----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:39:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-6 (174) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.849995369798279 0.000000000000000 0.000000000000000 b -4.924997684899139 8.530346217404405 0.000000000000000 c 0.000000000000000 0.000000000000000 3.948518680000000 Atomic positions (fractional): *1 H 0.43787976567621 0.88001986208517 0.50000000000000 1.008 2 H 0.44214009640896 0.56212023432379 0.50000000000000 1.008 3 H 0.11998013791483 0.55785990359104 0.50000000000000 1.008 *4 H 0.94479042467125 0.22622780648509 0.50000000000000 1.008 5 H 0.28143738181384 0.05520957532875 0.50000000000000 1.008 6 H 0.77377219351491 0.71856261818616 0.50000000000000 1.008 *7 H 0.60905434334755 0.79001123176738 0.00000000000000 1.008 8 H 0.18095688841983 0.39094565665245 0.00000000000000 1.008 9 H 0.20998876823262 0.81904311158017 0.00000000000000 1.008 *10 H 0.90952985860935 0.60478557281743 0.00000000000000 1.008 11 H 0.39521442718257 0.30474428579192 0.00000000000000 1.008 12 H 0.69525571420808 0.09047014139065 0.00000000000000 1.008 *13 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 *14 Br 0.66666666666667 0.33333333333333 0.50000000000000 79.904 *15 Sr 0.05009687775709 0.77652822414945 0.50000000000000 87.620 *16 Sr 0.92577486099575 0.35939032096760 0.00000000000000 87.620 17 Sr 0.43361545997185 0.07422513900425 0.00000000000000 87.620 18 Sr 0.64060967903240 0.56638454002815 0.00000000000000 87.620 *19 Sr 0.33333333333333 0.66666666666667 0.00000000000000 87.620 20 Sr 0.22347177585055 0.27356865360764 0.50000000000000 87.620 21 Sr 0.72643134639236 0.94990312224291 0.50000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.849995369798279 0.000000000000000 0.000000000000000 b -4.924997684899139 8.530346217404405 0.000000000000000 c 0.000000000000000 0.000000000000000 3.948518680000000 Atomic positions (fractional): *1 H 0.43787976567621 0.88001986208517 0.50000000000000 1.008 > 1 2 H 0.44214009640896 0.56212023432379 0.50000000000000 1.008 > 2 3 H 0.11998013791483 0.55785990359104 0.50000000000000 1.008 > 3 *4 H 0.94479042467125 0.22622780648509 0.50000000000000 1.008 > 4 5 H 0.28143738181384 0.05520957532875 0.50000000000000 1.008 > 5 6 H 0.77377219351491 0.71856261818616 0.50000000000000 1.008 > 6 *7 H 0.60905434334755 0.79001123176738 0.00000000000000 1.008 > 7 8 H 0.18095688841983 0.39094565665245 0.00000000000000 1.008 > 8 9 H 0.20998876823262 0.81904311158017 0.00000000000000 1.008 > 9 *10 H 0.90952985860935 0.60478557281743 0.00000000000000 1.008 > 10 11 H 0.39521442718257 0.30474428579192 0.00000000000000 1.008 > 11 12 H 0.69525571420808 0.09047014139065 0.00000000000000 1.008 > 12 *13 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 13 *14 Br 0.66666666666667 0.33333333333333 0.50000000000000 79.904 > 14 *15 Sr 0.05009687775709 0.77652822414945 0.50000000000000 87.620 > 15 *16 Sr 0.92577486099575 0.35939032096760 0.00000000000000 87.620 > 16 17 Sr 0.43361545997185 0.07422513900425 0.00000000000000 87.620 > 17 18 Sr 0.64060967903240 0.56638454002815 0.00000000000000 87.620 > 18 *19 Sr 0.33333333333333 0.66666666666667 0.00000000000000 87.620 > 19 20 Sr 0.22347177585055 0.27356865360764 0.50000000000000 87.620 > 20 21 Sr 0.72643134639236 0.94990312224291 0.50000000000000 87.620 > 21 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.849995369798279 0.000000000000000 0.000000000000000 b -4.924997684899139 8.530346217404405 0.000000000000000 c 0.000000000000000 0.000000000000000 11.845556040000000 Atomic positions (fractional): *1 H 0.43787976567621 0.88001986208517 0.16666666666667 1.008 > 1 2 H 0.43787976567621 0.88001986208517 0.50000000000000 1.008 > 1 3 H 0.43787976567621 0.88001986208517 0.83333333333333 1.008 > 1 4 H 0.44214009640896 0.56212023432379 0.16666666666667 1.008 > 2 5 H 0.44214009640896 0.56212023432379 0.50000000000000 1.008 > 2 6 H 0.44214009640896 0.56212023432379 0.83333333333333 1.008 > 2 7 H 0.11998013791483 0.55785990359104 0.16666666666667 1.008 > 3 8 H 0.11998013791483 0.55785990359104 0.50000000000000 1.008 > 3 9 H 0.11998013791483 0.55785990359104 0.83333333333333 1.008 > 3 *10 H 0.94479042467125 0.22622780648509 0.16666666666667 1.008 > 4 11 H 0.94479042467125 0.22622780648509 0.50000000000000 1.008 > 4 12 H 0.94479042467125 0.22622780648509 0.83333333333333 1.008 > 4 13 H 0.28143738181384 0.05520957532875 0.16666666666667 1.008 > 5 14 H 0.28143738181384 0.05520957532875 0.50000000000000 1.008 > 5 15 H 0.28143738181384 0.05520957532875 0.83333333333333 1.008 > 5 16 H 0.77377219351491 0.71856261818616 0.16666666666667 1.008 > 6 17 H 0.77377219351491 0.71856261818616 0.50000000000000 1.008 > 6 18 H 0.77377219351491 0.71856261818616 0.83333333333333 1.008 > 6 *19 H 0.60905434334755 0.79001123176738 0.00000000000000 1.008 > 7 20 H 0.60905434334755 0.79001123176738 0.33333333333333 1.008 > 7 21 H 0.60905434334755 0.79001123176738 0.66666666666667 1.008 > 7 22 H 0.18095688841983 0.39094565665245 0.00000000000000 1.008 > 8 23 H 0.18095688841983 0.39094565665245 0.33333333333333 1.008 > 8 24 H 0.18095688841983 0.39094565665245 0.66666666666667 1.008 > 8 25 H 0.20998876823262 0.81904311158017 0.00000000000000 1.008 > 9 26 H 0.20998876823262 0.81904311158017 0.33333333333333 1.008 > 9 27 H 0.20998876823262 0.81904311158017 0.66666666666667 1.008 > 9 *28 H 0.90952985860935 0.60478557281743 0.00000000000000 1.008 > 10 29 H 0.90952985860935 0.60478557281743 0.33333333333333 1.008 > 10 30 H 0.90952985860935 0.60478557281743 0.66666666666667 1.008 > 10 31 H 0.39521442718257 0.30474428579192 0.00000000000000 1.008 > 11 32 H 0.39521442718257 0.30474428579192 0.33333333333333 1.008 > 11 33 H 0.39521442718257 0.30474428579192 0.66666666666667 1.008 > 11 34 H 0.69525571420808 0.09047014139065 0.00000000000000 1.008 > 12 35 H 0.69525571420808 0.09047014139065 0.33333333333333 1.008 > 12 36 H 0.69525571420808 0.09047014139065 0.66666666666667 1.008 > 12 *37 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 13 38 Br 0.00000000000000 0.00000000000000 0.33333333333333 79.904 > 13 39 Br 0.00000000000000 0.00000000000000 0.66666666666667 79.904 > 13 *40 Br 0.66666666666667 0.33333333333333 0.16666666666667 79.904 > 14 41 Br 0.66666666666667 0.33333333333333 0.50000000000000 79.904 > 14 42 Br 0.66666666666667 0.33333333333333 0.83333333333333 79.904 > 14 *43 Sr 0.05009687775709 0.77652822414945 0.16666666666667 87.620 > 15 44 Sr 0.05009687775709 0.77652822414945 0.50000000000000 87.620 > 15 45 Sr 0.05009687775709 0.77652822414945 0.83333333333333 87.620 > 15 *46 Sr 0.92577486099575 0.35939032096760 0.00000000000000 87.620 > 16 47 Sr 0.92577486099575 0.35939032096760 0.33333333333333 87.620 > 16 48 Sr 0.92577486099575 0.35939032096760 0.66666666666667 87.620 > 16 49 Sr 0.43361545997185 0.07422513900425 0.00000000000000 87.620 > 17 50 Sr 0.43361545997185 0.07422513900425 0.33333333333333 87.620 > 17 51 Sr 0.43361545997185 0.07422513900425 0.66666666666667 87.620 > 17 52 Sr 0.64060967903240 0.56638454002815 0.00000000000000 87.620 > 18 53 Sr 0.64060967903240 0.56638454002815 0.33333333333333 87.620 > 18 54 Sr 0.64060967903240 0.56638454002815 0.66666666666667 87.620 > 18 *55 Sr 0.33333333333333 0.66666666666667 0.00000000000000 87.620 > 19 56 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 19 57 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 19 58 Sr 0.22347177585055 0.27356865360764 0.16666666666667 87.620 > 20 59 Sr 0.22347177585055 0.27356865360764 0.50000000000000 87.620 > 20 60 Sr 0.22347177585055 0.27356865360764 0.83333333333333 87.620 > 20 61 Sr 0.72643134639236 0.94990312224291 0.16666666666667 87.620 > 21 62 Sr 0.72643134639236 0.94990312224291 0.50000000000000 87.620 > 21 63 Sr 0.72643134639236 0.94990312224291 0.83333333333333 87.620 > 21 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3893732 -0.0000002 0.0000000 0.0000002 4.3893732 0.0000000 0.0000000 0.0000000 4.2340118 -------------------------- Born effective charges -------------------------- 1 H -0.9572840 0.0313287 0.0000000 0.0104611 -1.0032340 0.0000000 0.0000000 0.0000000 -1.0458898 2 H -1.0098420 0.0198832 0.0000000 -0.0009844 -0.9506760 0.0000000 0.0000000 0.0000000 -1.0458898 3 H -0.9736509 -0.0199106 0.0000000 -0.0407781 -0.9868671 0.0000000 0.0000000 0.0000000 -1.0458898 4 H -0.9689439 0.0236015 0.0000000 0.0222486 -0.9795225 0.0000000 0.0000000 0.0000000 -0.9352040 5 H -0.9967315 -0.0062054 0.0000000 -0.0075583 -0.9517349 0.0000000 0.0000000 0.0000000 -0.9352040 6 H -0.9570241 -0.0153668 0.0000000 -0.0167196 -0.9914422 0.0000000 0.0000000 0.0000000 -0.9352040 7 H -0.9445974 -0.0188377 0.0000000 -0.0329431 -0.9995711 0.0000000 0.0000000 0.0000000 -0.9011307 8 H -0.9634059 0.0438023 0.0000000 0.0296968 -0.9807626 0.0000000 0.0000000 0.0000000 -0.9011307 9 H -1.0082494 -0.0038064 0.0000000 -0.0179118 -0.9359190 0.0000000 0.0000000 0.0000000 -0.9011307 10 H -1.0236439 -0.0275762 0.0000000 -0.0047512 -1.0278769 0.0000000 0.0000000 0.0000000 -0.9262133 11 H -1.0408168 -0.0051636 0.0000000 0.0176614 -1.0107039 0.0000000 0.0000000 0.0000000 -0.9262133 12 H -1.0128205 -0.0014977 0.0000000 0.0213274 -1.0387003 0.0000000 0.0000000 0.0000000 -0.9262133 13 Br -1.2638548 0.0046539 0.0000000 -0.0046539 -1.2638548 0.0000000 0.0000000 0.0000000 -1.3626686 14 Br -1.2119067 -0.0197328 0.0000000 0.0197328 -1.2119067 0.0000000 0.0000000 0.0000000 -1.3501871 15 Sr 2.0999328 -0.0035781 0.0000000 -0.0044257 2.0579357 0.0000000 0.0000000 0.0000000 2.0845121 16 Sr 2.1240167 0.0382886 0.0000000 -0.0346536 1.9943038 0.0000000 0.0000000 0.0000000 2.0047197 17 Sr 2.0251580 0.0917297 0.0000000 0.0187875 2.0931625 0.0000000 0.0000000 0.0000000 2.0047197 18 Sr 2.0283060 -0.0206050 0.0000000 -0.0935472 2.0900145 0.0000000 0.0000000 0.0000000 2.0047197 19 Sr 1.9184884 -0.1158571 0.0000000 0.1158571 1.9184884 0.0000000 0.0000000 0.0000000 1.8704737 20 Sr 2.0649692 -0.0157606 0.0000000 -0.0166082 2.0928993 0.0000000 0.0000000 0.0000000 2.0845121 21 Sr 2.0719007 0.0206100 0.0000000 0.0197625 2.0859678 0.0000000 0.0000000 0.0000000 2.0845121 ---------------------------------------------------------------------------- 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: 189/189 Permutation basis: 6111/6111 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 486 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 606 Use submatrix version of eigh solver. (1) Block: 500 / 606 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 606 / 606 (1) 89 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1018), data: False |-- (162, 153), data: True |-- (288, 288), data: True |-- (606, 577), data: False |-- (606, 17), data: (606, 46) @ (46, 17) |-- (106, 89), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 63 / 63 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 0.617 Solver_block: 200 / 480 - Time: 0.619 Solver_block: 300 / 480 - Time: 0.620 Solver_block: 400 / 480 - Time: 0.619 Solver_block: 480 / 480 - Time: 0.508 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.012 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 189/189 Permutation basis: 6111/6111 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1056 Number of blocks in projector: 486 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 606 Use submatrix version of eigh solver. (1) Block: 500 / 606 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 606 / 606 (1) 89 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1056, 1018), data: False |-- (162, 153), data: True |-- (288, 288), data: True |-- (606, 577), data: False |-- (606, 17), data: (606, 46) @ (46, 17) |-- (106, 89), data: True |-- (500, 471), data: False |-- (500, 29), data: (500, 58) @ (58, 29) |-- (250, 221), data: True |-- (250, 221), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 05:39:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:39:49]------------------------- 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): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-6 (174) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.849995369798279 0.000000000000000 0.000000000000000 b -4.924997684899139 8.530346217404405 0.000000000000000 c 0.000000000000000 0.000000000000000 3.948518680000000 Atomic positions (fractional): 1 H 0.43787976567621 0.88001986208517 0.50000000000000 1.008 2 H 0.44214009640896 0.56212023432379 0.50000000000000 1.008 3 H 0.11998013791483 0.55785990359104 0.50000000000000 1.008 4 H 0.94479042467125 0.22622780648509 0.50000000000000 1.008 5 H 0.28143738181384 0.05520957532875 0.50000000000000 1.008 6 H 0.77377219351491 0.71856261818616 0.50000000000000 1.008 7 H 0.60905434334755 0.79001123176738 0.00000000000000 1.008 8 H 0.18095688841983 0.39094565665245 0.00000000000000 1.008 9 H 0.20998876823262 0.81904311158017 0.00000000000000 1.008 10 H 0.90952985860935 0.60478557281743 0.00000000000000 1.008 11 H 0.39521442718257 0.30474428579192 0.00000000000000 1.008 12 H 0.69525571420808 0.09047014139065 0.00000000000000 1.008 13 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 14 Br 0.66666666666667 0.33333333333333 0.50000000000000 79.904 15 Sr 0.05009687775709 0.77652822414945 0.50000000000000 87.620 16 Sr 0.92577486099575 0.35939032096760 0.00000000000000 87.620 17 Sr 0.43361545997185 0.07422513900425 0.00000000000000 87.620 18 Sr 0.64060967903240 0.56638454002815 0.00000000000000 87.620 19 Sr 0.33333333333333 0.66666666666667 0.00000000000000 87.620 20 Sr 0.22347177585055 0.27356865360764 0.50000000000000 87.620 21 Sr 0.72643134639236 0.94990312224291 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.849995369798279 0.000000000000000 0.000000000000000 b -4.924997684899139 8.530346217404405 0.000000000000000 c 0.000000000000000 0.000000000000000 11.845556040000000 Atomic positions (fractional): 1 H 0.43787976567621 0.88001986208517 0.16666666666667 1.008 > 1 2 H 0.43787976567621 0.88001986208517 0.50000000000000 1.008 > 1 3 H 0.43787976567621 0.88001986208517 0.83333333333333 1.008 > 1 4 H 0.44214009640896 0.56212023432379 0.16666666666667 1.008 > 4 5 H 0.44214009640896 0.56212023432379 0.50000000000000 1.008 > 4 6 H 0.44214009640896 0.56212023432379 0.83333333333333 1.008 > 4 7 H 0.11998013791483 0.55785990359104 0.16666666666667 1.008 > 7 8 H 0.11998013791483 0.55785990359104 0.50000000000000 1.008 > 7 9 H 0.11998013791483 0.55785990359104 0.83333333333333 1.008 > 7 10 H 0.94479042467125 0.22622780648509 0.16666666666667 1.008 > 10 11 H 0.94479042467125 0.22622780648509 0.50000000000000 1.008 > 10 12 H 0.94479042467125 0.22622780648509 0.83333333333333 1.008 > 10 13 H 0.28143738181384 0.05520957532875 0.16666666666667 1.008 > 13 14 H 0.28143738181384 0.05520957532875 0.50000000000000 1.008 > 13 15 H 0.28143738181384 0.05520957532875 0.83333333333333 1.008 > 13 16 H 0.77377219351491 0.71856261818616 0.16666666666667 1.008 > 16 17 H 0.77377219351491 0.71856261818616 0.50000000000000 1.008 > 16 18 H 0.77377219351491 0.71856261818616 0.83333333333333 1.008 > 16 19 H 0.60905434334755 0.79001123176738 0.00000000000000 1.008 > 19 20 H 0.60905434334755 0.79001123176738 0.33333333333333 1.008 > 19 21 H 0.60905434334755 0.79001123176738 0.66666666666667 1.008 > 19 22 H 0.18095688841983 0.39094565665245 0.00000000000000 1.008 > 22 23 H 0.18095688841983 0.39094565665245 0.33333333333333 1.008 > 22 24 H 0.18095688841983 0.39094565665245 0.66666666666667 1.008 > 22 25 H 0.20998876823262 0.81904311158017 0.00000000000000 1.008 > 25 26 H 0.20998876823262 0.81904311158017 0.33333333333333 1.008 > 25 27 H 0.20998876823262 0.81904311158017 0.66666666666667 1.008 > 25 28 H 0.90952985860935 0.60478557281743 0.00000000000000 1.008 > 28 29 H 0.90952985860935 0.60478557281743 0.33333333333333 1.008 > 28 30 H 0.90952985860935 0.60478557281743 0.66666666666667 1.008 > 28 31 H 0.39521442718257 0.30474428579192 0.00000000000000 1.008 > 31 32 H 0.39521442718257 0.30474428579192 0.33333333333333 1.008 > 31 33 H 0.39521442718257 0.30474428579192 0.66666666666667 1.008 > 31 34 H 0.69525571420808 0.09047014139065 0.00000000000000 1.008 > 34 35 H 0.69525571420808 0.09047014139065 0.33333333333333 1.008 > 34 36 H 0.69525571420808 0.09047014139065 0.66666666666667 1.008 > 34 37 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 37 38 Br 0.00000000000000 0.00000000000000 0.33333333333333 79.904 > 37 39 Br 0.00000000000000 0.00000000000000 0.66666666666667 79.904 > 37 40 Br 0.66666666666667 0.33333333333333 0.16666666666667 79.904 > 40 41 Br 0.66666666666667 0.33333333333333 0.50000000000000 79.904 > 40 42 Br 0.66666666666667 0.33333333333333 0.83333333333333 79.904 > 40 43 Sr 0.05009687775709 0.77652822414945 0.16666666666667 87.620 > 43 44 Sr 0.05009687775709 0.77652822414945 0.50000000000000 87.620 > 43 45 Sr 0.05009687775709 0.77652822414945 0.83333333333333 87.620 > 43 46 Sr 0.92577486099575 0.35939032096760 0.00000000000000 87.620 > 46 47 Sr 0.92577486099575 0.35939032096760 0.33333333333333 87.620 > 46 48 Sr 0.92577486099575 0.35939032096760 0.66666666666667 87.620 > 46 49 Sr 0.43361545997185 0.07422513900425 0.00000000000000 87.620 > 49 50 Sr 0.43361545997185 0.07422513900425 0.33333333333333 87.620 > 49 51 Sr 0.43361545997185 0.07422513900425 0.66666666666667 87.620 > 49 52 Sr 0.64060967903240 0.56638454002815 0.00000000000000 87.620 > 52 53 Sr 0.64060967903240 0.56638454002815 0.33333333333333 87.620 > 52 54 Sr 0.64060967903240 0.56638454002815 0.66666666666667 87.620 > 52 55 Sr 0.33333333333333 0.66666666666667 0.00000000000000 87.620 > 55 56 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 55 57 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 55 58 Sr 0.22347177585055 0.27356865360764 0.16666666666667 87.620 > 58 59 Sr 0.22347177585055 0.27356865360764 0.50000000000000 87.620 > 58 60 Sr 0.22347177585055 0.27356865360764 0.83333333333333 87.620 > 58 61 Sr 0.72643134639236 0.94990312224291 0.16666666666667 87.620 > 61 62 Sr 0.72643134639236 0.94990312224291 0.50000000000000 87.620 > 61 63 Sr 0.72643134639236 0.94990312224291 0.83333333333333 87.620 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3893732 -0.0000002 0.0000000 0.0000002 4.3893732 0.0000000 0.0000000 0.0000000 4.2340118 -------------------------- Born effective charges -------------------------- 1 H -0.9572840 0.0313287 0.0000000 0.0104611 -1.0032340 0.0000000 0.0000000 0.0000000 -1.0458898 2 H -1.0098420 0.0198832 0.0000000 -0.0009844 -0.9506760 0.0000000 0.0000000 0.0000000 -1.0458898 3 H -0.9736509 -0.0199106 0.0000000 -0.0407781 -0.9868671 0.0000000 0.0000000 0.0000000 -1.0458898 4 H -0.9689439 0.0236015 0.0000000 0.0222486 -0.9795225 0.0000000 0.0000000 0.0000000 -0.9352040 5 H -0.9967315 -0.0062054 0.0000000 -0.0075583 -0.9517349 0.0000000 0.0000000 0.0000000 -0.9352040 6 H -0.9570241 -0.0153668 0.0000000 -0.0167196 -0.9914422 0.0000000 0.0000000 0.0000000 -0.9352040 7 H -0.9445974 -0.0188377 0.0000000 -0.0329431 -0.9995711 0.0000000 0.0000000 0.0000000 -0.9011307 8 H -0.9634059 0.0438023 0.0000000 0.0296968 -0.9807626 0.0000000 0.0000000 0.0000000 -0.9011307 9 H -1.0082494 -0.0038064 0.0000000 -0.0179118 -0.9359190 0.0000000 0.0000000 0.0000000 -0.9011307 10 H -1.0236439 -0.0275762 0.0000000 -0.0047512 -1.0278769 0.0000000 0.0000000 0.0000000 -0.9262133 11 H -1.0408168 -0.0051636 0.0000000 0.0176614 -1.0107039 0.0000000 0.0000000 0.0000000 -0.9262133 12 H -1.0128205 -0.0014977 0.0000000 0.0213274 -1.0387003 0.0000000 0.0000000 0.0000000 -0.9262133 13 Br -1.2638548 0.0046539 0.0000000 -0.0046539 -1.2638548 0.0000000 0.0000000 0.0000000 -1.3626686 14 Br -1.2119067 -0.0197328 0.0000000 0.0197328 -1.2119067 0.0000000 0.0000000 0.0000000 -1.3501871 15 Sr 2.0999328 -0.0035781 0.0000000 -0.0044257 2.0579357 0.0000000 0.0000000 0.0000000 2.0845121 16 Sr 2.1240167 0.0382886 0.0000000 -0.0346536 1.9943038 0.0000000 0.0000000 0.0000000 2.0047197 17 Sr 2.0251580 0.0917297 0.0000000 0.0187875 2.0931625 0.0000000 0.0000000 0.0000000 2.0047197 18 Sr 2.0283060 -0.0206050 0.0000000 -0.0935472 2.0900145 0.0000000 0.0000000 0.0000000 2.0047197 19 Sr 1.9184884 -0.1158571 0.0000000 0.1158571 1.9184884 0.0000000 0.0000000 0.0000000 1.8704737 20 Sr 2.0649692 -0.0157606 0.0000000 -0.0166082 2.0928993 0.0000000 0.0000000 0.0000000 2.0845121 21 Sr 2.0719007 0.0206100 0.0000000 0.0197625 2.0859678 0.0000000 0.0000000 0.0000000 2.0845121 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 10, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 05:39:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:40:00]------------------------- 