----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:49:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.086862989940584 0.000000000000000 0.000000000000000 b 0.000000000000000 7.668642830000000 0.000000000000000 c -6.943650587679310 0.000000000000000 10.628634169576731 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *2 Na 0.29523789066478 0.40542537940008 0.25734296731787 22.990 3 Na 0.70476210933522 0.90542537940008 0.24265703268213 22.990 4 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 5 Na 0.29523789066478 0.09457462059992 0.75734296731787 22.990 6 Na 0.70476210933522 0.59457462059992 0.74265703268213 22.990 *7 Br 0.38866677927834 0.32105394106150 0.56977074669673 79.904 8 Br 0.61133322072166 0.82105394106150 0.93022925330327 79.904 *9 Br 0.24480111421864 0.69204726340145 0.07827501758773 79.904 10 Br 0.75519888578136 0.19204726340145 0.42172498241227 79.904 11 Br 0.75519888578136 0.30795273659855 0.92172498241227 79.904 12 Br 0.24480111421864 0.80795273659855 0.57827501758773 79.904 *13 Br 0.90707801180169 0.94130773796601 0.75947041943479 79.904 14 Br 0.09292198819831 0.44130773796601 0.74052958056521 79.904 15 Br 0.09292198819831 0.05869226203399 0.24052958056521 79.904 16 Br 0.90707801180169 0.55869226203399 0.25947041943479 79.904 17 Br 0.38866677927834 0.17894605893850 0.06977074669673 79.904 18 Br 0.61133322072166 0.67894605893850 0.43022925330327 79.904 *19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.086862989940584 0.000000000000000 0.000000000000000 b 0.000000000000000 7.668642830000000 0.000000000000000 c -6.943650587679310 0.000000000000000 10.628634169576731 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 1 *2 Na 0.29523789066478 0.40542537940008 0.25734296731787 22.990 > 2 3 Na 0.70476210933522 0.90542537940008 0.24265703268213 22.990 > 3 4 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 4 5 Na 0.29523789066478 0.09457462059992 0.75734296731787 22.990 > 5 6 Na 0.70476210933522 0.59457462059992 0.74265703268213 22.990 > 6 *7 Br 0.38866677927834 0.32105394106150 0.56977074669673 79.904 > 7 8 Br 0.61133322072166 0.82105394106150 0.93022925330327 79.904 > 8 *9 Br 0.24480111421864 0.69204726340145 0.07827501758773 79.904 > 9 10 Br 0.75519888578136 0.19204726340145 0.42172498241227 79.904 > 10 11 Br 0.75519888578136 0.30795273659855 0.92172498241227 79.904 > 11 12 Br 0.24480111421864 0.80795273659855 0.57827501758773 79.904 > 12 *13 Br 0.90707801180169 0.94130773796601 0.75947041943479 79.904 > 13 14 Br 0.09292198819831 0.44130773796601 0.74052958056521 79.904 > 14 15 Br 0.09292198819831 0.05869226203399 0.24052958056521 79.904 > 15 16 Br 0.90707801180169 0.55869226203399 0.25947041943479 79.904 > 16 17 Br 0.38866677927834 0.17894605893850 0.06977074669673 79.904 > 17 18 Br 0.61133322072166 0.67894605893850 0.43022925330327 79.904 > 18 *19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 > 19 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.173725979881167 0.000000000000000 0.000000000000000 b 0.000000000000000 15.337285659999999 0.000000000000000 c -6.943650587679310 0.000000000000000 10.628634169576731 Atomic positions (fractional): *1 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 1 2 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 1 3 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 1 4 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 1 *5 Na 0.14761894533239 0.20271268970004 0.25734296731787 22.990 > 2 6 Na 0.64761894533239 0.20271268970004 0.25734296731787 22.990 > 2 7 Na 0.14761894533239 0.70271268970004 0.25734296731787 22.990 > 2 8 Na 0.64761894533239 0.70271268970004 0.25734296731787 22.990 > 2 9 Na 0.35238105466761 0.45271268970004 0.24265703268213 22.990 > 3 10 Na 0.85238105466761 0.45271268970004 0.24265703268213 22.990 > 3 11 Na 0.35238105466761 0.95271268970004 0.24265703268213 22.990 > 3 12 Na 0.85238105466761 0.95271268970004 0.24265703268213 22.990 > 3 13 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 4 14 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 4 15 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 4 16 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 4 17 Na 0.14761894533239 0.04728731029996 0.75734296731787 22.990 > 5 18 Na 0.64761894533239 0.04728731029996 0.75734296731787 22.990 > 5 19 Na 0.14761894533239 0.54728731029996 0.75734296731787 22.990 > 5 20 Na 0.64761894533239 0.54728731029996 0.75734296731787 22.990 > 5 21 Na 0.35238105466761 0.29728731029996 0.74265703268213 22.990 > 6 22 Na 0.85238105466761 0.29728731029996 0.74265703268213 22.990 > 6 23 Na 0.35238105466761 0.79728731029996 0.74265703268213 22.990 > 6 24 Na 0.85238105466761 0.79728731029996 0.74265703268213 22.990 > 6 *25 Br 0.19433338963917 0.16052697053075 0.56977074669673 79.904 > 7 26 Br 0.69433338963917 0.16052697053075 0.56977074669673 79.904 > 7 27 Br 0.19433338963917 0.66052697053075 0.56977074669673 79.904 > 7 28 Br 0.69433338963917 0.66052697053075 0.56977074669673 79.904 > 7 29 Br 0.30566661036083 0.41052697053075 0.93022925330327 79.904 > 8 30 Br 0.80566661036083 0.41052697053075 0.93022925330327 79.904 > 8 31 Br 0.30566661036083 0.91052697053075 0.93022925330327 79.904 > 8 32 Br 0.80566661036083 0.91052697053075 0.93022925330327 79.904 > 8 *33 Br 0.12240055710932 0.34602363170073 0.07827501758773 79.904 > 9 34 Br 0.62240055710932 0.34602363170073 0.07827501758773 79.904 > 9 35 Br 0.12240055710932 0.84602363170073 0.07827501758773 79.904 > 9 36 Br 0.62240055710932 0.84602363170073 0.07827501758773 79.904 > 9 37 Br 0.37759944289068 0.09602363170073 0.42172498241227 79.904 > 10 38 Br 0.87759944289068 0.09602363170073 0.42172498241227 79.904 > 10 39 Br 0.37759944289068 0.59602363170073 0.42172498241227 79.904 > 10 40 Br 0.87759944289068 0.59602363170073 0.42172498241227 79.904 > 10 41 Br 0.37759944289068 0.15397636829927 0.92172498241227 79.904 > 11 42 Br 0.87759944289068 0.15397636829927 0.92172498241227 79.904 > 11 43 Br 0.37759944289068 0.65397636829927 0.92172498241227 79.904 > 11 44 Br 0.87759944289068 0.65397636829927 0.92172498241227 79.904 > 11 45 Br 0.12240055710932 0.40397636829927 0.57827501758773 79.904 > 12 46 Br 0.62240055710932 0.40397636829927 0.57827501758773 79.904 > 12 47 Br 0.12240055710932 0.90397636829927 0.57827501758773 79.904 > 12 48 Br 0.62240055710932 0.90397636829927 0.57827501758773 79.904 > 12 *49 Br 0.45353900590084 0.47065386898301 0.75947041943479 79.904 > 13 50 Br 0.95353900590084 0.47065386898301 0.75947041943479 79.904 > 13 51 Br 0.45353900590084 0.97065386898301 0.75947041943479 79.904 > 13 52 Br 0.95353900590084 0.97065386898301 0.75947041943479 79.904 > 13 53 Br 0.04646099409916 0.22065386898301 0.74052958056521 79.904 > 14 54 Br 0.54646099409916 0.22065386898301 0.74052958056521 79.904 > 14 55 Br 0.04646099409916 0.72065386898301 0.74052958056521 79.904 > 14 56 Br 0.54646099409916 0.72065386898301 0.74052958056521 79.904 > 14 57 Br 0.04646099409916 0.02934613101699 0.24052958056521 79.904 > 15 58 Br 0.54646099409916 0.02934613101699 0.24052958056521 79.904 > 15 59 Br 0.04646099409916 0.52934613101699 0.24052958056521 79.904 > 15 60 Br 0.54646099409916 0.52934613101699 0.24052958056521 79.904 > 15 61 Br 0.45353900590084 0.27934613101699 0.25947041943479 79.904 > 16 62 Br 0.95353900590084 0.27934613101699 0.25947041943479 79.904 > 16 63 Br 0.45353900590084 0.77934613101699 0.25947041943479 79.904 > 16 64 Br 0.95353900590084 0.77934613101699 0.25947041943479 79.904 > 16 65 Br 0.19433338963917 0.08947302946925 0.06977074669673 79.904 > 17 66 Br 0.69433338963917 0.08947302946925 0.06977074669673 79.904 > 17 67 Br 0.19433338963917 0.58947302946925 0.06977074669673 79.904 > 17 68 Br 0.69433338963917 0.58947302946925 0.06977074669673 79.904 > 17 69 Br 0.30566661036083 0.33947302946925 0.43022925330327 79.904 > 18 70 Br 0.80566661036083 0.33947302946925 0.43022925330327 79.904 > 18 71 Br 0.30566661036083 0.83947302946925 0.43022925330327 79.904 > 18 72 Br 0.80566661036083 0.83947302946925 0.43022925330327 79.904 > 18 *73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 19 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 19 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 19 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 19 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 20 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 20 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 20 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2920314 0.0000000 0.0249794 0.0000000 3.2982489 0.0000000 0.0249789 0.0000000 3.3313242 -------------------------- Born effective charges -------------------------- 1 Na 1.2051260 0.1039109 -0.1300292 -0.1007973 1.2850277 0.0162943 0.1205516 0.0732529 1.2303949 2 Na 1.2104677 0.0023549 0.0699807 0.0493614 1.2655790 0.0301350 -0.0163292 0.1205187 1.2064798 3 Na 1.2104677 -0.0023549 0.0699807 -0.0493614 1.2655790 -0.0301350 -0.0163292 -0.1205187 1.2064798 4 Na 1.2051260 -0.1039109 -0.1300292 0.1007973 1.2850277 -0.0162943 0.1205516 -0.0732529 1.2303949 5 Na 1.2104677 -0.0023549 0.0699807 -0.0493614 1.2655790 -0.0301350 -0.0163292 -0.1205187 1.2064798 6 Na 1.2104677 0.0023549 0.0699807 0.0493614 1.2655790 0.0301350 -0.0163292 0.1205187 1.2064798 7 Br -1.4762630 0.4189068 -0.1714397 0.4465704 -1.1805319 0.1258638 -0.1718586 0.0743973 -0.8948982 8 Br -1.4762630 -0.4189068 -0.1714397 -0.4465704 -1.1805319 -0.1258638 -0.1718586 -0.0743973 -0.8948982 9 Br -1.0716534 0.4184638 -0.1772862 0.4239341 -1.6657289 0.3302287 -0.1858481 0.3372200 -0.9232738 10 Br -1.0716534 -0.4184638 -0.1772862 -0.4239341 -1.6657289 -0.3302287 -0.1858481 -0.3372200 -0.9232738 11 Br -1.0716534 0.4184638 -0.1772862 0.4239341 -1.6657289 0.3302287 -0.1858481 0.3372200 -0.9232738 12 Br -1.0716534 -0.4184638 -0.1772862 -0.4239341 -1.6657289 -0.3302287 -0.1858481 -0.3372200 -0.9232738 13 Br -1.0071453 -0.0547359 0.2779633 -0.0887897 -0.8108153 -0.1783289 0.2883469 -0.1526787 -1.7293400 14 Br -1.0071453 0.0547359 0.2779633 0.0887897 -0.8108153 0.1783289 0.2883469 0.1526787 -1.7293400 15 Br -1.0071453 -0.0547359 0.2779633 -0.0887897 -0.8108153 -0.1783289 0.2883469 -0.1526787 -1.7293400 16 Br -1.0071453 0.0547359 0.2779633 0.0887897 -0.8108153 0.1783289 0.2883469 0.1526787 -1.7293400 17 Br -1.4762630 -0.4189068 -0.1714397 -0.4465704 -1.1805319 -0.1258638 -0.1718586 -0.0743973 -0.8948982 18 Br -1.4762630 0.4189068 -0.1714397 0.4465704 -1.1805319 0.1258638 -0.1718586 0.0743973 -0.8948982 19 Y 3.4840620 0.1229878 0.1315928 -0.0193530 3.4979666 -0.0678358 0.0508263 0.0618640 3.4516697 20 Y 3.4840620 -0.1229878 0.1315928 0.0193530 3.4979666 0.0678358 0.0508263 -0.0618640 3.4516697 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.268 Solver_block: 200 / 640 - Time: 2.214 Solver_block: 300 / 640 - Time: 2.211 Solver_block: 400 / 640 - Time: 2.209 Solver_block: 500 / 640 - Time: 2.219 Solver_block: 600 / 640 - Time: 2.201 Solver_block: 640 / 640 - Time: 0.946 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.315 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:50:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:50:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.086862989940584 0.000000000000000 0.000000000000000 b 0.000000000000000 7.668642830000000 0.000000000000000 c -6.943650587679310 0.000000000000000 10.628634169576731 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 2 Na 0.29523789066478 0.40542537940008 0.25734296731787 22.990 3 Na 0.70476210933522 0.90542537940008 0.24265703268213 22.990 4 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 5 Na 0.29523789066478 0.09457462059992 0.75734296731787 22.990 6 Na 0.70476210933522 0.59457462059992 0.74265703268213 22.990 7 Br 0.38866677927834 0.32105394106150 0.56977074669673 79.904 8 Br 0.61133322072166 0.82105394106150 0.93022925330327 79.904 9 Br 0.24480111421864 0.69204726340145 0.07827501758773 79.904 10 Br 0.75519888578136 0.19204726340145 0.42172498241227 79.904 11 Br 0.75519888578136 0.30795273659855 0.92172498241227 79.904 12 Br 0.24480111421864 0.80795273659855 0.57827501758773 79.904 13 Br 0.90707801180169 0.94130773796601 0.75947041943479 79.904 14 Br 0.09292198819831 0.44130773796601 0.74052958056521 79.904 15 Br 0.09292198819831 0.05869226203399 0.24052958056521 79.904 16 Br 0.90707801180169 0.55869226203399 0.25947041943479 79.904 17 Br 0.38866677927834 0.17894605893850 0.06977074669673 79.904 18 Br 0.61133322072166 0.67894605893850 0.43022925330327 79.904 19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.173725979881167 0.000000000000000 0.000000000000000 b 0.000000000000000 15.337285659999999 0.000000000000000 c -6.943650587679310 0.000000000000000 10.628634169576731 Atomic positions (fractional): 1 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 1 2 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 1 3 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 1 4 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 1 5 Na 0.14761894533239 0.20271268970004 0.25734296731787 22.990 > 5 6 Na 0.64761894533239 0.20271268970004 0.25734296731787 22.990 > 5 7 Na 0.14761894533239 0.70271268970004 0.25734296731787 22.990 > 5 8 Na 0.64761894533239 0.70271268970004 0.25734296731787 22.990 > 5 9 Na 0.35238105466761 0.45271268970004 0.24265703268213 22.990 > 9 10 Na 0.85238105466761 0.45271268970004 0.24265703268213 22.990 > 9 11 Na 0.35238105466761 0.95271268970004 0.24265703268213 22.990 > 9 12 Na 0.85238105466761 0.95271268970004 0.24265703268213 22.990 > 9 13 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 13 14 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 13 15 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 13 16 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 13 17 Na 0.14761894533239 0.04728731029996 0.75734296731787 22.990 > 17 18 Na 0.64761894533239 0.04728731029996 0.75734296731787 22.990 > 17 19 Na 0.14761894533239 0.54728731029996 0.75734296731787 22.990 > 17 20 Na 0.64761894533239 0.54728731029996 0.75734296731787 22.990 > 17 21 Na 0.35238105466761 0.29728731029996 0.74265703268213 22.990 > 21 22 Na 0.85238105466761 0.29728731029996 0.74265703268213 22.990 > 21 23 Na 0.35238105466761 0.79728731029996 0.74265703268213 22.990 > 21 24 Na 0.85238105466761 0.79728731029996 0.74265703268213 22.990 > 21 25 Br 0.19433338963917 0.16052697053075 0.56977074669673 79.904 > 25 26 Br 0.69433338963917 0.16052697053075 0.56977074669673 79.904 > 25 27 Br 0.19433338963917 0.66052697053075 0.56977074669673 79.904 > 25 28 Br 