 -2.179 -16.574) 16.744 21.866 ( -0.999 0.158 -0.901) 1.355 21.898 ( -0.668 0.445 -0.134) 0.814 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 10.701 -3.730 -11.628) 16.236 1.738 ( 6.811 6.913 0.811) 9.739 1.889 ( 6.553 0.696 -3.332) 7.385 2.050 ( 0.385 3.753 5.064) 6.315 2.204 ( -0.215 0.642 1.687) 1.818 2.400 ( 2.306 6.312 2.645) 7.222 2.586 ( -3.025 -3.806 -8.962) 10.196 2.663 ( 11.527 -0.597 3.258) 11.994 2.907 ( -6.255 4.342 -2.729) 8.089 3.149 ( -7.027 -8.164 -4.078) 11.518 3.286 ( -11.882 0.148 -2.557) 12.155 3.879 ( 0.289 1.232 1.034) 1.634 4.108 ( 2.144 -3.972 12.139) 12.951 4.220 ( -15.793 -6.243 -12.745) 21.233 4.436 ( 8.379 -7.123 2.104) 11.198 4.505 ( 1.230 -3.415 1.749) 4.029 4.709 ( 4.818 4.560 6.823) 9.516 4.936 ( -4.553 1.441 0.396) 4.792 5.050 ( -12.822 -0.676 8.769) 15.549 5.367 ( -7.154 1.612 -9.399) 11.922 6.024 ( 1.427 -0.334 3.293) 3.605 6.170 ( 4.912 5.526 1.681) 7.582 6.343 ( 0.056 0.962 2.977) 3.129 6.550 ( 3.755 -0.045 -2.594) 4.564 7.081 ( -1.638 -12.414 -2.849) 12.842 7.212 ( -9.388 -4.858 1.962) 10.751 7.398 ( -3.652 -2.281 -4.044) 5.907 7.513 ( 2.939 -9.882 1.897) 10.483 7.639 ( -5.334 11.804 2.921) 13.279 7.778 ( -2.787 10.485 1.755) 10.990 8.012 ( -0.661 9.104 -3.581) 9.805 8.152 ( -0.565 1.237 8.695) 8.801 8.229 ( -5.974 2.867 -2.149) 6.966 8.450 ( 0.888 6.076 -4.386) 7.546 8.506 ( -3.501 1.783 3.450) 5.228 8.954 ( 11.366 1.431 -6.358) 13.102 9.891 ( 3.852 9.246 -6.700) 12.051 10.014 ( 5.302 0.393 -5.691) 7.788 10.659 ( -6.236 -2.332 6.024) 8.978 10.951 ( 1.593 -3.427 7.421) 8.328 11.608 ( -5.622 -5.589 -1.632) 8.093 11.685 ( -4.895 -0.925 5.722) 7.587 11.729 ( -4.603 -6.479 0.118) 7.949 12.143 ( 0.196 -3.046 2.438) 3.906 12.749 ( -5.487 13.497 -3.824) 15.063 13.417 ( -2.199 7.729 -0.303) 8.042 13.908 ( 7.576 -6.641 -3.579) 10.691 14.176 ( 5.295 -12.259 -4.569) 14.114 14.915 ( -3.048 -0.665 4.751) 5.683 15.197 ( 3.647 -3.123 2.353) 5.347 15.611 ( -4.431 -0.884 -0.121) 4.520 15.806 ( -1.374 18.772 2.885) 19.042 16.339 ( -2.513 1.413 6.376) 6.997 16.553 ( 11.516 -2.091 -8.828) 14.660 16.915 ( 12.125 -3.135 10.978) 16.655 17.242 ( 4.295 3.605 2.777) 6.258 18.437 ( -11.119 -6.275 3.290) 13.185 18.522 ( -2.070 -2.063 -12.198) 12.543 21.834 ( -0.546 0.586 -2.420) 2.549 21.869 ( -1.235 -0.021 -2.197) 2.520 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 16.293 -1.569 -7.274) 17.912 1.784 ( 3.716 7.870 -6.318) 10.755 1.967 ( 1.651 -2.597 -0.758) 3.169 2.115 ( 1.796 2.800 4.926) 5.944 2.172 ( -6.009 2.350 2.400) 6.884 2.480 ( 3.826 1.421 0.575) 4.122 2.500 ( 0.332 0.465 -1.959) 2.040 2.670 ( -4.266 4.932 -2.324) 6.922 2.904 ( -11.204 -2.092 -3.451) 11.908 3.060 ( 11.315 0.254 7.583) 13.624 3.171 ( -0.667 -6.532 0.677) 6.601 3.852 ( -9.588 -2.179 -4.837) 10.958 3.911 ( -1.808 1.024 -0.971) 2.294 4.233 ( -1.787 -7.839 7.834) 11.226 4.509 ( 2.395 -6.939 -4.440) 8.579 4.578 ( 3.819 -3.748 2.487) 5.901 4.823 ( -7.581 -1.986 -0.851) 7.883 4.844 ( 4.297 2.714 2.339) 5.595 4.975 ( -9.400 1.013 8.270) 12.561 5.166 ( -4.089 4.213 -8.943) 10.698 6.068 ( 0.351 -2.352 2.099) 3.172 6.243 ( 1.930 2.548 0.425) 3.224 6.406 ( 1.581 1.312 7.118) 7.408 6.604 ( 4.231 1.728 0.410) 4.588 6.974 ( -6.790 -8.246 -3.989) 11.402 7.109 ( -4.280 -5.666 -0.068) 7.101 7.227 ( -8.407 -3.176 -5.287) 10.427 7.525 ( -2.987 6.901 -2.286) 7.860 7.596 ( -0.718 -4.117 3.274) 5.309 7.695 ( -7.246 13.727 -1.307) 15.577 7.969 ( -1.042 7.489 -1.541) 7.717 8.146 ( -1.764 -1.560 -0.202) 2.364 8.270 ( 4.225 2.862 3.983) 6.474 8.444 ( -0.329 9.806 1.098) 9.872 8.553 ( 0.429 1.537 8.001) 8.158 9.044 ( 8.461 1.594 -6.915) 11.043 9.925 ( 7.184 9.837 -2.579) 12.451 10.078 ( 8.263 2.182 -1.062) 8.612 10.594 ( -8.604 0.633 3.727) 9.397 11.063 ( 1.275 -3.720 7.856) 8.785 11.424 ( -11.596 -5.903 -4.027) 13.621 11.595 ( -10.050 -5.205 4.844) 12.311 11.756 ( 6.783 -1.272 -4.322) 8.143 12.149 ( -2.321 -2.758 -5.064) 6.216 12.736 ( 1.818 9.839 9.383) 13.717 13.388 ( -2.925 7.663 3.992) 9.122 13.942 ( 4.716 -7.534 -8.853) 12.545 14.191 ( 3.955 -8.784 -6.825) 11.806 14.947 ( -1.848 -0.355 8.010) 8.228 15.278 ( 3.739 -1.051 1.477) 4.155 15.624 ( 0.589 -3.351 7.939) 8.637 15.806 ( -3.597 13.520 5.284) 14.955 16.377 ( 0.713 -0.391 3.847) 3.932 16.641 ( 7.416 2.489 -5.600) 9.620 17.146 ( 8.753 0.898 -2.831) 9.244 17.286 ( 0.482 -2.602 -0.333) 2.667 18.282 ( -12.280 -5.544 5.027) 14.381 18.388 ( -0.202 -1.755 -7.419) 7.627 21.799 ( -0.102 0.679 -3.046) 3.122 21.818 ( -1.086 -0.334 -3.432) 3.616 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -3.746 1.650 -4.453) 6.049 1.776 ( 10.998 -1.851 -7.339) 13.350 1.976 ( -1.553 0.134 -1.924) 2.477 2.052 ( -0.269 2.975 1.423) 3.309 2.246 ( 3.070 1.999 2.327) 4.341 2.420 ( -2.826 9.253 -2.348) 9.955 2.595 ( 4.010 0.216 0.437) 4.039 2.653 ( -5.263 1.812 -4.375) 7.080 2.738 ( 4.874 -0.345 3.539) 6.034 3.105 ( -6.336 -2.319 2.764) 7.292 3.387 ( 7.475 -4.098 11.773) 14.536 3.772 ( 0.021 -5.670 3.340) 6.580 3.946 ( 7.276 -0.072 1.887) 7.517 4.208 ( -6.080 -6.242 -0.168) 8.716 4.458 ( -0.516 -7.381 -7.168) 10.301 4.596 ( -5.795 -5.783 0.195) 8.190 4.694 ( -4.444 0.893 -1.444) 4.757 4.893 ( -10.093 2.901 6.161) 12.176 4.907 ( 3.156 -0.637 -3.155) 4.507 5.087 ( 4.278 5.656 -4.505) 8.402 6.088 ( -1.037 -4.677 3.250) 5.789 6.252 ( -0.363 -2.706 -0.136) 2.734 6.522 ( 2.459 3.262 6.137) 7.373 6.664 ( 0.936 3.434 1.442) 3.840 6.853 ( -1.692 -5.281 -2.656) 6.149 7.045 ( -2.058 2.330 -5.099) 5.972 7.096 ( -0.876 -6.651 0.311) 6.715 7.458 ( -2.483 1.751 -6.395) 7.080 7.537 ( -3.556 9.405 0.435) 10.065 7.632 ( -3.024 5.319 1.215) 6.238 7.965 ( 0.427 2.658 2.232) 3.497 8.136 ( 0.177 -3.090 -0.392) 3.120 8.369 ( 2.996 6.334 3.486) 7.826 8.452 ( -1.042 8.435 2.772) 8.940 8.638 ( -1.005 2.667 6.918) 7.482 9.069 ( 4.826 0.887 -8.165) 9.526 10.066 ( 9.895 8.794 2.622) 13.495 10.271 ( 12.738 2.752 5.367) 14.093 10.464 ( -9.536 2.241 -0.495) 9.808 11.050 ( -12.498 -3.746 -2.679) 13.319 11.266 ( -0.487 -5.428 1.506) 5.654 11.499 ( -6.365 -4.835 2.304) 8.319 11.819 ( 5.748 -0.279 -3.137) 6.554 11.995 ( -5.150 2.271 -7.863) 9.670 12.934 ( 3.825 2.421 14.431) 15.124 13.421 ( -0.220 6.871 6.262) 9.299 13.876 ( 0.912 -8.340 -10.506) 13.445 14.151 ( 2.658 -3.212 -10.008) 10.841 15.021 ( -1.354 -1.989 9.791) 10.083 15.332 ( 2.682 2.459 -1.629) 3.986 15.781 ( 2.733 -7.077 13.130) 15.164 15.826 ( -3.288 5.658 9.713) 11.712 16.449 ( 3.401 1.988 3.379) 5.190 16.632 ( -1.763 6.040 -5.001) 8.037 17.111 ( 1.444 -1.407 -14.327) 14.468 17.263 ( -0.366 0.878 -6.016) 6.090 18.163 ( -15.817 -5.122 13.405) 21.356 18.400 ( 12.487 -2.743 -7.365) 14.755 21.763 ( -0.422 -0.023 -3.138) 3.167 21.770 ( 0.088 0.088 -3.341) 3.344 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -3.835 1.034 -0.770) 4.045 1.718 ( -6.467 4.529 -3.514) 8.642 2.008 ( 8.204 -3.901 -1.759) 9.253 2.125 ( 3.836 2.120 -5.115) 6.735 2.311 ( 7.302 1.512 4.762) 8.847 2.382 ( -5.600 4.967 0.393) 7.496 2.480 ( 0.124 -0.660 -4.450) 4.501 2.638 ( 2.173 8.891 -4.952) 10.406 2.929 ( -7.982 -1.423 2.318) 8.432 3.018 ( 7.101 -1.426 5.731) 9.235 3.676 ( 11.110 -5.481 13.576) 18.379 3.704 ( -10.309 -6.288 -1.021) 12.118 4.062 ( -7.193 -3.643 -2.556) 8.459 4.182 ( 8.503 -1.901 -2.004) 8.940 4.344 ( -7.489 -5.401 -2.166) 9.484 4.446 ( -0.324 -5.438 -4.422) 7.017 4.644 ( -3.894 -0.236 5.029) 6.364 4.834 ( -5.774 4.220 7.878) 10.640 4.913 ( 3.725 -0.341 -5.919) 7.002 5.161 ( 9.170 3.461 -3.836) 10.525 6.110 ( -2.168 -4.647 5.057) 7.202 6.251 ( 1.730 -6.060 -0.992) 6.379 6.590 ( 0.705 -0.294 3.131) 3.223 6.693 ( 1.406 3.403 0.195) 3.687 6.844 ( 1.066 0.137 0.282) 1.111 6.991 ( 4.546 3.039 -7.015) 8.895 7.170 ( 4.022 -3.765 4.602) 7.179 7.308 ( -3.876 -1.539 -7.112) 8.244 7.552 ( 0.622 10.455 2.371) 10.738 7.580 ( -1.763 7.475 -0.773) 7.719 8.015 ( 0.415 -3.147 4.079) 5.168 8.127 ( -0.065 -3.069 -1.891) 3.606 8.405 ( -2.878 10.476 3.071) 11.290 8.507 ( 4.960 6.954 1.081) 8.610 8.672 ( -3.623 2.253 6.860) 8.079 9.027 ( 2.063 0.326 -9.255) 9.488 10.260 ( 6.641 8.540 3.906) 11.502 10.280 ( -8.675 4.260 -5.754) 11.248 10.584 ( 11.270 -2.306 10.968) 15.895 10.776 ( -4.798 -1.667 -8.601) 9.989 11.292 ( -5.012 -5.644 6.676) 10.077 11.452 ( -1.250 -2.177 -0.119) 2.513 11.833 ( -1.558 0.733 -2.337) 2.903 11.909 ( 5.060 1.654 -4.110) 6.725 13.130 ( 1.467 0.675 13.107) 13.206 13.479 ( 1.399 2.186 -0.449) 2.634 13.779 ( -1.232 -5.933 -4.195) 7.370 14.073 ( 2.795 0.710 -11.564) 11.918 15.100 ( -2.311 -3.674 8.948) 9.945 15.338 ( 2.692 4.347 -3.998) 6.491 15.870 ( -4.138 1.960 11.235) 12.133 15.967 ( -0.037 -11.016 11.388) 15.844 16.473 ( -5.860 1.796 -7.477) 9.668 16.588 ( 5.014 9.111 5.881) 11.948 16.936 ( -6.985 -1.160 -7.826) 10.553 17.179 ( 3.634 4.084 -11.179) 12.444 18.044 ( -14.908 -4.921 9.722) 18.466 18.596 ( 18.591 -3.577 -5.185) 19.629 21.727 ( -0.188 -0.190 -2.136) 2.153 21.744 ( 0.583 0.212 -2.605) 2.678 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -13.151 2.875 -2.716) 13.733 1.594 ( -9.764 9.211 2.251) 13.610 2.111 ( 9.424 -2.960 -6.531) 11.842 2.178 ( 8.091 -2.200 -0.229) 8.388 2.297 ( 3.498 -1.172 -5.886) 6.947 2.482 ( -2.248 3.138 4.361) 5.823 2.563 ( 10.738 0.545 8.320) 13.595 2.643 ( 5.559 9.371 -2.065) 11.089 2.705 ( -12.094 4.226 -5.558) 13.964 3.156 ( -3.768 -5.247 0.224) 6.463 3.437 ( -15.672 -4.975 -5.624) 17.378 3.850 ( -8.267 -0.964 -3.153) 8.901 4.000 ( 10.294 -6.221 4.408) 12.810 4.143 ( -1.522 -1.804 -2.375) 3.348 4.252 ( -0.998 -6.039 5.192) 8.026 4.577 ( 0.769 -4.578 5.806) 7.434 4.706 ( 7.033 -2.825 6.079) 9.715 4.867 ( 0.934 6.797 1.906) 7.120 4.899 ( 1.837 -0.020 -1.166) 2.176 5.287 ( 11.991 0.645 -4.056) 12.675 6.111 ( -3.116 -3.303 2.422) 5.146 6.283 ( 2.540 -5.236 -0.768) 5.870 6.633 ( 0.415 -0.264 0.779) 0.921 6.678 ( -0.570 0.918 -3.844) 3.993 6.882 ( 2.539 3.239 0.528) 4.150 7.028 ( 4.615 1.584 -1.934) 5.249 7.165 ( 2.338 -6.052 -2.832) 7.079 7.358 ( 6.364 -1.800 3.784) 7.620 7.526 ( -1.966 7.480 2.058) 8.003 7.652 ( 4.890 10.473 3.284) 12.015 8.030 ( -2.442 -3.743 -0.124) 4.471 8.095 ( -0.117 -1.981 -2.547) 3.229 8.391 ( -0.169 8.417 0.179) 8.421 8.579 ( 0.902 6.967 1.846) 7.263 8.686 ( -2.773 3.410 5.501) 7.042 8.944 ( 0.510 0.656 -9.251) 9.288 10.060 ( -9.302 4.923 -8.061) 13.257 10.193 ( -11.754 7.874 -4.835) 14.951 10.731 ( 12.520 -5.286 0.775) 13.612 11.013 ( 13.595 -6.831 10.583) 18.533 11.273 ( -3.797 -0.358 5.652) 6.818 11.427 ( -0.500 0.007 0.588) 0.773 11.829 ( 3.930 -2.178 -1.085) 4.622 11.972 ( 5.283 2.765 -1.369) 6.118 13.252 ( -2.192 1.727 9.740) 10.132 13.401 ( -0.097 -5.140 -15.120) 15.970 13.786 ( -1.745 -0.962 8.042) 8.286 14.007 ( 4.464 2.177 -10.513) 11.627 15.117 ( -4.134 -2.579 3.426) 5.956 15.352 ( 3.630 3.402 -2.919) 5.768 15.901 ( -5.528 -1.244 7.054) 9.048 16.015 ( -3.580 -7.029 4.163) 8.919 16.273 ( -9.406 1.964 -4.236) 10.501 16.698 ( 1.888 0.780 -2.476) 3.209 16.813 ( -2.170 6.876 3.409) 7.976 17.187 ( 5.598 3.226 0.847) 6.517 17.896 ( -12.807 -4.921 4.596) 14.469 18.837 ( 18.805 -3.850 -7.539) 20.622 21.711 ( -0.075 0.238 -0.432) 0.498 21.734 ( 0.817 0.125 -1.130) 1.400 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -19.005 4.984 -2.308) 19.782 1.423 ( -15.721 15.037 5.413) 22.418 2.148 ( 0.548 -4.539 -6.492) 7.940 2.266 ( 0.091 -1.272 -0.086) 1.278 2.364 ( 6.789 -0.941 -2.294) 7.227 2.372 ( -9.402 1.290 -6.743) 11.641 2.572 ( 1.704 7.275 -3.989) 8.470 2.712 ( 4.013 7.374 11.683) 14.387 2.853 ( -12.409 -0.795 -6.732) 14.140 2.942 ( 14.724 -2.211 6.902) 16.411 3.233 ( -2.541 -5.135 -4.208) 7.109 3.802 ( -0.963 -1.477 4.538) 4.868 3.968 ( -0.723 0.027 -6.942) 6.979 4.279 ( -1.201 -8.617 7.446) 11.451 4.347 ( 6.252 -10.036 6.729) 13.604 4.566 ( -4.319 -4.039 0.585) 5.942 4.808 ( -4.778 4.451 -0.644) 6.562 4.919 ( 8.276 -0.210 6.290) 10.397 5.049 ( 12.423 3.857 1.087) 13.053 5.445 ( 13.429 -2.153 -6.153) 14.928 6.065 ( -4.010 -1.272 0.235) 4.213 6.287 ( -0.240 -1.713 -2.639) 3.155 6.561 ( -6.588 1.521 -2.935) 7.371 6.615 ( -0.165 -0.970 -5.760) 5.843 6.952 ( 5.002 -2.308 1.481) 5.704 7.108 ( 4.696 1.257 4.285) 6.481 7.288 ( 8.962 -6.039 4.083) 11.553 7.449 ( 2.916 0.831 -0.579) 3.087 7.568 ( -0.772 -0.753 6.933) 7.016 7.782 ( 5.072 12.096 4.681) 13.926 7.942 ( -1.881 1.242 -6.895) 7.254 8.092 ( 1.460 -1.568 0.760) 2.273 8.402 ( 2.176 5.587 -1.885) 6.285 8.575 ( -4.765 4.771 4.193) 7.940 8.685 ( -0.772 6.560 -1.624) 6.802 8.845 ( -0.590 1.430 -9.016) 9.148 9.829 ( -8.681 5.515 -5.593) 11.707 9.951 ( -9.822 8.496 -5.372) 14.054 10.915 ( 7.431 -12.577 -2.052) 14.752 11.157 ( -9.336 -9.794 7.034) 15.250 11.296 ( 7.883 2.796 0.844) 8.407 11.640 ( 18.266 -0.395 7.113) 19.606 11.917 ( 8.415 -2.826 -1.384) 8.984 12.035 ( 2.540 2.420 1.429) 3.788 13.171 ( -3.165 -1.378 -20.763) 21.048 13.272 ( -6.540 3.285 6.326) 9.674 13.844 ( -4.003 -2.828 9.531) 10.717 13.996 ( 6.391 1.149 -7.667) 10.047 15.058 ( -4.245 -0.192 -0.870) 4.337 15.369 ( 2.364 1.792 -3.639) 4.695 15.821 ( -5.692 -2.760 -3.906) 7.434 15.998 ( -0.088 1.752 0.373) 1.794 16.105 ( -9.965 -1.911 2.315) 10.408 16.715 ( -3.679 1.664 8.426) 9.343 16.832 ( 4.167 4.880 -1.458) 6.580 17.322 ( 3.980 1.115 2.349) 4.754 17.775 ( -9.155 -3.971 9.741) 13.945 19.001 ( 14.919 -4.565 -13.555) 20.668 21.714 ( -0.267 1.061 1.366) 1.750 21.748 ( 1.058 -0.092 1.097) 1.527 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -16.858 6.795 6.575) 19.329 1.245 ( -17.156 15.343 10.979) 25.500 1.943 ( -24.179 17.540 7.580) 30.818 2.042 ( -11.346 -4.851 -1.512) 12.431 2.289 ( 3.074 -0.076 -8.666) 9.195 2.472 ( 0.029 -0.268 -11.233) 11.236 2.540 ( 9.164 -2.361 0.417) 9.473 2.644 ( -0.645 3.168 -2.744) 4.241 2.993 ( 10.961 2.711 -0.088) 11.291 3.142 ( 4.284 -10.662 3.316) 11.959 3.411 ( 18.255 -1.764 6.143) 19.342 3.873 ( 1.344 -1.328 4.621) 4.993 3.935 ( -0.174 -1.368 8.775) 8.883 4.282 ( -2.849 -7.650 1.626) 8.324 4.440 ( -2.032 -5.983 -5.572) 8.424 4.491 ( -0.875 -5.493 2.505) 6.100 4.722 ( -6.205 4.315 1.258) 7.662 5.136 ( 7.115 0.067 8.978) 11.455 5.197 ( 6.180 0.497 -6.362) 8.883 5.566 ( 13.426 -4.905 -9.450) 17.136 6.002 ( -3.122 5.743 -0.821) 6.588 6.227 ( -1.869 0.455 -3.372) 3.882 6.436 ( -6.031 1.835 -0.734) 6.347 6.557 ( 1.172 -2.283 -6.104) 6.621 7.017 ( 0.034 -8.641 -0.310) 8.646 7.260 ( 6.456 1.386 5.301) 8.467 7.427 ( -1.316 -4.986 -2.941) 5.936 7.494 ( 4.611 -6.744 3.764) 8.995 7.602 ( -4.947 1.161 11.320) 12.408 7.834 ( -1.142 7.144 -2.021) 7.512 7.905 ( 3.786 8.045 -0.753) 8.923 8.173 ( 5.791 0.457 1.300) 5.953 8.421 ( 2.666 7.483 -1.762) 8.136 8.544 ( -5.089 4.552 5.628) 8.848 8.617 ( 1.370 7.840 -7.553) 10.972 8.747 ( 0.897 0.141 -8.418) 8.467 9.704 ( -2.986 7.881 1.118) 8.502 9.784 ( -6.386 6.444 -0.495) 9.085 10.920 ( -4.837 -15.319 -2.646) 16.281 11.002 ( -9.357 -9.925 1.269) 13.699 11.507 ( 10.999 1.331 2.138) 11.283 11.900 ( 6.930 -5.345 -8.546) 12.232 12.055 ( 11.314 -3.103 2.103) 11.919 12.165 ( 10.824 -2.532 5.265) 12.300 12.895 ( -3.732 12.585 -13.886) 19.109 13.200 ( -9.224 6.054 4.283) 11.835 13.843 ( -8.575 -5.902 8.570) 13.484 14.035 ( 7.558 -1.080 -6.457) 9.999 14.975 ( -4.005 0.038 -1.739) 4.366 15.351 ( 2.073 1.113 -5.737) 6.201 15.703 ( -1.859 -0.849 -3.738) 4.260 15.951 ( -3.663 3.933 -4.240) 6.846 16.086 ( 0.269 -0.813 8.797) 8.839 16.680 ( -1.906 -1.994 -4.787) 5.525 16.954 ( 2.396 8.276 5.431) 10.185 17.277 ( -2.767 -1.246 -7.623) 8.205 17.865 ( -2.747 -2.586 20.574) 20.917 18.999 ( 6.442 -4.766 -17.819) 19.537 21.734 ( -0.217 1.587 3.146) 3.530 21.790 ( 1.111 -0.122 3.091) 3.287 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -4.133 1.405 22.068) 22.496 1.122 ( -15.024 9.957 16.994) 24.772 1.793 ( -11.311 25.176 18.093) 33.001 1.886 ( -6.891 -1.959 0.917) 7.222 2.222 ( 1.211 -0.302 -8.181) 8.275 2.396 ( 5.016 5.659 -11.829) 14.040 2.572 ( 3.892 -4.154 -6.290) 8.484 2.721 ( 6.268 1.428 0.337) 6.437 3.097 ( 5.231 -1.699 0.106) 5.501 3.202 ( 1.060 -9.001 -2.328) 9.357 3.607 ( 0.986 -1.172 -5.503) 5.712 3.965 ( 6.320 -2.570 3.698) 7.761 4.125 ( -3.946 -10.977 13.242) 17.647 4.285 ( 2.072 -2.904 -0.887) 3.676 4.346 ( 3.102 -4.780 4.614) 7.332 4.523 ( 0.643 -2.636 1.392) 3.050 4.620 ( -5.696 5.255 -2.368) 8.104 5.032 ( -11.868 -4.029 -5.052) 13.513 5.359 ( 6.529 -1.193 5.627) 8.701 5.693 ( 12.683 -4.955 -7.449) 15.521 5.955 ( -1.272 10.509 -1.842) 10.745 6.167 ( -1.165 2.119 -4.602) 5.199 6.334 ( -5.940 3.554 -0.469) 6.938 6.506 ( 1.185 -0.140 -7.966) 8.054 6.918 ( -8.957 -10.305 0.471) 13.662 7.239 ( -7.102 -1.839 -3.332) 8.058 7.434 ( 3.594 -4.077 5.077) 7.438 7.570 ( 0.975 -0.561 2.870) 3.082 7.681 ( 4.738 -1.421 0.490) 4.971 7.811 ( -2.236 3.231 0.956) 4.044 7.975 ( 1.071 5.980 5.836) 8.424 8.216 ( -1.799 1.990 -0.039) 2.684 8.409 ( 1.664 3.469 -4.499) 5.920 8.548 ( -1.524 6.844 6.179) 9.346 8.660 ( 5.337 -3.352 -12.213) 13.743 8.736 ( 10.049 10.718 0.081) 14.692 9.729 ( -1.444 3.622 4.747) 6.144 9.784 ( 4.859 4.823 5.899) 9.037 10.731 ( -12.355 -15.817 2.980) 20.291 10.943 ( -1.475 -10.807 -1.645) 11.030 11.632 ( 5.468 -1.975 -3.014) 6.549 11.789 ( -3.006 -3.084 -7.524) 8.670 12.299 ( 13.960 -3.090 -1.485) 14.375 12.374 ( 10.245 -6.269 0.830) 12.040 12.833 ( 1.746 16.030 2.355) 16.296 13.103 ( -5.533 13.573 2.433) 14.858 13.768 ( -11.415 -6.728 8.859) 15.938 14.083 ( 6.846 -3.757 -6.627) 10.242 14.909 ( -2.698 -1.371 0.411) 3.055 15.303 ( 1.236 -1.342 -8.319) 8.516 15.718 ( 4.455 2.828 2.801) 5.974 15.873 ( -1.588 2.047 -1.084) 2.808 16.177 ( -2.115 -2.526 4.474) 5.556 16.596 ( 0.319 1.424 -5.597) 5.784 16.846 ( -5.548 8.670 -16.583) 19.518 17.151 ( -7.212 6.755 -6.038) 11.580 18.073 ( -0.166 -3.997 21.425) 21.795 18.901 ( 3.902 -3.459 -10.778) 11.973 21.777 ( 0.287 1.507 4.542) 4.794 21.843 ( 0.662 -0.072 3.595) 3.656 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 5.647 12.197 9.443) 16.426 1.381 ( 2.604 6.686 11.684) 13.711 1.795 ( 3.290 1.483 -2.956) 4.665 1.918 ( -1.598 -2.632 -14.934) 15.248 2.369 ( -1.751 -2.191 0.626) 2.874 2.519 ( 2.317 1.781 -4.419) 5.298 2.570 ( -5.424 12.632 1.875) 13.875 2.791 ( 4.120 -0.897 -5.748) 7.129 3.052 ( -0.699 -6.087 4.056) 7.349 3.124 ( 8.544 2.233 -0.623) 8.853 3.510 ( -2.677 -2.057 1.238) 3.595 3.703 ( -6.750 -8.125 -5.386) 11.857 4.109 ( -8.347 3.882 12.414) 15.455 4.347 ( -3.039 -8.444 8.149) 12.121 4.419 ( 9.456 -0.600 7.412) 12.030 4.601 ( 4.218 2.594 -5.195) 7.177 4.658 ( 2.036 5.264 1.630) 5.874 4.735 ( -8.727 -0.310 -2.756) 9.157 5.388 ( -1.300 -2.074 1.388) 2.814 5.587 ( 1.058 -8.031 -6.277) 10.248 6.067 ( -2.783 3.256 1.949) 4.706 6.194 ( 3.811 1.930 -2.750) 5.081 6.392 ( -3.857 9.110 -1.883) 10.071 6.521 ( 4.485 2.627 -5.001) 7.213 6.689 ( -0.823 -6.810 5.988) 9.105 7.029 ( -1.622 -4.837 -6.684) 8.408 7.448 ( -0.264 -3.239 4.410) 5.478 7.567 ( 0.385 -3.140 0.791) 3.261 7.751 ( -1.466 1.324 3.306) 3.851 7.825 ( 1.160 4.220 -2.846) 5.221 8.052 ( -5.495 1.293 4.362) 7.133 8.223 ( 1.217 0.780 -2.641) 3.010 8.349 ( -1.636 -2.916 -1.607) 3.710 8.580 ( 7.129 -2.874 -11.454) 13.794 8.815 ( -0.358 10.794 4.764) 11.804 9.031 ( 3.062 6.990 -4.055) 8.642 9.815 ( 2.827 2.013 4.257) 5.492 9.959 ( 0.228 3.324 -0.858) 3.440 10.428 ( -1.781 -7.644 6.943) 10.479 10.626 ( -0.227 -13.941 -1.835) 14.064 11.562 ( 1.995 -4.255 -2.487) 5.317 11.648 ( -1.170 -3.434 -4.883) 6.083 12.259 ( -7.142 -3.103 2.809) 8.279 12.382 ( 4.361 -4.976 -1.320) 6.746 13.150 ( 2.247 7.978 4.645) 9.501 13.297 ( 0.123 1.667 -1.905) 2.534 13.711 ( 0.515 4.352 6.559) 7.888 13.951 ( -0.372 -6.399 -4.300) 7.719 14.819 ( -0.466 -4.560 0.769) 4.648 15.112 ( 1.120 -6.894 -11.243) 13.236 15.873 ( 1.101 0.938 2.698) 3.062 15.911 ( 3.644 -1.736 2.291) 4.641 16.176 ( -7.012 9.667 5.825) 13.287 16.570 ( -4.155 1.201 -9.886) 10.790 16.954 ( 8.021 11.798 -0.671) 14.282 17.171 ( -11.220 17.176 -8.270) 22.120 18.181 ( -0.193 -6.597 16.300) 17.586 18.749 ( 7.776 -9.803 -11.551) 17.029 21.855 ( 0.005 0.820 3.565) 3.658 21.880 ( 0.196 -0.205 2.685) 2.700 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 7.205 7.548 7.710) 12.974 1.648 ( 10.106 2.814 9.456) 14.124 1.684 ( -0.658 -4.053 -18.410) 18.863 1.886 ( 11.715 3.451 -2.471) 12.461 2.336 ( -2.664 0.173 -2.456) 3.627 2.439 ( -8.624 7.148 3.463) 11.724 2.496 ( 0.027 -4.229 -5.364) 6.830 2.826 ( 4.641 -1.329 -1.337) 5.010 3.014 ( -7.281 -3.396 -1.675) 8.207 3.243 ( 6.505 -1.914 -2.404) 7.194 3.524 ( -3.618 -2.066 1.708) 4.503 3.603 ( 1.186 -0.119 4.452) 4.608 4.045 ( -13.269 4.981 11.782) 18.430 4.304 ( -7.825 -5.388 4.245) 10.406 4.517 ( 0.068 1.149 -4.142) 4.299 4.597 ( 1.698 4.538 -3.706) 6.101 4.650 ( -2.897 -3.341 -1.924) 4.822 4.815 ( 10.102 0.531 5.951) 11.736 5.303 ( -9.146 -1.091 0.663) 9.234 5.559 ( 1.844 -4.979 -1.705) 5.576 6.031 ( -4.172 3.684 2.042) 5.929 6.195 ( -1.856 2.566 -1.574) 3.537 6.362 ( 2.776 6.746 -1.034) 7.368 6.529 ( 4.318 2.207 -5.478) 7.316 6.831 ( 6.253 -8.533 8.603) 13.636 6.956 ( 1.565 -6.758 -6.668) 9.622 7.430 ( -7.994 -2.388 4.042) 9.271 7.550 ( -2.126 -4.371 -1.499) 5.086 7.714 ( -1.276 7.146 0.841) 7.307 7.876 ( 4.827 2.498 -0.756) 5.487 8.046 ( -1.819 -1.098 5.621) 6.010 8.244 ( 1.440 0.763 -0.162) 1.638 8.319 ( -1.212 1.002 1.652) 2.280 8.580 ( 8.721 -5.101 -13.245) 16.658 8.835 ( -4.036 9.374 3.743) 10.870 8.965 ( -2.442 8.615 -4.429) 9.989 9.950 ( 3.717 0.773 -1.833) 4.216 9.960 ( 6.969 3.670 1.503) 8.019 10.470 ( -1.199 -7.551 2.958) 8.198 10.647 ( 4.884 -11.598 -0.421) 12.591 11.548 ( -1.281 -4.236 -4.202) 6.102 11.615 ( 2.561 -4.360 -0.075) 5.057 12.085 ( -16.975 1.584 4.075) 17.529 12.347 ( -7.373 -6.122 -0.984) 9.633 13.143 ( -2.480 7.524 0.056) 7.922 13.417 ( 11.576 0.512 -0.731) 11.610 13.764 ( -2.591 5.038 5.167) 7.667 13.887 ( -0.839 -8.972 -4.545) 10.092 14.854 ( 0.924 -5.454 3.942) 6.792 15.013 ( 1.434 -6.112 -9.327) 11.243 15.910 ( -3.527 0.099 -1.842) 3.980 15.956 ( 5.499 2.632 1.150) 6.204 16.244 ( 3.374 3.973 11.238) 12.388 16.423 ( -1.552 3.410 -4.888) 6.158 16.873 ( -11.519 18.322 -7.504) 22.906 17.128 ( 6.948 12.652 4.785) 15.207 18.315 ( -2.869 -8.751 12.046) 15.163 18.711 ( 5.058 -9.069 -14.898) 18.160 21.878 ( -0.943 0.155 1.903) 2.130 21.904 ( 0.074 0.054 1.251) 1.254 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.229 0.495 -13.092) 13.290 1.636 ( 8.235 3.767 4.254) 10.005 1.873 ( 11.914 3.161 -5.454) 13.479 2.087 ( 10.921 -0.725 1.562) 11.056 2.206 ( -6.790 6.619 -1.807) 9.653 2.440 ( -0.426 2.088 -1.162) 2.427 2.451 ( 0.898 -7.120 6.136) 9.442 2.816 ( -9.608 -1.605 -0.959) 9.789 2.922 ( 2.603 0.659 0.973) 2.856 3.213 ( -1.131 1.840 -10.340) 10.563 3.437 ( -8.350 -5.834 0.416) 10.195 3.746 ( 3.449 -2.039 8.931) 9.789 4.003 ( -4.320 0.819 7.066) 8.323 4.259 ( -1.785 -1.067 2.979) 3.633 4.396 ( -6.805 -4.614 -10.715) 13.506 4.508 ( -3.689 2.447 -3.334) 5.542 4.659 ( 2.080 2.367 5.205) 6.085 4.949 ( -0.405 -3.651 1.711) 4.053 5.170 ( -9.316 1.528 3.625) 10.113 5.542 ( -2.534 -1.162 -3.887) 4.783 6.010 ( -2.377 2.578 4.160) 5.441 6.172 ( 0.773 2.378 1.743) 3.048 6.396 ( 2.357 3.956 -1.716) 4.914 6.549 ( 3.871 3.208 -2.980) 5.844 6.873 ( -0.090 -10.816 -5.256) 12.026 7.076 ( 8.176 -8.928 7.064) 14.016 7.311 ( -10.212 -1.930 3.133) 10.855 7.464 ( -4.974 -5.499 -3.421) 8.166 7.781 ( 6.306 10.447 3.045) 12.576 7.964 ( 5.303 5.787 1.942) 8.086 8.093 ( -1.651 -0.581 6.822) 7.043 8.218 ( -3.613 3.600 0.745) 5.154 8.315 ( -2.742 -1.613 -2.182) 3.858 8.556 ( 4.355 0.794 -9.102) 10.122 8.788 ( -3.235 10.599 -0.372) 11.088 8.909 ( 1.435 5.231 -2.931) 6.166 9.975 ( 5.356 -0.067 -3.843) 6.592 10.088 ( 7.050 8.535 -3.438) 11.592 10.496 ( 0.784 -8.489 4.074) 9.449 10.745 ( 5.883 -8.264 1.569) 10.265 11.488 ( -0.998 -5.214 -2.674) 5.944 11.663 ( 1.318 -2.133 1.590) 2.969 11.860 ( -17.285 2.476 6.950) 18.794 12.166 ( -10.540 -5.211 -2.275) 11.976 13.106 ( -2.528 8.684 -1.118) 9.114 13.560 ( 9.163 2.140 -5.045) 10.677 13.750 ( -5.183 1.619 5.712) 7.881 13.847 ( 1.466 -12.947 -3.087) 13.390 14.883 ( -0.896 -3.533 0.848) 3.742 15.012 ( 5.067 -5.691 -0.065) 7.619 15.785 ( -7.643 3.761 -2.239) 8.808 16.078 ( 10.735 4.689 -3.548) 12.240 16.362 ( -2.443 1.792 5.378) 6.173 16.530 ( 6.854 -0.878 14.783) 16.318 16.647 ( -2.446 17.454 -10.122) 20.324 17.275 ( 3.643 9.520 5.408) 11.540 18.344 ( -6.646 -9.749 7.361) 13.907 18.591 ( 1.002 -8.023 -15.555) 17.531 21.871 ( -1.040 0.213 -0.173) 1.075 21.903 ( -0.789 -0.080 -0.597) 0.993 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 11.139 2.569 -8.645) 14.332 1.822 ( 8.006 1.871 3.720) 9.024 1.958 ( 8.041 3.796 -5.987) 10.720 2.116 ( -0.069 1.867 -1.883) 2.653 2.212 ( 0.745 0.785 2.126) 2.386 2.453 ( 0.773 -2.550 0.495) 2.710 2.578 ( 3.842 0.426 5.511) 6.732 2.649 ( -6.392 3.298 0.511) 7.211 2.961 ( -1.474 -7.666 -1.115) 7.886 3.063 ( -3.117 9.298 -3.604) 10.448 3.248 ( -11.911 -4.309 -3.414) 13.118 3.847 ( -1.324 -5.291 5.576) 7.800 4.045 ( 0.036 -1.770 0.838) 1.958 4.120 ( -8.527 -0.862 -8.712) 12.221 4.317 ( 4.062 -3.934 2.368) 6.130 4.447 ( -0.162 -1.595 -2.773) 3.203 4.784 ( 2.451 1.777 8.147) 8.691 4.876 ( -6.721 -5.945 -0.669) 8.998 5.080 ( -9.354 2.758 6.197) 11.555 5.398 ( -5.714 1.121 -7.776) 9.715 6.023 ( -1.551 0.569 3.612) 3.972 6.244 ( 3.934 0.596 1.130) 4.136 6.401 ( -0.290 3.884 0.633) 3.946 6.595 ( 3.855 4.708 0.594) 6.114 6.824 ( -0.913 -11.017 -1.959) 11.227 7.142 ( -8.173 -2.297 2.452) 8.837 7.286 ( 4.318 -10.390 2.579) 11.543 7.329 ( -5.813 -4.005 -4.228) 8.229 7.895 ( 0.584 10.897 2.139) 11.121 8.001 ( -2.691 8.668 -1.456) 9.192 8.137 ( -6.541 0.662 6.310) 9.113 8.194 ( 1.088 4.155 2.246) 4.847 8.231 ( 4.638 1.721 -6.676) 8.309 8.540 ( -1.853 4.959 3.366) 6.274 8.722 ( -1.878 12.847 -1.570) 13.078 8.968 ( 9.389 -0.642 -5.003) 10.658 10.040 ( 6.399 2.531 -1.682) 7.084 10.123 ( 5.407 11.300 -6.198) 13.977 10.561 ( 1.251 -7.083 3.172) 7.861 10.863 ( 4.209 -5.013 4.954) 8.209 11.421 ( -6.555 -7.285 -1.486) 9.912 11.681 ( -9.117 1.604 5.749) 10.897 11.705 ( -1.904 -0.368 0.650) 2.045 12.041 ( -1.748 -5.651 -0.298) 5.922 13.024 ( -5.263 10.874 -1.441) 12.167 13.583 ( 0.438 6.024 -3.583) 7.023 13.759 ( 0.509 -6.340 1.511) 6.537 13.871 ( 3.693 -14.381 -0.148) 14.848 14.899 ( 0.576 -0.918 3.626) 3.785 15.112 ( 4.442 -4.703 2.635) 6.985 15.659 ( -5.421 5.297 0.136) 7.581 16.212 ( 12.509 0.571 -6.977) 14.335 16.281 ( -13.068 13.166 4.885) 19.183 16.641 ( 9.539 8.596 -3.058) 13.200 16.837 ( 10.141 -3.758 13.527) 17.318 17.341 ( 0.240 5.637 0.012) 5.642 18.269 ( -10.240 -9.207 4.441) 14.469 18.425 ( -1.771 -7.452 -12.460) 14.626 21.845 ( -0.772 0.318 -1.768) 1.956 21.867 ( -1.442 -0.206 -2.446) 2.847 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 14.806 1.482 -6.299) 16.158 1.891 ( -2.562 1.061 -3.776) 4.685 2.002 ( 4.149 5.528 -4.405) 8.197 2.145 ( -0.177 -1.298 1.452) 1.956 2.223 ( 1.291 3.402 3.531) 5.070 2.427 ( 1.001 -1.978 0.378) 2.249 2.608 ( 0.025 5.213 2.251) 5.678 2.718 ( 2.284 -0.559 2.424) 3.378 2.856 ( -7.692 -2.000 -2.849) 8.443 3.030 ( -3.548 -4.638 -0.954) 5.917 3.141 ( 4.830 5.980 7.151) 10.499 3.780 ( -10.765 -5.996 -1.841) 12.459 3.901 ( -2.894 -1.326 -0.062) 3.184 4.113 ( 1.612 -1.094 -1.344) 2.367 4.373 ( 2.213 -5.396 -5.989) 8.360 4.465 ( 3.844 -6.934 1.969) 8.169 4.752 ( -6.625 -4.060 -1.371) 7.890 4.879 ( 1.150 -0.028 2.586) 2.831 4.994 ( -10.540 0.981 7.827) 13.165 5.247 ( -2.844 2.898 -5.688) 6.988 6.029 ( -1.711 -0.825 1.808) 2.623 6.253 ( -0.657 -0.805 -3.898) 4.034 6.458 ( 2.671 1.886 6.167) 6.980 6.685 ( 4.399 5.647 2.990) 7.757 6.784 ( -4.017 -8.534 0.997) 9.485 7.037 ( -5.911 -1.246 1.267) 6.173 7.177 ( -4.461 -2.181 -6.019) 7.803 7.367 ( 2.650 -10.488 -0.692) 10.840 7.816 ( -5.298 12.850 -1.397) 13.969 7.969 ( -5.434 10.953 0.488) 12.236 8.042 ( -3.398 -0.947 0.906) 3.642 8.167 ( -0.062 6.139 -5.774) 8.428 8.346 ( 6.740 3.228 1.409) 7.605 8.585 ( -2.434 5.796 9.865) 11.698 8.723 ( 1.526 10.849 1.066) 11.007 9.049 ( 7.709 -1.874 -6.536) 10.279 10.135 ( 6.670 7.251 -0.570) 9.869 10.181 ( 7.114 8.790 0.049) 11.309 10.591 ( 0.013 -1.803 0.452) 1.859 10.978 ( 1.483 -3.545 6.907) 7.904 11.244 ( -9.841 -8.273 -4.543) 13.636 11.542 ( -11.653 -0.594 3.559) 12.199 11.751 ( 5.443 0.653 -1.895) 5.800 12.059 ( 0.818 -5.163 0.009) 5.228 12.953 ( -2.639 9.526 2.479) 10.191 13.551 ( -1.505 5.983 0.628) 6.202 13.750 ( -0.647 -9.823 -3.154) 10.337 13.949 ( 4.847 -12.454 0.204) 13.365 14.970 ( 0.187 2.088 6.862) 7.175 15.202 ( 3.730 -4.743 2.414) 6.499 15.638 ( -0.139 4.186 4.288) 5.994 16.104 ( -10.991 6.262 1.387) 12.725 16.352 ( 11.790 7.854 -4.750) 14.942 16.775 ( 6.149 7.913 1.649) 10.156 17.120 ( 9.117 -4.186 7.905) 12.772 17.274 ( -2.691 2.775 -8.384) 9.233 18.132 ( -12.032 -8.631 4.743) 15.548 18.295 ( -0.225 -7.345 -7.224) 10.305 21.808 ( -0.773 -0.251 -3.085) 3.190 21.812 ( -1.026 0.099 -3.175) 3.338 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -1.369 2.679 -5.624) 6.378 1.724 ( 7.043 -1.864 -7.091) 10.166 2.009 ( -2.810 1.902 -0.786) 3.483 2.110 ( 0.628 1.655 -0.388) 1.812 2.287 ( 3.105 1.540 -2.334) 4.178 2.563 ( 5.044 1.757 4.949) 7.282 2.579 ( -8.295 -5.062 -0.615) 9.737 2.652 ( -2.179 5.764 -0.269) 6.168 2.809 ( 5.712 4.562 0.981) 7.376 3.050 ( 0.004 -3.097 3.736) 4.853 3.363 ( 5.077 3.314 11.836) 13.298 3.650 ( -4.342 -5.845 2.962) 7.861 3.901 ( 3.038 -3.153 1.260) 4.556 4.099 ( -0.036 -2.551 -2.577) 3.626 4.301 ( -0.420 -7.099 -8.574) 11.140 4.470 ( -5.601 -6.369 -1.685) 8.647 4.681 ( 0.578 -2.619 -2.057) 3.380 4.868 ( -3.320 -1.612 0.156) 3.694 4.940 ( -5.072 0.664 5.233) 7.318 5.188 ( 1.531 3.221 -3.106) 4.729 6.008 ( -2.078 -2.344 0.973) 3.281 6.186 ( -2.224 -2.847 -3.005) 4.699 6.553 ( -0.123 -0.941 4.361) 4.463 6.739 ( -1.616 1.889 3.730) 4.482 6.782 ( 1.767 -0.195 3.360) 3.801 7.007 ( 1.278 -1.105 0.035) 1.690 7.079 ( 0.150 0.341 -4.567) 4.582 7.350 ( -1.661 -8.842 -4.131) 9.899 7.763 ( -0.755 13.010 0.575) 13.044 7.868 ( -4.914 11.457 -0.519) 12.477 8.017 ( -2.967 1.611 1.152) 3.568 8.115 ( 1.282 3.172 -4.708) 5.820 8.460 ( 4.487 0.714 3.766) 5.902 8.646 ( -1.415 9.785 5.965) 11.547 8.750 ( -0.954 6.485 2.343) 6.961 9.069 ( 4.544 -0.861 -7.458) 8.776 10.267 ( 8.709 8.619 2.537) 12.513 10.323 ( 4.567 2.422 5.718) 7.708 10.578 ( 0.811 7.668 -2.554) 8.122 10.960 ( -9.278 -3.178 -5.177) 11.090 11.123 ( -1.055 -7.788 4.913) 9.269 11.407 ( -7.031 -3.475 0.585) 7.865 11.832 ( 6.134 1.360 -0.855) 6.341 12.005 ( -4.756 -1.214 -3.509) 6.034 13.013 ( 2.633 4.695 7.487) 9.221 13.536 ( -0.109 0.555 -3.435) 3.481 13.699 ( -2.910 -5.597 1.704) 6.534 14.003 ( 3.262 -10.083 -2.603) 10.913 15.033 ( -1.979 3.104 7.599) 8.444 15.292 ( 4.876 -5.153 0.490) 7.111 15.728 ( 2.319 2.284 7.666) 8.328 15.975 ( -7.796 4.761 3.300) 9.713 16.489 ( 9.523 7.675 -2.324) 12.450 16.835 ( -1.465 10.404 1.404) 10.600 17.099 ( -5.013 0.159 -9.512) 10.753 17.261 ( 5.270 -0.696 -4.230) 6.793 18.010 ( -14.584 -9.235 11.780) 20.898 18.291 ( 10.538 -8.036 -7.305) 15.132 21.757 ( -0.608 -0.369 -3.197) 3.275 21.772 ( -0.092 -0.141 -3.219) 3.223 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -0.329 3.429 -3.406) 4.844 1.776 ( 3.338 0.205 -5.766) 6.666 1.961 ( -0.426 -0.449 2.732) 2.802 2.161 ( 4.213 0.162 -4.020) 5.826 2.320 ( 4.644 -1.466 0.404) 4.886 2.352 ( -6.837 -4.155 -6.392) 10.240 2.592 ( -4.703 7.652 4.910) 10.236 2.767 ( 4.224 2.337 0.934) 4.917 2.930 ( 2.404 2.726 3.946) 5.365 3.043 ( -0.051 1.847 -0.264) 1.866 3.563 ( 0.723 -2.557 7.236) 7.708 3.597 ( -1.354 -2.169 3.906) 4.669 3.968 ( -3.445 -4.598 -0.408) 5.760 4.126 ( 5.148 -3.477 -5.099) 8.037 4.224 ( 1.650 -5.126 2.720) 6.033 4.334 ( -2.062 -4.450 -6.534) 8.170 4.627 ( -6.014 -2.072 1.128) 6.460 4.835 ( 0.645 -3.010 -1.046) 3.252 4.953 ( 0.544 2.750 3.769) 4.697 5.214 ( 5.565 0.958 -3.945) 6.888 6.015 ( -0.120 -3.491 3.883) 5.223 6.131 ( 0.089 -5.030 -2.830) 5.772 6.576 ( -1.195 -0.350 5.442) 5.583 6.752 ( 0.178 2.199 -2.042) 3.006 6.868 ( 2.938 0.880 5.947) 6.691 7.014 ( 3.158 0.221 -5.623) 6.453 7.113 ( 3.010 -2.511 2.514) 4.657 7.237 ( -4.048 -5.313 -5.555) 8.688 7.791 ( 1.099 12.023 1.083) 12.122 7.801 ( -1.886 12.371 -0.147) 12.515 7.991 ( -1.530 0.248 1.648) 2.262 8.094 ( 0.825 1.294 -2.540) 2.968 8.564 ( 0.592 2.535 4.550) 5.242 8.661 ( 2.337 4.052 -1.701) 4.978 8.756 ( -3.332 7.952 5.543) 10.250 9.041 ( 2.225 1.584 -7.426) 7.912 10.348 ( -6.533 1.577 1.308) 6.847 10.458 ( 9.909 6.434 3.618) 12.356 10.596 ( -4.871 6.346 -0.239) 8.004 10.755 ( 2.159 0.761 -7.086) 7.446 11.184 ( -1.302 -4.609 8.875) 10.084 11.348 ( -0.059 -6.838 -1.572) 7.017 11.858 ( -5.454 1.096 -1.639) 5.800 11.939 ( 5.217 1.152 -1.064) 5.448 13.159 ( 3.480 1.995 8.710) 9.589 13.439 ( -1.315 -6.144 -10.972) 12.644 13.722 ( -2.177 0.244 8.179) 8.468 14.001 ( 2.053 -7.469 -5.073) 9.259 15.079 ( -2.596 1.682 7.427) 8.045 15.348 ( 4.533 -3.574 -4.106) 7.083 15.850 ( 1.087 0.095 8.432) 8.502 15.923 ( -4.371 2.619 4.248) 6.634 16.541 ( -5.071 7.187 -0.467) 8.808 16.783 ( 2.450 8.833 -7.080) 11.583 16.976 ( -4.620 4.642 3.202) 7.290 17.234 ( 2.315 0.982 -8.645) 9.004 17.899 ( -13.919 -8.494 9.589) 18.917 18.461 ( 18.017 -9.584 -6.046) 21.284 21.724 ( -0.046 -0.187 -1.972) 1.981 21.743 ( 0.642 -0.350 -2.675) 2.773 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -5.989 7.138 -6.230) 11.209 1.784 ( 0.093 7.706 2.256) 8.030 2.008 ( 2.704 -5.554 -1.202) 6.293 2.138 ( 0.782 -3.029 -3.968) 5.053 2.255 ( 4.079 -2.476 -4.009) 6.233 2.503 ( 7.713 -5.145 9.158) 13.032 2.573 ( -2.281 5.108 2.330) 6.060 2.762 ( -1.697 2.305 -1.844) 3.405 2.894 ( -0.676 9.897 -6.085) 11.637 3.089 ( -0.009 -2.361 0.144) 2.365 3.397 ( -13.434 4.504 -2.073) 14.320 3.814 ( 1.741 -5.080 4.540) 7.032 3.849 ( 0.554 -3.582 1.608) 3.966 4.092 ( -0.426 -4.481 -5.795) 7.338 4.126 ( -3.559 -3.381 -1.892) 5.261 4.516 ( 3.598 -1.209 5.538) 6.714 4.594 ( 7.447 -7.629 3.033) 11.084 4.870 ( 4.598 -2.856 -1.543) 5.628 5.005 ( -0.409 5.707 4.901) 7.534 5.280 ( 8.461 -1.568 -3.918) 9.456 6.045 ( -0.656 -2.171 2.010) 3.031 6.157 ( 3.822 -6.133 0.492) 7.243 6.641 ( 0.394 1.069 3.573) 3.750 6.718 ( -1.103 1.790 -0.565) 2.177 6.929 ( -2.279 1.651 -2.791) 3.964 7.024 ( 4.791 -1.656 -0.702) 5.117 7.095 ( 2.995 -1.717 -3.906) 5.213 7.249 ( 2.846 -7.342 3.843) 8.762 7.734 ( -4.626 11.234 1.302) 12.219 7.879 ( 4.900 10.144 2.522) 11.545 7.992 ( -0.196 0.506 0.107) 0.554 8.089 ( 1.031 2.014 -0.868) 2.423 8.541 ( -1.263 4.161 -3.168) 5.380 8.708 ( -3.450 -0.340 5.924) 6.864 8.777 ( 2.786 9.109 0.357) 9.532 8.987 ( 1.024 3.801 -6.901) 7.945 10.206 ( -8.696 8.311 -3.833) 12.625 10.359 ( -12.810 5.879 -4.910) 14.925 10.614 ( 5.168 -5.335 -0.840) 7.475 10.886 ( 5.953 -2.276 8.220) 10.401 11.276 ( 2.111 -1.917 -2.072) 3.525 11.377 ( 6.653 -2.822 6.161) 9.496 11.788 ( -0.316 -1.436 -0.611) 1.592 12.012 ( 3.187 0.394 0.450) 3.243 13.276 ( -0.498 -2.319 -2.311) 3.311 13.302 ( 0.331 -0.602 -1.762) 1.891 13.767 ( -2.983 -1.438 6.566) 7.354 13.974 ( 2.212 -5.520 -5.452) 8.068 15.100 ( -3.045 1.014 4.172) 5.264 15.362 ( 4.248 -2.941 -5.860) 7.812 15.888 ( -3.415 0.117 0.805) 3.510 15.943 ( -0.114 1.146 6.263) 6.368 16.350 ( -11.882 6.431 -3.024) 13.845 16.774 ( -1.843 6.187 3.406) 7.299 16.976 ( -0.269 8.333 -1.205) 8.424 17.233 ( 4.524 0.572 1.142) 4.701 17.775 ( -10.514 -5.746 4.689) 12.867 18.684 ( 17.789 -10.994 -7.976) 22.382 21.714 ( 0.435 -0.015 -0.302) 0.530 21.736 ( 1.064 0.007 -1.082) 1.517 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -10.296 12.319 -6.523) 17.330 1.737 ( -11.207 13.934 4.402) 18.416 2.004 ( 0.589 -7.423 -4.744) 8.830 2.216 ( 6.813 -3.342 4.710) 8.931 2.293 ( 6.576 -5.067 -6.888) 10.787 2.408 ( -8.508 0.834 -5.066) 9.937 2.755 ( -7.404 8.583 -3.580) 11.887 2.813 ( 9.570 0.187 3.873) 10.326 2.853 ( 10.703 -3.386 5.466) 12.486 3.000 ( -8.960 9.640 -1.807) 13.285 3.171 ( -4.068 3.110 -3.569) 6.241 3.791 ( 0.383 0.037 2.820) 2.846 3.959 ( 2.943 -0.493 -5.892) 6.604 4.079 ( 2.488 -12.964 5.278) 14.216 4.143 ( -0.010 -4.121 7.128) 8.234 4.491 ( -2.713 -3.523 -1.344) 4.645 4.833 ( 7.895 -3.750 -1.518) 8.871 4.927 ( 3.176 -0.489 6.954) 7.660 5.073 ( 4.801 2.156 2.078) 5.658 5.384 ( 9.103 -3.616 -4.970) 10.984 6.065 ( 0.866 1.015 2.124) 2.508 6.206 ( 1.298 -4.828 -0.091) 5.001 6.573 ( -3.921 0.618 -6.353) 7.491 6.708 ( -3.798 7.315 -0.323) 8.249 6.855 ( -1.493 -5.189 1.127) 5.516 7.124 ( 5.861 -1.475 0.968) 6.121 7.194 ( 10.326 -2.920 -0.168) 10.732 7.317 ( 0.722 -9.080 2.266) 9.386 7.689 ( -5.791 8.496 6.111) 11.961 7.982 ( 1.333 3.438 -2.592) 4.507 7.991 ( 3.139 7.182 4.128) 8.858 8.115 ( 2.905 3.495 0.477) 4.570 8.499 ( 1.740 1.861 -5.127) 5.725 8.683 ( -7.071 3.946 7.112) 10.777 8.806 ( 2.713 5.954 -4.431) 7.902 8.926 ( 0.873 5.622 -7.856) 9.699 10.008 ( -9.530 11.387 -3.232) 15.196 10.136 ( -8.889 7.295 -4.414) 12.317 10.620 ( -1.638 -14.655 -0.509) 14.755 10.980 ( -10.168 -6.483 7.055) 13.971 11.309 ( 12.543 -0.841 -3.112) 12.951 11.632 ( 12.498 0.157 4.428) 13.260 11.844 ( 7.729 -4.019 0.337) 8.718 12.033 ( -0.937 -2.734 0.175) 2.895 13.164 ( 0.492 1.073 -9.177) 9.252 13.348 ( -2.900 3.516 5.693) 7.293 13.760 ( -4.678 -4.871 3.764) 7.732 13.962 ( 2.791 -4.653 -4.203) 6.863 15.063 ( -3.907 0.672 -0.918) 4.069 15.354 ( 3.186 -3.542 -6.983) 8.453 15.813 ( -2.292 1.559 -4.571) 5.346 15.992 ( -3.380 -1.361 5.561) 6.648 16.185 ( -5.394 10.445 1.660) 11.872 16.779 ( -5.979 4.286 5.217) 9.018 16.977 ( 3.509 7.709 3.142) 9.034 17.307 ( 2.206 -3.028 -4.591) 5.926 17.721 ( -4.430 -0.152 11.039) 11.896 18.825 ( 12.980 -12.203 -12.655) 21.852 21.732 ( 0.794 0.432 1.691) 1.918 21.751 ( 0.951 0.393 0.818) 1.315 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -7.383 17.348 -3.180) 19.120 1.555 ( -16.272 13.715 4.024) 21.658 1.919 ( -4.165 -4.772 -3.588) 7.279 2.148 ( -4.092 -1.234 -7.201) 8.373 2.375 ( 5.210 -0.027 -3.431) 6.238 2.461 ( 7.809 -3.497 4.897) 9.859 2.554 ( -9.919 14.778 3.727) 18.184 2.796 ( -2.828 10.163 -9.647) 14.295 2.926 ( 1.614 -8.147 0.439) 8.317 3.081 ( 7.352 4.780 0.671) 8.795 3.312 ( 14.089 -7.365 5.831) 16.934 3.853 ( 0.382 -0.793 5.411) 5.482 3.957 ( 0.351 2.732 1.901) 3.347 4.111 ( 1.288 -10.150 -0.270) 10.235 4.271 ( 2.131 -4.402 6.548) 8.173 4.430 ( -0.715 -2.949 -2.600) 3.996 4.802 ( -5.949 2.438 1.211) 6.542 5.079 ( 1.157 -5.824 2.099) 6.298 5.192 ( 7.478 0.962 2.120) 7.832 5.455 ( 9.497 -4.916 -6.870) 12.710 6.108 ( 1.083 3.429 0.420) 3.621 6.201 ( -0.159 -2.446 -0.841) 2.591 6.460 ( -2.061 1.131 -3.406) 4.138 6.620 ( -3.784 6.927 -3.013) 8.449 6.835 ( -2.503 -7.660 -1.724) 8.241 7.217 ( 2.805 -6.308 1.123) 6.994 7.312 ( -0.922 -3.804 -0.512) 3.947 7.374 ( 8.960 -4.588 2.756) 10.437 7.676 ( -6.532 5.045 9.255) 12.401 7.982 ( -0.887 7.101 -0.501) 7.174 8.036 ( 0.448 3.583 1.384) 3.867 8.198 ( 4.806 2.381 0.503) 5.387 8.487 ( 3.245 -2.017 -5.040) 6.324 8.666 ( -3.635 5.516 6.632) 9.360 8.758 ( -0.434 7.453 -9.358) 11.971 8.852 ( 3.218 7.938 -6.871) 10.981 9.872 ( -5.888 8.060 1.205) 10.054 9.975 ( -5.460 9.946 -2.648) 11.651 10.578 ( -5.205 -16.488 1.992) 17.404 10.794 ( -13.929 -9.131 1.084) 16.690 11.508 ( 10.121 -0.739 -0.715) 10.173 11.781 ( 4.503 -4.669 -5.515) 8.514 11.984 ( 7.004 -4.030 2.502) 8.459 12.092 ( 10.606 -4.047 1.628) 11.468 13.106 ( 0.130 7.353 -3.158) 8.003 13.344 ( -3.121 6.470 3.927) 8.187 13.706 ( -6.414 -6.192 3.284) 9.501 13.970 ( 3.341 -4.918 -3.549) 6.924 14.963 ( -4.454 -0.661 -4.043) 6.051 15.304 ( 1.387 -5.116 -9.045) 10.483 15.764 ( 1.353 4.106 -1.751) 4.665 15.935 ( -6.302 -2.608 1.533) 6.991 16.219 ( -0.977 12.771 8.818) 15.550 16.701 ( -2.561 3.500 -3.633) 5.657 17.117 ( 1.945 4.682 -3.678) 6.264 17.235 ( 2.880 -1.183 0.758) 3.204 17.847 ( -1.143 1.221 15.954) 16.042 18.820 ( 6.245 -11.840 -15.385) 20.393 21.768 ( 0.461 1.364 2.833) 3.178 21.788 ( 1.037 -0.016 2.973) 3.148 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.536 17.628 3.678) 18.015 1.365 ( -12.328 11.906 7.144) 18.568 1.827 ( -3.483 -1.283 -1.454) 3.987 2.045 ( 0.546 -1.371 -8.690) 8.814 2.383 ( -3.609 1.625 3.927) 5.575 2.490 ( 7.641 0.926 -6.359) 9.984 2.602 ( -4.060 17.711 3.872) 18.579 2.758 ( 6.608 2.583 -2.420) 7.496 2.959 ( 2.355 -7.034 3.819) 8.343 3.123 ( 2.110 -0.035 -7.803) 8.083 3.518 ( 4.323 -7.839 0.873) 8.995 3.846 ( -4.059 -8.089 -2.120) 9.295 4.025 ( -0.624 0.785 10.767) 10.814 4.210 ( 7.055 -3.552 6.574) 10.276 4.297 ( -0.317 -0.775 0.813) 1.167 4.490 ( 5.872 -1.072 3.676) 7.010 4.712 ( -5.657 3.492 0.013) 6.648 4.963 ( -11.973 -1.611 -3.053) 12.461 5.330 ( 5.400 -1.555 2.107) 6.001 5.564 ( 9.357 -6.605 -4.280) 12.226 6.092 ( -1.665 2.792 -0.234) 3.259 6.194 ( 0.738 0.097 -2.841) 2.937 6.436 ( 1.309 4.498 -1.457) 4.906 6.533 ( -2.301 4.045 -3.040) 5.558 6.738 ( -5.881 -6.086 -1.635) 8.620 7.153 ( -5.363 -5.602 -4.461) 8.948 7.370 ( 3.636 -2.483 3.578) 5.674 7.514 ( 4.683 -4.063 2.001) 6.515 7.691 ( -1.087 2.892 5.934) 6.690 7.905 ( -5.514 4.506 -1.407) 7.259 8.077 ( -1.779 3.674 4.361) 5.973 8.234 ( 2.424 -0.092 -3.218) 4.030 8.428 ( -3.495 -3.010 -5.151) 6.914 8.621 ( 2.946 0.286 -11.506) 11.881 8.757 ( 1.780 11.930 4.536) 12.887 8.926 ( 9.606 7.259 -0.042) 12.040 9.804 ( -3.781 2.932 0.548) 4.816 9.941 ( 0.055 9.238 2.657) 9.613 10.464 ( -11.000 -10.408 4.687) 15.853 10.664 ( -3.514 -14.026 0.107) 14.460 11.574 ( 3.044 -3.130 -5.119) 6.728 11.716 ( -1.515 -3.293 -4.583) 5.843 12.195 ( 9.471 -5.405 4.778) 11.906 12.272 ( 10.291 -4.220 -1.692) 11.251 13.086 ( -0.977 8.635 1.934) 8.903 13.343 ( -1.844 6.489 1.280) 6.867 13.658 ( -3.902 -1.824 5.511) 6.995 13.980 ( 2.145 -5.468 -3.608) 6.893 14.859 ( -2.970 -2.569 -2.927) 4.898 15.213 ( 1.016 -6.469 -10.503) 12.377 15.813 ( 3.677 3.327 2.193) 5.422 15.870 ( -3.258 -1.084 1.711) 3.836 16.247 ( -7.091 9.570 6.422) 13.532 16.665 ( 1.466 4.347 -2.696) 5.322 16.959 ( 0.540 3.148 -14.914) 15.252 17.345 ( -0.183 9.880 -1.119) 9.945 18.000 ( -1.314 -2.578 17.190) 17.432 18.753 ( 5.699 -10.182 -11.627) 16.472 21.810 ( 0.409 1.420 3.653) 3.941 21.839 ( 0.584 -0.244 3.618) 3.673 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 1.459 9.425 -2.093) 9.765 1.548 ( 3.101 9.190 2.323) 9.973 1.774 ( -0.222 -1.804 -1.753) 2.525 1.939 ( 3.072 3.331 -11.728) 12.573 2.257 ( 0.967 -6.085 -0.897) 6.227 2.414 ( 4.124 -8.144 -7.893) 12.068 2.764 ( -4.881 1.747 0.617) 5.221 2.812 ( 1.803 3.632 -4.583) 6.120 3.022 ( -3.777 1.737 -3.292) 5.303 3.142 ( -0.815 -3.745 -5.149) 6.419 3.493 ( 6.390 5.320 9.231) 12.424 3.626 ( -5.642 -1.155 2.632) 6.332 4.098 ( -3.467 -5.668 10.196) 12.170 4.206 ( -1.912 -4.273 4.357) 6.395 4.432 ( 3.841 3.225 6.288) 8.043 4.592 ( 3.919 -2.050 0.580) 4.461 4.782 ( -1.423 6.758 1.558) 7.080 4.838 ( -4.791 5.640 -0.008) 7.400 5.348 ( 0.955 -1.727 -0.208) 1.984 5.428 ( 0.576 -6.639 -3.756) 7.649 6.096 ( -1.706 0.727 1.551) 2.417 6.189 ( 2.233 -2.203 -1.327) 3.406 6.541 ( -3.519 2.744 -0.933) 4.559 6.554 ( 2.935 1.036 -0.009) 3.113 6.670 ( -0.311 5.530 0.686) 5.581 6.936 ( -2.269 -4.350 -6.244) 7.941 7.388 ( 0.629 -1.823 2.475) 3.137 7.482 ( 0.565 -4.530 0.022) 4.565 7.804 ( -0.967 3.101 4.029) 5.175 7.882 ( -1.217 0.605 -0.875) 1.616 8.128 ( -3.859 5.626 0.418) 6.835 8.226 ( 3.064 0.834 -5.043) 5.960 8.280 ( 0.552 -3.172 0.092) 3.221 8.486 ( 2.877 -6.239 -10.879) 12.867 9.010 ( -1.368 7.094 1.505) 7.380 9.116 ( 1.576 1.630 -1.795) 2.892 9.869 ( 3.861 3.215 3.003) 5.853 10.010 ( -2.097 -0.118 -1.522) 2.594 10.334 ( 1.538 -1.888 4.615) 5.218 10.387 ( -0.936 -7.288 1.681) 7.538 11.498 ( 0.693 -1.444 -2.645) 3.092 11.573 ( -2.317 -3.551 -4.964) 6.528 12.215 ( -2.284 -1.110 3.420) 4.260 12.281 ( 1.320 -4.285 1.813) 4.836 13.256 ( 4.617 2.022 -0.155) 5.043 13.281 ( -2.300 -1.136 -2.479) 3.567 13.805 ( 0.903 2.980 5.289) 6.137 13.873 ( -3.008 -1.003 3.048) 4.398 14.758 ( 0.062 -0.425 -3.855) 3.878 14.953 ( 1.299 -7.705 -10.769) 13.305 15.886 ( 2.211 0.130 2.714) 3.503 15.890 ( 1.490 -0.072 2.008) 2.501 16.367 ( -6.836 7.653 1.956) 10.446 16.558 ( -5.943 -1.979 -6.265) 8.859 17.223 ( 6.616 13.572 5.337) 16.014 17.495 ( -3.054 10.290 -3.755) 11.372 18.063 ( -1.051 -2.210 8.693) 9.031 18.493 ( 5.923 -13.979 -9.797) 18.069 21.866 ( -0.282 0.276 2.900) 2.927 21.876 ( 0.364 -0.194 2.609) 2.642 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 5.628 3.610 1.599) 6.875 1.614 ( 3.762 -1.920 -8.084) 9.120 1.764 ( 6.685 7.279 2.390) 10.168 1.950 ( 9.081 2.218 -6.820) 11.571 2.242 ( -0.109 -4.571 -1.765) 4.902 2.389 ( 1.823 -5.484 -7.005) 9.081 2.672 ( -6.417 8.957 -0.335) 11.024 2.794 ( -1.139 1.173 0.881) 1.857 2.889 ( -7.971 -6.617 -0.927) 10.401 3.153 ( 5.402 -6.761 0.155) 8.655 3.541 ( -6.218 3.538 -0.111) 7.155 3.649 ( 0.960 2.210 6.424) 6.861 4.115 ( -6.044 -0.419 6.579) 8.944 4.212 ( -3.166 -1.162 4.822) 5.884 4.513 ( 1.346 -1.063 -1.106) 2.041 4.570 ( -3.797 -2.512 -2.366) 5.131 4.725 ( -3.603 6.445 -0.047) 7.384 4.870 ( 1.030 1.992 2.594) 3.429 5.300 ( -2.728 1.563 -1.282) 3.396 5.465 ( 4.504 -4.220 0.387) 6.184 6.078 ( -3.252 1.411 2.261) 4.205 6.190 ( -0.156 -2.723 -2.015) 3.391 6.482 ( -1.987 5.022 -0.028) 5.400 6.594 ( 2.864 1.622 -0.871) 3.405 6.729 ( 2.021 -0.351 4.308) 4.771 6.835 ( -1.030 -4.429 -4.824) 6.629 7.381 ( -5.295 -1.961 2.431) 6.148 7.449 ( -2.757 -4.706 -2.307) 5.922 7.859 ( 3.904 4.792 3.084) 6.908 7.908 ( 4.112 0.452 1.089) 4.277 8.067 ( -2.075 4.378 -0.015) 4.845 8.253 ( 1.475 0.327 0.635) 1.639 8.329 ( 2.744 0.050 0.570) 2.803 8.445 ( 7.956 -7.244 -11.067) 15.436 9.002 ( -2.514 6.087 2.037) 6.894 9.087 ( -1.390 2.674 -1.915) 3.571 9.965 ( 2.053 1.253 -2.168) 3.238 10.027 ( 8.705 1.047 1.349) 8.871 10.372 ( 0.622 -1.681 -0.423) 1.842 10.448 ( 5.064 -6.214 2.155) 8.301 11.480 ( -1.623 -2.043 -2.936) 3.928 11.528 ( 2.430 -3.727 0.937) 4.546 12.123 ( -12.303 1.849 2.698) 12.730 12.236 ( -7.970 -4.312 0.161) 9.063 13.227 ( -0.315 1.645 -2.116) 2.699 13.366 ( 7.876 -4.575 -0.959) 9.159 13.803 ( -5.695 1.339 2.937) 6.546 13.871 ( -2.395 3.037 2.974) 4.879 14.761 ( 2.743 -2.587 -0.034) 3.771 14.875 ( 2.658 -6.414 -8.582) 11.039 15.920 ( 0.726 1.196 -0.652) 1.544 15.977 ( 6.672 -0.337 -0.307) 6.688 16.335 ( -2.698 4.132 6.907) 8.489 16.441 ( -3.254 -0.711 0.496) 3.368 17.286 ( -6.149 17.696 -2.959) 18.966 17.414 ( 1.833 13.499 1.221) 13.677 18.137 ( -2.330 -6.705 8.171) 10.823 18.458 ( 4.035 -14.494 -11.909) 19.188 21.882 ( -0.840 0.242 1.642) 1.860 21.900 ( -0.122 -0.430 1.251) 1.329 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 3.041 6.474 -6.905) 9.942 1.693 ( 7.950 1.272 1.955) 8.285 1.950 ( 9.152 2.568 -1.895) 9.693 2.020 ( 8.175 -3.533 -6.040) 10.761 2.249 ( 2.841 -5.214 1.390) 6.098 2.310 ( -2.060 -1.596 -4.992) 5.632 2.602 ( -2.804 10.725 2.977) 11.478 2.769 ( -5.868 -1.606 6.211) 8.695 2.844 ( 0.320 -3.680 0.948) 3.814 3.202 ( -2.353 -11.208 1.123) 11.507 3.420 ( -5.157 8.990 -5.400) 11.686 3.696 ( -0.574 -3.779 3.108) 4.927 4.066 ( -5.029 4.931 4.026) 8.113 4.220 ( -1.619 -1.643 0.551) 2.371 4.388 ( -7.152 2.375 -4.290) 8.672 4.542 ( -1.854 -1.010 -2.993) 3.662 4.678 ( -1.229 0.748 4.027) 4.276 4.840 ( -5.754 -5.693 -0.667) 8.122 5.256 ( -4.206 6.309 1.288) 7.691 5.504 ( -0.569 -2.968 -2.249) 3.767 6.054 ( -3.095 1.913 3.525) 5.066 6.169 ( 0.118 -2.389 0.372) 2.421 6.479 ( 0.437 4.075 0.414) 4.119 6.642 ( 3.245 2.445 0.833) 4.148 6.695 ( -2.078 -3.719 -4.527) 6.217 6.911 ( 5.476 -6.714 5.657) 10.347 7.282 ( -8.569 -0.591 1.184) 8.670 7.359 ( -4.147 -4.101 -3.393) 6.748 7.985 ( 5.861 8.045 0.782) 9.984 8.035 ( 6.345 2.037 6.233) 9.125 8.082 ( 2.155 -0.800 4.474) 5.030 8.239 ( -0.758 -3.265 -4.725) 5.793 8.321 ( -0.237 4.828 -1.915) 5.199 8.542 ( 11.051 -2.669 -3.361) 11.855 8.969 ( -2.466 6.484 -0.618) 6.964 9.027 ( -4.632 4.638 -0.831) 6.608 10.004 ( 6.751 3.049 -2.277) 7.749 10.193 ( 10.416 -1.290 -0.993) 10.542 10.374 ( 1.390 -0.495 -1.683) 2.238 10.566 ( 7.471 -7.947 1.258) 10.980 11.442 ( -1.643 1.034 0.670) 2.054 11.605 ( 3.254 -3.588 3.291) 5.856 11.921 ( -15.297 3.016 2.753) 15.833 12.063 ( -10.481 -4.308 -2.088) 11.522 13.211 ( 0.059 2.488 -1.454) 2.883 13.458 ( 5.505 -9.950 -2.747) 11.699 13.737 ( -4.750 3.243 1.609) 5.973 13.831 ( -5.440 2.723 1.956) 6.390 14.813 ( 3.042 -2.451 -0.271) 3.916 14.888 ( 5.525 -5.531 0.145) 7.819 15.884 ( -3.154 5.131 -1.933) 6.326 16.062 ( 7.621 -2.968 -6.238) 10.286 16.418 ( 2.404 2.605 8.176) 8.912 16.505 ( 1.572 -1.512 13.216) 13.395 17.110 ( -4.021 22.808 -9.660) 25.094 17.466 ( -0.399 7.392 2.867) 7.939 18.149 ( -5.324 -7.630 5.186) 10.652 18.361 ( -0.053 -13.161 -11.621) 17.557 21.875 ( -1.064 0.281 -0.012) 1.101 21.896 ( -0.925 -0.549 -0.525) 1.197 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 7.572 8.697 -4.035) 12.217 1.839 ( 7.287 -0.450 0.727) 7.337 1.997 ( 3.949 -0.560 -2.911) 4.938 2.068 ( 6.119 -4.830 -5.698) 9.655 2.257 ( 0.298 1.845 -2.213) 2.897 2.366 ( 4.825 -4.751 4.568) 8.168 2.628 ( -1.613 6.599 6.059) 9.103 2.738 ( -5.831 2.353 4.480) 7.721 2.867 ( 0.654 -0.467 1.384) 1.600 3.093 ( -8.237 -8.171 -3.232) 12.044 3.289 ( -3.685 9.721 -3.198) 10.877 3.682 ( -4.546 -9.447 1.089) 10.541 4.044 ( -4.740 1.855 -0.543) 5.119 4.136 ( -1.236 -0.344 -1.363) 1.872 4.308 ( -1.665 3.759 -1.293) 4.309 4.432 ( -2.382 -0.303 -7.064) 7.461 4.731 ( -5.987 -6.270 0.944) 8.721 4.769 ( 1.891 -3.565 6.751) 7.865 5.168 ( -9.167 5.902 2.755) 11.245 5.396 ( -6.070 -1.881 -4.923) 8.038 6.055 ( -1.918 2.546 3.458) 4.703 6.208 ( 2.371 -3.344 0.888) 4.195 6.474 ( -1.124 2.807 0.037) 3.024 6.632 ( -2.007 -6.539 0.090) 6.840 6.726 ( 3.966 6.335 2.887) 8.012 7.044 ( 4.707 -8.559 2.411) 10.061 7.155 ( -7.262 -0.182 -0.306) 7.271 7.252 ( -4.257 -3.399 -3.653) 6.559 8.032 ( 1.188 1.905 -0.224) 2.256 8.076 ( -4.712 -0.764 -0.611) 4.813 8.197 ( 1.285 6.728 4.388) 8.135 8.277 ( 2.772 2.302 3.045) 4.718 8.331 ( 9.241 7.826 -3.557) 12.621 8.650 ( 3.261 1.822 1.076) 3.887 8.913 ( -1.529 3.399 -3.396) 5.042 8.954 ( -1.218 2.601 -0.729) 2.963 10.119 ( 8.023 4.618 0.178) 9.259 10.317 ( 8.717 5.378 -4.784) 11.305 10.397 ( 3.197 -5.650 0.143) 6.493 10.718 ( 8.031 -8.880 3.024) 12.349 11.393 ( -7.846 4.578 1.483) 9.205 11.669 ( -3.612 -3.629 2.534) 5.713 11.740 ( -5.526 3.750 1.425) 6.828 11.927 ( -2.367 -5.043 -1.053) 5.670 13.176 ( -2.821 4.272 -1.292) 5.280 13.485 ( 2.069 -12.501 -2.867) 12.992 13.697 ( -1.315 1.766 -0.464) 2.251 13.767 ( -5.257 0.965 3.703) 6.502 14.884 ( 4.481 0.010 2.925) 5.351 15.009 ( 5.318 -4.969 4.073) 8.340 15.804 ( -4.369 7.700 -0.348) 8.860 16.082 ( 3.210 -5.904 -5.891) 8.937 16.570 ( 2.667 6.786 10.065) 12.429 16.723 ( 7.429 -3.379 10.876) 13.597 16.995 ( 3.649 20.789 -8.844) 22.885 17.453 ( -1.629 3.724 -2.275) 4.658 18.079 ( -9.046 -7.900 3.267) 12.446 18.215 ( -3.621 -11.757 -8.787) 15.118 21.848 ( -1.169 0.104 -1.624) 2.003 21.860 ( -1.479 -0.421 -2.184) 2.671 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 8.539 5.295 -4.961) 11.206 1.878 ( -1.211 -2.542 -3.759) 4.697 2.057 ( 3.900 -0.868 -2.004) 4.470 2.091 ( 3.629 -2.977 -5.119) 6.945 2.305 ( 5.339 4.715 3.840) 8.092 2.426 ( -1.637 0.632 1.741) 2.472 2.645 ( -1.193 -1.310 4.458) 4.797 2.703 ( -5.683 -1.044 0.962) 5.857 2.857 ( -0.201 3.150 -2.311) 3.912 2.986 ( -0.968 0.002 1.258) 1.587 3.280 ( 1.149 6.551 7.628) 10.121 3.594 ( -7.698 -9.701 3.307) 12.818 3.929 ( -4.067 3.876 -2.267) 6.059 4.153 ( 1.621 2.160 -4.101) 4.910 4.261 ( -1.557 -6.153 -1.276) 6.474 4.330 ( 0.797 -4.007 -8.253) 9.209 4.677 ( -3.103 -1.867 0.466) 3.651 4.831 ( -0.085 -4.498 1.472) 4.734 5.050 ( -10.172 4.854 5.569) 12.572 5.264 ( -4.764 -1.675 -1.893) 5.393 6.049 ( -2.241 2.601 0.716) 3.508 6.208 ( -0.998 -3.365 -3.630) 5.049 6.488 ( 0.313 1.432 4.371) 4.610 6.626 ( -2.190 -5.797 5.327) 8.171 6.818 ( 2.675 6.035 3.084) 7.286 7.043 ( -3.306 1.431 -1.487) 3.897 7.115 ( 1.594 -5.118 -3.201) 6.244 7.159 ( -1.699 -7.294 -1.544) 7.647 7.992 ( -1.802 2.515 -1.368) 3.383 8.058 ( -0.884 1.649 2.333) 2.990 8.176 ( -4.442 11.124 0.024) 11.978 8.328 ( 1.372 7.294 -0.840) 7.470 8.390 ( 3.322 2.616 -6.850) 8.050 8.741 ( 2.323 5.041 9.118) 10.675 8.843 ( -1.857 0.287 -4.443) 4.824 8.992 ( 4.974 -1.332 -0.312) 5.158 10.246 ( 6.227 3.790 1.734) 7.493 10.384 ( 4.641 9.843 -1.357) 10.967 10.492 ( 8.258 -6.287 0.172) 10.381 10.862 ( 4.231 -9.130 4.220) 10.912 11.226 ( -10.765 7.252 -2.242) 13.172 11.523 ( -11.172 -2.268 0.318) 11.404 11.785 ( 5.105 2.588 -0.556) 5.750 11.950 ( 2.439 -4.969 1.303) 5.686 13.112 ( -2.985 5.890 -0.118) 6.604 13.464 ( -0.301 -11.972 -3.703) 12.535 13.675 ( -2.347 1.364 2.506) 3.695 13.765 ( -0.261 -4.263 3.332) 5.417 15.010 ( 4.548 1.723 5.600) 7.417 15.120 ( 2.801 -3.178 3.780) 5.677 15.764 ( -1.500 7.246 2.749) 7.894 16.043 ( -2.199 -5.520 -2.144) 6.317 16.692 ( 3.754 14.450 3.451) 15.324 16.923 ( 9.151 2.871 -0.202) 9.593 17.062 ( 6.681 5.114 3.364) 9.061 17.365 ( -2.362 4.385 -7.479) 8.985 17.940 ( -11.577 -8.721 2.771) 14.757 18.084 ( -2.562 -12.075 -4.780) 13.237 21.802 ( -1.300 -0.178 -3.128) 3.392 21.810 ( -1.129 -0.335 -2.845) 3.079 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 6.250 0.389 -5.885) 8.593 1.761 ( -3.105 0.161 -6.487) 7.193 2.030 ( -2.280 0.251 -2.140) 3.137 2.101 ( 2.225 -2.369 -3.725) 4.944 2.315 ( -0.178 1.661 -5.071) 5.339 2.460 ( -7.871 -4.991 -2.303) 9.600 2.615 ( 5.191 3.302 6.868) 9.221 2.723 ( 0.719 0.514 5.884) 5.950 2.889 ( 3.879 2.456 -0.014) 4.591 3.005 ( -0.110 -1.638 1.427) 2.175 3.486 ( 5.012 6.608 15.548) 17.622 3.566 ( -1.960 -0.936 8.162) 8.446 3.875 ( -0.293 1.566 -1.331) 2.076 4.099 ( 0.517 1.665 -5.924) 6.175 4.168 ( -3.049 -5.971 -7.369) 9.962 4.309 ( 1.170 -8.920 -2.856) 9.439 4.628 ( -0.722 -0.744 -3.296) 3.455 4.803 ( -1.718 -5.110 -3.625) 6.497 4.983 ( -6.392 4.372 7.143) 10.535 5.200 ( -1.790 -2.253 -0.386) 2.904 6.001 ( -2.392 1.502 -1.444) 3.172 6.125 ( -2.840 -3.188 -4.510) 6.210 6.543 ( -1.073 0.985 5.972) 6.147 6.695 ( 1.113 -4.021 8.831) 9.767 6.846 ( -1.771 4.284 0.551) 4.668 7.025 ( 2.739 1.668 -1.642) 3.603 7.062 ( -0.313 -1.795 -3.781) 4.197 7.154 ( 0.591 -8.588 -2.022) 8.843 7.984 ( 0.862 5.610 0.709) 5.720 8.050 ( -3.448 3.611 2.741) 5.696 8.106 ( -2.775 10.308 -2.137) 10.887 8.259 ( -0.004 9.585 -8.615) 12.887 8.419 ( 2.082 -3.418 3.437) 5.276 8.745 ( -2.314 -5.551 -6.557) 8.898 8.877 ( 1.277 8.759 8.007) 11.935 9.063 ( 4.092 0.198 -0.988) 4.214 10.345 ( 2.412 2.597 2.923) 4.594 10.450 ( 3.880 5.126 0.607) 6.458 10.652 ( 9.818 0.176 1.317) 9.908 10.946 ( 0.262 -8.918 5.993) 10.748 11.032 ( -8.094 9.722 -4.977) 13.594 11.345 ( -8.486 -3.174 -3.042) 9.557 11.870 ( 5.378 2.136 0.190) 5.790 11.962 ( -2.442 -2.381 -0.200) 3.417 13.111 ( 1.654 4.468 2.389) 5.330 13.396 ( -1.709 -9.464 -5.429) 11.044 13.687 ( -1.740 0.626 5.384) 5.693 13.802 ( 0.429 -7.403 2.103) 7.708 15.110 ( 0.302 3.107 4.305) 5.318 15.196 ( 2.805 -3.214 2.750) 5.075 15.814 ( 1.485 5.104 5.288) 7.498 15.988 ( -3.108 -1.954 0.996) 3.804 16.784 ( 3.993 16.078 1.469) 16.632 17.021 ( 3.507 5.744 -1.259) 6.847 17.111 ( -4.817 2.100 -2.070) 5.648 17.278 ( 4.031 3.179 -7.630) 9.196 17.802 ( -12.373 -9.120 8.503) 17.566 18.059 ( 7.469 -13.739 -5.731) 16.655 21.751 ( -0.556 -0.173 -3.117) 3.171 21.763 ( -0.541 -0.587 -3.150) 3.249 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 4.355 2.585 -5.096) 7.184 1.754 ( 7.640 -1.337 -5.192) 9.334 1.957 ( -4.746 -0.175 1.291) 4.922 2.088 ( 0.128 -6.249 -3.754) 7.291 2.269 ( -1.874 -0.837 -1.815) 2.740 2.311 ( -0.329 -1.269 -4.134) 4.337 2.720 ( -3.898 4.206 4.963) 7.584 2.802 ( 0.213 0.870 4.869) 4.951 2.952 ( 3.896 -0.548 0.304) 3.946 3.024 ( 2.220 -2.923 -0.912) 3.782 3.637 ( -0.138 7.018 8.703) 11.181 3.666 ( -1.572 8.949 6.432) 11.132 3.887 ( -1.040 -3.006 -0.250) 3.191 4.046 ( -2.122 -4.030 -4.980) 6.749 4.140 ( 9.888 -2.574 3.477) 10.793 4.260 ( -0.827 -3.280 -7.865) 8.561 4.572 ( -3.397 -2.123 -1.616) 4.320 4.729 ( 1.939 -6.902 -6.166) 9.456 5.014 ( -0.024 3.700 7.410) 8.282 5.193 ( 2.290 -2.781 -2.069) 4.154 5.978 ( 0.388 -0.224 1.302) 1.377 6.045 ( -0.840 -3.158 -3.469) 4.766 6.602 ( -0.344 3.102 7.844) 8.442 6.802 ( -1.639 3.038 -2.206) 4.096 6.830 ( 2.764 -4.807 8.835) 10.431 6.995 ( -0.465 -3.293 -5.022) 6.023 7.079 ( 1.733 -0.104 -0.928) 1.968 7.122 ( 0.289 -3.945 -3.465) 5.259 8.011 ( -4.385 3.754 -0.054) 5.773 8.014 ( -0.201 6.125 1.848) 6.401 8.060 ( 0.756 10.564 0.585) 10.607 8.189 ( 0.738 7.781 -5.144) 9.356 8.520 ( 4.093 -5.341 5.020) 8.395 8.630 ( -2.421 -6.064 -6.780) 9.413 8.951 ( -0.554 8.602 4.569) 9.756 9.092 ( 1.824 2.058 -2.389) 3.642 10.375 ( -2.709 1.951 3.055) 4.525 10.487 ( 0.192 -1.443 -1.905) 2.398 10.774 ( -2.794 5.991 0.263) 6.616 10.868 ( -0.142 10.754 -3.056) 11.180 11.071 ( 5.797 -7.012 8.620) 12.533 11.213 ( -1.755 -5.363 -4.686) 7.335 11.879 ( -6.035 1.306 -0.302) 6.182 11.950 ( 3.177 -0.377 0.448) 3.231 13.202 ( 4.852 1.741 3.492) 6.226 13.305 ( -1.086 -5.203 -6.515) 8.408 13.721 ( -1.848 -0.801 5.221) 5.596 13.817 ( -0.478 -8.182 0.926) 8.249 15.136 ( -1.471 2.884 3.445) 4.728 15.254 ( 2.271 -4.081 -0.083) 4.672 15.897 ( 0.680 3.315 5.325) 6.310 15.972 ( -0.611 1.380 1.162) 1.905 16.767 ( -12.225 12.700 2.780) 17.846 16.944 ( -3.617 5.440 -1.152) 6.633 17.116 ( 5.763 7.198 -0.874) 9.262 17.230 ( -0.139 -0.705 -7.845) 7.878 17.733 ( -7.027 -4.807 7.060) 11.060 18.192 ( 15.462 -15.733 -5.685) 22.780 21.720 ( 0.179 -0.131 -2.028) 2.040 21.731 ( 0.630 -0.622 -2.452) 2.607 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 2.689 8.140 -7.792) 11.584 1.875 ( 11.507 0.395 -2.842) 11.859 1.923 ( -1.742 -1.621 3.007) 3.834 2.034 ( -1.280 -6.213 -0.978) 6.418 2.229 ( -1.050 0.377 -2.423) 2.667 2.377 ( 4.682 -6.058 7.306) 10.583 2.674 ( -3.817 4.204 0.409) 5.693 2.783 ( -3.035 0.008 -0.795) 3.138 3.005 ( -0.261 0.198 -5.665) 5.675 3.026 ( 3.514 -2.729 0.493) 4.476 3.604 ( -8.489 11.178 2.471) 14.252 3.744 ( -2.939 0.705 5.028) 5.866 3.839 ( 1.064 1.940 0.574) 2.286 4.008 ( 0.093 -2.077 0.664) 2.183 4.104 ( -1.119 0.309 -11.647) 11.705 4.391 ( 7.933 -11.104 0.435) 13.654 4.528 ( 3.579 2.210 2.913) 5.116 4.772 ( 6.512 -6.511 -1.016) 9.264 5.101 ( 1.003 3.703 5.269) 6.518 5.231 ( 5.607 -2.788 -2.212) 6.641 6.020 ( 1.593 -0.586 1.786) 2.464 6.054 ( 3.212 -3.299 1.756) 4.928 6.686 ( -0.810 3.523 4.246) 5.576 6.747 ( -2.073 1.807 1.342) 3.060 6.920 ( -1.747 -3.958 -4.962) 6.583 6.982 ( 5.069 -5.150 6.913) 10.000 7.042 ( 1.107 -0.016 -5.662) 5.769 7.130 ( 2.173 -2.899 -1.433) 3.896 7.928 ( -5.748 6.172 0.983) 8.491 8.028 ( -0.735 3.390 2.492) 4.271 8.110 ( 2.681 9.697 1.268) 10.141 8.172 ( 1.987 6.458 -1.805) 6.994 8.534 ( -0.300 -3.842 -5.690) 6.872 8.634 ( 2.586 -6.141 4.337) 7.950 8.964 ( -1.579 7.724 1.320) 7.993 9.074 ( 0.397 3.070 -3.890) 4.972 10.332 ( -6.075 1.717 2.151) 6.669 10.405 ( -5.530 -1.854 -3.814) 6.969 10.578 ( -11.149 6.197 -5.283) 13.807 10.943 ( -1.609 3.033 5.264) 6.284 11.160 ( 6.952 -4.735 -4.194) 9.399 11.346 ( 12.632 -2.388 7.448) 14.858 11.790 ( -3.925 2.142 0.018) 4.471 11.976 ( -0.583 -3.730 0.128) 3.778 13.235 ( 1.422 0.298 -6.064) 6.235 13.317 ( 4.258 -0.014 3.044) 5.235 13.720 ( -3.441 -2.482 2.087) 4.728 13.819 ( -0.511 -7.634 1.317) 7.764 15.139 ( -1.995 2.278 1.537) 3.396 15.272 ( 1.616 -4.481 -2.195) 5.245 15.918 ( -2.121 2.618 0.340) 3.386 15.988 ( 0.583 1.162 0.432) 1.370 16.566 ( -13.078 13.472 3.741) 19.145 16.902 ( -7.079 4.173 8.213) 11.618 17.115 ( -2.382 2.267 -5.411) 6.331 17.217 ( 5.015 -1.386 -2.213) 5.655 17.730 ( 0.503 4.449 2.708) 5.233 18.382 ( 15.459 -17.320 -7.038) 24.259 21.714 ( 0.882 0.117 -0.463) 1.003 21.732 ( 1.402 -0.449 -0.714) 1.636 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -2.830 13.833 -7.532) 16.003 1.900 ( 1.125 -1.730 -3.276) 3.871 1.940 ( -6.411 2.474 -0.131) 6.873 2.131 ( 11.153 -6.882 -1.121) 13.153 2.199 ( 0.195 1.237 1.276) 1.788 2.404 ( -8.122 -1.631 -0.131) 8.285 2.764 ( 12.777 -3.656 5.622) 14.430 2.773 ( 1.940 -2.335 -0.092) 3.037 2.900 ( -2.591 4.491 -4.700) 6.998 3.083 ( 3.620 -0.265 -1.973) 4.131 3.414 ( -12.163 13.569 -3.798) 18.615 3.717 ( -1.451 -6.828 1.309) 7.102 3.928 ( 3.215 1.858 3.581) 5.159 4.013 ( 1.949 3.837 -3.012) 5.253 4.089 ( 2.091 -1.441 7.792) 8.195 4.381 ( 0.772 -7.924 -5.232) 9.527 4.733 ( 10.145 -3.018 2.573) 10.893 4.862 ( 3.853 -4.905 1.357) 6.383 5.159 ( 1.141 4.624 3.812) 6.101 5.310 ( 6.156 -3.178 -2.165) 7.258 6.085 ( 2.991 0.514 2.791) 4.123 6.123 ( 1.688 -2.762 2.109) 3.863 6.606 ( -4.068 2.718 -5.024) 7.013 6.762 ( -3.640 -2.975 1.820) 5.041 6.850 ( -2.608 4.407 -0.941) 5.207 7.041 ( 3.669 -4.939 -2.375) 6.595 7.139 ( 6.324 -4.554 4.193) 8.850 7.163 ( 5.824 -3.087 -2.174) 6.940 7.854 ( -6.452 6.950 3.568) 10.133 8.044 ( -0.550 0.209 2.269) 2.344 8.152 ( 0.179 9.252 1.589) 9.389 8.211 ( 2.822 5.018 0.961) 5.837 8.488 ( 1.686 -1.054 -5.819) 6.149 8.689 ( -1.001 -3.935 3.674) 5.476 8.942 ( -0.768 6.148 -0.977) 6.272 9.030 ( 0.980 3.306 -5.956) 6.882 10.207 ( -8.681 0.562 -3.131) 