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): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-6 (174) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.849995369798279 0.000000000000000 0.000000000000000 b -4.924997684899139 8.530346217404405 0.000000000000000 c 0.000000000000000 0.000000000000000 3.948518680000000 Atomic positions (fractional): 1 H 0.43787976567621 0.88001986208517 0.50000000000000 1.008 2 H 0.44214009640896 0.56212023432379 0.50000000000000 1.008 3 H 0.11998013791483 0.55785990359104 0.50000000000000 1.008 4 H 0.94479042467125 0.22622780648509 0.50000000000000 1.008 5 H 0.28143738181384 0.05520957532875 0.50000000000000 1.008 6 H 0.77377219351491 0.71856261818616 0.50000000000000 1.008 7 H 0.60905434334755 0.79001123176738 0.00000000000000 1.008 8 H 0.18095688841983 0.39094565665245 0.00000000000000 1.008 9 H 0.20998876823262 0.81904311158017 0.00000000000000 1.008 10 H 0.90952985860935 0.60478557281743 0.00000000000000 1.008 11 H 0.39521442718257 0.30474428579192 0.00000000000000 1.008 12 H 0.69525571420808 0.09047014139065 0.00000000000000 1.008 13 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 14 Br 0.66666666666667 0.33333333333333 0.50000000000000 79.904 15 Sr 0.05009687775709 0.77652822414945 0.50000000000000 87.620 16 Sr 0.92577486099575 0.35939032096760 0.00000000000000 87.620 17 Sr 0.43361545997185 0.07422513900425 0.00000000000000 87.620 18 Sr 0.64060967903240 0.56638454002815 0.00000000000000 87.620 19 Sr 0.33333333333333 0.66666666666667 0.00000000000000 87.620 20 Sr 0.22347177585055 0.27356865360764 0.50000000000000 87.620 21 Sr 0.72643134639236 0.94990312224291 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.849995369798279 0.000000000000000 0.000000000000000 b -4.924997684899139 8.530346217404405 0.000000000000000 c 0.000000000000000 0.000000000000000 11.845556040000000 Atomic positions (fractional): 1 H 0.43787976567621 0.88001986208517 0.16666666666667 1.008 > 1 2 H 0.43787976567621 0.88001986208517 0.50000000000000 1.008 > 1 3 H 0.43787976567621 0.88001986208517 0.83333333333333 1.008 > 1 4 H 0.44214009640896 0.56212023432379 0.16666666666667 1.008 > 4 5 H 0.44214009640896 0.56212023432379 0.50000000000000 1.008 > 4 6 H 0.44214009640896 0.56212023432379 0.83333333333333 1.008 > 4 7 H 0.11998013791483 0.55785990359104 0.16666666666667 1.008 > 7 8 H 0.11998013791483 0.55785990359104 0.50000000000000 1.008 > 7 9 H 0.11998013791483 0.55785990359104 0.83333333333333 1.008 > 7 10 H 0.94479042467125 0.22622780648509 0.16666666666667 1.008 > 10 11 H 0.94479042467125 0.22622780648509 0.50000000000000 1.008 > 10 12 H 0.94479042467125 0.22622780648509 0.83333333333333 1.008 > 10 13 H 0.28143738181384 0.05520957532875 0.16666666666667 1.008 > 13 14 H 0.28143738181384 0.05520957532875 0.50000000000000 1.008 > 13 15 H 0.28143738181384 0.05520957532875 0.83333333333333 1.008 > 13 16 H 0.77377219351491 0.71856261818616 0.16666666666667 1.008 > 16 17 H 0.77377219351491 0.71856261818616 0.50000000000000 1.008 > 16 18 H 0.77377219351491 0.71856261818616 0.83333333333333 1.008 > 16 19 H 0.60905434334755 0.79001123176738 0.00000000000000 1.008 > 19 20 H 0.60905434334755 0.79001123176738 0.33333333333333 1.008 > 19 21 H 0.60905434334755 0.79001123176738 0.66666666666667 1.008 > 19 22 H 0.18095688841983 0.39094565665245 0.00000000000000 1.008 > 22 23 H 0.18095688841983 0.39094565665245 0.33333333333333 1.008 > 22 24 H 0.18095688841983 0.39094565665245 0.66666666666667 1.008 > 22 25 H 0.20998876823262 0.81904311158017 0.00000000000000 1.008 > 25 26 H 0.20998876823262 0.81904311158017 0.33333333333333 1.008 > 25 27 H 0.20998876823262 0.81904311158017 0.66666666666667 1.008 > 25 28 H 0.90952985860935 0.60478557281743 0.00000000000000 1.008 > 28 29 H 0.90952985860935 0.60478557281743 0.33333333333333 1.008 > 28 30 H 0.90952985860935 0.60478557281743 0.66666666666667 1.008 > 28 31 H 0.39521442718257 0.30474428579192 0.00000000000000 1.008 > 31 32 H 0.39521442718257 0.30474428579192 0.33333333333333 1.008 > 31 33 H 0.39521442718257 0.30474428579192 0.66666666666667 1.008 > 31 34 H 0.69525571420808 0.09047014139065 0.00000000000000 1.008 > 34 35 H 0.69525571420808 0.09047014139065 0.33333333333333 1.008 > 34 36 H 0.69525571420808 0.09047014139065 0.66666666666667 1.008 > 34 37 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 37 38 Br 0.00000000000000 0.00000000000000 0.33333333333333 79.904 > 37 39 Br 0.00000000000000 0.00000000000000 0.66666666666667 79.904 > 37 40 Br 0.66666666666667 0.33333333333333 0.16666666666667 79.904 > 40 41 Br 0.66666666666667 0.33333333333333 0.50000000000000 79.904 > 40 42 Br 0.66666666666667 0.33333333333333 0.83333333333333 79.904 > 40 43 Sr 0.05009687775709 0.77652822414945 0.16666666666667 87.620 > 43 44 Sr 0.05009687775709 0.77652822414945 0.50000000000000 87.620 > 43 45 Sr 0.05009687775709 0.77652822414945 0.83333333333333 87.620 > 43 46 Sr 0.92577486099575 0.35939032096760 0.00000000000000 87.620 > 46 47 Sr 0.92577486099575 0.35939032096760 0.33333333333333 87.620 > 46 48 Sr 0.92577486099575 0.35939032096760 0.66666666666667 87.620 > 46 49 Sr 0.43361545997185 0.07422513900425 0.00000000000000 87.620 > 49 50 Sr 0.43361545997185 0.07422513900425 0.33333333333333 87.620 > 49 51 Sr 0.43361545997185 0.07422513900425 0.66666666666667 87.620 > 49 52 Sr 0.64060967903240 0.56638454002815 0.00000000000000 87.620 > 52 53 Sr 0.64060967903240 0.56638454002815 0.33333333333333 87.620 > 52 54 Sr 0.64060967903240 0.56638454002815 0.66666666666667 87.620 > 52 55 Sr 0.33333333333333 0.66666666666667 0.00000000000000 87.620 > 55 56 Sr 0.33333333333333 0.66666666666667 0.33333333333333 87.620 > 55 57 Sr 0.33333333333333 0.66666666666667 0.66666666666667 87.620 > 55 58 Sr 0.22347177585055 0.27356865360764 0.16666666666667 87.620 > 58 59 Sr 0.22347177585055 0.27356865360764 0.50000000000000 87.620 > 58 60 Sr 0.22347177585055 0.27356865360764 0.83333333333333 87.620 > 58 61 Sr 0.72643134639236 0.94990312224291 0.16666666666667 87.620 > 61 62 Sr 0.72643134639236 0.94990312224291 0.50000000000000 87.620 > 61 63 Sr 0.72643134639236 0.94990312224291 0.83333333333333 87.620 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3893732 -0.0000002 0.0000000 0.0000002 4.3893732 0.0000000 0.0000000 0.0000000 4.2340118 -------------------------- Born effective charges -------------------------- 1 H -0.9572840 0.0313287 0.0000000 0.0104611 -1.0032340 0.0000000 0.0000000 0.0000000 -1.0458898 2 H -1.0098420 0.0198832 0.0000000 -0.0009844 -0.9506760 0.0000000 0.0000000 0.0000000 -1.0458898 3 H -0.9736509 -0.0199106 0.0000000 -0.0407781 -0.9868671 0.0000000 0.0000000 0.0000000 -1.0458898 4 H -0.9689439 0.0236015 0.0000000 0.0222486 -0.9795225 0.0000000 0.0000000 0.0000000 -0.9352040 5 H -0.9967315 -0.0062054 0.0000000 -0.0075583 -0.9517349 0.0000000 0.0000000 0.0000000 -0.9352040 6 H -0.9570241 -0.0153668 0.0000000 -0.0167196 -0.9914422 0.0000000 0.0000000 0.0000000 -0.9352040 7 H -0.9445974 -0.0188377 0.0000000 -0.0329431 -0.9995711 0.0000000 0.0000000 0.0000000 -0.9011307 8 H -0.9634059 0.0438023 0.0000000 0.0296968 -0.9807626 0.0000000 0.0000000 0.0000000 -0.9011307 9 H -1.0082494 -0.0038064 0.0000000 -0.0179118 -0.9359190 0.0000000 0.0000000 0.0000000 -0.9011307 10 H -1.0236439 -0.0275762 0.0000000 -0.0047512 -1.0278769 0.0000000 0.0000000 0.0000000 -0.9262133 11 H -1.0408168 -0.0051636 0.0000000 0.0176614 -1.0107039 0.0000000 0.0000000 0.0000000 -0.9262133 12 H -1.0128205 -0.0014977 0.0000000 0.0213274 -1.0387003 0.0000000 0.0000000 0.0000000 -0.9262133 13 Br -1.2638548 0.0046539 0.0000000 -0.0046539 -1.2638548 0.0000000 0.0000000 0.0000000 -1.3626686 14 Br -1.2119067 -0.0197328 0.0000000 0.0197328 -1.2119067 0.0000000 0.0000000 0.0000000 -1.3501871 15 Sr 2.0999328 -0.0035781 0.0000000 -0.0044257 2.0579357 0.0000000 0.0000000 0.0000000 2.0845121 16 Sr 2.1240167 0.0382886 0.0000000 -0.0346536 1.9943038 0.0000000 0.0000000 0.0000000 2.0047197 17 Sr 2.0251580 0.0917297 0.0000000 0.0187875 2.0931625 0.0000000 0.0000000 0.0000000 2.0047197 18 Sr 2.0283060 -0.0206050 0.0000000 -0.0935472 2.0900145 0.0000000 0.0000000 0.0000000 2.0047197 19 Sr 1.9184884 -0.1158571 0.0000000 0.1158571 1.9184884 0.0000000 0.0000000 0.0000000 1.8704737 20 Sr 2.0649692 -0.0157606 0.0000000 -0.0166082 2.0928993 0.0000000 0.0000000 0.0000000 2.0845121 21 Sr 2.0719007 0.0206100 0.0000000 0.0197625 2.0859678 0.0000000 0.0000000 0.0000000 2.0845121 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- 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 ... [ 6 6 13 ] 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: 0.60, Number of G-points: 323, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.195 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.851 ( -0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.394 ( -0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 -0.000 0.000) 0.000 4.522 ( 0.000 -0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.809 ( -0.000 0.000 0.000) 0.000 17.133 ( -0.000 0.000 0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 17.654 ( 0.000 0.000 0.000) 0.000 18.072 ( -0.000 0.000 0.000) 0.000 18.072 ( 0.000 0.000 0.000) 0.000 19.879 ( 0.000 0.000 0.000) 0.000 21.074 ( 0.000 0.000 0.000) 0.000 21.074 ( 0.000 0.000 0.000) 0.000 21.154 ( 0.000 0.000 0.000) 0.000 22.484 ( -0.000 0.000 0.000) 0.000 22.909 ( 0.000 0.000 0.000) 0.000 22.909 ( 0.000 0.000 0.000) 0.000 22.999 ( 0.000 0.000 0.000) 0.000 23.412 ( 0.000 0.000 0.000) 0.000 23.412 ( 0.000 0.000 0.000) 0.000 23.962 ( 0.000 0.000 0.000) 0.000 24.640 ( 0.000 0.000 0.000) 0.000 24.640 ( -0.000 -0.000 0.000) 0.000 25.249 ( 0.000 0.000 0.000) 0.000 25.674 ( -0.000 0.000 0.000) 0.000 25.674 ( 0.000 0.000 0.000) 0.000 25.851 ( 0.000 0.000 0.000) 0.000 25.851 ( -0.000 0.000 0.000) 0.000 26.030 ( 0.000 0.000 0.000) 0.000 26.889 ( 0.000 0.000 0.000) 0.000 27.207 ( 0.000 0.000 0.000) 0.000 27.207 ( 0.000 0.000 0.000) 0.000 27.214 ( -0.000 0.000 0.000) 0.000 27.214 ( 0.000 0.000 0.000) 0.000 27.266 ( 0.000 0.000 0.000) 0.000 28.499 ( 0.000 0.000 0.000) 0.000 28.499 ( 0.000 0.000 0.000) 0.000 29.657 ( 0.000 0.000 0.000) 0.000 30.835 ( 0.000 0.000 0.000) 0.000 30.835 ( 0.000 0.000 0.000) 0.000 31.975 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 21.074 12.666 0.000) 24.587 0.565 ( 24.736 14.281 0.000) 28.563 0.833 ( 36.054 20.528 0.000) 41.488 2.150 ( -14.210 -8.359 0.000) 16.487 2.163 ( -3.169 -1.825 0.000) 3.657 2.380 ( -9.458 -6.149 0.000) 11.281 2.562 ( -12.013 -6.989 0.000) 13.898 2.606 ( -8.276 2.180 0.000) 8.558 2.717 ( -0.506 -10.517 0.000) 10.530 2.734 ( -3.027 -1.645 0.000) 3.445 2.873 ( 5.171 7.350 0.000) 8.987 2.955 ( 3.602 1.984 0.000) 4.113 3.200 ( 2.520 1.632 0.000) 3.002 3.232 ( 4.803 2.636 0.000) 5.479 3.247 ( 9.749 5.571 0.000) 11.229 3.375 ( -2.490 -2.008 0.000) 3.199 3.488 ( -3.652 -1.272 0.000) 3.867 3.714 ( 0.496 0.287 0.000) 0.573 3.839 ( -0.611 0.984 0.000) 1.158 3.861 ( 2.750 -0.460 0.000) 2.789 4.008 ( -1.063 -0.614 0.000) 1.227 4.319 ( -6.353 -3.778 0.000) 7.392 4.480 ( -4.378 -2.591 0.000) 5.087 4.568 ( -0.723 -0.260 0.000) 0.768 4.720 ( -1.959 0.480 0.000) 2.017 4.865 ( 4.929 0.888 0.000) 5.008 5.003 ( 7.563 4.971 0.000) 9.051 17.151 ( 1.470 0.852 0.000) 1.699 17.636 ( -1.412 -0.815 0.000) 1.630 18.073 ( 0.045 0.026 0.000) 0.052 18.091 ( 1.428 0.824 0.000) 1.649 18.132 ( -0.390 -0.233 0.000) 0.454 19.904 ( 2.201 1.243 0.000) 2.528 20.903 ( -9.287 -5.283 0.000) 10.685 21.298 ( 6.884 4.065 0.000) 7.994 22.147 ( -6.492 -3.864 0.000) 7.555 22.523 ( 2.706 1.543 0.000) 3.115 22.910 ( 0.153 0.089 0.000) 0.177 22.913 ( 0.391 0.225 0.000) 0.452 22.992 ( -0.563 -0.325 0.000) 0.650 23.405 ( -0.709 -0.338 0.000) 0.786 23.934 ( -2.299 -1.331 0.000) 2.657 24.459 ( 0.845 0.159 0.000) 0.860 24.622 ( -1.523 -0.612 0.000) 1.641 25.149 ( -6.646 -4.010 0.000) 7.762 25.661 ( 2.946 3.845 0.000) 4.844 25.742 ( 6.186 1.727 0.000) 6.422 25.837 ( -1.051 -0.608 0.000) 1.214 25.850 ( -0.119 -0.068 0.000) 0.137 25.870 ( 3.435 1.780 0.000) 3.869 26.044 ( 1.000 0.578 0.000) 1.155 26.895 ( 0.539 0.311 0.000) 0.623 27.180 ( -1.752 -1.498 0.000) 2.305 27.199 ( -0.662 -0.382 0.000) 0.764 27.210 ( 0.235 0.136 0.000) 0.271 27.295 ( 1.026 1.251 0.000) 1.618 28.097 ( -1.852 -0.976 0.000) 2.093 28.562 ( 6.151 3.298 0.000) 6.979 29.406 ( -2.515 -1.233 0.000) 2.801 29.615 ( -3.171 -2.036 0.000) 3.769 30.902 ( 5.407 3.225 0.000) 6.296 31.808 ( -6.429 -3.832 0.000) 7.484 32.040 ( 3.168 1.893 0.000) 3.691 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 19.719 13.003 0.000) 23.620 1.108 ( 23.174 13.376 0.000) 26.757 1.565 ( 24.805 12.733 0.000) 27.882 1.862 ( -9.136 -7.162 0.000) 11.609 1.998 ( -12.887 -7.395 0.000) 14.858 2.161 ( -6.511 0.033 0.000) 6.511 2.337 ( -6.013 -3.607 0.000) 7.012 2.466 ( -6.813 -2.884 0.000) 7.398 2.588 ( -3.802 -6.828 0.000) 7.815 2.671 ( -2.340 -1.144 0.000) 2.605 2.975 ( -3.022 -1.167 0.000) 3.240 3.007 ( 1.443 0.584 0.000) 1.557 3.156 ( -10.962 -3.009 0.000) 11.367 3.258 ( 1.980 1.501 0.000) 2.485 3.332 ( 3.635 1.875 0.000) 4.090 3.384 ( 0.936 -0.025 0.000) 0.936 3.537 ( 6.096 3.011 0.000) 6.799 3.728 ( 0.653 0.380 0.000) 0.756 3.835 ( -0.566 0.770 0.000) 0.956 3.919 ( 3.613 -0.233 0.000) 3.620 3.979 ( -1.278 -0.738 0.000) 1.476 4.238 ( -0.619 -1.655 0.000) 1.767 4.362 ( -4.253 -3.207 0.000) 5.327 4.565 ( -0.887 2.882 0.000) 3.015 4.696 ( -1.980 0.012 0.000) 1.980 4.945 ( 3.789 -0.829 0.000) 3.879 5.151 ( 4.430 3.509 0.000) 5.651 17.189 ( 1.583 0.925 0.000) 1.833 17.603 ( -1.230 -0.710 0.000) 1.420 18.074 ( 0.045 0.026 0.000) 0.052 18.122 ( -0.376 -0.243 0.000) 0.447 18.124 ( 1.246 0.719 0.000) 1.438 19.970 ( 3.345 1.803 0.000) 3.800 20.704 ( -7.783 -4.184 0.000) 8.836 21.430 ( 4.421 2.874 0.000) 5.273 21.991 ( -6.100 -3.925 0.000) 7.253 22.585 ( 2.549 1.393 0.000) 2.905 22.914 ( 0.169 0.099 0.000) 0.196 22.925 ( 0.610 0.350 0.000) 0.703 22.976 ( -0.795 -0.458 0.000) 0.917 23.384 ( -1.137 -0.421 0.000) 1.212 23.874 ( -2.439 -1.480 0.000) 2.853 24.465 ( 0.194 -1.043 0.000) 1.061 24.589 ( -1.590 0.053 0.000) 1.591 25.017 ( -4.105 -2.474 0.000) 4.792 25.744 ( 1.192 4.885 0.000) 5.029 25.813 ( -0.876 -0.509 0.000) 1.013 25.847 ( -0.120 -0.066 0.000) 0.137 25.861 ( 6.150 -1.294 0.000) 6.285 25.968 ( 4.468 3.097 0.000) 5.436 26.066 ( 0.822 0.474 0.000) 0.949 26.910 ( 0.627 0.362 0.000) 0.724 27.139 ( -1.283 -1.324 0.000) 1.844 27.182 ( -0.744 -0.430 0.000) 0.859 27.216 ( 0.232 0.134 0.000) 0.267 27.307 ( -0.615 0.767 0.000) 0.984 28.030 ( -3.454 -1.825 0.000) 3.907 28.759 ( 10.420 5.175 0.000) 11.634 29.326 ( -5.029 -1.804 0.000) 5.343 29.538 ( -2.632 -2.341 0.000) 3.522 31.049 ( 6.599 4.201 0.000) 7.823 31.649 ( -6.869 -4.325 0.000) 8.117 32.098 ( 1.815 1.142 0.000) 2.145 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 0.000 0.000) 0.000 1.474 ( -0.000 -0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.650 ( -0.000 -0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.278 ( -0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 -0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 -0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.284 ( -0.000 0.000 0.000) 0.000 3.374 ( 0.000 -0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 -0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.589 ( 0.000 0.000 0.000) 0.000 18.075 ( 0.000 0.000 0.000) 0.000 18.118 ( 0.000 0.000 0.000) 0.000 18.139 ( 0.000 0.000 0.000) 0.000 20.017 ( 0.000 0.000 0.000) 0.000 20.605 ( 0.000 0.000 0.000) 0.000 21.487 ( 0.000 0.000 0.000) 0.000 21.910 ( 0.000 0.000 0.000) 0.000 22.618 ( 0.000 0.000 0.000) 0.000 22.917 ( 0.000 0.000 0.000) 0.000 22.935 ( 0.000 0.000 0.000) 0.000 22.964 ( 0.000 0.000 0.000) 0.000 23.369 ( 0.000 0.000 0.000) 0.000 23.843 ( 0.000 0.000 0.000) 0.000 24.457 ( 0.000 0.000 0.000) 0.000 24.576 ( 0.000 0.000 0.000) 0.000 24.971 ( 0.000 0.000 0.000) 0.000 25.780 ( 0.000 0.000 0.000) 0.000 25.803 ( 0.000 0.000 0.000) 0.000 25.845 ( 0.000 0.000 0.000) 0.000 25.907 ( 0.000 0.000 0.000) 0.000 26.032 ( 0.000 0.000 0.000) 0.000 26.076 ( 0.000 0.000 0.000) 0.000 26.918 ( 0.000 0.000 0.000) 0.000 27.120 ( 0.000 0.000 0.000) 0.000 27.172 ( 0.000 0.000 0.000) 0.000 27.219 ( 0.000 0.000 0.000) 0.000 27.302 ( 0.000 0.000 0.000) 0.000 27.985 ( 0.000 0.000 0.000) 0.000 28.910 ( 0.000 0.000 0.000) 0.000 29.247 ( 0.000 0.000 0.000) 0.000 29.502 ( 0.000 0.000 0.000) 0.000 31.146 ( 0.000 0.000 0.000) 0.000 31.548 ( 0.000 0.000 0.000) 0.000 32.120 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/56) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 12.541 19.603 0.000) 23.272 0.967 ( 13.710 23.750 0.000) 27.423 1.397 ( 17.213 31.243 0.000) 35.671 1.928 ( -7.867 -10.650 0.000) 13.241 2.094 ( -3.189 -5.615 0.000) 6.458 2.226 ( -4.710 -13.114 0.000) 13.934 2.337 ( -8.151 -13.895 0.000) 16.109 2.429 ( -2.449 -5.178 0.000) 5.728 2.697 ( -0.869 -1.832 0.000) 2.027 2.757 ( -7.916 0.995 0.000) 7.979 2.882 ( 5.115 -2.374 0.000) 5.640 3.012 ( 1.608 3.245 0.000) 3.622 3.222 ( 0.805 0.871 0.000) 1.186 3.274 ( -1.512 -9.192 0.000) 9.316 3.321 ( 2.736 4.999 0.000) 5.699 3.334 ( -4.264 -3.419 0.000) 5.465 3.527 ( 4.883 9.097 0.000) 10.324 3.724 ( 0.369 0.636 0.000) 0.735 3.773 ( -0.797 -1.604 0.000) 1.791 3.939 ( -0.044 2.426 0.000) 2.427 3.987 ( -0.792 -1.371 0.000) 1.583 4.250 ( -1.715 -1.230 0.000) 2.110 4.393 ( -3.739 -5.369 0.000) 6.543 4.548 ( 2.118 -0.471 0.000) 2.170 4.724 ( 0.906 -2.011 0.000) 2.206 4.936 ( 0.035 6.208 0.000) 6.208 5.108 ( 3.724 4.340 0.000) 5.719 17.195 ( 1.920 3.307 0.000) 3.824 17.611 ( -0.847 -1.468 0.000) 1.695 18.074 ( 0.050 0.086 0.000) 0.100 18.114 ( -0.864 -1.454 0.000) 1.692 18.116 ( 0.838 1.451 0.000) 1.676 19.953 ( 2.036 3.713 0.000) 4.235 20.750 ( -4.991 -9.116 0.000) 10.392 21.400 ( 3.332 5.283 0.000) 6.246 22.022 ( -4.822 -7.731 0.000) 9.111 22.569 ( 1.573 2.844 0.000) 3.250 22.914 ( 0.147 0.251 0.000) 0.290 22.921 ( 0.295 0.515 0.000) 0.593 22.981 ( -0.452 -0.783 0.000) 0.904 23.399 ( 0.015 -0.352 0.000) 0.353 23.875 ( -2.388 -4.024 0.000) 4.680 24.467 ( -0.619 0.686 0.000) 0.924 24.599 ( -0.243 -1.894 0.000) 1.910 25.044 ( -3.176 -5.242 0.000) 6.129 25.740 ( 6.243 1.953 0.000) 6.542 25.819 ( -0.624 -1.076 0.000) 1.244 25.835 ( -0.875 8.629 0.000) 8.673 25.848 ( -0.067 -0.120 0.000) 0.138 25.929 ( 2.696 3.492 0.000) 4.412 26.061 ( 0.575 0.997 0.000) 1.151 26.906 ( 0.404 0.700 0.000) 0.809 27.153 ( -1.281 -1.083 0.000) 1.678 27.186 ( -0.499 -0.863 0.000) 0.997 27.215 ( 0.170 0.294 0.000) 0.340 27.326 ( 1.906 1.262 0.000) 2.286 27.995 ( -4.446 -7.872 0.000) 9.041 28.731 ( 6.618 12.641 0.000) 14.268 29.365 ( -0.929 -3.288 0.000) 3.416 29.551 ( -3.085 -3.964 0.000) 5.023 31.005 ( 4.182 6.670 0.000) 7.872 31.703 ( -4.107 -6.558 0.000) 7.738 32.073 ( 0.946 1.447 0.000) 1.729 ======================= Grid point 9 (6/56) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 16.157 15.311 0.000) 22.259 1.435 ( 16.084 18.902 0.000) 24.819 1.579 ( -13.013 -6.079 0.000) 14.363 1.855 ( 3.137 -7.074 0.000) 7.738 1.866 ( -18.308 -5.309 0.000) 19.063 2.147 ( 4.185 -14.595 0.000) 15.183 2.228 ( 12.207 12.910 0.000) 17.767 2.405 ( -0.011 4.727 0.000) 4.727 2.609 ( -10.835 2.386 0.000) 11.094 2.673 ( -1.217 0.711 0.000) 1.409 2.833 ( -6.033 -9.288 0.000) 11.076 3.058 ( -0.792 4.150 0.000) 4.225 3.087 ( -6.156 -5.197 0.000) 8.056 3.239 ( 1.977 -2.673 0.000) 3.325 3.265 ( 6.104 -11.565 0.000) 13.077 3.393 ( 0.649 2.998 0.000) 3.068 3.672 ( -0.657 8.178 0.000) 8.204 3.735 ( 0.291 0.210 0.000) 0.359 3.790 ( 4.113 -1.766 0.000) 4.476 3.924 ( -0.279 -2.542 0.000) 2.557 3.963 ( -0.494 -0.715 0.000) 0.869 4.235 ( -0.479 0.810 0.000) 0.941 4.329 ( -1.716 2.555 0.000) 3.077 4.591 ( 2.875 -3.008 0.000) 4.161 4.680 ( -3.359 -0.116 0.000) 3.361 4.998 ( 0.026 5.778 0.000) 5.778 5.178 ( 2.293 -1.081 0.000) 2.535 17.254 ( -0.561 4.925 0.000) 4.956 17.588 ( -0.386 -0.677 0.000) 0.779 18.076 ( -0.010 0.108 0.000) 0.109 18.087 ( 0.634 -2.959 0.000) 3.027 18.138 ( 0.416 0.603 0.000) 0.733 20.027 ( 1.321 3.686 0.000) 3.916 20.599 ( -2.726 -5.888 0.000) 6.489 21.487 ( 1.648 2.617 0.000) 3.093 21.885 ( -1.751 -5.796 0.000) 6.054 22.617 ( 0.950 1.695 0.000) 1.943 22.918 ( 0.005 0.284 0.000) 0.284 22.931 ( 0.401 0.218 0.000) 0.456 22.965 ( -0.411 -0.507 0.000) 0.653 23.395 ( -1.074 1.288 0.000) 1.677 23.805 ( 0.077 -4.642 0.000) 4.642 24.463 ( -0.365 0.908 0.000) 0.979 24.574 ( -0.439 -1.748 0.000) 1.802 24.973 ( -1.064 -1.585 0.000) 1.909 25.802 ( -0.257 -0.532 0.000) 0.591 25.826 ( -0.820 1.297 0.000) 1.534 25.846 ( -0.052 -0.029 0.000) 0.060 25.894 ( 2.002 5.498 0.000) 5.851 26.012 ( 2.497 