0.69433338963917 0.66052697053075 0.56977074669673 79.904 > 25 29 Br 0.30566661036083 0.41052697053075 0.93022925330327 79.904 > 29 30 Br 0.80566661036083 0.41052697053075 0.93022925330327 79.904 > 29 31 Br 0.30566661036083 0.91052697053075 0.93022925330327 79.904 > 29 32 Br 0.80566661036083 0.91052697053075 0.93022925330327 79.904 > 29 33 Br 0.12240055710932 0.34602363170073 0.07827501758773 79.904 > 33 34 Br 0.62240055710932 0.34602363170073 0.07827501758773 79.904 > 33 35 Br 0.12240055710932 0.84602363170073 0.07827501758773 79.904 > 33 36 Br 0.62240055710932 0.84602363170073 0.07827501758773 79.904 > 33 37 Br 0.37759944289068 0.09602363170073 0.42172498241227 79.904 > 37 38 Br 0.87759944289068 0.09602363170073 0.42172498241227 79.904 > 37 39 Br 0.37759944289068 0.59602363170073 0.42172498241227 79.904 > 37 40 Br 0.87759944289068 0.59602363170073 0.42172498241227 79.904 > 37 41 Br 0.37759944289068 0.15397636829927 0.92172498241227 79.904 > 41 42 Br 0.87759944289068 0.15397636829927 0.92172498241227 79.904 > 41 43 Br 0.37759944289068 0.65397636829927 0.92172498241227 79.904 > 41 44 Br 0.87759944289068 0.65397636829927 0.92172498241227 79.904 > 41 45 Br 0.12240055710932 0.40397636829927 0.57827501758773 79.904 > 45 46 Br 0.62240055710932 0.40397636829927 0.57827501758773 79.904 > 45 47 Br 0.12240055710932 0.90397636829927 0.57827501758773 79.904 > 45 48 Br 0.62240055710932 0.90397636829927 0.57827501758773 79.904 > 45 49 Br 0.45353900590084 0.47065386898301 0.75947041943479 79.904 > 49 50 Br 0.95353900590084 0.47065386898301 0.75947041943479 79.904 > 49 51 Br 0.45353900590084 0.97065386898301 0.75947041943479 79.904 > 49 52 Br 0.95353900590084 0.97065386898301 0.75947041943479 79.904 > 49 53 Br 0.04646099409916 0.22065386898301 0.74052958056521 79.904 > 53 54 Br 0.54646099409916 0.22065386898301 0.74052958056521 79.904 > 53 55 Br 0.04646099409916 0.72065386898301 0.74052958056521 79.904 > 53 56 Br 0.54646099409916 0.72065386898301 0.74052958056521 79.904 > 53 57 Br 0.04646099409916 0.02934613101699 0.24052958056521 79.904 > 57 58 Br 0.54646099409916 0.02934613101699 0.24052958056521 79.904 > 57 59 Br 0.04646099409916 0.52934613101699 0.24052958056521 79.904 > 57 60 Br 0.54646099409916 0.52934613101699 0.24052958056521 79.904 > 57 61 Br 0.45353900590084 0.27934613101699 0.25947041943479 79.904 > 61 62 Br 0.95353900590084 0.27934613101699 0.25947041943479 79.904 > 61 63 Br 0.45353900590084 0.77934613101699 0.25947041943479 79.904 > 61 64 Br 0.95353900590084 0.77934613101699 0.25947041943479 79.904 > 61 65 Br 0.19433338963917 0.08947302946925 0.06977074669673 79.904 > 65 66 Br 0.69433338963917 0.08947302946925 0.06977074669673 79.904 > 65 67 Br 0.19433338963917 0.58947302946925 0.06977074669673 79.904 > 65 68 Br 0.69433338963917 0.58947302946925 0.06977074669673 79.904 > 65 69 Br 0.30566661036083 0.33947302946925 0.43022925330327 79.904 > 69 70 Br 0.80566661036083 0.33947302946925 0.43022925330327 79.904 > 69 71 Br 0.30566661036083 0.83947302946925 0.43022925330327 79.904 > 69 72 Br 0.80566661036083 0.83947302946925 0.43022925330327 79.904 > 69 73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 73 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 73 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 73 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 73 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 77 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 77 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 77 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2920314 0.0000000 0.0249794 0.0000000 3.2982489 0.0000000 0.0249789 0.0000000 3.3313242 -------------------------- Born effective charges -------------------------- 1 Na 1.2051260 0.1039109 -0.1300292 -0.1007973 1.2850277 0.0162943 0.1205516 0.0732529 1.2303949 2 Na 1.2104677 0.0023549 0.0699807 0.0493614 1.2655790 0.0301350 -0.0163292 0.1205187 1.2064798 3 Na 1.2104677 -0.0023549 0.0699807 -0.0493614 1.2655790 -0.0301350 -0.0163292 -0.1205187 1.2064798 4 Na 1.2051260 -0.1039109 -0.1300292 0.1007973 1.2850277 -0.0162943 0.1205516 -0.0732529 1.2303949 5 Na 1.2104677 -0.0023549 0.0699807 -0.0493614 1.2655790 -0.0301350 -0.0163292 -0.1205187 1.2064798 6 Na 1.2104677 0.0023549 0.0699807 0.0493614 1.2655790 0.0301350 -0.0163292 0.1205187 1.2064798 7 Br -1.4762630 0.4189068 -0.1714397 0.4465704 -1.1805319 0.1258638 -0.1718586 0.0743973 -0.8948982 8 Br -1.4762630 -0.4189068 -0.1714397 -0.4465704 -1.1805319 -0.1258638 -0.1718586 -0.0743973 -0.8948982 9 Br -1.0716534 0.4184638 -0.1772862 0.4239341 -1.6657289 0.3302287 -0.1858481 0.3372200 -0.9232738 10 Br -1.0716534 -0.4184638 -0.1772862 -0.4239341 -1.6657289 -0.3302287 -0.1858481 -0.3372200 -0.9232738 11 Br -1.0716534 0.4184638 -0.1772862 0.4239341 -1.6657289 0.3302287 -0.1858481 0.3372200 -0.9232738 12 Br -1.0716534 -0.4184638 -0.1772862 -0.4239341 -1.6657289 -0.3302287 -0.1858481 -0.3372200 -0.9232738 13 Br -1.0071453 -0.0547359 0.2779633 -0.0887897 -0.8108153 -0.1783289 0.2883469 -0.1526787 -1.7293400 14 Br -1.0071453 0.0547359 0.2779633 0.0887897 -0.8108153 0.1783289 0.2883469 0.1526787 -1.7293400 15 Br -1.0071453 -0.0547359 0.2779633 -0.0887897 -0.8108153 -0.1783289 0.2883469 -0.1526787 -1.7293400 16 Br -1.0071453 0.0547359 0.2779633 0.0887897 -0.8108153 0.1783289 0.2883469 0.1526787 -1.7293400 17 Br -1.4762630 -0.4189068 -0.1714397 -0.4465704 -1.1805319 -0.1258638 -0.1718586 -0.0743973 -0.8948982 18 Br -1.4762630 0.4189068 -0.1714397 0.4465704 -1.1805319 0.1258638 -0.1718586 0.0743973 -0.8948982 19 Y 3.4840620 0.1229878 0.1315928 -0.0193530 3.4979666 -0.0678358 0.0508263 0.0618640 3.4516697 20 Y 3.4840620 -0.1229878 0.1315928 0.0193530 3.4979666 0.0678358 0.0508263 -0.0618640 3.4516697 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:50:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:50:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.086862989940584 0.000000000000000 0.000000000000000 b 0.000000000000000 7.668642830000000 0.000000000000000 c -6.943650587679310 0.000000000000000 10.628634169576731 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 2 Na 0.29523789066478 0.40542537940008 0.25734296731787 22.990 3 Na 0.70476210933522 0.90542537940008 0.24265703268213 22.990 4 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 5 Na 0.29523789066478 0.09457462059992 0.75734296731787 22.990 6 Na 0.70476210933522 0.59457462059992 0.74265703268213 22.990 7 Br 0.38866677927834 0.32105394106150 0.56977074669673 79.904 8 Br 0.61133322072166 0.82105394106150 0.93022925330327 79.904 9 Br 0.24480111421864 0.69204726340145 0.07827501758773 79.904 10 Br 0.75519888578136 0.19204726340145 0.42172498241227 79.904 11 Br 0.75519888578136 0.30795273659855 0.92172498241227 79.904 12 Br 0.24480111421864 0.80795273659855 0.57827501758773 79.904 13 Br 0.90707801180169 0.94130773796601 0.75947041943479 79.904 14 Br 0.09292198819831 0.44130773796601 0.74052958056521 79.904 15 Br 0.09292198819831 0.05869226203399 0.24052958056521 79.904 16 Br 0.90707801180169 0.55869226203399 0.25947041943479 79.904 17 Br 0.38866677927834 0.17894605893850 0.06977074669673 79.904 18 Br 0.61133322072166 0.67894605893850 0.43022925330327 79.904 19 Y 0.00000000000000 0.50000000000000 0.50000000000000 88.906 20 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.173725979881167 0.000000000000000 0.000000000000000 b 0.000000000000000 15.337285659999999 0.000000000000000 c -6.943650587679310 0.000000000000000 10.628634169576731 Atomic positions (fractional): 1 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 1 2 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 1 3 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 1 4 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 1 5 Na 0.14761894533239 0.20271268970004 0.25734296731787 22.990 > 5 6 Na 0.64761894533239 0.20271268970004 0.25734296731787 22.990 > 5 7 Na 0.14761894533239 0.70271268970004 0.25734296731787 22.990 > 5 8 Na 0.64761894533239 0.70271268970004 0.25734296731787 22.990 > 5 9 Na 0.35238105466761 0.45271268970004 0.24265703268213 22.990 > 9 10 Na 0.85238105466761 0.45271268970004 0.24265703268213 22.990 > 9 11 Na 0.35238105466761 0.95271268970004 0.24265703268213 22.990 > 9 12 Na 0.85238105466761 0.95271268970004 0.24265703268213 22.990 > 9 13 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 13 14 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 13 15 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 13 16 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 13 17 Na 0.14761894533239 0.04728731029996 0.75734296731787 22.990 > 17 18 Na 0.64761894533239 0.04728731029996 0.75734296731787 22.990 > 17 19 Na 0.14761894533239 0.54728731029996 0.75734296731787 22.990 > 17 20 Na 0.64761894533239 0.54728731029996 0.75734296731787 22.990 > 17 21 Na 0.35238105466761 0.29728731029996 0.74265703268213 22.990 > 21 22 Na 0.85238105466761 0.29728731029996 0.74265703268213 22.990 > 21 23 Na 0.35238105466761 0.79728731029996 0.74265703268213 22.990 > 21 24 Na 0.85238105466761 0.79728731029996 0.74265703268213 22.990 > 21 25 Br 0.19433338963917 0.16052697053075 0.56977074669673 79.904 > 25 26 Br 0.69433338963917 0.16052697053075 0.56977074669673 79.904 > 25 27 Br 0.19433338963917 0.66052697053075 0.56977074669673 79.904 > 25 28 Br 0.69433338963917 0.66052697053075 0.56977074669673 79.904 > 25 29 Br 0.30566661036083 0.41052697053075 0.93022925330327 79.904 > 29 30 Br 0.80566661036083 0.41052697053075 0.93022925330327 79.904 > 29 31 Br 0.30566661036083 0.91052697053075 0.93022925330327 79.904 > 29 32 Br 0.80566661036083 0.91052697053075 0.93022925330327 79.904 > 29 33 Br 0.12240055710932 0.34602363170073 0.07827501758773 79.904 > 33 34 Br 0.62240055710932 0.34602363170073 0.07827501758773 79.904 > 33 35 Br 0.12240055710932 0.84602363170073 0.07827501758773 79.904 > 33 36 Br 0.62240055710932 0.84602363170073 0.07827501758773 79.904 > 33 37 Br 0.37759944289068 0.09602363170073 0.42172498241227 79.904 > 37 38 Br 0.87759944289068 0.09602363170073 0.42172498241227 79.904 > 37 39 Br 0.37759944289068 0.59602363170073 0.42172498241227 79.904 > 37 40 Br 0.87759944289068 0.59602363170073 0.42172498241227 79.904 > 37 41 Br 0.37759944289068 0.15397636829927 0.92172498241227 79.904 > 41 42 Br 0.87759944289068 0.15397636829927 0.92172498241227 79.904 > 41 43 Br 0.37759944289068 0.65397636829927 0.92172498241227 79.904 > 41 44 Br 0.87759944289068 0.65397636829927 0.92172498241227 79.904 > 41 45 Br 0.12240055710932 0.40397636829927 0.57827501758773 79.904 > 45 46 Br 0.62240055710932 0.40397636829927 0.57827501758773 79.904 > 45 47 Br 0.12240055710932 0.90397636829927 0.57827501758773 79.904 > 45 48 Br 0.62240055710932 0.90397636829927 0.57827501758773 79.904 > 45 49 Br 0.45353900590084 0.47065386898301 0.75947041943479 79.904 > 49 50 Br 0.95353900590084 0.47065386898301 0.75947041943479 79.904 > 49 51 Br 0.45353900590084 0.97065386898301 0.75947041943479 79.904 > 49 52 Br 0.95353900590084 0.97065386898301 0.75947041943479 79.904 > 49 53 Br 0.04646099409916 0.22065386898301 0.74052958056521 79.904 > 53 54 Br 0.54646099409916 0.22065386898301 0.74052958056521 79.904 > 53 55 Br 0.04646099409916 0.72065386898301 0.74052958056521 79.904 > 53 56 Br 0.54646099409916 0.72065386898301 0.74052958056521 79.904 > 53 57 Br 0.04646099409916 0.02934613101699 0.24052958056521 79.904 > 57 58 Br 0.54646099409916 0.02934613101699 0.24052958056521 79.904 > 57 59 Br 0.04646099409916 0.52934613101699 0.24052958056521 79.904 > 57 60 Br 0.54646099409916 0.52934613101699 0.24052958056521 79.904 > 57 61 Br 0.45353900590084 0.27934613101699 0.25947041943479 79.904 > 61 62 Br 0.95353900590084 0.27934613101699 0.25947041943479 79.904 > 61 63 Br 0.45353900590084 0.77934613101699 0.25947041943479 79.904 > 61 64 Br 0.95353900590084 0.77934613101699 0.25947041943479 79.904 > 61 65 Br 0.19433338963917 0.08947302946925 0.06977074669673 79.904 > 65 66 Br 0.69433338963917 0.08947302946925 0.06977074669673 79.904 > 65 67 Br 0.19433338963917 0.58947302946925 0.06977074669673 79.904 > 65 68 Br 0.69433338963917 0.58947302946925 0.06977074669673 79.904 > 65 69 Br 0.30566661036083 0.33947302946925 0.43022925330327 79.904 > 69 70 Br 0.80566661036083 0.33947302946925 0.43022925330327 79.904 > 69 71 Br 0.30566661036083 0.83947302946925 0.43022925330327 79.904 > 69 72 Br 0.80566661036083 0.83947302946925 0.43022925330327 79.904 > 69 73 Y 0.00000000000000 0.25000000000000 0.50000000000000 88.906 > 73 74 Y 0.50000000000000 0.25000000000000 0.50000000000000 88.906 > 73 75 Y 0.00000000000000 0.75000000000000 0.50000000000000 88.906 > 73 76 Y 0.50000000000000 0.75000000000000 0.50000000000000 88.906 > 73 77 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 77 78 Y 0.50000000000000 0.00000000000000 0.00000000000000 88.906 > 77 79 Y 0.00000000000000 0.50000000000000 0.00000000000000 88.906 > 77 80 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2920314 0.0000000 0.0249794 0.0000000 3.2982489 0.0000000 0.0249789 0.0000000 3.3313242 -------------------------- Born effective charges -------------------------- 1 Na 1.2051260 0.1039109 -0.1300292 -0.1007973 1.2850277 0.0162943 0.1205516 0.0732529 1.2303949 2 Na 1.2104677 0.0023549 0.0699807 0.0493614 1.2655790 0.0301350 -0.0163292 0.1205187 1.2064798 3 Na 1.2104677 -0.0023549 0.0699807 -0.0493614 1.2655790 -0.0301350 -0.0163292 -0.1205187 1.2064798 4 Na 1.2051260 -0.1039109 -0.1300292 0.1007973 1.2850277 -0.0162943 0.1205516 -0.0732529 1.2303949 5 Na 1.2104677 -0.0023549 0.0699807 -0.0493614 1.2655790 -0.0301350 -0.0163292 -0.1205187 1.2064798 6 Na 1.2104677 0.0023549 0.0699807 0.0493614 1.2655790 0.0301350 -0.0163292 0.1205187 1.2064798 7 Br -1.4762630 0.4189068 -0.1714397 0.4465704 -1.1805319 0.1258638 -0.1718586 0.0743973 -0.8948982 8 Br -1.4762630 -0.4189068 -0.1714397 -0.4465704 -1.1805319 -0.1258638 -0.1718586 -0.0743973 -0.8948982 9 Br -1.0716534 0.4184638 -0.1772862 0.4239341 -1.6657289 0.3302287 -0.1858481 0.3372200 -0.9232738 10 Br -1.0716534 -0.4184638 -0.1772862 -0.4239341 -1.6657289 -0.3302287 -0.1858481 -0.3372200 -0.9232738 11 Br -1.0716534 0.4184638 -0.1772862 0.4239341 -1.6657289 0.3302287 -0.1858481 0.3372200 -0.9232738 12 Br -1.0716534 -0.4184638 -0.1772862 -0.4239341 -1.6657289 -0.3302287 -0.1858481 -0.3372200 -0.9232738 13 Br -1.0071453 -0.0547359 0.2779633 -0.0887897 -0.8108153 -0.1783289 0.2883469 -0.1526787 -1.7293400 14 Br -1.0071453 0.0547359 0.2779633 0.0887897 -0.8108153 0.1783289 0.2883469 0.1526787 -1.7293400 15 Br -1.0071453 -0.0547359 0.2779633 -0.0887897 -0.8108153 -0.1783289 0.2883469 -0.1526787 -1.7293400 16 Br -1.0071453 0.0547359 0.2779633 0.0887897 -0.8108153 0.1783289 0.2883469 0.1526787 -1.7293400 17 Br -1.4762630 -0.4189068 -0.1714397 -0.4465704 -1.1805319 -0.1258638 -0.1718586 -0.0743973 -0.8948982 18 Br -1.4762630 0.4189068 -0.1714397 0.4465704 -1.1805319 0.1258638 -0.1718586 0.0743973 -0.8948982 19 Y 3.4840620 0.1229878 0.1315928 -0.0193530 3.4979666 -0.0678358 0.0508263 0.0618640 3.4516697 20 Y 3.4840620 -0.1229878 0.1315928 0.0193530 3.4979666 0.0678358 0.0508263 -0.0618640 3.4516697 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 5 ] 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: 0.50, Number of G-points: 307, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.542 ( 0.000 0.000 0.000) 0.000 0.634 ( 0.000 0.000 0.000) 0.000 0.950 ( 0.000 0.000 0.000) 0.000 1.022 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.497 ( 0.000 0.000 0.000) 0.000 1.563 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.131 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 4.962 ( 0.000 0.000 0.000) 0.000 4.976 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 14.100 0.000 4.394) 14.769 0.321 ( 13.342 0.000 6.398) 14.797 0.553 ( 13.428 0.000 18.725) 23.042 0.642 ( -2.952 0.000 11.060) 11.447 0.706 ( 4.950 0.000 2.316) 5.465 0.967 ( -0.073 0.000 -3.701) 3.702 0.994 ( 2.412 0.000 3.557) 4.298 1.266 ( -5.163 0.000 -5.183) 7.316 1.276 ( -2.765 0.000 -3.031) 4.102 1.319 ( -3.647 0.000 5.438) 6.548 1.406 ( 0.404 0.000 -4.715) 4.732 1.452 ( -1.457 0.000 2.480) 2.876 1.539 ( -3.849 0.000 2.058) 4.365 1.668 ( -1.039 0.000 0.357) 1.099 1.681 ( 2.512 0.000 0.132) 2.515 1.753 ( 2.329 0.000 -1.342) 2.688 1.836 ( -3.780 0.000 -4.548) 5.914 1.837 ( -2.688 0.000 -7.593) 8.055 1.937 ( -2.168 0.000 2.592) 3.379 1.938 ( 2.596 0.000 2.425) 3.553 2.136 ( -0.494 0.000 6.767) 6.786 2.167 ( 4.038 0.000 -0.949) 4.148 2.223 ( -4.333 0.000 2.783) 5.150 2.248 ( 2.012 0.000 -0.031) 2.013 2.261 ( 1.605 0.000 0.212) 1.619 2.397 ( 4.609 0.000 2.007) 5.027 2.444 ( -3.114 0.000 -7.048) 7.705 2.447 ( 3.239 0.000 2.833) 4.303 2.623 ( 1.789 0.000 1.820) 2.552 2.628 ( 1.414 0.000 -1.347) 1.953 2.683 ( -3.061 0.000 -1.113) 3.257 2.850 ( -0.443 0.000 2.220) 2.263 2.979 ( -4.452 0.000 10.798) 11.679 3.143 ( -0.718 0.000 0.095) 0.725 3.162 ( 4.269 0.000 -0.235) 4.275 3.229 ( 1.975 0.000 2.014) 2.821 3.331 ( -2.367 0.000 -1.641) 2.880 3.477 ( 0.758 0.000 -6.078) 6.125 3.687 ( 2.052 0.000 -5.117) 5.513 3.730 ( -1.230 0.000 -0.023) 1.230 3.902 ( 0.453 0.000 2.963) 2.997 4.022 ( 3.334 0.000 0.216) 3.341 4.082 ( -2.314 0.000 -1.838) 2.955 4.267 ( -0.655 0.000 -3.004) 3.075 4.324 ( -0.724 0.000 -0.362) 0.810 4.343 ( -1.291 0.000 0.302) 1.326 4.476 ( -5.844 0.000 0.021) 5.844 4.658 ( -8.066 0.000 12.549) 14.917 4.801 ( -10.434 0.000 -1.151) 10.497 4.803 ( -8.933 0.000 0.151) 8.934 5.066 ( 2.872 0.000 1.456) 3.220 5.082 ( 4.670 0.000 -4.121) 6.228 5.360 ( 7.079 0.000 0.538) 7.100 5.372 ( 8.634 0.000 1.274) 8.728 5.471 ( -0.858 0.000 4.217) 4.303 5.691 ( 0.779 0.000 3.924) 4.001 6.035 ( -0.928 0.000 4.783) 4.872 6.081 ( -1.877 0.000 -9.617) 9.799 6.243 ( 3.420 0.000 -3.286) 4.743 6.901 ( 0.748 0.000 -7.265) 7.303 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 11.622 0.000 1.905) 11.777 0.587 ( 5.637 0.000 4.263) 7.067 0.644 ( 4.638 0.000 1.260) 4.806 0.766 ( -0.615 0.000 1.105) 1.265 0.970 ( 4.869 0.000 9.061) 10.286 1.026 ( 4.947 0.000 1.140) 5.077 1.101 ( -1.525 0.000 -5.910) 6.103 1.120 ( 4.030 0.000 5.901) 7.146 1.209 ( 2.333 0.000 -1.340) 2.690 1.274 ( -6.567 0.000 5.525) 8.583 1.335 ( -0.736 0.000 -3.935) 4.003 1.423 ( -2.933 0.000 -4.189) 5.114 1.510 ( -3.118 0.000 3.262) 4.512 1.633 ( -2.850 0.000 -3.210) 4.293 1.662 ( -8.335 0.000 -2.223) 8.627 1.756 ( 4.069 0.000 3.207) 5.181 1.764 ( 2.011 0.000 3.319) 3.881 1.826 ( 4.442 0.000 -0.630) 4.487 1.907 ( -5.424 0.000 2.029) 5.791 2.059 ( 3.889 0.000 3.915) 5.519 2.144 ( -3.647 0.000 0.985) 3.778 2.190 ( 2.536 0.000 -0.457) 2.577 2.209 ( 2.959 0.000 -4.242) 5.173 2.271 ( 2.227 0.000 -0.051) 2.228 2.298 ( -0.859 0.000 -2.603) 2.741 2.412 ( 4.306 0.000 3.546) 5.578 2.430 ( -1.442 0.000 -1.033) 1.774 2.540 ( 2.512 0.000 -1.193) 2.781 2.618 ( -2.594 0.000 4.430) 5.133 2.621 ( -0.256 0.000 -1.295) 1.320 2.707 ( 4.117 0.000 0.129) 4.120 2.857 ( -0.397 0.000 -0.425) 0.581 2.992 ( -4.400 0.000 6.038) 7.471 3.137 ( -1.289 0.000 1.587) 2.044 3.256 ( 5.199 0.000 0.218) 5.204 3.268 ( 0.155 0.000 -2.152) 2.158 3.295 ( 0.697 0.000 2.413) 2.512 3.426 ( 0.297 0.000 -3.493) 3.505 3.640 ( 0.878 0.000 -7.526) 7.577 3.712 ( 0.909 0.000 -2.695) 2.844 3.941 ( -0.024 0.000 2.595) 2.595 3.995 ( -3.818 0.000 -2.966) 4.835 4.087 ( 3.341 0.000 0.309) 3.356 4.198 ( -2.987 0.000 -2.755) 4.064 4.299 ( -1.397 0.000 -0.658) 1.544 4.309 ( -1.009 0.000 -2.346) 2.554 4.409 ( -2.613 0.000 2.534) 3.639 4.601 ( -7.914 0.000 -1.095) 7.990 4.662 ( -7.952 0.000 1.428) 8.079 4.681 ( -4.698 0.000 7.774) 9.083 5.111 ( 1.229 0.000 0.579) 1.358 5.114 ( 2.598 0.000 -1.223) 2.871 5.480 ( 0.233 0.000 3.325) 3.333 5.498 ( 6.619 0.000 0.887) 6.678 5.566 ( 8.389 0.000 -0.184) 8.391 5.748 ( 0.307 0.000 3.096) 3.111 5.884 ( -7.029 0.000 -9.483) 11.804 6.021 ( -5.030 0.000 3.219) 5.972 6.342 ( 8.559 0.000 0.679) 8.586 6.810 ( -2.815 0.000 -4.520) 5.325 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -0.091 0.000 0.606) 0.613 0.760 ( -1.326 0.000 2.149) 2.525 0.773 ( 7.791 0.000 0.730) 7.825 0.790 ( 6.991 0.000 -2.732) 7.506 0.992 ( -1.575 0.000 -0.275) 1.599 1.004 ( -4.300 0.000 1.911) 4.706 1.116 ( -1.647 0.000 -2.430) 2.935 1.122 ( 2.605 0.000 -3.335) 4.232 1.269 ( 1.570 0.000 -1.540) 2.199 1.288 ( 0.196 0.000 -3.465) 3.471 1.329 ( -2.569 0.000 1.816) 3.146 1.416 ( 3.824 0.000 10.430) 11.109 1.512 ( -1.940 0.000 -3.815) 4.280 1.559 ( -4.607 0.000 5.400) 7.098 1.585 ( 5.747 0.000 2.493) 6.264 1.786 ( -5.666 0.000 -1.764) 5.935 1.862 ( -1.154 0.000 7.073) 7.167 1.874 ( 2.235 0.000 -3.731) 4.350 1.898 ( 4.052 0.000 6.899) 8.000 2.082 ( 0.637 0.000 -6.546) 6.577 2.138 ( 2.087 0.000 0.021) 2.087 2.210 ( 1.580 0.000 -0.742) 1.746 2.237 ( -5.500 0.000 -3.074) 6.301 2.259 ( 3.559 0.000 1.102) 3.726 2.275 ( 0.083 0.000 0.810) 0.814 2.400 ( 1.515 0.000 0.497) 1.594 2.522 ( 0.287 0.000 3.924) 3.935 2.530 ( 0.821 0.000 -4.109) 4.191 2.614 ( 2.611 0.000 -1.114) 2.838 2.657 ( 0.145 0.000 2.805) 2.809 2.747 ( 0.554 0.000 -0.357) 0.659 2.836 ( -0.803 0.000 -0.445) 0.918 2.970 ( -3.802 0.000 2.671) 4.647 3.132 ( -0.894 0.000 1.324) 1.597 3.281 ( 1.864 0.000 0.957) 2.095 3.321 ( 1.307 0.000 0.516) 1.405 3.323 ( -0.029 0.000 0.790) 0.790 3.423 ( 2.980 0.000 -2.028) 3.604 3.560 ( -0.669 0.000 -5.714) 5.753 3.696 ( 0.708 0.000 -2.590) 2.685 3.901 ( -2.700 0.000 -2.540) 3.707 3.956 ( -0.687 0.000 1.321) 1.489 4.130 ( -1.524 0.000 -1.149) 1.908 4.140 ( 2.008 0.000 0.404) 2.049 4.266 ( -1.219 0.000 -0.533) 1.331 4.278 ( 0.019 0.000 -1.435) 1.435 4.411 ( -0.626 0.000 1.681) 1.794 4.476 ( -5.301 0.000 0.501) 5.325 4.563 ( -4.772 0.000 1.255) 4.934 4.706 ( -0.887 0.000 4.126) 4.221 5.131 ( 0.598 0.000 0.188) 0.626 5.144 ( 1.648 0.000 -0.320) 1.679 5.509 ( 0.445 0.000 0.896) 1.001 5.587 ( 2.560 0.000 -0.211) 2.568 5.620 ( -6.270 0.000 -3.211) 7.045 5.724 ( 4.425 0.000 -3.400) 5.580 5.767 ( 0.149 0.000 0.439) 0.463 5.983 ( -2.603 0.000 2.613) 3.688 6.496 ( 5.598 0.000 2.217) 6.021 6.716 ( -2.742 0.000 -2.502) 3.712 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.000 0.000 0.000) 0.000 0.761 ( 0.000 0.000 0.000) 0.000 0.827 ( -0.000 0.000 0.000) 0.000 0.867 ( 0.000 0.000 0.000) 0.000 0.961 ( 0.000 0.000 -0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 1.053 ( 0.000 0.000 -0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.278 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.436 ( 0.000 0.000 0.000) 0.000 1.531 ( 0.000 0.000 -0.000) 0.000 1.538 ( -0.000 0.000 0.000) 0.000 1.730 ( -0.000 0.000 -0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.819 ( -0.000 0.000 -0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 -0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 -0.000) 0.000 2.152 ( -0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.302 ( -0.000 0.000 -0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 -0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 -0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 -0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 -0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( 0.000 13.361 0.000) 13.361 0.315 ( 0.000 16.222 0.000) 16.222 0.573 ( 0.000 27.686 0.000) 27.686 0.680 ( 0.000 3.645 0.000) 3.645 0.704 ( 0.000 13.952 0.000) 13.952 0.906 ( 0.000 -3.817 0.000) 3.817 1.035 ( 0.000 1.713 0.000) 1.713 1.264 ( 0.000 -3.508 0.000) 3.508 1.295 ( 0.000 -0.805 0.000) 0.805 1.307 ( 0.000 -9.598 0.000) 9.598 1.414 ( 0.000 3.075 0.000) 3.075 1.503 ( 0.000 -3.834 0.000) 3.834 1.563 ( 0.000 -0.783 0.000) 0.783 1.610 ( 0.000 -0.659 0.000) 0.659 1.701 ( 0.000 -5.739 0.000) 5.739 1.715 ( 0.000 -3.345 0.000) 3.345 1.770 ( 0.000 -0.281 0.000) 0.281 1.861 ( 0.000 4.018 0.000) 4.018 1.926 ( 0.000 -1.361 0.000) 1.361 2.042 ( 0.000 -0.578 0.000) 0.578 2.116 ( 0.000 -0.701 0.000) 0.701 2.150 ( 0.000 1.039 0.000) 1.039 2.195 ( 0.000 8.233 0.000) 8.233 2.266 ( 0.000 1.739 0.000) 1.739 2.311 ( 0.000 6.561 0.000) 6.561 2.332 ( 0.000 -2.118 0.000) 2.118 2.359 ( 0.000 0.910 0.000) 0.910 2.556 ( 0.000 2.101 0.000) 2.101 2.558 ( 0.000 -1.504 0.000) 1.504 2.678 ( 0.000 -2.165 0.000) 2.165 2.689 ( 0.000 6.596 0.000) 6.596 2.806 ( 0.000 0.518 0.000) 0.518 2.854 ( 0.000 0.924 0.000) 0.924 3.135 ( 0.000 0.601 0.000) 0.601 3.173 ( 0.000 -2.265 0.000) 2.265 3.233 ( 0.000 -2.955 0.000) 2.955 3.239 ( 0.000 0.038 0.000) 0.038 3.376 ( 0.000 0.493 0.000) 0.493 3.682 ( 0.000 0.242 0.000) 0.242 3.729 ( 0.000 -0.830 0.000) 0.830 3.880 ( 0.000 0.354 0.000) 0.354 3.987 ( 0.000 0.205 0.000) 0.205 4.091 ( 0.000 -2.217 0.000) 2.217 4.252 ( 0.000 -0.954 0.000) 0.954 4.326 ( 0.000 -0.519 0.000) 0.519 4.333 ( 0.000 -3.161 0.000) 3.161 4.494 ( 0.000 -2.804 0.000) 2.804 4.591 ( 0.000 -0.519 0.000) 0.519 4.760 ( 0.000 -11.833 0.000) 11.833 4.815 ( 0.000 -10.556 0.000) 10.556 5.061 ( 0.000 2.113 0.000) 2.113 5.114 ( 0.000 0.755 0.000) 0.755 5.348 ( 0.000 9.456 0.000) 9.456 5.442 ( 0.000 8.589 0.000) 8.589 5.490 ( 0.000 5.477 0.000) 5.477 5.733 ( 0.000 -0.446 0.000) 0.446 5.970 ( 0.000 -3.139 0.000) 3.139 6.183 ( 0.000 -4.842 0.000) 4.842 6.382 ( 0.000 4.601 0.000) 4.601 6.962 ( 0.000 -2.872 0.000) 2.872 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 5.600 10.412 5.792) 13.165 0.451 ( 7.278 7.139 11.065) 15.045 0.718 ( 2.720 7.498 4.136) 8.984 0.739 ( 1.126 10.565 1.474) 10.727 0.761 ( 7.704 8.671 7.208) 13.657 0.961 ( 1.568 -1.391 5.104) 5.518 0.996 ( 1.949 3.832 -1.732) 4.634 1.226 ( -2.137 -2.237 -4.093) 5.130 1.295 ( -3.412 -1.603 -0.659) 3.827 1.336 ( 0.647 -4.164 -1.385) 4.436 1.363 ( -1.819 1.306 -2.372) 3.262 1.465 ( -1.494 -0.863 -0.351) 1.761 1.512 ( -2.268 -0.847 3.967) 4.647 1.598 ( -2.999 -0.127 2.389) 3.837 1.632 ( 1.535 -6.847 -3.429) 7.810 1.766 ( 3.189 -3.463 0.865) 4.787 1.818 ( -0.225 3.113 -4.607) 5.564 1.854 ( -3.430 -3.358 -0.185) 4.804 1.896 ( -1.838 -1.512 1.768) 2.965 1.994 ( -3.437 5.930 -2.327) 7.238 2.124 ( -2.120 -3.129 2.045) 4.297 2.161 ( 1.313 -0.371 4.206) 4.422 2.200 ( 3.195 2.091 -0.465) 3.846 2.295 ( 0.974 3.962 1.566) 4.370 2.304 ( -2.843 -1.615 1.815) 3.740 2.381 ( 3.226 1.560 -1.411) 3.851 2.433 ( 2.139 2.964 0.818) 3.746 2.512 ( 0.866 2.798 -0.511) 2.973 2.567 ( 0.344 -3.878 -1.645) 4.226 2.663 ( -4.562 -0.675 0.518) 4.641 2.696 ( 1.707 4.367 0.225) 4.694 2.857 ( 1.688 -0.177 5.407) 5.667 2.930 ( -0.469 -2.317 5.644) 6.119 3.155 ( -0.414 -0.021 -0.293) 0.507 3.172 ( 3.044 0.551 0.253) 3.104 3.219 ( 2.058 -0.814 0.372) 2.244 3.314 ( -1.094 -2.467 0.139) 2.702 3.399 ( 3.865 -3.918 -1.927) 5.831 3.675 ( 1.447 -0.715 -3.260) 3.638 3.720 ( 1.325 -0.667 -3.739) 4.022 3.894 ( 0.382 -0.410 1.541) 1.640 4.003 ( 1.349 -0.010 1.483) 2.005 4.066 ( -1.486 -1.885 -1.420) 2.789 4.265 ( -0.287 -0.748 -1.473) 1.677 4.308 ( -1.351 -3.685 -0.908) 4.029 4.319 ( -1.176 -1.892 1.058) 2.466 4.435 ( -3.392 -1.098 -0.886) 3.674 4.631 ( -1.801 -1.220 6.127) 6.502 4.729 ( -3.075 -7.401 -0.168) 8.016 4.756 ( -5.536 -4.335 -1.102) 7.117 4.985 ( -0.980 1.236 0.757) 1.750 5.266 ( 6.817 -4.065 0.403) 7.948 5.317 ( 0.119 10.689 -1.189) 10.756 5.468 ( 0.144 5.054 3.207) 5.987 5.529 ( 3.935 5.682 0.341) 6.920 5.749 ( 0.810 2.524 2.038) 3.344 5.990 ( -1.798 -3.523 0.720) 4.020 6.143 ( 1.576 -1.462 -5.203) 5.630 6.268 ( -4.270 6.544 -2.737) 8.279 6.875 ( -3.203 -2.594 -4.564) 6.149 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 8.319 4.200 4.957) 10.555 0.635 ( 1.522 4.413 3.939) 6.108 0.761 ( -0.887 2.671 3.743) 4.683 0.802 ( 6.037 8.154 -1.121) 10.208 0.925 ( 4.423 -2.398 4.529) 6.770 1.026 ( -0.653 -1.605 1.294) 2.163 1.117 ( 2.818 1.479 -3.219) 4.527 1.166 ( 3.807 4.564 1.978) 6.264 1.204 ( -0.232 0.585 0.468) 0.784 1.268 ( -4.474 -2.381 -1.590) 5.312 1.367 ( 1.596 2.818 0.643) 3.301 1.436 ( -0.131 0.218 -2.975) 2.985 1.509 ( -2.638 -0.313 1.353) 2.981 1.560 ( -3.562 -1.848 -0.128) 4.015 1.679 ( -7.553 -0.468 -4.282) 8.695 1.703 ( 3.744 -2.314 6.494) 7.845 1.771 ( 0.109 -2.940 0.664) 3.016 1.843 ( 1.587 0.163 -0.612) 1.709 1.872 ( -2.856 -2.010 2.551) 4.325 2.027 ( 2.940 -2.694 2.932) 4.949 2.117 ( -1.800 -1.682 3.220) 4.054 2.134 ( -1.253 0.025 -2.837) 3.102 2.245 ( -0.543 -1.216 -2.210) 2.580 2.274 ( 0.505 -0.306 0.598) 0.841 2.364 ( 3.182 3.260 -0.392) 4.572 2.413 ( -0.416 0.832 -0.626) 1.121 2.442 ( 1.330 -2.217 -1.039) 2.786 2.489 ( 0.184 0.445 0.164) 0.508 2.563 ( -2.593 -3.864 0.200) 4.658 2.658 ( 1.383 2.987 4.251) 5.377 2.736 ( 2.025 2.579 -0.329) 3.295 2.885 ( -1.725 0.945 -0.377) 2.003 2.969 ( -1.982 -1.980 6.180) 6.785 3.135 ( -2.422 -0.913 0.972) 2.765 3.229 ( 1.991 -2.025 -1.112) 3.050 3.265 ( 2.783 -0.247 0.283) 2.808 3.302 ( 0.433 0.562 1.463) 1.626 3.414 ( 1.920 -1.411 -2.767) 3.651 3.643 ( 1.212 0.392 -6.756) 6.875 3.699 ( 1.309 -1.197 -3.264) 3.715 3.917 ( 0.377 -1.137 0.667) 1.371 4.017 ( -1.147 1.169 -0.666) 1.768 4.064 ( 2.067 -1.205 0.678) 2.487 4.185 ( -2.825 -2.132 -3.137) 4.729 4.272 ( -1.161 -0.778 -1.358) 1.949 4.343 ( -0.043 -1.274 2.835) 3.108 4.382 ( -1.321 0.436 -1.447) 2.007 4.600 ( -5.889 0.271 -0.310) 5.904 4.659 ( -4.684 0.371 0.838) 4.773 4.693 ( -2.358 0.899 4.521) 5.178 5.022 ( 3.289 -3.160 0.125) 4.563 5.235 ( -3.128 6.417 -0.358) 7.148 5.451 ( 8.274 -4.402 -0.299) 