9.246 10.286 ( -7.060 11.188 0.064) 13.230 10.356 ( -9.486 -6.757 -1.840) 11.791 10.842 ( -12.123 -8.460 -0.166) 14.784 11.336 ( 13.405 4.810 1.528) 14.324 11.623 ( 11.592 -2.849 4.013) 12.593 11.776 ( 2.835 -0.829 0.684) 3.032 11.941 ( -2.201 -5.418 -0.865) 5.912 13.221 ( 3.344 4.204 -4.070) 6.739 13.393 ( 1.567 -0.208 1.920) 2.487 13.671 ( -3.749 -2.327 0.674) 4.464 13.827 ( -0.213 -7.192 1.353) 7.321 15.090 ( -3.655 2.074 -2.578) 4.930 15.253 ( 0.377 -5.248 -4.810) 7.129 15.863 ( -2.196 2.907 -2.237) 4.275 15.963 ( -3.534 -1.527 -0.545) 3.888 16.496 ( -4.850 17.274 9.815) 20.451 16.879 ( -7.073 4.515 5.378) 9.967 17.069 ( 1.172 -0.603 3.369) 3.617 17.204 ( 0.223 -6.232 -8.053) 10.186 17.818 ( 5.064 10.370 4.400) 12.351 18.508 ( 11.175 -17.344 -9.703) 22.800 21.738 ( 1.356 0.348 1.487) 2.043 21.756 ( 1.279 -0.099 1.010) 1.633 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -1.079 17.861 -5.201) 18.634 1.769 ( -9.915 5.861 -2.875) 11.871 1.876 ( -3.188 -0.481 -1.330) 3.487 2.116 ( -0.486 0.089 -9.303) 9.316 2.222 ( 1.531 -9.025 -1.905) 9.350 2.405 ( 3.526 -4.029 1.643) 5.601 2.805 ( 1.823 -1.630 -0.709) 2.546 2.851 ( 3.198 8.643 2.097) 9.451 3.029 ( 4.163 6.195 -8.606) 11.391 3.104 ( 7.365 -3.654 6.607) 10.548 3.246 ( -2.993 6.709 -2.015) 7.617 3.708 ( -2.319 -12.245 1.171) 12.517 4.020 ( 2.304 1.883 6.894) 7.509 4.036 ( -0.236 3.922 3.132) 5.024 4.250 ( 5.372 1.108 7.513) 9.302 4.349 ( 1.534 -4.182 -2.535) 5.125 4.812 ( -1.521 -0.738 0.500) 1.763 4.943 ( 4.043 -6.561 0.268) 7.711 5.238 ( 3.079 3.247 3.314) 5.568 5.373 ( 5.573 -3.023 -2.408) 6.782 6.134 ( -1.272 -0.378 1.291) 1.851 6.160 ( 2.080 -1.188 0.562) 2.460 6.509 ( -1.605 3.470 -2.862) 4.776 6.689 ( -3.092 -3.961 -3.078) 5.893 6.790 ( -2.965 5.824 -2.302) 6.929 7.056 ( 0.115 -7.714 -0.931) 7.771 7.249 ( 5.083 -2.214 1.037) 5.640 7.295 ( 8.702 -3.196 0.951) 9.319 7.804 ( -6.195 6.898 6.083) 11.089 8.050 ( -3.550 -2.171 2.975) 5.115 8.141 ( -0.953 7.515 -0.753) 7.613 8.249 ( -0.482 1.650 0.727) 1.866 8.443 ( 1.526 0.251 -7.469) 7.627 8.691 ( -1.214 -3.702 -1.354) 4.125 8.925 ( 0.851 7.707 -1.060) 7.826 9.006 ( 3.662 5.482 -3.262) 7.356 10.020 ( -9.835 4.481 -2.773) 11.158 10.149 ( -5.990 5.493 -1.626) 8.288 10.281 ( -4.571 -8.428 4.825) 10.734 10.611 ( -14.210 -8.971 -0.792) 16.824 11.523 ( 6.698 3.074 -0.433) 7.383 11.712 ( 0.519 -2.696 -3.533) 4.475 11.903 ( 8.018 -2.797 3.900) 9.345 11.997 ( 10.255 -4.945 1.449) 11.477 13.230 ( 1.552 5.102 -2.425) 5.859 13.408 ( -1.011 -1.366 -0.021) 1.699 13.642 ( -1.132 1.256 2.790) 3.262 13.847 ( 0.472 -6.343 1.847) 6.623 14.972 ( -4.496 1.952 -6.073) 7.804 15.175 ( -1.035 -6.566 -8.155) 10.520 15.828 ( -0.914 2.207 0.730) 2.498 15.894 ( -3.951 -1.372 0.322) 4.194 16.553 ( -5.332 16.862 10.049) 20.341 16.801 ( -3.354 5.382 -0.574) 6.367 17.079 ( 0.965 -4.490 -12.686) 13.492 17.237 ( 6.531 -3.164 11.663) 13.736 17.948 ( 3.411 9.161 5.077) 11.015 18.530 ( 6.113 -15.147 -10.894) 19.633 21.784 ( 1.176 0.342 2.878) 3.128 21.792 ( 0.818 0.216 2.441) 2.583 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 3.054 19.784 -3.984) 20.411 1.579 ( -8.987 8.269 -1.603) 12.317 1.802 ( -4.513 -2.541 1.495) 5.390 2.032 ( 2.766 1.559 -11.320) 11.757 2.233 ( 1.484 -9.602 0.129) 9.717 2.432 ( 4.185 -7.817 -6.805) 11.177 2.809 ( 0.391 2.330 -1.282) 2.688 2.860 ( -1.151 5.593 -7.294) 9.263 3.065 ( 8.584 6.614 1.304) 10.914 3.165 ( -5.531 6.956 -0.518) 8.902 3.316 ( 7.547 -7.157 3.654) 11.024 3.672 ( -3.670 -8.634 1.862) 9.564 4.053 ( -3.279 1.272 6.250) 7.172 4.149 ( 1.940 -2.223 8.063) 8.586 4.322 ( 1.809 3.290 2.112) 4.308 4.466 ( 5.791 -1.644 6.788) 9.073 4.777 ( -1.159 3.272 -0.361) 3.490 4.946 ( -4.421 -1.538 0.137) 4.683 5.304 ( 3.350 -0.113 -0.095) 3.353 5.439 ( 3.448 -5.139 -1.281) 6.320 6.111 ( -1.822 0.248 0.602) 1.934 6.176 ( 0.828 -1.686 -1.163) 2.209 6.501 ( 1.818 2.757 0.427) 3.330 6.613 ( -2.440 -0.919 -2.792) 3.820 6.713 ( -2.412 5.955 -3.063) 7.118 7.022 ( -1.344 -6.806 -3.632) 7.830 7.330 ( 3.339 -0.783 1.596) 3.783 7.426 ( 5.451 -4.068 1.225) 6.911 7.788 ( -3.988 5.758 6.027) 9.240 7.963 ( -7.275 0.344 0.029) 7.283 8.151 ( 0.107 3.097 1.227) 3.333 8.220 ( 0.774 -1.138 -2.992) 3.294 8.362 ( -2.288 -0.452 -6.838) 7.225 8.590 ( -1.173 -4.339 -10.418) 11.346 8.993 ( 2.745 9.262 2.697) 10.030 9.055 ( 4.707 4.892 0.085) 6.789 9.868 ( -5.250 3.559 -0.798) 6.392 10.069 ( -3.773 -0.266 -0.169) 3.786 10.281 ( -2.264 -4.404 5.414) 7.337 10.429 ( -7.584 -7.894 1.494) 11.048 11.538 ( 0.492 0.362 -4.747) 4.787 11.654 ( -1.763 -2.885 -3.584) 4.927 12.110 ( 8.803 -2.402 5.035) 10.422 12.176 ( 8.608 -4.596 1.323) 9.847 13.221 ( 0.793 4.623 -1.429) 4.904 13.359 ( -3.441 -2.568 -1.820) 4.664 13.707 ( 2.519 4.298 5.716) 7.582 13.873 ( -0.633 -4.464 2.570) 5.190 14.839 ( -2.934 1.229 -6.356) 7.107 15.060 ( -0.286 -7.609 -10.192) 12.723 15.843 ( -0.345 0.511 3.289) 3.347 15.860 ( -0.969 -0.051 1.271) 1.599 16.484 ( -8.849 10.628 1.459) 13.907 16.726 ( -6.503 -0.041 -3.448) 7.361 17.063 ( 9.109 8.648 -2.779) 12.864 17.459 ( 5.658 -1.400 6.898) 9.031 18.015 ( -1.170 5.717 4.567) 7.411 18.502 ( 5.078 -13.130 -9.257) 16.849 21.831 ( 0.502 0.515 3.068) 3.151 21.835 ( 0.537 -0.083 3.369) 3.412 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -1.838 -4.327 -4.635) 6.602 1.589 ( -1.838 4.327 -4.635) 6.602 1.888 ( 3.124 -9.009 -3.145) 10.040 1.888 ( 3.124 9.009 -3.145) 10.040 2.246 ( 5.297 -6.005 -5.716) 9.838 2.246 ( 5.297 6.005 -5.716) 9.838 2.814 ( -3.276 -2.906 -2.752) 5.172 2.814 ( -3.276 2.906 -2.752) 5.172 3.060 ( -1.625 -2.312 -4.755) 5.532 3.060 ( -1.625 2.312 -4.755) 5.532 3.604 ( 0.902 -2.257 6.975) 7.386 3.604 ( 0.902 2.257 6.975) 7.386 4.083 ( -2.428 -5.120 5.456) 7.866 4.083 ( -2.428 5.120 5.456) 7.866 4.526 ( 2.206 -4.331 4.512) 6.632 4.526 ( 2.206 4.331 4.512) 6.632 4.887 ( -2.296 -1.805 2.264) 3.696 4.887 ( -2.296 1.805 2.264) 3.696 5.336 ( 1.272 -1.567 -1.923) 2.788 5.336 ( 1.272 1.567 -1.923) 2.788 6.130 ( -0.034 -2.625 -0.047) 2.625 6.130 ( -0.034 2.625 -0.047) 2.625 6.562 ( 0.010 -0.716 0.368) 0.805 6.562 ( 0.010 0.716 0.368) 0.805 6.821 ( -1.403 -6.963 -2.770) 7.624 6.821 ( -1.403 6.963 -2.770) 7.624 7.398 ( 0.481 -2.809 0.185) 2.856 7.398 ( 0.481 2.809 0.185) 2.856 7.861 ( -2.180 -2.120 1.774) 3.520 7.861 ( -2.180 2.120 1.774) 3.520 8.215 ( 3.235 -2.843 0.532) 4.340 8.215 ( 3.235 2.843 0.532) 4.340 8.331 ( -0.724 -7.794 -8.571) 11.608 8.331 ( -0.724 7.794 -8.571) 11.608 9.108 ( -0.978 -2.422 -0.766) 2.722 9.108 ( -0.978 2.422 -0.766) 2.722 9.949 ( 1.699 -4.216 0.827) 4.620 9.949 ( 1.699 4.216 0.827) 4.620 10.322 ( 0.539 -0.478 3.415) 3.490 10.322 ( 0.539 0.478 3.415) 3.490 11.508 ( -1.593 -2.239 -4.016) 4.866 11.508 ( -1.593 2.239 -4.016) 4.866 12.218 ( -0.078 -1.540 3.448) 3.777 12.218 ( -0.078 1.540 3.448) 3.777 13.269 ( 1.722 -0.404 -3.675) 4.078 13.269 ( 1.722 0.404 -3.675) 4.078 13.852 ( -2.010 -1.769 6.913) 7.414 13.852 ( -2.010 1.769 6.913) 7.414 14.812 ( 0.965 -5.220 -8.497) 10.019 14.812 ( 0.965 5.220 -8.497) 10.019 15.889 ( 1.685 -0.191 2.574) 3.082 15.889 ( 1.685 0.191 2.574) 3.082 16.491 ( -6.504 -4.413 -2.959) 8.398 16.491 ( -6.504 4.413 -2.959) 8.398 17.484 ( 3.138 -9.532 7.305) 12.412 17.484 ( 3.138 9.532 7.305) 12.412 18.195 ( 1.509 -13.044 -5.691) 14.312 18.195 ( 1.509 13.044 -5.691) 14.312 21.871 ( 0.024 -0.238 2.605) 2.616 21.871 ( 0.024 0.238 2.605) 2.616 ======================= Grid point 244 (131/170) ======================= q-point: ( 0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 4.671 -1.810 -2.080) 5.424 1.577 ( 4.671 1.810 -2.080) 5.424 1.913 ( 4.327 -5.826 -2.402) 7.645 1.913 ( 4.327 5.826 -2.402) 7.645 2.258 ( 4.517 -5.660 -7.475) 10.407 2.258 ( 4.517 5.660 -7.475) 10.407 2.756 ( -3.473 -3.340 1.330) 4.999 2.756 ( -3.473 3.340 1.330) 4.999 2.976 ( -3.606 -9.693 -0.530) 10.355 2.976 ( -3.606 9.693 -0.530) 10.355 3.630 ( -3.526 -3.756 3.268) 6.101 3.630 ( -3.526 3.756 3.268) 6.101 4.148 ( 2.178 -4.334 4.081) 6.339 4.148 ( 2.178 4.334 4.081) 6.339 4.529 ( -4.541 -2.064 0.116) 4.990 4.529 ( -4.541 2.064 0.116) 4.990 4.843 ( -5.470 -4.177 1.015) 6.957 4.843 ( -5.470 4.177 1.015) 6.957 5.372 ( 4.116 -4.537 -0.314) 6.134 5.372 ( 4.116 4.537 -0.314) 6.134 6.121 ( -1.311 -2.989 0.171) 3.269 6.121 ( -1.311 2.989 0.171) 3.269 6.568 ( -0.310 -2.990 1.109) 3.204 6.568 ( -0.310 2.990 1.109) 3.204 6.770 ( -1.387 -2.405 -1.215) 3.031 6.770 ( -1.387 2.405 -1.215) 3.031 7.375 ( -3.118 -1.842 -0.433) 3.648 7.375 ( -3.118 1.842 -0.433) 3.648 7.904 ( 4.401 -0.658 3.300) 5.540 7.904 ( 4.401 0.658 3.300) 5.540 8.206 ( -2.285 -6.381 -3.651) 7.698 8.206 ( -2.285 6.381 -3.651) 7.698 8.335 ( 8.221 -1.667 -2.603) 8.783 8.335 ( 8.221 1.667 -2.603) 8.783 9.088 ( -1.151 -2.191 0.429) 2.512 9.088 ( -1.151 2.191 0.429) 2.512 10.003 ( 4.832 -2.234 -0.883) 5.396 10.003 ( 4.832 2.234 -0.883) 5.396 10.378 ( 3.146 -1.587 0.673) 3.587 10.378 ( 3.146 1.587 0.673) 3.587 11.471 ( 0.488 -1.324 -0.360) 1.456 11.471 ( 0.488 1.324 -0.360) 1.456 12.166 ( -9.291 -2.486 1.492) 9.733 12.166 ( -9.291 2.486 1.492) 9.733 13.272 ( 2.961 -3.412 -3.060) 5.456 13.272 ( 2.961 3.412 -3.060) 5.456 13.868 ( -4.437 -2.876 5.276) 7.470 13.868 ( -4.437 2.876 5.276) 7.470 14.768 ( 3.294 -3.204 -5.422) 7.107 14.768 ( 3.294 3.204 -5.422) 7.107 15.953 ( 4.026 -1.643 -0.227) 4.354 15.953 ( 4.026 1.643 -0.227) 4.354 16.406 ( -3.569 -2.595 3.301) 5.511 16.406 ( -3.569 2.595 3.301) 5.511 17.540 ( -2.402 -4.796 2.117) 5.767 17.540 ( -2.402 4.796 2.117) 5.767 18.161 ( 1.089 -10.790 -4.452) 11.723 18.161 ( 1.089 10.790 -4.452) 11.723 21.890 ( -0.499 -0.475 1.387) 1.549 21.890 ( -0.499 0.475 1.387) 1.549 ======================= Grid point 246 (132/170) ======================= q-point: ( 0.18 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 5.296 -4.916 1.283) 7.338 1.661 ( 5.296 4.916 1.283) 7.338 1.965 ( 5.701 -1.372 -5.094) 7.767 1.965 ( 5.701 1.372 -5.094) 7.767 2.242 ( 3.933 -3.618 -5.228) 7.476 2.242 ( 3.933 3.618 -5.228) 7.476 2.736 ( -3.805 -2.088 6.409) 7.740 2.736 ( -3.805 2.088 6.409) 7.740 2.944 ( -1.889 -12.107 1.139) 12.306 2.944 ( -1.889 12.107 1.139) 12.306 3.586 ( -3.202 -6.503 -1.728) 7.452 3.586 ( -3.202 6.503 -1.728) 7.452 4.171 ( -3.901 -3.951 1.145) 5.669 4.171 ( -3.901 3.951 1.145) 5.669 4.464 ( -2.017 -4.622 0.608) 5.080 4.464 ( -2.017 4.622 0.608) 5.080 4.733 ( -6.870 -4.187 -1.273) 8.145 4.733 ( -6.870 4.187 -1.273) 8.145 5.402 ( -1.508 -6.635 -0.604) 6.831 5.402 ( -1.508 6.635 -0.604) 6.831 6.105 ( -1.184 -3.033 1.752) 3.697 6.105 ( -1.184 3.033 1.752) 3.697 6.563 ( -1.029 -4.205 -0.663) 4.379 6.563 ( -1.029 4.205 -0.663) 4.379 6.782 ( 2.263 -5.852 2.568) 6.779 6.782 ( 2.263 5.852 2.568) 6.779 7.296 ( -5.102 -1.911 -1.452) 5.639 7.296 ( -5.102 1.911 -1.452) 5.639 8.054 ( 4.453 -1.471 5.983) 7.602 8.054 ( 4.453 1.471 5.983) 7.602 8.143 ( 2.271 -5.621 -3.394) 6.948 8.143 ( 2.271 5.621 -3.394) 6.948 8.446 ( 7.882 -6.049 -2.092) 10.153 8.446 ( 7.882 6.049 -2.092) 10.153 9.059 ( -3.668 -1.756 0.268) 4.076 9.059 ( -3.668 1.756 0.268) 4.076 10.096 ( 8.437 -5.357 -1.387) 10.090 10.096 ( 8.437 5.357 -1.387) 10.090 10.434 ( 4.914 -4.599 -1.661) 6.932 10.434 ( 4.914 4.599 -1.661) 6.932 11.513 ( 1.633 -4.770 3.648) 6.223 11.513 ( 1.633 4.770 3.648) 6.223 11.985 ( -12.295 -3.261 -0.670) 12.738 11.985 ( -12.295 3.261 -0.670) 12.738 13.284 ( 1.656 -5.638 -2.119) 6.247 13.284 ( 1.656 5.638 -2.119) 6.247 13.826 ( -5.537 -3.177 2.165) 6.741 13.826 ( -5.537 3.177 2.165) 6.741 14.805 ( 5.109 -1.928 -0.246) 5.466 14.805 ( 5.109 1.928 -0.246) 5.466 15.986 ( 2.420 -4.337 -3.878) 6.301 15.986 ( 2.420 4.337 -3.878) 6.301 16.467 ( 1.761 -2.111 10.250) 10.612 16.467 ( 1.761 2.111 10.250) 10.612 17.477 ( -2.787 -9.232 -4.343) 10.576 17.477 ( -2.787 9.232 -4.343) 10.576 18.117 ( -2.629 -6.764 -2.242) 7.595 18.117 ( -2.629 6.764 -2.242) 7.595 21.884 ( -1.034 -0.523 -0.229) 1.181 21.884 ( -1.034 0.523 -0.229) 1.181 ======================= Grid point 248 (133/170) ======================= q-point: ( 0.27 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 3.998 -8.458 0.344) 9.362 1.752 ( 3.998 8.458 0.344) 9.362 1.986 ( 6.055 -1.795 -5.442) 8.337 1.986 ( 6.055 1.795 -5.442) 8.337 2.294 ( 4.877 -2.320 0.368) 5.413 2.294 ( 4.877 2.320 0.368) 5.413 2.749 ( -6.204 -2.146 7.159) 9.713 2.749 ( -6.204 2.146 7.159) 9.713 2.927 ( 0.581 -6.393 -0.701) 6.458 2.927 ( 0.581 6.393 -0.701) 6.458 3.483 ( -5.749 -9.170 -2.713) 11.158 3.483 ( -5.749 9.170 -2.713) 11.158 4.100 ( -4.379 -2.758 0.698) 5.222 4.100 ( -4.379 2.758 0.698) 5.222 4.402 ( -3.420 -3.411 -6.844) 8.377 4.402 ( -3.420 3.411 -6.844) 8.377 4.683 ( -1.155 -2.644 4.931) 5.714 4.683 ( -1.155 2.644 4.931) 5.714 5.307 ( -7.862 -6.301 -1.063) 10.131 5.307 ( -7.862 6.301 -1.063) 10.131 6.126 ( 0.295 -3.989 2.174) 4.553 6.126 ( 0.295 3.989 2.174) 4.553 6.531 ( -2.043 -3.208 0.406) 3.825 6.531 ( -2.043 3.208 0.406) 3.825 6.871 ( 4.009 -7.526 2.930) 9.016 6.871 ( 4.009 7.526 2.930) 9.016 7.188 ( -5.088 -2.591 -2.810) 6.364 7.188 ( -5.088 2.591 -2.810) 6.364 8.053 ( -1.709 -1.057 -0.590) 2.094 8.053 ( -1.709 1.057 -0.590) 2.094 8.287 ( 5.785 -1.578 5.229) 7.956 8.287 ( 5.785 1.578 5.229) 7.956 8.537 ( 7.728 -10.103 -3.751) 13.261 8.537 ( 7.728 10.103 -3.751) 13.261 8.978 ( -5.218 -2.170 -0.320) 5.660 8.978 ( -5.218 2.170 -0.320) 5.660 10.224 ( 8.410 -5.731 -1.286) 10.258 10.224 ( 8.410 5.731 -1.286) 10.258 10.518 ( 6.889 -9.374 -0.070) 11.634 10.518 ( 6.889 9.374 -0.070) 11.634 11.544 ( -5.140 -7.849 3.082) 9.876 11.544 ( -5.140 7.849 3.082) 9.876 11.828 ( -3.279 -4.484 -0.877) 5.624 11.828 ( -3.279 4.484 -0.877) 5.624 13.275 ( -0.662 -6.792 -1.039) 6.902 13.275 ( -0.662 6.792 -1.039) 6.902 13.754 ( -4.562 -2.403 0.674) 5.200 13.754 ( -4.562 2.403 0.674) 5.200 14.918 ( 5.886 -3.289 3.925) 7.801 14.918 ( 5.886 3.289 3.925) 7.801 15.957 ( -0.783 -6.576 -2.935) 7.243 15.957 ( -0.783 6.576 -2.935) 7.243 16.655 ( 6.114 -2.952 10.874) 12.820 16.655 ( 6.114 2.952 10.874) 12.820 17.387 ( 0.927 -12.478 -8.490) 15.121 17.387 ( 0.927 12.478 -8.490) 15.121 18.018 ( -7.687 -4.151 -0.760) 8.769 18.018 ( -7.687 4.151 -0.760) 8.769 21.852 ( -1.421 -0.303 -1.822) 2.330 21.852 ( -1.421 0.303 -1.822) 2.330 ======================= Grid point 250 (134/170) ======================= q-point: ( 0.36 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.406 -6.568 -3.720) 7.678 1.776 ( 1.406 6.568 -3.720) 7.678 2.045 ( 5.843 -0.858 -4.281) 7.294 2.045 ( 5.843 0.858 -4.281) 7.294 2.398 ( 3.721 -3.419 4.605) 6.837 2.398 ( 3.721 3.419 4.605) 6.837 2.652 ( -7.050 -2.341 -0.870) 7.480 2.652 ( -7.050 2.341 -0.870) 7.480 2.954 ( 0.843 -4.114 0.481) 4.227 2.954 ( 0.843 4.114 0.481) 4.227 3.419 ( -2.458 -7.103 7.210) 10.415 3.419 ( -2.458 7.103 7.210) 10.415 4.051 ( -2.491 -7.574 -0.378) 7.982 4.051 ( -2.491 7.574 -0.378) 7.982 4.263 ( -1.899 -3.277 -8.943) 9.712 4.263 ( -1.899 3.277 -8.943) 9.712 4.717 ( -0.727 -5.120 1.444) 5.369 4.717 ( -0.727 5.120 1.444) 5.369 5.177 ( -7.834 -6.117 1.813) 10.104 5.177 ( -7.834 6.117 1.813) 10.104 6.125 ( -1.564 -4.215 -1.493) 4.737 6.125 ( -1.564 4.215 -1.493) 4.737 6.533 ( -1.046 -3.166 5.166) 6.149 6.533 ( -1.046 3.166 5.166) 6.149 6.954 ( 2.678 -7.328 1.691) 7.983 6.954 ( 2.678 7.328 1.691) 7.983 7.086 ( -2.656 -2.324 -3.613) 5.050 7.086 ( -2.656 2.324 -3.613) 5.050 8.040 ( -0.188 -2.318 1.101) 2.573 8.040 ( -0.188 2.318 1.101) 2.573 8.344 ( -1.575 -3.660 -0.045) 3.985 8.344 ( -1.575 3.660 -0.045) 3.985 8.590 ( 3.810 -12.657 -6.255) 14.623 8.590 ( 3.810 12.657 -6.255) 14.623 8.945 ( 0.085 -4.861 3.809) 6.176 8.945 ( 0.085 4.861 3.809) 6.176 10.336 ( 6.794 -5.664 -0.192) 8.847 10.336 ( 6.794 5.664 -0.192) 8.847 10.635 ( 5.563 -11.620 2.338) 13.093 10.635 ( 5.563 11.620 2.338) 13.093 11.415 ( -9.601 -8.149 -1.565) 12.690 11.415 ( -9.601 8.149 -1.565) 12.690 11.856 ( 3.900 -4.002 0.753) 5.638 11.856 ( 3.900 4.002 0.753) 5.638 13.244 ( -1.809 -8.028 -0.498) 8.245 13.244 ( -1.809 8.028 -0.498) 8.245 13.710 ( -2.401 -2.118 1.706) 3.627 13.710 ( -2.401 2.118 1.706) 3.627 15.056 ( 4.614 -2.810 4.892) 7.288 15.056 ( 4.614 2.810 4.892) 7.288 15.917 ( -1.764 -6.756 0.276) 6.988 15.917 ( -1.764 6.756 0.276) 6.988 16.865 ( 6.561 -4.760 7.573) 11.093 16.865 ( 6.561 4.760 7.573) 11.093 17.330 ( 3.803 -10.781 -9.463) 14.840 17.330 ( 3.803 10.781 -9.463) 14.840 17.870 ( -9.414 -4.966 0.410) 10.652 17.870 ( -9.414 4.966 0.410) 10.652 21.803 ( -1.351 -0.260 -2.920) 3.228 21.803 ( -1.351 0.260 -2.920) 3.228 ======================= Grid point 252 (135/170) ======================= q-point: ( 0.45 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.933 -2.058 -5.695) 6.127 1.734 ( 0.933 2.058 -5.695) 6.127 2.046 ( 0.176 -1.878 -4.191) 4.596 2.046 ( 0.176 1.878 -4.191) 4.596 2.371 ( -4.386 -3.581 -4.946) 7.518 2.371 ( -4.386 3.581 -4.946) 7.518 2.690 ( 3.956 -3.170 8.246) 9.680 2.690 ( 3.956 3.170 8.246) 9.680 2.946 ( 0.182 -3.363 -1.500) 3.687 2.946 ( 0.182 3.363 -1.500) 3.687 3.572 ( 3.686 -0.757 15.703) 16.147 3.572 ( 3.686 0.757 15.703) 16.147 3.995 ( -3.115 -9.315 -2.144) 10.054 3.995 ( -3.115 9.315 -2.144) 10.054 4.162 ( 1.584 -4.234 -7.956) 9.151 4.162 ( 1.584 4.234 -7.956) 9.151 4.681 ( -1.803 -5.289 -3.911) 6.820 4.681 ( -1.803 5.289 -3.911) 6.820 5.105 ( -4.509 -6.180 3.353) 8.352 5.105 ( -4.509 6.180 3.353) 8.352 6.055 ( -2.640 -3.269 -3.618) 5.545 6.055 ( -2.640 3.269 -3.618) 5.545 6.601 ( 0.233 -4.244 7.905) 8.975 6.601 ( 0.233 4.244 7.905) 8.975 6.957 ( -2.466 -6.328 -1.311) 6.917 6.957 ( -2.466 6.328 -1.311) 6.917 7.062 ( 3.151 -1.538 -2.033) 4.053 7.062 ( 3.151 1.538 -2.033) 4.053 8.060 ( -0.212 -2.029 2.111) 2.936 8.060 ( -0.212 2.029 2.111) 2.936 8.291 ( -1.597 -6.359 -2.365) 6.970 8.291 ( -1.597 6.359 -2.365) 6.970 8.533 ( -0.698 -12.567 -6.337) 14.091 8.533 ( -0.698 12.567 -6.337) 14.091 9.025 ( 2.386 -4.549 4.155) 6.607 9.025 ( 2.386 4.549 4.155) 6.607 10.426 ( 3.504 -4.653 0.220) 5.830 10.426 ( 3.504 4.653 0.220) 5.830 10.757 ( 5.143 -8.583 5.539) 11.437 10.757 ( 5.143 8.583 5.539) 11.437 11.236 ( -7.862 -7.841 -5.137) 12.234 11.236 ( -7.862 7.841 -5.137) 12.234 11.915 ( 1.774 -2.129 0.687) 2.855 11.915 ( 1.774 2.129 0.687) 2.855 13.220 ( -0.057 -6.691 -0.572) 6.716 13.220 ( -0.057 6.691 -0.572) 6.716 13.708 ( -1.459 -2.205 2.912) 3.933 13.708 ( -1.459 2.205 2.912) 3.933 15.153 ( 1.774 -1.458 3.089) 3.849 15.153 ( 1.774 1.458 3.089) 3.849 15.920 ( -0.348 -4.489 3.400) 5.642 15.920 ( -0.348 4.489 3.400) 5.642 17.003 ( 1.533 -5.040 4.525) 6.944 17.003 ( 1.533 5.040 4.525) 6.944 17.272 ( -0.028 -7.683 -8.032) 11.115 17.272 ( -0.028 7.683 -8.032) 11.115 17.777 ( -1.009 -9.599 0.361) 9.658 17.777 ( -1.009 9.599 0.361) 9.658 21.752 ( -0.635 -0.339 -3.092) 3.175 21.752 ( -0.635 0.339 -3.092) 3.175 ======================= Grid point 254 (136/170) ======================= q-point: (-0.45 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.247 -0.946 -4.964) 8.835 1.732 ( 7.247 0.946 -4.964) 8.835 1.980 ( -3.634 -3.071 -1.435) 4.970 1.980 ( -3.634 3.071 -1.435) 4.970 2.281 ( -0.566 -1.440 -3.580) 3.901 2.281 ( -0.566 1.440 -3.580) 3.901 2.781 ( -3.015 -2.195 5.382) 6.548 2.781 ( -3.015 2.195 5.382) 6.548 2.969 ( 3.866 -2.070 -1.221) 4.552 2.969 ( 3.866 2.070 -1.221) 4.552 3.764 ( -1.424 -3.845 10.215) 11.008 3.764 ( -1.424 3.845 10.215) 11.008 3.925 ( -1.305 -7.559 -0.639) 7.697 3.925 ( -1.305 7.559 -0.639) 7.697 4.166 ( 6.170 -4.818 -4.286) 8.925 4.166 ( 6.170 4.818 -4.286) 8.925 4.592 ( -0.855 -4.610 -5.545) 7.262 4.592 ( -0.855 4.610 -5.545) 7.262 5.109 ( 0.654 -4.843 2.796) 5.630 5.109 ( 0.654 4.843 2.796) 5.630 5.995 ( -0.344 -1.664 -1.686) 2.393 5.995 ( -0.344 1.664 -1.686) 2.393 6.703 ( 1.235 -6.152 8.410) 10.493 6.703 ( 1.235 6.152 8.410) 10.493 6.890 ( -2.571 -5.291 -3.001) 6.604 6.890 ( -2.571 5.291 -3.001) 6.604 7.087 ( 2.320 -0.572 -2.435) 3.411 7.087 ( 2.320 0.572 -2.435) 3.411 8.057 ( -2.841 -0.818 1.748) 3.434 8.057 ( -2.841 0.818 1.748) 3.434 8.273 ( 1.674 -6.386 -1.903) 6.870 8.273 ( 1.674 6.386 -1.903) 6.870 8.471 ( 0.395 -6.234 -3.131) 6.987 8.471 ( 0.395 6.234 -3.131) 6.987 9.081 ( 0.541 -3.470 1.621) 3.868 9.081 ( 0.541 3.470 1.621) 3.868 10.434 ( -2.474 -3.181 -0.300) 4.040 10.434 ( -2.474 