1.341 0.000) 2.834 26.076 ( 0.251 0.458 0.000) 0.522 26.918 ( 0.226 0.410 0.000) 0.468 27.133 ( -0.711 0.551 0.000) 0.899 27.172 ( -0.245 -0.537 0.000) 0.591 27.220 ( 0.059 0.192 0.000) 0.201 27.353 ( -1.924 3.773 0.000) 4.235 27.860 ( 2.151 -12.557 0.000) 12.740 28.969 ( 3.883 13.857 0.000) 14.391 29.297 ( -4.788 -1.681 0.000) 5.074 29.469 ( 0.023 -4.520 0.000) 4.520 31.137 ( 3.319 4.151 0.000) 5.315 31.571 ( -3.874 -3.426 0.000) 5.172 32.096 ( 1.281 -0.918 0.000) 1.576 ======================= Grid point 10 (7/56) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -19.875 -4.111 0.000) 20.296 1.435 ( -24.424 -4.488 0.000) 24.833 1.667 ( 12.126 8.820 0.000) 14.994 1.798 ( 3.990 -8.796 0.000) 9.659 1.865 ( 13.728 13.169 0.000) 19.023 2.149 ( 10.634 -10.902 0.000) 15.229 2.212 ( -20.179 -3.264 0.000) 20.441 2.430 ( -4.080 0.898 0.000) 4.177 2.611 ( 6.909 10.669 0.000) 12.711 2.672 ( -0.127 1.457 0.000) 1.463 2.851 ( 10.133 1.166 0.000) 10.200 3.033 ( 4.977 0.988 0.000) 5.074 3.060 ( -3.036 2.746 0.000) 4.094 3.236 ( 1.143 -3.014 0.000) 3.224 3.286 ( 7.673 -9.331 0.000) 12.081 3.394 ( -2.827 0.892 0.000) 2.964 3.666 ( -6.476 4.261 0.000) 7.752 3.735 ( -0.330 -0.146 0.000) 0.360 3.795 ( -0.857 -3.929 0.000) 4.022 3.932 ( 3.239 -1.420 0.000) 3.537 3.963 ( 0.867 0.070 0.000) 0.869 4.248 ( 0.992 0.154 0.000) 1.004 4.339 ( -1.547 3.057 0.000) 3.426 4.553 ( -0.888 -2.249 0.000) 2.418 4.681 ( 1.063 1.932 0.000) 2.205 5.021 ( -3.113 2.607 0.000) 4.061 5.168 ( -0.816 -2.681 0.000) 2.803 17.254 ( -3.992 2.951 0.000) 4.964 17.588 ( 0.779 -0.004 0.000) 0.779 18.076 ( -0.089 0.063 0.000) 0.108 18.087 ( 2.264 -2.035 0.000) 3.044 18.138 ( -0.730 -0.058 0.000) 0.733 20.029 ( -3.763 0.659 0.000) 3.821 20.595 ( 6.245 -0.498 0.000) 6.264 21.484 ( -3.310 -0.028 0.000) 3.310 21.889 ( 6.173 -1.492 0.000) 6.351 22.618 ( -1.888 0.003 0.000) 1.888 22.918 ( -0.250 0.138 0.000) 0.285 22.931 ( -0.388 -0.238 0.000) 0.455 22.965 ( 0.644 0.103 0.000) 0.653 23.392 ( -0.743 1.627 0.000) 1.789 23.806 ( 4.043 -2.401 0.000) 4.702 24.473 ( 0.167 0.521 0.000) 0.548 24.565 ( 1.084 -0.293 0.000) 1.123 24.973 ( 1.946 0.124 0.000) 1.950 25.787 ( -4.303 1.897 0.000) 4.703 25.802 ( 0.591 -0.044 0.000) 0.592 25.846 ( 0.049 0.032 0.000) 0.059 25.948 ( -1.058 1.082 0.000) 1.513 25.999 ( -3.404 -2.157 0.000) 4.029 26.076 ( -0.522 0.012 0.000) 0.522 26.918 ( -0.468 0.010 0.000) 0.468 27.136 ( 0.202 0.814 0.000) 0.839 27.172 ( 0.588 -0.056 0.000) 0.591 27.220 ( -0.196 0.045 0.000) 0.201 27.344 ( -2.999 3.712 0.000) 4.772 27.861 ( 9.723 -8.042 0.000) 12.618 28.980 ( -13.696 3.245 0.000) 14.075 29.278 ( 3.410 3.410 0.000) 4.822 29.480 ( 4.436 -2.195 0.000) 4.950 31.132 ( -5.517 -0.661 0.000) 5.556 31.575 ( 5.145 1.520 0.000) 5.365 32.095 ( 0.091 -1.554 0.000) 1.557 ======================= Grid point 15 (8/56) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.000 -0.000 0.000) 0.000 1.543 ( -0.000 -0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 -0.000 0.000) 0.000 1.815 ( 0.000 -0.000 0.000) 0.000 1.822 ( -0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 -0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.680 ( -0.000 -0.000 0.000) 0.000 2.681 ( 0.000 -0.000 0.000) 0.000 3.045 ( -0.000 0.000 0.000) 0.000 3.054 ( 0.000 -0.000 0.000) 0.000 3.124 ( 0.000 -0.000 0.000) 0.000 3.190 ( -0.000 0.000 0.000) 0.000 3.424 ( -0.000 -0.000 0.000) 0.000 3.737 ( -0.000 -0.000 0.000) 0.000 3.756 ( -0.000 -0.000 0.000) 0.000 3.831 ( -0.000 -0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.956 ( -0.000 -0.000 0.000) 0.000 4.234 ( -0.000 -0.000 0.000) 0.000 4.456 ( -0.000 -0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.695 ( -0.000 -0.000 0.000) 0.000 5.093 ( -0.000 -0.000 0.000) 0.000 5.132 ( 0.000 -0.000 0.000) 0.000 17.318 ( -0.000 -0.000 0.000) 0.000 17.581 ( -0.000 -0.000 0.000) 0.000 18.047 ( -0.000 -0.000 0.000) 0.000 18.077 ( -0.000 -0.000 0.000) 0.000 18.144 ( -0.000 -0.000 0.000) 0.000 20.075 ( -0.000 -0.000 0.000) 0.000 20.527 ( -0.000 -0.000 0.000) 0.000 21.519 ( -0.000 -0.000 0.000) 0.000 21.816 ( -0.000 -0.000 0.000) 0.000 22.637 ( -0.000 -0.000 0.000) 0.000 22.922 ( 0.000 -0.000 0.000) 0.000 22.933 ( -0.000 -0.000 0.000) 0.000 22.960 ( -0.000 -0.000 0.000) 0.000 23.414 ( -0.000 -0.000 0.000) 0.000 23.747 ( -0.000 -0.000 0.000) 0.000 24.477 ( -0.000 -0.000 0.000) 0.000 24.549 ( -0.000 -0.000 0.000) 0.000 24.959 ( -0.000 -0.000 0.000) 0.000 25.796 ( -0.000 -0.000 0.000) 0.000 25.846 ( -0.000 -0.000 0.000) 0.000 25.851 ( -0.000 -0.000 0.000) 0.000 25.943 ( -0.000 -0.000 0.000) 0.000 26.029 ( 0.000 0.000 0.000) 0.000 26.081 ( -0.000 -0.000 0.000) 0.000 26.923 ( -0.000 -0.000 0.000) 0.000 27.142 ( -0.000 -0.000 0.000) 0.000 27.165 ( -0.000 -0.000 0.000) 0.000 27.222 ( -0.000 -0.000 0.000) 0.000 27.422 ( -0.000 -0.000 0.000) 0.000 27.689 ( 0.000 0.000 0.000) 0.000 29.166 ( 0.000 -0.000 0.000) 0.000 29.260 ( -0.000 0.000 0.000) 0.000 29.395 ( 0.000 -0.000 0.000) 0.000 31.186 ( 0.000 -0.000 0.000) 0.000 31.529 ( 0.000 -0.000 0.000) 0.000 32.084 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 43 (9/56) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -0.000 0.000 28.379) 28.379 0.556 ( -0.000 0.000 28.379) 28.379 0.901 ( 0.000 0.000 45.237) 45.237 2.267 ( 0.000 0.000 5.950) 5.950 2.471 ( 0.000 0.000 -0.200) 0.200 2.471 ( 0.000 0.000 -0.200) 0.200 2.535 ( 0.000 0.000 5.318) 5.318 2.701 ( 0.000 0.000 -3.173) 3.173 2.701 ( -0.000 0.000 -3.173) 3.173 2.915 ( 0.000 0.000 4.092) 4.092 2.933 ( 0.000 0.000 8.362) 8.362 2.933 ( 0.000 0.000 8.362) 8.362 3.034 ( -0.000 0.000 0.352) 0.352 3.234 ( 0.000 0.000 5.896) 5.896 3.234 ( 0.000 -0.000 5.896) 5.896 3.435 ( 0.000 0.000 4.694) 4.694 3.435 ( 0.000 0.000 4.694) 4.694 3.850 ( 0.000 0.000 1.596) 1.596 3.850 ( 0.000 0.000 1.596) 1.596 3.856 ( 0.000 0.000 5.440) 5.440 4.149 ( 0.000 0.000 2.091) 2.091 4.457 ( -0.000 0.000 -0.369) 0.369 4.504 ( 0.000 -0.000 -1.804) 1.804 4.504 ( 0.000 0.000 -1.804) 1.804 4.789 ( 0.000 0.000 -1.787) 1.787 4.789 ( 0.000 0.000 -1.787) 1.787 4.795 ( 0.000 0.000 -1.363) 1.363 17.128 ( -0.000 0.000 -0.386) 0.386 17.128 ( 0.000 0.000 -0.386) 0.386 18.096 ( 0.000 0.000 2.421) 2.421 18.096 ( 0.000 -0.000 2.421) 2.421 19.881 ( 0.000 0.000 -0.218) 0.218 20.067 ( 0.000 0.000 -10.145) 10.145 21.024 ( 0.000 0.000 -5.027) 5.027 21.024 ( -0.000 0.000 -5.027) 5.027 21.230 ( 0.000 0.000 6.661) 6.661 22.366 ( 0.000 0.000 -11.645) 11.645 22.765 ( -0.000 0.000 -11.797) 11.797 22.765 ( 0.000 0.000 -11.797) 11.797 23.554 ( 0.000 0.000 11.635) 11.635 23.554 ( 0.000 0.000 11.635) 11.635 23.941 ( 0.000 0.000 -2.095) 2.095 24.152 ( 0.000 -0.000 -0.529) 0.529 24.561 ( 0.000 0.000 -7.265) 7.265 24.561 ( 0.000 0.000 -7.265) 7.265 25.221 ( 0.000 0.000 -1.972) 1.972 25.541 ( 0.000 0.000 -12.249) 12.249 25.541 ( 0.000 0.000 -12.249) 12.249 25.842 ( 0.000 0.000 -1.079) 1.079 25.842 ( 0.000 0.000 -1.079) 1.079 26.783 ( 0.000 -0.000 7.181) 7.181 27.179 ( -0.000 0.000 1.842) 1.842 27.179 ( 0.000 0.000 1.842) 1.842 27.199 ( 0.000 0.000 -6.706) 6.706 27.438 ( 0.000 0.000 16.238) 16.238 27.438 ( 0.000 0.000 16.238) 16.238 28.556 ( 0.000 0.000 5.631) 5.631 28.556 ( 0.000 0.000 5.631) 5.631 29.577 ( 0.000 0.000 -7.460) 7.460 29.807 ( 0.000 0.000 -0.349) 0.349 30.784 ( -0.000 0.000 -5.077) 5.077 30.784 ( 0.000 0.000 -5.077) 5.077 31.863 ( 0.000 0.000 -11.023) 11.023 ======================= Grid point 44 (10/56) ======================= q-point: ( 0.17 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 14.700 8.216 16.820) 23.802 0.731 ( 13.381 8.080 20.842) 26.052 1.283 ( 25.156 14.471 33.656) 44.440 2.124 ( -11.569 -6.448 0.738) 13.266 2.291 ( -5.845 -5.336 8.268) 11.445 2.375 ( -8.400 -3.613 1.013) 9.200 2.562 ( -10.037 1.126 0.688) 10.123 2.633 ( -2.857 -8.096 1.802) 8.773 2.697 ( -3.827 -4.960 0.994) 6.343 2.808 ( -0.245 2.024 3.826) 4.335 2.894 ( 0.143 0.726 3.624) 3.699 3.024 ( 3.450 2.281 5.725) 7.063 3.199 ( 7.766 3.913 -1.230) 8.783 3.290 ( 5.424 2.165 5.615) 8.102 3.300 ( 3.892 3.529 5.579) 7.663 3.422 ( -1.921 -1.125 5.536) 5.967 3.469 ( 1.010 0.720 2.663) 2.938 3.809 ( -2.013 -0.793 5.069) 5.511 3.850 ( 1.045 -1.784 1.399) 2.496 3.866 ( 0.174 1.949 3.052) 3.625 4.083 ( -3.139 -1.914 4.635) 5.916 4.326 ( -5.724 -3.472 1.187) 6.799 4.461 ( -4.325 -2.823 -1.871) 5.493 4.541 ( -0.610 -0.078 -2.724) 2.793 4.700 ( -1.778 0.442 -1.665) 2.476 4.843 ( 4.739 0.983 -2.086) 5.270 4.972 ( 7.522 4.913 -2.696) 9.380 17.144 ( 1.306 0.752 -0.565) 1.609 17.344 ( 13.133 7.587 -9.456) 17.874 18.076 ( -2.067 -1.212 3.217) 4.012 18.102 ( 0.452 0.278 2.818) 2.867 18.962 ( -38.831 -22.424 36.067) 57.546 19.913 ( 2.327 1.322 1.000) 2.857 20.895 ( -8.518 -4.848 -1.434) 9.905 21.277 ( 4.755 2.804 -2.370) 6.008 21.644 ( 11.466 6.532 -31.800) 34.430 22.384 ( 1.945 1.099 -11.379) 11.597 22.785 ( 1.485 0.909 -10.984) 11.121 22.809 ( 2.643 1.487 -10.173) 10.615 23.322 ( -8.368 -4.826 21.009) 23.124 23.540 ( -1.293 -0.706 11.361) 11.456 23.914 ( -2.394 -1.422 -2.116) 3.497 24.372 ( 4.544 2.395 -7.528) 9.113 24.544 ( -1.369 -0.472 -7.039) 7.186 24.743 ( 8.115 4.581 -25.650) 27.291 25.256 ( 3.434 2.075 -10.348) 11.099 25.552 ( 1.091 0.509 -13.795) 13.847 25.648 ( 7.155 4.156 -8.074) 11.560 25.845 ( 0.321 0.034 -0.742) 0.809 25.862 ( 2.580 1.653 0.131) 3.067 26.737 ( -4.244 -2.466 16.407) 17.125 27.007 ( -6.414 -3.674 5.607) 9.278 27.163 ( -1.327 -0.971 2.095) 2.663 27.245 ( -0.347 -0.096 -0.367) 0.514 27.366 ( -2.582 -1.480 16.076) 16.349 27.450 ( 0.773 0.536 15.362) 15.390 28.307 ( -9.794 -5.459 15.442) 19.084 28.611 ( 5.475 2.906 4.753) 7.811 29.489 ( -5.536 -2.935 2.676) 6.813 29.593 ( -5.253 -3.283 0.322) 6.204 30.849 ( 5.133 3.065 -5.357) 8.028 31.382 ( 17.712 10.134 -30.073) 36.343 31.863 ( 0.875 0.529 -12.401) 12.443 ======================= Grid point 45 (11/56) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 17.013 10.059 11.203) 22.719 1.115 ( 21.422 12.876 5.005) 25.490 1.796 ( 5.741 1.618 15.808) 16.896 1.897 ( -0.848 0.299 6.664) 6.725 2.070 ( -8.781 -7.786 6.766) 13.546 2.215 ( -5.603 1.594 5.702) 8.151 2.379 ( -6.232 -3.207 3.759) 7.953 2.496 ( -3.998 -2.747 3.950) 6.256 2.606 ( -2.538 -5.595 2.456) 6.617 2.746 ( -3.298 -0.481 6.051) 6.908 2.964 ( 0.683 -0.976 0.402) 1.257 3.071 ( 0.135 1.972 3.346) 3.886 3.182 ( -9.583 -3.919 5.934) 11.933 3.361 ( 1.862 0.725 7.200) 7.473 3.405 ( 1.709 2.487 6.807) 7.446 3.417 ( 3.055 0.729 3.587) 4.768 3.519 ( 4.982 2.307 0.187) 5.493 3.794 ( -0.245 0.322 4.214) 4.234 3.842 ( 0.199 -1.477 1.675) 2.242 3.911 ( 2.044 2.016 0.628) 2.939 4.030 ( -1.421 -1.289 4.296) 4.705 4.251 ( -0.349 -1.648 1.421) 2.204 4.343 ( -4.284 -3.558 -1.443) 5.753 4.539 ( -0.766 2.838 -2.483) 3.848 4.673 ( -2.144 -0.061 -2.174) 3.054 4.921 ( 3.651 -0.695 -2.388) 4.417 5.118 ( 4.342 3.419 -3.216) 6.394 17.178 ( 1.374 0.785 -0.990) 1.867 17.597 ( 8.985 5.233 -4.761) 11.436 17.988 ( -5.637 -3.341 3.512) 7.435 18.114 ( 0.490 0.337 3.730) 3.777 18.469 ( -9.712 -5.625 18.544) 21.676 19.984 ( 3.564 1.963 1.412) 4.307 20.703 ( -7.775 -4.230 -0.447) 8.862 21.360 ( 2.476 1.620 -6.912) 7.519 21.702 ( -1.566 -1.167 -24.307) 24.385 22.441 ( 2.642 1.415 -11.155) 11.550 22.815 ( 0.792 0.579 -10.221) 10.268 22.861 ( 1.959 1.041 -6.417) 6.790 23.209 ( -2.679 -1.458 18.423) 18.673 23.500 ( -2.090 -1.096 10.153) 10.423 23.853 ( -2.391 -1.545 -2.183) 3.588 24.409 ( 0.516 -0.725 -5.076) 5.153 24.521 ( -1.115 0.469 -5.980) 6.101 24.799 ( -0.278 -0.262 -19.705) 19.709 25.332 ( 2.216 1.673 -20.511) 20.698 25.584 ( 1.547 0.626 -16.262) 16.347 25.747 ( 1.857 1.073 -6.466) 6.812 25.852 ( 0.531 -0.229 -0.470) 0.745 25.991 ( 6.793 4.328 2.557) 8.450 26.640 ( -3.116 -1.946 24.635) 24.907 26.949 ( -0.284 -0.136 3.134) 3.150 27.124 ( -1.449 -1.315 1.257) 2.325 27.216 ( -1.876 -0.636 1.222) 2.328 27.341 ( -0.315 -0.150 11.970) 11.975 27.464 ( 0.318 0.370 14.730) 14.738 28.160 ( -4.682 -2.316 12.444) 13.496 28.794 ( 10.019 4.933 2.945) 11.549 29.373 ( -6.050 -2.115 4.329) 7.734 29.499 ( -2.582 -2.585 -3.390) 4.984 30.985 ( 5.904 3.790 -6.430) 9.516 31.499 ( -1.863 -1.472 -14.377) 14.572 31.916 ( 2.613 1.627 -16.479) 16.764 ======================= Grid point 46 (12/56) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 0.000 4.342) 4.342 1.528 ( 0.000 0.000 4.727) 4.727 1.634 ( 0.000 0.000 3.084) 3.084 1.650 ( -0.000 -0.000 7.297) 7.297 2.044 ( 0.000 0.000 7.929) 7.929 2.283 ( 0.000 0.000 1.500) 1.500 2.408 ( 0.000 0.000 9.812) 9.812 2.481 ( 0.000 0.000 7.293) 7.293 2.519 ( 0.000 0.000 8.912) 8.912 2.719 ( 0.000 0.000 6.660) 6.660 2.815 ( 0.000 0.000 5.345) 5.345 3.080 ( 0.000 0.000 -0.910) 0.910 3.100 ( 0.000 -0.000 6.932) 6.932 3.381 ( 0.000 0.000 7.137) 7.137 3.431 ( 0.000 0.000 5.032) 5.032 3.445 ( 0.000 0.000 6.624) 6.624 3.595 ( 0.000 0.000 -0.870) 0.870 3.794 ( 0.000 0.000 3.228) 3.228 3.832 ( 0.000 0.000 1.195) 1.195 3.943 ( 0.000 0.000 0.058) 0.058 4.012 ( 0.000 0.000 4.489) 4.489 4.252 ( 0.000 0.000 2.765) 2.765 4.279 ( 0.000 0.000 -2.742) 2.742 4.559 ( 0.000 0.000 -2.359) 2.359 4.642 ( 0.000 0.000 -2.463) 2.463 4.948 ( 0.000 0.000 -2.428) 2.428 5.173 ( 0.000 0.000 -3.391) 3.391 17.195 ( 0.000 0.000 -1.239) 1.239 17.729 ( 0.000 0.000 6.556) 6.556 17.883 ( 0.000 0.000 -4.800) 4.800 18.121 ( 0.000 0.000 4.261) 4.261 18.378 ( 0.000 0.000 11.482) 11.482 20.035 ( 0.000 0.000 1.758) 1.758 20.603 ( 0.000 0.000 -0.464) 0.464 21.390 ( 0.000 0.000 -9.376) 9.376 21.672 ( 0.000 0.000 -21.020) 21.020 22.475 ( 0.000 0.000 -10.909) 10.909 22.823 ( 0.000 0.000 -10.095) 10.095 22.885 ( 0.000 0.000 -4.541) 4.541 23.181 ( 0.000 0.000 17.155) 17.155 23.471 ( 0.000 0.000 9.050) 9.050 23.823 ( 0.000 0.000 -1.928) 1.928 24.406 ( 0.000 0.000 -4.782) 4.782 24.515 ( 0.000 0.000 -5.269) 5.269 24.792 ( 0.000 0.000 -16.793) 16.793 25.358 ( 0.000 0.000 -22.431) 22.431 25.601 ( 0.000 0.000 -16.599) 16.599 25.767 ( 0.000 0.000 -6.988) 6.988 25.856 ( 0.000 0.000 -0.498) 0.498 26.082 ( 0.000 0.000 3.548) 3.548 26.605 ( 0.000 0.000 24.612) 24.612 26.951 ( 0.000 0.000 2.951) 2.951 27.104 ( 0.000 0.000 0.291) 0.291 27.192 ( 0.000 0.000 1.755) 1.755 27.339 ( 0.000 0.000 11.057) 11.057 27.469 ( 0.000 0.000 14.749) 14.749 28.105 ( 0.000 0.000 11.876) 11.876 28.942 ( 0.000 0.000 1.922) 1.922 29.281 ( 0.000 0.000 4.054) 4.054 29.464 ( 0.000 0.000 -3.281) 3.281 31.069 ( 0.000 0.000 -7.666) 7.666 31.452 ( 0.000 0.000 -9.421) 9.421 31.948 ( 0.000 0.000 -16.589) 16.589 ======================= Grid point 51 (13/56) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 10.068 18.250 10.402) 23.294 0.997 ( 12.009 19.122 10.036) 24.710 1.698 ( 12.396 22.034 24.593) 35.270 1.942 ( -5.210 -8.298 2.488) 10.109 2.155 ( -7.793 -6.329 4.248) 10.901 2.273 ( 0.592 -12.394 5.942) 13.757 2.399 ( -9.984 -13.392 4.620) 17.331 2.447 ( -0.973 -3.220 3.009) 4.514 2.703 ( -6.002 1.516 0.538) 6.213 2.790 ( -0.156 -5.449 3.173) 6.307 2.897 ( 2.203 1.377 1.995) 3.276 3.086 ( 2.382 2.955 5.988) 7.090 3.258 ( -0.957 -1.156 3.713) 4.005 3.326 ( 1.226 -1.461 3.995) 4.427 3.376 ( -0.689 -0.147 6.538) 6.576 3.409 ( 0.433 0.948 6.208) 6.295 3.496 ( 3.263 6.349 -0.145) 7.140 3.789 ( -0.696 -1.795 2.443) 3.110 3.826 ( -0.612 1.373 7.525) 7.674 3.908 ( 1.171 0.960 -1.439) 2.089 4.048 ( -1.072 -1.204 4.385) 4.672 4.255 ( -2.262 -2.018 1.006) 3.194 4.374 ( -3.901 -4.963 -1.579) 6.507 4.526 ( 2.131 -0.466 -2.160) 3.070 4.699 ( 0.709 -2.090 -2.459) 3.304 4.913 ( 0.196 5.971 -2.240) 6.381 5.076 ( 3.654 4.308 -3.052) 6.421 17.183 ( 1.638 2.851 -1.083) 3.462 17.530 ( 5.462 9.405 -7.393) 13.151 18.018 ( -2.883 -4.880 3.865) 6.860 18.114 ( 0.527 0.831 3.696) 3.825 18.539 ( -8.846 -15.293 23.355) 29.285 19.966 ( 2.163 3.883 1.238) 4.614 20.748 ( -4.984 -9.028 -0.578) 10.328 21.342 ( 1.976 3.123 -5.662) 6.762 21.703 ( -0.881 -1.109 -25.942) 25.981 22.429 ( 1.752 3.206 -11.028) 11.617 22.806 ( 0.643 0.915 -10.573) 10.631 22.850 ( 1.206 2.227 -7.283) 7.710 23.227 ( -2.073 -3.703 19.085) 19.552 23.522 ( -0.573 -1.198 10.851) 10.932 23.851 ( -2.666 -4.344 -2.552) 5.700 24.414 ( -0.017 1.697 -4.821) 5.111 24.521 ( 0.038 -1.841 -6.898) 7.139 24.799 ( 0.116 0.417 -21.424) 21.429 25.323 ( 2.352 3.430 -19.009) 19.458 25.576 ( 0.918 2.090 -15.747) 15.912 25.724 ( 0.906 1.633 -6.565) 6.826 25.869 ( 0.613 2.103 -0.533) 2.254 25.940 ( 4.471 6.772 2.027) 8.364 26.659 ( -2.586 -4.281 23.942) 24.459 26.952 ( -0.560 -1.019 3.535) 3.721 27.135 ( -1.229 -1.361 1.502) 2.370 27.236 ( -0.316 -1.138 1.178) 1.668 27.342 ( -0.392 -0.762 12.435) 12.464 27.467 ( 0.772 0.976 14.199) 14.253 28.147 ( -4.903 -9.069 13.956) 17.351 28.764 ( 6.171 11.866 3.027) 13.713 29.416 ( -1.285 -4.502 4.156) 6.261 29.515 ( -3.500 -4.089 -2.867) 6.099 30.944 ( 3.786 5.996 -6.129) 9.372 31.513 ( 0.292 1.104 -17.844) 17.881 31.890 ( 1.317 2.074 -15.640) 15.832 ======================= Grid point 52 (14/56) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 13.036 13.295 7.112) 19.932 1.428 ( 14.541 17.372 2.143) 22.756 1.661 ( -10.517 -6.719 6.969) 14.294 1.890 ( -15.283 -4.197 4.559) 16.492 1.976 ( -2.130 -10.046 8.223) 13.156 2.207 ( 3.545 -12.865 5.812) 14.555 2.344 ( 11.869 12.748 10.831) 20.511 2.442 ( 0.083 3.266 4.089) 5.234 2.605 ( -6.007 1.076 1.649) 6.321 2.754 ( 0.753 0.638 6.292) 6.369 2.884 ( -4.825 -3.542 4.844) 7.700 3.095 ( -7.703 -2.377 2.650) 8.486 3.144 ( -2.469 1.777 7.636) 8.219 3.308 ( 4.228 -9.175 5.728) 11.613 3.353 ( 3.150 -3.909 9.210) 10.489 3.452 ( 0.588 2.221 5.145) 5.634 3.625 ( 1.515 6.378 -2.637) 7.066 3.781 ( 0.927 -0.791 1.745) 2.128 3.822 ( -0.355 -1.161 2.972) 3.210 3.926 ( 1.017 -0.505 2.600) 2.837 4.024 ( -0.851 -0.054 4.851) 4.926 4.223 ( 0.207 -1.139 -1.127) 1.616 4.314 ( -1.933 3.024 -0.883) 3.696 4.567 ( 2.734 -2.824 -2.336) 4.573 4.654 ( -3.232 -0.347 -2.646) 4.191 4.973 ( -0.004 5.541 -2.416) 6.045 5.146 ( 2.207 -0.913 -3.197) 3.990 17.233 ( -0.511 4.137 -1.879) 4.573 17.688 ( 5.166 3.825 2.491) 6.894 17.898 ( -3.961 -5.222 -1.715) 6.774 18.129 ( -0.018 1.065 4.963) 5.076 18.371 ( -1.707 -3.901 12.262) 12.980 20.043 ( 1.473 3.729 1.613) 4.321 20.595 ( -2.759 -5.987 -0.464) 6.609 21.390 ( 0.812 1.295 -9.365) 9.489 21.653 ( -0.611 -3.208 -20.561) 20.819 22.484 ( 0.755 2.493 -10.234) 10.560 22.818 ( 0.342 -0.218 -10.660) 10.668 22.884 ( 0.660 1.013 -4.530) 4.689 23.185 ( -0.626 -0.800 17.387) 17.416 23.498 ( -1.717 0.821 9.478) 9.667 23.776 ( 0.431 -5.281 -2.822) 6.003 24.418 ( -0.610 1.520 -4.122) 4.436 24.506 ( 0.114 -2.005 -5.836) 6.172 24.793 ( -0.227 -0.219 -16.993) 16.996 25.371 ( 0.234 1.708 -22.262) 22.329 25.611 ( 0.270 1.954 -16.945) 17.059 25.732 ( 1.066 -1.781 -6.301) 6.634 25.897 ( -0.739 3.646 -0.931) 3.835 26.071 ( 2.956 3.357 3.452) 5.650 26.597 ( -0.744 -2.084 24.434) 24.534 26.950 ( 0.128 0.111 2.830) 2.835 27.117 ( -0.507 0.866 0.768) 1.264 27.210 ( -1.523 -0.299 1.894) 2.448 27.333 ( 0.109 -0.625 10.574) 10.593 27.486 ( -0.369 1.766 13.058) 13.182 28.009 ( 0.997 -10.345 14.273) 17.656 28.994 ( 4.006 13.368 1.158) 14.004 29.333 ( -5.571 -2.514 4.483) 7.580 29.433 ( 0.482 -3.925 -3.305) 5.153 31.057 ( 2.829 3.081 -7.856) 8.900 31.472 ( -2.396 -1.194 -9.656) 10.021 31.926 ( 1.460 -0.426 -16.388) 16.458 ======================= Grid point 53 (15/56) ======================= q-point: (-0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -16.987 -3.358 8.931) 19.483 1.431 ( -22.653 -4.187 1.304) 23.073 1.727 ( 9.050 4.373 4.516) 11.019 1.822 ( 12.936 6.481 5.482) 15.473 1.997 ( 9.469 3.019 9.420) 13.693 2.198 ( 9.422 -9.744 4.790) 14.376 2.338 ( -18.855 -4.351 11.552) 22.536 2.455 ( -1.855 0.299 3.529) 3.998 2.628 ( 4.574 8.572 2.609) 10.060 2.723 ( -0.854 -2.011 4.500) 5.002 2.932 ( 3.747 -0.196 6.323) 7.353 3.045 ( 6.438 7.473 3.433) 10.444 3.139 ( -1.871 2.911 7.129) 7.924 3.299 ( 4.336 -7.515 5.496) 10.270 3.372 ( 3.529 -4.789 9.008) 10.795 3.452 ( -2.199 0.634 4.981) 5.482 3.625 ( -6.140 1.775 -2.458) 6.847 3.778 ( 0.068 -1.074 2.987) 3.175 3.829 ( 1.871 -0.484 1.385) 2.377 3.922 ( -0.461 -0.984 2.814) 3.016 4.027 ( 0.760 0.549 4.539) 4.634 4.236 ( 2.345 -1.507 -0.856) 2.916 4.324 ( -1.578 3.481 -0.964) 3.942 4.531 ( -0.884 -2.182 -2.099) 3.154 4.654 ( 1.207 1.816 -2.659) 3.439 4.995 ( -3.037 2.524 -2.621) 4.740 5.136 ( -0.898 -2.501 -3.125) 4.102 17.233 ( -3.321 2.510 -1.868) 4.563 17.688 ( -5.904 -2.523 2.429) 6.865 17.899 ( 6.538 0.769 -1.664) 6.790 18.129 ( -0.951 0.563 4.967) 5.089 18.371 ( 4.244 -0.476 12.256) 12.979 20.045 ( -3.900 0.558 1.580) 4.245 20.593 ( 6.384 -0.533 -0.416) 6.419 21.388 ( -1.658 -0.006 -9.232) 9.380 21.655 ( 3.265 -1.141 -20.697) 20.984 22.485 ( -2.459 0.565 -10.220) 10.527 22.817 ( -0.058 -0.379 -10.632) 10.639 22.884 ( -1.151 -0.089 -4.567) 4.711 23.184 ( 0.938 