9.377 5.513 ( 1.144 1.993 3.443) 4.140 5.605 ( 3.642 4.265 -0.189) 5.612 5.789 ( 0.042 3.106 1.894) 3.638 5.862 ( -4.794 -1.886 -7.144) 8.808 6.098 ( -7.521 7.025 3.220) 10.783 6.298 ( 8.292 -4.258 0.144) 9.322 6.764 ( -3.913 -4.446 -3.741) 7.005 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -1.322 1.918 -0.192) 2.338 0.755 ( 4.572 1.799 2.196) 5.382 0.788 ( 0.309 2.919 3.645) 4.680 0.905 ( 6.640 6.774 -5.261) 10.847 0.973 ( -1.513 -1.330 -0.786) 2.163 1.024 ( -0.798 0.926 4.745) 4.900 1.115 ( 0.015 2.160 -3.310) 3.953 1.148 ( -0.110 1.731 -2.133) 2.749 1.241 ( 2.048 -1.730 0.999) 2.861 1.296 ( -0.035 -0.962 -0.640) 1.156 1.368 ( -1.196 3.651 0.562) 3.883 1.422 ( 1.474 0.898 3.273) 3.700 1.471 ( -1.914 -3.169 -2.592) 4.519 1.547 ( -2.146 -0.612 4.245) 4.796 1.585 ( 3.289 -0.476 1.555) 3.669 1.736 ( -4.922 -4.925 0.837) 7.013 1.839 ( 2.670 -3.070 0.431) 4.091 1.853 ( -0.790 -2.200 -4.283) 4.880 1.892 ( 2.881 0.033 8.087) 8.585 2.028 ( -4.038 -4.345 -1.589) 6.140 2.102 ( -0.016 -2.522 2.866) 3.818 2.199 ( 3.656 -1.088 1.059) 3.959 2.244 ( 0.988 -1.687 -0.430) 2.002 2.253 ( 2.590 1.325 -3.480) 4.536 2.318 ( -3.993 0.932 -0.245) 4.107 2.390 ( 0.555 -2.804 -2.149) 3.576 2.453 ( 0.226 -4.916 -1.235) 5.074 2.509 ( -2.792 -2.585 0.107) 3.807 2.581 ( 3.639 3.546 3.179) 5.993 2.703 ( -1.905 -1.315 2.758) 3.601 2.744 ( 0.884 1.663 -2.864) 3.428 2.856 ( -0.382 1.332 1.593) 2.112 2.980 ( -2.786 0.790 2.425) 3.777 3.100 ( -1.461 -3.391 0.374) 3.711 3.263 ( 1.845 -1.740 0.881) 2.684 3.302 ( 1.168 -0.852 0.475) 1.522 3.332 ( 0.291 0.521 1.403) 1.525 3.422 ( 1.902 -0.700 -2.112) 2.927 3.578 ( -0.026 1.728 -5.223) 5.502 3.690 ( 1.046 -0.558 -2.189) 2.489 3.920 ( 0.896 1.471 -1.855) 2.531 3.982 ( -2.587 2.947 0.053) 3.922 4.070 ( -0.408 -3.782 -0.568) 3.847 4.169 ( 2.120 1.314 0.152) 2.499 4.247 ( 0.088 -0.671 -1.014) 1.220 4.326 ( -1.437 3.064 -2.118) 3.992 4.385 ( 0.065 -2.321 2.094) 3.127 4.511 ( -3.355 2.673 0.291) 4.299 4.594 ( -3.605 3.902 0.868) 5.383 4.716 ( -0.495 1.652 2.932) 3.402 5.082 ( 3.131 -3.058 0.171) 4.380 5.183 ( -2.482 2.657 -0.279) 3.647 5.527 ( 1.728 0.801 -0.086) 1.906 5.589 ( 0.462 -4.861 0.755) 4.941 5.644 ( 2.012 5.494 0.362) 5.862 5.704 ( -0.336 -0.867 -5.528) 5.606 5.813 ( -0.882 4.444 0.179) 4.534 6.014 ( -4.883 3.443 2.720) 6.565 6.446 ( 5.449 -5.037 2.112) 7.715 6.664 ( -2.998 -5.241 -2.348) 6.478 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.000 0.355 -0.000) 0.355 0.808 ( -0.000 4.236 0.000) 4.236 0.853 ( 0.000 4.062 0.000) 4.062 0.875 ( -0.000 1.079 -0.000) 1.079 0.961 ( 0.000 -1.692 -0.000) 1.692 1.051 ( 0.000 1.208 -0.000) 1.208 1.072 ( 0.000 7.778 0.000) 7.778 1.158 ( 0.000 2.813 -0.000) 2.813 1.251 ( 0.000 -0.673 0.000) 0.673 1.282 ( -0.000 0.545 0.000) 0.545 1.394 ( -0.000 2.576 -0.000) 2.576 1.396 ( 0.000 -3.564 0.000) 3.564 1.505 ( 0.000 -3.072 0.000) 3.072 1.524 ( -0.000 -0.024 0.000) 0.024 1.701 ( 0.000 -3.148 -0.000) 3.148 1.711 ( -0.000 -5.295 0.000) 5.295 1.806 ( 0.000 -0.362 0.000) 0.362 1.826 ( -0.000 -3.088 0.000) 3.088 1.899 ( -0.000 -7.873 0.000) 7.873 2.047 ( -0.000 1.516 -0.000) 1.516 2.117 ( 0.000 -4.489 0.000) 4.489 2.180 ( -0.000 2.062 0.000) 2.062 2.265 ( 0.000 -2.410 -0.000) 2.410 2.289 ( -0.000 6.784 0.000) 6.784 2.330 ( -0.000 -0.163 -0.000) 0.163 2.347 ( 0.000 -10.370 0.000) 10.370 2.437 ( -0.000 -5.990 0.000) 5.990 2.483 ( 0.000 -0.799 0.000) 0.799 2.636 ( 0.000 3.422 0.000) 3.422 2.696 ( 0.000 -3.688 -0.000) 3.688 2.721 ( 0.000 -0.574 0.000) 0.574 2.886 ( 0.000 4.616 0.000) 4.616 2.952 ( 0.000 0.863 0.000) 0.863 3.093 ( -0.000 -4.272 0.000) 4.272 3.282 ( 0.000 -2.449 0.000) 2.449 3.325 ( 0.000 1.372 0.000) 1.372 3.345 ( 0.000 -0.372 0.000) 0.372 3.421 ( 0.000 -2.376 0.000) 2.376 3.544 ( 0.000 2.670 0.000) 2.670 3.685 ( 0.000 -0.080 0.000) 0.080 3.913 ( -0.000 5.243 -0.000) 5.243 3.955 ( 0.000 0.070 0.000) 0.070 4.066 ( 0.000 -3.049 0.000) 3.049 4.197 ( 0.000 2.253 0.000) 2.253 4.249 ( -0.000 -0.466 -0.000) 0.466 4.289 ( 0.000 1.760 0.000) 1.760 4.399 ( 0.000 -1.087 0.000) 1.087 4.486 ( 0.000 4.046 0.000) 4.046 4.564 ( 0.000 4.507 0.000) 4.507 4.730 ( 0.000 1.297 0.000) 1.297 5.132 ( 0.000 -0.074 0.000) 0.074 5.139 ( -0.000 -1.826 -0.000) 1.826 5.534 ( 0.000 2.778 -0.000) 2.778 5.573 ( -0.000 1.051 0.000) 1.051 5.645 ( 0.000 1.727 0.000) 1.727 5.726 ( 0.000 -1.503 0.000) 1.503 5.790 ( 0.000 4.094 0.000) 4.094 5.990 ( 0.000 1.027 0.000) 1.027 6.510 ( 0.000 -5.108 0.000) 5.108 6.620 ( 0.000 -5.561 0.000) 5.561 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 8.541 0.000) 8.541 0.596 ( 0.000 13.725 0.000) 13.725 0.697 ( 0.000 -1.608 0.000) 1.608 0.806 ( 0.000 -1.185 0.000) 1.185 0.905 ( 0.000 4.675 0.000) 4.675 1.088 ( 0.000 19.047 0.000) 19.047 1.091 ( 0.000 -0.589 0.000) 0.589 1.181 ( 0.000 -5.224 0.000) 5.224 1.192 ( 0.000 5.660 0.000) 5.660 1.287 ( 0.000 0.618 0.000) 0.618 1.415 ( 0.000 -2.954 0.000) 2.954 1.442 ( 0.000 -2.973 0.000) 2.973 1.524 ( 0.000 -2.396 0.000) 2.396 1.567 ( 0.000 -4.150 0.000) 4.150 1.648 ( 0.000 1.208 0.000) 1.208 1.714 ( 0.000 2.298 0.000) 2.298 1.757 ( 0.000 -0.178 0.000) 0.178 1.871 ( 0.000 -2.783 0.000) 2.783 1.874 ( 0.000 -2.677 0.000) 2.677 2.022 ( 0.000 -3.404 0.000) 3.404 2.099 ( 0.000 -1.642 0.000) 1.642 2.175 ( 0.000 3.894 0.000) 3.894 2.322 ( 0.000 4.957 0.000) 4.957 2.346 ( 0.000 2.765 0.000) 2.765 2.358 ( 0.000 6.011 0.000) 6.011 2.391 ( 0.000 3.938 0.000) 3.938 2.464 ( 0.000 5.430 0.000) 5.430 2.494 ( 0.000 -4.530 0.000) 4.530 2.535 ( 0.000 -0.391 0.000) 0.391 2.701 ( 0.000 2.334 0.000) 2.334 2.795 ( 0.000 -1.635 0.000) 1.635 2.810 ( 0.000 4.507 0.000) 4.507 2.870 ( 0.000 1.784 0.000) 1.784 3.099 ( 0.000 -5.164 0.000) 5.164 3.157 ( 0.000 1.808 0.000) 1.808 3.192 ( 0.000 -1.101 0.000) 1.101 3.242 ( 0.000 0.310 0.000) 0.310 3.366 ( 0.000 -1.814 0.000) 1.814 3.690 ( 0.000 0.555 0.000) 0.555 3.713 ( 0.000 -0.702 0.000) 0.702 3.884 ( 0.000 0.066 0.000) 0.066 3.999 ( 0.000 1.138 0.000) 1.138 4.031 ( 0.000 -4.061 0.000) 4.061 4.194 ( 0.000 -5.649 0.000) 5.649 4.277 ( 0.000 -0.912 0.000) 0.912 4.316 ( 0.000 -0.700 0.000) 0.700 4.476 ( 0.000 -0.351 0.000) 0.351 4.566 ( 0.000 -7.571 0.000) 7.571 4.574 ( 0.000 -1.253 0.000) 1.253 4.621 ( 0.000 -9.516 0.000) 9.516 5.086 ( 0.000 0.970 0.000) 0.970 5.118 ( 0.000 -0.153 0.000) 0.153 5.513 ( 0.000 7.512 0.000) 7.512 5.595 ( 0.000 6.736 0.000) 6.736 5.611 ( 0.000 6.805 0.000) 6.805 5.732 ( 0.000 0.906 0.000) 0.906 5.889 ( 0.000 -5.197 0.000) 5.197 6.061 ( 0.000 -7.752 0.000) 7.752 6.497 ( 0.000 7.337 0.000) 7.337 6.886 ( 0.000 -5.126 0.000) 5.126 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 3.181 6.379 9.524) 11.896 0.586 ( 0.643 9.022 1.508) 9.170 0.769 ( 2.421 -2.136 5.110) 6.044 0.843 ( 0.080 -0.862 -0.243) 0.899 0.865 ( -1.182 5.242 3.526) 6.427 1.047 ( 0.348 5.334 -3.639) 6.466 1.165 ( 3.475 3.044 -3.066) 5.545 1.200 ( 0.152 4.459 3.503) 5.673 1.222 ( 2.400 2.152 0.528) 3.267 1.286 ( 1.629 -1.774 -2.183) 3.251 1.358 ( -4.320 -0.101 -5.668) 7.127 1.481 ( 0.088 0.661 -0.653) 0.934 1.493 ( -0.372 -0.080 5.825) 5.837 1.564 ( 0.590 -1.128 2.123) 2.476 1.593 ( -1.655 -0.566 -0.663) 1.870 1.700 ( 2.144 -2.611 2.174) 4.018 1.777 ( -2.636 -2.809 -4.277) 5.756 1.857 ( 0.505 -3.899 -0.830) 4.019 1.879 ( -3.596 3.067 2.176) 5.203 2.048 ( -2.848 -1.896 2.403) 4.181 2.078 ( -2.522 -0.815 -2.866) 3.904 2.167 ( -1.785 2.545 2.091) 3.746 2.242 ( 1.664 2.420 3.184) 4.332 2.314 ( -2.178 -0.220 -1.564) 2.691 2.345 ( -4.669 5.178 2.471) 7.397 2.445 ( -0.573 1.818 -0.097) 1.908 2.469 ( -2.172 -3.821 -1.553) 4.662 2.516 ( 1.811 -0.488 0.769) 2.027 2.536 ( 1.176 5.106 0.019) 5.239 2.689 ( -1.503 2.867 0.583) 3.290 2.758 ( 0.729 0.965 1.721) 2.104 2.851 ( -1.016 -1.835 5.571) 5.953 2.904 ( 0.827 0.729 0.251) 1.131 3.108 ( 1.152 -4.424 -1.496) 4.810 3.182 ( 2.665 1.077 -0.972) 3.035 3.217 ( 2.018 -0.237 1.179) 2.349 3.268 ( 0.787 -1.316 2.050) 2.560 3.356 ( 0.643 -2.099 -1.359) 2.582 3.670 ( 0.788 0.346 -3.065) 3.184 3.710 ( 2.046 -0.407 -4.654) 5.100 3.891 ( 0.491 0.129 0.573) 0.765 4.011 ( 0.122 -1.081 0.277) 1.123 4.033 ( 1.590 0.132 -0.122) 1.600 4.185 ( -2.587 -6.584 0.179) 7.076 4.247 ( -0.075 -0.975 -0.028) 0.979 4.304 ( -1.167 -0.685 -1.728) 2.195 4.446 ( -0.871 0.904 -0.608) 1.395 4.599 ( 2.293 -4.037 1.244) 4.806 4.620 ( 3.660 -1.776 1.602) 4.372 4.662 ( 1.371 -5.166 0.398) 5.359 5.025 ( -3.689 2.450 0.652) 4.476 5.193 ( 4.973 -3.570 0.246) 6.127 5.491 ( -2.588 7.573 -0.591) 8.025 5.562 ( -2.620 4.844 1.688) 5.760 5.638 ( 2.246 5.292 -0.618) 5.782 5.775 ( 3.241 1.158 1.128) 3.622 5.909 ( -0.869 -4.871 0.084) 4.949 6.041 ( 3.574 -7.281 -3.969) 9.030 6.427 ( -6.640 8.809 -0.455) 11.041 6.808 ( -6.047 -4.506 -1.903) 7.778 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 2.857 3.369 4.430) 6.256 0.708 ( 1.410 1.994 4.612) 5.218 0.830 ( -0.100 1.877 3.563) 4.028 0.859 ( -0.032 2.679 5.935) 6.512 0.926 ( 0.068 -0.770 3.621) 3.702 1.053 ( 3.673 4.971 -3.037) 6.887 1.121 ( 3.334 -0.492 -6.284) 7.131 1.198 ( -1.949 -0.091 -3.113) 3.674 1.250 ( -0.875 0.033 -0.149) 0.889 1.273 ( 1.592 5.170 0.633) 5.446 1.318 ( 4.475 -3.387 -1.508) 5.812 1.477 ( -0.923 1.731 -1.651) 2.564 1.540 ( -0.930 3.290 2.112) 4.019 1.568 ( -1.270 0.427 0.250) 1.364 1.654 ( -6.568 0.709 1.462) 6.766 1.687 ( 0.328 -2.372 1.143) 2.654 1.720 ( -0.604 -0.080 3.717) 3.767 1.811 ( -0.669 -1.225 -1.586) 2.113 1.852 ( -1.866 -0.850 0.684) 2.162 1.967 ( 3.081 -3.840 -0.640) 4.965 2.067 ( -3.375 -3.970 4.038) 6.592 2.189 ( -9.513 5.266 -1.131) 10.932 2.221 ( -1.131 -2.135 1.393) 2.789 2.245 ( 1.113 -2.444 -1.718) 3.188 2.319 ( -1.731 -5.010 -2.146) 5.718 2.387 ( -3.250 -1.103 2.732) 4.387 2.443 ( -1.664 1.196 0.232) 2.062 2.516 ( -0.251 0.005 2.053) 2.068 2.577 ( 2.326 4.624 0.655) 5.218 2.702 ( -2.147 -0.066 1.435) 2.583 2.786 ( 1.482 2.531 1.566) 3.325 2.855 ( -2.966 -2.571 2.043) 4.425 2.944 ( 1.376 -0.444 2.485) 2.875 3.087 ( -1.767 -3.802 -1.617) 4.494 3.209 ( 1.551 0.078 -0.242) 1.572 3.262 ( 1.131 -0.345 1.022) 1.563 3.299 ( 0.712 -0.927 2.164) 2.460 3.377 ( 2.789 -2.489 -1.673) 4.095 3.655 ( 1.819 0.850 -5.162) 5.539 3.680 ( 1.788 -0.545 -4.534) 4.904 3.914 ( 1.615 0.642 0.045) 1.739 4.017 ( 0.487 -1.634 0.038) 1.705 4.071 ( 1.158 2.015 -0.392) 2.357 4.133 ( -0.278 -2.189 -0.635) 2.296 4.254 ( -0.905 -1.264 -0.986) 1.841 4.288 ( 0.985 -2.568 2.395) 3.647 4.434 ( 0.666 3.639 -2.079) 4.244 4.621 ( -2.213 1.481 -2.239) 3.479 4.666 ( 2.722 0.429 -0.327) 2.775 4.718 ( 3.754 1.447 2.139) 4.557 4.992 ( -0.511 0.057 0.478) 0.703 5.283 ( 3.942 -4.601 0.488) 6.078 5.413 ( -4.454 4.135 -0.290) 6.085 5.553 ( -1.233 1.899 1.830) 2.911 5.681 ( 3.232 3.212 -0.121) 4.558 5.804 ( -2.841 -2.510 -6.271) 7.328 5.848 ( 1.252 1.365 1.712) 2.522 6.140 ( 2.947 -6.193 4.909) 8.435 6.299 ( -4.862 7.667 -1.081) 9.143 6.669 ( -6.368 -5.253 -2.352) 8.584 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -2.348 2.748 -0.952) 3.738 0.791 ( 1.796 0.731 5.718) 6.038 0.869 ( 0.067 3.198 2.861) 4.291 0.934 ( 0.197 1.600 -0.541) 1.700 1.001 ( 3.501 -0.671 2.406) 4.300 1.049 ( 4.611 3.885 -0.850) 6.089 1.181 ( 4.680 0.033 -1.677) 4.972 1.197 ( -1.308 2.501 0.856) 2.949 1.207 ( -1.305 3.848 -0.969) 4.177 1.285 ( 0.763 -0.363 2.039) 2.207 1.391 ( 2.187 -1.273 -3.292) 4.152 1.423 ( -4.523 0.374 -2.411) 5.139 1.484 ( -2.263 2.401 3.896) 5.106 1.547 ( 2.676 0.004 0.929) 2.832 1.563 ( -1.347 -0.370 -2.041) 2.473 1.631 ( -5.705 -4.988 0.027) 7.578 1.780 ( 2.052 -3.007 -0.683) 3.704 1.793 ( 0.522 -3.545 -7.951) 8.721 1.881 ( -1.473 -1.100 6.310) 6.573 1.990 ( -5.863 -1.184 1.132) 6.087 2.064 ( -2.893 -0.683 5.957) 6.657 2.105 ( 3.505 -7.236 2.205) 8.337 2.170 ( 0.122 -5.636 -1.967) 5.970 2.243 ( -0.718 -1.948 -2.661) 3.375 2.276 ( -1.330 -8.026 2.019) 8.382 2.359 ( -2.248 0.473 -3.173) 3.917 2.424 ( -0.847 5.340 3.238) 6.302 2.517 ( -0.945 0.377 -2.255) 2.474 2.632 ( -1.764 -0.159 6.299) 6.543 2.675 ( 0.028 -0.093 1.675) 1.677 2.775 ( -1.517 2.027 -4.370) 5.051 2.883 ( 2.097 1.478 3.745) 4.540 2.981 ( 0.035 -1.282 1.673) 2.108 3.022 ( -2.484 -3.597 -2.042) 4.825 3.241 ( 1.127 -0.311 0.810) 1.422 3.287 ( 1.096 -0.592 0.891) 1.531 3.339 ( 0.766 -0.133 1.478) 1.670 3.390 ( 0.834 -2.594 -1.931) 3.340 3.611 ( 0.522 1.549 -4.310) 4.610 3.678 ( 1.208 -0.717 -1.851) 2.323 3.943 ( 1.775 0.991 -0.398) 2.072 4.008 ( -1.146 -2.058 -0.897) 2.520 4.062 ( 0.485 4.155 -0.499) 4.213 4.176 ( 2.232 -0.348 0.718) 2.370 4.236 ( 0.498 -0.736 0.106) 0.895 4.349 ( 1.681 -1.394 3.170) 3.849 4.395 ( -0.938 4.691 -5.044) 6.952 4.548 ( -1.618 1.038 -2.319) 3.012 4.697 ( 0.711 6.640 -0.245) 6.682 4.793 ( 2.292 6.683 1.311) 7.186 5.022 ( 3.517 -3.418 0.156) 4.907 5.251 ( -6.741 4.769 -0.068) 8.258 5.422 ( 4.564 -10.379 0.031) 11.339 5.554 ( -1.488 -0.965 2.520) 3.082 5.670 ( -2.029 -0.392 -5.173) 5.571 5.765 ( 3.736 5.622 0.848) 6.803 5.888 ( 1.565 2.328 0.640) 2.878 6.101 ( -9.794 4.202 3.615) 11.254 6.336 ( 5.346 -5.092 0.827) 7.429 6.546 ( -4.255 -6.642 -2.246) 8.201 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 2.863 0.000) 2.863 0.886 ( 0.000 3.618 0.000) 3.618 0.896 ( 0.000 -4.338 0.000) 4.338 0.907 ( -0.000 1.871 -0.000) 1.871 0.987 ( 0.000 9.549 0.000) 9.549 1.096 ( -0.000 3.474 -0.000) 3.474 1.187 ( 0.000 1.859 0.000) 1.859 1.222 ( 0.000 2.819 -0.000) 2.819 1.251 ( -0.000 2.121 0.000) 2.121 1.298 ( 0.000 1.252 0.000) 1.252 1.345 ( -0.000 -0.842 0.000) 0.842 1.406 ( 0.000 -0.771 -0.000) 0.771 1.444 ( 0.000 -3.120 0.000) 3.120 1.549 ( 0.000 0.347 0.000) 0.347 1.591 ( 0.000 -6.783 -0.000) 6.783 1.634 ( -0.000 -3.423 0.000) 3.423 1.712 ( 0.000 -4.715 0.000) 4.715 1.805 ( -0.000 -0.500 -0.000) 0.500 1.810 ( 0.000 -2.757 0.000) 2.757 1.993 ( 0.000 -5.913 0.000) 5.913 2.094 ( 0.000 -10.161 0.000) 10.161 2.118 ( -0.000 3.189 -0.000) 3.189 2.200 ( 0.000 -2.408 0.000) 2.408 2.229 ( -0.000 -10.519 -0.000) 10.519 2.276 ( 0.000 -6.299 0.000) 6.299 2.292 ( -0.000 3.278 -0.000) 3.278 2.449 ( -0.000 6.212 0.000) 6.212 2.477 ( 0.000 -0.855 -0.000) 0.855 2.667 ( 0.000 0.862 -0.000) 0.862 2.697 ( 0.000 2.521 0.000) 2.521 2.712 ( 0.000 0.456 0.000) 0.456 2.953 ( 0.000 2.506 0.000) 2.506 2.958 ( -0.000 -2.272 -0.000) 2.272 2.993 ( 0.000 -4.070 -0.000) 4.070 3.252 ( 0.000 -0.696 0.000) 0.696 3.332 ( 0.000 -1.291 0.000) 1.291 3.333 ( -0.000 -0.404 -0.000) 0.404 3.380 ( 0.000 -1.477 0.000) 1.477 3.590 ( 0.000 2.034 -0.000) 2.034 3.677 ( 0.000 -0.874 0.000) 0.874 3.960 ( 0.000 0.425 0.000) 0.425 3.985 ( 0.000 0.527 0.000) 0.527 4.069 ( 0.000 3.926 -0.000) 3.926 4.189 ( 0.000 -1.620 0.000) 1.620 4.298 ( -0.000 1.053 -0.000) 1.053 4.299 ( 0.000 3.810 0.000) 3.810 4.397 ( 0.000 