3.181 -0.300) 4.041 10.907 ( 0.991 -7.467 6.099) 9.693 10.907 ( 0.991 7.467 6.099) 9.693 11.082 ( 0.385 -8.196 -5.266) 9.750 11.082 ( 0.385 8.196 -5.266) 9.750 11.919 ( -1.945 -2.232 0.516) 3.005 11.919 ( -1.945 2.232 0.516) 3.005 13.235 ( 3.004 -1.907 -1.248) 3.771 13.235 ( 3.004 1.907 -1.248) 3.771 13.715 ( -1.964 -1.413 3.053) 3.896 13.715 ( -1.964 1.413 3.053) 3.896 15.189 ( 0.138 -2.408 1.371) 2.774 15.189 ( 0.138 2.408 1.371) 2.774 15.962 ( 0.305 -2.238 3.159) 3.884 15.962 ( 0.305 2.238 3.159) 3.884 16.976 ( -11.478 -4.273 5.269) 13.332 16.976 ( -11.478 4.273 5.269) 13.332 17.193 ( 1.275 -3.184 -5.943) 6.861 17.193 ( 1.275 3.184 -5.943) 6.861 17.847 ( 9.368 -14.808 -1.883) 17.623 17.847 ( 9.368 14.808 -1.883) 17.623 21.721 ( 0.455 -0.289 -2.197) 2.263 21.721 ( 0.455 0.289 -2.197) 2.263 ======================= Grid point 256 (137/170) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 12.335 -4.004 -6.158) 14.356 1.848 ( 12.335 4.004 -6.158) 14.356 1.922 ( -3.064 -3.038 1.142) 4.463 1.922 ( -3.064 3.038 1.142) 4.463 2.272 ( -0.003 -3.652 3.119) 4.803 2.272 ( -0.003 3.652 3.119) 4.803 2.751 ( -3.797 -3.116 0.941) 5.001 2.751 ( -3.797 3.116 0.941) 5.001 2.990 ( 1.841 -0.627 -3.108) 3.666 2.990 ( 1.841 0.627 -3.108) 3.666 3.741 ( -7.591 -2.452 3.057) 8.543 3.741 ( -7.591 2.452 3.057) 8.543 3.960 ( 1.396 -5.336 3.456) 6.509 3.960 ( 1.396 5.336 3.456) 6.509 4.170 ( 3.590 -7.764 -9.193) 12.557 4.170 ( 3.590 7.764 -9.193) 12.557 4.621 ( 6.693 -6.672 1.555) 9.578 4.621 ( 6.693 6.672 1.555) 9.578 5.170 ( 3.314 -3.000 1.859) 4.841 5.170 ( 3.313 3.000 1.859) 4.841 6.017 ( 2.523 -0.527 1.938) 3.225 6.017 ( 2.523 0.527 1.938) 3.225 6.776 ( -4.077 -2.927 1.635) 5.279 6.776 ( -4.077 2.927 1.635) 5.279 6.854 ( 3.475 -2.684 2.224) 4.922 6.854 ( 3.475 2.684 2.224) 4.922 7.083 ( 1.931 -2.203 -3.701) 4.720 7.083 ( 1.931 2.203 -3.701) 4.720 8.022 ( -3.900 -2.979 2.228) 5.389 8.022 ( -3.900 2.979 2.228) 5.389 8.275 ( 1.149 -2.367 -1.735) 3.152 8.275 ( 1.149 2.367 -1.735) 3.152 8.491 ( 3.416 -4.228 0.073) 5.436 8.491 ( 3.416 4.228 0.073) 5.436 9.078 ( -1.241 -2.821 -0.852) 3.198 9.078 ( -1.241 2.821 -0.852) 3.198 10.349 ( -7.005 -1.647 -0.559) 7.218 10.349 ( -7.005 1.647 -0.559) 7.218 10.804 ( -8.877 -11.990 -3.761) 15.386 10.804 ( -8.877 11.990 -3.761) 15.386 11.238 ( 12.206 -7.280 4.811) 15.004 11.238 ( 12.206 7.280 4.811) 15.004 11.875 ( -3.492 -5.256 0.019) 6.311 11.875 ( -3.492 5.256 0.019) 6.311 13.281 ( 4.720 -3.077 -2.193) 6.046 13.281 ( 4.720 3.077 -2.193) 6.046 13.708 ( -2.698 -2.309 2.779) 4.509 13.708 ( -2.698 2.309 2.779) 4.509 15.193 ( -0.541 -3.032 -0.253) 3.091 15.193 ( -0.541 3.032 -0.253) 3.091 15.974 ( -1.334 -2.158 -0.114) 2.540 15.974 ( -1.334 2.158 -0.114) 2.540 16.842 ( -12.341 -10.446 9.584) 18.796 16.842 ( -12.341 10.446 9.584) 18.796 17.153 ( 0.471 -3.952 -5.791) 7.026 17.153 ( 0.471 3.952 -5.791) 7.026 17.995 ( 11.868 -18.065 -3.588) 21.910 17.995 ( 11.868 18.065 -3.588) 21.910 21.721 ( 1.313 -0.497 -0.546) 1.507 21.721 ( 1.313 0.497 -0.546) 1.507 ======================= Grid point 258 (138/170) ======================= q-point: (-0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -2.610 -8.274 -2.382) 8.997 1.861 ( -2.610 8.274 -2.382) 8.997 1.951 ( 7.060 -7.360 -6.667) 12.185 1.951 ( 7.060 7.360 -6.667) 12.185 2.320 ( -3.082 -6.345 5.346) 8.851 2.320 ( -3.082 6.345 5.346) 8.851 2.732 ( 3.831 -0.915 -0.556) 3.978 2.732 ( 3.831 0.915 -0.556) 3.978 3.005 ( 3.454 -5.660 -0.429) 6.644 3.005 ( 3.454 5.660 -0.429) 6.645 3.609 ( -8.254 -5.124 -3.013) 10.171 3.609 ( -8.254 5.124 -3.013) 10.171 4.013 ( -0.110 -4.291 4.550) 6.255 4.013 ( -0.110 4.291 4.550) 6.255 4.179 ( 6.565 -9.477 -2.701) 11.841 4.179 ( 6.565 9.477 -2.701) 11.841 4.753 ( 5.969 -4.313 1.450) 7.505 4.753 ( 5.969 4.313 1.450) 7.505 5.244 ( 3.436 -3.450 1.498) 5.095 5.244 ( 3.436 3.450 1.498) 5.095 6.091 ( 2.479 -0.517 2.860) 3.820 6.091 ( 2.479 0.517 2.860) 3.820 6.684 ( -4.175 -4.303 -3.352) 6.869 6.684 ( -4.175 4.303 -3.352) 6.869 6.934 ( 0.005 -4.630 2.127) 5.096 6.934 ( 0.005 4.630 2.127) 5.096 7.114 ( 6.923 -1.740 -1.438) 7.282 7.114 ( 6.923 1.740 -1.438) 7.282 7.983 ( -4.220 -5.177 2.832) 7.254 7.983 ( -4.220 5.177 2.832) 7.254 8.278 ( -0.306 -0.821 0.335) 0.938 8.278 ( -0.306 0.821 0.335) 0.938 8.546 ( 3.031 -7.420 -0.770) 8.052 8.546 ( 3.031 7.420 -0.770) 8.052 9.038 ( -0.822 -2.528 -2.124) 3.403 9.038 ( -0.822 2.528 -2.124) 3.403 10.216 ( -8.299 -2.301 -0.477) 8.625 10.216 ( -8.299 2.301 -0.477) 8.625 10.604 ( -10.933 -13.688 -3.439) 17.852 10.604 ( -10.933 13.688 -3.439) 17.852 11.490 ( 11.403 -8.348 4.542) 14.844 11.490 ( 11.403 8.348 4.542) 14.844 11.829 ( -0.675 -4.734 -0.603) 4.820 11.829 ( -0.675 4.734 -0.603) 4.820 13.326 ( 4.031 -5.182 -3.072) 7.248 13.326 ( 4.031 5.182 -3.072) 7.248 13.698 ( -2.220 -4.454 3.242) 5.940 13.698 ( -2.220 4.454 3.242) 5.940 15.154 ( -2.110 -3.981 -3.594) 5.764 15.154 ( -2.110 3.981 -3.594) 5.764 15.922 ( -3.416 -2.449 -1.246) 4.384 15.922 ( -3.416 2.449 -1.246) 4.384 16.828 ( -6.498 -12.128 14.576) 20.044 16.828 ( -6.498 12.128 14.576) 20.044 17.075 ( 0.179 -4.998 -8.228) 9.629 17.075 ( 0.179 4.998 -8.228) 9.629 18.130 ( 9.822 -17.778 -4.249) 20.750 18.130 ( 9.822 17.778 -4.249) 20.750 21.748 ( 1.497 -0.523 1.238) 2.011 21.748 ( 1.497 0.523 1.238) 2.011 ======================= Grid point 260 (139/170) ======================= q-point: (-0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -4.004 -6.822 -0.395) 7.920 1.786 ( -4.004 6.822 -0.395) 7.920 1.941 ( 2.150 -11.380 -9.017) 14.678 1.941 ( 2.150 11.380 -9.017) 14.678 2.272 ( -2.041 -7.782 -2.591) 8.453 2.272 ( -2.041 7.782 -2.591) 8.453 2.845 ( 5.197 -5.170 2.993) 7.918 2.845 ( 5.197 5.170 2.993) 7.918 3.087 ( 7.393 -4.117 -2.870) 8.935 3.087 ( 7.393 4.117 -2.870) 8.935 3.456 ( -6.076 -11.309 -0.627) 12.853 3.456 ( -6.076 11.309 -0.627) 12.853 4.069 ( -0.425 -1.286 6.161) 6.308 4.069 ( -0.425 1.286 6.161) 6.308 4.286 ( 5.236 -2.015 3.106) 6.412 4.286 ( 5.236 2.015 3.106) 6.412 4.828 ( 3.023 -3.379 -0.370) 4.549 4.828 ( 3.023 3.379 -0.370) 4.549 5.311 ( 2.699 -3.261 1.389) 4.455 5.311 ( 2.699 3.261 1.389) 4.455 6.137 ( 0.139 -0.909 1.223) 1.530 6.137 ( 0.139 0.909 1.223) 1.530 6.596 ( -1.751 -4.570 -3.158) 5.825 6.596 ( -1.751 4.570 -3.158) 5.825 6.914 ( -1.464 -5.935 -1.729) 6.353 6.914 ( -1.464 5.935 -1.729) 6.353 7.242 ( 7.639 -1.489 0.893) 7.834 7.242 ( 7.639 1.489 0.893) 7.834 7.951 ( -4.728 -6.566 4.121) 9.081 7.951 ( -4.728 6.566 4.121) 9.081 8.247 ( -3.213 -2.158 -0.965) 3.989 8.247 ( -3.213 2.158 -0.965) 3.989 8.546 ( 0.472 -8.307 -5.221) 9.822 8.546 ( 0.472 8.307 -5.221) 9.822 9.041 ( 2.907 -2.433 0.347) 3.807 9.041 ( 2.907 2.433 0.347) 3.807 10.080 ( -7.971 -3.628 -0.628) 8.780 10.080 ( -7.971 3.628 -0.628) 8.780 10.403 ( -9.892 -10.613 -0.557) 14.519 10.403 ( -9.892 10.613 -0.557) 14.519 11.626 ( 1.385 -5.551 -0.431) 5.737 11.626 ( 1.385 5.551 -0.431) 5.737 11.905 ( 9.680 -2.983 2.242) 10.375 11.905 ( 9.680 2.983 2.242) 10.375 13.332 ( 1.381 -4.641 -3.914) 6.226 13.332 ( 1.381 4.641 -3.914) 6.226 13.722 ( -0.144 -5.272 4.975) 7.251 13.722 ( -0.144 5.272 4.975) 7.251 15.048 ( -3.152 -5.113 -7.308) 9.460 15.048 ( -3.152 5.113 -7.308) 9.460 15.866 ( -2.855 -1.493 0.929) 3.353 15.866 ( -2.855 1.493 0.929) 3.353 16.824 ( -9.389 -6.760 2.819) 11.907 16.824 ( -9.389 6.760 2.819) 11.907 17.088 ( 7.990 -7.761 2.729) 11.468 17.088 ( 7.990 7.761 2.729) 11.468 18.210 ( 5.976 -14.748 -4.501) 16.537 18.210 ( 5.976 14.748 -4.501) 16.537 21.791 ( 1.094 -0.262 2.556) 2.792 21.791 ( 1.094 0.262 2.556) 2.792 ======================= Grid point 262 (140/170) ======================= q-point: (-0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -6.102 -4.802 -1.696) 7.948 1.704 ( -6.102 4.802 -1.696) 7.948 1.880 ( 2.949 -15.619 -6.127) 17.035 1.880 ( 2.949 15.619 -6.127) 17.035 2.237 ( 3.200 -8.694 -5.716) 10.886 2.237 ( 3.200 8.694 -5.716) 10.886 2.894 ( -1.039 -4.340 -1.752) 4.795 2.894 ( -1.039 4.340 -1.752) 4.795 3.109 ( 3.390 -4.655 -7.728) 9.637 3.109 ( 3.390 4.655 -7.728) 9.637 3.474 ( 2.167 -10.692 8.356) 13.742 3.474 ( 2.167 10.692 8.356) 13.742 4.098 ( -4.688 -2.875 5.615) 7.860 4.098 ( -4.688 2.875 5.615) 7.860 4.406 ( 3.823 -3.979 6.146) 8.260 4.406 ( 3.823 3.979 6.146) 8.260 4.868 ( 2.449 -5.083 0.052) 5.642 4.868 ( 2.449 5.083 0.052) 5.642 5.346 ( 0.167 -3.684 0.140) 3.691 5.346 ( 0.167 3.684 0.140) 3.691 6.134 ( -0.548 -1.904 -0.045) 1.981 6.134 ( -0.548 1.904 -0.045) 1.981 6.563 ( 0.266 -2.978 -1.349) 3.280 6.563 ( 0.266 2.978 -1.349) 3.280 6.868 ( -0.907 -7.670 -2.826) 8.224 6.868 ( -0.907 7.670 -2.826) 8.224 7.352 ( 4.563 -2.672 0.806) 5.349 7.352 ( 4.563 2.672 0.806) 5.349 7.908 ( -6.056 -5.045 3.695) 8.705 7.908 ( -6.056 5.045 3.695) 8.705 8.191 ( -0.032 -1.471 -2.168) 2.621 8.191 ( -0.032 1.471 -2.168) 2.621 8.454 ( -1.982 -7.377 -8.390) 11.347 8.454 ( -1.982 7.377 -8.390) 11.347 9.104 ( 2.298 -1.031 0.737) 2.624 9.104 ( 2.298 1.031 0.737) 2.624 9.963 ( -4.790 -5.752 0.035) 7.485 9.963 ( -4.790 5.752 0.035) 7.485 10.307 ( -3.847 -4.143 3.035) 6.417 10.307 ( -3.847 4.143 3.035) 6.417 11.586 ( -1.885 -3.453 -3.928) 5.559 11.586 ( -1.885 3.453 -3.928) 5.559 12.103 ( 8.561 -1.814 3.840) 9.557 12.103 ( 8.561 1.814 3.840) 9.557 13.297 ( 0.247 -3.072 -3.997) 5.047 13.297 ( 0.247 3.072 -3.997) 5.047 13.790 ( 0.189 -3.702 6.528) 7.507 13.790 ( 0.189 3.702 6.528) 7.507 14.915 ( -1.733 -5.719 -8.983) 10.789 14.915 ( -1.733 5.719 -8.983) 10.789 15.854 ( -0.975 -0.516 2.552) 2.780 15.854 ( -0.975 0.516 2.552) 2.780 16.657 ( -8.494 -5.936 -4.266) 11.206 16.657 ( -8.494 5.936 -4.266) 11.206 17.299 ( 8.054 -11.674 8.588) 16.580 17.299 ( 8.054 11.674 8.588) 16.580 18.225 ( 2.580 -12.700 -5.094) 13.925 18.225 ( 2.580 12.700 -5.094) 13.925 21.835 ( 0.536 -0.013 3.052) 3.098 21.835 ( 0.536 0.013 3.052) 3.098 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 7.291 0.000 -18.325) 19.722 1.545 ( -7.291 0.000 18.325) 19.722 1.656 ( 5.010 0.000 -18.493) 19.159 1.656 ( -5.010 0.000 18.493) 19.159 2.180 ( -1.048 0.000 0.047) 1.049 2.180 ( 1.048 0.000 -0.047) 1.049 2.665 ( -8.187 0.000 -9.964) 12.896 2.665 ( 8.187 0.000 9.964) 12.896 3.185 ( -7.428 0.000 -3.003) 8.012 3.185 ( 7.428 0.000 3.003) 8.012 3.688 ( -7.073 0.000 -16.406) 17.866 3.688 ( 7.073 0.000 16.406) 17.866 4.219 ( 11.266 0.000 -6.148) 12.835 4.219 ( -11.266 0.000 6.148) 12.835 4.525 ( -7.045 0.000 0.051) 7.046 4.525 ( 7.045 0.000 -0.051) 7.046 4.877 ( -14.343 0.000 -5.107) 15.225 4.877 ( 14.343 0.000 5.107) 15.225 5.577 ( 8.268 0.000 -10.935) 13.709 5.577 ( -8.268 0.000 10.935) 13.709 5.938 ( -1.373 0.000 -6.002) 6.157 5.938 ( 1.373 0.000 6.002) 6.157 6.260 ( 8.243 0.000 -6.795) 10.683 6.260 ( -8.243 0.000 6.795) 10.683 7.142 ( -5.046 0.000 -2.018) 5.434 7.142 ( 5.046 0.000 2.018) 5.434 7.619 ( -3.018 0.000 0.829) 3.130 7.619 ( 3.018 0.000 -0.829) 3.130 7.703 ( -3.789 0.000 -2.411) 4.491 7.703 ( 3.789 0.000 2.411) 4.491 8.164 ( -3.567 0.000 -6.610) 7.511 8.164 ( 3.567 0.000 6.610) 7.511 8.374 ( 11.610 0.000 -13.834) 18.060 8.374 ( -11.610 0.000 13.834) 18.060 8.649 ( 1.401 0.000 -3.858) 4.105 8.649 ( -1.401 0.000 3.858) 4.105 9.881 ( 2.780 0.000 -2.642) 3.835 9.881 ( -2.780 0.000 2.642) 3.835 10.897 ( 0.239 0.000 -3.708) 3.715 10.897 ( -0.239 0.000 3.708) 3.715 11.681 ( -1.905 0.000 0.378) 1.942 11.681 ( 1.905 0.000 -0.378) 1.942 12.548 ( -16.349 0.000 1.391) 16.408 12.548 ( 16.349 0.000 -1.391) 16.408 12.809 ( -1.147 0.000 -0.347) 1.198 12.809 ( 1.147 0.000 0.347) 1.198 14.004 ( 8.732 0.000 -10.031) 13.299 14.004 ( -8.732 0.000 10.031) 13.299 15.073 ( -1.756 0.000 -7.119) 7.332 15.073 ( 1.756 0.000 7.119) 7.332 15.913 ( -20.173 0.000 -1.256) 20.212 15.913 ( 20.173 0.000 1.256) 20.212 16.091 ( -7.039 0.000 -13.081) 14.854 16.091 ( 7.039 0.000 13.081) 14.854 16.699 ( -7.812 0.000 -7.600) 10.899 16.699 ( 7.812 0.000 7.600) 10.899 18.684 ( 0.999 0.000 -13.638) 13.675 18.684 ( -0.999 0.000 13.638) 13.675 21.893 ( -0.450 0.000 -1.517) 1.582 21.893 ( 0.450 0.000 1.517) 1.582 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 5.320 0.000 -19.478) 20.192 1.455 ( 3.223 0.000 -18.132) 18.416 1.753 ( 3.617 0.000 12.620) 13.128 1.808 ( 6.107 0.000 4.212) 7.418 2.127 ( 2.131 0.000 -8.553) 8.815 2.171 ( 0.965 0.000 -3.443) 3.576 2.441 ( -8.390 0.000 3.849) 9.231 2.759 ( -1.206 0.000 -1.484) 1.913 3.112 ( -3.644 0.000 1.067) 3.797 3.411 ( 6.925 0.000 9.610) 11.845 3.416 ( -5.848 0.000 -11.183) 12.620 3.910 ( 0.054 0.000 11.220) 11.220 4.255 ( 3.264 0.000 14.383) 14.749 4.348 ( -13.889 0.000 -3.081) 14.226 4.370 ( 11.210 0.000 -2.548) 11.496 4.585 ( 0.759 0.000 -4.184) 4.252 4.624 ( -7.832 0.000 -1.188) 7.921 5.054 ( 2.190 0.000 1.622) 2.725 5.544 ( -0.461 0.000 -9.583) 9.594 5.546 ( -12.984 0.000 12.110) 17.755 5.868 ( 4.382 0.000 -7.442) 8.637 5.999 ( -0.430 0.000 6.479) 6.494 6.288 ( 0.820 0.000 8.710) 8.748 6.353 ( 9.294 0.000 -4.067) 10.145 7.113 ( 6.377 0.000 -1.979) 6.677 7.250 ( 5.943 0.000 -0.870) 6.006 7.559 ( -5.203 0.000 -0.014) 5.203 7.602 ( -5.913 0.000 1.682) 6.148 7.629 ( 0.810 0.000 -3.341) 3.438 7.745 ( -2.499 0.000 3.801) 4.549 8.027 ( -4.248 0.000 -7.112) 8.284 8.238 ( -3.971 0.000 5.567) 6.838 8.394 ( -5.460 0.000 14.822) 15.796 8.408 ( 8.591 0.000 -12.792) 15.410 8.615 ( 2.989 0.000 -5.574) 6.324 8.619 ( -5.235 0.000 0.657) 5.276 9.825 ( -4.169 0.000 -3.629) 5.527 9.874 ( 3.271 0.000 -7.083) 7.802 10.890 ( -1.094 0.000 3.593) 3.756 10.957 ( 0.101 0.000 7.224) 7.224 11.654 ( -1.611 0.000 -0.382) 1.656 11.718 ( 2.843 0.000 1.277) 3.117 12.239 ( -17.576 0.000 3.018) 17.833 12.448 ( -17.984 0.000 -1.469) 18.044 12.795 ( -2.941 0.000 -6.353) 7.001 13.002 ( 20.343 0.000 -4.491) 20.833 13.974 ( -7.409 0.000 7.743) 10.717 14.054 ( 10.631 0.000 -9.337) 14.149 14.992 ( -0.348 0.000 -4.505) 4.518 15.187 ( 2.356 0.000 6.487) 6.902 15.682 ( -10.480 0.000 4.230) 11.302 15.839 ( -8.092 0.000 -7.749) 11.204 16.302 ( 17.030 0.000 3.307) 17.348 16.321 ( 1.681 0.000 15.160) 15.253 16.554 ( 3.324 0.000 -3.471) 4.806 16.920 ( 9.183 0.000 6.965) 11.525 18.525 ( 0.780 0.000 -17.639) 17.657 18.775 ( -3.346 0.000 8.922) 9.528 21.854 ( -0.766 0.000 -3.579) 3.660 21.897 ( -0.320 0.000 -1.086) 1.132 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 5.553 0.000 -21.740) 22.438 1.352 ( 9.391 0.000 -17.993) 20.296 1.939 ( 1.103 0.000 13.011) 13.058 1.970 ( 16.357 0.000 -6.910) 17.756 2.173 ( 3.540 0.000 -1.163) 3.726 2.190 ( 6.791 0.000 6.720) 9.554 2.488 ( 2.223 0.000 10.609) 10.839 2.649 ( -5.980 0.000 -6.671) 8.959 2.992 ( -9.591 0.000 -4.059) 10.414 3.305 ( -1.592 0.000 -0.587) 1.697 3.459 ( -11.511 0.000 1.555) 11.615 3.893 ( -5.594 0.000 -2.474) 6.116 4.261 ( 1.372 0.000 12.076) 12.153 4.373 ( -11.355 0.000 -15.943) 19.573 4.500 ( 8.049 0.000 -3.318) 8.706 4.509 ( 7.466 0.000 10.881) 13.196 4.583 ( -0.567 0.000 2.484) 2.548 5.046 ( -6.774 0.000 4.832) 8.321 5.357 ( -6.874 0.000 -11.840) 13.691 5.408 ( -16.785 0.000 10.238) 19.661 5.932 ( 9.365 0.000 -2.757) 9.763 6.087 ( 0.656 0.000 7.408) 7.437 6.408 ( 0.485 0.000 9.304) 9.317 6.447 ( 6.579 0.000 -2.305) 6.971 7.254 ( 5.879 0.000 -3.385) 6.784 7.285 ( 1.554 0.000 -3.645) 3.962 7.455 ( -7.163 0.000 0.778) 7.205 7.600 ( -0.175 0.000 6.003) 6.006 7.624 ( 5.901 0.000 -0.193) 5.905 7.707 ( -5.581 0.000 -0.043) 5.581 7.856 ( -7.723 0.000 -7.288) 10.619 8.205 ( -5.840 0.000 4.942) 7.650 8.345 ( 0.737 0.000 -9.988) 10.015 8.392 ( -10.008 0.000 7.112) 12.278 8.581 ( -1.994 0.000 6.267) 6.576 8.668 ( 11.385 0.000 -7.575) 13.675 9.697 ( -1.367 0.000 -7.647) 7.768 9.848 ( 4.740 0.000 -8.349) 9.600 10.924 ( -5.570 0.000 10.774) 12.128 11.046 ( 1.231 0.000 6.532) 6.647 11.616 ( 0.574 0.000 -5.088) 5.121 11.788 ( -2.260 0.000 5.331) 5.790 12.129 ( -18.039 0.000 -0.327) 18.042 12.170 ( 0.294 0.000 11.000) 11.004 12.597 ( -6.871 0.000 -10.315) 12.394 13.221 ( 12.411 0.000 -4.627) 13.245 13.939 ( -4.553 0.000 3.947) 6.025 14.120 ( 9.073 0.000 -9.180) 12.907 14.966 ( 0.484 0.000 -0.293) 0.566 15.267 ( 0.798 0.000 3.659) 3.745 15.646 ( -2.617 0.000 7.127) 7.592 15.706 ( -3.995 0.000 1.907) 4.427 16.343 ( 5.747 0.000 -11.428) 12.792 16.471 ( -2.971 0.000 14.652) 14.951 16.836 ( 13.597 0.000 7.506) 15.531 17.134 ( 7.877 0.000 6.793) 10.402 18.335 ( 1.271 0.000 -19.859) 19.900 18.776 ( -7.834 0.000 8.675) 11.688 21.800 ( -0.362 0.000 -4.259) 4.275 21.862 ( -1.005 0.000 -3.081) 3.241 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 17.445 0.000 -11.746) 21.030 1.381 ( 14.287 0.000 -12.036) 18.681 2.067 ( -1.440 0.000 11.155) 11.247 2.119 ( 3.859 0.000 2.265) 4.474 2.247 ( -0.326 0.000 4.740) 4.751 2.401 ( 4.459 0.000 6.642) 8.000 2.469 ( -2.326 0.000 -7.524) 7.875 2.704 ( 3.807 0.000 0.824) 3.896 2.805 ( 5.059 0.000 0.506) 5.084 3.138 ( -19.264 0.000 -6.829) 20.438 3.271 ( -1.540 0.000 -0.766) 1.720 3.865 ( 0.703 0.000 2.107) 2.221 4.017 ( -9.673 0.000 -12.139) 15.522 4.443 ( 1.116 0.000 10.369) 10.429 4.560 ( 4.664 0.000 -5.284) 7.048 4.606 ( 0.969 0.000 0.728) 1.212 4.699 ( 5.965 0.000 4.338) 7.376 4.930 ( -11.116 0.000 1.963) 11.288 5.107 ( -6.890 0.000 -12.099) 13.923 5.279 ( -14.403 0.000 11.154) 18.217 6.070 ( 7.778 0.000 0.911) 7.832 6.168 ( 0.527 0.000 6.129) 6.151 6.501 ( -0.830 0.000 8.629) 8.669 6.526 ( 5.237 0.000 0.125) 5.238 7.118 ( -8.251 0.000 -9.878) 12.870 7.217 ( -3.252 0.000 -6.566) 7.327 7.375 ( -4.692 0.000 2.343) 5.244 7.556 ( -7.692 0.000 -5.941) 9.720 7.603 ( -13.089 0.000 -1.580) 13.184 7.726 ( 5.170 0.000 3.620) 6.311 7.743 ( 2.608 0.000 -1.216) 2.878 8.206 ( -1.641 0.000 6.381) 6.588 8.268 ( 1.846 0.000 -6.901) 7.144 8.370 ( -3.680 0.000 9.816) 10.483 8.640 ( -1.441 0.000 9.087) 9.201 8.774 ( 12.013 0.000 -8.684) 14.823 9.681 ( 5.955 0.000 -1.521) 6.146 9.876 ( 8.415 0.000 -4.610) 9.595 10.894 ( -14.573 0.000 11.744) 18.716 11.141 ( 2.806 0.000 5.372) 6.061 11.574 ( 6.284 0.000 -11.705) 13.285 11.696 ( -14.683 0.000 2.686) 14.927 11.906 ( -11.927 0.000 3.773) 12.509 12.148 ( -6.225 0.000 -11.955) 13.478 12.666 ( 9.113 0.000 20.187) 22.149 13.311 ( 4.513 0.000 -2.176) 5.010 13.914 ( -1.319 0.000 -0.597) 1.447 14.119 ( 4.593 0.000 -11.738) 12.605 15.002 ( 1.894 0.000 3.313) 3.816 15.312 ( 0.280 0.000 3.048) 3.061 15.726 ( 0.705 0.000 9.516) 9.542 15.742 ( 1.001 0.000 8.814) 8.871 16.357 ( 11.179 0.000 -11.565) 16.085 16.552 ( -5.713 0.000 13.404) 14.571 16.973 ( 4.222 0.000 -8.097) 9.132 17.296 ( 3.596 0.000 3.778) 5.216 18.155 ( 4.133 0.000 -19.032) 19.476 18.730 ( -13.270 0.000 14.000) 19.290 21.755 ( 0.246 0.000 -3.636) 3.645 21.805 ( -1.201 0.000 -3.620) 3.814 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 18.678 0.000 -4.316) 19.170 1.516 ( 13.303 0.000 -6.412) 14.768 2.034 ( -10.931 0.000 1.913) 11.097 2.133 ( -6.735 0.000 4.115) 7.892 2.268 ( 0.247 0.000 8.261) 8.265 2.341 ( -7.982 0.000 -4.150) 8.996 2.555 ( 10.114 0.000 3.467) 10.692 2.602 ( -4.049 0.000 -2.113) 4.567 2.789 ( -11.993 0.000 -8.232) 14.546 3.166 ( 13.289 0.000 3.019) 13.627 3.357 ( 12.876 0.000 7.930) 15.122 3.840 ( -1.931 0.000 -1.085) 2.215 3.916 ( 0.114 0.000 5.344) 5.345 4.386 ( -8.871 0.000 -6.924) 11.253 4.518 ( -0.573 0.000 -8.641) 8.660 4.676 ( 2.114 0.000 5.417) 5.814 4.800 ( 0.771 0.000 -0.433) 0.884 4.801 ( -3.722 0.000 -1.682) 4.084 4.905 ( -2.325 0.000 -7.617) 7.964 5.156 ( -14.086 0.000 8.239) 16.318 6.178 ( 5.015 0.000 0.105) 5.016 6.239 ( -0.380 0.000 6.090) 6.102 6.571 ( -0.917 0.000 6.822) 6.883 6.617 ( 3.295 0.000 2.584) 4.188 6.898 ( -5.625 0.000 -7.037) 9.009 7.059 ( -6.662 0.000 -6.572) 9.358 7.338 ( -4.929 0.000 3.862) 6.261 7.381 ( -6.149 0.000 -4.492) 7.615 7.389 ( -5.118 0.000 -5.322) 7.383 7.682 ( -3.826 0.000 -5.239) 6.487 7.897 ( 6.006 0.000 8.651) 10.531 8.231 ( -2.625 0.000 3.202) 4.140 8.258 ( 4.537 0.000 -4.534) 6.414 8.415 ( -4.149 0.000 7.370) 8.457 8.727 ( -1.360 0.000 10.147) 10.238 8.846 ( 9.383 0.000 -10.159) 13.830 9.837 ( 9.844 0.000 5.279) 11.170 10.033 ( 12.961 0.000 1.269) 13.023 10.723 ( -17.182 0.000 6.282) 18.294 11.257 ( 3.396 0.000 5.916) 6.822 11.372 ( -18.902 0.000 -9.540) 21.173 11.563 ( 6.673 0.000 -10.997) 12.863 11.807 ( -6.597 0.000 4.394) 7.926 11.947 ( -4.689 0.000 -6.767) 8.232 13.036 ( 4.727 0.000 