0.176 17.272) 17.299 23.497 ( 0.070 1.902 9.593) 9.780 23.778 ( 4.480 -3.040 -2.759) 6.076 24.429 ( -0.301 1.262 -4.209) 4.405 24.494 ( 0.916 -1.060 -5.948) 6.110 24.793 ( 0.354 0.075 -16.917) 16.921 25.368 ( -1.869 0.742 -21.898) 21.990 25.612 ( -1.654 0.692 -17.005) 17.099 25.733 ( 1.013 -1.790 -6.436) 6.757 25.902 ( -2.391 2.349 -1.170) 3.550 26.068 ( -4.679 -0.835 3.584) 5.952 26.599 ( 2.286 -0.447 24.331) 24.442 26.950 ( -0.178 -0.050 2.794) 2.800 27.120 ( -0.235 0.772 0.696) 1.066 27.206 ( 0.759 1.296 2.062) 2.551 27.333 ( 0.468 -0.404 10.485) 10.504 27.484 ( -1.469 1.226 13.296) 13.433 28.007 ( 8.250 -5.937 14.141) 17.415 29.005 ( -13.332 2.884 1.056) 13.681 29.310 ( 4.233 3.349 3.918) 6.669 29.448 ( 3.977 -1.964 -2.642) 5.163 31.054 ( -4.346 -0.781 -7.825) 8.985 31.476 ( 2.510 1.353 -9.646) 10.059 31.925 ( -0.445 -1.457 -16.414) 16.485 ======================= Grid point 58 (16/56) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -0.000 -0.000 5.582) 5.582 1.575 ( -0.000 -0.000 3.834) 3.834 1.626 ( 0.000 0.000 1.952) 1.952 1.881 ( 0.000 -0.000 5.607) 5.607 1.892 ( -0.000 -0.000 8.596) 8.596 1.896 ( 0.000 0.000 7.376) 7.376 2.501 ( 0.000 -0.000 5.946) 5.946 2.558 ( 0.000 0.000 0.569) 0.569 2.564 ( -0.000 -0.000 0.621) 0.621 2.759 ( -0.000 -0.000 7.061) 7.061 2.923 ( 0.000 -0.000 16.303) 16.303 3.062 ( -0.000 0.000 2.258) 2.258 3.091 ( -0.000 -0.000 5.197) 5.197 3.199 ( 0.000 -0.000 6.586) 6.586 3.304 ( -0.000 -0.000 10.656) 10.656 3.477 ( -0.000 -0.000 4.421) 4.421 3.702 ( -0.000 -0.000 -2.666) 2.666 3.779 ( -0.000 -0.000 2.861) 2.861 3.791 ( -0.000 0.000 -3.191) 3.191 3.920 ( -0.000 -0.000 7.844) 7.844 4.018 ( 0.000 -0.000 5.201) 5.201 4.208 ( -0.000 -0.000 -2.226) 2.226 4.435 ( -0.000 -0.000 -1.835) 1.835 4.449 ( 0.000 0.000 -1.834) 1.834 4.667 ( -0.000 -0.000 -2.821) 2.821 5.061 ( -0.000 -0.000 -3.183) 3.183 5.107 ( 0.000 -0.000 -2.530) 2.530 17.286 ( -0.000 -0.000 -2.788) 2.788 17.738 ( 0.000 -0.000 14.600) 14.600 17.825 ( -0.000 -0.000 -13.572) 13.572 18.143 ( -0.000 -0.000 6.186) 6.186 18.330 ( -0.000 -0.000 10.117) 10.117 20.092 ( -0.000 -0.000 1.639) 1.639 20.522 ( -0.000 -0.000 -0.454) 0.454 21.405 ( -0.000 -0.000 -10.779) 10.779 21.613 ( -0.000 -0.000 -18.401) 18.401 22.513 ( -0.000 -0.000 -9.311) 9.311 22.814 ( -0.000 -0.000 -11.270) 11.270 22.894 ( -0.000 -0.000 -3.619) 3.619 23.179 ( -0.000 -0.000 17.081) 17.081 23.514 ( -0.000 -0.000 9.792) 9.792 23.708 ( -0.000 -0.000 -4.080) 4.080 24.447 ( -0.000 -0.000 -2.474) 2.474 24.470 ( 0.000 -0.000 -7.046) 7.046 24.792 ( -0.000 -0.000 -15.997) 15.997 25.389 ( -0.000 -0.000 -22.379) 22.379 25.636 ( -0.000 -0.000 -17.824) 17.824 25.709 ( 0.000 0.000 -5.914) 5.914 25.940 ( -0.000 -0.000 -1.663) 1.663 26.107 ( 0.000 -0.000 4.135) 4.135 26.573 ( 0.000 -0.000 23.754) 23.754 26.951 ( -0.000 -0.000 2.605) 2.605 27.136 ( -0.000 -0.000 1.169) 1.169 27.204 ( -0.000 -0.000 2.186) 2.186 27.324 ( -0.000 -0.000 9.558) 9.558 27.514 ( -0.000 -0.000 10.411) 10.411 27.882 ( 0.000 0.000 17.549) 17.549 29.200 ( -0.000 -0.000 -5.621) 5.621 29.264 ( -0.000 0.000 9.340) 9.340 29.375 ( 0.000 -0.000 -2.059) 2.059 31.092 ( 0.000 -0.000 -9.183) 9.183 31.456 ( 0.000 -0.000 -7.263) 7.263 31.918 ( 0.000 -0.000 -16.239) 16.239 ======================= Grid point 86 (17/56) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.000 0.000 27.550) 27.550 1.102 ( 0.000 0.000 27.550) 27.550 1.734 ( 0.000 0.000 38.950) 38.950 2.392 ( -0.000 0.000 7.266) 7.266 2.485 ( 0.000 -0.000 1.691) 1.691 2.485 ( 0.000 -0.000 1.691) 1.691 2.661 ( -0.000 0.000 -0.919) 0.919 2.661 ( 0.000 0.000 -0.919) 0.919 2.719 ( -0.000 0.000 13.115) 13.115 3.005 ( 0.000 0.000 3.899) 3.899 3.054 ( 0.000 0.000 2.384) 2.384 3.074 ( 0.000 0.000 5.232) 5.232 3.074 ( -0.000 0.000 5.232) 5.232 3.353 ( -0.000 0.000 5.666) 5.666 3.353 ( 0.000 0.000 5.666) 5.666 3.583 ( -0.000 0.000 9.804) 9.804 3.583 ( 0.000 0.000 9.804) 9.804 3.917 ( 0.000 0.000 5.772) 5.772 3.917 ( 0.000 0.000 5.772) 5.772 3.985 ( 0.000 -0.000 6.755) 6.755 4.203 ( 0.000 0.000 3.071) 3.071 4.450 ( 0.000 0.000 -3.758) 3.758 4.450 ( 0.000 0.000 -3.758) 3.758 4.467 ( 0.000 0.000 2.138) 2.138 4.752 ( -0.000 0.000 -1.430) 1.430 4.752 ( 0.000 -0.000 -1.430) 1.430 4.762 ( 0.000 0.000 -1.718) 1.718 17.120 ( 0.000 0.000 -0.335) 0.335 17.120 ( 0.000 0.000 -0.335) 0.335 18.164 ( 0.000 0.000 4.344) 4.344 18.164 ( 0.000 0.000 4.344) 4.344 19.764 ( 0.000 0.000 -13.500) 13.500 19.939 ( 0.000 0.000 -0.350) 0.350 20.884 ( -0.000 0.000 -9.075) 9.075 20.884 ( -0.000 0.000 -9.075) 9.075 21.349 ( 0.000 0.000 3.302) 3.302 22.077 ( 0.000 0.000 -15.609) 15.609 22.523 ( 0.000 0.000 -12.034) 12.034 22.523 ( 0.000 0.000 -12.034) 12.034 23.792 ( 0.000 0.000 11.769) 11.769 23.792 ( 0.000 0.000 11.769) 11.769 23.878 ( 0.000 0.000 -4.635) 4.635 24.124 ( 0.000 0.000 -2.293) 2.293 24.396 ( 0.000 0.000 -8.904) 8.904 24.396 ( -0.000 0.000 -8.904) 8.904 25.209 ( -0.000 0.000 1.151) 1.151 25.259 ( 0.000 0.000 -15.285) 15.285 25.259 ( 0.000 0.000 -15.285) 15.285 25.810 ( 0.000 0.000 -2.035) 2.035 25.810 ( 0.000 0.000 -2.035) 2.035 26.916 ( -0.000 0.000 -0.213) 0.213 27.049 ( 0.000 0.000 -2.350) 2.350 27.231 ( -0.000 0.000 2.626) 2.626 27.231 ( 0.000 0.000 2.626) 2.626 27.799 ( 0.000 0.000 19.731) 19.731 27.799 ( 0.000 0.000 19.731) 19.731 28.701 ( -0.000 0.000 8.632) 8.632 28.701 ( 0.000 -0.000 8.632) 8.632 29.388 ( 0.000 0.000 -11.581) 11.581 29.779 ( 0.000 -0.000 -2.525) 2.525 30.644 ( 0.000 0.000 -9.092) 9.092 30.644 ( 0.000 0.000 -9.092) 9.092 31.574 ( -0.000 0.000 -17.672) 17.672 ======================= Grid point 87 (18/56) ======================= q-point: ( 0.17 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 2.969 1.541 24.665) 24.890 1.187 ( 7.074 4.258 24.687) 26.031 1.956 ( 15.684 9.110 31.666) 36.492 2.190 ( -10.681 -5.723 7.432) 14.215 2.380 ( -5.373 -7.960 3.047) 10.075 2.470 ( -7.990 2.272 5.330) 9.870 2.639 ( -3.497 1.405 5.446) 6.623 2.673 ( 3.039 -8.040 4.374) 9.644 2.743 ( -6.128 -0.676 4.148) 7.431 2.888 ( -0.711 1.167 4.867) 5.055 2.987 ( -4.143 -3.389 4.472) 6.975 3.130 ( 3.530 3.325 4.100) 6.351 3.180 ( 6.353 2.969 -0.179) 7.014 3.398 ( 3.423 0.880 4.623) 5.819 3.423 ( 4.335 3.335 6.172) 8.247 3.590 ( -0.101 0.744 10.585) 10.612 3.599 ( 1.236 0.051 9.517) 9.597 3.884 ( -2.621 -1.285 4.439) 5.312 3.919 ( 0.737 0.034 6.510) 6.552 3.995 ( -0.275 -0.027 7.902) 7.907 4.155 ( -2.436 -1.458 2.729) 3.938 4.377 ( -5.476 -3.238 2.156) 6.717 4.422 ( -1.986 -1.675 0.204) 2.606 4.469 ( -0.064 0.421 -4.160) 4.182 4.666 ( -2.734 -0.671 -1.557) 3.217 4.794 ( 3.597 0.951 -2.471) 4.466 4.909 ( 6.491 4.130 -3.495) 8.450 17.132 ( 0.967 0.552 -0.552) 1.243 17.232 ( 8.692 5.027 -3.655) 10.686 18.163 ( -0.124 -0.081 5.409) 5.411 18.178 ( 1.207 0.705 4.799) 4.998 19.327 ( -28.790 -16.625 5.174) 33.646 19.942 ( 2.373 1.364 1.839) 3.297 20.817 ( -5.566 -3.157 -6.825) 9.356 21.047 ( 7.320 4.179 -20.350) 22.027 21.317 ( -2.588 -1.486 -3.895) 4.907 22.119 ( 3.532 2.016 -14.048) 14.625 22.543 ( 1.445 0.886 -12.602) 12.716 22.589 ( 4.665 2.655 -11.540) 12.727 23.674 ( -6.771 -3.821 14.029) 16.039 23.772 ( -2.206 -1.219 10.636) 10.930 23.858 ( -1.584 -1.128 -1.914) 2.728 24.225 ( 5.147 3.087 -6.880) 9.130 24.390 ( -0.352 -0.041 -8.902) 8.909 24.412 ( 1.400 0.610 -10.418) 10.529 25.066 ( -3.987 -2.326 -10.315) 11.301 25.248 ( -0.760 -0.411 -16.018) 16.041 25.503 ( 10.637 6.134 -5.633) 13.510 25.814 ( 0.358 0.052 -2.245) 2.274 25.836 ( 3.106 1.946 -2.422) 4.393 26.888 ( -2.693 -1.570 -4.180) 5.214 27.026 ( -0.719 -0.390 3.955) 4.039 27.235 ( 0.152 0.192 2.553) 2.564 27.256 ( 1.122 0.515 3.411) 3.628 27.731 ( -4.990 -2.869 19.537) 20.367 27.804 ( 0.318 0.186 19.593) 19.596 28.582 ( -7.249 -3.962 12.571) 15.042 28.731 ( 3.288 1.649 7.099) 7.995 29.401 ( -0.132 -0.044 -8.318) 8.319 29.660 ( -7.059 -4.092 2.964) 8.681 30.700 ( 4.414 2.645 -9.551) 10.849 30.897 ( 15.282 8.730 -20.486) 27.008 31.561 ( -1.069 -0.608 -18.001) 18.043 ======================= Grid point 88 (19/56) ======================= q-point: ( 0.33 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 13.534 6.557 13.966) 20.523 1.399 ( 10.550 7.436 18.419) 22.492 1.962 ( -9.029 -4.693 7.725) 12.776 2.128 ( -11.223 -7.652 9.751) 16.721 2.246 ( -2.816 -1.649 7.817) 8.471 2.412 ( -4.854 0.339 9.709) 10.860 2.507 ( 7.344 4.290 15.772) 17.919 2.633 ( 1.371 -4.679 8.847) 10.102 2.679 ( -2.546 -1.241 5.059) 5.797 2.871 ( -3.604 1.726 6.843) 7.924 2.986 ( 3.889 -0.644 1.768) 4.320 3.140 ( -2.544 1.016 4.361) 5.149 3.340 ( 2.462 1.636 4.931) 5.750 3.442 ( 1.536 -1.276 3.248) 3.813 3.494 ( 2.113 2.448 6.568) 7.321 3.593 ( -0.266 0.315 9.159) 9.168 3.627 ( 2.125 1.366 10.770) 11.062 3.822 ( -2.301 -1.687 0.557) 2.907 3.942 ( 0.113 1.562 8.467) 8.611 3.963 ( -0.544 -2.173 2.238) 3.167 4.136 ( 0.197 0.058 6.809) 6.812 4.263 ( -3.442 -2.767 -0.876) 4.502 4.375 ( -0.815 -2.100 6.001) 6.409 4.478 ( -0.336 2.541 -2.945) 3.905 4.617 ( -2.775 -0.546 -3.453) 4.464 4.859 ( 2.996 -0.211 -3.720) 4.781 5.035 ( 3.843 2.882 -4.969) 6.911 17.157 ( 0.983 0.545 -1.023) 1.519 17.447 ( 8.966 5.216 -8.302) 13.286 18.151 ( -1.107 -0.687 9.760) 9.847 18.212 ( 1.584 0.946 6.175) 6.444 18.776 ( -17.782 -10.277 11.873) 23.723 20.022 ( 4.078 2.314 2.271) 5.210 20.667 ( -6.794 -3.735 -3.677) 8.581 21.135 ( 1.526 0.718 -19.532) 19.605 21.253 ( -2.618 -1.443 -15.789) 16.070 22.209 ( 3.756 2.049 -11.670) 12.430 22.573 ( 0.813 0.600 -13.203) 13.242 22.691 ( 3.917 2.180 -10.610) 11.518 23.548 ( -4.509 -2.036 12.766) 13.691 23.689 ( -4.024 -2.727 6.735) 8.306 23.831 ( -0.447 -0.611 3.854) 3.928 24.288 ( 0.650 0.616 -7.138) 7.194 24.392 ( 0.057 0.786 -9.457) 9.490 24.448 ( 1.961 0.411 -10.569) 10.757 25.022 ( -0.607 -0.443 -13.348) 13.369 25.237 ( -0.143 -0.021 -18.040) 18.041 25.635 ( 1.812 1.129 -4.730) 5.190 25.821 ( 0.396 -0.127 -2.566) 2.600 25.978 ( 7.562 4.628 -3.468) 9.520 26.812 ( -3.252 -1.964 -5.588) 6.757 27.031 ( 0.632 0.531 5.363) 5.426 27.230 ( -0.821 -0.188 0.562) 1.012 27.264 ( 0.199 -0.412 11.628) 11.637 27.632 ( -3.181 -1.693 16.599) 16.986 27.809 ( 0.138 0.078 19.381) 19.382 28.451 ( -4.507 -2.088 15.728) 16.494 28.851 ( 6.921 3.222 2.725) 8.106 29.366 ( -2.708 -1.131 -5.997) 6.677 29.528 ( -4.304 -2.702 6.754) 8.452 30.809 ( 4.234 2.784 -11.221) 12.312 31.147 ( 6.374 3.279 -20.325) 21.552 31.539 ( -0.625 -0.244 -20.824) 20.835 ======================= Grid point 89 (20/56) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.000 0.000 7.856) 7.856 1.660 ( 0.000 0.000 9.919) 9.919 1.774 ( -0.000 -0.000 10.406) 10.406 1.864 ( -0.000 -0.000 13.506) 13.506 2.202 ( 0.000 0.000 8.691) 8.691 2.331 ( 0.000 0.000 3.399) 3.399 2.593 ( -0.000 0.000 6.178) 6.178 2.645 ( 0.000 -0.000 9.097) 9.097 2.751 ( -0.000 0.000 13.916) 13.916 2.871 ( 0.000 -0.000 8.667) 8.667 2.994 ( 0.000 0.000 10.066) 10.066 3.092 ( 0.000 0.000 4.998) 4.998 3.297 ( 0.000 0.000 12.443) 12.443 3.469 ( 0.000 0.000 -0.496) 0.496 3.541 ( 0.000 0.000 9.933) 9.933 3.599 ( 0.000 0.000 1.021) 1.021 3.659 ( 0.000 0.000 12.367) 12.367 3.789 ( 0.000 0.000 -1.914) 1.914 3.930 ( 0.000 -0.000 5.440) 5.440 3.970 ( 0.000 0.000 3.925) 3.925 4.138 ( 0.000 0.000 7.578) 7.578 4.220 ( 0.000 0.000 -1.419) 1.419 4.359 ( 0.000 0.000 8.011) 8.011 4.498 ( 0.000 0.000 -3.500) 3.500 4.578 ( 0.000 0.000 -3.755) 3.755 4.883 ( 0.000 0.000 -4.003) 4.003 5.083 ( 0.000 0.000 -5.525) 5.525 17.169 ( 0.000 0.000 -1.275) 1.275 17.566 ( 0.000 0.000 -11.429) 11.429 18.127 ( 0.000 0.000 15.560) 15.560 18.235 ( 0.000 0.000 7.745) 7.745 18.569 ( -0.000 -0.000 8.138) 8.138 20.081 ( 0.000 0.000 2.728) 2.728 20.576 ( 0.000 0.000 -2.631) 2.631 21.148 ( 0.000 0.000 -15.305) 15.305 21.220 ( 0.000 0.000 -22.635) 22.635 22.256 ( 0.000 0.000 -10.776) 10.776 22.581 ( 0.000 0.000 -13.322) 13.322 22.741 ( 0.000 0.000 -10.194) 10.194 23.495 ( 0.000 0.000 10.295) 10.295 23.635 ( 0.000 0.000 7.010) 7.010 23.825 ( 0.000 0.000 5.376) 5.376 24.292 ( 0.000 0.000 -6.698) 6.698 24.397 ( 0.000 0.000 -9.450) 9.450 24.470 ( 0.000 0.000 -9.676) 9.676 25.016 ( 0.000 0.000 -14.182) 14.182 25.238 ( 0.000 -0.000 -19.194) 19.194 25.649 ( 0.000 0.000 -4.941) 4.941 25.824 ( 0.000 0.000 -2.710) 2.710 26.080 ( 0.000 0.000 -3.685) 3.685 26.769 ( 0.000 0.000 -5.649) 5.649 27.041 ( 0.000 0.000 4.196) 4.196 27.219 ( 0.000 0.000 0.579) 0.579 27.263 ( 0.000 0.000 15.870) 15.870 27.597 ( 0.000 0.000 14.436) 14.436 27.811 ( 0.000 0.000 19.250) 19.250 28.399 ( 0.000 0.000 16.671) 16.671 28.949 ( 0.000 0.000 -0.856) 0.856 29.324 ( 0.000 0.000 -3.787) 3.787 29.475 ( 0.000 0.000 7.659) 7.659 30.865 ( 0.000 0.000 -12.742) 12.742 31.206 ( 0.000 0.000 -15.320) 15.320 31.535 ( 0.000 0.000 -23.917) 23.917 ======================= Grid point 94 (21/56) ======================= q-point: ( 0.17 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 5.816 11.558 17.082) 21.429 1.333 ( 6.567 9.830 20.286) 23.479 2.015 ( -4.446 -8.886 7.215) 12.280 2.172 ( -0.517 -0.413 12.826) 12.843 2.307 ( -1.381 8.814 17.121) 19.306 2.403 ( 3.924 -12.696 6.259) 14.689 2.490 ( -7.642 -8.945 5.567) 13.016 2.586 ( -2.694 -1.578 10.997) 11.432 2.733 ( -5.070 1.786 2.917) 6.115 2.866 ( 3.875 -5.210 4.377) 7.831 2.965 ( -1.130 2.348 5.148) 5.770 3.188 ( 3.131 1.959 3.967) 5.420 3.315 ( 4.051 8.106 -0.142) 9.063 3.420 ( -0.964 1.223 5.215) 5.442 3.492 ( 2.137 2.256 6.423) 7.135 3.578 ( 0.221 -1.355 10.506) 10.596 3.609 ( -0.245 0.128 10.357) 10.361 3.882 ( -0.216 -1.463 1.509) 2.113 3.888 ( -1.453 -1.065 6.920) 7.150 3.988 ( -0.288 0.066 6.460) 6.466 4.131 ( -0.329 -0.514 4.439) 4.481 4.285 ( -3.321 -4.454 0.282) 5.563 4.384 ( -2.458 -2.020 5.260) 6.147 4.471 ( 2.120 0.094 -2.963) 3.645 4.635 ( -0.291 -2.821 -3.891) 4.815 4.856 ( 0.668 4.839 -3.322) 5.907 4.999 ( 3.102 3.933 -4.520) 6.747 17.160 ( 1.128 1.992 -1.126) 2.551 17.382 ( 5.285 9.096 -6.962) 12.615 18.150 ( -0.838 -1.397 8.048) 8.211 18.208 ( 1.298 2.213 5.683) 6.235 18.895 ( -12.705 -21.988 12.113) 28.136 19.999 ( 2.432 4.267 2.050) 5.322 20.707 ( -4.130 -7.446 -4.196) 9.492 21.122 ( 1.204 2.332 -20.938) 21.102 21.268 ( -1.746 -3.114 -12.508) 13.007 22.191 ( 2.676 4.820 -12.218) 13.404 22.562 ( 0.501 0.655 -13.133) 13.159 22.668 ( 2.534 4.517 -10.833) 12.007 23.575 ( -2.484 -5.052 13.806) 14.910 23.738 ( -2.179 -3.522 6.075) 7.352 23.806 ( -1.887 -2.460 3.753) 4.867 24.293 ( 1.716 2.519 -7.507) 8.102 24.382 ( 0.444 -0.301 -8.341) 8.358 24.438 ( 0.284 1.594 -11.674) 11.786 25.033 ( -0.399 -0.542 -12.905) 12.923 25.238 ( -0.129 -0.336 -17.545) 17.549 25.614 ( 1.590 2.675 -4.600) 5.554 25.833 ( 0.532 1.612 -2.768) 3.247 25.925 ( 4.697 7.548 -3.128) 9.424 26.831 ( -2.251 -3.774 -5.440) 6.993 27.026 ( 0.418 0.498 5.663) 5.700 27.228 ( -0.321 -0.886 2.083) 2.286 27.275 ( 0.346 1.254 7.821) 7.929 27.649 ( -2.511 -4.547 17.540) 18.293 27.810 ( 0.159 0.275 19.416) 19.418 28.454 ( -3.859 -7.451 15.879) 17.960 28.831 ( 4.056 8.111 3.562) 9.743 29.380 ( -1.031 -2.270 -6.517) 6.978 29.565 ( -2.737 -4.502 6.076) 8.042 30.776 ( 2.776 4.303 -10.813) 11.964 31.108 ( 5.237 9.637 -21.866) 24.462 31.540 ( -0.715 -1.384 -19.508) 19.570 ======================= Grid point 95 (22/56) ======================= q-point: ( 0.33 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 7.941 12.032 9.168) 17.085 1.583 ( 10.746 10.280 12.866) 19.664 1.835 ( -7.678 -7.162 10.736) 15.016 2.019 ( -14.049 -2.146 8.377) 16.497 2.144 ( -1.838 -9.207 9.123) 13.091 2.341 ( 0.631 -9.939 7.210) 12.295 2.490 ( 3.278 -1.149 4.548) 5.723 2.613 ( 0.465 0.836 6.827) 6.894 2.727 ( 2.027 4.701 14.381) 15.265 2.914 ( 4.275 -1.433 7.587) 8.826 2.986 ( 1.702 7.362 7.942) 10.962 3.191 ( -8.048 2.531 6.295) 10.526 3.345 ( -3.682 -0.712 11.676) 12.263 3.443 ( 3.104 -2.295 4.571) 5.983 3.533 ( 0.140 0.567 7.949) 7.970 3.567 ( 2.312 0.644 4.926) 5.479 3.626 ( 1.996 -1.247 7.593) 7.949 3.802 ( -2.380 -3.236 -0.171) 4.020 3.883 ( 0.598 -2.223 5.044) 5.544 4.023 ( 0.493 4.914 3.963) 6.332 4.130 ( -0.121 -0.199 5.601) 5.605 4.213 ( -0.777 -1.991 2.110) 3.004 4.348 ( -0.656 0.413 5.303) 5.359 4.511 ( 2.265 -1.837 -2.676) 3.958 4.582 ( -2.731 -1.071 -4.533) 5.399 4.909 ( -0.128 4.613 -4.021) 6.120 5.061 ( 1.873 -0.391 -5.095) 5.442 17.194 ( -0.343 2.746 -1.895) 3.354 17.539 ( 4.181 3.510 -10.513) 11.846 18.109 ( -0.706 -3.098 14.322) 14.670 18.252 ( 0.497 2.667 7.283) 7.772 18.582 ( -5.494 -7.917 9.260) 13.364 20.085 ( 1.826 3.784 2.485) 4.881 20.572 ( -2.694 -5.277 -2.170) 6.309 21.141 ( 0.388 -0.022 -17.027) 17.031 21.216 ( -0.842 -1.934 -20.607) 20.715 22.272 ( 0.922 3.819 -10.721) 11.418 22.567 ( 0.520 -1.115 -13.620) 13.675 22.739 ( 1.344 2.232 -10.132) 10.462 23.513 ( -1.495 -0.820 12.358) 12.475 23.640 ( -2.644 -2.842 1.369) 4.116 23.784 ( 1.436 -2.953 9.010) 9.590 24.313 ( -0.764 1.347 -6.178) 6.370 24.399 ( 0.429 0.177 -7.561) 7.575 24.453 ( 0.937 -0.039 -11.865) 11.902 25.031 ( -0.503 1.016 -14.364) 14.409 25.240 ( 0.108 0.340 -19.447) 19.450 25.627 ( 0.610 -1.446 -4.474) 4.742 25.854 ( -0.673 2.658 -3.218) 4.228 26.071 ( 3.207 4.227 -3.514) 6.363 26.764 ( -1.139 -2.500 -5.384) 6.044 27.038 ( 0.303 0.128 4.709) 4.721 27.214 ( -0.149 -0.533 0.719) 0.907 27.289 ( -0.698 2.162 14.316) 14.496 27.584 ( -0.541 -2.881 14.189) 14.489 27.813 ( -0.033 0.220 19.133) 19.134 28.345 ( -0.048 -6.612 18.311) 19.468 28.982 ( 2.294 8.130 -1.854) 8.648 29.335 ( -1.475 -1.805 -5.273) 5.765 29.493 ( -2.081 -0.849 9.526) 9.787 30.848 ( 1.915 0.979 -13.045) 13.221 31.221 ( 0.852 3.688 -15.644) 16.096 31.520 ( 0.279 -1.570 -23.386) 23.440 ======================= Grid point 96 (23/56) ======================= q-point: (-0.50 0.17 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -14.947 -0.335 8.249) 17.076 1.538 ( -12.859 -4.216 14.113) 19.553 1.851 ( 8.126 2.555 8.494) 12.030 1.989 ( 10.675 8.427 10.752) 17.338 2.182 ( 8.059 1.248 9.518) 12.534 2.307 ( 6.524 -5.641 5.889) 10.444 2.494 ( 0.473 -5.706 4.952) 7.570 2.648 ( 0.559 0.034 8.537) 8.556 2.731 ( -3.095 1.695 12.297) 12.793 2.862 ( -5.571 -2.171 8.820) 10.655 3.026 ( -4.894 -2.237 5.680) 7.824 3.180 ( 0.629 10.270 7.534) 12.753 3.335 ( 2.604 3.647 12.010) 12.819 3.442 ( 1.839 -5.892 6.817) 9.197 3.521 ( -2.295 1.331 4.245) 5.006 3.600 ( -1.636 -0.148 3.266) 3.656 3.611 ( 0.406 -3.719 10.900) 11.524 3.802 ( 4.304 0.216 -2.255) 4.864 3.886 ( 1.610 -1.389 7.538) 7.832 4.023 ( -4.100 1.845 3.502) 5.699 4.130 ( 0.338 -0.222 6.470) 6.483 4.225 ( 2.599 -0.318 0.367) 2.644 4.356 ( 0.665 0.500 5.584) 5.646 4.484 ( -1.066 -1.600 -2.060) 2.818 4.582 ( 1.647 1.301 -4.485) 4.952 4.923 ( -2.719 2.192 -4.560) 5.744 5.055 ( -1.041 -1.866 -4.844) 5.295 17.194 ( -2.190 1.666 -1.894) 3.341 17.538 ( -5.159 -1.853 -10.494) 11.839 18.109 ( 3.066 -0.956 14.278) 14.635 18.252 ( -2.575 0.913 7.307) 7.801 18.582 ( 9.610 0.798 9.261) 13.370 20.086 ( -4.162 0.295 2.463) 4.845 20.570 ( 5.788 -0.254 -2.148) 6.179 21.143 ( -0.062 -0.397 -16.789) 16.794 21.216 ( 2.048 -0.210 -20.832) 20.934 22.273 ( -3.684 1.082 -10.698) 11.366 22.566 ( 0.621 -0.980 -13.672) 13.721 22.740 ( -2.553 -0.070 -10.111) 10.429 23.506 ( 1.114 1.034 11.715) 11.813 23.647 ( 4.045 0.783 2.148) 4.646 23.785 ( 2.037 -2.825 8.951) 9.605 24.313 ( -0.890 1.432 -6.963) 7.165 24.390 ( -0.895 -0.246 -7.042) 7.103 24.460 ( 0.021 -0.895 -11.661) 11.695 25.031 ( -0.564 0.922 -14.268) 14.309 25.239 ( -0.389 0.086 -19.539) 19.543 25.626 ( 0.888 -1.219 -4.502) 4.748 25.857 ( -1.723 1.838 -3.248) 4.111 26.069 ( -5.441 -0.622 -3.484) 6.491 26.765 ( 2.796 -0.290 -5.398) 6.086 27.037 ( -0.387 -0.138 4.652) 4.670 27.214 ( 0.470 -0.131 0.945) 1.063 27.292 ( -1.273 1.605 14.177) 14.324 27.582 ( 2.656 -0.937 14.162) 14.439 27.813 ( -0.172 0.137 19.148) 19.149 28.343 ( 5.457 -3.141 18.309) 19.361 28.989 ( -7.727 1.827 -2.068) 8.205 29.329 ( 2.005 0.599 -4.338) 4.816 29.496 ( 1.939 1.269 8.788) 9.088 30.845 ( -2.042 -1.068 -12.983) 13.186 31.225 ( -3.331 0.983 -15.656) 16.036 31.519 ( 1.129 -0.990 -23.415) 23.463 ======================= Grid point 101 (24/56) ======================= q-point: ( 0.33 0.33 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 -0.000 5.611) 5.611 1.704 ( 0.000 0.000 9.256) 9.256 1.705 ( -0.000 0.000 10.668) 10.668 2.022 ( 0.000 -0.000 8.545) 8.545 2.082 ( -0.000 -0.000 11.527) 11.527 2.092 ( 0.000 0.000 11.292) 11.292 2.548 ( 0.000 0.000 2.600) 2.600 2.579 ( -0.000 -0.000 1.568) 1.568 2.763 ( 0.000 -0.000 14.639) 14.639 2.883 ( -0.000 -0.000 4.362) 4.362 3.183 ( 0.000 -0.000 9.571) 9.571 3.244 ( 0.000 -0.000 9.735) 9.735 3.262 ( -0.000 0.000 16.207) 16.207 3.365 ( 0.000 -0.000 10.686) 10.686 3.560 ( 0.000 0.000 5.085) 5.085 3.561 ( -0.000 -0.000 14.685) 14.685 3.643 ( -0.000 -0.000 -3.194) 3.194 3.724 ( 0.000 0.000 -3.529) 3.529 