0.331 0.000) 0.331 4.517 ( 0.000 -1.111 -0.000) 1.111 4.698 ( 0.000 9.372 0.000) 9.372 4.822 ( 0.000 8.614 0.000) 8.614 5.098 ( 0.000 -2.495 0.000) 2.495 5.143 ( -0.000 1.250 -0.000) 1.250 5.487 ( 0.000 -8.166 0.000) 8.166 5.541 ( -0.000 -9.219 -0.000) 9.219 5.619 ( -0.000 5.695 0.000) 5.695 5.813 ( 0.000 7.166 -0.000) 7.166 5.933 ( 0.000 8.439 0.000) 8.439 5.994 ( -0.000 -1.679 0.000) 1.679 6.401 ( 0.000 -5.447 0.000) 5.447 6.485 ( 0.000 -8.154 0.000) 8.154 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 1.898 0.000) 1.898 0.616 ( 0.000 -4.383 0.000) 4.383 0.803 ( 0.000 6.713 0.000) 6.713 0.828 ( 0.000 1.680 0.000) 1.680 0.947 ( 0.000 3.440 0.000) 3.440 1.064 ( 0.000 -7.029 0.000) 7.029 1.095 ( 0.000 3.708 0.000) 3.708 1.193 ( 0.000 -4.479 0.000) 4.479 1.350 ( 0.000 0.389 0.000) 0.389 1.369 ( 0.000 2.246 0.000) 2.246 1.382 ( 0.000 3.989 0.000) 3.989 1.408 ( 0.000 3.523 0.000) 3.523 1.486 ( 0.000 -2.786 0.000) 2.786 1.527 ( 0.000 -0.548 0.000) 0.548 1.688 ( 0.000 2.384 0.000) 2.384 1.739 ( 0.000 -2.536 0.000) 2.536 1.796 ( 0.000 4.748 0.000) 4.748 1.822 ( 0.000 -1.255 0.000) 1.255 1.855 ( 0.000 2.042 0.000) 2.042 1.942 ( 0.000 -4.771 0.000) 4.771 2.099 ( 0.000 3.980 0.000) 3.980 2.244 ( 0.000 -4.047 0.000) 4.047 2.290 ( 0.000 -1.439 0.000) 1.439 2.345 ( 0.000 -1.999 0.000) 1.999 2.448 ( 0.000 1.487 0.000) 1.487 2.451 ( 0.000 1.467 0.000) 1.467 2.490 ( 0.000 6.978 0.000) 6.978 2.558 ( 0.000 0.792 0.000) 0.792 2.581 ( 0.000 5.240 0.000) 5.240 2.688 ( 0.000 -4.680 0.000) 4.680 2.775 ( 0.000 0.802 0.000) 0.802 2.810 ( 0.000 -2.156 0.000) 2.156 2.948 ( 0.000 4.277 0.000) 4.277 3.014 ( 0.000 -3.553 0.000) 3.553 3.191 ( 0.000 0.767 0.000) 0.767 3.193 ( 0.000 1.332 0.000) 1.332 3.255 ( 0.000 1.608 0.000) 1.608 3.311 ( 0.000 -3.701 0.000) 3.701 3.699 ( 0.000 0.354 0.000) 0.354 3.704 ( 0.000 -0.299 0.000) 0.299 3.896 ( 0.000 1.644 0.000) 1.644 3.951 ( 0.000 -4.089 0.000) 4.089 4.033 ( 0.000 2.532 0.000) 2.532 4.095 ( 0.000 -4.356 0.000) 4.356 4.279 ( 0.000 0.677 0.000) 0.677 4.297 ( 0.000 -1.173 0.000) 1.173 4.437 ( 0.000 -1.080 0.000) 1.080 4.480 ( 0.000 -5.283 0.000) 5.283 4.527 ( 0.000 0.909 0.000) 0.909 4.549 ( 0.000 -1.344 0.000) 1.344 5.101 ( 0.000 0.687 0.000) 0.687 5.112 ( 0.000 -0.457 0.000) 0.457 5.621 ( 0.000 4.237 0.000) 4.237 5.666 ( 0.000 0.359 0.000) 0.359 5.724 ( 0.000 4.994 0.000) 4.994 5.784 ( 0.000 4.817 0.000) 4.817 5.797 ( 0.000 -4.018 0.000) 4.018 5.910 ( 0.000 -8.038 0.000) 8.038 6.640 ( 0.000 7.672 0.000) 7.672 6.775 ( 0.000 -6.710 0.000) 6.710 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 2.567 1.957 9.239) 9.787 0.697 ( 1.874 -2.120 6.393) 6.991 0.714 ( -1.793 3.842 -1.171) 4.398 0.790 ( -2.016 -3.685 -3.122) 5.234 0.986 ( 0.651 6.652 3.743) 7.661 1.083 ( 0.495 -1.752 -0.182) 1.830 1.123 ( 4.639 0.251 -3.578) 5.864 1.180 ( 1.126 -3.920 -3.318) 5.258 1.302 ( -1.969 2.356 -3.175) 4.417 1.316 ( -3.085 -0.103 -3.677) 4.801 1.433 ( 0.072 4.199 3.684) 5.586 1.490 ( 3.156 2.820 6.847) 8.049 1.512 ( 1.581 -2.098 3.091) 4.057 1.552 ( -0.166 1.089 2.911) 3.113 1.623 ( -2.217 3.437 -4.309) 5.941 1.680 ( -0.725 -0.578 -1.258) 1.563 1.729 ( -1.548 -1.994 -4.077) 4.795 1.762 ( 0.245 -4.406 -1.644) 4.709 1.962 ( -1.768 5.085 6.642) 8.550 2.018 ( -0.983 -0.565 2.209) 2.483 2.080 ( -2.578 1.970 0.892) 3.365 2.181 ( -4.696 -4.727 -1.849) 6.915 2.283 ( -0.263 1.783 -1.800) 2.548 2.308 ( -1.605 0.155 -4.083) 4.389 2.354 ( -4.269 -1.035 3.224) 5.449 2.402 ( -4.780 -2.529 3.634) 6.516 2.533 ( -4.112 5.584 1.228) 7.043 2.552 ( -1.260 3.608 -0.604) 3.869 2.612 ( 0.252 2.569 1.520) 2.996 2.711 ( -3.213 -3.976 2.814) 5.836 2.750 ( 2.987 -0.137 2.355) 3.806 2.772 ( -2.548 -2.671 0.698) 3.757 2.962 ( 1.230 3.700 -0.834) 3.988 3.030 ( 1.797 -3.765 -1.869) 4.572 3.207 ( 1.205 0.951 -0.026) 1.535 3.210 ( 0.483 0.069 2.138) 2.193 3.261 ( 0.228 0.730 0.987) 1.248 3.305 ( 0.565 -3.174 -0.977) 3.369 3.685 ( 1.322 1.059 -3.382) 3.783 3.702 ( 1.894 -0.607 -4.162) 4.613 3.906 ( 1.057 1.773 0.202) 2.074 3.958 ( 0.767 -3.468 -0.184) 3.556 4.062 ( 2.492 1.894 0.571) 3.182 4.101 ( 0.496 -2.632 0.504) 2.726 4.247 ( -0.961 1.342 -1.287) 2.093 4.283 ( -1.024 -1.768 -2.121) 2.945 4.461 ( 2.712 1.623 0.267) 3.172 4.524 ( 6.171 -4.489 -0.534) 7.650 4.596 ( 4.836 -0.196 1.816) 5.170 4.608 ( 3.341 -1.060 2.089) 4.080 5.074 ( -2.248 2.862 0.381) 3.659 5.131 ( 0.994 -3.196 0.275) 3.358 5.595 ( -2.466 3.712 -0.310) 4.467 5.624 ( -3.749 1.031 0.667) 3.945 5.725 ( 0.249 4.568 -1.980) 4.984 5.800 ( 1.635 -1.026 -0.742) 2.068 5.831 ( 1.443 -0.561 0.533) 1.637 5.908 ( 3.512 -6.406 -1.995) 7.573 6.581 ( -6.314 7.642 0.267) 9.916 6.709 ( -6.419 -6.105 -0.409) 8.868 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.630 0.662 3.845) 3.952 0.721 ( 0.027 -0.642 1.355) 1.499 0.816 ( 0.860 0.263 8.027) 8.078 0.848 ( 0.175 -2.882 6.736) 7.328 1.012 ( -0.943 5.993 1.717) 6.305 1.079 ( 2.703 -1.513 -3.354) 4.566 1.138 ( 3.659 2.366 -5.055) 6.674 1.204 ( 2.896 -3.327 0.121) 4.412 1.234 ( -1.137 1.554 -1.278) 2.311 1.264 ( 1.669 -1.148 -0.199) 2.036 1.412 ( -0.333 6.969 -3.237) 7.691 1.492 ( -2.061 -0.972 -3.308) 4.017 1.557 ( -0.625 0.079 0.236) 0.672 1.571 ( -0.448 -0.709 -1.182) 1.449 1.665 ( -3.102 0.808 2.969) 4.370 1.678 ( -3.979 0.299 2.011) 4.469 1.726 ( 3.757 1.084 6.520) 7.602 1.791 ( 2.794 -4.969 4.803) 7.454 1.872 ( -6.183 5.010 -5.468) 9.655 1.927 ( -3.951 -0.058 -3.646) 5.376 2.025 ( -3.403 1.067 2.113) 4.145 2.132 ( -4.108 -7.740 2.490) 9.109 2.173 ( -4.572 -1.540 -5.521) 7.332 2.207 ( -6.268 -4.266 -2.742) 8.062 2.344 ( -4.340 7.174 0.790) 8.422 2.418 ( -4.089 0.989 3.990) 5.798 2.457 ( -1.395 2.505 9.766) 10.179 2.538 ( -1.603 -0.013 1.400) 2.129 2.604 ( -3.681 -2.343 0.373) 4.379 2.623 ( -2.393 -4.304 0.042) 4.924 2.832 ( 3.194 2.131 2.915) 4.821 2.847 ( 2.240 0.445 1.883) 2.960 2.957 ( 0.205 1.902 -1.430) 2.389 3.013 ( -0.520 -3.802 -2.565) 4.615 3.226 ( 0.970 1.452 0.714) 1.887 3.250 ( 0.827 -1.007 2.056) 2.434 3.286 ( 1.285 0.315 1.061) 1.696 3.322 ( 2.055 -3.083 -0.924) 3.819 3.670 ( 1.741 0.606 -4.903) 5.238 3.676 ( 1.824 -0.112 -4.845) 5.178 3.933 ( 1.451 1.380 0.366) 2.036 3.969 ( 0.396 -2.569 0.272) 2.613 4.115 ( 2.119 1.849 0.050) 2.812 4.126 ( 1.912 0.651 0.579) 2.101 4.231 ( -0.113 -0.628 -0.790) 1.016 4.248 ( 0.281 -1.904 -0.074) 1.926 4.518 ( 3.185 5.285 -1.648) 6.387 4.607 ( 1.961 -3.381 -2.891) 4.861 4.694 ( 7.367 2.220 -0.434) 7.707 4.726 ( 8.470 -0.826 -0.001) 8.510 5.037 ( -2.412 4.802 0.517) 5.399 5.156 ( 1.761 -7.343 0.270) 7.556 5.516 ( -7.615 5.038 1.023) 9.187 5.570 ( -4.471 -0.579 1.857) 4.875 5.717 ( 2.823 1.071 -2.401) 3.858 5.749 ( -0.037 -2.666 -5.516) 6.127 5.894 ( 2.317 3.994 2.588) 5.293 6.001 ( 3.856 -7.271 3.687) 9.018 6.451 ( -7.711 7.449 -0.143) 10.722 6.570 ( -7.685 -5.597 -1.005) 9.560 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -1.316 2.567 0.704) 2.969 0.774 ( 1.057 -2.000 3.660) 4.303 0.889 ( 0.348 1.110 3.486) 3.675 0.927 ( 1.550 -2.753 5.196) 6.081 1.039 ( 3.721 3.894 2.903) 6.119 1.111 ( 1.844 -3.773 1.261) 4.385 1.158 ( 2.837 7.140 -1.498) 7.828 1.251 ( 1.676 0.693 0.602) 1.911 1.271 ( 3.129 -0.684 2.476) 4.048 1.305 ( 1.362 -1.737 -4.550) 5.057 1.373 ( -1.989 5.090 0.121) 5.466 1.434 ( -2.327 -0.366 -1.626) 2.863 1.500 ( -2.998 0.523 0.854) 3.161 1.534 ( -1.091 -2.146 -1.347) 2.759 1.567 ( -4.196 1.452 -4.149) 6.077 1.599 ( -5.798 -0.796 -2.249) 6.269 1.737 ( 0.879 -0.661 -4.106) 4.251 1.754 ( -2.003 -1.078 -3.794) 4.424 1.853 ( -1.797 -0.108 3.434) 3.877 1.935 ( -1.855 -6.158 1.010) 6.510 2.000 ( -1.960 -1.034 -0.021) 2.216 2.059 ( -4.473 -5.184 -1.700) 7.055 2.075 ( -0.782 1.101 4.763) 4.950 2.137 ( -0.544 -4.838 3.874) 6.222 2.266 ( -3.346 4.772 0.778) 5.880 2.361 ( -4.809 -3.404 0.304) 5.899 2.508 ( -1.104 3.485 0.253) 3.664 2.532 ( 0.659 1.882 -2.002) 2.825 2.609 ( -1.183 -0.432 9.219) 9.304 2.653 ( 1.907 -3.215 4.635) 5.954 2.826 ( -1.677 3.064 -4.321) 5.556 2.879 ( -0.876 -2.334 -0.502) 2.543 2.962 ( 1.826 1.056 -0.896) 2.292 2.989 ( -0.122 -1.275 0.331) 1.323 3.252 ( 0.482 1.440 0.601) 1.633 3.278 ( 0.298 -0.721 1.388) 1.593 3.329 ( 1.485 -0.580 0.890) 1.826 3.339 ( 1.548 -2.134 -1.078) 2.848 3.637 ( 0.783 1.344 -3.544) 3.870 3.661 ( 0.953 -1.156 -2.589) 2.992 3.960 ( 0.976 0.841 0.232) 1.309 3.978 ( 0.170 -1.206 0.346) 1.266 4.124 ( 0.544 2.364 -1.140) 2.680 4.161 ( 0.446 -1.564 -0.557) 1.719 4.249 ( 2.523 2.643 2.933) 4.685 4.308 ( 2.505 -2.975 4.378) 5.856 4.491 ( -0.673 4.666 -7.202) 8.608 4.548 ( -1.143 -1.302 -6.136) 6.376 4.819 ( 6.165 5.973 -0.246) 8.588 4.902 ( 11.017 -0.665 0.026) 11.037 5.004 ( -1.839 6.794 0.386) 7.049 5.207 ( 3.450 -12.115 0.164) 12.598 5.358 ( -9.765 6.431 0.094) 11.692 5.479 ( -7.609 -6.062 0.751) 9.758 5.720 ( 3.114 4.818 -2.253) 6.164 5.805 ( 6.709 -2.770 0.273) 7.263 5.942 ( -0.872 5.626 3.059) 6.463 6.070 ( -3.500 -6.662 5.332) 9.223 6.341 ( -2.157 4.579 -1.739) 5.352 6.435 ( -5.150 -5.232 -2.076) 7.629 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 4.500 0.000) 4.500 0.807 ( 0.000 -4.806 -0.000) 4.806 0.935 ( 0.000 1.582 0.000) 1.582 0.940 ( 0.000 1.070 -0.000) 1.070 1.171 ( 0.000 3.127 0.000) 3.127 1.177 ( -0.000 8.784 -0.000) 8.784 1.180 ( -0.000 0.866 -0.000) 0.866 1.227 ( 0.000 -0.167 0.000) 0.167 1.273 ( -0.000 -1.709 0.000) 1.709 1.314 ( 0.000 -2.578 0.000) 2.578 1.368 ( 0.000 2.669 0.000) 2.669 1.403 ( 0.000 0.162 0.000) 0.162 1.405 ( -0.000 -0.353 -0.000) 0.353 1.449 ( -0.000 -5.618 -0.000) 5.618 1.527 ( 0.000 -0.436 0.000) 0.436 1.578 ( -0.000 -3.287 0.000) 3.287 1.726 ( -0.000 2.699 0.000) 2.699 1.766 ( 0.000 -2.819 0.000) 2.819 1.794 ( -0.000 2.384 0.000) 2.384 1.892 ( 0.000 -5.533 0.000) 5.533 1.966 ( 0.000 -2.532 0.000) 2.532 2.021 ( -0.000 -8.741 -0.000) 8.741 2.142 ( -0.000 -0.466 -0.000) 0.466 2.158 ( 0.000 -1.962 0.000) 1.962 2.249 ( 0.000 3.452 0.000) 3.452 2.317 ( -0.000 -2.185 -0.000) 2.185 2.487 ( -0.000 2.865 0.000) 2.865 2.522 ( 0.000 0.828 -0.000) 0.828 2.697 ( -0.000 1.685 -0.000) 1.685 2.717 ( 0.000 -0.243 -0.000) 0.243 2.749 ( 0.000 3.339 0.000) 3.339 2.841 ( 0.000 -6.551 0.000) 6.551 2.984 ( 0.000 0.873 -0.000) 0.873 2.988 ( -0.000 0.355 0.000) 0.355 3.256 ( 0.000 1.074 0.000) 1.074 3.290 ( 0.000 -2.432 -0.000) 2.432 3.338 ( 0.000 0.858 -0.000) 0.858 3.359 ( 0.000 -1.192 0.000) 1.192 3.623 ( 0.000 1.675 -0.000) 1.675 3.654 ( 0.000 -1.517 0.000) 1.517 3.970 ( 0.000 0.634 0.000) 0.634 3.981 ( 0.000 -0.443 -0.000) 0.443 4.122 ( 0.000 1.692 0.000) 1.692 4.155 ( 0.000 -1.951 0.000) 1.951 4.359 ( -0.000 2.409 -0.000) 2.409 4.365 ( 0.000 4.338 0.000) 4.338 4.398 ( 0.000 0.383 0.000) 0.383 4.466 ( -0.000 -3.934 -0.000) 3.934 4.880 ( -0.000 9.032 0.000) 9.032 4.981 ( 0.000 2.414 0.000) 2.414 5.069 ( 0.000 3.803 -0.000) 3.803 5.171 ( -0.000 0.249 0.000) 0.249 5.321 ( 0.000 -6.965 0.000) 6.965 5.365 ( -0.000 -8.494 0.000) 8.494 5.749 ( -0.000 8.104 0.000) 8.104 5.903 ( 0.000 -7.505 0.000) 7.505 5.947 ( 0.000 6.693 -0.000) 6.693 6.025 ( -0.000 0.040 0.000) 0.040 6.339 ( 0.000 -1.224 0.000) 1.224 6.359 ( -0.000 -4.120 -0.000) 4.120 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( -1.486 0.000 13.015) 13.100 0.276 ( -4.509 0.000 14.152) 14.853 0.515 ( 7.709 0.000 25.635) 26.769 0.665 ( 1.473 0.000 2.477) 2.882 0.813 ( 1.581 0.000 -5.695) 5.911 0.940 ( -0.312 0.000 -4.363) 4.374 1.003 ( -2.997 0.000 3.590) 4.676 1.256 ( 0.746 0.000 -7.977) 8.012 1.258 ( 1.768 0.000 -6.895) 7.118 1.405 ( -0.223 0.000 8.320) 8.323 1.453 ( -5.928 0.000 1.264) 6.061 1.467 ( -0.665 0.000 -1.435) 1.582 1.621 ( 0.168 0.000 0.847) 0.864 1.646 ( 1.592 0.000 -2.401) 2.881 1.677 ( -1.475 0.000 3.581) 3.872 1.755 ( -2.048 0.000 -2.708) 3.395 1.797 ( 0.712 0.000 -1.153) 1.355 1.819 ( 0.847 0.000 -1.934) 2.111 1.931 ( 2.379 0.000 1.617) 2.877 1.952 ( -4.339 0.000 -4.683) 6.384 2.129 ( 0.054 0.000 -0.173) 0.182 2.184 ( 0.343 0.000 5.246) 5.257 2.222 ( 1.724 0.000 3.073) 3.523 2.289 ( -4.150 0.000 -0.103) 4.151 2.354 ( -4.602 0.000 2.478) 5.227 2.357 ( 1.239 0.000 2.765) 3.030 2.383 ( 3.855 0.000 -0.960) 3.972 2.485 ( 4.462 0.000 -0.429) 4.482 2.566 ( -2.295 0.000 -2.568) 3.444 2.599 ( 0.841 0.000 -0.516) 0.987 2.738 ( -1.776 0.000 1.717) 2.471 2.826 ( 1.834 0.000 -1.489) 2.363 3.134 ( -0.807 0.000 0.325) 0.870 3.150 ( -0.473 0.000 -0.480) 0.674 3.213 ( 1.816 0.000 2.032) 2.725 3.262 ( -14.107 0.000 0.609) 14.120 3.331 ( 11.389 0.000 0.326) 11.394 3.363 ( -1.709 0.000 -0.336) 1.742 3.645 ( -1.690 0.000 -4.662) 4.959 3.716 ( 0.638 0.000 -7.506) 7.533 3.945 ( -1.797 0.000 3.587) 4.012 4.007 ( -0.804 0.000 2.138) 2.284 4.097 ( -0.811 0.000 -1.463) 1.673 4.234 ( 0.782 0.000 -4.617) 4.683 4.344 ( -1.401 0.000 1.220) 1.858 4.378 ( -1.043 0.000 1.341) 1.699 4.502 ( 25.001 0.000 -1.084) 25.025 4.522 ( 0.145 0.000 -1.742) 1.749 4.946 ( -6.937 0.000 -0.058) 6.937 4.957 ( 4.470 0.000 0.464) 4.494 5.001 ( 7.157 0.000 2.474) 7.573 5.043 ( -9.523 0.000 0.556) 9.539 5.249 ( 0.867 0.000 1.126) 1.421 5.288 ( -0.263 0.000 0.210) 0.336 5.698 ( 2.032 0.000 4.101) 4.577 5.758 ( -4.474 0.000 2.411) 5.082 6.013 ( 5.446 0.000 0.260) 5.453 6.086 ( -18.411 0.000 -3.509) 18.743 6.259 ( -5.532 0.000 2.318) 5.998 6.624 ( 16.172 0.000 -4.678) 16.835 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 6.859 0.000 7.901) 10.463 0.458 ( 6.794 0.000 8.101) 10.573 0.721 ( -4.468 0.000 -1.056) 4.591 0.749 ( 3.546 0.000 1.311) 3.781 0.918 ( 7.579 0.000 11.987) 14.182 0.935 ( 3.677 0.000 -0.080) 3.678 1.079 ( 5.342 0.000 3.574) 6.427 1.113 ( -3.916 0.000 -8.129) 9.023 1.185 ( -0.632 0.000 -0.127) 0.645 1.356 ( -4.384 0.000 0.035) 4.384 1.400 ( -2.006 0.000 1.844) 2.725 1.449 ( -5.307 0.000 -2.760) 5.982 1.591 ( -2.749 0.000 -1.437) 3.102 1.649 ( -3.366 0.000 -5.937) 6.824 1.694 ( 3.241 0.000 -0.542) 3.286 1.738 ( 2.159 0.000 -4.198) 4.721 1.768 ( 1.656 0.000 7.855) 8.027 1.773 ( -1.648 0.000 3.432) 3.807 1.975 ( -0.396 0.000 1.461) 1.514 2.021 ( 3.676 0.000 5.501) 6.616 2.122 ( 2.145 0.000 -4.195) 4.711 2.191 ( -2.311 0.000 0.739) 2.426 2.236 ( -6.015 0.000 -4.780) 7.683 2.258 ( -0.091 0.000 1.897) 1.899 2.301 ( 0.529 0.000 2.548) 2.603 2.386 ( 3.405 0.000 -1.801) 3.852 2.415 ( -4.430 0.000 3.234) 5.485 2.503 ( 2.821 0.000 0.740) 2.916 2.594 ( 2.877 0.000 -2.082) 3.552 2.631 ( 3.878 0.000 0.506) 3.911 2.704 ( -3.507 0.000 2.088) 4.082 2.850 ( 1.171 0.000 -1.114) 1.616 3.131 ( -6.081 0.000 5.199) 8.001 3.151 ( 0.435 0.000 0.695) 0.820 3.159 ( 3.950 0.000 0.328) 3.964 3.273 ( -0.491 0.000 1.422) 1.504 3.305 ( -1.009 0.000 -0.167) 1.023 3.399 ( 0.511 0.000 -2.662) 2.710 3.580 ( 0.524 0.000 -4.862) 4.890 3.673 ( 2.094 0.000 -4.256) 4.743 3.972 ( -0.955 0.000 4.245) 4.351 