22.828) 23.312 13.353 ( 3.141 0.000 -0.770) 3.234 13.873 ( -1.454 0.000 -2.515) 2.905 14.023 ( 1.326 0.000 -13.398) 13.463 15.091 ( 3.154 0.000 4.921) 5.845 15.326 ( -1.732 0.000 1.145) 2.076 15.863 ( 1.154 0.000 12.356) 12.410 15.925 ( 7.485 0.000 10.366) 12.786 16.415 ( 9.436 0.000 -9.784) 13.593 16.583 ( -7.484 0.000 11.801) 13.974 16.878 ( 3.983 0.000 -16.171) 16.654 17.270 ( -5.753 0.000 -6.544) 8.713 18.117 ( 12.639 0.000 -11.376) 17.005 18.639 ( -17.553 0.000 14.347) 22.670 21.728 ( 0.423 0.000 -2.466) 2.502 21.753 ( -0.930 0.000 -2.651) 2.809 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 3.850 0.000 0.105) 3.851 1.661 ( 5.317 0.000 -5.959) 7.986 1.965 ( 0.807 0.000 2.073) 2.225 2.033 ( -5.854 0.000 0.913) 5.925 2.275 ( 0.629 0.000 5.224) 5.262 2.375 ( 1.113 0.000 7.230) 7.315 2.464 ( -8.554 0.000 -9.007) 12.422 2.497 ( -3.008 0.000 -6.126) 6.824 2.885 ( 15.749 0.000 5.508) 16.685 3.166 ( -11.474 0.000 -1.306) 11.548 3.676 ( 11.691 0.000 9.789) 15.248 3.928 ( -8.050 0.000 0.678) 8.078 4.025 ( 15.730 0.000 4.371) 16.326 4.162 ( -4.397 0.000 -5.024) 6.676 4.411 ( 2.116 0.000 -6.277) 6.624 4.598 ( -13.678 0.000 -7.052) 15.389 4.745 ( -0.822 0.000 4.363) 4.440 4.764 ( 1.413 0.000 -3.269) 3.562 4.934 ( 6.712 0.000 -2.774) 7.263 5.026 ( -10.572 0.000 5.257) 11.807 6.244 ( 4.695 0.000 -2.163) 5.169 6.273 ( -3.144 0.000 4.772) 5.714 6.623 ( 0.500 0.000 3.486) 3.521 6.655 ( -1.048 0.000 0.895) 1.378 6.815 ( 1.035 0.000 -1.248) 1.622 6.892 ( -6.158 0.000 -3.582) 7.124 7.269 ( -0.674 0.000 -2.909) 2.986 7.276 ( -3.271 0.000 -0.451) 3.302 7.401 ( 3.242 0.000 4.761) 5.760 7.540 ( -5.292 0.000 -6.381) 8.290 8.074 ( 4.729 0.000 6.937) 8.396 8.188 ( -3.513 0.000 -1.889) 3.989 8.309 ( 6.753 0.000 -3.113) 7.436 8.387 ( -6.525 0.000 3.691) 7.496 8.805 ( -3.356 0.000 10.977) 11.478 8.853 ( 6.094 0.000 -11.289) 12.829 10.073 ( 10.069 0.000 6.922) 12.219 10.226 ( 3.457 0.000 -1.879) 3.934 10.600 ( -0.917 0.000 9.725) 9.768 10.921 ( -18.005 0.000 -13.698) 22.623 11.400 ( 5.122 0.000 4.936) 7.113 11.516 ( -0.747 0.000 -6.876) 6.917 11.786 ( 0.256 0.000 1.224) 1.251 11.836 ( -3.962 0.000 -1.439) 4.215 13.287 ( -0.856 0.000 17.265) 17.286 13.379 ( 3.842 0.000 -6.903) 7.900 13.838 ( -2.063 0.000 3.149) 3.764 13.898 ( 0.912 0.000 -11.445) 11.481 15.197 ( 3.466 0.000 4.153) 5.409 15.283 ( -3.032 0.000 -1.730) 3.491 16.020 ( -0.351 0.000 14.245) 14.249 16.101 ( 6.137 0.000 -4.995) 7.912 16.462 ( 7.023 0.000 -2.164) 7.349 16.560 ( -8.863 0.000 7.235) 11.441 16.846 ( 9.088 0.000 -6.645) 11.258 17.030 ( -10.276 0.000 -9.037) 13.684 18.274 ( 17.775 0.000 -7.649) 19.350 18.478 ( -18.969 0.000 10.363) 21.615 21.715 ( 0.388 0.000 -0.978) 1.052 21.721 ( -0.549 0.000 -0.853) 1.015 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 6.181 -3.183 -19.753) 20.940 1.483 ( -6.181 -3.183 19.753) 20.940 1.685 ( -5.506 1.307 -16.937) 17.857 1.685 ( 5.506 1.307 16.937) 17.857 2.293 ( -1.745 8.559 -1.529) 8.868 2.293 ( 1.745 8.559 1.529) 8.868 2.653 ( -3.292 -1.192 -10.097) 10.687 2.653 ( 3.292 -1.192 10.097) 10.687 3.167 ( -8.876 -1.285 -6.175) 10.889 3.167 ( 8.876 -1.285 6.175) 10.889 3.638 ( -5.623 -3.807 -12.961) 14.632 3.638 ( 5.623 -3.807 12.961) 14.632 4.280 ( 5.391 4.668 -8.521) 11.111 4.280 ( -5.391 4.668 8.521) 11.111 4.507 ( -5.369 -0.587 -1.393) 5.578 4.507 ( 5.369 -0.587 1.393) 5.578 4.793 ( -10.547 -6.942 -5.379) 13.725 4.793 ( 10.547 -6.942 5.379) 13.725 5.543 ( 3.880 -3.117 -8.450) 9.807 5.543 ( -3.880 -3.117 8.450) 9.807 6.013 ( -0.729 6.153 -4.202) 7.486 6.013 ( 0.729 6.153 4.202) 7.486 6.307 ( 5.064 3.977 -6.000) 8.801 6.307 ( -5.064 3.977 6.000) 8.801 7.029 ( -1.906 -8.573 -5.878) 10.568 7.029 ( 1.906 -8.573 5.878) 10.568 7.599 ( -0.139 -1.979 -2.399) 3.113 7.599 ( 0.139 -1.979 2.399) 3.113 7.721 ( -5.858 1.850 -0.529) 6.166 7.721 ( 5.858 1.850 0.529) 6.166 8.184 ( -3.585 0.373 -3.173) 4.801 8.184 ( 3.585 0.373 3.173) 4.801 8.388 ( 7.394 0.779 -8.989) 11.665 8.388 ( -7.394 0.779 8.989) 11.665 8.735 ( 0.367 7.892 -5.368) 9.552 8.735 ( -0.367 7.892 5.368) 9.552 9.883 ( 1.049 0.412 -2.999) 3.204 9.883 ( -1.049 0.412 2.999) 3.204 10.780 ( 1.164 -9.946 -6.057) 11.703 10.780 ( -1.164 -9.946 6.057) 11.703 11.644 ( -2.309 -3.200 -1.532) 4.233 11.644 ( 2.309 -3.200 1.532) 4.233 12.422 ( -10.288 -6.279 1.668) 12.168 12.422 ( 10.288 -6.279 -1.668) 12.168 13.029 ( -6.282 13.553 -2.573) 15.158 13.029 ( 6.282 13.553 2.573) 15.158 13.931 ( 6.284 -5.716 -9.583) 12.806 13.931 ( -6.284 -5.716 9.583) 12.806 15.030 ( -0.355 -4.066 -7.752) 8.761 15.030 ( 0.355 -4.066 7.752) 8.761 15.943 ( -4.087 -0.240 -2.104) 4.603 15.943 ( 4.087 -0.240 2.104) 4.603 16.159 ( -4.197 8.206 -12.618) 15.626 16.159 ( 4.197 8.206 12.618) 15.626 16.777 ( -11.311 7.485 -5.463) 14.622 16.777 ( 11.311 7.485 5.463) 14.622 18.635 ( 2.168 -4.662 -14.140) 15.046 18.635 ( -2.168 -4.662 14.140) 15.046 21.898 ( -0.386 0.336 -1.241) 1.343 21.898 ( 0.386 0.336 1.241) 1.343 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.814 -6.843 -24.052) 25.020 1.474 ( 8.899 2.136 -14.611) 17.241 1.667 ( 2.409 -0.957 14.526) 14.755 1.952 ( 8.747 2.855 8.196) 12.322 2.211 ( -6.777 6.186 2.613) 9.540 2.346 ( 5.563 14.401 -6.945) 16.929 2.459 ( -5.595 2.470 -4.951) 7.869 2.726 ( -2.172 -1.793 0.221) 2.825 3.043 ( -3.099 -5.019 3.138) 6.681 3.280 ( -1.262 -8.734 -5.849) 10.587 3.508 ( 0.824 4.556 1.439) 4.849 3.855 ( 3.115 -5.446 11.182) 12.822 4.221 ( -3.487 -1.747 5.169) 6.476 4.328 ( -9.414 -0.996 -3.303) 10.026 4.443 ( 6.881 1.915 -0.557) 7.164 4.539 ( -2.082 -2.537 0.647) 3.346 4.585 ( -4.594 -0.765 -5.916) 7.529 4.980 ( 7.369 -5.226 1.757) 9.204 5.445 ( -8.438 -5.016 2.403) 10.106 5.576 ( -4.590 -0.887 -0.206) 4.680 5.964 ( 1.082 6.931 -0.622) 7.043 6.067 ( 0.850 5.239 2.310) 5.788 6.299 ( 0.762 2.433 5.112) 5.712 6.401 ( 6.068 2.872 -1.088) 6.801 6.992 ( 5.550 -9.554 -5.443) 12.317 7.161 ( 7.262 -6.566 4.374) 10.722 7.520 ( -5.858 -2.822 -2.008) 6.805 7.599 ( -4.224 -1.981 0.195) 4.669 7.628 ( -2.248 2.090 1.234) 3.309 7.803 ( 2.501 3.996 1.548) 4.962 8.106 ( -1.871 5.274 -4.797) 7.371 8.305 ( 2.584 -4.433 -0.192) 5.134 8.309 ( -3.440 4.854 4.835) 7.666 8.433 ( 0.378 -1.392 1.046) 1.782 8.670 ( 0.259 5.559 -4.604) 7.223 8.728 ( -5.411 9.302 0.905) 10.799 9.849 ( 0.381 1.676 -5.126) 5.406 9.883 ( 1.281 1.687 -4.004) 4.530 10.749 ( 0.440 -10.753 1.334) 10.844 10.865 ( 3.022 -8.657 4.303) 10.129 11.591 ( -2.357 -4.380 -0.193) 4.978 11.702 ( 2.385 -1.889 1.876) 3.574 12.198 ( -17.394 -1.342 5.766) 18.374 12.431 ( -9.385 -5.813 -2.979) 11.434 12.902 ( -2.940 12.308 -2.995) 13.004 13.178 ( 11.344 11.609 -4.582) 16.866 13.927 ( -4.271 -3.797 5.633) 8.024 13.953 ( 6.803 -8.153 -6.064) 12.228 14.961 ( 0.349 -3.206 -4.422) 5.473 15.128 ( 0.459 -4.673 8.275) 9.514 15.814 ( -6.008 7.960 -4.216) 10.827 15.853 ( -5.903 1.983 -1.517) 6.409 16.224 ( 10.005 0.637 1.261) 10.104 16.477 ( 12.791 3.158 14.961) 19.936 16.556 ( -9.981 5.894 -1.338) 11.668 17.019 ( 9.856 8.576 6.398) 14.547 18.484 ( 1.408 -3.938 -18.227) 18.701 18.714 ( -4.142 -5.662 9.315) 11.661 21.862 ( -0.819 0.680 -3.090) 3.268 21.899 ( -0.278 0.128 -1.326) 1.361 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 8.362 -3.639 -19.320) 21.364 1.512 ( 13.084 7.733 -13.707) 20.466 1.867 ( 3.300 -2.387 12.169) 12.833 2.121 ( 8.438 -1.202 -3.829) 9.344 2.171 ( -4.118 7.131 8.645) 11.939 2.327 ( 8.382 13.459 -6.569) 17.162 2.490 ( 2.638 0.946 6.306) 6.900 2.635 ( -5.038 -1.027 -2.425) 5.684 3.001 ( -7.358 0.935 -1.570) 7.581 3.178 ( -1.949 -10.228 -1.791) 10.565 3.475 ( -11.247 0.299 -0.224) 11.253 3.904 ( -3.343 0.033 -0.741) 3.424 4.197 ( 0.199 -5.967 8.913) 10.728 4.260 ( -7.013 -8.778 -16.182) 19.700 4.352 ( 3.306 -3.834 1.567) 5.300 4.513 ( -0.616 -4.340 0.537) 4.416 4.675 ( 6.594 7.004 5.943) 11.308 5.060 ( -3.031 -0.379 5.085) 5.932 5.322 ( -8.249 -3.048 0.421) 8.804 5.404 ( -12.426 -0.097 -2.203) 12.620 5.996 ( 3.585 4.820 -0.474) 6.026 6.141 ( 2.159 3.796 4.997) 6.636 6.383 ( 1.178 -0.272 5.481) 5.612 6.471 ( 3.752 1.573 0.163) 4.072 7.036 ( 3.308 -12.512 -2.877) 13.258 7.346 ( 7.311 -1.948 1.373) 7.690 7.373 ( -8.328 -4.401 -1.416) 9.525 7.530 ( -3.769 -5.534 -0.574) 6.721 7.675 ( 4.569 5.264 4.575) 8.338 7.823 ( -2.293 8.758 -1.196) 9.132 7.988 ( -3.684 8.782 -6.721) 11.656 8.217 ( -4.081 -2.622 -1.030) 4.959 8.390 ( 1.486 8.209 0.009) 8.342 8.421 ( -8.670 -0.788 7.935) 11.780 8.609 ( -4.872 4.431 3.187) 7.316 8.707 ( 9.425 3.599 -6.982) 12.269 9.787 ( 0.897 8.162 -6.115) 10.238 9.865 ( 4.838 1.516 -6.669) 8.378 10.807 ( -1.100 -9.425 7.266) 11.951 10.969 ( 4.411 -7.270 4.200) 9.484 11.561 ( -0.700 -4.144 -2.465) 4.872 11.760 ( -0.966 -2.603 4.362) 5.171 12.010 ( -15.438 -2.858 6.145) 16.860 12.215 ( -8.769 -3.311 -0.961) 9.423 12.802 ( -4.631 15.854 -2.627) 16.725 13.304 ( 10.523 6.669 -5.642) 13.676 13.911 ( -5.007 -2.158 5.477) 7.728 14.010 ( 8.296 -9.666 -7.190) 14.627 14.952 ( 1.423 -1.725 0.304) 2.257 15.215 ( -0.135 -3.933 6.943) 7.981 15.671 ( -3.943 2.437 -1.644) 4.918 15.851 ( -0.191 11.308 4.580) 12.202 16.299 ( 4.715 -1.825 -10.939) 12.051 16.491 ( -2.122 1.123 10.810) 11.073 16.842 ( 10.763 0.918 12.730) 16.696 17.199 ( 4.794 5.400 3.442) 7.999 18.297 ( 1.836 -3.395 -20.378) 20.740 18.717 ( -7.706 -5.592 9.723) 13.608 21.812 ( -0.456 1.029 -3.850) 4.011 21.862 ( -1.072 -0.023 -3.199) 3.374 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 18.194 -0.206 -9.319) 20.443 1.583 ( 11.874 12.565 -9.620) 19.784 2.007 ( -1.000 -3.622 8.114) 8.942 2.172 ( -1.943 0.907 6.773) 7.105 2.266 ( 3.903 2.134 3.195) 5.477 2.414 ( -1.225 -0.929 -3.981) 4.268 2.478 ( 2.016 3.862 2.440) 4.993 2.721 ( 5.702 1.624 2.609) 6.477 2.871 ( 2.636 6.542 -0.163) 7.055 3.079 ( -10.447 -6.092 -5.362) 13.229 3.221 ( -8.625 -3.191 -2.988) 9.669 3.876 ( -0.410 0.435 -1.033) 1.194 3.972 ( -6.917 -2.892 -8.638) 11.438 4.317 ( 1.365 -10.931 5.474) 12.301 4.428 ( 1.446 -6.717 -1.843) 7.114 4.535 ( 3.754 -4.729 1.573) 6.239 4.799 ( 3.320 4.800 0.591) 5.867 4.990 ( -10.868 1.387 4.706) 11.924 5.136 ( -5.637 2.626 -12.058) 13.567 5.257 ( -12.220 -1.454 10.796) 16.371 6.057 ( 3.059 0.174 0.744) 3.153 6.224 ( 2.269 2.259 3.271) 4.577 6.457 ( 0.726 -1.559 6.446) 6.672 6.542 ( 4.298 2.102 1.553) 5.030 7.007 ( -2.965 -8.453 -3.557) 9.638 7.195 ( -7.243 -1.291 -3.875) 8.316 7.345 ( -8.610 -4.232 -0.804) 9.628 7.497 ( 0.249 -6.395 -3.653) 7.369 7.692 ( -5.677 7.677 -2.632) 9.904 7.771 ( -2.299 8.999 3.096) 9.791 7.921 ( 2.521 9.336 -4.931) 10.855 8.136 ( -2.119 -3.560 -3.329) 5.315 8.339 ( -4.031 2.832 4.689) 6.801 8.474 ( 0.405 10.234 7.786) 12.866 8.644 ( -0.979 0.972 8.643) 8.752 8.805 ( 11.331 2.409 -7.677) 13.897 9.791 ( 5.977 9.376 -2.182) 11.331 9.920 ( 8.618 4.387 -2.230) 9.924 10.812 ( -8.899 -7.427 7.402) 13.753 11.099 ( 3.886 -3.923 6.630) 8.629 11.481 ( -1.105 -7.436 -10.346) 12.789 11.692 ( -10.048 -0.367 0.395) 10.063 11.846 ( -10.985 -3.116 5.290) 12.584 12.135 ( -2.131 -2.740 -4.850) 5.964 12.810 ( 1.645 11.232 11.597) 16.228 13.380 ( 5.500 5.313 -3.686) 8.489 13.887 ( -3.314 -2.178 2.116) 4.496 14.040 ( 5.691 -7.225 -8.508) 12.528 15.006 ( 2.092 0.117 3.821) 4.358 15.276 ( -0.102 -2.847 4.818) 5.597 15.681 ( 1.500 -1.572 6.690) 7.034 15.897 ( -1.556 12.572 5.702) 13.892 16.271 ( 7.600 -7.081 -9.846) 14.313 16.607 ( 0.549 4.368 10.213) 11.121 17.015 ( 3.054 3.785 -5.275) 7.175 17.272 ( 2.429 -2.263 2.797) 4.341 18.118 ( 4.088 -3.082 -19.446) 20.109 18.687 ( -12.810 -4.500 14.511) 19.873 21.768 ( 0.010 1.057 -3.479) 3.636 21.803 ( -1.307 -0.189 -3.654) 3.885 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 17.922 -0.392 -4.115) 18.393 1.669 ( 6.338 8.743 -4.659) 11.761 1.989 ( -5.565 -2.590 3.788) 7.213 2.177 ( -8.652 2.113 2.289) 9.196 2.228 ( -1.671 -1.386 -0.192) 2.179 2.480 ( -3.253 8.242 2.257) 9.144 2.524 ( 8.954 0.122 5.537) 10.529 2.687 ( -1.566 5.221 -0.991) 5.540 2.772 ( -12.992 -1.629 -8.395) 15.554 3.127 ( 9.066 -2.463 1.692) 9.545 3.295 ( 14.542 -4.087 8.266) 17.219 3.805 ( -1.837 -2.425 0.817) 3.150 3.918 ( -0.621 -0.554 2.269) 2.416 4.292 ( -6.876 -8.685 -4.165) 11.835 4.376 ( 1.721 -8.964 -7.091) 11.559 4.645 ( 5.198 -3.269 2.298) 6.556 4.748 ( -9.254 -3.492 -2.483) 10.198 4.873 ( -3.516 3.290 -1.782) 5.134 4.993 ( 0.650 6.054 -6.364) 8.808 5.163 ( -12.626 0.678 8.262) 15.104 6.108 ( 1.859 -3.759 1.825) 4.573 6.263 ( -0.682 -1.471 1.006) 1.908 6.550 ( 1.434 0.506 6.352) 6.531 6.638 ( 4.013 2.608 2.156) 5.249 6.892 ( -4.887 -0.951 -2.362) 5.511 7.067 ( -5.102 0.458 -3.913) 6.446 7.163 ( -7.967 -8.047 -1.188) 11.386 7.434 ( -1.770 0.879 -4.652) 5.055 7.589 ( -3.964 7.936 -3.547) 9.554 7.707 ( -5.417 7.976 0.144) 9.643 7.960 ( 3.535 4.100 2.321) 5.890 8.106 ( 1.027 -5.362 -1.893) 5.779 8.361 ( 0.647 4.903 3.107) 5.840 8.531 ( -2.701 9.617 5.298) 11.308 8.733 ( -0.450 0.996 8.816) 8.883 8.873 ( 7.919 1.908 -8.830) 12.013 9.931 ( 9.844 7.981 3.544) 13.159 10.099 ( 12.588 6.265 3.266) 14.435 10.685 ( -13.884 -3.398 4.163) 14.888 11.214 ( -3.520 -4.796 4.119) 7.236 11.274 ( -6.080 -6.962 -8.490) 12.551 11.545 ( -1.502 -1.099 -6.927) 7.172 11.780 ( -3.719 -1.498 3.601) 5.389 12.013 ( -4.685 3.477 -5.597) 8.085 13.033 ( 3.102 0.499 17.793) 18.069 13.414 ( 3.651 4.071 -3.667) 6.584 13.849 ( -3.605 -1.694 2.010) 4.462 14.004 ( 3.037 -2.461 -10.689) 11.382 15.093 ( 2.372 0.350 5.235) 5.758 15.307 ( -0.824 -1.883 1.372) 2.471 15.840 ( 4.979 -5.438 10.778) 13.058 15.942 ( -1.023 7.080 7.359) 10.263 16.320 ( 8.896 -6.463 -6.315) 12.680 16.700 ( -3.061 8.455 7.793) 11.899 16.905 ( 3.077 2.602 -15.750) 16.258 17.276 ( -4.418 -0.108 -3.300) 5.515 18.069 ( 12.514 -4.147 -12.030) 17.847 18.602 ( -17.477 -4.003 14.198) 22.870 21.737 ( 0.139 0.681 -2.570) 2.662 21.749 ( -0.977 -0.260 -2.550) 2.743 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 7.796 0.022 -3.487) 8.540 1.662 ( -1.546 0.694 0.251) 1.713 1.992 ( -0.732 2.548 2.917) 3.942 2.052 ( -3.765 1.430 -2.118) 4.551 2.255 ( 4.032 -0.645 5.062) 6.503 2.461 ( -9.829 -0.340 -8.462) 12.974 2.502 ( 0.036 8.984 5.426) 10.496 2.576 ( -1.889 6.564 -4.738) 8.313 2.868 ( 13.599 -0.797 6.705) 15.183 3.121 ( -8.914 -3.193 -2.460) 9.783 3.608 ( 11.765 -5.328 8.732) 15.590 3.855 ( -8.661 -6.200 0.194) 10.653 3.996 ( 12.890 -2.334 3.372) 13.526 4.132 ( -3.723 -3.078 -2.811) 5.589 4.331 ( 2.940 -6.283 -3.409) 7.729 4.513 ( -12.055 -6.081 -6.993) 15.205 4.737 ( 3.516 -1.618 1.547) 4.168 4.804 ( -3.091 1.326 -1.609) 3.728 4.987 ( 6.065 4.758 -5.721) 9.600 5.053 ( -10.425 2.342 6.722) 12.624 6.164 ( 2.220 -5.761 2.518) 6.668 6.229 ( -2.781 -4.744 -1.406) 5.676 6.622 ( 0.717 1.097 3.840) 4.058 6.668 ( -0.406 1.669 -2.048) 2.673 6.854 ( -0.034 2.592 2.877) 3.872 6.932 ( -4.545 1.710 -3.897) 6.226 7.159 ( 3.598 -4.043 4.592) 7.097 7.309 ( -5.583 -0.671 -6.760) 8.793 7.551 ( 1.157 10.415 1.081) 10.535 7.617 ( -3.716 7.801 -2.591) 9.021 8.046 ( 1.488 -1.850 4.612) 5.187 8.096 ( 0.346 -4.861 -2.863) 5.652 8.424 ( 4.231 7.884 1.225) 9.031 8.504 ( -4.874 9.190 1.373) 10.493 8.813 ( -2.022 0.889 9.442) 9.697 8.868 ( 4.463 1.143 -9.906) 10.925 10.154 ( 10.554 6.964 5.673) 13.859 10.316 ( 3.317 8.265 -1.097) 8.973 10.557 ( -0.776 -3.719 8.655) 9.452 10.870 ( -16.507 -4.170 -12.440) 21.086 11.360 ( 4.364 -3.673 4.404) 7.206 11.463 ( -2.169 -4.382 -4.673) 6.763 11.798 ( 2.892 1.181 0.885) 3.247 11.885 ( -5.523 3.527 -2.199) 6.913 13.251 ( 0.879 -2.430 15.745) 15.956 13.390 ( 1.877 -0.103 -10.307) 10.477 13.846 ( -3.088 0.850 8.188) 8.792 13.919 ( 2.059 0.931 -11.528) 11.747 15.190 ( 2.667 -0.410 4.851) 5.551 15.273 ( -2.275 -0.920 -2.549) 3.538 15.997 ( 1.663 -5.106 5.795) 7.900 16.018 ( 0.992 -2.873 3.749) 4.827 16.428 ( 9.239 -0.799 0.450) 9.285 16.606 ( -8.307 4.502 -4.061) 10.285 16.916 ( 7.157 5.383 0.417) 8.965 17.091 ( -8.032 4.218 -7.876) 12.014 18.225 ( 18.170 -4.550 -7.666) 20.240 18.437 ( -19.283 -4.189 10.192) 22.210 21.718 ( 0.250 0.143 -1.276) 1.308 21.720 ( -0.544 -0.088 -0.570) 0.793 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 2.092 1.448 -12.251) 12.512 1.464 ( -2.092 1.448 12.251) 12.512 1.709 ( -5.193 1.493 -6.696) 8.604 1.709 ( 5.193 1.493 6.696) 8.604 2.400 ( 2.931 -1.402 -4.215) 5.322 2.400 ( -2.931 -1.402 4.215) 5.322 2.663 ( -2.669 4.202 -4.799) 6.915 2.663 ( 2.669 4.202 4.799) 6.915 3.122 ( -5.567 -3.716 -2.497) 7.143 3.122 ( 5.567 -3.716 2.497) 7.143 3.585 ( -3.928 -0.045 -5.490) 6.751 3.585 ( 3.928 -0.045 5.490) 6.751 4.354 ( 3.406 0.363 -10.342) 10.894 4.354 ( -3.406 0.363 10.342) 10.894 4.504 ( -8.838 -1.007 -0.484) 8.908 4.504 ( 8.838 -1.007 0.484) 8.908 4.693 ( -6.744 1.324 -2.581) 7.341 4.693 ( 6.744 1.324 2.581) 7.341 5.460 ( -1.174 -4.428 -4.770) 6.614 5.460 ( 1.174 -4.428 4.770) 6.614 6.129 ( 3.320 3.331 -3.262) 5.724 6.129 ( -3.320 3.331 3.262) 5.724 6.412 ( 2.895 5.982 -3.784) 7.647 6.412 ( -2.895 5.982 3.784) 7.647 6.862 ( -1.219 -6.379 -9.215) 11.274 6.862 ( 1.219 -6.379 9.215) 11.274 7.536 ( 0.115 -3.859 -3.460) 5.184 7.536 ( -0.115 -3.859 3.460) 5.184 7.785 ( -4.890 3.970 -0.420) 6.312 7.785 ( 4.890 3.970 0.420) 6.312 8.165 ( 4.492 -1.496 -4.611) 6.609 8.165 ( -4.492 -1.496 4.611) 6.609 8.380 ( 2.883 -1.797 -5.976) 6.874 8.380 ( -2.883 -1.797 5.976) 6.874 8.926 ( -0.275 8.672 -5.640) 10.349 8.926 ( 0.275 8.672 5.640) 10.349 9.909 ( -2.274 2.034 -3.992) 5.025 9.909 ( 2.274 2.034 3.992) 5.025 10.551 ( 0.157 -10.332 -4.890) 11.431 10.551 ( -0.157 -10.332 4.890) 11.431 11.566 ( -3.078 -3.873 -2.509) 5.547 11.566 ( 3.078 -3.873 2.509) 5.547 12.327 ( 7.146 -3.195 -3.416) 8.541 12.327 ( -7.146 -3.195 3.416) 8.541 13.239 ( -5.831 5.052 -2.953) 8.261 13.239 ( 5.831 5.052 2.953) 8.261 13.842 ( 0.166 -1.072 -6.072) 6.168 13.842 ( -0.166 -1.072 6.072) 6.168 14.911 ( 0.462 -6.857 -7.760) 10.366 14.911 ( -0.462 -6.857 7.760) 10.366 15.920 ( -0.963 -0.832 -1.375) 1.874 15.920 ( 0.963 -0.832 1.375) 1.874 16.343 ( -0.511 6.907 -10.371) 12.471 16.343 ( 0.511 6.907 10.371) 12.471 17.020 ( -11.991 15.319 -5.895) 20.327 17.020 ( 11.991 15.319 5.895) 20.327 18.492 ( 3.638 -8.908 -13.754) 16.786 18.492 ( -3.638 -8.908 13.754) 16.786 21.903 ( -0.202 0.090 -0.641) 0.678 21.903 ( 0.202 0.090 0.641) 0.678 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -0.755 3.275 -16.276) 16.619 1.526 ( 7.983 2.979 -4.868) 9.813 1.713 ( 3.495 4.961 5.999) 8.533 1.930 ( 9.472 -3.587 4.020) 10.897 2.357 ( -7.897 3.836 4.803) 10.008 2.412 ( 1.504 -3.468 -1.298) 3.996 2.551 ( -5.279 1.969 5.705) 8.019 2.828 ( 7.576 6.741 -2.469) 10.437 2.966 ( -7.887 -1.067 1.940) 8.192 3.130 ( -0.513 -1.022 -8.644) 8.719 3.521 ( -2.078 -5.280 0.084) 5.675 3.743 ( 5.854 -2.703 6.800) 9.371 4.188 ( -10.680 -1.254 -1.527) 10.861 4.330 ( -5.537 -0.835 -2.104) 5.982 4.371 ( -3.249 -3.173 -7.464) 8.737 4.532 ( -2.359 1.388 -1.348) 3.051 4.658 ( 2.375 4.289 2.770) 5.631 4.903 ( 10.722 -0.933 2.756) 11.109 5.345 ( -8.054 -4.159 2.116) 9.308 5.528 ( -0.414 -3.170 -1.197) 3.414 6.093 ( -2.565 4.304 3.088) 5.886 6.147 ( 1.678 1.447 -1.933) 2.941 6.395 ( -1.448 5.794 2.946) 6.659 6.473 ( 3.707 5.014 0.955) 6.308 6.790 ( 2.842 -8.436 -6.416) 10.973 7.024 ( 6.534 -6.128 7.749) 11.845 7.454 ( -4.687 -3.392 -3.347) 6.684 7.521 ( -5.120 -4.731 0.684) 7.005 7.732 ( 0.386 7.021 0.676) 7.064 7.884 ( 6.134 3.470 0.989) 7.117 8.166 ( -0.367 -0.758 3.540) 3.639 8.235 ( 4.309 -0.630 -5.327) 6.881 8.338 ( -1.757 -3.608 -0.252) 4.020 8.417 ( 1.307 1.097 5.591) 5.846 8.838 ( -2.829 9.380 -3.194) 10.305 8.931 ( -5.197 8.848 0.304) 10.265 9.861 ( 2.995 0.464 -4.503) 5.428 9.982 ( 3.473 6.286 -0.726) 7.219 10.517 ( 1.324 -10.536 0.048) 10.619 10.644 ( 6.004 -10.874 1.032) 12.464 11.505 ( -2.633 -3.460 0.653) 4.396 11.647 ( 2.793 -3.028 2.623) 4.883 12.185 ( -14.666 -0.444 5.011) 15.505 12.294 ( -6.723 -5.846 -3.763) 9.671 13.130 ( -2.403 7.058 -1.620) 7.630 13.379 ( 7.947 5.231 -2.186) 9.762 13.777 ( 1.021 -5.102 -5.730) 7.740 13.882 ( -2.973 -0.426 5.599) 6.353 14.863 ( 1.566 -5.512 -3.395) 6.661 15.008 ( 0.844 -6.700 8.824) 11.111 15.862 ( -4.245 1.262 -2.450) 5.061 15.928 ( 3.264 0.794 -3.334) 4.733 16.330 ( 6.835 6.789 -1.231) 9.712 16.537 ( 5.806 3.610 11.131) 13.063 16.768 ( -13.354 13.952 0.002) 19.313 17.251 ( 6.896 12.638 6.432) 15.768 18.361 ( 