3.875 ( -0.000 -0.000 5.575) 5.575 4.088 ( -0.000 -0.000 7.310) 7.310 4.128 ( 0.000 -0.000 5.363) 5.363 4.185 ( -0.000 -0.000 1.644) 1.644 4.410 ( -0.000 -0.000 -1.407) 1.407 4.416 ( 0.000 0.000 1.692) 1.692 4.590 ( -0.000 -0.000 -4.813) 4.813 4.973 ( -0.000 -0.000 -5.623) 5.623 5.041 ( 0.000 -0.000 -3.857) 3.857 17.228 ( -0.000 -0.000 -2.771) 2.771 17.574 ( -0.000 -0.000 -11.788) 11.788 18.069 ( 0.000 -0.000 17.410) 17.410 18.286 ( -0.000 -0.000 7.781) 7.781 18.500 ( 0.000 -0.000 7.391) 7.391 20.133 ( -0.000 -0.000 2.394) 2.394 20.508 ( -0.000 -0.000 -1.130) 1.130 21.140 ( -0.000 -0.000 -15.639) 15.639 21.195 ( -0.000 -0.000 -22.672) 22.672 22.319 ( -0.000 -0.000 -9.953) 9.953 22.549 ( -0.000 -0.000 -14.341) 14.341 22.763 ( -0.000 -0.000 -9.798) 9.798 23.520 ( -0.000 -0.000 16.770) 16.770 23.591 ( 0.000 -0.000 -7.799) 7.799 23.753 ( -0.000 -0.000 13.382) 13.382 24.326 ( -0.000 -0.000 -6.585) 6.585 24.407 ( -0.000 -0.000 -1.261) 1.261 24.447 ( -0.000 -0.000 -16.702) 16.702 25.044 ( -0.000 -0.000 -14.712) 14.712 25.245 ( -0.000 -0.000 -20.460) 20.460 25.609 ( -0.000 -0.000 -4.361) 4.361 25.885 ( -0.000 -0.000 -3.709) 3.709 26.118 ( -0.000 -0.000 -3.342) 3.342 26.735 ( -0.000 -0.000 -5.205) 5.205 27.039 ( -0.000 -0.000 4.703) 4.703 27.212 ( -0.000 -0.000 -1.155) 1.155 27.316 ( 0.000 -0.000 17.184) 17.184 27.548 ( -0.000 -0.000 12.357) 12.357 27.816 ( -0.000 -0.000 18.855) 18.855 28.271 ( 0.000 -0.000 20.350) 20.350 29.076 ( -0.000 -0.000 -6.219) 6.219 29.315 ( -0.000 -0.000 -4.064) 4.064 29.485 ( 0.000 -0.000 11.970) 11.970 30.856 ( -0.000 -0.000 -14.273) 14.273 31.262 ( -0.000 -0.000 -12.129) 12.129 31.499 ( 0.000 -0.000 -25.402) 25.402 ======================= Grid point 129 (25/56) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.000 0.000 25.810) 25.810 1.623 ( 0.000 0.000 25.810) 25.810 2.292 ( -0.000 0.000 15.083) 15.083 2.534 ( 0.000 0.000 3.197) 3.197 2.534 ( 0.000 0.000 3.197) 3.197 2.662 ( 0.000 0.000 22.970) 22.970 2.664 ( 0.000 0.000 1.090) 1.090 2.664 ( -0.000 0.000 1.090) 1.090 2.995 ( 0.000 -0.000 13.159) 13.159 3.046 ( 0.000 0.000 1.742) 1.742 3.139 ( 0.000 0.000 2.053) 2.053 3.139 ( 0.000 0.000 2.053) 2.053 3.145 ( 0.000 0.000 6.568) 6.568 3.431 ( 0.000 0.000 2.142) 2.142 3.431 ( -0.000 0.000 2.142) 2.142 3.769 ( 0.000 0.000 7.890) 7.890 3.769 ( 0.000 -0.000 7.890) 7.890 4.067 ( 0.000 0.000 8.065) 8.065 4.067 ( -0.000 0.000 8.065) 8.065 4.084 ( 0.000 0.000 3.079) 3.079 4.257 ( 0.000 0.000 2.857) 2.857 4.367 ( 0.000 0.000 -3.675) 3.675 4.367 ( 0.000 0.000 -3.675) 3.675 4.545 ( 0.000 0.000 4.371) 4.371 4.756 ( 0.000 0.000 2.550) 2.550 4.759 ( 0.000 0.000 2.799) 2.799 4.759 ( 0.000 -0.000 2.799) 2.799 17.118 ( 0.000 0.000 0.113) 0.113 17.118 ( 0.000 0.000 0.113) 0.113 18.260 ( 0.000 0.000 5.321) 5.321 18.260 ( 0.000 0.000 5.321) 5.321 19.478 ( 0.000 -0.000 -14.682) 14.682 19.955 ( 0.000 -0.000 1.262) 1.262 20.686 ( -0.000 0.000 -10.742) 10.742 20.686 ( 0.000 0.000 -10.742) 10.742 21.231 ( 0.000 0.000 -16.730) 16.730 21.909 ( -0.000 0.000 0.486) 0.486 22.318 ( 0.000 0.000 -8.789) 8.789 22.318 ( -0.000 0.000 -8.789) 8.789 23.753 ( 0.000 0.000 -8.245) 8.245 23.968 ( 0.000 0.000 4.055) 4.055 23.968 ( 0.000 0.000 4.055) 4.055 24.083 ( 0.000 0.000 -1.204) 1.204 24.250 ( 0.000 0.000 -4.004) 4.004 24.250 ( -0.000 0.000 -4.004) 4.004 24.986 ( 0.000 0.000 -12.096) 12.096 24.986 ( 0.000 0.000 -12.096) 12.096 25.255 ( 0.000 0.000 2.692) 2.692 25.768 ( 0.000 0.000 -2.150) 2.150 25.768 ( -0.000 0.000 -2.150) 2.150 26.691 ( -0.000 0.000 -15.211) 15.211 27.198 ( 0.000 0.000 10.618) 10.618 27.267 ( 0.000 0.000 0.964) 0.964 27.267 ( -0.000 0.000 0.964) 0.964 28.173 ( 0.000 0.000 18.109) 18.109 28.173 ( 0.000 0.000 18.109) 18.109 28.866 ( 0.000 0.000 7.685) 7.685 28.866 ( 0.000 0.000 7.685) 7.685 29.138 ( 0.000 0.000 -13.792) 13.792 29.712 ( 0.000 0.000 -4.222) 4.222 30.444 ( 0.000 0.000 -11.010) 11.010 30.444 ( 0.000 0.000 -11.010) 11.010 31.212 ( 0.000 0.000 -18.603) 18.603 ======================= Grid point 130 (26/56) ======================= q-point: ( 0.17 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -1.936 -1.228 23.930) 24.039 1.666 ( 3.610 2.174 24.122) 24.487 2.268 ( -4.390 -2.360 8.584) 9.926 2.443 ( -4.829 -2.213 5.542) 7.676 2.485 ( -2.760 -2.671 6.955) 7.945 2.655 ( 1.725 2.257 11.881) 12.216 2.705 ( 0.741 -0.140 3.387) 3.469 2.784 ( 4.565 2.251 12.043) 13.074 2.901 ( -8.873 -5.876 8.419) 13.570 3.005 ( -1.283 -0.476 6.791) 6.928 3.067 ( -0.890 0.037 5.401) 5.474 3.150 ( 5.189 3.359 -0.168) 6.184 3.230 ( 1.446 0.701 4.032) 4.340 3.455 ( 1.869 0.723 1.618) 2.575 3.507 ( 5.562 3.177 2.249) 6.789 3.779 ( 0.599 0.263 7.811) 7.838 3.795 ( 1.744 1.275 8.837) 9.097 3.992 ( -3.701 -1.650 5.136) 6.542 4.068 ( -0.919 -1.719 6.473) 6.760 4.155 ( -2.067 1.209 8.799) 9.119 4.194 ( 1.759 -1.283 1.623) 2.716 4.340 ( -2.963 -0.430 -1.952) 3.574 4.382 ( 0.738 -0.318 -2.636) 2.756 4.548 ( 1.031 0.638 5.948) 6.070 4.666 ( -4.331 -2.510 3.385) 6.043 4.772 ( 0.995 0.525 1.025) 1.522 4.863 ( 4.640 2.706 -0.105) 5.373 17.126 ( 0.640 0.363 -0.079) 0.740 17.180 ( 4.995 2.891 -1.859) 6.064 18.275 ( 1.293 0.746 5.824) 6.012 18.283 ( 2.067 1.194 5.808) 6.280 19.294 ( -14.645 -8.458 -6.207) 18.015 19.979 ( 2.546 1.468 1.756) 3.423 20.645 ( -3.362 -1.896 -10.190) 10.897 20.701 ( 1.129 0.612 -14.638) 14.694 21.158 ( -6.184 -3.566 -14.835) 16.463 21.936 ( 3.013 1.721 -2.853) 4.492 22.327 ( 0.673 0.433 -9.241) 9.276 22.383 ( 4.427 2.523 -9.234) 10.547 23.679 ( -5.975 -3.409 -8.196) 10.700 23.945 ( -1.620 -1.211 6.663) 6.963 23.973 ( 0.479 0.493 4.658) 4.709 24.117 ( 2.108 1.304 -2.967) 3.867 24.214 ( -2.555 -1.547 -5.979) 6.684 24.298 ( 3.592 2.077 -2.430) 4.809 24.867 ( -5.489 -3.193 -9.371) 11.320 24.968 ( -1.536 -0.861 -12.144) 12.271 25.433 ( 9.563 5.533 -2.297) 11.284 25.764 ( -0.158 -0.303 -2.776) 2.797 25.782 ( 1.698 1.182 -2.815) 3.493 26.668 ( -1.916 -1.111 -14.200) 14.372 27.145 ( -2.405 -1.346 5.027) 5.733 27.254 ( -1.046 -0.662 0.249) 1.263 27.365 ( 6.078 3.523 7.160) 10.031 28.092 ( -6.245 -3.593 16.952) 18.420 28.177 ( 0.276 0.151 18.135) 18.138 28.789 ( -3.832 -2.036 8.031) 9.128 28.869 ( 0.626 0.174 6.687) 6.718 29.218 ( 3.098 1.779 -9.668) 10.307 29.677 ( -2.053 -1.162 -1.105) 2.605 30.491 ( 3.492 2.091 -11.484) 12.184 30.544 ( 7.905 4.484 -16.224) 18.596 31.196 ( -1.523 -0.876 -18.628) 18.710 ======================= Grid point 131 (27/56) ======================= q-point: ( 0.33 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 4.977 1.963 17.308) 18.116 1.775 ( 5.370 3.887 19.577) 20.669 2.145 ( -6.595 -2.098 10.675) 12.723 2.315 ( -9.587 -8.079 10.041) 16.062 2.378 ( -1.727 -0.340 6.729) 6.956 2.532 ( -9.269 -2.903 6.039) 11.438 2.722 ( 1.236 -4.390 3.841) 5.963 2.785 ( -2.602 0.505 5.178) 5.817 2.911 ( 5.929 -0.187 11.063) 12.553 3.019 ( -0.814 5.909 7.880) 9.883 3.085 ( 3.631 0.968 12.547) 13.098 3.231 ( 2.079 1.445 4.375) 5.055 3.340 ( 7.257 3.897 -1.437) 8.362 3.498 ( 2.354 0.688 2.070) 3.210 3.621 ( 3.830 1.545 3.426) 5.366 3.783 ( -0.370 -0.410 7.865) 7.885 3.838 ( 0.746 0.603 11.197) 11.238 3.904 ( -6.601 0.035 8.096) 10.446 3.949 ( -4.002 -4.155 -2.146) 6.155 4.127 ( 0.920 -3.973 5.905) 7.176 4.219 ( -1.454 1.394 3.664) 4.181 4.333 ( -0.068 4.340 7.650) 8.795 4.400 ( 3.239 -2.086 -0.705) 3.917 4.550 ( -4.381 -2.356 -2.365) 5.508 4.585 ( 0.141 0.672 10.489) 10.511 4.795 ( 0.980 0.259 -1.995) 2.237 4.950 ( 2.816 1.713 -2.555) 4.170 17.142 ( 0.635 0.346 -0.471) 0.863 17.307 ( 5.265 3.065 -5.890) 8.474 18.308 ( 1.336 0.765 6.511) 6.690 18.356 ( 4.510 2.616 8.038) 9.580 18.926 ( -15.697 -9.086 3.980) 18.568 20.065 ( 4.513 2.580 1.991) 5.567 20.554 ( -4.258 -2.308 -7.614) 9.024 20.735 ( 2.072 1.110 -18.166) 18.317 20.988 ( -7.815 -4.512 -14.809) 17.341 22.029 ( 4.214 2.313 -5.939) 7.641 22.343 ( 0.537 0.477 -9.758) 9.784 22.473 ( 3.210 1.755 -10.960) 11.555 23.530 ( -6.206 -3.370 -8.438) 11.003 23.891 ( -2.408 -1.933 10.239) 10.695 23.988 ( 0.436 0.412 7.255) 7.279 24.123 ( -1.878 -0.256 -8.552) 8.760 24.205 ( 2.187 0.607 -5.868) 6.292 24.380 ( 3.127 1.808 -0.449) 3.640 24.793 ( -1.475 -0.931 -9.991) 10.143 24.928 ( -1.674 -0.873 -12.789) 12.927 25.558 ( 1.598 1.094 -3.529) 4.025 25.760 ( 0.075 -0.420 -3.523) 3.549 25.877 ( 5.564 3.526 -6.398) 9.183 26.616 ( -2.302 -1.371 -12.324) 12.612 27.107 ( -1.151 -0.434 2.549) 2.831 27.225 ( -1.124 -0.900 -0.861) 1.678 27.501 ( 5.356 3.081 11.769) 13.292 27.947 ( -5.675 -3.188 15.120) 16.461 28.182 ( 0.155 0.062 18.269) 18.270 28.726 ( -2.282 -0.853 11.630) 11.882 28.903 ( 2.475 0.913 2.845) 3.880 29.231 ( -1.010 -0.687 -7.295) 7.396 29.645 ( -0.964 -0.401 4.189) 4.317 30.567 ( 2.513 1.657 -13.135) 13.476 30.740 ( 8.379 4.571 -20.781) 22.868 31.144 ( -2.957 -1.650 -18.976) 19.276 ======================= Grid point 132 (28/56) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 0.000 0.000 11.628) 11.628 1.905 ( 0.000 0.000 14.398) 14.398 1.996 ( -0.000 -0.000 11.697) 11.697 2.156 ( 0.000 -0.000 15.915) 15.915 2.394 ( -0.000 0.000 10.888) 10.888 2.416 ( 0.000 -0.000 5.525) 5.525 2.690 ( -0.000 0.000 4.427) 4.427 2.764 ( 0.000 -0.000 3.565) 3.565 2.979 ( -0.000 0.000 5.650) 5.650 3.022 ( 0.000 -0.000 7.105) 7.105 3.127 ( -0.000 0.000 8.400) 8.400 3.301 ( 0.000 -0.000 9.093) 9.093 3.436 ( 0.000 0.000 -1.063) 1.063 3.534 ( 0.000 0.000 8.423) 8.423 3.667 ( 0.000 0.000 4.062) 4.062 3.710 ( -0.000 -0.000 7.090) 7.090 3.799 ( 0.000 0.000 8.774) 8.774 3.895 ( -0.000 0.000 5.678) 5.678 3.913 ( 0.000 -0.000 1.313) 1.313 4.105 ( 0.000 0.000 0.404) 0.404 4.216 ( -0.000 0.000 9.306) 9.306 4.356 ( 0.000 0.000 8.356) 8.356 4.447 ( -0.000 0.000 1.820) 1.820 4.462 ( 0.000 -0.000 -3.043) 3.043 4.595 ( 0.000 0.000 9.262) 9.262 4.805 ( 0.000 0.000 -3.409) 3.409 4.983 ( 0.000 0.000 -3.525) 3.525 17.149 ( 0.000 0.000 -0.670) 0.670 17.374 ( 0.000 0.000 -8.141) 8.141 18.325 ( 0.000 0.000 6.750) 6.750 18.447 ( 0.000 0.000 11.352) 11.352 18.699 ( -0.000 -0.000 5.320) 5.320 20.131 ( 0.000 0.000 2.145) 2.145 20.495 ( 0.000 0.000 -5.553) 5.553 20.784 ( 0.000 0.000 -18.353) 18.353 20.866 ( -0.000 -0.000 -16.683) 16.683 22.082 ( 0.000 0.000 -6.528) 6.528 22.350 ( 0.000 0.000 -9.718) 9.718 22.512 ( 0.000 0.000 -12.295) 12.295 23.452 ( 0.000 0.000 -8.470) 8.470 23.856 ( 0.000 0.000 11.140) 11.140 23.993 ( 0.000 0.000 9.105) 9.105 24.104 ( 0.000 -0.000 -12.057) 12.057 24.233 ( 0.000 0.000 -4.282) 4.282 24.419 ( 0.000 0.000 0.364) 0.364 24.778 ( 0.000 0.000 -10.340) 10.340 24.908 ( 0.000 0.000 -13.544) 13.544 25.568 ( 0.000 0.000 -3.693) 3.693 25.758 ( 0.000 0.000 -3.789) 3.789 25.955 ( 0.000 0.000 -8.533) 8.533 26.585 ( 0.000 0.000 -11.285) 11.285 27.095 ( 0.000 0.000 1.803) 1.803 27.210 ( 0.000 0.000 -1.331) 1.331 27.572 ( 0.000 0.000 14.562) 14.562 27.874 ( 0.000 0.000 13.566) 13.566 28.184 ( 0.000 0.000 18.366) 18.366 28.699 ( 0.000 -0.000 13.137) 13.137 28.937 ( 0.000 0.000 0.152) 0.152 29.213 ( 0.000 0.000 -6.434) 6.434 29.634 ( 0.000 0.000 6.574) 6.574 30.597 ( 0.000 0.000 -14.142) 14.142 30.854 ( 0.000 0.000 -20.909) 20.909 31.094 ( 0.000 0.000 -19.603) 19.603 ======================= Grid point 137 (29/56) ======================= q-point: ( 0.17 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.318 3.368 19.461) 19.794 1.742 ( 3.421 5.041 21.073) 21.936 2.187 ( -2.052 -6.020 10.384) 12.177 2.329 ( -4.281 -4.470 7.277) 9.553 2.489 ( -1.113 -5.148 5.271) 7.451 2.576 ( -5.353 -5.924 6.302) 10.171 2.634 ( -2.295 -7.532 6.973) 10.517 2.796 ( -5.924 -2.285 4.696) 7.897 2.902 ( 2.443 5.492 10.697) 12.271 2.983 ( 6.017 3.029 14.038) 15.570 3.109 ( 0.751 2.023 9.098) 9.350 3.242 ( 3.262 2.414 1.731) 4.412 3.288 ( 3.641 8.377 -1.330) 9.230 3.475 ( -0.145 1.203 1.305) 1.781 3.604 ( 2.584 5.572 3.462) 7.051 3.775 ( -0.286 -0.425 7.691) 7.709 3.824 ( 1.115 0.799 10.218) 10.310 3.935 ( -0.659 -4.779 3.959) 6.241 4.024 ( -2.662 -3.607 3.256) 5.541 4.091 ( -4.559 -2.798 7.042) 8.843 4.246 ( 0.476 2.312 7.013) 7.400 4.284 ( 2.271 -1.994 0.283) 3.035 4.423 ( 0.474 3.192 0.537) 3.271 4.545 ( -1.449 -2.747 1.637) 3.511 4.596 ( -1.244 -2.700 6.964) 7.572 4.800 ( 0.921 2.035 -1.602) 2.749 4.927 ( 1.909 3.145 -1.741) 4.071 17.143 ( 0.696 1.242 -0.545) 1.524 17.269 ( 3.172 5.451 -4.661) 7.842 18.304 ( 1.133 1.976 7.363) 7.707 18.325 ( 1.857 3.198 6.235) 7.249 19.024 ( -9.693 -16.759 2.084) 19.471 20.039 ( 2.618 4.564 1.883) 5.588 20.581 ( -2.328 -4.268 -8.271) 9.594 20.720 ( 0.652 1.289 -17.707) 17.766 21.036 ( -4.648 -8.060 -14.375) 17.124 22.007 ( 2.861 5.129 -5.475) 8.030 22.334 ( 0.210 0.116 -9.694) 9.697 22.454 ( 2.167 3.900 -10.424) 11.339 23.567 ( -3.892 -7.055 -8.650) 11.822 23.904 ( -2.285 -3.060 9.850) 10.565 23.984 ( 0.410 0.348 6.454) 6.476 24.143 ( 1.090 0.144 -6.694) 6.784 24.193 ( -0.332 0.955 -6.509) 6.587 24.355 ( 1.849 3.187 -0.868) 3.785 24.808 ( -1.214 -1.974 -9.862) 10.130 24.937 ( -1.032 -1.937 -12.549) 12.739 25.539 ( 1.746 2.808 -3.399) 4.742 25.770 ( 0.049 1.003 -3.619) 3.756 25.839 ( 3.388 5.141 -5.159) 8.033 26.629 ( -1.529 -2.593 -12.801) 13.151 27.115 ( -0.569 -1.329 3.096) 3.417 27.229 ( -1.200 -1.701 -0.701) 2.197 27.471 ( 3.748 6.492 10.522) 12.919 27.979 ( -3.907 -6.883 15.691) 17.574 28.183 ( 0.149 0.300 18.227) 18.230 28.725 ( -1.844 -3.860 11.160) 11.951 28.900 ( 1.310 3.007 3.597) 4.868 29.237 ( -0.295 -0.366 -7.603) 7.617 29.660 ( -0.035 -0.281 2.898) 2.912 30.539 ( 1.487 2.277 -13.076) 13.356 30.696 ( 5.324 9.590 -19.870) 22.696 31.160 ( -1.606 -2.845 -18.750) 19.032 ======================= Grid point 138 (30/56) ======================= q-point: ( 0.33 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 3.831 7.792 12.812) 15.478 1.869 ( 5.489 4.752 15.605) 17.211 2.063 ( -7.135 -7.403 11.997) 15.800 2.209 ( -6.837 -0.549 11.055) 13.010 2.336 ( -0.186 -4.466 10.358) 11.282 2.483 ( -2.619 -5.472 7.641) 9.757 2.580 ( 2.481 -4.423 4.987) 7.112 2.706 ( 0.468 -3.433 4.477) 5.661 2.972 ( 1.936 -1.002 3.491) 4.116 3.034 ( -1.021 0.480 11.067) 11.124 3.227 ( 1.149 9.977 11.726) 15.439 3.301 ( 0.384 5.284 4.810) 7.155 3.437 ( 3.220 5.448 -2.785) 6.914 3.496 ( 3.178 -0.870 4.076) 5.241 3.658 ( 0.107 0.749 5.947) 5.995 3.749 ( -3.643 -3.426 5.032) 7.094 3.801 ( -1.865 -1.430 12.583) 12.801 3.876 ( 0.457 -2.105 7.212) 7.527 3.969 ( -3.315 -1.318 4.705) 5.904 4.030 ( 2.917 1.315 -0.486) 3.237 4.258 ( -1.731 -0.833 6.693) 6.963 4.329 ( 3.734 -1.533 5.832) 7.093 4.423 ( -2.381 1.208 2.668) 3.774 4.491 ( -0.359 -0.762 -2.872) 2.993 4.579 ( 0.413 -1.850 9.382) 9.571 4.830 ( -0.408 2.772 -3.156) 4.221 4.973 ( 1.171 0.416 -3.031) 3.276 17.164 ( -0.187 1.628 -1.115) 1.982 17.359 ( 2.246 1.874 -7.648) 8.188 18.337 ( -0.025 2.196 8.640) 8.915 18.409 ( 4.210 2.218 8.690) 9.908 18.728 ( -7.404 -9.460 5.789) 13.335 20.131 ( 2.093 3.620 1.918) 4.600 20.503 ( -2.043 -2.632 -5.000) 6.008 20.757 ( 2.395 1.269 -18.629) 18.826 20.885 ( -4.185 -5.334 -16.414) 17.760 22.097 ( 1.179 4.200 -6.576) 7.891 22.333 ( 0.541 -1.564 -9.759) 9.898 22.512 ( 0.994 1.830 -12.240) 12.415 23.453 ( -2.121 -3.727 -9.382) 10.315 23.838 ( -0.763 -2.957 11.154) 11.564 23.986 ( 0.226 -0.514 8.596) 8.614 24.145 ( -1.689 2.044 -11.699) 11.996 24.225 ( 1.373 1.337 -3.103) 3.647 24.403 ( 1.414 0.427 0.474) 1.551 24.786 ( -0.570 0.135 -10.667) 10.683 24.908 ( -0.473 -0.906 -13.509) 13.548 25.551 ( 0.322 -1.431 -3.557) 3.847 25.782 ( -0.584 2.050 -4.031) 4.560 25.949 ( 2.490 3.336 -8.437) 9.408 26.582 ( -0.854 -1.817 -11.293) 11.470 27.102 ( -0.421 0.010 2.097) 2.139 27.195 ( -0.122 -1.796 -1.678) 2.461 27.588 ( 1.933 5.406 14.292) 15.402 27.861 ( -2.006 -5.325 13.767) 14.897 28.186 ( -0.044 0.221 18.359) 18.360 28.667 ( 0.027 -3.851 13.833) 14.359 28.953 ( 0.589 3.017 -0.542) 3.121 29.221 ( -0.648 -0.113 -6.155) 6.190 29.662 ( -0.930 1.784 6.584) 6.884 30.571 ( 1.395 -0.854 -14.845) 14.935 30.863 ( 3.320 7.120 -20.839) 22.270 31.091 ( -1.906 -3.802 -19.104) 19.572 ======================= Grid point 139 (31/56) ======================= q-point: (-0.50 0.17 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -8.793 0.061 12.093) 14.952 1.845 ( -6.030 -1.597 16.482) 17.623 2.046 ( 7.762 2.797 11.002) 13.752 2.223 ( 5.522 4.847 12.896) 14.842 2.368 ( 4.776 -2.823 9.006) 10.577 2.434 ( 2.758 1.327 7.927) 8.498 2.595 ( 5.008 -6.255 5.569) 9.758 2.735 ( 4.440 -1.314 3.514) 5.812 2.943 ( -1.291 -1.631 4.663) 5.106 3.055 ( 0.739 -0.037 11.204) 11.228 3.187 ( -9.863 5.244 7.694) 13.563 3.332 ( -6.628 1.965 8.734) 11.139 3.432 ( -5.987 -0.098 -1.541) 6.183 3.496 ( 0.304 -3.119 1.614) 3.525 3.662 ( -0.216 0.246 5.562) 5.572 3.744 ( 4.513 1.472 7.827) 9.154 3.809 ( 2.809 1.126 11.522) 11.913 3.860 ( -0.461 -2.122 9.056) 9.312 3.948 ( 0.851 2.400 -1.793) 3.114 4.095 ( 2.256 -2.789 4.491) 5.747 4.201 ( -0.378 0.979 2.765) 2.957 4.347 ( -2.559 -1.065 9.002) 9.420 4.438 ( 4.361 -0.541 1.607) 4.679 4.486 ( -1.137 1.475 -1.487) 2.383 4.573 ( 1.124 -1.267 8.777) 8.939 4.833 ( -1.982 1.655 -3.580) 4.414 4.972 ( -1.009 -0.797 -2.787) 3.069 17.164 ( -1.301 0.972 -1.118) 1.972 17.359 ( -2.765 -1.002 -7.640) 8.187 18.338 ( -1.884 1.124 8.676) 8.949 18.409 ( -4.030 -2.533 8.625) 9.851 18.729 ( 11.907 1.669 5.815) 13.355 20.131 ( -4.164 -0.016 1.926) 4.588 20.501 ( 3.196 0.495 -4.958) 5.920 20.758 ( -2.239 -1.453 -18.839) 19.027 20.885 ( 6.715 0.952 -16.250) 17.609 22.098 ( -4.143 1.049 -6.612) 7.873 22.331 ( 0.973 -1.209 -9.710) 9.833 22.513 ( -2.016 0.026 -12.266) 12.430 23.451 ( 4.134 0.034 -9.228) 10.112 23.842 ( 3.276 -0.944 11.278) 11.782 23.986 ( 0.267 -0.443 7.894) 7.910 24.138 ( -1.525 2.528 -10.711) 11.110 24.231 ( -1.365 -0.502 -3.460) 3.753 24.404 ( -1.079 -1.014 0.332) 1.518 24.787 ( 0.226 0.543 -10.806) 10.822 24.908 ( 0.951 -0.019 -13.422) 13.456 25.550 ( 0.957 -0.940 -3.593) 3.835 25.785 ( -1.177 1.441 -3.953) 4.369 25.947 ( -4.336 -0.444 -8.484) 9.538 26.582 ( 2.032 -0.183 -11.310) 11.493 27.099 ( 0.038 0.420 2.062) 2.104 27.198 ( 1.791 -0.848 -1.622) 2.561 27.588 ( -5.645 1.021 14.225) 15.338 27.859 ( 5.559 -0.895 13.825) 14.927 28.186 ( -0.150 0.141 18.366) 18.367 28.665 ( 3.064 -1.837 13.883) 14.336 28.956 ( -2.612 0.869 -0.772) 2.859 29.222 ( 0.498 0.475 -5.960) 6.000 29.661 ( -1.193 1.744 6.536) 6.869 30.570 ( -0.085 -1.582 -14.735) 14.820 30.866 ( -7.686 0.597 -20.999) 22.370 31.090 ( 4.235 -0.216 -19.023) 19.490 ======================= Grid point 144 (32/56) ======================= q-point: ( 0.33 0.33 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 -0.000 8.932) 8.932 1.920 ( 0.000 -0.000 12.445) 12.445 1.942 ( -0.000 -0.000 13.120) 13.120 2.208 ( 0.000 0.000 10.451) 10.451 2.311 ( -0.000 0.000 10.569) 10.569 2.335 ( 0.000 -0.000 14.102) 14.102 2.625 ( 0.000 0.000 5.103) 5.103 2.626 ( -0.000 -0.000 3.621) 3.621 2.944 ( 0.000 -0.000 2.732) 2.732 3.041 ( -0.000 -0.000 12.031) 12.031 3.341 ( 0.000 -0.000 5.153) 5.153 3.422 ( 0.000 0.000 6.868) 6.868 3.426 ( -0.000 -0.000 2.325) 2.325 3.533 ( -0.000 -0.000 -0.897) 0.897 3.656 ( -0.000 -0.000 -3.088) 3.088 3.680 ( 0.000 0.000 13.858) 13.858 3.788 ( -0.000 -0.000 15.671) 15.671 3.846 ( -0.000 -0.000 13.848) 13.848 3.928 ( -0.000 -0.000 1.610) 1.610 4.135 ( -0.000 -0.000 -1.290) 1.290 4.182 ( 0.000 -0.000 -0.515) 0.515 4.308 ( 0.000 -0.000 8.055) 8.055 4.445 ( -0.000 -0.000 5.812) 5.812 4.503 ( -0.000 -0.000 -2.118) 2.118 4.544 ( 0.000 -0.000 8.660) 8.660 4.865 ( -0.000 -0.000 -3.927) 3.927 4.973 ( -0.000 -0.000 -2.597) 2.597 17.184 ( -0.000 -0.000 -1.728) 1.728 17.377 ( -0.000 -0.000 -8.315) 8.315 18.373 ( -0.000 -0.000 13.500) 13.500 18.427 ( 0.000 -0.000 6.320) 6.320 18.622 ( 0.000 0.000 5.213) 5.213 20.174 ( -0.000 -0.000 1.531) 1.531 20.472 ( -0.000 -0.000 -2.732) 2.732 20.783 ( -0.000 -0.000 -18.637) 18.637 20.813 ( 0.000 0.000 -17.753) 17.753 22.152 ( -0.000 -0.000 -6.741) 6.741 22.306 ( -0.000 -0.000 -9.712) 9.712 22.532 ( -0.000 -0.000 -13.034) 13.034 23.413 ( -0.000 -0.000 -10.158) 10.158 23.803 ( -0.000 -0.000 11.689) 11.689 23.979 ( -0.000 -0.000 8.035) 8.035 24.171 ( -0.000 -0.000 -11.768) 11.768 24.242 ( -0.000 -0.000 -1.342) 1.342 24.404 ( -0.000 -0.000 0.888) 0.888 24.789 ( -0.000 -0.000 -11.423) 11.423 24.899 ( -0.000 -0.000 -13.794) 13.794 25.533 ( -0.000 -0.000 -3.672) 3.672 25.806 ( -0.000 -0.000 -4.182) 4.182 25.986 ( -0.000 -0.000 -9.563) 9.563 26.560 ( -0.000 -0.000 -10.709) 10.709 27.105 ( -0.000 -0.000 2.456) 2.456 27.172 ( -0.000 -0.000 -2.659) 2.659 27.669 ( -0.000 -0.000 17.511) 17.511 27.780 ( -0.000 -0.000 11.126) 11.126 28.188 ( -0.000 -0.000 18.408) 18.408 28.624 ( 0.000 -0.000 15.128) 15.128 28.985 ( -0.000 -0.000 -2.824) 2.824 29.222 ( -0.000 -0.000 -5.252) 5.252 29.687 ( -0.000 -0.000 7.841) 7.841 30.558 ( -0.000 -0.000 -15.833) 15.833 