4.036 ( 2.108 0.000 1.309) 2.481 4.038 ( -3.042 0.000 -2.643) 4.030 4.192 ( 0.267 0.000 -4.275) 4.283 4.325 ( -1.895 0.000 0.447) 1.947 4.344 ( -3.662 0.000 -0.299) 3.674 4.468 ( -2.594 0.000 -1.300) 2.902 4.642 ( 2.373 0.000 -4.696) 5.262 4.814 ( -8.125 0.000 0.751) 8.160 4.866 ( -10.865 0.000 2.565) 11.163 5.045 ( 3.968 0.000 -0.386) 3.987 5.093 ( 1.583 0.000 1.207) 1.991 5.369 ( 7.744 0.000 0.247) 7.748 5.384 ( 10.502 0.000 0.560) 10.517 5.612 ( -10.277 0.000 8.239) 13.172 5.770 ( 0.037 0.000 3.560) 3.561 5.922 ( -4.168 0.000 -7.806) 8.849 6.157 ( -4.567 0.000 7.481) 8.764 6.186 ( 7.425 0.000 -1.602) 7.596 6.735 ( 6.300 0.000 -9.000) 10.986 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 4.386 0.000 0.580) 4.424 0.640 ( 7.502 0.000 4.089) 8.544 0.666 ( 0.161 0.000 -0.225) 0.277 0.776 ( 0.330 0.000 -3.006) 3.024 1.007 ( 0.664 0.000 -1.075) 1.264 1.023 ( 3.488 0.000 -4.070) 5.360 1.053 ( 5.603 0.000 0.510) 5.626 1.115 ( -1.239 0.000 5.075) 5.224 1.235 ( 0.152 0.000 -3.484) 3.487 1.264 ( -3.881 0.000 -8.881) 9.692 1.417 ( -3.056 0.000 6.310) 7.011 1.426 ( 2.708 0.000 8.273) 8.705 1.526 ( -3.541 0.000 -3.695) 5.118 1.543 ( -0.820 0.000 -0.241) 0.855 1.673 ( -3.418 0.000 5.229) 6.247 1.786 ( 3.455 0.000 -2.045) 4.015 1.818 ( 2.705 0.000 -0.866) 2.840 1.904 ( 2.405 0.000 5.597) 6.092 1.922 ( -4.164 0.000 -0.610) 4.208 2.081 ( -3.210 0.000 -1.928) 3.745 2.091 ( 2.142 0.000 -2.982) 3.672 2.156 ( 3.411 0.000 2.128) 4.021 2.218 ( 2.398 0.000 1.769) 2.980 2.268 ( -0.176 0.000 -0.462) 0.495 2.302 ( -1.845 0.000 2.480) 3.091 2.420 ( -2.135 0.000 -0.032) 2.136 2.450 ( 1.763 0.000 -6.549) 6.782 2.467 ( 5.065 0.000 0.230) 5.070 2.595 ( -0.193 0.000 -1.453) 1.466 2.682 ( -1.014 0.000 -0.005) 1.014 2.728 ( 2.480 0.000 3.008) 3.899 2.838 ( -0.423 0.000 -1.593) 1.648 3.088 ( -5.477 0.000 3.950) 6.753 3.149 ( -1.699 0.000 -1.280) 2.127 3.240 ( 2.128 0.000 -0.441) 2.173 3.262 ( 6.299 0.000 0.566) 6.325 3.354 ( -0.126 0.000 3.583) 3.585 3.366 ( -0.172 0.000 -2.220) 2.227 3.547 ( -0.488 0.000 -1.031) 1.141 3.675 ( 1.178 0.000 -0.690) 1.366 3.946 ( -3.852 0.000 -1.998) 4.340 3.996 ( -1.625 0.000 3.439) 3.804 4.092 ( 2.798 0.000 0.290) 2.813 4.136 ( -1.097 0.000 -3.608) 3.771 4.277 ( -1.346 0.000 -1.235) 1.827 4.290 ( -1.961 0.000 -0.330) 1.988 4.434 ( -0.878 0.000 0.047) 0.880 4.585 ( -4.915 0.000 -0.760) 4.973 4.682 ( -7.581 0.000 0.636) 7.607 4.747 ( -3.575 0.000 -0.300) 3.587 5.098 ( 2.771 0.000 -0.344) 2.792 5.119 ( 0.799 0.000 0.309) 0.857 5.505 ( 6.540 0.000 -0.192) 6.543 5.538 ( 2.968 0.000 0.184) 2.974 5.607 ( 1.921 0.000 6.116) 6.410 5.721 ( -7.487 0.000 -7.056) 10.288 5.767 ( -1.038 0.000 -1.447) 1.781 6.083 ( -5.700 0.000 3.280) 6.577 6.408 ( 8.064 0.000 6.406) 10.299 6.700 ( 1.222 0.000 -6.814) 6.923 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -1.000 0.000 2.239) 2.452 0.710 ( 1.621 0.000 -8.075) 8.236 0.719 ( 5.826 0.000 -3.202) 6.648 0.817 ( 6.099 0.000 4.300) 7.463 1.017 ( -2.005 0.000 -1.468) 2.485 1.047 ( 0.325 0.000 1.825) 1.853 1.087 ( -1.579 0.000 2.964) 3.358 1.128 ( -2.694 0.000 3.775) 4.638 1.216 ( 3.526 0.000 -0.882) 3.634 1.224 ( 3.685 0.000 -3.339) 4.973 1.385 ( -2.589 0.000 -3.274) 4.174 1.436 ( -1.255 0.000 1.750) 2.154 1.464 ( 0.127 0.000 -2.837) 2.840 1.637 ( -4.491 0.000 -4.201) 6.150 1.647 ( 7.000 0.000 3.410) 7.787 1.717 ( -2.354 0.000 -5.990) 6.436 1.858 ( 1.143 0.000 6.542) 6.641 1.913 ( -4.080 0.000 -2.544) 4.808 1.934 ( 2.412 0.000 -1.821) 3.023 2.089 ( 0.691 0.000 -5.019) 5.066 2.114 ( -0.035 0.000 9.869) 9.869 2.202 ( -1.153 0.000 1.692) 2.048 2.213 ( -0.131 0.000 -1.352) 1.358 2.269 ( 1.781 0.000 -0.693) 1.911 2.317 ( -0.479 0.000 2.848) 2.888 2.420 ( 5.814 0.000 -2.929) 6.510 2.447 ( -0.328 0.000 0.769) 0.836 2.515 ( 0.337 0.000 -4.247) 4.260 2.592 ( 3.784 0.000 -0.967) 3.905 2.663 ( 0.253 0.000 -1.666) 1.686 2.766 ( -1.054 0.000 1.944) 2.211 2.817 ( 0.440 0.000 -1.578) 1.638 3.021 ( -5.920 0.000 2.257) 6.336 3.102 ( 0.656 0.000 -4.126) 4.178 3.302 ( 2.985 0.000 0.173) 2.990 3.339 ( -0.563 0.000 1.048) 1.190 3.362 ( -3.120 0.000 3.426) 4.634 3.384 ( 5.778 0.000 -1.599) 5.996 3.543 ( -1.322 0.000 4.080) 4.289 3.698 ( 0.115 0.000 2.887) 2.889 3.879 ( -1.951 0.000 0.409) 1.993 3.991 ( -2.673 0.000 2.363) 3.567 4.100 ( 0.656 0.000 -2.001) 2.106 4.135 ( 2.251 0.000 -0.847) 2.405 4.256 ( -0.985 0.000 -0.578) 1.142 4.268 ( 0.465 0.000 0.200) 0.507 4.421 ( -0.558 0.000 -0.489) 0.742 4.481 ( -5.287 0.000 -0.044) 5.287 4.568 ( -4.903 0.000 -0.749) 4.960 4.706 ( 0.424 0.000 -3.802) 3.826 5.132 ( 0.462 0.000 0.050) 0.465 5.136 ( 1.907 0.000 -0.384) 1.945 5.540 ( -3.135 0.000 -1.851) 3.641 5.558 ( -2.335 0.000 1.854) 2.982 5.579 ( 2.602 0.000 -0.308) 2.621 5.734 ( 3.575 0.000 3.345) 4.896 5.742 ( 1.480 0.000 -2.855) 3.216 6.027 ( -4.258 0.000 1.682) 4.578 6.566 ( 1.669 0.000 4.940) 5.214 6.651 ( 1.092 0.000 -4.236) 4.375 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -2.108 0.000 2.317) 3.132 0.671 ( 4.105 0.000 -6.181) 7.420 0.799 ( 4.981 0.000 -0.479) 5.004 0.920 ( -5.684 0.000 4.234) 7.088 0.971 ( 2.198 0.000 2.243) 3.140 1.055 ( -6.306 0.000 5.604) 8.436 1.067 ( 0.725 0.000 -4.681) 4.737 1.140 ( 2.252 0.000 1.231) 2.567 1.273 ( 3.537 0.000 -0.459) 3.567 1.277 ( 2.626 0.000 1.220) 2.895 1.334 ( -1.882 0.000 1.766) 2.581 1.375 ( 0.098 0.000 -11.238) 11.239 1.486 ( -2.851 0.000 -5.671) 6.348 1.496 ( 2.731 0.000 3.694) 4.594 1.668 ( -6.503 0.000 -8.368) 10.598 1.695 ( 3.934 0.000 -2.133) 4.475 1.804 ( 0.178 0.000 -1.591) 1.601 1.894 ( -0.553 0.000 -2.912) 2.964 1.958 ( -2.503 0.000 6.258) 6.740 2.102 ( 6.613 0.000 -0.248) 6.618 2.171 ( -0.826 0.000 -4.235) 4.315 2.189 ( -4.706 0.000 6.412) 7.954 2.237 ( 0.642 0.000 2.975) 3.044 2.271 ( 0.723 0.000 -0.377) 0.815 2.321 ( -2.677 0.000 1.852) 3.255 2.431 ( -0.492 0.000 -0.858) 0.989 2.459 ( 1.819 0.000 -5.494) 5.787 2.514 ( 3.168 0.000 1.420) 3.472 2.638 ( 1.201 0.000 -0.897) 1.498 2.650 ( -0.223 0.000 -1.701) 1.715 2.762 ( -0.713 0.000 1.419) 1.588 2.812 ( 0.973 0.000 -1.505) 1.792 2.957 ( -2.877 0.000 1.002) 3.047 3.077 ( 2.393 0.000 -4.966) 5.513 3.311 ( -1.601 0.000 0.066) 1.602 3.334 ( -0.560 0.000 0.078) 0.565 3.346 ( -1.961 0.000 1.680) 2.582 3.439 ( 1.805 0.000 -0.908) 2.021 3.608 ( -0.020 0.000 8.450) 8.450 3.745 ( -0.882 0.000 5.814) 5.880 3.895 ( 0.648 0.000 3.754) 3.810 3.964 ( -2.090 0.000 0.631) 2.183 4.100 ( 1.644 0.000 -1.485) 2.215 4.142 ( 0.503 0.000 -2.063) 2.123 4.253 ( 0.746 0.000 0.311) 0.808 4.287 ( 0.493 0.000 1.495) 1.574 4.399 ( -0.683 0.000 -1.549) 1.693 4.424 ( -0.226 0.000 -0.614) 0.654 4.506 ( 0.065 0.000 -2.144) 2.145 4.651 ( 0.471 0.000 -6.961) 6.977 5.135 ( -0.097 0.000 -0.119) 0.153 5.152 ( 0.470 0.000 -0.601) 0.763 5.546 ( 2.709 0.000 3.077) 4.099 5.553 ( -1.496 0.000 2.456) 2.876 5.609 ( 0.215 0.000 0.728) 0.759 5.739 ( 1.908 0.000 -3.217) 3.740 5.796 ( -0.765 0.000 3.451) 3.535 5.969 ( -2.402 0.000 -1.013) 2.607 6.578 ( -4.083 0.000 1.481) 4.344 6.660 ( 3.752 0.000 -1.398) 4.004 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -3.268 0.000 -0.375) 3.289 0.713 ( 3.268 0.000 0.126) 3.271 0.791 ( -6.417 0.000 -2.239) 6.797 0.793 ( -10.123 0.000 1.129) 10.186 0.981 ( -2.510 0.000 -0.381) 2.539 1.028 ( 2.619 0.000 0.286) 2.634 1.097 ( 4.944 0.000 -1.146) 5.075 1.146 ( -3.889 0.000 -8.379) 9.238 1.229 ( -6.484 0.000 -1.517) 6.659 1.251 ( -0.955 0.000 1.818) 2.054 1.360 ( 1.057 0.000 5.248) 5.354 1.381 ( 2.936 0.000 -0.067) 2.937 1.470 ( -1.579 0.000 -4.987) 5.231 1.498 ( 8.987 0.000 -1.895) 9.184 1.592 ( 2.874 0.000 0.960) 3.030 1.739 ( 4.411 0.000 -5.087) 6.733 1.787 ( -0.755 0.000 2.027) 2.163 1.840 ( -1.470 0.000 -0.270) 1.494 1.936 ( -5.850 0.000 2.743) 6.461 2.088 ( -2.577 0.000 -3.970) 4.733 2.120 ( -2.826 0.000 -2.753) 3.945 2.242 ( 3.234 0.000 2.489) 4.081 2.242 ( -2.132 0.000 -1.954) 2.892 2.292 ( 2.306 0.000 1.704) 2.867 2.334 ( -2.168 0.000 4.808) 5.274 2.401 ( -0.592 0.000 -0.047) 0.594 2.437 ( -0.082 0.000 -0.500) 0.506 2.546 ( 1.295 0.000 -2.830) 3.112 2.600 ( -2.920 0.000 -1.678) 3.368 2.631 ( -0.597 0.000 0.616) 0.858 2.767 ( -1.634 0.000 1.102) 1.971 2.832 ( 2.903 0.000 -0.895) 3.038 2.922 ( -1.134 0.000 -2.350) 2.609 3.080 ( 3.240 0.000 -2.912) 4.357 3.288 ( -1.123 0.000 1.143) 1.602 3.313 ( -1.894 0.000 -0.447) 1.946 3.321 ( -2.497 0.000 0.599) 2.568 3.446 ( 0.229 0.000 0.434) 0.491 3.712 ( -0.286 0.000 8.868) 8.872 3.777 ( -2.939 0.000 4.810) 5.637 3.933 ( -1.062 0.000 -1.327) 1.700 3.965 ( 1.890 0.000 3.945) 4.374 4.117 ( -0.544 0.000 -2.036) 2.107 4.137 ( 4.278 0.000 -0.577) 4.317 4.280 ( 1.326 0.000 0.957) 1.635 4.316 ( 0.591 0.000 0.632) 0.865 4.372 ( -0.192 0.000 -0.234) 0.303 4.471 ( 5.805 0.000 0.159) 5.807 4.526 ( 5.269 0.000 -2.414) 5.796 4.574 ( 1.115 0.000 -8.592) 8.664 5.126 ( -0.782 0.000 -0.254) 0.822 5.144 ( -0.584 0.000 -0.248) 0.635 5.523 ( -3.841 0.000 1.858) 4.267 5.578 ( -3.435 0.000 -1.280) 3.666 5.640 ( 0.593 0.000 0.047) 0.594 5.730 ( 0.393 0.000 -3.118) 3.143 5.852 ( 2.914 0.000 8.088) 8.597 5.941 ( 1.572 0.000 -1.820) 2.405 6.480 ( -7.270 0.000 0.310) 7.276 6.743 ( 5.829 0.000 0.406) 5.844 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -8.932 0.000 -10.563) 13.833 0.564 ( -13.821 0.000 -0.370) 13.826 0.672 ( -6.940 0.000 5.689) 8.974 0.772 ( -2.099 0.000 0.535) 2.167 0.808 ( -15.791 0.000 -3.261) 16.124 1.007 ( -3.206 0.000 -3.380) 4.659 1.009 ( -3.396 0.000 0.772) 3.483 1.158 ( 7.621 0.000 -2.302) 7.961 1.221 ( 3.061 0.000 -0.665) 3.132 1.243 ( 1.804 0.000 -1.687) 2.470 1.384 ( 3.449 0.000 -1.915) 3.945 1.448 ( -0.067 0.000 5.503) 5.504 1.492 ( 3.097 0.000 1.833) 3.599 1.629 ( 1.602 0.000 -1.511) 2.202 1.686 ( 10.367 0.000 -0.379) 10.374 1.757 ( 0.606 0.000 3.945) 3.991 1.816 ( -2.321 0.000 -3.695) 4.363 1.855 ( 1.401 0.000 6.404) 6.556 1.865 ( -0.075 0.000 -0.396) 0.403 1.986 ( -4.170 0.000 -1.801) 4.542 2.067 ( 0.792 0.000 -4.079) 4.155 2.200 ( -0.879 0.000 0.697) 1.122 2.253 ( -4.113 0.000 -2.021) 4.583 2.285 ( -1.405 0.000 3.191) 3.487 2.291 ( -2.459 0.000 -1.152) 2.715 2.436 ( 0.333 0.000 -1.123) 1.172 2.480 ( -4.236 0.000 -5.328) 6.807 2.496 ( 0.260 0.000 8.528) 8.532 2.565 ( 3.312 0.000 -1.429) 3.607 2.637 ( 0.315 0.000 0.282) 0.423 2.723 ( -3.627 0.000 1.293) 3.851 2.844 ( -2.955 0.000 -2.449) 3.838 2.882 ( 3.178 0.000 -3.403) 4.656 3.113 ( 2.493 0.000 -0.651) 2.576 3.249 ( -4.601 0.000 -0.509) 4.629 3.260 ( -2.826 0.000 -1.086) 3.027 3.318 ( 0.697 0.000 2.702) 2.791 3.483 ( 2.512 0.000 2.266) 3.383 3.752 ( -3.262 0.000 0.643) 3.325 3.770 ( -2.629 0.000 4.767) 5.444 3.897 ( -0.865 0.000 -1.478) 1.712 4.049 ( 2.856 0.000 2.584) 3.852 4.073 ( -2.245 0.000 -1.563) 2.735 4.234 ( 5.616 0.000 1.129) 5.728 4.299 ( 1.669 0.000 -4.901) 5.177 4.312 ( 1.145 0.000 0.359) 1.200 4.413 ( 0.989 0.000 4.571) 4.677 4.482 ( 1.016 0.000 -10.831) 10.879 4.629 ( 10.023 0.000 1.821) 10.187 4.636 ( 9.185 0.000 -0.937) 9.233 5.100 ( -1.802 0.000 -0.499) 1.870 5.132 ( -0.719 0.000 0.471) 0.859 5.456 ( -5.302 0.000 0.367) 5.315 5.477 ( -5.966 0.000 -1.075) 6.062 5.579 ( -5.819 0.000 1.274) 5.957 5.677 ( -0.987 0.000 -3.783) 3.910 5.964 ( 3.019 0.000 -3.024) 4.273 6.053 ( 7.170 0.000 7.618) 10.462 6.365 ( -6.822 0.000 2.726) 7.346 6.847 ( 5.558 0.000 -1.457) 5.746 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( -7.863 0.000 6.418) 10.150 0.315 ( -15.110 0.000 4.179) 15.677 0.463 ( -22.082 0.000 7.018) 23.171 0.681 ( -4.570 0.000 -0.368) 4.584 0.701 ( 1.425 0.000 13.003) 13.081 0.958 ( 0.092 0.000 2.355) 2.356 1.001 ( 0.164 0.000 -3.326) 3.330 1.242 ( 5.760 0.000 -2.185) 6.160 1.278 ( 3.309 0.000 -2.866) 4.377 1.279 ( 3.308 0.000 3.381) 4.730 1.457 ( -0.594 0.000 0.432) 0.735 1.489 ( 2.654 0.000 2.172) 3.430 1.578 ( 1.651 0.000 5.441) 5.686 1.628 ( 3.221 0.000 -3.262) 4.584 1.713 ( -2.267 0.000 -3.609) 4.262 1.764 ( -0.497 0.000 2.195) 2.251 1.833 ( -3.391 0.000 -2.260) 4.075 1.862 ( 0.800 0.000 -3.244) 3.341 1.884 ( 2.845 0.000 0.553) 2.898 2.040 ( 4.035 0.000 6.807) 7.912 2.088 ( 4.193 0.000 5.088) 6.593 2.146 ( -4.301 0.000 -4.318) 6.095 2.216 ( 2.215 0.000 2.403) 3.268 2.234 ( -6.914 0.000 -0.501) 6.932 2.305 ( 2.795 0.000 3.030) 4.122 2.354 ( -2.719 0.000 -0.705) 2.809 2.392 ( -0.389 0.000 -3.547) 3.568 2.557 ( -1.521 0.000 -6.580) 6.754 2.597 ( 0.791 0.000 -0.805) 1.129 2.635 ( -1.303 0.000 -0.915) 1.592 2.720 ( 0.358 0.000 2.456) 2.482 2.843 ( 4.907 0.000 17.252) 17.936 2.863 ( -1.212 0.000 -2.554) 2.827 3.148 ( 1.303 0.000 0.683) 1.471 3.167 ( -3.561 0.000 0.397) 3.583 3.202 ( -1.778 0.000 -1.000) 2.040 3.361 ( 0.842 0.000 1.449) 1.676 3.553 ( 0.664 0.000 -5.163) 5.206 3.706 ( 0.669 0.000 2.869) 2.946 3.732 ( -3.728 0.000 -0.871) 3.828 3.887 ( 0.183 0.000 3.166) 3.172 4.005 ( -2.702 0.000 -2.354) 3.584 4.102 ( 1.097 0.000 0.255) 1.126 4.265 ( 0.948 0.000 -3.426) 3.555 4.290 ( -2.179 0.000 -8.251) 8.533 4.345 ( 3.749 0.000 0.520) 3.785 4.361 ( -2.542 0.000 -1.196) 2.809 4.489 ( 2.986 0.000 1.558) 3.368 4.815 ( 10.187 0.000 1.427) 10.286 4.836 ( 10.067 0.000 0.668) 10.089 5.045 ( -3.791 0.000 -0.659) 3.848 5.130 ( -0.381 0.000 -0.402) 0.553 5.337 ( -7.984 0.000 -0.189) 7.986 5.357 ( -6.614 0.000 0.355) 6.623 5.561 ( 0.975 0.000 9.337) 9.387 5.645 ( 0.979 0.000 -0.648) 1.174 5.968 ( 2.283 0.000 -3.072) 3.828 6.252 ( 7.057 0.000 5.559) 8.983 6.308 ( -4.807 0.000 4.108) 6.323 6.808 ( -4.668 0.000 -17.542) 18.152 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( 2.613 11.232 6.823) 13.399 0.443 ( -0.374 10.256 10.932) 14.995 0.693 ( 0.386 4.717 2.750) 5.474 0.717 ( 2.762 15.553 13.073) 20.504 0.798 ( 0.629 2.114 -2.213) 3.124 0.946 ( 2.539 -0.628 5.122) 5.751 1.031 ( -3.649 5.746 1.069) 6.890 1.198 ( 1.198 -3.752 -6.494) 7.595 1.288 ( 1.693 -1.361 -5.135) 5.575 1.351 ( -4.918 -5.260 -2.933) 7.776 1.392 ( 1.035 -2.503 5.046) 5.727 1.525 ( -3.947 1.801 -0.496) 4.367 1.537 ( 2.299 -3.692 0.784) 4.420 1.618 ( -1.023 -4.967 -0.842) 5.141 1.668 ( -2.967 -2.070 1.847) 4.062 1.730 ( 1.499 -3.144 0.731) 3.559 1.762 ( 0.770 0.509 0.041) 0.924 1.839 ( 2.282 2.382 -0.161) 3.303 1.954 ( -1.639 0.122 1.806) 2.442 2.031 ( -0.704 6.356 -6.289) 8.969 2.124 ( -2.646 -2.221 -5.827) 6.774 2.152 ( 3.004 -3.443 6.097) 7.619 2.204 ( -1.012 1.935 4.689) 5.173 2.315 ( 0.133 1.639 -1.132) 1.996 2.336 ( 2.706 0.688 2.308) 3.622 2.376 ( -2.677 3.226 4.031) 5.816 2.403 ( 2.568 1.682 4.831) 5.724 2.529 ( -0.141 -0.688 -2.026) 2.145 2.542 ( -1.558 1.760 -1.069) 2.582 2.653 ( 1.399 3.838 -1.782) 4.457 2.747 ( -2.040 2.092 2.524) 3.861 2.834 ( 1.849 0.514 -1.351) 2.347 3.002 ( 0.667 -10.708 11.774) 15.929 3.133 ( -0.506 -0.161 0.060) 0.535 3.181 ( 0.015 -2.347 0.585) 2.419 3.222 ( -3.882 -1.624 -0.240) 4.215 3.268 ( 5.503 -1.799 2.411) 6.272 3.373 ( -1.467 0.432 -0.411) 1.584 3.638 ( -0.811 -0.088 -4.297) 4.373 3.691 ( -1.440 -1.096 -4.298) 4.663 3.904 ( -0.041 -1.229 2.763) 3.024 4.001 ( 1.014 -0.189 1.389) 1.730 4.078 ( -0.894 -2.227 -1.301) 2.730 4.241 ( 0.181 -0.136 -4.450) 4.456 4.297 ( 2.680 -5.171 0.789) 5.877 4.346 ( -1.385 -0.513 0.724) 1.645 4.484 ( -1.806 -1.716 -0.637) 2.571 4.560 ( 8.750 0.620 -2.545) 9.134 4.776 ( -1.752 -10.770 1.468) 11.009 4.816 ( -0.657 -9.623 0.133) 9.647 5.071 ( 4.502 1.874 0.893) 4.958 5.110 ( -3.460 1.748 -0.409) 3.898 5.363 ( -1.945 9.423 1.323) 9.712 5.422 ( 2.700 10.804 -0.858) 11.169 5.580 ( -0.955 -2.229 7.319) 7.710 5.752 ( -0.509 -0.787 1.979) 2.189 5.972 ( 4.517 -3.915 -0.520) 6.000 6.132 ( -8.015 -3.262 -5.852) 10.446 6.352 ( -4.345 7.935 0.422) 9.057 6.776 ( 6.284 7.427 -11.388) 14.978 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 5.125 6.628 6.592) 10.661 0.578 ( 4.560 10.550 5.613) 12.790 0.749 ( 0.507 3.037 0.342) 3.098 0.786 ( 4.375 2.739 -0.721) 5.211 0.913 ( -2.953 1.363 4.648) 5.672 1.028 ( 4.868 6.776 5.558) 10.025 1.062 ( 0.266 0.112 -1.777) 1.801 1.125 ( -0.343 -0.724 -4.749) 4.816 1.198 ( 1.334 3.100 1.671) 3.766 1.296 ( -0.865 -5.667 0.180) 5.736 1.401 ( -3.943 -4.667 1.324) 6.252 1.434 ( -2.088 1.737 -2.648) 3.794 1.561 ( -1.406 -1.173 -0.727) 1.970 1.599 ( -1.680 -2.119 -0.527) 2.755 1.699 ( 1.624 -1.256 1.548) 2.571 1.717 ( 3.636 -1.550 -3.001) 4.963 1.782 ( -5.454 2.349 3.076) 6.687 1.853 ( -1.614 2.578 2.276) 3.799 1.930 ( -0.916 -2.369 0.975) 2.721 2.009 ( 0.984 -2.023 4.294) 4.848 2.061 ( 3.095 -1.703 -5.566) 6.593 2.237 ( -0.377 -0.979 4.619) 4.737 2.250 ( -5.471 4.928 -2.152) 7.672 2.254 ( 1.292 -0.895 -1.566) 2.218 2.353 ( 2.251 -1.222 0.115) 2.564 2.370 ( -2.566 4.049 -0.378) 4.809 2.450 ( -1.822 4.016 2.969) 5.316 2.506 ( -1.666 -1.337 -2.374) 3.194 2.559 ( 4.249 -0.553 1.754) 4.630 2.667 ( 1.124 1.841 0.761) 2.287 2.724 ( -1.316 2.832 1.424) 3.432 2.876 ( 1.995 1.891 -0.924) 2.900 3.067 ( -2.678 -4.776 5.843) 8.008 3.153 ( 2.813 -0.372 -0.074) 2.839 3.181 ( 0.367 0.830 1.002) 1.352 3.230 ( 0.668 -3.600 0.553) 3.703 3.317 ( -1.358 0.711 -0.006) 1.533 3.368 ( 1.660 -2.470 -1.019) 3.145 3.584 ( 0.591 0.431 -4.506) 4.565 3.649 ( 2.038 -1.870 -3.466) 4.434 3.933 ( -0.761 -2.519 2.450) 3.596 4.030 ( -0.074 0.064 1.220) 1.224 4.040 ( -0.013 -0.983 -0.796) 1.265 4.179 ( -0.301 -1.895 -5.741) 6.053 4.297 ( -2.797 -1.242 -1.121) 3.259 4.356 ( 0.707 -1.736 2.357) 3.012 4.426 ( -3.337 -1.803 -0.467) 3.822 4.631 ( 2.499 -1.036 -4.103) 4.915 4.739 ( -4.305 -6.256 1.478) 7.737 4.778 ( -3.690 -7.059 1.868) 8.181 5.000 ( -1.793 1.564 0.439) 2.419 5.272 ( 10.080 -4.327 0.046) 10.970 5.300 ( -3.663 11.254 -0.141) 11.836 5.506 ( 5.162 6.930 0.285) 8.646 5.600 ( -4.433 0.057 6.599) 7.950 5.805 ( 0.830 1.445 3.203) 3.611 5.893 ( -5.648 -2.585 -8.432) 10.473 6.137 ( 10.256 -4.699 1.209) 11.346 6.266 ( -7.903 9.451 4.102) 12.985 6.742 ( 1.959 0.306 -8.277) 8.511 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 1.888 2.458 -0.077) 3.101 0.703 ( 2.724 6.976 4.271) 8.621 0.763 ( 3.989 6.663 -2.738) 8.235 0.811 ( -0.568 4.348 -0.671) 4.436 0.958 ( 5.903 -3.983 -1.687) 7.318 0.992 ( 1.457 -1.078 -0.889) 2.018 1.075 ( 0.454 1.497 -1.699) 2.309 1.164 ( -0.262 1.520 5.335) 5.554 1.247 ( 2.525 1.583 -6.112) 6.800 1.259 ( -3.407 0.541 -2.772) 4.426 1.383 ( 0.760 -3.526 4.690) 5.917 1.452 ( -0.685 2.397 3.216) 4.069 1.511 ( -3.145 -0.142 0.243) 3.158 1.550 ( -1.119 0.321 0.267) 1.194 1.651 ( -4.510 -1.941 3.512) 6.037 1.758 ( 2.865 -3.096 -4.648) 6.276 1.794 ( 1.984 -3.698 -0.944) 4.301 1.834 ( -2.906 -3.504 0.755) 4.614 1.939 ( 0.090 0.302 5.936) 5.944 2.075 ( 1.047 -1.312 -0.234) 1.695 2.127 ( 3.400 0.351 -0.332) 3.434 2.140 ( -1.695 2.409 3.127) 4.296 2.196 ( -0.985 -0.062 -5.470) 5.558 2.247 ( -1.390 -3.429 2.339) 4.377 2.352 ( -1.746 -1.104 -3.199) 3.808 2.386 ( 1.366 -1.402 -2.507) 3.180 2.421 ( -0.448 1.257 1.278) 1.848 2.504 ( 2.597 2.587 0.398) 3.688 2.582 ( -1.377 -0.069 0.477) 1.459 2.708 ( 0.661 0.519 -3.017) 3.131 2.735 ( 0.609 1.958 3.454) 4.017 2.871 ( -0.619 2.401 -1.024) 2.683 3.068 ( -2.815 -2.434 3.463) 5.083 3.141 ( -4.424 -1.753 -0.484) 4.783 3.222 ( 3.132 -1.202 0.490) 3.390 3.269 ( 3.961 0.080 0.074) 3.963 3.332 ( 1.775 -0.568 0.857) 2.052 3.372 ( 0.357 -0.316 -0.416) 0.633 3.557 ( -0.024 1.036 -0.976) 1.423 3.666 ( 1.588 -0.837 0.116) 1.799 3.919 ( -1.604 -1.481 -0.106) 2.186 4.023 ( -1.145 1.515 1.328) 2.317 4.063 ( -0.109 -2.868 -1.456) 3.218 4.120 ( 1.810 -0.483 -2.620) 3.221 4.246 ( -0.889 -0.820 -0.998) 1.569 4.349 ( -2.609 2.549 -0.735) 3.721 4.401 ( -0.131 -2.816 1.283) 3.097 4.577 ( -3.292 -0.766 -1.687) 3.778 4.670 ( -4.454 -0.670 0.481) 4.530 4.743 ( -1.755 -0.202 0.382) 1.808 5.026 ( 3.012 -2.948 0.174) 4.218 5.230 ( -3.332 6.932 -0.083) 7.692 5.440 ( 8.079 -4.874 -0.712) 9.462 5.583 ( 2.619 0.693 0.684) 2.794 5.621 ( -0.481 3.227 4.726) 5.743 5.702 ( -3.792 -0.266 -6.696) 7.700 5.830 ( -1.189 3.761 -0.329) 3.958 6.150 ( -7.152 6.709 2.066) 10.022 6.364 ( 7.028 -4.538 6.769) 10.761 6.666 ( -0.463 -3.287 -6.301) 7.122 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.977 0.115 -0.067) 0.986 0.752 ( 3.039 4.112 -4.782) 7.001 0.785 ( 2.355 6.598 -3.415) 7.794 0.854 ( 4.083 2.759 2.932) 5.734 1.009 ( -0.869 -3.407 2.586) 4.364 1.044 ( 3.016 0.444 -3.000) 4.277 1.083 ( 0.617 2.657 -0.164) 2.732 1.153 ( -1.435 2.166 2.532) 3.628 1.213 ( 3.753 0.226 -2.576) 4.557 1.275 ( -1.434 3.964 2.582) 4.943 1.385 ( -0.582 -2.238 -1.720) 2.882 1.425 ( -2.243 -0.508 3.521) 4.206 1.466 ( -0.820 2.271 -3.755) 4.464 1.589 ( 1.303 -3.336 -2.706) 4.489 1.653 ( -1.314 -1.114 2.230) 2.818 1.698 ( -1.085 -2.143 -5.932) 6.400 1.792 ( 2.358 -6.471 6.052) 9.169 1.853 ( 1.658 -4.022 0.833) 4.430 1.951 ( -6.045 -0.696 -1.796) 6.345 2.058 ( -1.516 0.162 -2.825) 3.210 2.126 ( -0.360 -4.917 0.139) 4.933 2.179 ( 3.993 0.399 -1.193) 4.187 2.200 ( 0.845 0.471 2.148) 2.356 2.246 ( 1.766 -5.656 -2.268) 6.345 2.321 ( 1.406 0.437 2.871) 3.226 2.407 ( -1.881 -1.406 2.533) 3.454 2.417 ( 1.204 -0.143 -2.432) 2.717 2.506 ( -2.422 -3.261 -0.155) 4.065 2.597 ( 3.143 5.065 -1.011) 6.046 2.659 ( 0.381 -2.248 -5.313) 5.781 2.748 ( -1.786 -1.413 1.464) 2.707 2.869 ( 1.252 3.971 -0.408) 4.184 3.034 ( -6.045 0.815 2.366) 6.543 3.071 ( 0.647 -3.371 -3.157) 4.663 3.266 ( 1.332 -2.413 -0.500) 2.801 3.332 ( 1.961 -1.043 2.057) 3.027 3.364 ( -1.211 -0.432 0.057) 1.287 3.386 ( 2.268 0.031 0.593) 2.344 3.565 ( -0.544 2.070 3.732) 4.302 3.701 ( 0.095 0.287 3.447) 3.460 3.901 ( 0.059 2.154 0.231) 2.167 3.993 ( -2.688 0.087 0.842) 2.818 4.050 ( 1.152 -2.781 -1.286) 3.273 4.163 ( 3.215 2.415 -0.652) 4.073 4.244 ( 0.540 -1.087 0.910) 1.517 4.298 ( -1.454 1.678 -1.077) 2.468 4.403 ( -0.433 -1.059 -0.369) 1.202 4.509 ( -2.612 1.789 -0.435) 3.196 4.596 ( -3.655 3.310 -0.549) 4.962 4.721 ( 0.038 2.133 -2.227) 3.084 5.084 ( 3.225 -2.950 -0.035) 4.370 5.177 ( -2.568 2.636 -0.287) 3.691 5.529 ( 2.444 -1.807 0.107) 3.042 5.581 ( -1.509 0.438 -0.950) 1.836 5.631 ( 1.413 2.264 -0.958) 2.836 5.701 ( 2.394 1.089 3.873) 4.682 5.789 ( -1.114 4.038 -2.185) 4.724 6.056 ( -5.845 3.135 1.421) 6.783 6.513 ( 1.717 -5.321 4.684) 7.294 6.601 ( 0.470 -5.008 -4.058) 6.463 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.610 0.254 0.084) 0.666 0.720 ( 1.039 3.248 -4.439) 5.597 0.814 ( 1.275 2.059 -1.068) 2.647 0.946 ( 0.647 2.067 4.168) 4.697 1.001 ( -3.434 -0.436 -2.662) 4.367 1.023 ( 2.514 0.578 1.371) 2.921 1.119 ( -2.239 4.078 3.842) 6.034 1.151 ( 1.998 1.607 -1.376) 2.910 1.223 ( -0.447 -2.121 -3.836) 4.406 1.305 ( 1.800 -0.296 1.228) 2.199 1.362 ( -0.578 3.124 -3.101) 4.440 1.397 ( 0.885 1.763 -0.007) 1.972 1.486 ( 1.425 0.547 1.758) 2.328 1.497 ( -2.381 0.230 -1.260) 2.704 1.619 ( 0.731 -4.297 -4.858) 6.526 1.689 ( -3.304 -1.021 -3.081) 4.632 1.804 ( 1.431 -0.489 -0.892) 1.755 1.876 ( -0.810 -3.139 -0.545) 3.287 1.935 ( -3.407 -0.664 -1.196) 3.672 1.998 ( 3.560 -7.881 5.721) 10.369 2.082 ( -0.425 -6.818 -3.535) 7.692 2.218 ( 1.377 0.414 -1.352) 1.973 2.249 ( 0.019 -3.465 -1.353) 3.719 2.268 ( 0.731 1.140 -0.152) 1.363 2.328 ( -3.626 -0.676 0.984) 3.818 2.390 ( 2.884 -2.248 -0.312) 3.670 2.435 ( -0.114 -5.268 2.050) 5.654 2.493 ( 0.319 -0.768 1.375) 1.607 2.608 ( -1.312 0.693 -2.094) 2.567 2.628 ( 3.157 -2.165 -3.137) 4.949 2.759 ( 1.036 -0.380 1.550) 1.902 2.857 ( -1.458 3.441 -2.755) 4.643 2.968 ( -2.319 0.810 1.006) 2.654 3.057 ( 1.800 -2.073 -3.332) 4.317 3.273 ( -0.000 -2.707 -0.285) 2.722 3.327 ( -1.607 -1.295 -0.820) 2.221 3.351 ( -2.121 0.552 1.162) 2.481 3.427 ( 1.893 -1.311 -0.028) 2.303 3.630 ( -0.105 1.858 7.930) 8.146 3.745 ( -1.526 -0.266 5.744) 5.949 3.939 ( 2.423 3.481 1.882) 4.640 3.966 ( -1.980 0.909 1.567) 2.684 4.054 ( 0.901 -2.999 -1.295) 3.388 4.182 ( 0.106 2.469 -1.676) 2.986 4.257 ( -0.334 -0.615 0.241) 0.740 4.312 ( 2.156 3.572 2.523) 4.875 4.379 ( -0.642 -1.525 -1.394) 2.164 4.480 ( -0.256 4.390 -0.476) 4.423 4.544 ( 0.139 4.937 -1.944) 5.307 4.682 ( 0.034 3.816 -4.617) 5.990 5.129 ( -2.239 -0.627 -0.275) 2.342 5.137 ( 2.623 -1.131 -0.250) 2.868 5.546 ( -0.010 -0.399 0.925) 1.007 5.582 ( 0.604 -0.585 0.693) 1.090 5.660 ( 0.317 4.154 1.013) 4.288 5.757 ( -1.052 -0.654 2.487) 2.778 5.772 ( 2.595 3.345 -0.501) 4.263 5.978 ( -2.598 0.746 -1.395) 3.042 6.525 ( -3.914 -5.226 1.386) 6.674 6.607 ( 3.650 -5.356 -1.278) 6.606 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -1.946 2.576 -0.638) 3.291 0.704 ( 0.278 -0.854 -1.291) 1.573 0.743 ( -6.281 1.029 -1.462) 6.531 0.886 ( -4.590 1.582 -5.236) 7.140 0.957 ( -0.503 -3.532 -2.607) 4.419 1.045 ( -3.178 4.504 1.327) 5.670 1.133 ( 5.211 3.834 2.011) 6.774 1.166 ( 0.012 1.762 -4.358) 4.701 1.202 ( -3.608 -0.450 -0.115) 3.638 1.275 ( -0.235 -0.956 6.072) 6.151 1.380 ( -1.026 5.317 -1.196) 5.546 1.454 ( 1.673 3.931 2.841) 5.131 1.455 ( 1.137 -0.134 -5.881) 5.991 1.510 ( 2.873 -0.600 -0.208) 2.942 1.576 ( 3.008 -0.019 0.505) 3.050 1.713 ( 4.256 -3.365 -0.887) 5.497 1.754 ( -3.846 -2.522 -1.883) 4.970 1.838 ( 0.229 -0.995 0.054) 1.022 1.882 ( -3.008 -3.731 -0.026) 4.793 2.050 ( -0.109 -3.372 -2.489) 4.193 2.069 ( -2.655 -4.918 -2.236) 6.020 2.178 ( -0.786 -3.329 2.763) 4.397 2.237 ( 0.648 -3.871 -2.071) 4.438 2.274 ( 0.565 1.538 -2.180) 2.727 2.338 ( 3.451 -1.792 1.673) 4.233 2.434 ( 1.703 -3.281 -0.386) 3.717 2.458 ( -0.249 0.800 2.291) 2.440 2.505 ( -2.231 -3.200 1.158) 4.069 2.552 ( -1.730 0.312 0.411) 1.805 2.639 ( 0.918 1.116 -3.872) 4.133 2.778 ( -1.804 1.351 0.952) 2.447 2.820 ( 2.982 -1.436 -1.899) 3.815 2.944 ( -1.337 1.518 -1.830) 2.728 3.074 ( 3.449 -0.698 -1.513) 3.831 3.260 ( -1.168 -2.445 0.632) 2.782 3.298 ( -1.003 -1.481 -0.299) 1.813 3.317 ( -2.320 0.168 -0.017) 2.326 3.447 ( 0.299 -0.746 0.602) 1.004 3.720 ( -1.075 0.711 8.160) 8.261 3.766 ( -3.021 -0.888 4.933) 5.853 3.933 ( -1.505 0.137 -1.050) 1.840 4.009 ( 0.524 3.919 2.959) 4.939 4.066 ( 1.931 -3.264 -1.001) 3.923 4.153 ( 0.470 0.162 -1.748) 1.818 4.266 ( 0.553 -0.635 1.112) 1.395 4.319 ( -0.297 -1.195 -3.408) 3.624 4.404 ( -0.323 3.375 4.624) 5.734 4.503 ( 4.356 2.997 -0.268) 5.295 4.565 ( 4.029 5.908 -2.121) 7.459 4.625 ( 1.022 4.703 -5.707) 7.465 5.079 ( -2.944 -3.004 -0.152) 4.209 5.183 ( 2.877 2.632 -0.266) 3.908 5.536 ( -2.269 0.472 0.891) 2.483 5.561 ( -3.947 -5.601 -1.725) 7.066 5.650 ( -1.388 4.594 0.621) 4.839 5.779 ( 0.095 3.843 -2.487) 4.578 5.841 ( 3.019 -0.808 6.978) 7.646 5.965 ( 4.479 2.691 -2.002) 5.595 6.433 ( -6.932 -4.568 0.506) 8.317 6.687 ( 5.699 -5.514 0.194) 7.933 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -7.040 4.119 -9.508) 12.527 0.535 ( -11.210 1.847 -1.527) 11.464 0.719 ( -2.606 2.259 1.352) 3.704 0.803 ( -1.983 1.632 -0.056) 2.569 0.881 ( -4.662 1.541 -1.076) 5.027 1.012 ( -5.647 4.491 3.479) 8.010 1.054 ( -4.880 5.935 -4.443) 8.876 1.182 ( 3.785 2.336 -0.093) 4.449 1.245 ( 1.964 1.729 0.056) 2.618 1.304 ( 0.606 4.327 -4.566) 6.320 1.353 ( 2.339 -0.746 2.502) 3.505 1.447 ( 2.428 -2.171 0.261) 3.267 1.492 ( -0.633 0.367 2.979) 3.067 1.563 ( 0.588 -3.660 0.794) 3.791 1.698 ( -1.021 -5.491 4.240) 7.012 1.714 ( 8.388 0.852 -0.784) 8.468 1.789 ( 2.592 -5.997 -0.929) 6.599 1.826 ( -1.202 0.533 -1.465) 1.969 1.857 ( 0.758 -0.372 1.280) 1.534 1.979 ( -0.789 0.522 -0.351) 1.009 2.054 ( 2.005 -1.329 -3.992) 4.661 2.167 ( -0.659 -2.174 0.132) 2.275 2.221 ( -0.807 -1.414 -1.177) 2.009 2.260 ( 0.397 -2.727 -1.087) 2.963 2.367 ( -4.100 -1.708 -0.090) 4.443 2.431 ( -0.747 5.851 1.478) 6.080 2.494 ( -3.089 -1.269 2.011) 3.899 2.499 ( 2.808 -0.885 0.855) 3.066 2.563 ( 3.143 0.311 -1.239) 3.393 2.595 ( -0.503 -0.813 0.083) 0.960 2.750 ( -2.998 2.291 1.040) 3.914 2.848 ( 0.529 -2.172 -4.834) 5.326 2.882 ( -0.351 1.717 -1.065) 2.051 3.123 ( 2.603 0.736 0.045) 2.706 3.240 ( -2.616 -1.020 -0.342) 2.829 3.263 ( -3.160 -0.070 -0.122) 3.164 3.295 ( 0.494 -1.863 1.230) 2.286 3.459 ( -0.756 -2.522 1.764) 3.169 3.733 ( -3.152 -1.091 1.860) 3.819 3.782 ( -2.123 0.588 4.058) 4.617 3.896 ( -0.996 -0.103 -1.012) 1.424 4.026 ( -1.548 -1.444 -1.084) 2.379 4.057 ( 0.088 -0.159 0.942) 0.959 4.210 ( 6.404 -4.265 -1.614) 7.862 4.270 ( -0.436 -1.313 -2.338) 2.717 4.303 ( 1.342 -0.516 1.801) 2.305 4.431 ( -0.629 0.835 1.768) 2.054 4.537 ( 1.557 4.673 -6.345) 8.032 4.623 ( 6.287 1.704 0.180) 6.516 4.669 ( 5.953 1.375 0.357) 6.120 5.022 ( -3.299 -3.341 0.120) 4.697 5.236 ( 3.526 5.987 -0.305) 6.955 5.435 ( -7.559 -4.177 -1.389) 8.747 5.500 ( -3.127 2.815 1.348) 4.418 5.602 ( -3.697 3.829 -0.542) 5.351 5.743 ( -0.394 4.742 -1.902) 5.124 5.938 ( 2.854 -2.348 -1.095) 3.855 6.104 ( 8.216 4.301 4.878) 10.478 6.327 ( -6.239 -3.411 2.556) 7.556 6.790 ( 5.962 -5.374 -1.507) 8.167 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( -4.146 9.792 3.133) 11.086 0.372 ( -6.375 10.962 4.292) 13.388 0.689 ( -3.172 2.709 1.322) 4.376 0.716 ( -8.893 14.145 4.630) 17.338 0.799 ( -3.420 8.875 2.363) 9.800 0.906 ( -2.362 -0.343 0.379) 2.416 1.040 ( 0.120 3.673 1.376) 3.924 1.226 ( 2.755 -1.896 -3.449) 4.804 1.255 ( 2.046 -3.342 -0.112) 3.920 1.309 ( 2.586 1.423 -0.006) 2.951 1.439 ( 0.308 0.100 0.479) 0.578 1.477 ( 0.265 -7.038 1.320) 7.166 1.519 ( 2.024 0.784 0.912) 2.354 1.606 ( 3.148 -0.230 4.474) 5.475 1.699 ( -1.432 -4.436 -0.406) 4.679 1.736 ( -2.729 -4.932 -1.034) 5.731 1.816 ( 2.159 -0.915 -0.618) 2.425 1.821 ( -2.443 0.716 -5.148) 5.744 1.915 ( 5.255 2.085 2.558) 6.206 2.011 ( 2.573 -2.761 0.747) 3.847 2.075 ( 2.891 -0.832 1.023) 3.178 2.181 ( -1.427 -1.438 2.864) 3.508 2.220 ( 0.603 3.996 -0.853) 4.130 2.243 ( 2.227 -0.192 -1.397) 2.635 