1.549 -7.707 -16.355) 18.147 18.550 ( -4.462 -9.556 8.457) 13.518 21.876 ( -0.888 0.532 -2.108) 2.349 21.899 ( -0.181 -0.162 -1.764) 1.781 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 7.142 8.106 -9.412) 14.328 1.651 ( 13.910 5.011 -4.887) 15.571 1.842 ( 3.992 1.381 4.542) 6.203 2.059 ( 4.993 -4.310 -0.083) 6.596 2.282 ( -6.173 2.533 4.964) 8.317 2.451 ( 2.079 -1.629 2.379) 3.554 2.607 ( 0.633 0.564 8.288) 8.331 2.732 ( -5.197 15.482 -7.835) 18.113 2.957 ( -1.011 -9.026 -2.239) 9.355 3.057 ( -0.301 5.951 0.370) 5.970 3.411 ( -10.920 -7.287 -3.211) 13.516 3.874 ( 2.543 -3.750 3.102) 5.491 4.063 ( -2.355 -3.326 -1.507) 4.345 4.158 ( -7.793 -1.500 -9.633) 12.481 4.297 ( 0.972 -1.625 1.476) 2.401 4.451 ( -3.160 -1.333 -2.882) 4.480 4.782 ( 5.261 2.734 4.564) 7.482 5.004 ( -3.452 -4.750 4.248) 7.247 5.262 ( -5.773 -1.620 3.645) 7.017 5.408 ( -7.227 0.334 -6.838) 9.955 6.090 ( -2.025 3.475 2.587) 4.782 6.182 ( 3.108 -0.207 0.184) 3.120 6.415 ( 0.386 2.924 1.998) 3.562 6.552 ( 3.551 6.364 2.908) 7.847 6.797 ( 2.230 -9.625 -0.680) 9.904 7.194 ( 4.493 -8.840 4.061) 10.716 7.333 ( -5.607 -1.840 -1.736) 6.151 7.408 ( -8.232 -5.923 -1.161) 10.208 7.817 ( 8.568 7.186 -1.117) 11.238 7.988 ( 3.811 6.577 -0.414) 7.613 8.119 ( -2.915 1.339 -8.489) 9.075 8.198 ( -0.110 3.175 0.943) 3.313 8.340 ( -6.154 -4.582 8.451) 11.414 8.560 ( 5.680 5.193 7.095) 10.467 8.776 ( -3.811 9.410 -0.156) 10.153 8.816 ( -0.591 7.289 -5.642) 9.237 9.908 ( 6.838 2.864 -2.275) 7.755 10.000 ( 3.307 10.420 -4.141) 11.690 10.574 ( 2.080 -12.268 2.524) 12.697 10.783 ( 9.993 -9.436 1.693) 13.848 11.481 ( -3.605 -2.675 1.428) 4.711 11.702 ( 0.255 -2.380 2.359) 3.361 11.985 ( -15.718 -0.668 3.889) 16.206 12.110 ( -8.496 -5.381 -2.153) 10.285 13.086 ( -2.954 9.357 -0.607) 9.831 13.443 ( 6.296 5.289 -5.619) 9.959 13.775 ( 4.254 -10.602 -3.183) 11.859 13.877 ( -4.493 -0.823 5.339) 7.026 14.894 ( 3.286 -3.274 1.867) 5.000 15.119 ( 1.102 -5.275 8.240) 9.846 15.753 ( -5.663 4.914 -0.679) 7.528 15.986 ( 8.438 -0.558 -3.813) 9.276 16.425 ( 2.883 14.232 -10.317) 17.813 16.545 ( -4.082 5.784 9.364) 11.739 16.845 ( 5.693 -1.277 15.461) 16.525 17.338 ( -0.524 7.282 -0.799) 7.344 18.201 ( 1.820 -5.604 -17.700) 18.654 18.551 ( -7.206 -9.829 9.802) 15.640 21.834 ( -0.727 0.858 -3.040) 3.241 21.860 ( -1.077 -0.185 -3.335) 3.510 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 13.072 7.740 -3.377) 15.563 1.826 ( 11.171 9.084 -3.887) 14.914 1.924 ( 1.194 -3.062 2.709) 4.259 2.142 ( 2.244 -3.247 5.091) 6.442 2.269 ( -2.888 -2.308 2.951) 4.730 2.415 ( -3.312 1.423 -5.847) 6.869 2.625 ( 1.500 8.643 4.218) 9.734 2.759 ( 0.072 0.788 7.221) 7.264 2.924 ( -2.031 -4.720 -0.702) 5.186 3.060 ( 2.290 7.555 -1.703) 8.076 3.154 ( -9.498 -2.028 -3.825) 10.438 3.868 ( -3.931 -2.023 -4.952) 6.639 3.946 ( -3.542 0.502 -2.337) 4.274 4.089 ( 0.329 -8.399 1.121) 8.480 4.307 ( -0.570 -3.955 -5.333) 6.664 4.429 ( 2.709 -5.631 2.729) 6.819 4.848 ( -2.498 -1.137 -1.676) 3.216 4.939 ( -7.387 -4.192 4.902) 9.807 5.204 ( -2.182 2.529 -7.183) 7.922 5.239 ( -8.918 0.575 5.903) 10.711 6.079 ( -2.189 1.417 1.207) 2.874 6.217 ( 1.400 -1.762 -1.431) 2.667 6.465 ( 2.576 1.503 4.075) 5.050 6.650 ( 4.101 7.359 3.721) 9.210 6.828 ( -0.096 -7.693 2.527) 8.098 7.168 ( -5.850 -1.871 -1.101) 6.240 7.231 ( -10.379 -6.315 -3.765) 12.720 7.326 ( 2.003 -8.133 0.820) 8.416 7.878 ( -1.269 6.414 -9.406) 11.455 7.933 ( 2.535 7.302 0.920) 7.784 8.090 ( 0.841 6.124 -4.972) 7.933 8.135 ( -5.313 4.575 -1.769) 7.232 8.358 ( -1.927 -0.769 8.688) 8.932 8.711 ( 2.071 7.658 8.708) 11.779 8.729 ( -3.286 9.595 3.959) 10.887 8.843 ( 8.914 0.746 -6.438) 11.021 10.000 ( 7.452 9.533 -2.170) 12.294 10.066 ( 7.831 8.593 1.431) 11.714 10.610 ( -0.015 -11.103 1.242) 11.172 10.981 ( 8.561 -7.331 5.361) 12.481 11.348 ( -10.657 -3.324 -5.078) 12.264 11.684 ( -3.903 -0.296 -1.278) 4.117 11.802 ( -11.603 -1.516 4.232) 12.443 12.042 ( 0.707 -5.414 -0.120) 5.461 13.034 ( -3.681 8.806 3.115) 10.040 13.473 ( 5.050 2.511 -6.165) 8.355 13.802 ( -0.163 -8.217 0.619) 8.242 13.882 ( 0.625 -4.052 2.260) 4.682 14.996 ( 4.115 -0.929 4.970) 6.519 15.209 ( -0.176 -3.489 6.359) 7.256 15.705 ( -2.017 4.029 4.347) 6.261 16.094 ( 9.115 -5.617 -4.719) 11.701 16.265 ( -4.915 18.795 -4.930) 20.042 16.703 ( 6.421 4.365 7.338) 10.683 17.080 ( 4.638 -0.184 7.711) 9.001 17.242 ( -2.612 1.660 -7.615) 8.220 18.039 ( 2.272 -4.428 -17.107) 17.817 18.533 ( -11.595 -9.976 13.735) 20.558 21.789 ( -0.657 0.618 -3.248) 3.371 21.800 ( -1.372 -0.027 -3.524) 3.781 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 12.220 3.783 -1.109) 12.840 1.825 ( -7.965 4.211 -2.229) 9.281 1.964 ( 4.240 0.980 1.074) 4.482 2.157 ( -4.459 -3.960 -1.129) 6.070 2.222 ( 1.155 0.498 -2.374) 2.686 2.497 ( 8.209 0.801 6.340) 10.403 2.703 ( -10.593 -3.419 -7.142) 13.225 2.718 ( -0.581 9.061 7.403) 11.715 2.768 ( -2.368 1.593 -1.013) 3.029 3.062 ( 2.222 -3.437 2.971) 5.057 3.323 ( 13.276 7.690 7.289) 16.986 3.756 ( -4.185 -2.706 2.340) 5.506 3.887 ( -2.490 -1.860 -1.767) 3.575 4.086 ( -0.973 -8.223 -2.009) 8.521 4.219 ( 0.587 -5.686 -7.465) 9.402 4.534 ( 3.645 -7.689 4.014) 9.408 4.667 ( -10.342 -3.521 -5.972) 12.451 4.887 ( -3.580 -1.776 -1.466) 4.257 5.121 ( 1.156 5.252 -5.938) 8.011 5.168 ( -9.997 -0.133 7.224) 12.334 6.051 ( -1.919 -1.586 0.559) 2.551 6.192 ( -1.778 -3.683 -2.316) 4.700 6.573 ( 3.037 0.932 5.352) 6.224 6.748 ( 2.631 6.663 1.933) 7.419 6.849 ( -1.357 -2.894 4.484) 5.507 7.025 ( -7.452 -4.206 -4.159) 9.515 7.082 ( -3.217 -0.226 -0.212) 3.232 7.328 ( -0.607 -8.644 -3.221) 9.245 7.785 ( -1.057 10.436 -2.379) 10.756 7.933 ( -4.296 10.463 -2.468) 11.576 8.021 ( 2.692 1.336 -3.897) 4.921 8.077 ( -2.639 3.688 0.210) 4.540 8.443 ( 2.186 1.478 5.793) 6.366 8.727 ( -2.810 7.084 2.724) 8.094 8.812 ( 0.270 6.757 6.599) 9.449 8.899 ( 6.237 0.859 -6.388) 8.969 10.135 ( 9.435 11.241 1.956) 14.806 10.251 ( 10.126 5.880 5.114) 12.778 10.599 ( -2.926 -4.427 0.357) 5.319 11.083 ( -11.989 -4.049 -7.897) 14.916 11.147 ( 3.796 -6.427 6.326) 9.784 11.523 ( -8.883 -1.165 -5.137) 10.328 11.760 ( 0.733 -0.124 1.914) 2.053 12.036 ( -1.932 -1.342 -1.688) 2.896 13.069 ( 0.152 2.746 8.703) 9.127 13.456 ( 1.848 -0.673 -7.829) 8.072 13.805 ( -2.459 -3.281 5.340) 6.732 13.915 ( 2.640 -5.169 -2.646) 6.379 15.107 ( 2.715 0.794 4.619) 5.416 15.252 ( -0.849 -2.894 3.140) 4.354 15.781 ( 1.790 0.673 8.508) 8.720 16.065 ( -2.885 -0.448 -4.650) 5.491 16.309 ( 10.244 11.038 0.434) 15.065 16.867 ( 3.459 6.315 6.621) 9.781 16.999 ( -1.734 6.782 -14.860) 16.426 17.243 ( -1.590 -3.107 1.975) 4.010 17.960 ( 9.779 -6.088 -12.117) 16.719 18.456 ( -16.504 -10.035 13.111) 23.346 21.741 ( -0.823 -0.279 -2.721) 2.857 21.751 ( -0.802 0.334 -2.350) 2.505 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 6.789 0.168 -2.580) 7.265 1.685 ( -6.861 0.930 2.024) 7.213 2.039 ( 1.381 0.682 1.400) 2.081 2.072 ( -2.302 -0.036 -2.045) 3.079 2.243 ( 4.693 -0.646 1.743) 5.048 2.426 ( -10.086 -3.249 -7.724) 13.112 2.656 ( 5.741 5.158 1.312) 7.828 2.728 ( -3.621 6.271 1.749) 7.450 2.900 ( 8.021 3.969 7.741) 11.833 3.070 ( -3.914 -2.340 -2.658) 5.278 3.541 ( 7.683 1.602 5.024) 9.318 3.719 ( -8.553 -4.850 -0.544) 9.848 3.944 ( 9.627 -2.421 3.090) 10.396 4.042 ( -2.031 -4.766 -0.242) 5.186 4.196 ( 3.875 -5.947 -0.400) 7.109 4.391 ( -12.017 -5.352 -6.420) 14.638 4.666 ( 6.746 -4.786 0.374) 8.280 4.784 ( -5.456 -3.080 -3.075) 6.979 5.091 ( 0.314 3.431 -1.916) 3.942 5.100 ( -4.422 2.326 2.897) 5.775 6.051 ( 0.196 -4.351 2.752) 5.152 6.117 ( -2.893 -4.925 -3.710) 6.811 6.650 ( 0.358 1.293 4.725) 4.912 6.721 ( -1.933 2.648 -4.938) 5.927 6.894 ( -0.103 0.910 5.774) 5.846 6.951 ( -0.831 1.140 -2.523) 2.891 7.102 ( 3.850 -2.629 4.449) 6.444 7.237 ( -3.873 -5.908 -6.131) 9.354 7.783 ( 1.237 11.617 0.928) 11.719 7.837 ( -3.338 11.470 -2.146) 12.137 8.034 ( 2.422 0.894 -2.465) 3.569 8.048 ( -2.219 0.992 1.545) 2.881 8.554 ( 4.598 2.124 4.398) 6.708 8.670 ( -4.853 3.838 -1.758) 6.433 8.874 ( -1.195 5.808 6.327) 8.671 8.907 ( 3.472 3.755 -6.400) 8.193 10.323 ( 9.858 8.033 2.864) 13.035 10.470 ( -1.081 -3.829 5.976) 7.179 10.535 ( 5.336 10.928 0.088) 12.162 10.800 ( -12.371 -0.658 -8.428) 14.983 11.251 ( 1.924 -6.616 5.582) 8.868 11.356 ( -4.499 -5.448 -5.196) 8.770 11.831 ( 5.844 1.848 0.752) 6.175 11.946 ( -6.044 1.839 -1.756) 6.557 13.205 ( 2.484 -1.789 10.868) 11.291 13.358 ( -1.486 -2.711 -10.228) 10.685 13.846 ( -1.570 -1.693 7.495) 7.843 13.900 ( 1.638 -3.023 -6.183) 7.075 15.187 ( 1.756 0.089 3.825) 4.209 15.244 ( -1.379 -1.758 -1.397) 2.636 15.904 ( 2.115 -1.452 6.575) 7.058 15.985 ( -2.028 -0.791 -3.196) 3.867 16.515 ( 11.493 9.622 4.495) 15.649 16.755 ( -8.905 9.796 -8.403) 15.680 17.020 ( 5.593 3.877 3.324) 7.573 17.154 ( -5.265 1.290 -4.804) 7.243 18.086 ( 17.267 -8.625 -7.569) 20.732 18.292 ( -18.782 -9.688 9.600) 23.212 21.714 ( -0.047 -0.344 -0.797) 0.869 21.721 ( -0.579 -0.103 -1.073) 1.223 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.737 1.743 -6.126) 6.602 1.510 ( 1.737 1.743 6.126) 6.602 1.776 ( 2.782 5.281 -4.608) 7.540 1.776 ( -2.782 5.281 4.608) 7.540 2.283 ( 2.719 -7.385 -3.979) 8.818 2.283 ( -2.719 -7.385 3.979) 8.818 2.766 ( -4.355 3.323 0.143) 5.480 2.766 ( 4.355 3.323 -0.143) 5.480 3.032 ( -8.197 -3.311 -3.870) 9.651 3.032 ( 8.197 -3.311 3.870) 9.651 3.633 ( -5.867 3.622 -3.065) 7.546 3.633 ( 5.867 3.622 3.065) 7.546 4.243 ( -0.280 -7.844 -2.044) 8.111 4.243 ( 0.280 -7.844 2.044) 8.111 4.533 ( 0.910 2.893 -4.399) 5.344 4.533 ( -0.910 2.893 4.399) 5.344 4.819 ( -5.763 7.552 -1.265) 9.583 4.819 ( 5.763 7.552 1.265) 9.583 5.368 ( -4.480 -4.144 -1.317) 6.243 5.368 ( 4.480 -4.144 1.317) 6.243 6.143 ( 2.136 -1.029 -2.663) 3.566 6.143 ( -2.136 -1.029 2.663) 3.566 6.534 ( -1.349 4.549 -0.699) 4.796 6.534 ( 1.349 4.549 0.699) 4.796 6.782 ( -2.129 -1.168 -8.046) 8.405 6.782 ( 2.129 -1.168 8.046) 8.405 7.448 ( -0.045 -4.025 -2.914) 4.969 7.448 ( 0.045 -4.025 2.914) 4.969 7.860 ( -0.206 2.448 -1.385) 2.821 7.860 ( 0.206 2.448 1.385) 2.821 8.159 ( 2.691 1.553 -1.420) 3.416 8.159 ( -2.691 1.553 1.420) 3.416 8.318 ( -1.372 -3.798 -4.472) 6.025 8.318 ( 1.372 -3.798 4.472) 6.025 9.059 ( -0.473 3.837 -3.006) 4.897 9.059 ( 0.473 3.837 3.006) 4.897 9.950 ( -3.545 1.261 -4.019) 5.506 9.950 ( 3.545 1.261 4.019) 5.506 10.394 ( -1.942 -4.107 -1.012) 4.654 10.394 ( 1.942 -4.107 1.012) 4.654 11.494 ( -2.528 -2.723 -2.183) 4.309 11.494 ( 2.528 -2.723 2.183) 4.309 12.276 ( 2.473 -1.791 -1.999) 3.650 12.276 ( -2.473 -1.791 1.999) 3.650 13.255 ( -4.893 -1.731 -0.340) 5.201 13.255 ( 4.893 -1.731 0.340) 5.201 13.887 ( -1.454 3.744 -2.023) 4.497 13.887 ( 1.454 3.744 2.023) 4.497 14.773 ( 0.586 -5.496 -5.556) 7.837 14.773 ( -0.586 -5.496 5.556) 7.837 15.916 ( -1.222 0.218 -0.066) 1.243 15.916 ( 1.222 0.218 0.066) 1.243 16.434 ( -0.392 2.285 -4.865) 5.389 16.434 ( 0.392 2.285 4.865) 5.389 17.365 ( -6.577 15.856 -7.531) 18.745 17.365 ( 6.577 15.856 7.531) 18.745 18.277 ( 2.955 -10.841 -11.006) 15.729 18.277 ( -2.955 -10.841 11.006) 15.729 21.902 ( 0.045 -0.110 -0.231) 0.260 21.902 ( -0.045 -0.110 0.231) 0.260 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.310 9.969 -3.314) 10.510 1.601 ( 5.602 3.662 0.106) 6.694 1.823 ( 5.705 1.028 0.971) 5.877 1.861 ( 5.262 1.393 1.929) 5.775 2.261 ( -0.647 -9.157 -0.855) 9.219 2.294 ( -1.484 -6.532 2.871) 7.288 2.708 ( -5.172 9.749 4.136) 11.785 2.827 ( 2.436 -1.515 0.253) 2.880 2.924 ( -5.060 -1.798 6.543) 8.464 3.198 ( 4.826 -4.836 1.923) 7.097 3.458 ( -7.388 6.265 -7.676) 12.360 3.703 ( 1.847 -2.772 -0.391) 3.354 4.164 ( -3.504 -1.187 -2.674) 4.564 4.237 ( -1.660 -3.780 -1.812) 4.509 4.430 ( -4.815 4.467 -6.428) 9.190 4.546 ( -1.304 -0.533 -0.541) 1.509 4.739 ( -3.104 4.530 1.918) 5.817 4.917 ( 0.783 -0.102 2.124) 2.266 5.297 ( -2.171 0.437 0.620) 2.300 5.453 ( 3.356 -3.956 -1.629) 5.437 6.130 ( -2.172 -0.237 2.285) 3.162 6.143 ( 1.322 -0.942 -1.849) 2.461 6.500 ( -2.203 4.048 1.178) 4.757 6.595 ( 3.648 2.771 0.630) 4.625 6.683 ( -1.270 0.881 -3.017) 3.389 6.911 ( 2.782 -4.864 6.963) 8.938 7.383 ( -3.085 -2.881 -3.322) 5.371 7.425 ( -6.001 -3.994 1.327) 7.330 7.881 ( 5.083 6.128 -1.726) 8.147 7.943 ( 7.505 2.103 1.780) 7.995 8.127 ( -1.636 -1.265 5.194) 5.591 8.226 ( -0.491 -3.458 -6.791) 7.637 8.279 ( 3.673 1.225 1.485) 4.147 8.408 ( 4.173 -2.181 6.063) 7.676 9.012 ( -2.400 6.487 -0.445) 6.931 9.075 ( -2.383 4.407 -0.304) 5.020 9.894 ( 2.919 2.882 -3.173) 5.186 10.060 ( 6.067 -0.843 1.070) 6.218 10.354 ( -0.371 -3.259 -1.829) 3.755 10.457 ( 5.893 -6.625 -0.913) 8.914 11.465 ( -0.630 0.066 1.676) 1.791 11.580 ( 3.484 -3.396 3.528) 6.010 12.171 ( -11.637 -0.812 1.547) 11.768 12.200 ( -7.951 -3.102 -3.346) 9.167 13.205 ( -0.922 1.554 -0.059) 1.808 13.347 ( 5.867 -5.549 -0.484) 8.090 13.805 ( -4.262 5.223 -3.176) 7.452 13.902 ( -1.358 1.298 0.230) 1.892 14.765 ( 2.591 -3.000 -0.224) 3.970 14.862 ( 2.026 -6.588 7.941) 10.515 15.891 ( -0.551 1.360 -1.817) 2.336 15.926 ( 2.937 -0.360 -3.955) 4.940 16.446 ( 3.016 4.448 3.941) 6.664 16.567 ( 4.981 -0.741 9.751) 10.975 17.140 ( -9.916 19.368 -7.882) 23.142 17.492 ( 0.727 8.467 3.047) 9.028 18.181 ( 0.945 -7.996 -10.071) 12.894 18.331 ( -3.210 -10.839 6.675) 13.128 21.883 ( -0.803 0.211 -1.533) 1.743 21.893 ( -0.239 -0.316 -1.843) 1.885 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 2.607 15.262 -0.344) 15.486 1.722 ( 8.622 2.672 0.737) 9.057 1.906 ( 5.104 0.114 -2.455) 5.665 1.960 ( 3.625 -2.891 3.383) 5.740 2.227 ( -0.385 -5.980 -2.358) 6.439 2.350 ( 2.082 -6.937 5.815) 9.288 2.722 ( -1.654 10.010 7.756) 12.771 2.848 ( -1.715 -0.998 0.022) 1.985 2.916 ( -5.290 2.291 5.342) 7.859 3.195 ( -6.526 -10.928 -1.667) 12.837 3.281 ( -1.160 11.828 -6.460) 13.527 3.718 ( 0.508 -9.680 -0.150) 9.695 4.096 ( -2.402 4.112 -1.559) 5.011 4.157 ( -4.288 0.416 -5.448) 6.946 4.309 ( -1.695 3.430 -2.443) 4.540 4.438 ( -5.738 -0.598 -6.697) 8.840 4.784 ( 2.104 -1.851 4.051) 4.925 4.881 ( -7.359 -6.343 4.171) 10.573 5.280 ( -2.341 3.207 0.783) 4.047 5.407 ( -3.193 -0.798 -5.889) 6.747 6.129 ( -2.396 0.493 3.246) 4.064 6.161 ( 2.911 -1.223 -1.147) 3.359 6.484 ( -0.424 3.324 0.052) 3.351 6.636 ( 1.598 -4.895 0.502) 5.173 6.708 ( 2.292 6.822 4.394) 8.432 7.013 ( 2.567 -8.093 3.691) 9.258 7.290 ( -4.250 -2.293 -2.684) 5.525 7.302 ( -9.551 -3.208 0.237) 10.078 7.944 ( 6.393 4.882 -5.586) 9.794 8.113 ( 9.566 1.629 -1.940) 9.896 8.125 ( -2.232 2.647 -0.953) 3.591 8.215 ( 3.250 -1.051 6.434) 7.285 8.318 ( -1.634 3.006 2.043) 3.985 8.579 ( 7.290 -3.505 6.213) 10.199 8.952 ( -4.596 7.711 -1.153) 9.050 8.988 ( -4.257 6.843 -2.079) 8.323 9.983 ( 8.885 4.049 0.520) 9.778 10.156 ( 6.629 2.058 -1.850) 7.183 10.349 ( 2.147 -5.786 -1.747) 6.414 10.588 ( 10.552 -9.125 1.142) 13.997 11.484 ( -1.894 3.326 2.754) 4.715 11.660 ( 2.174 -2.083 2.118) 3.681 11.962 ( -13.784 -1.346 -0.296) 13.853 12.011 ( -9.932 -3.898 -1.587) 10.786 13.201 ( -0.865 3.120 0.457) 3.270 13.417 ( 3.665 -7.387 -1.111) 8.321 13.709 ( -2.329 4.229 -3.193) 5.788 13.863 ( -3.365 -1.167 0.457) 3.591 14.848 ( 4.450 -0.432 4.614) 6.425 14.997 ( 3.251 -6.073 8.239) 10.740 15.851 ( -2.089 3.900 -1.303) 4.612 15.945 ( 5.343 -1.884 -4.567) 7.277 16.593 ( 6.786 4.754 7.046) 10.876 16.782 ( 6.421 -3.144 11.882) 13.867 16.898 ( -8.639 20.701 -8.142) 23.863 17.448 ( -3.290 0.950 -5.991) 6.901 18.089 ( -0.477 -3.437 -8.835) 9.492 18.327 ( -6.534 -10.830 7.752) 14.834 21.846 ( -1.014 0.313 -2.621) 2.828 21.855 ( -1.023 -0.233 -3.105) 3.278 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 4.796 12.626 1.031) 13.545 1.854 ( 4.022 -0.889 1.101) 4.264 1.956 ( 5.348 -0.790 -1.827) 5.707 2.041 ( -0.319 -6.662 3.310) 7.445 2.241 ( 4.409 2.145 0.653) 4.946 2.422 ( 1.933 -1.681 -1.116) 2.794 2.728 ( -4.920 -1.056 2.222) 5.501 2.813 ( -1.102 8.725 5.187) 10.210 2.882 ( -7.752 -3.328 -2.650) 8.843 3.033 ( -4.303 -2.138 0.084) 4.805 3.304 ( 4.243 9.495 4.381) 11.285 3.708 ( -2.708 -10.922 1.334) 11.332 3.989 ( -5.907 4.024 -3.128) 7.802 4.080 ( 0.992 3.860 -5.221) 6.569 4.259 ( -2.869 -1.072 -7.241) 7.862 4.303 ( -2.007 -5.887 0.447) 6.236 4.766 ( -6.814 -3.962 0.083) 7.883 4.858 ( -1.737 -4.526 2.244) 5.342 5.230 ( -5.553 1.830 2.168) 6.235 5.284 ( -3.355 1.597 -4.522) 5.852 6.106 ( -3.508 1.224 0.886) 3.820 6.177 ( 0.863 -1.999 -2.853) 3.588 6.509 ( 1.767 2.776 3.520) 4.819 6.690 ( 1.138 -5.578 5.054) 7.613 6.802 ( 3.099 6.396 4.027) 8.169 7.065 ( 1.329 -7.077 -1.278) 7.314 7.140 ( -9.195 -2.086 -0.627) 9.449 7.194 ( -4.426 -4.286 -1.757) 6.406 7.958 ( 3.492 3.182 -5.554) 7.291 8.070 ( -0.446 2.219 -0.328) 2.287 8.219 ( 3.169 8.288 -4.590) 9.991 8.256 ( -2.187 5.199 -3.131) 6.452 8.352 ( 1.257 1.537 7.282) 7.548 8.732 ( 4.477 -6.893 1.594) 8.372 8.889 ( -2.843 7.133 3.759) 8.549 8.939 ( 0.304 6.130 -0.110) 6.139 10.146 ( 8.490 3.091 2.312) 9.326 10.264 ( 8.521 10.790 -0.122) 13.749 10.384 ( 4.842 -8.915 -1.721) 10.290 10.792 ( 10.030 -10.623 3.775) 15.090 11.385 ( -11.106 6.504 -2.171) 13.052 11.672 ( -4.204 -1.994 -1.267) 4.823 11.775 ( -7.325 -0.285 1.085) 7.411 11.925 ( 0.872 -5.483 0.598) 5.584 13.171 ( -3.501 4.881 0.921) 6.077 13.434 ( 0.560 -6.845 -2.190) 7.209 13.683 ( 1.539 0.069 -0.589) 1.649 13.823 ( -2.515 -3.103 1.606) 4.304 14.990 ( 5.081 0.872 6.302) 8.142 15.126 ( 2.170 -4.338 6.606) 8.195 15.818 ( -1.556 5.672 1.708) 6.125 15.987 ( 4.566 -3.812 -3.018) 6.670 16.711 ( -1.855 21.194 -8.798) 23.022 16.789 ( 6.475 4.046 7.910) 10.994 17.009 ( 6.308 -4.402 9.592) 12.295 17.301 ( -1.583 0.094 -12.019) 12.123 17.959 ( -3.281 -1.415 -8.776) 9.476 18.290 ( -10.684 -12.497 10.191) 19.343 21.793 ( -1.451 0.087 -3.335) 3.638 21.801 ( -1.249 -0.050 -3.011) 3.260 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 3.184 6.979 1.660) 7.848 1.834 ( -7.693 -1.884 0.112) 7.921 1.979 ( 1.515 -1.328 -3.105) 3.701 2.051 ( 1.712 -5.385 -1.198) 5.776 2.269 ( 1.063 4.554 -5.402) 7.145 2.503 ( 3.671 -2.787 1.442) 4.829 2.633 ( -7.039 -0.058 -2.509) 7.473 2.752 ( 1.556 -1.490 3.631) 4.222 2.870 ( 0.909 3.860 4.739) 6.179 3.027 ( -1.500 -1.380 1.203) 2.366 3.523 ( 9.150 9.281 12.808) 18.273 3.683 ( -2.883 -2.723 5.117) 6.474 3.886 ( -3.510 2.918 -2.457) 5.184 4.025 ( 0.317 1.554 -6.202) 6.402 4.134 ( -1.635 -2.780 -7.146) 7.840 4.320 ( -1.020 -12.430 3.875) 13.060 4.627 ( -5.731 0.190 -4.807) 7.483 4.809 ( -3.764 -5.373 -2.772) 7.122 5.159 ( -6.786 1.076 3.695) 7.801 5.208 ( -1.592 1.505 -3.300) 3.960 6.041 ( -3.845 0.569 -1.027) 4.020 6.126 ( -2.216 -2.833 -4.025) 5.398 6.602 ( 1.844 2.219 6.431) 7.048 6.772 ( 0.480 -4.417 7.618) 8.819 6.866 ( -0.482 4.382 -0.620) 4.451 6.983 ( -1.200 0.376 -2.569) 2.861 7.061 ( -3.456 -1.734 -1.209) 4.051 7.135 ( -0.460 -8.665 -1.532) 8.811 7.963 ( 2.368 5.527 -1.682) 6.243 8.079 ( 1.706 2.396 -1.350) 3.236 8.148 ( -4.016 10.315 -1.647) 11.191 8.186 ( -1.541 7.054 -5.253) 8.929 8.429 ( 0.871 -1.434 4.530) 4.831 8.723 ( -1.482 -7.212 -4.712) 8.742 8.949 ( -0.225 6.105 8.107) 10.151 8.983 ( 4.121 4.986 -0.566) 6.493 10.301 ( 6.741 0.478 3.485) 7.603 10.382 ( 4.997 8.927 0.107) 10.231 10.502 ( 10.333 -1.916 1.529) 10.620 10.960 ( 5.031 -10.331 4.197) 12.233 11.150 ( -11.989 8.253 -3.889) 15.066 11.477 ( -11.827 -3.883 -4.683) 13.300 11.786 ( 4.100 2.767 0.347) 4.958 11.971 ( 1.529 -4.387 0.649) 4.691 13.140 ( -1.958 4.051 3.002) 5.409 13.386 ( -2.338 -5.777 -3.704) 7.250 13.724 ( 2.294 -2.469 1.600) 3.731 13.817 ( -0.785 -4.424 1.460) 4.724 15.121 ( 3.715 0.799 3.781) 5.361 15.198 ( -0.317 -2.386 3.863) 4.551 15.851 ( 0.852 4.907 5.126) 7.147 16.009 ( 0.783 -2.813 -1.204) 3.158 16.670 ( 6.870 19.551 -5.274) 21.383 16.960 ( 5.437 3.273 5.241) 8.230 17.151 ( 1.663 2.789 -8.929) 9.501 17.161 ( -0.688 -1.991 1.158) 2.404 17.839 ( 1.312 -3.605 -7.291) 8.239 18.196 ( -14.758 -14.066 9.996) 22.707 21.737 ( -1.168 0.012 -2.566) 2.819 21.751 ( -1.257 -0.325 -2.383) 2.714 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 1.364 1.453 0.049) 1.994 1.692 ( -6.703 -0.290 0.091) 6.710 2.005 ( 3.556 -2.645 -1.603) 4.713 2.038 ( -1.293 -3.100 -0.733) 3.438 2.242 ( 1.619 0.766 -0.757) 1.945 2.341 ( -6.875 -4.055 -5.740) 9.832 2.758 ( 6.544 4.674 3.545) 8.788 2.818 ( 0.945 2.864 1.494) 3.365 2.941 ( 0.169 -1.130 5.529) 5.645 2.992 ( -1.416 -4.616 -2.257) 5.329 3.687 ( 2.101 9.278 3.579) 10.164 3.753 ( -3.100 9.091 1.617) 9.740 3.895 ( 6.210 -2.269 4.288) 7.880 3.969 ( -0.891 -1.511 -2.866) 3.361 4.092 ( 2.883 -4.145 2.323) 5.558 4.265 ( -7.574 -7.808 -3.887) 11.552 4.568 ( 3.832 -3.308 -0.494) 5.087 4.686 ( -5.591 -5.872 -5.007) 9.529 5.117 ( -3.862 0.968 5.333) 6.656 5.148 ( -0.153 0.849 -4.796) 4.873 5.993 ( -1.116 -1.159 1.064) 1.929 6.037 ( -2.566 -2.791 -3.866) 5.415 6.689 ( -0.022 2.677 7.159) 7.643 6.776 ( -1.832 2.928 -6.659) 7.502 6.873 ( 1.770 -3.133 6.930) 7.809 6.969 ( -2.392 -1.442 -3.868) 4.771 7.043 ( 3.287 -1.547 1.660) 3.994 7.106 ( -1.439 -4.851 -2.032) 5.453 7.999 ( 2.629 7.093 0.742) 7.601 8.057 ( -2.111 6.977 -2.283) 7.639 8.106 ( -1.023 6.983 1.016) 7.130 8.119 ( -0.417 6.430 -2.915) 7.072 8.507 ( 2.821 -5.038 5.075) 7.688 8.622 ( -3.753 -6.938 -5.302) 9.504 9.014 ( -0.897 5.950 5.048) 7.855 9.026 ( 2.786 5.459 -2.481) 6.612 10.417 ( 2.307 -0.745 3.349) 4.135 10.438 ( 2.768 1.828 -1.606) 3.686 10.708 ( 10.370 7.068 4.318) 13.271 10.916 ( -8.878 10.035 -5.511) 14.487 11.085 ( 2.518 -9.030 6.573) 11.450 11.245 ( -8.390 -5.316 -6.626) 11.940 11.874 ( 5.887 2.284 0.186) 6.318 11.957 ( -3.385 -0.697 -0.279) 3.467 13.185 ( 1.964 0.135 4.857) 5.240 13.288 ( -3.585 -3.652 -4.854) 7.054 13.778 ( 1.625 -3.595 2.012) 4.428 13.812 ( -0.789 -4.488 -0.518) 4.587 15.188 ( 1.845 -0.044 0.833) 2.025 15.210 ( -1.262 -1.278 1.223) 2.173 15.931 ( 1.619 2.990 4.600) 5.720 15.989 ( -1.187 0.626 -1.820) 2.261 16.801 ( 11.831 15.959 -0.119) 19.866 16.999 ( -7.698 11.890 -5.493) 15.193 17.075 ( 2.396 1.661 4.569) 5.420 17.149 ( -1.340 -1.376 -3.568) 4.052 17.880 ( 11.707 -9.848 -5.579) 16.284 18.041 ( -15.898 -13.524 7.625) 22.222 21.707 ( -0.183 -0.236 -0.795) 0.849 21.714 ( -0.801 -0.436 -1.074) 1.409 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.000 0.000 0.000) 0.000 1.525 ( -0.000 0.000 0.000) 0.000 1.867 ( -0.000 -0.000 0.000) 0.000 1.867 ( -0.000 0.000 0.000) 0.000 2.176 ( -0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.790 ( -0.000 0.000 0.000) 0.000 3.005 ( -0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 -0.000 0.000) 0.000 3.685 ( -0.000 0.000 0.000) 0.000 4.141 ( -0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.569 ( -0.000 0.000 0.000) 0.000 4.917 ( 0.000 -0.000 0.000) 0.000 4.917 ( -0.000 0.000 0.000) 0.000 5.314 ( -0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 6.126 ( 0.000 0.000 0.000) 0.000 6.126 ( -0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.579 ( -0.000 0.000 0.000) 0.000 6.782 ( -0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 -0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.882 ( -0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 8.210 ( -0.000 0.000 -0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.247 ( -0.000 0.000 0.000) 0.000 8.247 ( 0.000 0.000 0.000) 0.000 9.096 ( -0.000 0.000 0.000) 0.000 9.096 ( -0.000 0.000 0.000) 0.000 9.959 ( -0.000 0.000 0.000) 0.000 9.959 ( -0.000 0.000 0.000) 0.000 10.360 ( -0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 11.463 ( 0.000 0.000 0.000) 0.000 11.463 ( -0.000 0.000 0.000) 0.000 12.256 ( -0.000 0.000 0.000) 0.000 12.256 ( -0.000 0.000 0.000) 0.000 13.229 ( -0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 13.935 ( -0.000 0.000 0.000) 0.000 13.935 ( 0.000 0.000 0.000) 0.000 14.710 ( -0.000 0.000 0.000) 0.000 14.710 ( 0.000 0.000 0.000) 0.000 15.919 ( -0.000 0.000 0.000) 0.000 15.919 ( 0.000 0.000 0.000) 0.000 16.456 ( -0.000 0.000 0.000) 0.000 16.456 ( -0.000 0.000 0.000) 0.000 17.574 ( 0.000 0.000 0.000) 0.000 17.574 ( 0.000 -0.000 0.000) 0.000 18.123 ( -0.000 0.000 0.000) 0.000 18.123 ( -0.000 0.000 0.000) 0.000 21.900 ( 0.000 0.000 0.000) 0.000 21.900 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 349 (166/170) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 5.373 -4.361 5.007) 8.541 1.609 ( 5.373 4.361 5.007) 8.541 1.863 ( 1.178 -4.976 -2.603) 5.737 1.863 ( 1.178 4.976 -2.603) 5.737 2.171 ( 0.244 -3.108 -0.077) 3.119 2.171 ( 0.244 3.108 -0.077) 3.119 2.813 ( 0.555 -1.831 4.387) 4.786 2.813 ( 0.555 1.831 4.387) 4.786 3.010 ( -2.783 -9.747 2.980) 10.566 3.010 ( -2.783 9.747 2.980) 10.566 3.614 ( -3.911 -5.839 -4.587) 8.393 3.614 ( -3.911 5.839 -4.587) 8.393 4.172 ( 3.128 -2.347 -1.481) 4.182 4.172 ( 3.128 2.347 -1.481) 4.182 4.511 ( -4.140 -2.860 -2.829) 5.772 4.511 ( -4.140 2.860 -2.829) 5.772 4.851 ( -6.844 -5.388 0.664) 8.735 4.851 ( -6.844 5.388 0.664) 8.735 5.362 ( 4.016 -4.563 -0.890) 6.143 5.362 ( 4.016 4.563 -0.890) 6.143 6.125 ( -0.189 -0.409 0.474) 0.654 6.125 ( -0.189 0.409 0.474) 0.654 6.566 ( -0.547 -2.480 -1.162) 2.792 6.566 ( -0.547 2.480 -1.162) 2.792 6.799 ( -0.048 -6.167 3.433) 7.058 6.799 ( -0.048 6.167 3.433) 7.058 7.365 ( -3.947 -1.347 -0.480) 4.199 7.365 ( -3.947 1.347 -0.480) 4.199 7.958 ( 8.294 -1.239 0.297) 8.391 7.958 ( 8.294 1.239 0.297) 8.391 8.146 ( -3.296 -3.134 0.180) 4.551 8.146 ( -3.296 3.134 0.180) 4.551 8.340 ( 5.332 -3.706 2.484) 6.952 8.340 ( 5.332 3.706 2.484) 6.952 9.101 ( -0.935 -1.813 0.732) 2.167 9.101 ( -0.935 1.813 0.732) 2.167 9.978 ( 4.056 -4.857 -1.281) 6.456 9.978 ( 4.056 4.857 -1.281) 6.456 10.363 ( 2.139 -2.634 -1.994) 3.936 10.363 ( 2.139 2.634 -1.994) 3.936 11.506 ( 2.535 -3.347 3.324) 5.355 11.506 ( 2.535 3.347 3.324) 5.355 12.164 ( -9.506 -0.466 -1.726) 9.673 12.164 ( -9.506 0.466 -1.726) 9.673 13.247 ( 1.428 -3.231 0.681) 3.598 13.247 ( 1.428 3.231 0.681) 3.598 13.895 ( -2.719 -2.447 -2.716) 4.557 13.895 ( -2.719 2.447 -2.716) 4.557 14.759 ( 2.721 -2.607 4.671) 6.001 14.759 ( 2.721 2.607 4.671) 6.001 15.915 ( 1.558 -0.796 -2.941) 3.422 15.915 ( 1.558 0.796 -2.941) 3.422 16.524 ( 3.157 -3.041 7.274) 8.493 16.524 ( 3.157 3.041 7.274) 8.493 17.484 ( -5.043 -10.690 -7.375) 13.932 17.484 ( -5.043 10.690 -7.375) 13.932 18.139 ( -0.582 -5.443 2.377) 5.968 18.139 ( -0.582 5.443 2.377) 5.968 21.887 ( -0.520 -0.227 -1.592) 1.690 21.887 ( -0.520 0.227 -1.592) 1.690 ======================= Grid point 351 (167/170) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.893 -6.975 5.894) 9.326 1.741 ( 1.893 6.975 5.894) 9.326 1.856 ( 3.554 -3.066 -3.606) 5.919 1.856 ( 3.554 3.066 -3.606) 5.919 2.216 ( 4.482 -5.022 1.759) 6.958 2.216 ( 4.482 5.022 1.759) 6.958 2.884 ( -0.413 -2.676 3.495) 4.421 2.884 ( -0.413 2.676 3.495) 4.421 2.961 ( -6.022 -10.617 3.935) 12.825 2.961 ( -6.022 10.617 3.935) 12.825 3.510 ( -1.897 -9.977 -4.501) 11.108 3.510 ( -1.897 9.977 -4.501) 11.108 4.158 ( -2.310 -1.077 -2.419) 3.514 4.158 ( -2.310 1.077 -2.419) 3.514 4.400 ( -4.078 -3.590 -6.248) 8.279 4.400 ( -4.078 3.590 -6.248) 8.279 4.774 ( -4.674 -2.541 4.110) 6.723 4.774 ( -4.674 2.541 4.110) 6.723 5.362 ( -1.626 -3.554 -2.940) 4.891 5.362 ( -1.626 3.554 -2.940) 4.891 6.138 ( 0.454 -0.799 1.106) 1.438 6.138 ( 0.454 0.799 1.106) 1.438 6.551 ( -0.325 -3.290 0.493) 3.343 6.551 ( -0.325 3.290 0.493) 3.343 6.855 ( 1.917 -7.078 3.678) 8.204 6.855 ( 1.917 7.078 3.678) 8.204 7.267 ( -6.651 -0.538 -1.343) 6.806 7.267 ( -6.651 0.538 -1.343) 6.806 8.040 ( 2.483 -4.544 -4.183) 6.657 8.040 ( 2.483 4.544 -4.183) 6.657 8.201 ( 7.265 -1.742 4.365) 8.653 8.201 ( 7.265 1.742 4.365) 8.653 8.443 ( 3.521 -8.030 2.945) 9.249 8.443 ( 3.521 8.030 2.945) 9.249 9.055 ( -4.534 -1.047 -0.662) 4.700 9.055 ( -4.534 1.047 -0.662) 4.700 10.075 ( 8.459 -5.148 -0.386) 9.910 10.075 ( 8.459 5.148 -0.386) 9.910 10.408 ( 6.150 -7.491 -0.853) 9.729 10.408 ( 6.150 7.491 -0.853) 9.729 11.587 ( 1.953 -5.060 3.077) 6.236 11.587 ( 1.953 5.060 3.077) 6.236 11.955 ( -12.102 -1.176 -2.186) 12.354 11.955 ( -12.102 1.176 -2.186) 12.354 13.276 ( 0.426 -4.955 1.320) 5.145 13.276 ( 0.426 4.955 1.320) 5.145 13.809 ( -3.249 -4.026 -3.157) 6.061 13.809 ( -3.249 4.026 -3.157) 6.061 14.886 ( 4.470 -3.928 7.214) 9.352 14.886 ( 4.470 3.928 7.214) 9.352 15.910 ( 2.070 -1.886 -3.164) 4.225 15.910 ( 2.070 1.886 -3.164) 4.225 16.692 ( 4.628 -4.727 10.752) 12.624 16.692 ( 4.628 4.727 10.752) 12.624 17.297 ( -3.628 -14.967 -12.076) 19.570 17.297 ( -3.628 14.967 -12.076) 19.570 18.129 ( -4.724 -7.021 2.878) 8.938 18.129 ( -4.724 7.021 2.878) 8.938 21.850 ( -1.070 -0.214 -2.734) 2.943 21.850 ( -1.070 0.214 -2.734) 2.943 ======================= Grid point 353 (168/170) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -1.968 -10.746 3.115) 11.360 1.780 ( -1.968 10.746 3.115) 11.360 1.915 ( 5.299 -1.942 -1.459) 5.829 1.915 ( 5.299 1.942 -1.459) 5.829 2.341 ( 7.112 -5.396 2.715) 9.331 2.341 ( 7.112 5.396 2.715) 9.331 2.770 ( -8.719 -4.874 -3.733) 10.664 2.770 ( -8.719 4.874 -3.733) 10.664 2.974 ( -1.943 -5.551 3.563) 6.876 2.974 ( -1.943 5.551 3.563) 6.876 3.495 ( 1.266 -9.246 4.641) 10.422 3.495 ( 1.266 9.246 4.641) 10.422 4.087 ( -2.508 -4.134 -1.968) 5.220 4.087 ( -2.508 4.134 -1.968) 5.220 4.242 ( -5.525 -0.703 -7.286) 9.171 4.242 ( -5.525 0.703 -7.286) 9.171 4.759 ( -3.041 -3.455 1.529) 4.850 4.759 ( -3.041 3.455 1.529) 4.850 5.279 ( -4.441 -1.973 -1.585) 5.111 5.279 ( -4.441 1.973 -1.585) 5.111 6.136 ( -1.317 -1.760 -1.217) 2.512 6.136 ( -1.317 1.760 -1.217) 2.512 6.584 ( 1.021 -4.406 4.800) 6.595 6.584 ( 1.021 4.406 4.800) 6.595 6.927 ( 2.696 -5.972 2.227) 6.920 6.927 ( 2.696 5.972 2.227) 6.920 7.134 ( -6.877 -1.539 -2.432) 7.455 7.134 ( -6.877 1.539 -2.432) 7.455 8.033 ( 1.449 -3.644 -1.591) 4.232 8.033 ( 1.449 3.644 -1.591) 4.232 8.316 ( 3.513 -0.542 -2.470) 4.329 8.316 ( 3.513 0.542 -2.470) 4.329 8.516 ( 1.664 -12.232 1.839) 12.481 8.516 ( 1.664 12.232 1.839) 12.481 8.991 ( -2.258 -1.546 1.753) 3.250 8.991 ( -2.258 1.546 1.753) 3.250 10.211 ( 8.311 -4.920 -0.019) 9.658 10.211 ( 8.311 4.920 -0.019) 9.658 10.542 ( 8.722 -12.802 2.245) 15.652 10.542 ( 8.722 12.802 2.245) 15.652 11.558 ( -8.664 -8.204 -1.661) 12.047 11.558 ( -8.664 8.204 -1.661) 12.047 11.821 ( -0.582 -4.124 0.144) 4.168 11.821 ( -0.582 4.124 0.144) 4.168 13.280 ( -1.969 -6.329 1.375) 6.769 13.280 ( -1.969 6.329 1.375) 6.769 13.744 ( -1.322 -4.095 -1.409) 4.528 13.744 ( -1.322 4.095 -1.409) 4.528 15.039 ( 4.306 -3.581 6.776) 8.791 15.039 ( 4.306 3.581 6.776) 8.791 15.916 ( 1.596 -3.648 -0.849) 4.071 15.916 ( 1.596 3.648 -0.849) 4.071 16.877 ( 3.233 -4.081 10.176) 11.431 16.877 ( 3.233 4.081 10.176) 11.431 17.143 ( 3.359 -14.556 -14.269) 20.658 17.143 ( 3.359 14.556 -14.269) 20.658 18.047 ( -9.329 -9.385 3.227) 13.621 18.047 ( -9.329 9.385 3.227) 13.621 21.797 ( -1.488 -0.271 -3.079) 3.430 21.797 ( -1.488 0.271 -3.079) 3.430 ======================= Grid point 355 (169/170) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -5.444 -6.416 1.993) 8.647 1.750 ( -5.444 6.416 1.993) 8.647 1.965 ( 4.093 -1.748 -3.113) 5.431 1.966 ( 4.093 1.748 -3.113) 5.431 2.389 ( -2.564 -6.285 -5.853) 8.963 2.389 ( -2.564 6.285 -5.853) 8.963 2.695 ( 2.788 -3.789 5.302) 7.088 2.695 ( 2.788 3.789 5.302) 7.088 2.953 ( -2.261 -4.621 -0.006) 5.144 2.953 ( -2.261 4.621 -0.006) 5.144 3.649 ( 5.075 -2.384 11.970) 13.218 3.649 ( 5.075 2.384 11.970) 13.218 4.041 ( -1.994 -10.295 0.007) 10.486 4.041 ( -1.994 10.295 0.007) 10.487 4.087 ( -3.569 -1.049 -7.021) 7.945 4.087 ( -3.569 1.049 -7.021) 7.945 4.687 ( -4.193 -5.267 -3.472) 7.575 4.687 ( -4.193 5.267 -3.472) 7.575 5.198 ( -4.336 -1.910 -0.271) 4.746 5.198 ( -4.336 1.910 -0.271) 4.746 6.071 ( -3.250 -2.212 -3.047) 4.974 6.071 ( -3.250 2.212 -3.047) 4.974 6.673 ( 1.006 -4.439 7.564) 8.828 6.673 ( 1.006 4.439 7.564) 8.828 6.962 ( -0.477 -5.088 -3.582) 6.240 6.962 ( -0.477 5.088 -3.582) 6.240 7.029 ( -1.531 -1.767 0.520) 2.395 7.029 ( -1.531 1.767 0.520) 2.395 8.055 ( 2.290 -3.499 -0.275) 4.191 8.055 ( 2.290 3.499 -0.275) 4.191 8.287 ( -1.289 -2.514 -3.296) 4.341 8.287 ( -1.289 2.514 -3.296) 4.341 8.510 ( -1.754 -10.925 -1.894) 11.226 8.510 ( -1.754 10.925 -1.894) 11.226 9.029 ( 1.723 -0.948 3.742) 4.228 9.029 ( 1.723 0.948 3.742) 4.228 10.340 ( 7.192 -3.896 0.387) 8.189 10.340 ( 7.192 3.896 0.387) 8.189 10.709 ( 7.207 -13.094 4.631) 15.647 10.709 ( 7.207 13.094 4.631) 15.647 11.345 ( -11.333 -8.572 -4.804) 14.999 11.345 ( -11.333 8.572 -4.804) 14.999 11.870 ( 3.906 -4.842 0.494) 6.240 11.870 ( 3.906 4.842 0.494) 6.240 13.248 ( -3.040 -6.341 0.901) 7.090 13.248 ( -3.040 6.341 0.901) 7.090 13.734 ( 0.393 -2.892 0.257) 2.930 13.734 ( 0.393 2.892 0.257) 2.930 15.150 ( 2.148 -1.964 3.647) 4.667 15.150 ( 2.148 1.964 3.647) 4.667 15.946 ( 1.140 -3.681 2.142) 4.409 15.946 ( 1.140 3.681 2.142) 4.409 16.991 ( 2.983 -4.846 2.223) 6.110 16.991 ( 2.983 4.846 2.223) 6.110 17.116 ( 7.515 -4.370 -8.208) 11.956 17.116 ( 7.515 4.370 -8.208) 11.956 17.914 ( -11.065 -10.810 3.586) 15.879 17.914 ( -11.065 10.810 3.586) 15.879 21.742 ( -1.383 -0.419 -2.440) 2.836 21.742 ( -1.383 0.419 -2.440) 2.836 ======================= Grid point 357 (170/170) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -3.881 -1.463 0.128) 4.150 1.673 ( -3.881 1.463 0.128) 4.150 1.983 ( 1.555 -1.127 -1.712) 2.573 1.983 ( 1.555 1.127 -1.712) 2.573 2.274 ( -2.407 -2.276 -2.986) 4.460 2.274 ( -2.407 2.276 -2.986) 4.460 2.836 ( 5.117 -2.056 2.703) 6.141 2.836 ( 5.117 2.056 2.703) 6.141 2.919 ( -2.364 -0.964 0.845) 2.689 2.919 ( -2.364 0.964 0.845) 2.689 3.830 ( 3.108 -3.775 4.069) 6.361 3.830 ( 3.108 3.775 4.069) 6.361 3.982 ( -2.882 -3.058 -0.266) 4.210 3.982 ( -2.882 3.058 -0.266) 4.210 4.051 ( 1.707 -8.895 1.444) 9.172 4.051 ( 1.707 8.895 1.444) 9.172 4.572 ( -3.084 -3.748 -4.498) 6.617 4.572 ( -3.084 3.748 -4.498) 6.617 5.142 ( -2.019 -1.113 -0.000) 2.305 5.142 ( -2.019 1.113 -0.000) 2.305 5.995 ( -1.927 -1.162 -1.711) 2.827 5.995 ( -1.927 1.162 -1.711) 2.827 6.766 ( 0.261 -4.440 7.149) 8.420 6.766 ( 0.261 4.440 7.149) 8.420 6.875 ( -1.036 -4.973 -6.257) 8.060 6.875 ( -1.036 4.973 -6.257) 8.060 7.053 ( 0.771 -1.309 0.920) 1.776 7.053 ( 0.771 1.309 0.920) 1.776 8.085 ( 1.266 -1.705 -0.287) 2.143 8.085 ( 1.266 1.705 -0.287) 2.143 8.246 ( -0.736 -1.801 -0.564) 2.026 8.246 ( -0.736 1.801 -0.564) 2.026 8.457 ( -1.530 -5.132 -1.423) 5.541 8.457 ( -1.530 5.132 -1.423) 5.541 9.084 ( 0.916 -0.303 1.437) 1.730 9.084 ( 0.916 0.303 1.437) 1.730 10.429 ( 2.958 -1.402 0.151) 3.277 10.429 ( 2.958 1.402 0.151) 3.277 10.886 ( 7.654 -9.530 6.295) 13.749 10.886 ( 7.654 9.530 6.295) 13.749 11.112 ( -9.672 -7.812 -6.292) 13.934 11.112 ( -9.672 7.812 -6.292) 13.934 11.924 ( 1.866 -2.237 0.115) 2.915 11.924 ( 1.866 2.237 0.115) 2.915 13.217 ( -1.388 -2.787 0.359) 3.134 13.217 ( -1.388 2.787 0.359) 3.134 13.746 ( 0.348 -1.067 0.313) 1.166 13.746 ( 0.348 1.067 0.313) 1.166 15.191 ( 0.378 -0.511 0.847) 1.059 15.191 ( 0.378 0.511 0.847) 1.059 15.984 ( 0.475 -1.456 1.605) 2.218 15.984 ( 0.475 1.456 1.605) 2.218 17.065 ( 5.053 -5.429 -0.308) 7.424 17.065 ( 5.054 5.429 -0.308) 7.424 17.132 ( 0.872 -0.514 -2.976) 3.143 17.132 ( 0.872 0.513 -2.976) 3.143 17.801 ( -5.669 -5.717 2.018) 8.300 17.801 ( -5.669 5.717 2.018) 8.300 21.707 ( -0.571 -0.210 -0.931) 1.112 21.707 ( -0.571 0.210 -0.931) 1.112 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31680 10.0 610.849 517.766 673.184 0.000 31.095 0.000 3/31680 20.0 86.463 79.778 78.140 0.000 8.162 0.000 3/31680 30.0 33.499 31.194 28.875 0.000 3.201 0.000 3/31680 40.0 18.752 17.437 15.908 0.000 1.900 0.000 3/31680 50.0 12.555 11.625 10.593 0.000 1.325 0.000 3/31680 60.0 9.292 8.566 7.828 0.000 0.998 0.000 3/31680 70.0 7.326 6.730 6.170 0.000 0.789 0.000 3/31680 80.0 6.034 5.528 5.080 0.000 0.646 0.000 3/31680 90.0 5.129 4.691 4.317 0.000 0.543 0.000 3/31680 100.0 4.465 4.077 3.755 0.000 0.467 0.000 3/31680 110.0 3.959 3.611 3.326 0.000 0.409 0.000 3/31680 120.0 3.560 3.245 2.988 0.000 0.363 0.000 3/31680 130.0 3.239 2.950 2.715 0.000 0.326 0.000 3/31680 140.0 2.974 2.708 2.491 0.000 0.295 0.000 3/31680 150.0 2.752 2.504 2.302 0.000 0.270 0.000 3/31680 160.0 2.563 2.331 2.142 0.000 0.249 0.000 3/31680 170.0 2.400 2.182 2.004 0.000 0.231 0.000 3/31680 180.0 2.257 2.053 1.884 0.000 0.215 0.000 3/31680 190.0 2.132 1.938 1.778 0.000 0.201 0.000 3/31680 200.0 2.020 1.837 1.685 0.000 0.189 0.000 3/31680 210.0 1.921 1.746 1.601 0.000 0.178 0.000 3/31680 220.0 1.831 1.664 1.526 0.000 0.169 0.000 3/31680 230.0 1.749 1.590 1.457 0.000 0.160 0.000 3/31680 240.0 1.675 1.522 1.395 0.000 0.152 0.000 3/31680 250.0 1.607 1.461 1.338 0.000 0.145 0.000 3/31680 260.0 1.544 1.404 1.286 0.000 0.139 0.000 3/31680 270.0 1.486 1.352 1.238 0.000 0.133 0.000 3/31680 280.0 1.433 1.303 1.194 0.000 0.128 0.000 3/31680 290.0 1.383 1.258 1.152 0.000 0.123 0.000 3/31680 300.0 1.337 1.216 1.114 0.000 0.118 0.000 3/31680 310.0 1.294 1.177 1.078 0.000 0.114 0.000 3/31680 320.0 1.254 1.140 1.044 0.000 0.110 0.000 3/31680 330.0 1.216 1.106 1.013 0.000 0.106 0.000 3/31680 340.0 1.180 1.074 0.983 0.000 0.103 0.000 3/31680 350.0 1.146 1.043 0.955 0.000 0.099 0.000 3/31680 360.0 1.115 1.014 0.929 0.000 0.096 0.000 3/31680 370.0 1.085 0.987 0.904 0.000 0.093 0.000 3/31680 380.0 1.056 0.961 0.880 0.000 0.091 0.000 3/31680 390.0 1.029 0.937 0.858 0.000 0.088 0.000 3/31680 400.0 1.004 0.914 0.837 0.000 0.086 0.000 3/31680 410.0 0.979 0.892 0.817 0.000 0.084 0.000 3/31680 420.0 0.956 0.871 0.797 0.000 0.081 0.000 3/31680 430.0 0.934 0.850 0.779 0.000 0.079 0.000 3/31680 440.0 0.913 0.831 0.761 0.000 0.077 0.000 3/31680 450.0 0.893 0.813 0.745 0.000 0.076 0.000 3/31680 460.0 0.873 0.795 0.729 0.000 0.074 0.000 3/31680 470.0 0.855 0.779 0.713 0.000 0.072 0.000 3/31680 480.0 0.837 0.763 0.698 0.000 0.071 0.000 3/31680 490.0 0.820 0.747 0.684 0.000 0.069 0.000 3/31680 500.0 0.804 0.732 0.671 0.000 0.068 0.000 3/31680 510.0 0.788 0.718 0.658 0.000 0.066 0.000 3/31680 520.0 0.773 0.704 0.645 0.000 0.065 0.000 3/31680 530.0 0.759 0.691 0.633 0.000 0.064 0.000 3/31680 540.0 0.745 0.679 0.622 0.000 0.062 0.000 3/31680 550.0 0.731 0.666 0.610 0.000 0.061 0.000 3/31680 560.0 0.718 0.655 0.600 0.000 0.060 0.000 3/31680 570.0 0.706 0.643 0.589 0.000 0.059 0.000 3/31680 580.0 0.694 0.632 0.579 0.000 0.058 0.000 3/31680 590.0 0.682 0.621 0.569 0.000 0.057 0.000 3/31680 600.0 0.671 0.611 0.560 0.000 0.056 0.000 3/31680 610.0 0.660 0.601 0.551 0.000 0.055 0.000 3/31680 620.0 0.649 0.592 0.542 0.000 0.054 0.000 3/31680 630.0 0.639 0.582 0.533 0.000 0.053 0.000 3/31680 640.0 0.629 0.573 0.525 0.000 0.052 0.000 3/31680 650.0 0.619 0.564 0.517 0.000 0.051 0.000 3/31680 660.0 0.610 0.556 0.509 0.000 0.051 0.000 3/31680 670.0 0.601 0.548 0.502 0.000 0.050 0.000 3/31680 680.0 0.592 0.540 0.494 0.000 0.049 0.000 3/31680 690.0 0.584 0.532 0.487 0.000 0.048 0.000 3/31680 700.0 0.575 0.524 0.480 0.000 0.048 0.000 3/31680 710.0 0.567 0.517 0.474 0.000 0.047 0.000 3/31680 720.0 0.559 0.510 0.467 0.000 0.046 0.000 3/31680 730.0 0.552 0.503 0.461 0.000 0.046 0.000 3/31680 740.0 0.544 0.496 0.455 0.000 0.045 0.000 3/31680 750.0 0.537 0.490 0.449 0.000 0.044 0.000 3/31680 760.0 0.530 0.483 0.443 0.000 0.044 0.000 3/31680 770.0 0.523 0.477 0.437 0.000 0.043 0.000 3/31680 780.0 0.516 0.471 0.431 0.000 0.043 0.000 3/31680 790.0 0.510 0.465 0.426 0.000 0.042 0.000 3/31680 800.0 0.504 0.459 0.421 0.000 0.041 0.000 3/31680 810.0 0.497 0.454 0.416 0.000 0.041 0.000 3/31680 820.0 0.491 0.448 0.411 0.000 0.040 0.000 3/31680 830.0 0.485 0.443 0.406 0.000 0.040 0.000 3/31680 840.0 0.480 0.437 0.401 0.000 0.039 0.000 3/31680 850.0 0.474 0.432 0.396 0.000 0.039 0.000 3/31680 860.0 0.469 0.427 0.392 0.000 0.038 0.000 3/31680 870.0 0.463 0.422 0.387 0.000 0.038 0.000 3/31680 880.0 0.458 0.418 0.383 0.000 0.038 0.000 3/31680 890.0 0.453 0.413 0.378 0.000 0.037 0.000 3/31680 900.0 0.448 0.408 0.374 0.000 0.037 0.000 3/31680 910.0 0.443 0.404 0.370 0.000 0.036 0.000 3/31680 920.0 0.438 0.400 0.366 0.000 0.036 0.000 3/31680 930.0 0.433 0.395 0.362 0.000 0.036 0.000 3/31680 940.0 0.429 0.391 0.358 0.000 0.035 0.000 3/31680 950.0 0.424 0.387 0.355 0.000 0.035 0.000 3/31680 960.0 0.420 0.383 0.351 0.000 0.034 0.000 3/31680 970.0 0.416 0.379 0.347 0.000 0.034 0.000 3/31680 980.0 0.411 0.375 0.344 0.000 0.034 0.000 3/31680 990.0 0.407 0.371 0.340 0.000 0.033 0.000 3/31680 1000.0 0.403 0.368 0.337 0.000 0.033 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1186.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:18:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|