30.983 ( -0.000 -0.000 -26.199) 26.199 31.006 ( 0.000 0.000 -13.607) 13.607 ======================= Grid point 172 (33/56) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 0.000 0.000 22.481) 22.481 2.098 ( -0.000 0.000 22.481) 22.481 2.481 ( 0.000 0.000 7.845) 7.845 2.603 ( 0.000 0.000 3.792) 3.792 2.603 ( 0.000 0.000 3.792) 3.792 2.699 ( 0.000 0.000 2.401) 2.401 2.699 ( 0.000 0.000 2.401) 2.401 3.052 ( 0.000 0.000 8.940) 8.940 3.076 ( 0.000 0.000 4.019) 4.019 3.165 ( 0.000 -0.000 5.849) 5.849 3.173 ( 0.000 0.000 1.628) 1.628 3.173 ( 0.000 0.000 1.628) 1.628 3.382 ( 0.000 0.000 16.685) 16.685 3.449 ( 0.000 0.000 0.104) 0.104 3.449 ( 0.000 0.000 0.104) 0.104 3.852 ( 0.000 0.000 0.174) 0.174 3.852 ( 0.000 0.000 0.174) 0.174 4.099 ( 0.000 0.000 -5.162) 5.162 4.099 ( 0.000 0.000 -5.162) 5.162 4.122 ( 0.000 0.000 1.709) 1.709 4.325 ( 0.000 -0.000 3.816) 3.816 4.416 ( 0.000 -0.000 8.777) 8.777 4.416 ( 0.000 0.000 8.777) 8.777 4.591 ( 0.000 0.000 1.552) 1.552 4.864 ( -0.000 0.000 7.422) 7.422 4.864 ( 0.000 0.000 7.422) 7.422 4.879 ( 0.000 0.000 8.290) 8.290 17.125 ( 0.000 0.000 0.574) 0.574 17.125 ( 0.000 0.000 0.574) 0.574 18.363 ( 0.000 0.000 5.050) 5.050 18.363 ( 0.000 0.000 5.050) 5.050 19.212 ( 0.000 0.000 -12.267) 12.267 19.980 ( 0.000 0.000 1.349) 1.349 20.487 ( 0.000 0.000 -9.226) 9.226 20.487 ( 0.000 0.000 -9.226) 9.226 20.820 ( -0.000 0.000 -22.235) 22.235 22.009 ( -0.000 0.000 7.377) 7.377 22.183 ( 0.000 0.000 -5.167) 5.167 22.183 ( 0.000 0.000 -5.167) 5.167 23.566 ( 0.000 -0.000 -10.400) 10.400 23.893 ( 0.000 0.000 -8.811) 8.811 23.893 ( 0.000 0.000 -8.811) 8.811 24.092 ( -0.000 0.000 2.252) 2.252 24.297 ( 0.000 0.000 6.134) 6.134 24.297 ( -0.000 0.000 6.134) 6.134 24.797 ( 0.000 -0.000 -7.513) 7.513 24.797 ( 0.000 0.000 -7.513) 7.513 25.269 ( 0.000 -0.000 -2.318) 2.318 25.731 ( 0.000 0.000 -1.651) 1.651 25.731 ( 0.000 0.000 -1.651) 1.651 26.418 ( 0.000 -0.000 -11.454) 11.454 27.272 ( 0.000 0.000 -0.231) 0.231 27.272 ( 0.000 0.000 -0.231) 0.231 27.411 ( 0.000 -0.000 11.152) 11.152 28.491 ( 0.000 -0.000 14.321) 14.321 28.491 ( 0.000 0.000 14.321) 14.321 28.860 ( 0.000 0.000 -14.549) 14.549 28.983 ( 0.000 -0.000 4.100) 4.100 28.983 ( 0.000 0.000 4.100) 4.100 29.622 ( 0.000 0.000 -4.792) 4.792 30.233 ( 0.000 0.000 -10.136) 10.136 30.233 ( 0.000 0.000 -10.136) 10.136 30.877 ( 0.000 0.000 -15.245) 15.245 ======================= Grid point 173 (34/56) ======================= q-point: ( 0.17 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -5.293 -3.109 20.147) 21.061 2.111 ( 1.091 0.626 21.064) 21.102 2.450 ( -2.666 -1.546 10.100) 10.559 2.539 ( -3.912 -0.602 4.819) 6.236 2.597 ( 0.000 -1.765 5.953) 6.209 2.742 ( 2.911 0.044 2.014) 3.540 2.764 ( 0.564 2.223 3.151) 3.897 2.950 ( -7.971 -4.654 2.647) 9.603 3.059 ( -3.514 -3.362 3.096) 5.765 3.119 ( 3.318 0.929 3.007) 4.573 3.167 ( -1.864 4.138 4.946) 6.713 3.239 ( 6.380 0.346 6.714) 9.268 3.352 ( -1.722 -0.407 8.766) 8.943 3.502 ( 3.465 1.396 4.680) 5.988 3.529 ( 5.141 3.343 1.345) 6.278 3.857 ( -0.228 -0.495 -0.662) 0.857 3.886 ( 2.353 1.788 -0.123) 2.957 4.021 ( -3.965 -2.467 -1.605) 4.938 4.104 ( -0.631 0.396 -2.758) 2.857 4.185 ( 3.871 1.279 -0.495) 4.107 4.322 ( -2.187 -0.162 4.888) 5.357 4.379 ( -0.059 -0.960 6.965) 7.031 4.447 ( 1.940 1.245 9.141) 9.428 4.598 ( -0.113 -0.027 1.964) 1.967 4.794 ( -3.188 -1.777 7.196) 8.068 4.854 ( -0.687 -0.440 7.008) 7.055 4.942 ( 2.659 1.531 7.762) 8.346 17.129 ( 0.351 0.198 0.394) 0.564 17.156 ( 2.467 1.429 -0.698) 2.935 18.383 ( 1.600 0.901 5.078) 5.400 18.396 ( 2.997 1.755 5.585) 6.577 19.144 ( -5.982 -3.456 -8.183) 10.709 20.008 ( 2.550 1.470 1.246) 3.196 20.442 ( -3.141 -1.865 -9.747) 10.409 20.476 ( -0.896 -0.453 -9.101) 9.156 20.785 ( -3.458 -2.005 -20.864) 21.243 21.976 ( -1.099 -0.628 4.975) 5.133 22.186 ( 0.303 0.137 -5.305) 5.315 22.240 ( 3.304 1.936 -5.270) 6.515 23.487 ( -6.271 -3.618 -10.847) 13.041 23.875 ( -0.913 -0.414 -9.077) 9.133 23.926 ( 2.696 1.419 -7.540) 8.132 24.128 ( 2.078 1.332 2.445) 3.474 24.261 ( -3.049 -2.044 6.898) 7.814 24.333 ( 2.895 1.840 5.061) 6.114 24.716 ( -4.741 -2.720 -6.222) 8.283 24.783 ( -1.151 -0.678 -7.002) 7.128 25.373 ( 6.538 3.787 -4.900) 9.006 25.711 ( -1.404 -0.934 -2.445) 2.970 25.734 ( 0.413 0.353 -2.006) 2.078 26.409 ( -0.795 -0.461 -11.114) 11.152 27.204 ( -3.685 -2.077 1.457) 4.474 27.249 ( -1.873 -1.139 -0.669) 2.292 27.531 ( 7.972 4.610 9.550) 13.267 28.372 ( -7.944 -4.578 11.025) 14.339 28.496 ( 0.408 0.219 14.423) 14.430 28.861 ( 0.305 0.219 -1.210) 1.267 28.980 ( -0.311 -0.132 4.203) 4.216 29.069 ( 4.148 2.289 -4.024) 6.216 29.621 ( 0.723 0.454 -4.594) 4.672 30.256 ( 2.030 1.048 -12.381) 12.590 30.282 ( 3.785 2.296 -10.099) 11.026 30.862 ( -1.362 -0.786 -15.070) 15.151 ======================= Grid point 174 (35/56) ======================= q-point: ( 0.33 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.462 -0.811 16.354) 16.380 2.139 ( 1.242 1.009 17.218) 17.292 2.357 ( -6.760 -1.963 10.538) 12.673 2.496 ( -3.225 0.708 7.127) 7.855 2.538 ( -0.045 -5.598 10.863) 12.221 2.673 ( -5.530 -0.124 8.395) 10.053 2.774 ( 1.998 -2.749 1.712) 3.805 2.863 ( -3.629 -1.046 3.271) 4.996 2.999 ( 0.901 0.419 2.392) 2.591 3.137 ( -1.727 1.026 3.766) 4.268 3.248 ( 4.225 3.374 -1.635) 5.648 3.308 ( -1.165 -0.360 2.811) 3.064 3.386 ( 6.239 1.149 6.743) 9.258 3.589 ( 4.799 2.143 5.905) 7.905 3.639 ( 3.183 3.544 0.940) 4.855 3.808 ( -2.686 -3.639 -5.042) 6.773 3.941 ( 2.010 -0.426 2.183) 2.998 3.972 ( -0.827 3.199 0.462) 3.336 4.089 ( -1.141 0.183 6.174) 6.282 4.164 ( -3.524 -4.463 4.877) 7.491 4.325 ( 0.459 4.545 3.315) 5.644 4.400 ( 1.412 -3.043 -0.843) 3.459 4.482 ( 1.022 0.219 9.098) 9.158 4.588 ( 0.524 0.623 5.666) 5.724 4.736 ( -2.703 -0.477 5.338) 6.003 4.841 ( -0.065 -0.621 6.566) 6.596 4.988 ( 1.348 0.790 6.782) 6.959 17.138 ( 0.343 0.184 0.039) 0.391 17.218 ( 2.509 1.463 -3.375) 4.453 18.421 ( 1.546 0.831 5.138) 5.430 18.500 ( 6.116 3.623 6.651) 9.735 18.958 ( -9.773 -5.683 -0.030) 11.305 20.092 ( 4.405 2.501 0.630) 5.105 20.381 ( -1.625 -1.163 -10.217) 10.411 20.459 ( -0.382 0.224 -9.881) 9.891 20.663 ( -6.746 -4.057 -17.407) 19.104 21.988 ( 1.650 0.999 1.224) 2.284 22.196 ( 0.605 0.180 -5.596) 5.632 22.294 ( 1.282 0.838 -6.861) 7.030 23.335 ( -6.039 -3.443 -10.858) 12.893 23.864 ( -0.190 -0.062 -10.400) 10.402 23.976 ( 0.996 0.452 -4.019) 4.165 24.161 ( -1.956 2.510 4.287) 5.339 24.192 ( 1.268 -3.319 5.440) 6.497 24.409 ( 2.934 2.051 3.150) 4.768 24.639 ( -2.178 -1.018 -5.932) 6.401 24.752 ( -1.252 -0.872 -5.502) 5.709 25.477 ( 1.956 1.316 -5.571) 6.050 25.683 ( -0.494 -0.842 -4.312) 4.421 25.759 ( 1.525 1.277 -4.694) 5.098 26.387 ( -0.959 -0.571 -10.214) 10.274 27.139 ( -1.999 -0.949 0.997) 2.427 27.201 ( -1.886 -1.314 -1.482) 2.735 27.716 ( 7.629 4.430 10.404) 13.641 28.203 ( -6.431 -3.693 10.809) 13.109 28.505 ( 0.351 0.150 14.647) 14.652 28.871 ( 0.331 0.251 3.015) 3.044 28.973 ( -0.452 0.227 3.821) 3.855 29.105 ( 0.076 -0.641 -4.597) 4.642 29.661 ( 1.957 1.382 -3.090) 3.910 30.307 ( 2.135 0.904 -14.153) 14.341 30.385 ( 4.715 2.966 -13.374) 14.487 30.817 ( -2.440 -1.408 -14.327) 14.601 ======================= Grid point 175 (36/56) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 0.000 13.543) 13.543 2.190 ( 0.000 0.000 13.818) 13.818 2.216 ( 0.000 0.000 10.977) 10.977 2.459 ( 0.000 -0.000 14.169) 14.169 2.537 ( 0.000 -0.000 7.575) 7.575 2.626 ( 0.000 0.000 11.906) 11.906 2.774 ( -0.000 0.000 4.191) 4.191 2.810 ( 0.000 -0.000 2.026) 2.026 3.032 ( 0.000 0.000 1.672) 1.672 3.123 ( 0.000 -0.000 3.313) 3.313 3.258 ( -0.000 0.000 3.158) 3.158 3.342 ( 0.000 0.000 -3.513) 3.513 3.446 ( 0.000 0.000 3.143) 3.143 3.637 ( -0.000 0.000 -2.466) 2.466 3.712 ( 0.000 0.000 6.278) 6.278 3.751 ( 0.000 -0.000 -3.697) 3.697 3.958 ( 0.000 -0.000 4.028) 4.028 3.986 ( -0.000 0.000 -1.322) 1.322 4.049 ( 0.000 -0.000 14.423) 14.423 4.137 ( 0.000 0.000 5.260) 5.260 4.342 ( 0.000 -0.000 0.836) 0.836 4.376 ( 0.000 0.000 -2.313) 2.313 4.491 ( 0.000 0.000 9.044) 9.044 4.629 ( 0.000 0.000 11.083) 11.083 4.692 ( 0.000 -0.000 0.322) 0.322 4.839 ( 0.000 0.000 6.720) 6.720 5.003 ( 0.000 -0.000 6.234) 6.234 17.142 ( 0.000 0.000 -0.137) 0.137 17.249 ( 0.000 0.000 -4.797) 4.797 18.440 ( 0.000 0.000 5.156) 5.156 18.625 ( 0.000 0.000 7.061) 7.061 18.786 ( -0.000 -0.000 3.946) 3.946 20.155 ( 0.000 0.000 0.232) 0.232 20.366 ( 0.000 0.000 -8.421) 8.421 20.480 ( 0.000 0.000 -13.037) 13.037 20.542 ( -0.000 -0.000 -14.879) 14.879 22.014 ( 0.000 0.000 -0.512) 0.512 22.204 ( 0.000 0.000 -5.698) 5.698 22.306 ( 0.000 0.000 -7.846) 7.846 23.260 ( 0.000 0.000 -10.576) 10.576 23.863 ( 0.000 0.000 -11.288) 11.288 23.977 ( 0.000 0.000 -0.610) 0.610 24.144 ( 0.000 0.000 6.157) 6.157 24.211 ( 0.000 -0.000 2.163) 2.163 24.447 ( 0.000 0.000 2.126) 2.126 24.615 ( 0.000 0.000 -6.372) 6.372 24.735 ( 0.000 0.000 -4.298) 4.298 25.491 ( 0.000 0.000 -4.816) 4.816 25.676 ( 0.000 0.000 -4.849) 4.849 25.785 ( 0.000 0.000 -7.345) 7.345 26.374 ( 0.000 0.000 -9.608) 9.608 27.118 ( 0.000 0.000 0.651) 0.651 27.176 ( 0.000 0.000 -1.892) 1.892 27.822 ( 0.000 0.000 11.215) 11.215 28.115 ( -0.000 0.000 10.978) 10.978 28.509 ( 0.000 0.000 14.769) 14.769 28.874 ( 0.000 -0.000 3.984) 3.984 28.972 ( 0.000 0.000 3.317) 3.317 29.097 ( 0.000 0.000 -4.497) 4.497 29.687 ( 0.000 0.000 -1.964) 1.964 30.331 ( 0.000 0.000 -13.608) 13.608 30.454 ( 0.000 0.000 -16.892) 16.892 30.780 ( 0.000 0.000 -13.283) 13.283 ======================= Grid point 180 (37/56) ======================= q-point: ( 0.17 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -1.378 -1.724 17.429) 17.568 2.133 ( 0.920 1.383 18.611) 18.685 2.404 ( -0.670 -4.835 11.131) 12.154 2.474 ( -1.501 -2.966 7.574) 8.271 2.595 ( -3.847 -0.215 5.716) 6.893 2.693 ( -0.617 -6.078 5.656) 8.325 2.746 ( -3.218 -2.737 5.953) 7.299 2.867 ( -3.031 -3.586 2.678) 5.405 2.989 ( 0.487 -0.071 3.080) 3.119 3.189 ( 1.019 2.085 0.801) 2.455 3.223 ( 6.260 1.875 0.670) 6.569 3.289 ( -1.507 3.123 4.248) 5.483 3.372 ( 1.978 5.328 7.861) 9.701 3.525 ( 0.703 1.148 4.613) 4.805 3.643 ( 4.078 6.380 2.280) 7.908 3.824 ( -2.733 -2.294 -3.360) 4.901 3.927 ( 0.509 0.542 -1.399) 1.584 3.966 ( 1.058 -0.319 2.831) 3.039 4.115 ( 0.326 -2.173 2.944) 3.674 4.203 ( -3.109 2.511 3.495) 5.309 4.278 ( 1.554 -5.105 2.208) 5.775 4.406 ( 0.469 4.594 5.768) 7.389 4.478 ( 0.025 0.395 6.339) 6.351 4.579 ( -0.404 -1.337 4.331) 4.551 4.748 ( -1.075 -2.949 6.006) 6.776 4.854 ( 0.157 0.901 6.807) 6.868 4.975 ( 0.794 1.360 6.926) 7.103 17.139 ( 0.363 0.654 0.010) 0.748 17.199 ( 1.533 2.629 -2.566) 3.981 18.424 ( 1.569 2.928 5.093) 6.081 18.452 ( 2.513 4.113 6.465) 8.064 19.015 ( -5.403 -9.314 -2.123) 10.975 20.066 ( 2.498 4.373 0.787) 5.098 20.394 ( -1.442 -2.173 -10.549) 10.866 20.460 ( -0.288 -1.052 -9.131) 9.196 20.703 ( -3.701 -6.251 -18.350) 19.735 21.982 ( 1.044 1.743 2.103) 2.924 22.189 ( -0.009 0.225 -5.281) 5.286 22.285 ( 1.136 1.826 -6.605) 6.946 23.369 ( -4.185 -7.303 -10.957) 13.817 23.877 ( 0.220 0.160 -10.097) 10.101 23.964 ( 1.059 2.215 -5.295) 5.836 24.143 ( 0.213 -1.777 4.046) 4.424 24.219 ( -1.517 0.198 5.991) 6.183 24.384 ( 2.088 2.920 3.757) 5.196 24.656 ( -1.361 -2.637 -5.923) 6.624 24.759 ( -0.938 -1.438 -5.899) 6.144 25.457 ( 1.817 2.926 -5.807) 6.752 25.692 ( -0.559 -0.103 -4.072) 4.111 25.750 ( 1.043 1.125 -3.486) 3.809 26.392 ( -0.695 -1.181 -10.497) 10.586 27.153 ( -1.258 -2.501 0.977) 2.965 27.210 ( -1.633 -2.475 -1.070) 3.152 27.673 ( 5.068 8.739 10.058) 14.255 28.242 ( -4.303 -7.487 10.803) 13.830 28.504 ( 0.196 0.424 14.508) 14.515 28.861 ( -0.036 -0.226 2.615) 2.625 28.977 ( 0.054 -0.461 3.909) 3.936 29.109 ( 0.186 1.233 -4.674) 4.838 29.656 ( 1.952 3.014 -3.702) 5.158 30.275 ( 0.286 0.895 -13.832) 13.864 30.371 ( 3.531 5.841 -12.340) 14.102 30.831 ( -1.358 -2.355 -14.597) 14.848 ======================= Grid point 181 (38/56) ======================= q-point: ( 0.33 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 0.974 3.781 13.778) 14.321 2.170 ( 1.976 1.578 14.878) 15.091 2.280 ( -7.467 -6.495 9.924) 14.015 2.437 ( 1.042 -1.373 11.684) 11.810 2.520 ( -0.433 -2.089 7.924) 8.206 2.644 ( -0.770 -4.042 8.194) 9.169 2.700 ( -0.144 0.400 8.251) 8.262 2.803 ( 0.479 -3.560 5.478) 6.551 3.022 ( 1.316 -0.368 2.462) 2.816 3.157 ( -2.340 0.377 1.532) 2.823 3.320 ( -1.120 3.906 -0.639) 4.113 3.359 ( 1.571 5.231 -2.653) 6.072 3.427 ( 1.560 3.259 5.081) 6.235 3.564 ( 3.386 -2.811 0.300) 4.411 3.690 ( -0.801 -4.879 -0.202) 4.949 3.824 ( 0.750 9.317 1.331) 9.442 3.916 ( 0.212 -1.200 0.736) 1.424 4.031 ( 0.353 1.154 6.596) 6.706 4.071 ( 0.132 -0.728 4.252) 4.316 4.142 ( -4.362 1.328 10.528) 11.473 4.281 ( 3.279 -6.984 -3.232) 8.365 4.405 ( -3.025 -0.722 5.303) 6.147 4.482 ( 1.489 3.109 3.922) 5.221 4.607 ( 2.362 1.188 8.658) 9.052 4.690 ( -1.761 -4.346 3.708) 5.979 4.876 ( -0.739 3.693 6.727) 7.710 4.990 ( 0.708 -0.850 5.827) 5.931 17.149 ( -0.088 0.832 -0.433) 0.942 17.242 ( 1.046 0.829 -4.492) 4.686 18.467 ( -0.684 3.738 5.235) 6.469 18.568 ( 6.278 2.852 7.310) 10.049 18.815 ( -6.377 -8.003 3.429) 10.793 20.152 ( 1.958 3.086 0.202) 3.660 20.372 ( -0.245 0.779 -9.666) 9.700 20.461 ( 1.581 -0.270 -11.029) 11.145 20.562 ( -4.693 -5.633 -15.535) 17.178 22.028 ( 0.552 2.774 -0.693) 2.912 22.193 ( 0.577 -0.430 -4.855) 4.908 22.303 ( 0.203 -0.133 -8.373) 8.377 23.252 ( -1.800 -4.132 -10.734) 11.642 23.874 ( -0.553 0.337 -9.546) 9.568 23.990 ( -0.363 1.300 -2.931) 3.227 24.107 ( 0.519 -3.611 5.244) 6.389 24.241 ( 0.016 3.964 3.642) 5.383 24.434 ( 1.351 0.486 2.410) 2.805 24.619 ( -0.876 -1.321 -6.642) 6.828 24.737 ( -0.362 -0.263 -4.107) 4.131 25.473 ( 0.351 -1.503 -5.023) 5.255 25.698 ( -0.507 2.250 -4.756) 5.285 25.781 ( 0.933 0.610 -7.284) 7.368 26.370 ( -0.281 -0.976 -9.691) 9.744 27.122 ( -0.598 -0.698 -0.287) 0.963 27.165 ( -0.448 -1.936 -0.897) 2.180 27.834 ( 3.282 7.123 11.035) 13.538 28.107 ( -2.841 -5.918 11.320) 13.086 28.508 ( 0.075 0.090 14.440) 14.440 28.856 ( 0.494 -1.264 4.982) 5.164 28.971 ( -0.167 -0.569 2.277) 2.352 29.113 ( -0.514 1.390 -4.004) 4.269 29.713 ( 0.093 3.350 -2.196) 4.007 30.285 ( 1.641 -2.229 -14.503) 14.765 30.478 ( 1.582 4.996 -16.037) 16.871 30.780 ( -1.290 -2.147 -13.287) 13.521 ======================= Grid point 182 (39/56) ======================= q-point: (-0.50 0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -3.621 0.796 13.415) 13.918 2.157 ( -1.668 -0.420 14.876) 14.975 2.263 ( 6.684 2.726 11.032) 13.184 2.463 ( 1.004 -0.201 10.185) 10.236 2.520 ( 4.703 -2.484 8.229) 9.798 2.625 ( 0.613 0.746 10.028) 10.074 2.720 ( 2.965 -2.189 7.698) 8.535 2.808 ( 2.654 -1.356 4.254) 5.194 3.008 ( -1.001 -1.062 2.772) 3.132 3.164 ( 0.705 2.218 0.761) 2.448 3.298 ( -4.191 3.421 3.185) 6.278 3.348 ( -5.397 0.239 -3.966) 6.702 3.468 ( -1.977 1.631 2.886) 3.860 3.561 ( 0.627 -5.933 1.627) 6.183 3.669 ( 2.590 0.009 -0.221) 2.600 3.847 ( -5.152 2.445 -1.651) 5.937 3.925 ( 0.623 -0.742 1.398) 1.701 4.002 ( -3.245 0.767 7.385) 8.103 4.071 ( 0.617 0.580 10.905) 10.938 4.158 ( 2.746 3.782 -0.545) 4.705 4.259 ( 2.090 -5.492 4.800) 7.588 4.412 ( 3.078 0.742 2.142) 3.823 4.508 ( -2.192 0.739 4.203) 4.797 4.596 ( -2.517 -2.164 7.446) 8.152 4.681 ( 3.878 0.087 5.106) 6.413 4.880 ( -2.467 2.290 6.605) 7.413 4.989 ( 0.379 -1.047 5.793) 5.899 17.149 ( -0.666 0.489 -0.437) 0.935 17.242 ( -1.251 -0.489 -4.487) 4.684 18.468 ( -2.845 2.504 5.261) 6.484 18.566 ( -5.643 -4.014 7.252) 10.027 18.816 ( 10.112 1.477 3.458) 10.788 20.153 ( -3.619 -0.175 0.213) 3.629 20.377 ( -0.509 0.573 -9.227) 9.259 20.450 ( -0.433 -1.161 -11.810) 11.875 20.567 ( 7.012 0.961 -15.197) 16.764 22.027 ( -2.709 0.920 -0.845) 2.984 22.195 ( 0.199 -0.765 -4.556) 4.624 22.302 ( -0.051 -0.211 -8.529) 8.532 23.252 ( 4.444 -0.492 -10.699) 11.595 23.875 ( -0.013 0.625 -10.084) 10.103 23.989 ( -0.881 0.992 -1.812) 2.245 24.102 ( 2.079 -1.929 4.354) 5.196 24.251 ( -2.375 1.535 4.055) 4.944 24.433 ( -1.348 -0.896 2.434) 2.924 24.615 ( 1.392 0.219 -6.912) 7.054 24.739 ( 0.539 0.116 -3.993) 4.031 25.472 ( 0.977 -0.985 -5.014) 5.203 25.703 ( -1.284 1.477 -4.703) 5.094 25.777 ( -1.278 -0.478 -7.342) 7.468 26.370 ( 1.000 -0.251 -9.702) 9.757 27.119 ( 0.767 0.205 -0.175) 0.813 27.168 ( 2.051 -0.621 -1.017) 2.372 27.834 ( -7.827 0.726 11.026) 13.541 28.107 ( 6.531 -0.494 11.358) 13.112 28.509 ( -0.079 -0.032 14.454) 14.454 28.856 ( 0.822 -1.081 5.131) 5.308 28.967 ( 0.199 0.087 1.764) 1.777 29.119 ( -0.443 0.893 -3.660) 3.793 29.710 ( -3.132 1.663 -2.260) 4.205 30.286 ( 1.270 -2.601 -14.323) 14.612 30.477 ( -5.215 1.173 -16.192) 17.051 30.780 ( 2.503 0.044 -13.258) 13.492 ======================= Grid point 187 (40/56) ======================= q-point: ( 0.33 0.33 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -0.000 -0.000 10.946) 10.946 2.167 ( 0.000 -0.000 12.234) 12.234 2.199 ( -0.000 0.000 12.979) 12.979 2.420 ( 0.000 -0.000 10.970) 10.970 2.481 ( -0.000 -0.000 6.791) 6.791 2.604 ( 0.000 -0.000 12.237) 12.237 2.740 ( 0.000 0.000 8.156) 8.156 2.745 ( -0.000 -0.000 7.516) 7.516 3.003 ( 0.000 -0.000 3.391) 3.391 3.162 ( -0.000 -0.000 0.468) 0.468 3.369 ( -0.000 -0.000 -2.036) 2.036 3.462 ( -0.000 0.000 -2.609) 2.609 3.482 ( 0.000 -0.000 -2.770) 2.770 3.486 ( -0.000 0.000 4.035) 4.035 3.618 ( -0.000 -0.000 -1.039) 1.039 3.888 ( 0.000 -0.000 0.997) 0.997 3.970 ( -0.000 -0.000 11.192) 11.192 4.039 ( -0.000 0.000 1.681) 1.681 4.104 ( -0.000 0.000 5.366) 5.366 4.124 ( 0.000 -0.000 3.001) 3.001 4.180 ( -0.000 -0.000 4.945) 4.945 4.372 ( -0.000 -0.000 5.837) 5.837 4.570 ( -0.000 -0.000 -5.712) 5.712 4.599 ( 0.000 0.000 8.727) 8.727 4.625 ( -0.000 -0.000 10.785) 10.785 4.938 ( -0.000 0.000 10.343) 10.343 4.960 ( 0.000 -0.000 1.502) 1.502 17.160 ( -0.000 -0.000 -0.858) 0.858 17.249 ( -0.000 -0.000 -4.882) 4.882 18.529 ( -0.000 -0.000 4.185) 4.185 18.599 ( 0.000 -0.000 10.026) 10.026 18.707 ( 0.000 0.000 3.649) 3.649 20.186 ( -0.000 -0.000 -0.312) 0.312 20.404 ( -0.000 -0.000 -3.959) 3.959 20.449 ( -0.000 -0.000 -19.529) 19.529 20.487 ( 0.000 0.000 -11.734) 11.734 22.065 ( -0.000 -0.000 -2.264) 2.264 22.185 ( -0.000 0.000 -2.879) 2.879 22.298 ( -0.000 -0.000 -10.035) 10.035 23.207 ( -0.000 -0.000 -10.661) 10.661 23.873 ( -0.000 -0.000 -7.706) 7.706 24.013 ( 0.000 -0.000 -3.377) 3.377 24.067 ( -0.000 -0.000 4.151) 4.151 24.286 ( -0.000 -0.000 4.250) 4.250 24.436 ( -0.000 -0.000 2.301) 2.301 24.601 ( -0.000 -0.000 -7.954) 7.954 24.737 ( -0.000 -0.000 -2.995) 2.995 25.453 ( -0.000 -0.000 -5.048) 5.048 25.730 ( -0.000 -0.000 -3.451) 3.451 25.784 ( 0.000 -0.000 -9.878) 9.878 26.358 ( -0.000 -0.000 -9.441) 9.441 27.117 ( -0.000 -0.000 -2.891) 2.891 27.141 ( 0.000 0.000 1.362) 1.362 27.972 ( -0.000 -0.000 8.485) 8.485 27.983 ( 0.000 0.000 14.606) 14.606 28.509 ( -0.000 -0.000 14.107) 14.107 28.841 ( -0.000 -0.000 6.649) 6.649 28.965 ( -0.000 -0.000 0.648) 0.648 29.130 ( -0.000 -0.000 -3.345) 3.345 29.755 ( -0.000 -0.000 -1.796) 1.796 30.255 ( -0.000 -0.000 -14.937) 14.937 30.536 ( -0.000 -0.000 -17.925) 17.925 30.753 ( 0.000 -0.000 -11.965) 11.965 ======================= Grid point 215 (41/56) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 0.000 0.000 13.713) 13.713 2.466 ( 0.000 0.000 13.713) 13.713 2.637 ( 0.000 0.000 8.276) 8.276 2.680 ( 0.000 0.000 3.724) 3.724 2.680 ( 0.000 0.000 3.724) 3.724 2.768 ( 0.000 0.000 5.965) 5.965 2.768 ( 0.000 -0.000 5.965) 5.965 3.088 ( 0.000 0.000 -1.427) 1.427 3.115 ( 0.000 0.000 0.257) 0.257 3.206 ( -0.000 0.000 1.800) 1.800 3.206 ( 0.000 0.000 1.800) 1.800 3.289 ( 0.000 0.000 4.463) 4.463 3.450 ( 0.000 0.000 0.263) 0.263 3.450 ( 0.000 0.000 0.263) 0.263 3.660 ( 0.000 0.000 9.969) 9.969 3.769 ( 0.000 0.000 -8.317) 8.317 3.769 ( 0.000 0.000 -8.317) 8.317 3.987 ( 0.000 0.000 -4.625) 4.625 3.987 ( 0.000 0.000 -4.625) 4.625 4.177 ( -0.000 0.000 3.973) 3.973 4.379 ( -0.000 0.000 1.201) 1.201 4.595 ( 0.000 -0.000 8.131) 8.131 4.595 ( 0.000 0.000 8.131) 8.131 4.661 ( 0.000 0.000 5.971) 5.971 5.014 ( 0.000 0.000 7.079) 7.079 5.014 ( -0.000 0.000 7.079) 7.079 5.019 ( -0.000 0.000 5.294) 5.294 17.138 ( 0.000 0.000 0.669) 0.669 17.138 ( 0.000 0.000 0.669) 0.669 18.448 ( 0.000 0.000 3.582) 3.582 18.448 ( 0.000 0.000 3.582) 3.582 19.009 ( 0.000 0.000 -8.325) 8.325 20.009 ( -0.000 0.000 1.668) 1.668 20.340 ( 0.000 -0.000 -5.726) 5.726 20.340 ( 0.000 0.000 -5.726) 5.726 20.433 ( -0.000 0.000 -16.570) 16.570 22.111 ( 0.000 -0.000 -2.436) 2.436 22.111 ( 0.000 -0.000 -2.436) 2.436 22.151 ( 0.000 0.000 6.634) 6.634 23.370 ( -0.000 0.000 -9.089) 9.089 23.719 ( 0.000 0.000 -7.921) 7.921 23.719 ( 0.000 0.000 -7.921) 7.921 24.169 ( 0.000 0.000 5.349) 5.349 24.414 ( 0.000 0.000 5.303) 5.303 24.414 ( 0.000 0.000 5.303) 5.303 24.682 ( 0.000 0.000 -4.541) 4.541 24.682 ( 0.000 0.000 -4.541) 4.541 25.149 ( 0.000 0.000 -9.273) 9.273 25.705 ( 0.000 0.000 -0.960) 0.960 25.705 ( 0.000 0.000 -0.960) 0.960 26.273 ( 0.000 0.000 -3.660) 3.660 27.263 ( 0.000 0.000 -0.586) 0.586 27.263 ( -0.000 0.000 -0.586) 0.586 27.630 ( 0.000 0.000 11.191) 11.191 28.580 ( 0.000 0.000 -13.838) 13.838 28.729 ( 0.000 0.000 10.153) 10.153 28.729 ( 0.000 0.000 10.153) 10.153 29.023 ( 0.000 -0.000 -0.019) 0.019 29.023 ( 0.000 -0.000 -0.019) 0.019 29.535 ( 0.000 0.000 -3.852) 3.852 30.065 ( 0.000 0.000 -6.783) 6.783 30.065 ( 0.000 -0.000 -6.783) 6.783 30.633 ( 0.000 0.000 -9.660) 9.660 ======================= Grid point 216 (42/56) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -7.021 -4.092 13.918) 16.117 2.456 ( -0.860 -0.600 13.235) 13.276 2.618 ( -1.698 0.132 4.753) 5.049 2.648 ( -1.764 -1.730 7.070) 7.490 2.724 ( 0.611 1.074 5.382) 5.522 2.791 ( 2.748 -1.456 5.252) 6.103 2.830 ( 2.758 3.510 3.851) 5.895 2.980 ( -6.821 -4.036 1.381) 8.045 3.101 ( -0.941 0.601 1.530) 1.894 3.144 ( -1.895 -2.260 1.794) 3.452 3.234 ( -0.942 0.661 1.604) 1.974 3.326 ( 3.951 0.803 3.279) 5.197 3.434 ( -1.104 -0.180 1.405) 1.796 3.509 ( 3.589 2.205 -1.486) 4.467 3.678 ( 0.494 0.233 4.455) 4.488 3.756 ( -0.892 -0.650 -5.763) 5.868 3.795 ( 2.170 1.363 -8.276) 8.664 3.988 ( 0.241 0.085 -2.202) 2.217 4.032 ( 3.388 2.149 -3.360) 5.233 4.200 ( 2.417 1.227 2.177) 3.477 4.391 ( 0.203 0.181 2.326) 2.342 4.519 ( -4.251 -2.433 6.425) 8.079 4.630 ( 2.556 1.388 8.155) 8.658 4.692 ( 0.759 0.500 7.374) 7.430 4.922 ( -3.790 -2.207 5.322) 6.897 5.000 ( -1.119 -0.625 6.973) 7.090 5.099 ( 2.934 1.687 7.039) 7.810 17.139 ( 0.057 0.031 0.461) 0.465 17.149 ( 0.919 0.532 -0.012) 1.062 18.467 ( 1.527 0.859 3.476) 3.892 18.493 ( 3.915 2.285 4.286) 6.239 18.999 ( -1.113 -0.645 -6.349) 6.478 20.028 ( 1.664 0.959 0.942) 2.139 20.279 ( -4.522 -2.638 -7.556) 9.193 20.334 ( -0.463 -0.219 -5.430) 5.454 20.427 ( -1.009 -0.600 -14.189) 14.238 22.067 ( -2.028 -1.112 2.865) 3.682 22.113 ( 0.221 0.046 -2.389) 2.400 22.188 ( 1.668 0.985 0.590) 2.025 23.281 ( -6.669 -3.851 -9.658) 12.352 23.699 ( -1.369 -0.744 -7.975) 8.126 23.775 ( 4.161 2.350 -6.949) 8.434 24.194 ( 1.738 1.059 4.304) 4.761 24.382 ( -3.014 -1.919 5.150) 6.268 24.440 ( 1.965 1.251 5.159) 5.661 24.614 ( -4.072 -2.291 -4.526) 6.505 24.683 ( 0.171 0.052 -3.598) 3.603 25.228 ( 5.327 3.083 -9.228) 11.092 25.675 ( -2.392 -1.415 -1.192) 3.024 25.704 ( -0.124 -0.042 -1.137) 1.144 26.260 ( -1.000 -0.577 -4.259) 4.412 27.217 ( -3.230 -1.861 0.148) 3.731 27.233 ( -2.388 -1.382 -0.815) 2.877 27.725 ( 7.273 4.199 10.028) 13.080 28.468 ( -5.964 -3.448 -2.399) 7.295 28.736 ( 0.513 0.261 10.149) 10.165 28.830 ( 4.344 2.582 1.648) 5.315 29.017 ( -0.644 -0.250 -0.114) 0.701 29.048 ( 2.135 1.050 -0.347) 2.404 29.512 ( -0.792 -0.415 -5.867) 5.935 30.056 ( -0.582 -0.410 -7.910) 7.942 30.129 ( 4.575 2.700 -5.608) 7.725 30.621 ( -1.012 -0.585 -9.492) 9.563 ======================= Grid point 217 (43/56) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -2.676 -1.931 13.298) 13.701 2.421 ( -2.512 -0.685 10.896) 11.202 2.537 ( -6.137 -3.371 7.747) 10.442 2.622 ( 0.280 1.806 6.208) 6.471 2.730 ( 1.147 -2.430 4.494) 5.236 2.800 ( 0.479 -3.098 4.402) 5.404 2.850 ( -1.821 2.357 7.967) 8.505 2.923 ( 0.291 0.385 3.149) 3.186 3.052 ( -1.724 0.636 4.108) 4.500 3.166 ( 1.202 0.363 -0.979) 1.592 3.227 ( 1.074 0.937 1.292) 1.924 3.339 ( -2.045 -1.892 1.219) 3.041 3.450 ( 1.969 0.032 0.185) 1.978 3.578 ( 2.363 0.668 -3.263) 4.084 3.632 ( -3.893 -0.073 -7.599) 8.538 3.779 ( 2.825 0.658 2.642) 3.924 3.871 ( 3.818 2.711 -5.203) 6.999 3.994 ( 0.664 -0.863 0.166) 1.101 4.113 ( 2.537 3.892 -0.884) 4.730 4.262 ( 1.780 -0.605 -2.914) 3.468 4.352 ( -1.896 -1.626 7.752) 8.144 4.456 ( -2.335 -0.238 3.364) 4.102 4.666 ( 0.447 -0.891 9.504) 9.556 4.712 ( 1.721 1.918 6.758) 7.232 4.854 ( -2.330 -1.437 5.461) 6.109 4.975 ( -0.865 -0.459 6.474) 6.548 5.146 ( 1.326 0.748 7.634) 7.784 17.140 ( 0.050 0.023 0.048) 0.073 17.172 ( 0.890 0.520 -1.380) 1.723 18.505 ( 1.496 0.798 3.299) 3.709 18.617 ( 6.594 3.914 5.375) 9.364 18.945 ( -3.847 -2.266 -0.924) 4.559 20.073 ( 1.710 0.936 -4.396) 4.809 20.178 ( -3.252 -1.925 -8.255) 9.079 20.324 ( -0.458 0.091 -4.769) 4.792 20.384 ( -2.376 -1.623 -9.676) 10.095 22.043 ( -0.334 0.066 3.349) 3.366 22.117 ( 0.270 -0.216 -2.606) 2.629 22.213 ( 0.471 0.373 -1.587) 1.697 23.129 ( -5.699 -3.278 -9.711) 11.727 23.673 ( -0.882 -0.433 -8.387) 8.444 23.869 ( 3.498 1.874 -5.543) 6.817 24.232 ( 0.685 1.870 3.343) 3.891 24.293 ( -2.672 -3.372 3.772) 5.721 24.480 ( 0.793 0.553 3.283) 3.422 24.550 ( -1.790 -0.498 -3.275) 3.765 24.694 ( 0.887 0.285 -1.170) 1.496 25.330 ( 3.043 1.842 -8.584) 9.292 25.616 ( -2.186 -1.450 -2.151) 3.393 25.700 ( -0.238 -0.015 -1.803) 1.819 26.236 ( -0.933 -0.539 -5.230) 5.339 27.148 ( -2.542 -1.445 -0.224) 2.932 27.176 ( -2.175 -1.276 -0.792) 2.643 27.905 ( 7.627 4.403 8.828) 12.470 28.353 ( -4.214 -2.459 4.138) 6.397 28.746 ( 0.381 0.115 9.854) 9.862 28.885 ( 0.932 0.831 0.011) 1.249 28.997 ( -1.163 -0.141 -0.259) 1.199 29.085 ( 1.183 -0.228 0.774) 1.432 29.532 ( 1.775 1.365 -8.973) 9.248 30.050 ( 0.357 -0.092 -10.674) 10.681 30.228 ( 3.447 2.177 -4.279) 5.910 30.590 ( -1.535 -0.900 -8.905) 9.081 ======================= Grid point 218 (44/56) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 0.000 0.000 12.336) 12.336 2.381 ( -0.000 -0.000 7.178) 7.178 2.456 ( 0.000 0.000 11.690) 11.690 2.652 ( 0.000 0.000 7.013) 7.013 2.716 ( 0.000 -0.000 6.805) 6.805 2.785 ( 0.000 -0.000 1.745) 1.745 2.844 ( -0.000 0.000 7.017) 7.017 2.924 ( 0.000 -0.000 8.187) 8.187 3.060 ( 0.000 0.000 2.272) 2.272 3.166 ( 0.000 -0.000 0.917) 0.917 3.268 ( 0.000 0.000 -2.389) 2.389 3.292 ( -0.000 0.000 1.460) 1.460 3.458 ( 0.000 0.000 -2.687) 2.687 3.574 ( -0.000 0.000 -5.601) 5.601 3.623 ( 0.000 0.000 -4.385) 4.385 3.817 ( 0.000 0.000 0.063) 0.063 3.931 ( -0.000 -0.000 -2.805) 2.805 3.988 ( 0.000 0.000 1.953) 1.953 4.190 ( 0.000 0.000 -1.086) 1.086 4.216 ( 0.000 -0.000 -2.403) 2.403 4.346 ( 0.000 0.000 7.824) 7.824 4.430 ( 0.000 -0.000 3.378) 3.378 4.663 ( 0.000 0.000 9.015) 9.015 4.750 ( 0.000 0.000 5.596) 5.596 4.817 ( 0.000 0.000 6.987) 6.987 4.966 ( 0.000 0.000 6.035) 6.035 5.161 ( 0.000 0.000 7.846) 7.846 17.140 ( 0.000 0.000 -0.157) 0.157 17.183 ( 0.000 0.000 -2.066) 2.066 18.523 ( 0.000 0.000 3.227) 3.227 18.737 ( 0.000 0.000 4.697) 4.697 18.860 ( -0.000 -0.000 3.681) 3.681 20.081 ( 0.000 0.000 -15.271) 15.271 20.157 ( 0.000 0.000 -2.266) 2.266 20.326 ( 0.000 0.000 -4.148) 4.148 20.341 ( -0.000 -0.000 -6.517) 6.517 22.044 ( 0.000 0.000 2.774) 2.774 22.118 ( 0.000 0.000 -3.012) 3.012 22.217 ( 0.000 0.000 -1.798) 1.798 23.060 ( 0.000 0.000 -9.451) 9.451 23.663 ( 0.000 0.000 -8.611) 8.611 23.909 ( 0.000 0.000 -4.483) 4.483 24.234 ( 0.000 0.000 3.127) 3.127 24.270 ( 0.000 -0.000 2.863) 2.863 24.477 ( 0.000 0.000 -0.225) 0.225 24.539 ( 0.000 0.000 -0.700) 0.700 24.706 ( 0.000 0.000 0.212) 0.212 25.363 ( 0.000 0.000 -7.734) 7.734 25.590 ( 0.000 0.000 -3.016) 3.016 25.698 ( 0.000 0.000 -2.371) 2.371 26.225 ( 0.000 0.000 -5.610) 5.610 27.116 ( 0.000 0.000 -0.927) 0.927 27.150 ( 0.000 -0.000 -0.473) 0.473 28.009 ( 0.000 0.000 7.913) 7.913 28.294 ( -0.000 0.000 7.066) 7.066 28.750 ( 0.000 0.000 9.551) 9.551 28.895 ( 0.000 0.000 -0.509) 0.509 28.986 ( 0.000 -0.000 -0.407) 0.407 29.091 ( 0.000 0.000 1.827) 1.827 29.559 ( 0.000 0.000 -9.798) 9.798 30.057 ( 0.000 0.000 -12.349) 12.349 30.270 ( 0.000 0.000 -4.021) 4.021 30.568 ( 0.000 0.000 -8.349) 8.349 ======================= Grid point 223 (45/56) ======================= q-point: ( 0.17 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -2.532 -3.896 13.530) 14.305 2.445 ( -0.303 -0.927 12.767) 12.804 2.563 ( -1.981 -5.639 4.655) 7.576 2.628 ( -0.049 -1.886 7.147) 7.392 2.709 ( -2.373 0.351 4.884) 5.441 2.794 ( -2.713 -0.711 5.694) 6.348 2.886 ( 0.682 -3.159 5.359) 6.258 2.897 ( 0.886 2.187 3.137) 3.925 3.058 ( 0.294 -1.776 4.356) 4.713 3.170 ( 0.968 2.879 -0.838) 3.151 3.227 ( 0.147 -1.651 0.495) 1.730 3.364 ( -1.185 0.884 3.471) 3.773 3.427 ( 0.832 2.103 -0.438) 2.303 3.544 ( 0.286 -0.324 -2.789) 2.822 3.670 ( -0.484 -2.721 -7.589) 8.077 3.765 ( 1.240 4.126 4.611) 6.310 3.843 ( 2.322 3.343 -7.179) 8.253 3.994 ( -0.409 0.534 -0.135) 0.686 4.098 ( 3.782 3.429 -2.142) 5.536 4.241 ( 0.074 2.623 -0.868) 2.764 4.365 ( -1.701 -3.056 6.658) 7.520 4.476 ( -0.298 -1.463 2.822) 3.192 4.657 ( -0.769 0.249 9.731) 9.764 4.700 ( 1.333 1.050 7.198) 7.396 4.867 ( -1.614 -2.679 5.272) 6.130 4.989 ( -0.097 -0.244 6.419) 6.425 5.134 ( 0.810 1.434 7.584) 7.761 17.141 ( 0.099 0.182 0.125) 0.242 17.165 ( 0.535 0.916 -1.012) 1.466 18.506 ( 1.464 2.684 3.238) 4.453 18.568 ( 3.131 5.232 5.320) 8.092 18.966 ( -1.808 -3.084 -2.579) 4.408 20.062 ( 1.203 2.135 -1.933) 3.121 20.200 ( -2.572 -4.362 -8.775) 10.131 20.327 ( -0.071 -0.538 -4.975) 5.004 20.399 ( -1.408 -2.173 -11.040) 11.339 22.046 ( -0.154 -0.633 3.194) 3.260 22.119 ( 0.008 0.558 -2.227) 2.295 22.206 ( 0.346 0.440 -1.257) 1.376 23.162 ( -4.048 -7.024 -9.676) 12.624 23.687 ( -0.232 -0.557 -8.494) 8.516 23.842 ( 2.164 3.992 -5.868) 7.420 24.220 ( 1.064 0.623 3.813) 4.008 24.319 ( -2.776 -3.013 3.833) 5.611 24.471 ( 1.003 1.411 4.373) 4.704 24.561 ( -1.203 -2.722 -4.153) 5.109 24.691 ( 0.430 1.069 -1.615) 1.984 25.306 ( 2.086 3.513 -8.884) 9.778 25.633 ( -1.364 -2.106 -1.832) 3.107 25.702 ( -0.043 -0.259 -1.591) 1.612 26.241 ( -0.737 -1.277 -5.034) 5.246 27.156 ( -2.142 -3.732 -0.547) 4.338 27.195 ( -1.210 -2.079 -0.296) 2.423 27.861 ( 4.993 8.650 9.096) 13.509 28.379 ( -2.770 -4.761 2.838) 6.196 28.743 ( 0.015 0.201 9.899) 9.901 28.869 ( 0.761 0.859 0.085) 1.151 29.013 ( 0.163 -0.671 0.230) 0.728 29.078 ( 0.333 2.083 0.160) 2.116 29.525 ( 1.467 2.062 -8.500) 8.868 30.038 ( -0.850 -1.057 -9.685) 9.779 30.212 ( 2.912 4.788 -4.678) 7.300 30.599 ( -0.925 -1.585 -9.111) 9.294 ======================= Grid point 224 (46/56) ======================= q-point: ( 0.33 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -0.166 1.393 12.181) 12.261 2.423 ( -4.907 -1.131 8.008) 9.460 2.447 ( 0.122 -3.702 9.721) 10.403 2.620 ( 1.695 -2.491 6.572) 7.230 2.678 ( 0.538 -2.196 8.620) 8.912 2.754 ( -0.470 -1.194 3.013) 3.275 2.882 ( -0.750 1.605 7.225) 7.440 2.920 ( 0.719 -0.315 6.504) 6.552 3.077 ( 0.527 1.024 4.074) 4.233 3.164 ( -1.220 -1.301 0.460) 1.842 3.260 ( 1.876 3.204 -2.822) 4.664 3.337 ( -2.418 1.023 -0.488) 2.670 3.466 ( 0.105 2.031 -2.240) 3.025 3.503 ( 0.496 -4.649 -4.004) 6.156 3.646 ( 0.341 -2.385 -3.927) 4.607 3.840 ( -0.346 6.366 -1.062) 6.464 3.934 ( 2.858 1.917 -1.208) 3.647 3.986 ( 0.401 1.625 -1.131) 2.020 4.186 ( 0.096 -5.541 -3.715) 6.672 4.209 ( -0.190 3.394 1.469) 3.703 4.333 ( 0.157 0.374 8.845) 8.854 4.458 ( -1.498 -0.502 0.283) 1.606 4.632 ( 0.574 -2.115 11.140) 11.353 4.745 ( 1.371 1.103 6.476) 6.711 4.821 ( -1.205 -1.455 6.441) 6.712 4.993 ( -0.767 1.969 5.356) 5.757 5.150 ( 0.606 -0.454 8.134) 8.169 17.144 ( -0.082 0.339 -0.216) 0.410 17.179 ( 0.389 0.196 -2.011) 2.058 18.548 ( -0.390 3.291 3.085) 4.528 18.693 ( 5.554 3.661 5.519) 8.644 18.874 ( -3.725 -4.905 2.865) 6.793 20.080 ( -0.293 -0.544 -14.612) 14.625 20.157 ( 0.169 0.357 -2.378) 2.411 20.326 ( 0.502 -0.132 -4.895) 4.923 20.346 ( -1.882 -1.783 -6.277) 6.791 22.048 ( 0.075 0.398 1.970) 2.011 22.126 ( -0.163 1.337 -2.342) 2.702 22.206 ( 0.279 -1.215 -1.585) 2.017 23.053 ( -1.641 -3.688 -9.203) 10.049 23.679 ( -0.703 0.676 -8.915) 8.968 23.904 ( 1.245 1.604 -4.770) 5.184 24.204 ( -0.186 -3.712 4.016) 5.472 24.304 ( -0.158 3.941 2.331) 4.581 24.479 ( -0.523 -0.409 0.960) 1.167 24.525 ( 0.065 -2.400 -2.177) 3.241 24.716 ( 0.269 1.779 0.684) 1.925 25.342 ( 0.918 -0.934 -7.864) 7.973 25.612 ( -0.792 1.490 -3.048) 3.484 25.695 ( -0.127 -0.753 -2.341) 2.462 26.219 ( -0.192 -1.048 -5.686) 5.785 27.096 ( -0.496 -2.824 -1.670) 3.318 27.164 ( -0.883 -0.275 0.313) 0.976 28.018 ( 3.120 6.461 7.752) 10.563 28.293 ( -2.032 -3.611 7.452) 8.527 28.739 ( 0.185 -0.897 8.891) 8.938 28.883 ( 0.729 -0.496 -0.904) 1.263 29.002 ( -0.915 0.045 1.269) 1.565 29.099 ( 0.070 1.631 1.342) 2.113 29.575 ( 0.431 2.595 -10.440) 10.767 30.022 ( 1.026 -2.259 -11.520) 11.784 30.288 ( 0.753 3.122 -4.524) 5.548 30.568 ( -0.664 -1.151 -8.404) 8.508 ======================= Grid point 225 (47/56) ======================= q-point: (-0.50 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -1.003 0.673 12.154) 12.214 2.387 ( 2.790 2.052 7.975) 8.695 2.476 ( 3.330 -0.087 10.696) 11.203 2.604 ( 0.208 -1.713 6.172) 6.409 2.705 ( 4.519 -3.746 8.049) 9.962 2.755 ( 1.174 0.250 3.614) 3.808 2.875 ( -1.732 2.034 5.975) 6.545 2.922 ( -0.309 -0.904 6.734) 6.801 3.062 ( -1.987 0.606 4.147) 4.639 3.166 ( 1.388 0.328 0.455) 1.497 3.267 ( -3.748 -0.412 -2.687) 4.630 3.329 ( 0.763 2.731 0.312) 2.853 3.483 ( -0.303 1.474 -2.312) 2.758 3.509 ( 3.460 -3.651 -4.619) 6.829 3.629 ( 0.627 -0.949 -3.887) 4.050 3.849 ( -4.970 3.707 -0.412) 6.214 3.911 ( -2.440 -1.315 -1.596) 3.199 4.029 ( -2.568 -0.826 -2.336) 3.568 4.119 ( 0.991 0.278 -0.655) 1.220 4.245 ( 1.361 -0.225 2.318) 2.698 4.358 ( 0.135 -1.382 5.657) 5.825 4.434 ( 0.359 2.153 1.069) 2.431 4.642 ( 2.284 -1.809 10.369) 10.770 4.737 ( -2.139 -0.327 6.881) 7.213 4.824 ( 1.863 0.222 6.475) 6.742 4.992 ( -1.344 1.653 5.225) 5.642 5.150 ( 0.103 -0.755 8.151) 8.187 17.144 ( -0.249 0.239 -0.219) 0.409 17.179 ( -0.368 -0.237 -2.008) 2.055 18.549 ( -2.604 1.992 3.051) 4.479 18.692 ( -5.979 -2.937 5.570) 8.684 18.875 ( 6.094 0.721 2.845) 6.763 20.081 ( 0.677 -0.045 -14.734) 14.750 20.157 ( -0.389 0.023 -2.375) 2.406 20.318 ( 0.036 -0.013 -4.474) 4.474 20.353 ( 2.244 0.290 -6.575) 6.954 22.046 ( -0.573 0.223 1.969) 2.063 22.130 ( -0.827 0.720 -2.523) 2.751 22.204 ( 0.864 -0.853 -1.410) 1.860 23.053 ( 4.004 -0.417 -9.198) 10.041 23.678 ( -0.283 0.958 -8.863) 8.919 23.905 ( -1.910 -0.312 -4.865) 5.236 24.196 ( 2.278 -1.182 4.195) 4.918 24.315 ( -2.085 1.511 2.079) 3.309 24.482 ( 0.552 0.415 1.221) 1.403 24.516 ( 1.688 -1.252 -2.225) 3.060 24.717 ( -1.510 0.586 0.588) 1.723 25.341 ( 0.278 -1.224 -7.822) 7.922 25.615 ( -0.765 1.381 -3.222) 3.588 25.693 ( 0.643 -0.249 -2.202) 2.307 26.219 ( 1.004 -0.358 -5.695) 5.794 27.096 ( 2.683 -0.977 -1.606) 3.276 27.164 ( 0.689 0.622 0.241) 0.959 28.018 ( -7.154 0.529 7.777) 10.580 28.293 ( 4.161 -0.054 7.456) 8.539 28.739 ( 0.758 -0.634 8.910) 8.965 28.881 ( -0.125 -0.817 -1.102) 1.377 28.997 ( -0.009 0.979 1.595) 1.872 29.106 ( -0.760 0.498 1.224) 1.524 29.572 ( -2.718 1.019 -10.486) 10.881 30.024 ( 1.645 -2.102 -11.575) 11.879 30.286 ( -3.198 0.966 -4.474) 5.584 30.568 ( 1.339 -0.007 -8.403) 8.509 ======================= Grid point 230 (48/56) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.000 -0.000 11.117) 11.117 2.360 ( 0.000 -0.000 6.690) 6.690 2.434 ( -0.000 -0.000 10.757) 10.757 2.616 ( -0.000 -0.000 8.405) 8.405 2.618 ( 0.000 0.000 8.793) 8.793 2.750 ( -0.000 -0.000 2.557) 2.557 2.907 ( -0.000 -0.000 7.438) 7.438 2.918 ( -0.000 0.000 7.669) 7.669 3.073 ( 0.000 -0.000 3.520) 3.520 3.158 ( 0.000 -0.000 2.512) 2.512 3.302 ( -0.000 -0.000 -3.763) 3.763 3.370 ( -0.000 0.000 -5.524) 5.524 3.414 ( -0.000 -0.000 -4.361) 4.361 3.522 ( -0.000 -0.000 -0.832) 0.832 3.595 ( -0.000 -0.000 -1.270) 1.270 3.922 ( 0.000 -0.000 0.282) 0.282 3.962 ( -0.000 0.000 -6.160) 6.160 4.052 ( -0.000 -0.000 1.527) 1.527 4.054 ( 0.000 0.000 -3.885) 3.885 4.269 ( 0.000 0.000 5.155) 5.155 4.322 ( -0.000 -0.000 6.313) 6.313 4.454 ( 0.000 -0.000 -2.909) 2.909 4.604 ( -0.000 -0.000 13.018) 13.018 4.756 ( -0.000 0.000 7.003) 7.003 4.807 ( -0.000 -0.000 6.947) 6.947 5.021 ( -0.000 -0.000 3.937) 3.937 5.140 ( -0.000 -0.000 8.968) 8.968 17.148 ( -0.000 -0.000 -0.360) 0.360 17.181 ( -0.000 -0.000 -2.316) 2.316 18.593 ( -0.000 -0.000 2.527) 2.527 18.765 ( -0.000 -0.000 2.296) 2.296 18.778 ( 0.000 0.000 8.537) 8.537 20.070 ( -0.000 -0.000 -18.465) 18.465 20.169 ( -0.000 -0.000 -1.237) 1.237 20.318 ( 0.000 -0.000 -5.890) 5.890 20.331 ( -0.000 0.000 -3.215) 3.215 22.054 ( -0.000 -0.000 0.696) 0.696 22.157 ( 0.000 0.000 -4.553) 4.553 22.176 ( -0.000 -0.000 1.349) 1.349 23.013 ( -0.000 -0.000 -8.782) 8.782 23.687 ( -0.000 -0.000 -9.095) 9.095 23.922 ( 0.000 -0.000 -4.767) 4.767 24.165 ( -0.000 -0.000 4.239) 4.239 24.358 ( 0.000 -0.000 2.892) 2.892 24.474 ( -0.000 -0.000 -5.149) 5.149 24.485 ( 0.000 -0.000 2.477) 2.477 24.738 ( -0.000 -0.000 1.665) 1.665 25.324 ( -0.000 -0.000 -7.596) 7.596 25.645 ( -0.000 0.000 -4.150) 4.150 25.676 ( 0.000 -0.000 -2.015) 2.015 26.207 ( -0.000 -0.000 -5.959) 5.959 27.065 ( -0.000 -0.000 -2.264) 2.264 27.161 ( 0.000 -0.000 0.721) 0.721 28.107 ( -0.000 -0.000 5.240) 5.240 28.236 ( -0.000 -0.000 11.218) 11.218 28.726 ( -0.000 -0.000 7.942) 7.942 28.878 ( -0.000 -0.000 -1.606) 1.606 29.003 ( 0.000 -0.000 3.118) 3.118 29.117 ( -0.000 -0.000 1.401) 1.401 29.608 ( -0.000 -0.000 -11.651) 11.651 29.992 ( -0.000 -0.000 -11.576) 11.576 30.323 ( -0.000 -0.000 -4.882) 4.882 30.555 ( 0.000 -0.000 -8.053) 8.053 ======================= Grid point 258 (49/56) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 0.000 0.000 2.594) 2.594 2.609 ( 0.000 0.000 2.594) 2.594 2.722 ( 0.000 0.000 0.831) 0.831 2.722 ( 0.000 0.000 0.831) 0.831 2.793 ( 0.000 -0.000 6.839) 6.839 2.936 ( 0.000 0.000 7.477) 7.477 2.936 ( -0.000 0.000 7.477) 7.477 3.003 ( 0.000 0.000 -5.279) 5.279 3.135 ( 0.000 -0.000 0.807) 0.807 3.243 ( -0.000 0.000 1.888) 1.888 3.243 ( -0.000 0.000 1.888) 1.888 3.336 ( 0.000 0.000 0.937) 0.937 3.468 ( 0.000 0.000 2.114) 2.114 3.468 ( 0.000 0.000 2.114) 2.114 3.578 ( 0.000 0.000 -9.406) 9.406 3.578 ( 0.000 0.000 -9.406) 9.406 3.771 ( 0.000 0.000 2.274) 2.274 3.928 ( 0.000 0.000 -1.521) 1.521 3.928 ( 0.000 0.000 -1.521) 1.521 4.251 ( 0.000 0.000 2.694) 2.694 4.380 ( 0.000 0.000 -0.515) 0.515 4.706 ( 0.000 -0.000 2.989) 2.989 4.706 ( 0.000 0.000 2.989) 2.989 4.779 ( 0.000 0.000 4.279) 4.279 5.078 ( -0.000 0.000 1.079) 1.079 5.114 ( 0.000 0.000 2.768) 2.768 5.114 ( -0.000 0.000 2.768) 2.768 17.148 ( 0.000 0.000 0.294) 0.294 17.148 ( 0.000 0.000 0.294) 0.294 18.497 ( 0.000 -0.000 1.292) 1.292 18.497 ( 0.000 0.000 1.292) 1.292 18.897 ( 0.000 0.000 -3.013) 3.013 20.051 ( 0.000 0.000 2.724) 2.724 20.192 ( -0.000 0.000 -7.954) 7.954 20.266 ( 0.000 0.000 -1.872) 1.872 20.266 ( 0.000 0.000 -1.872) 1.872 22.082 ( 0.000 0.000 -0.665) 0.665 22.082 ( 0.000 0.000 -0.665) 0.665 22.247 ( 0.000 0.000 2.783) 2.783 23.238 ( 0.000 0.000 -3.803) 3.803 23.609 ( 0.000 -0.000 -3.031) 3.031 23.609 ( 0.000 -0.000 -3.031) 3.031 24.273 ( 0.000 0.000 4.024) 4.024 24.496 ( 0.000 0.000 2.833) 2.833 24.496 ( -0.000 0.000 2.833) 2.833 24.613 ( 0.000 0.000 -2.441) 2.441 24.613 ( 0.000 0.000 -2.441) 2.441 24.975 ( 0.000 0.000 -6.337) 6.337 25.693 ( 0.000 0.000 -0.308) 0.308 25.693 ( 0.000 0.000 -0.308) 0.308 26.243 ( 0.000 0.000 -0.315) 0.315 27.254 ( 0.000 0.000 -0.282) 0.282 27.254 ( 0.000 0.000 -0.282) 0.282 27.825 ( -0.000 0.000 7.364) 7.364 28.349 ( 0.000 0.000 -8.364) 8.364 28.890 ( 0.000 0.000 6.402) 6.402 28.890 ( 0.000 0.000 6.402) 6.402 28.988 ( 0.000 0.000 -3.319) 3.319 28.988 ( 0.000 0.000 -3.319) 3.319 29.481 ( 0.000 0.000 -1.485) 1.485 29.976 ( 0.000 0.000 -2.309) 2.309 29.976 ( 0.000 0.000 -2.309) 2.309 30.506 ( 0.000 0.000 -3.273) 3.273 ======================= Grid point 259 (50/56) ======================= q-point: ( 0.17 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -4.649 -2.905 7.230) 9.073 2.614 ( -0.806 0.064 3.894) 3.977 2.661 ( -2.410 -1.617 -0.712) 2.988 2.713 ( -0.660 -0.493 0.274) 0.868 2.794 ( -2.100 -1.094 3.414) 4.155 2.863 ( -0.785 -0.557 -1.697) 1.952 2.924 ( -0.752 -0.592 4.713) 4.809 3.087 ( 0.349 0.256 8.299) 8.310 3.123 ( 0.676 0.948 1.368) 1.797 3.214 ( -1.164 -1.643 4.452) 4.887 3.242 ( 0.249 0.757 -0.026) 0.797 3.350 ( 0.662 0.144 -2.704) 2.787 3.455 ( -1.073 -0.747 1.070) 1.689 3.490 ( 1.475 1.251 1.626) 2.527 3.539 ( -3.002 -1.655 -7.992) 8.696 3.615 ( 3.053 1.530 -8.747) 9.390 3.807 ( 3.044 1.738 2.827) 4.503 3.939 ( 0.594 0.668 -2.054) 2.240 3.980 ( 4.273 2.188 -1.681) 5.086 4.249 ( -0.239 -0.150 1.827) 1.849 4.411 ( 2.200 1.296 0.198) 2.561 4.621 ( -5.127 -2.953 3.159) 6.707 4.740 ( 2.580 1.478 2.944) 4.184 4.825 ( 1.875 1.088 4.700) 5.176 4.982 ( -4.528 -2.644 0.983) 5.335 5.099 ( -1.234 -0.677 2.754) 3.093 5.194 ( 3.446 1.977 2.553) 4.723 17.144 ( -0.281 -0.163 0.130) 0.350 17.152 ( 0.317 0.184 0.149) 0.396 18.514 ( 1.367 0.785 1.226) 1.997 18.556 ( 5.016 2.901 1.839) 6.079 18.909 ( 0.930 0.536 -2.587) 2.801 20.052 ( -1.125 -0.650 1.916) 2.315 20.130 ( -3.777 -2.181 -6.426) 7.766 20.264 ( -0.182 -0.081 -1.850) 1.860 20.274 ( 0.426 0.223 -2.723) 2.765 22.080 ( -0.122 -0.098 -0.297) 0.335 22.087 ( 0.373 0.247 -0.484) 0.659 22.236 ( -0.823 -0.479 2.285) 2.475 23.139 ( -7.141 -4.119 -4.156) 9.232 23.588 ( -1.470 -0.866 -3.043) 3.489 23.678 ( 4.949 2.869 -2.666) 6.311 24.277 ( 0.391 0.241 3.231) 3.264 24.462 ( -4.370 -2.578 3.273) 6.038 24.518 ( 1.189 0.696 2.218) 2.611 24.533 ( -3.237 -1.819 -3.545) 5.133 24.634 ( 1.801 1.020 -1.469) 2.538 25.070 ( 6.276 3.628 -5.270) 8.962 25.661 ( -2.614 -1.506 -0.320) 3.034 25.690 ( -0.312 -0.186 -0.360) 0.511 26.218 ( -1.907 -1.100 -0.722) 2.316 27.215 ( -3.049 -1.891 -0.206) 3.593 27.223 ( -2.412 -1.258 -0.208) 2.728 27.899 ( 5.840 3.365 6.445) 9.325 28.354 ( 0.554 0.318 -5.790) 5.825 28.891 ( -0.163 -0.089 5.777) 5.780 28.914 ( 0.938 0.617 4.901) 5.028 28.991 ( 0.430 0.267 -2.298) 2.353 29.014 ( 2.449 1.296 -3.147) 4.192 29.423 ( -3.514 -1.994 -2.666) 4.841 29.952 ( -1.853 -1.109 -2.683) 3.444 30.060 ( 5.872 3.419 -1.661) 6.995 30.497 ( -0.802 -0.464 -3.215) 3.346 ======================= Grid point 260 (51/56) ======================= q-point: ( 0.33 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -3.942 -2.693 7.799) 9.144 2.540 ( -4.292 -1.539 1.390) 4.766 2.661 ( -0.209 -1.259 4.548) 4.723 2.705 ( 0.797 1.842 -0.298) 2.029 2.736 ( -1.586 -1.036 1.152) 2.217 2.866 ( -0.090 -1.866 1.220) 2.231 2.918 ( 0.432 0.118 -0.403) 0.603 3.041 ( -2.139 0.515 5.447) 5.875 3.152 ( -0.561 1.372 4.571) 4.805 3.204 ( 1.630 -1.148 6.686) 6.976 3.256 ( 0.493 0.103 0.768) 0.918 3.344 ( -1.152 -0.521 -2.231) 2.565 3.413 ( -2.368 -2.874 -3.251) 4.943 3.459 ( -2.582 -0.098 -6.861) 7.332 3.549 ( 1.823 1.759 0.699) 2.628 3.695 ( 4.121 1.356 -6.140) 7.518 3.893 ( 3.433 2.267 3.641) 5.494 3.960 ( 1.491 1.523 -3.017) 3.694 4.083 ( 4.397 2.037 -1.618) 5.109 4.226 ( -2.255 -1.575 -0.300) 2.767 4.451 ( 0.835 0.738 1.714) 2.044 4.522 ( -3.090 -1.677 2.826) 4.511 4.801 ( 2.517 1.290 3.113) 4.206 4.839 ( -0.522 -0.212 6.103) 6.129 4.909 ( -1.712 -1.159 -0.219) 2.079 5.069 ( -1.250 -0.571 2.658) 2.992 5.252 ( 1.654 0.924 2.845) 3.418 17.137 ( -0.278 -0.165 -0.183) 0.371 17.160 ( 0.300 0.177 -0.131) 0.372 18.548 ( 1.346 0.765 1.103) 1.901 18.701 ( 6.975 4.051 2.716) 8.511 18.928 ( 0.416 0.228 -0.716) 0.859 19.928 ( -7.314 -4.228 -5.666) 10.172 20.120 ( 1.168 0.664 -0.628) 1.483 20.259 ( -0.251 -0.025 -1.898) 1.915 20.280 ( 0.164 -0.010 -1.966) 1.973 22.077 ( -0.074 -0.133 -0.019) 0.153 22.095 ( 0.191 0.240 0.201) 0.367 22.219 ( -0.524 -0.345 1.219) 1.371 22.984 ( -5.559 -3.191 -4.346) 7.744 23.557 ( -1.038 -0.647 -3.146) 3.375 23.790 ( 4.234 2.458 -2.203) 5.369 24.290 ( 0.382 0.612 2.304) 2.415 24.334 ( -4.556 -3.052 0.513) 5.508 24.483 ( -1.720 -1.017 -1.402) 2.441 24.547 ( 0.674 0.505 1.384) 1.620 24.685 ( 2.339 1.293 -0.097) 2.674 25.195 ( 4.068 2.386 -4.159) 6.288 25.593 ( -2.862 -1.667 -0.493) 3.348 25.679 ( -0.543 -0.331 -0.497) 0.808 26.174 ( -1.670 -0.952 -1.450) 2.408 27.137 ( -3.088 -1.951 -0.453) 3.681 27.170 ( -1.963 -0.948 -0.021) 2.180 28.045 ( 6.035 3.437 4.611) 8.336 28.372 ( 0.834 0.469 -0.965) 1.359 28.876 ( -1.034 -0.538 3.719) 3.898 28.908 ( -1.268 -0.307 0.939) 1.608 29.010 ( 0.948 0.532 2.108) 2.371 29.072 ( 2.275 0.609 -2.198) 3.222 29.381 ( -0.231 0.237 -4.827) 4.838 29.909 ( -1.497 -1.030 -3.690) 4.113 30.183 ( 4.196 2.506 -0.917) 4.972 30.473 ( -1.109 -0.652 -3.029) 3.291 ======================= Grid point 261 (52/56) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.000 0.000 5.393) 5.393 2.489 ( -0.000 -0.000 4.030) 4.030 2.640 ( 0.000 0.000 6.524) 6.524 2.717 ( -0.000 0.000 -1.403) 1.403 2.752 ( 0.000 0.000 0.231) 0.231 2.832 ( 0.000 -0.000 3.248) 3.248 2.921 ( 0.000 0.000 -1.772) 1.772 3.041 ( -0.000 0.000 4.887) 4.887 3.152 ( 0.000 -0.000 3.519) 3.519 3.215 ( 0.000 0.000 6.404) 6.404 3.260 ( 0.000 -0.000 0.158) 0.158 3.327 ( 0.000 0.000 2.573) 2.573 3.360 ( -0.000 -0.000 -6.278) 6.278 3.442 ( 0.000 0.000 -6.863) 6.863 3.575 ( 0.000 0.000 -0.565) 0.565 3.746 ( 0.000 0.000 -4.326) 4.326 3.921 ( -0.000 -0.000 0.601) 0.601 4.018 ( 0.000 0.000 0.425) 0.425 4.141 ( 0.000 0.000 -2.787) 2.787 4.163 ( 0.000 -0.000 -0.642) 0.642 4.460 ( 0.000 0.000 1.906) 1.906 4.489 ( 0.000 0.000 2.925) 2.925 4.824 ( 0.000 0.000 6.364) 6.364 4.839 ( 0.000 0.000 2.663) 2.663 4.889 ( 0.000 0.000 0.191) 0.191 5.055 ( 0.000 0.000 2.547) 2.547 5.270 ( 0.000 0.000 2.967) 2.967 17.134 ( 0.000 0.000 -0.333) 0.333 17.163 ( 0.000 0.000 -0.267) 0.267 18.564 ( 0.000 0.000 1.047) 1.047 18.803 ( 0.000 0.000 1.837) 1.837 18.925 ( 0.000 0.000 2.418) 2.418 19.827 ( 0.000 0.000 -7.934) 7.934 20.136 ( 0.000 0.000 -0.531) 0.531 20.257 ( 0.000 0.000 -2.002) 2.002 20.281 ( 0.000 -0.000 -1.141) 1.141 22.076 ( 0.000 0.000 -0.188) 0.188 22.097 ( 0.000 -0.000 0.729) 0.729 22.213 ( 0.000 0.000 0.704) 0.704 22.918 ( 0.000 0.000 -4.285) 4.285 23.545 ( 0.000 0.000 -3.205) 3.205 23.842 ( 0.000 0.000 -1.908) 1.908 24.269 ( 0.000 0.000 0.712) 0.712 24.309 ( 0.000 -0.000 1.046) 1.046 24.457 ( -0.000 0.000 -0.706) 0.706 24.554 ( 0.000 0.000 0.837) 0.837 24.715 ( 0.000 0.000 0.371) 0.371 25.241 ( 0.000 0.000 -3.656) 3.656 25.557 ( 0.000 0.000 -0.689) 0.689 25.671 ( 0.000 0.000 -0.591) 0.591 26.154 ( 0.000 0.000 -1.767) 1.767 27.098 ( 0.000 0.000 -0.632) 0.632 27.148 ( 0.000 -0.000 0.042) 0.042 28.122 ( 0.000 0.000 3.229) 3.229 28.382 ( 0.000 0.000 2.031) 2.031 28.862 ( 0.000 -0.000 2.561) 2.561 28.891 ( 0.000 0.000 -0.318) 0.318 29.022 ( 0.000 -0.000 3.798) 3.798 29.094 ( 0.000 0.000 -1.832) 1.832 29.388 ( 0.000 0.000 -5.676) 5.676 29.891 ( 0.000 0.000 -4.395) 4.395 30.232 ( 0.000 0.000 -0.656) 0.656 30.458 ( 0.000 -0.000 -2.874) 2.874 ======================= Grid point 266 (53/56) ======================= q-point: ( 0.17 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -2.947 -4.399 8.661) 10.152 2.579 ( -1.488 -5.177 -1.144) 5.506 2.637 ( -0.670 1.135 5.264) 5.427 2.704 ( 0.312 -0.634 -0.527) 0.882 2.754 ( -1.462 -2.512 1.555) 3.296 2.873 ( -0.673 1.210 1.214) 1.841 2.909 ( -0.092 -0.016 0.925) 0.929 3.042 ( -1.121 -4.261 5.681) 7.190 3.145 ( 1.532 0.666 4.286) 4.600 3.216 ( -1.150 1.495 5.235) 5.564 3.245 ( 0.580 -0.013 1.609) 1.710 3.364 ( -0.104 0.241 -6.277) 6.283 3.423 ( -1.947 -1.620 1.184) 2.796 3.467 ( -0.905 -3.325 -3.792) 5.124 3.544 ( 1.691 1.434 -1.770) 2.837 3.671 ( 1.681 4.579 -7.415) 8.875 3.867 ( 2.391 4.032 3.757) 6.008 3.952 ( 0.892 0.191 -3.058) 3.192 4.060 ( 2.716 5.692 -1.532) 6.490 4.237 ( -1.011 -1.487 0.360) 1.834 4.440 ( 0.689 0.837 1.274) 1.673 4.544 ( -2.141 -3.806 2.889) 5.236 4.785 ( 1.476 2.704 3.042) 4.330 4.840 ( -0.031 -0.124 6.027) 6.029 4.921 ( -1.630 -2.586 -0.057) 3.057 5.081 ( -0.418 -0.941 2.595) 2.792 5.238 ( 1.100 1.959 2.812) 3.599 17.141 ( -0.101 -0.168 -0.083) 0.213 17.156 ( 0.118 0.196 -0.086) 0.244 18.549 ( 1.374 2.404 1.114) 2.985 18.650 ( 3.640 6.268 2.583) 7.695 18.924 ( 0.421 0.742 -1.407) 1.646 19.972 ( -4.315 -7.466 -4.492) 9.723 20.114 ( 0.576 1.009 -1.068) 1.579 20.259 ( -0.128 -0.379 -1.914) 1.955 20.280 ( 0.110 0.329 -2.260) 2.286 22.077 ( -0.162 -0.158 0.287) 0.366 22.095 ( 0.341 0.416 -0.418) 0.681 22.223 ( -0.452 -0.728 1.571) 1.790 23.019 ( -3.903 -6.787 -4.255) 8.910 23.568 ( -0.611 -0.979 -3.236) 3.435 23.760 ( 2.734 4.704 -2.283) 5.900 24.289 ( 0.623 0.743 2.684) 2.854 24.363 ( -3.588 -5.805 0.758) 6.866 24.495 ( -1.029 -1.734 -2.128) 2.932 24.537 ( 0.407 0.492 1.948) 2.050 24.676 ( 1.709 3.051 -0.290) 3.509 25.163 ( 2.633 4.513 -4.445) 6.860 25.613 ( -1.588 -2.741 -0.420) 3.196 25.683 ( -0.342 -0.562 -0.464) 0.805 26.183 ( -1.266 -2.209 -1.286) 2.852 27.144 ( -2.654 -4.436 -0.431) 5.187 27.194 ( -0.850 -1.659 0.003) 1.864 28.009 ( 4.004 6.999 5.101) 9.542 28.369 ( 0.659 1.159 -2.179) 2.555 28.881 ( -0.768 -1.316 4.055) 4.332 28.899 ( -0.788 -1.977 2.001) 2.921 29.017 ( 1.147 1.708 0.440) 2.104 29.061 ( 1.332 3.490 -1.822) 4.156 29.387 ( -0.180 -0.800 -4.326) 4.403 29.909 ( -1.753 -2.798 -3.392) 4.733 30.161 ( 3.328 5.643 -1.081) 6.640 30.480 ( -0.703 -1.204 -3.093) 3.392 ======================= Grid point 267 (54/56) ======================= q-point: ( 0.33 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -1.300 -0.010 6.284) 6.417 2.499 ( -2.221 -2.803 1.885) 4.043 2.627 ( 0.264 -1.971 6.053) 6.371 2.709 ( -0.018 -0.160 1.617) 1.625 2.741 ( 1.251 0.173 -0.861) 1.529 2.836 ( -1.193 -1.593 5.583) 5.927 2.922 ( -0.668 1.743 -2.679) 3.266 3.019 ( 1.497 -2.392 3.567) 4.548 3.153 ( 0.037 -1.610 1.154) 1.981 3.226 ( -0.332 2.466 5.821) 6.331 3.257 ( 0.720 1.428 1.541) 2.221 3.340 ( -1.432 -2.933 -1.119) 3.450 3.359 ( -1.663 -0.782 -2.446) 3.059 3.451 ( -0.251 0.362 -3.888) 3.913 3.577 ( 0.683 0.456 -1.825) 2.001 3.751 ( 1.515 4.694 -4.835) 6.907 3.916 ( 0.158 -1.518 -0.605) 1.642 3.995 ( 3.265 2.935 0.565) 4.427 4.151 ( 0.372 0.843 -0.346) 0.984 4.178 ( -1.774 0.389 -2.020) 2.717 4.441 ( 0.460 -1.989 1.877) 2.773 4.498 ( -0.915 -0.614 2.622) 2.844 4.814 ( 0.125 -0.448 6.450) 6.467 4.841 ( 0.676 0.922 3.005) 3.215 4.889 ( -0.556 -0.784 0.196) 0.981 5.071 ( -0.699 0.707 2.252) 2.462 5.263 ( 0.602 0.139 3.068) 3.129 17.138 ( -0.234 0.275 -0.269) 0.450 17.159 ( 0.239 -0.270 -0.333) 0.491 18.588 ( -0.283 2.963 1.031) 3.150 18.772 ( 4.042 2.612 2.143) 5.268 18.927 ( -0.358 -0.414 2.045) 2.117 19.833 ( -2.994 -4.562 -7.806) 9.525 20.137 ( 0.482 0.969 -0.499) 1.192 20.253 ( -0.028 -0.550 -1.937) 2.013 20.284 ( -0.034 0.310 -1.319) 1.355 22.074 ( 0.004 -0.123 0.376) 0.396 22.102 ( -0.034 0.361 -0.228) 0.428 22.212 ( -0.107 -0.277 1.059) 1.099 22.917 ( -1.664 -2.992 -4.028) 5.286 23.554 ( -0.554 0.171 -3.456) 3.505 23.835 ( 1.606 1.842 -1.938) 3.119 24.258 ( -1.158 -3.367 1.476) 3.854 24.330 ( 0.098 2.903 0.484) 2.945 24.456 ( -1.013 -1.920 -1.124) 2.445 24.539 ( 0.490 -1.183 1.144) 1.717 24.731 ( 0.543 2.933 0.519) 3.028 25.217 ( 1.400 -0.459 -3.774) 4.052 25.580 ( -1.108 0.816 -0.669) 1.530 25.668 ( -0.279 -0.898 -0.609) 1.120 26.147 ( -0.388 -1.535 -1.796) 2.394 27.071 ( -0.561 -3.458 -0.717) 3.576 27.169 ( -0.974 0.143 0.140) 0.994 28.127 ( 2.056 4.232 3.077) 5.622 28.389 ( 0.101 1.110 2.382) 2.630 28.847 ( -0.276 -2.212 2.580) 3.410 28.869 ( 0.071 -2.495 -0.240) 2.507 29.045 ( -0.213 2.005 2.519) 3.226 29.108 ( 0.269 2.864 -0.636) 2.946 29.396 ( 0.117 0.882 -5.865) 5.932 29.863 ( 0.213 -3.014 -4.357) 5.302 30.246 ( 0.946 3.165 -0.701) 3.377 30.457 ( -0.429 -0.845 -2.896) 3.047 ======================= Grid point 268 (55/56) ======================= q-point: (-0.50 0.17 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.844 1.090 5.783) 5.945 2.489 ( 2.953 0.543 3.554) 4.652 2.637 ( 2.552 -1.281 4.426) 5.267 2.708 ( -1.541 -0.316 3.271) 3.630 2.724 ( 0.083 -0.125 -2.001) 2.007 2.860 ( 3.249 -1.104 4.558) 5.705 2.934 ( -1.054 3.107 -0.348) 3.299 2.991 ( -0.133 -3.156 1.719) 3.596 3.148 ( 0.526 -0.419 2.205) 2.305 3.236 ( -1.113 1.195 6.101) 6.316 3.263 ( -1.249 -0.482 1.756) 2.208 3.326 ( 2.214 0.734 -0.988) 2.533 3.373 ( 3.403 -0.023 -4.570) 5.698 3.448 ( -0.953 0.845 -3.656) 3.871 3.571 ( -1.294 -0.283 -1.011) 1.667 3.762 ( -4.203 0.783 -4.938) 6.531 3.905 ( 0.839 -0.622 -0.524) 1.168 3.997 ( -4.363 -1.501 -0.266) 4.622 4.140 ( -0.033 0.827 1.928) 2.098 4.195 ( 0.215 0.923 -3.654) 3.775 4.438 ( 1.359 -1.376 1.620) 2.523 4.496 ( 0.868 0.588 3.028) 3.204 4.819 ( 0.821 -0.567 6.379) 6.456 4.837 ( -1.537 0.086 3.121) 3.480 4.890 ( 1.049 0.022 0.114) 1.055 5.070 ( -0.371 1.005 2.241) 2.484 5.263 ( -0.400 -0.457 3.068) 3.128 17.138 ( -0.119 0.340 -0.268) 0.449 17.159 ( 0.111 -0.342 -0.334) 0.491 18.588 ( -2.415 1.727 1.006) 3.135 18.771 ( -4.298 -2.184 2.211) 5.304 18.927 ( 0.544 0.094 2.000) 2.075 19.833 ( 5.451 0.311 -7.814) 9.532 20.138 ( -1.072 0.062 -0.506) 1.187 20.252 ( 0.407 -0.208 -1.844) 1.899 20.284 ( -0.180 0.148 -1.395) 1.415 22.075 ( 0.160 -0.091 0.603) 0.631 22.101 ( -0.382 0.249 -0.470) 0.655 22.213 ( 0.327 -0.061 1.069) 1.119 22.917 ( 3.410 -0.050 -4.028) 5.278 23.554 ( 0.162 0.554 -3.429) 3.478 23.835 ( -2.406 -0.470 -1.972) 3.146 24.256 ( 3.175 -0.563 1.823) 3.704 24.332 ( -2.227 1.249 -0.055) 2.554 24.456 ( 2.192 -0.082 -1.016) 2.417 24.538 ( 0.701 -0.998 1.274) 1.763 24.731 ( -2.775 0.982 0.482) 2.983 25.217 ( -0.332 -1.428 -3.760) 4.036 25.580 ( -0.139 1.357 -0.719) 1.542 25.668 ( 0.929 -0.210 -0.567) 1.108 26.147 ( 1.514 -0.427 -1.800) 2.391 27.072 ( 3.329 -1.269 -0.707) 3.633 27.168 ( 0.298 0.946 0.127) 1.000 28.127 ( -4.658 0.319 3.100) 5.604 28.389 ( -1.002 0.464 2.369) 2.614 28.847 ( 2.041 -0.839 2.356) 3.228 28.866 ( 1.839 -1.195 -0.072) 2.194 29.045 ( -1.686 1.155 2.652) 3.348 29.114 ( -2.076 1.018 -0.673) 2.408 29.391 ( -1.109 0.451 -5.896) 6.017 29.864 ( 2.620 -1.737 -4.388) 5.398 30.245 ( -3.268 0.788 -0.684) 3.431 30.457 ( 0.955 -0.056 -2.898) 3.052 ======================= Grid point 273 (56/56) ======================= q-point: ( 0.33 0.33 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.56e-04 1.56e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -0.000 -0.000 1.414) 1.414 2.451 ( 0.000 0.000 7.515) 7.515 2.596 ( -0.000 -0.000 4.997) 4.997 2.723 ( -0.000 -0.000 -3.773) 3.773 2.740 ( -0.000 -0.000 3.228) 3.228 2.802 ( 0.000 0.000 9.319) 9.319 2.963 ( -0.000 -0.000 -2.649) 2.649 2.989 ( 0.000 0.000 1.202) 1.202 3.123 ( 0.000 -0.000 1.198) 1.198 3.260 ( 0.000 -0.000 0.189) 0.189 3.296 ( 0.000 0.000 -1.281) 1.281 3.300 ( -0.000 0.000 8.943) 8.943 3.325 ( -0.000 -0.000 -4.186) 4.186 3.467 ( -0.000 -0.000 -4.480) 4.480 3.578 ( -0.000 0.000 -0.313) 0.313 3.845 ( 0.000 0.000 -4.426) 4.426 3.854 ( -0.000 -0.000 -3.746) 3.746 4.059 ( -0.000 -0.000 1.535) 1.535 4.085 ( 0.000 0.000 1.570) 1.570 4.240 ( 0.000 0.000 -3.419) 3.419 4.401 ( -0.000 -0.000 1.951) 1.951 4.495 ( 0.000 -0.000 2.862) 2.862 4.805 ( -0.000 -0.000 7.102) 7.102 4.856 ( 0.000 0.000 2.835) 2.835 4.878 ( -0.000 -0.000 0.251) 0.251 5.082 ( -0.000 -0.000 1.835) 1.835 5.262 ( -0.000 -0.000 3.276) 3.276 17.144 ( -0.000 -0.000 -0.098) 0.098 17.153 ( 0.000 -0.000 -0.648) 0.648 18.627 ( -0.000 -0.000 0.917) 0.917 18.796 ( -0.000 -0.000 0.807) 0.807 18.919 ( -0.000 -0.000 4.877) 4.877 19.783 ( -0.000 -0.000 -9.082) 9.082 20.149 ( -0.000 -0.000 -0.615) 0.615 20.246 ( 0.000 -0.000 -1.759) 1.759 20.287 ( -0.000 -0.000 -1.165) 1.165 22.073 ( -0.000 0.000 0.783) 0.783 22.106 ( 0.000 -0.000 -1.060) 1.060 22.209 ( -0.000 -0.000 1.334) 1.334 22.886 ( -0.000 -0.000 -3.693) 3.693 23.557 ( -0.000 -0.000 -3.674) 3.674 23.854 ( -0.000 -0.000 -1.895) 1.895 24.222 ( -0.000 -0.000 1.555) 1.555 24.397 ( 0.000 -0.000 1.064) 1.064 24.402 ( -0.000 0.000 -2.037) 2.037 24.523 ( -0.000 -0.000 1.166) 1.166 24.767 ( -0.000 -0.000 0.880) 0.880 25.203 ( -0.000 -0.000 -3.712) 3.712 25.602 ( -0.000 0.000 -0.831) 0.831 25.651 ( -0.000 -0.000 -0.609) 0.609 26.129 ( -0.000 -0.000 -1.989) 1.989 27.033 ( -0.000 -0.000 -0.873) 0.873 27.170 ( 0.000 -0.000 0.233) 0.233 28.175 ( -0.000 -0.000 1.743) 1.743 28.402 ( -0.000 -0.000 5.041) 5.041 28.820 ( -0.000 -0.000 2.087) 2.087 28.841 ( -0.000 -0.000 -1.271) 1.271 29.067 ( 0.000 -0.000 2.396) 2.396 29.143 ( -0.000 -0.000 0.782) 0.782 29.406 ( -0.000 -0.000 -6.628) 6.628 29.826 ( -0.000 -0.000 -4.785) 4.785 30.281 ( -0.000 -0.000 -0.607) 0.607 30.447 ( 0.000 -0.000 -2.826) 2.826 =================== 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 3/29484 10.0 1515.531 1515.531 1296.744 0.000 0.000 -0.000 3/29484 20.0 267.804 267.804 301.861 0.000 0.000 -0.000 3/29484 30.0 87.781 87.781 116.157 0.000 0.000 -0.000 3/29484 40.0 45.879 45.879 69.282 0.000 0.000 -0.000 3/29484 50.0 30.481 30.481 50.655 0.000 0.000 -0.000 3/29484 60.0 22.973 22.973 40.862 0.000 0.000 -0.000 3/29484 70.0 18.592 18.592 34.717 0.000 0.000 -0.000 3/29484 80.0 15.712 15.712 30.396 0.000 0.000 -0.000 3/29484 90.0 13.653 13.653 27.115 0.000 0.000 -0.000 3/29484 100.0 12.089 12.089 24.484 0.000 0.000 -0.000 3/29484 110.0 10.843 10.843 22.288 0.000 0.000 -0.000 3/29484 120.0 9.815 9.815 20.398 0.000 0.000 -0.000 3/29484 130.0 8.942 8.942 18.736 0.000 0.000 -0.000 3/29484 140.0 8.187 8.187 17.254 0.000 0.000 -0.000 3/29484 150.0 7.524 7.524 15.921 0.000 0.000 -0.000 3/29484 160.0 6.936 6.936 14.714 0.000 0.000 -0.000 3/29484 170.0 6.412 6.412 13.621 0.000 0.000 -0.000 3/29484 180.0 5.942 5.942 12.631 0.000 0.000 -0.000 3/29484 190.0 5.521 5.521 11.733 0.000 0.000 -0.000 3/29484 200.0 5.141 5.141 10.920 0.000 0.000 -0.000 3/29484 210.0 4.799 4.799 10.185 0.000 0.000 -0.000 3/29484 220.0 4.491 4.491 9.520 0.000 0.000 -0.000 3/29484 230.0 4.212 4.212 8.918 0.000 0.000 -0.000 3/29484 240.0 3.960 3.960 8.373 0.000 0.000 -0.000 3/29484 250.0 3.732 3.732 7.880 0.000 0.000 -0.000 3/29484 260.0 3.524 3.524 7.432 0.000 0.000 -0.000 3/29484 270.0 3.335 3.335 7.025 0.000 0.000 -0.000 3/29484 280.0 3.163 3.163 6.655 0.000 0.000 -0.000 3/29484 290.0 3.006 3.006 6.317 0.000 0.000 -0.000 3/29484 300.0 2.862 2.862 6.009 0.000 0.000 -0.000 3/29484 310.0 2.730 2.730 5.726 0.000 0.000 -0.000 3/29484 320.0 2.609 2.609 5.467 0.000 0.000 -0.000 3/29484 330.0 2.497 2.497 5.229 0.000 0.000 -0.000 3/29484 340.0 2.393 2.393 5.009 0.000 0.000 -0.000 3/29484 350.0 2.298 2.298 4.806 0.000 0.000 -0.000 3/29484 360.0 2.209 2.209 4.619 0.000 0.000 -0.000 3/29484 370.0 2.127 2.127 4.444 0.000 0.000 -0.000 3/29484 380.0 2.050 2.050 4.282 0.000 0.000 -0.000 3/29484 390.0 1.979 1.979 4.132 0.000 0.000 -0.000 3/29484 400.0 1.912 1.912 3.991 0.000 0.000 -0.000 3/29484 410.0 1.849 1.849 3.859 0.000 0.000 -0.000 3/29484 420.0 1.790 1.790 3.736 0.000 0.000 -0.000 3/29484 430.0 1.735 1.735 3.621 0.000 0.000 -0.000 3/29484 440.0 1.683 1.683 3.512 0.000 0.000 -0.000 3/29484 450.0 1.635 1.635 3.410 0.000 0.000 -0.000 3/29484 460.0 1.588 1.588 3.313 0.000 0.000 -0.000 3/29484 470.0 1.545 1.545 3.222 0.000 0.000 -0.000 3/29484 480.0 1.504 1.504 3.136 0.000 0.000 -0.000 3/29484 490.0 1.465 1.465 3.054 0.000 0.000 -0.000 3/29484 500.0 1.427 1.427 2.977 0.000 0.000 -0.000 3/29484 510.0 1.392 1.392 2.904 0.000 0.000 -0.000 3/29484 520.0 1.359 1.359 2.834 0.000 0.000 -0.000 3/29484 530.0 1.327 1.327 2.767 0.000 0.000 -0.000 3/29484 540.0 1.296 1.296 2.704 0.000 0.000 -0.000 3/29484 550.0 1.267 1.267 2.644 0.000 0.000 -0.000 3/29484 560.0 1.240 1.240 2.586 0.000 0.000 -0.000 3/29484 570.0 1.213 1.213 2.531 0.000 0.000 -0.000 3/29484 580.0 1.188 1.188 2.478 0.000 0.000 -0.000 3/29484 590.0 1.163 1.163 2.428 0.000 0.000 -0.000 3/29484 600.0 1.140 1.140 2.379 0.000 0.000 -0.000 3/29484 610.0 1.118 1.118 2.333 0.000 0.000 -0.000 3/29484 620.0 1.096 1.096 2.288 0.000 0.000 -0.000 3/29484 630.0 1.076 1.076 2.245 0.000 0.000 -0.000 3/29484 640.0 1.056 1.056 2.204 0.000 0.000 -0.000 3/29484 650.0 1.037 1.037 2.164 0.000 0.000 -0.000 3/29484 660.0 1.018 1.018 2.126 0.000 0.000 -0.000 3/29484 670.0 1.000 1.000 2.089 0.000 0.000 -0.000 3/29484 680.0 0.983 0.983 2.053 0.000 0.000 -0.000 3/29484 690.0 0.967 0.967 2.019 0.000 0.000 -0.000 3/29484 700.0 0.951 0.951 1.986 0.000 0.000 -0.000 3/29484 710.0 0.935 0.935 1.954 0.000 0.000 -0.000 3/29484 720.0 0.920 0.920 1.923 0.000 0.000 -0.000 3/29484 730.0 0.906 0.906 1.893 0.000 0.000 -0.000 3/29484 740.0 0.892 0.892 1.864 0.000 0.000 -0.000 3/29484 750.0 0.878 0.878 1.836 0.000 0.000 -0.000 3/29484 760.0 0.865 0.865 1.808 0.000 0.000 -0.000 3/29484 770.0 0.853 0.853 1.782 0.000 0.000 -0.000 3/29484 780.0 0.840 0.840 1.756 0.000 0.000 -0.000 3/29484 790.0 0.828 0.828 1.731 0.000 0.000 -0.000 3/29484 800.0 0.817 0.817 1.707 0.000 0.000 -0.000 3/29484 810.0 0.805 0.805 1.684 0.000 0.000 -0.000 3/29484 820.0 0.794 0.794 1.661 0.000 0.000 -0.000 3/29484 830.0 0.784 0.784 1.639 0.000 0.000 -0.000 3/29484 840.0 0.773 0.773 1.617 0.000 0.000 -0.000 3/29484 850.0 0.763 0.763 1.596 0.000 0.000 -0.000 3/29484 860.0 0.753 0.753 1.576 0.000 0.000 -0.000 3/29484 870.0 0.744 0.744 1.556 0.000 0.000 -0.000 3/29484 880.0 0.734 0.734 1.536 0.000 0.000 -0.000 3/29484 890.0 0.725 0.725 1.517 0.000 0.000 -0.000 3/29484 900.0 0.716 0.716 1.499 0.000 0.000 -0.000 3/29484 910.0 0.708 0.708 1.481 0.000 0.000 -0.000 3/29484 920.0 0.699 0.699 1.463 0.000 0.000 -0.000 3/29484 930.0 0.691 0.691 1.446 0.000 0.000 -0.000 3/29484 940.0 0.683 0.683 1.430 0.000 0.000 -0.000 3/29484 950.0 0.675 0.675 1.413 0.000 0.000 -0.000 3/29484 960.0 0.667 0.667 1.397 0.000 0.000 -0.000 3/29484 970.0 0.660 0.660 1.382 0.000 0.000 -0.000 3/29484 980.0 0.653 0.653 1.366 0.000 0.000 -0.000 3/29484 990.0 0.646 0.646 1.352 0.000 0.000 -0.000 3/29484 1000.0 0.639 0.639 1.337 0.000 0.000 -0.000 3/29484 Thermal conductivity related properties were written into "kappa-m6613.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:41:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|