2.318 ( -1.917 2.193 2.185) 3.642 2.386 ( -4.537 -0.275 -3.088) 5.496 2.416 ( -3.315 5.486 1.982) 6.709 2.536 ( -0.409 0.530 -0.905) 1.126 2.582 ( -0.461 -4.043 -0.445) 4.093 2.637 ( 3.165 1.127 -1.865) 3.842 2.723 ( -1.380 3.062 3.571) 4.902 2.816 ( -0.055 -1.051 7.862) 7.932 2.874 ( -0.571 0.360 -2.576) 2.663 3.164 ( -0.674 -0.149 0.205) 0.720 3.176 ( -1.361 1.057 1.198) 2.099 3.210 ( -1.542 0.751 -0.788) 1.887 3.315 ( -1.397 -5.254 0.284) 5.444 3.422 ( -4.872 -4.151 0.016) 6.400 3.693 ( -1.684 -0.282 -0.918) 1.939 3.761 ( -2.401 0.277 -0.480) 2.464 3.883 ( -0.402 -0.091 1.111) 1.185 3.976 ( -0.182 -0.170 -1.247) 1.272 4.085 ( 0.741 -1.803 0.417) 1.993 4.242 ( 1.290 -2.198 -1.566) 2.991 4.280 ( 2.611 -3.551 -2.674) 5.156 4.359 ( -0.361 -0.441 1.601) 1.700 4.439 ( 5.199 1.792 -2.272) 5.951 4.508 ( 0.878 3.451 -2.273) 4.224 4.736 ( 5.018 -7.297 1.070) 8.920 4.774 ( 4.530 -5.954 0.250) 7.485 4.984 ( -0.152 0.665 0.437) 0.810 5.262 ( -7.561 -4.138 -0.030) 8.619 5.315 ( 2.860 11.036 -0.890) 11.435 5.455 ( -3.811 6.282 1.253) 7.453 5.543 ( -2.364 2.655 1.588) 3.893 5.740 ( 0.361 3.266 1.096) 3.464 5.942 ( 1.729 -2.649 -3.051) 4.395 6.255 ( -4.716 -4.968 4.965) 8.460 6.320 ( 6.658 5.409 1.783) 8.761 6.826 ( 4.598 -0.055 -10.009) 11.014 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 2.768 8.997 5.080) 10.696 0.617 ( -1.339 8.133 4.801) 9.538 0.764 ( 2.367 1.380 5.579) 6.216 0.817 ( 2.472 1.751 -5.404) 6.195 0.852 ( -0.219 0.028 2.672) 2.681 1.074 ( 1.190 0.717 3.210) 3.498 1.109 ( -0.201 -1.394 -3.778) 4.032 1.193 ( 1.030 5.244 -1.132) 5.463 1.259 ( -3.408 11.501 7.440) 14.115 1.289 ( -2.490 -4.205 -0.962) 4.981 1.370 ( -0.097 0.887 -2.637) 2.784 1.464 ( -0.836 -3.283 -4.905) 5.961 1.531 ( 2.297 -2.061 2.351) 3.880 1.571 ( -0.759 -0.016 2.936) 3.033 1.630 ( -3.171 -0.201 1.142) 3.376 1.681 ( 1.968 -1.825 2.327) 3.552 1.757 ( -0.384 -1.570 -4.656) 4.929 1.856 ( 0.016 -2.634 1.663) 3.115 1.945 ( -0.240 1.540 5.065) 5.299 2.071 ( 1.505 -3.052 -0.671) 3.468 2.082 ( 0.933 -0.084 0.543) 1.083 2.180 ( 1.172 5.580 -2.960) 6.425 2.263 ( -3.056 3.466 0.758) 4.683 2.313 ( -0.523 -1.837 -2.733) 3.334 2.378 ( 2.736 4.186 0.343) 5.013 2.443 ( 4.435 0.707 0.559) 4.525 2.481 ( -0.849 2.820 2.187) 3.668 2.514 ( -2.962 0.212 3.618) 4.680 2.553 ( -0.317 3.686 2.318) 4.366 2.726 ( -0.584 3.444 0.700) 3.563 2.799 ( -2.820 -0.821 1.401) 3.254 2.857 ( 1.269 3.964 -0.459) 4.187 2.887 ( 3.536 -2.280 6.026) 7.349 3.095 ( -1.258 -4.906 -0.665) 5.108 3.144 ( -0.444 0.026 -0.281) 0.526 3.205 ( 0.062 -0.294 0.168) 0.345 3.259 ( 1.203 0.426 2.214) 2.555 3.364 ( -1.000 -1.515 -0.244) 1.831 3.643 ( -0.586 0.469 -4.423) 4.486 3.675 ( -2.026 -0.690 -3.776) 4.340 3.890 ( 0.193 -0.578 0.793) 1.001 4.000 ( 2.043 -0.716 -0.348) 2.192 4.020 ( -1.083 -2.786 -0.461) 3.025 4.182 ( 1.725 -5.376 -2.260) 6.082 4.248 ( -0.402 0.167 -1.122) 1.203 4.329 ( -2.017 -1.302 0.518) 2.456 4.471 ( -1.954 -0.478 -0.314) 2.036 4.521 ( 4.370 -4.855 -1.872) 6.795 4.615 ( 0.184 -5.365 2.043) 5.744 4.648 ( 0.633 -6.949 1.747) 7.193 5.093 ( 0.888 0.855 0.680) 1.408 5.121 ( -0.582 -0.004 0.183) 0.610 5.519 ( -1.494 6.461 0.679) 6.666 5.585 ( 1.378 5.048 -1.782) 5.528 5.630 ( 0.793 6.781 3.347) 7.603 5.742 ( -0.453 0.322 1.032) 1.172 5.884 ( 3.444 -5.099 -0.792) 6.204 6.026 ( -5.970 -7.045 -3.888) 10.020 6.502 ( -0.963 7.978 1.339) 8.146 6.820 ( 1.832 -1.443 -6.042) 6.477 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 3.249 5.324 3.108) 6.968 0.718 ( 1.706 3.843 5.459) 6.891 0.797 ( 3.431 0.855 -2.106) 4.116 0.862 ( 4.623 6.218 -1.153) 7.833 0.932 ( -1.025 -0.819 5.507) 5.662 1.050 ( 0.665 -3.127 -2.713) 4.193 1.088 ( -5.597 2.101 -2.305) 6.408 1.183 ( 3.923 -1.578 -0.911) 4.325 1.222 ( -2.685 4.587 0.008) 5.315 1.274 ( -0.808 2.210 1.064) 2.582 1.323 ( -1.859 0.888 3.581) 4.131 1.462 ( 1.645 1.100 -1.392) 2.419 1.561 ( -0.054 -0.904 -1.374) 1.646 1.579 ( -1.922 1.184 1.037) 2.485 1.667 ( 2.536 -1.395 0.672) 2.972 1.688 ( 2.498 -0.392 -0.690) 2.621 1.792 ( -0.871 -3.255 7.405) 8.135 1.873 ( -5.610 1.788 -0.568) 5.915 1.920 ( -4.721 -0.392 2.922) 5.566 1.944 ( -1.719 -0.009 -2.057) 2.681 2.109 ( 0.170 0.395 -2.466) 2.503 2.191 ( 1.893 0.717 1.216) 2.362 2.229 ( -0.639 -1.958 -3.016) 3.652 2.313 ( -0.129 -2.127 0.071) 2.132 2.372 ( -6.873 2.978 -1.836) 7.712 2.424 ( 0.301 2.305 -1.154) 2.595 2.485 ( -3.625 3.279 2.458) 5.471 2.538 ( 1.815 1.188 3.438) 4.065 2.575 ( -2.583 3.614 2.238) 4.974 2.710 ( 1.097 2.489 1.877) 3.304 2.787 ( -0.682 2.768 0.683) 2.932 2.894 ( 1.133 -0.234 -0.821) 1.419 2.980 ( -1.202 -4.072 6.273) 7.575 3.086 ( 0.629 -6.454 -0.714) 6.524 3.165 ( 2.684 0.581 -0.613) 2.813 3.233 ( 2.691 1.173 0.143) 2.939 3.313 ( 0.702 -0.954 2.552) 2.813 3.332 ( -0.682 -1.498 -1.211) 2.043 3.595 ( 1.064 0.691 -4.001) 4.198 3.622 ( 1.351 -0.867 -3.422) 3.780 3.900 ( -0.039 -1.056 0.483) 1.162 4.001 ( 0.947 -2.652 -0.844) 2.940 4.046 ( 1.515 1.286 1.090) 2.266 4.130 ( -0.990 -2.444 -4.586) 5.290 4.269 ( -0.816 -2.195 0.403) 2.376 4.294 ( 0.120 -2.993 1.435) 3.322 4.433 ( -1.597 1.156 -0.610) 2.063 4.592 ( 4.504 -3.932 -2.239) 6.385 4.643 ( -0.870 -2.341 0.365) 2.524 4.670 ( 2.205 -4.408 1.173) 5.067 5.040 ( -3.775 2.288 0.640) 4.460 5.197 ( 5.208 -3.598 0.081) 6.331 5.480 ( -3.179 7.628 -0.121) 8.265 5.615 ( -0.071 4.464 -0.608) 4.506 5.623 ( -0.786 1.869 3.277) 3.854 5.809 ( 1.682 -0.940 1.228) 2.285 5.838 ( -3.342 -2.404 -5.409) 6.797 6.026 ( 9.398 -6.469 1.533) 11.512 6.447 ( -7.611 9.074 2.947) 12.204 6.733 ( -3.295 -1.496 -5.577) 6.648 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.241 3.420 -0.889) 3.542 0.782 ( 2.242 0.302 0.572) 2.334 0.882 ( 4.506 5.995 0.406) 7.511 0.907 ( -0.865 -0.392 -0.383) 1.024 0.949 ( 3.382 7.179 -1.128) 8.015 0.974 ( 1.742 -0.873 0.356) 1.981 1.078 ( 2.827 -0.915 0.281) 2.985 1.187 ( -1.436 2.789 -0.847) 3.249 1.262 ( -2.500 -0.303 -3.810) 4.567 1.302 ( 1.898 1.449 5.837) 6.307 1.320 ( 2.656 -0.880 1.945) 3.408 1.476 ( -1.834 -0.537 0.917) 2.120 1.539 ( 0.484 -1.220 -0.632) 1.457 1.553 ( -1.001 3.809 0.056) 3.938 1.641 ( -8.896 0.857 1.747) 9.106 1.677 ( -1.556 -3.659 -7.982) 8.917 1.711 ( 1.658 -2.935 1.336) 3.626 1.811 ( -5.313 -0.219 -2.253) 5.775 1.933 ( 1.782 -0.204 8.744) 8.926 2.049 ( 0.404 -3.735 -6.385) 7.408 2.064 ( 2.366 -4.335 6.797) 8.402 2.155 ( -4.033 -3.046 -1.562) 5.289 2.212 ( -4.780 -1.047 -3.173) 5.832 2.236 ( -1.895 4.290 2.913) 5.521 2.287 ( -0.195 -2.499 -1.357) 2.851 2.370 ( -2.198 -1.235 -3.887) 4.633 2.469 ( -1.314 4.712 3.015) 5.746 2.538 ( -2.620 0.364 -0.449) 2.683 2.629 ( 3.094 3.427 2.470) 5.236 2.720 ( -1.609 0.857 -1.513) 2.369 2.774 ( -1.264 1.904 -1.788) 2.902 2.892 ( -0.472 -0.065 2.610) 2.653 2.996 ( -0.833 -4.906 0.175) 4.979 3.075 ( -3.102 -4.302 2.093) 5.702 3.208 ( 2.803 -0.164 -0.002) 2.808 3.275 ( 0.826 0.557 0.123) 1.003 3.324 ( 3.197 -1.140 -0.906) 3.513 3.354 ( 0.431 -1.417 0.655) 1.619 3.581 ( 0.842 1.379 -0.909) 1.854 3.652 ( 2.180 -0.667 1.393) 2.671 3.910 ( 1.177 0.441 -0.004) 1.257 4.004 ( 0.151 -2.678 -2.233) 3.490 4.053 ( 0.120 1.764 -0.689) 1.898 4.126 ( 3.321 0.980 0.373) 3.483 4.236 ( -0.680 -0.698 -0.590) 1.139 4.339 ( 0.603 -1.578 1.280) 2.120 4.398 ( -1.256 1.582 -0.318) 2.045 4.558 ( -1.599 -1.270 -3.812) 4.324 4.671 ( 1.977 0.712 0.445) 2.148 4.742 ( 4.030 -0.238 0.318) 4.050 5.000 ( -0.892 0.318 0.239) 0.977 5.289 ( 4.381 -5.201 0.055) 6.801 5.402 ( -4.670 5.466 -0.616) 7.216 5.591 ( -1.277 0.946 1.577) 2.239 5.680 ( -1.116 -0.024 -3.036) 3.234 5.699 ( 1.839 1.184 -0.340) 2.213 5.880 ( 1.229 2.048 0.901) 2.553 6.230 ( 8.511 -6.368 3.326) 11.138 6.315 ( -10.962 6.780 3.404) 13.331 6.600 ( -4.530 -3.425 -4.585) 7.299 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -1.452 3.156 -0.261) 3.484 0.826 ( 2.811 3.222 -5.349) 6.848 0.894 ( 1.947 2.114 -1.139) 3.091 0.916 ( 0.093 -4.550 0.449) 4.573 0.955 ( 0.258 9.587 0.227) 9.593 1.086 ( 5.427 2.521 -4.785) 7.662 1.147 ( 2.789 3.266 -1.369) 4.508 1.186 ( -2.129 1.265 3.329) 4.149 1.208 ( 5.750 -1.017 -0.078) 5.840 1.345 ( -0.641 -0.426 0.664) 1.016 1.356 ( -3.522 3.753 3.759) 6.373 1.408 ( -2.883 -0.763 2.034) 3.610 1.509 ( -1.368 -1.630 -6.968) 7.286 1.538 ( -0.571 -1.427 -0.972) 1.819 1.609 ( -3.767 -2.823 4.720) 6.666 1.645 ( 1.882 -0.897 -1.492) 2.563 1.678 ( -0.213 -4.943 4.016) 6.373 1.785 ( 2.378 -2.456 1.659) 3.800 1.913 ( -7.421 -2.946 -2.015) 8.234 2.017 ( -0.268 -5.527 -7.142) 9.035 2.043 ( -1.248 -4.425 2.026) 5.024 2.140 ( -0.165 -0.386 -2.422) 2.458 2.172 ( 1.300 -2.669 -1.642) 3.393 2.221 ( -0.528 -2.263 1.829) 2.957 2.292 ( -0.910 -5.313 0.092) 5.392 2.315 ( -1.062 -0.829 1.629) 2.114 2.456 ( -2.260 1.513 -2.045) 3.403 2.505 ( -0.847 2.141 3.235) 3.971 2.634 ( -0.964 0.616 -8.364) 8.442 2.685 ( 1.517 3.635 -0.517) 3.973 2.733 ( -1.408 0.234 2.197) 2.620 2.926 ( 1.367 1.862 -0.693) 2.412 2.971 ( -0.591 -6.164 -1.135) 6.296 3.043 ( -3.588 -0.446 3.054) 4.733 3.237 ( 0.821 -0.675 -1.090) 1.523 3.312 ( 2.696 -0.759 1.637) 3.244 3.336 ( -0.233 -2.299 -2.497) 3.402 3.380 ( 0.531 -0.795 1.855) 2.086 3.605 ( 0.062 2.047 3.506) 4.060 3.700 ( -0.407 -0.716 3.940) 4.025 3.938 ( 1.662 1.202 0.104) 2.053 3.975 ( 0.394 -1.020 -2.078) 2.348 4.063 ( 0.749 3.031 0.128) 3.125 4.179 ( 1.425 -0.960 -0.127) 1.723 4.270 ( 3.177 3.527 2.853) 5.538 4.309 ( -1.437 1.361 -1.929) 2.764 4.401 ( -0.464 0.129 -0.369) 0.607 4.514 ( 0.278 -1.394 0.357) 1.466 4.692 ( 0.502 6.723 -0.462) 6.758 4.802 ( 2.360 6.341 -0.291) 6.772 5.024 ( 3.534 -3.406 0.046) 4.908 5.246 ( -7.089 4.849 -0.445) 8.600 5.412 ( 5.272 -9.836 -1.004) 11.205 5.585 ( -3.415 -3.649 -2.817) 5.737 5.620 ( 0.959 2.178 3.605) 4.320 5.791 ( 4.308 5.407 1.323) 7.039 5.877 ( -0.553 4.060 -1.612) 4.403 6.139 ( -10.303 5.001 0.486) 11.463 6.386 ( 3.593 -7.567 3.537) 9.093 6.490 ( -2.377 -6.018 -3.001) 7.132 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.653 2.810 0.202) 2.892 0.772 ( -0.518 2.269 -5.154) 5.655 0.856 ( -0.391 0.550 -3.331) 3.398 0.925 ( -0.426 -2.124 -2.096) 3.014 1.027 ( 6.477 3.299 -0.618) 7.295 1.063 ( -4.960 0.850 -4.417) 6.696 1.129 ( 3.171 0.234 -2.197) 3.865 1.211 ( -1.585 4.336 2.494) 5.247 1.260 ( -3.473 4.344 -0.791) 5.618 1.296 ( 2.451 -0.578 0.923) 2.682 1.392 ( -0.371 0.530 1.258) 1.415 1.416 ( -0.142 -0.575 2.276) 2.351 1.493 ( 4.449 -2.513 -0.008) 5.110 1.517 ( -2.124 2.717 2.719) 4.392 1.566 ( 0.114 -0.122 1.678) 1.686 1.642 ( -5.348 -3.607 -0.207) 6.454 1.777 ( 2.485 -2.065 -1.419) 3.529 1.801 ( 2.284 -2.992 0.114) 3.766 1.877 ( 0.320 -4.531 9.164) 10.228 1.932 ( -2.109 -4.535 -5.093) 7.138 1.977 ( 0.568 0.466 -9.149) 9.179 2.120 ( 1.670 -7.607 -0.506) 7.805 2.181 ( -0.911 -4.067 -2.786) 5.013 2.229 ( 1.090 -9.877 -1.447) 10.042 2.260 ( -2.081 -5.105 0.007) 5.513 2.331 ( 2.127 -0.023 2.289) 3.125 2.414 ( -1.390 3.315 -0.905) 3.706 2.530 ( 1.543 -1.851 -8.942) 9.261 2.536 ( -0.247 1.524 3.432) 3.763 2.681 ( -0.590 1.990 -0.999) 2.303 2.772 ( 1.595 1.869 2.600) 3.577 2.891 ( -1.287 -0.371 -3.796) 4.026 2.977 ( 0.391 0.315 0.792) 0.938 3.018 ( -1.201 -1.314 0.517) 1.854 3.237 ( 0.531 -0.965 -0.908) 1.427 3.296 ( -1.007 -1.671 -1.963) 2.768 3.356 ( -0.648 -0.354 0.664) 0.993 3.395 ( 0.590 -1.833 0.664) 2.037 3.662 ( -0.437 1.533 6.738) 6.924 3.733 ( -1.856 -0.932 5.338) 5.728 3.957 ( 0.299 -0.033 -0.549) 0.626 3.979 ( 1.872 -1.275 -1.017) 2.483 4.075 ( -0.066 4.444 1.239) 4.614 4.192 ( -0.032 -0.937 -0.242) 0.968 4.250 ( -1.290 0.021 -1.047) 1.661 4.350 ( -1.321 -1.051 -3.376) 3.774 4.409 ( 3.297 5.774 6.964) 9.628 4.549 ( -0.062 2.778 1.939) 3.388 4.694 ( 0.882 10.265 -0.326) 10.308 4.808 ( -0.586 9.374 -1.465) 9.506 5.099 ( -1.343 -2.128 0.127) 2.520 5.137 ( 1.778 0.814 -0.579) 2.039 5.481 ( 1.543 -7.998 -0.650) 8.171 5.501 ( -1.211 -6.350 -2.353) 6.880 5.688 ( 0.669 1.149 5.124) 5.294 5.802 ( -1.874 5.872 -0.422) 6.178 5.909 ( 4.839 6.667 -2.447) 8.593 5.981 ( -5.139 -0.860 -1.620) 5.457 6.414 ( -3.563 -5.475 1.367) 6.674 6.482 ( 3.828 -7.119 -0.340) 8.090 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.774 0.592 -1.254) 1.589 0.710 ( -2.308 2.173 -3.260) 4.547 0.808 ( -0.385 2.909 -4.112) 5.052 0.855 ( -5.908 -2.566 -5.535) 8.493 0.882 ( 0.433 -2.719 -4.618) 5.377 1.112 ( 2.872 0.559 -3.754) 4.760 1.200 ( -1.377 0.802 0.006) 1.594 1.210 ( 1.355 2.757 7.105) 7.741 1.227 ( -1.007 3.943 3.154) 5.149 1.303 ( -2.241 5.137 2.841) 6.283 1.428 ( -3.279 -1.754 -0.931) 3.833 1.438 ( 4.738 -1.958 -0.029) 5.126 1.492 ( 0.130 0.261 2.977) 2.992 1.542 ( -1.275 6.104 -0.505) 6.256 1.610 ( 5.069 1.019 -0.489) 5.194 1.630 ( 1.857 -3.730 2.468) 4.843 1.719 ( -6.333 -0.156 -6.350) 8.969 1.805 ( 1.302 -1.420 0.377) 1.963 1.860 ( -0.239 0.056 -0.614) 0.661 1.959 ( 3.859 -5.151 -4.841) 8.053 2.005 ( 1.299 -1.934 0.460) 2.374 2.084 ( 1.134 -5.222 3.144) 6.200 2.172 ( 1.874 -4.297 -3.901) 6.098 2.240 ( 3.598 -7.509 -1.701) 8.498 2.286 ( 2.829 -4.199 1.600) 5.310 2.358 ( -2.519 0.032 -1.386) 2.875 2.397 ( 1.902 -1.413 0.131) 2.373 2.491 ( 3.120 -2.068 -4.225) 5.644 2.589 ( 1.327 0.016 2.664) 2.976 2.650 ( -0.391 0.349 -1.278) 1.381 2.812 ( -2.758 2.349 -3.041) 4.730 2.824 ( 1.044 2.236 1.137) 2.717 2.961 ( -1.766 0.501 -0.960) 2.071 3.050 ( 3.254 -1.926 0.991) 3.908 3.227 ( -0.815 -0.806 -0.431) 1.225 3.267 ( -0.133 -1.572 -1.136) 1.944 3.320 ( -2.733 -0.057 -0.336) 2.754 3.411 ( 0.079 -2.811 0.520) 2.860 3.730 ( -1.629 0.399 6.584) 6.794 3.753 ( -2.435 -0.409 5.327) 5.872 3.937 ( -1.086 0.151 -1.438) 1.808 4.001 ( 1.961 -3.068 -1.363) 3.888 4.093 ( -0.616 3.928 2.403) 4.646 4.151 ( -2.379 -0.055 -1.885) 3.036 4.252 ( 0.437 -0.833 1.616) 1.870 4.291 ( -1.210 -1.555 -2.305) 3.032 4.483 ( -2.761 5.350 2.255) 6.429 4.590 ( 3.586 5.074 2.915) 6.863 4.703 ( -1.103 7.869 0.333) 7.953 4.752 ( -2.373 8.897 -2.945) 9.667 5.020 ( -3.590 -3.377 -0.050) 4.929 5.248 ( 6.741 4.500 -0.357) 8.112 5.409 ( -3.931 -10.091 -1.194) 10.896 5.523 ( 1.840 -2.089 -0.818) 2.902 5.728 ( -1.870 2.731 0.806) 3.407 5.810 ( 1.185 0.039 4.888) 5.030 5.860 ( -2.133 2.182 -1.699) 3.492 6.020 ( 7.919 1.385 -3.791) 8.889 6.348 ( -5.016 -2.739 1.416) 5.888 6.567 ( 5.775 -6.529 0.082) 8.717 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -3.574 4.912 -7.826) 9.907 0.620 ( -3.789 5.020 0.276) 6.296 0.772 ( -0.725 -3.853 -3.636) 5.347 0.796 ( 0.573 6.192 -1.134) 6.321 0.852 ( -0.004 -2.903 1.630) 3.329 1.110 ( -0.301 2.956 -0.373) 2.995 1.175 ( -0.134 3.176 -1.525) 3.526 1.234 ( -0.657 3.765 0.104) 3.823 1.258 ( -3.296 0.181 1.344) 3.564 1.342 ( -0.560 -0.936 2.931) 3.127 1.381 ( -1.627 -0.116 5.459) 5.697 1.439 ( -2.616 7.531 -5.428) 9.645 1.503 ( -0.995 -0.401 -0.167) 1.086 1.526 ( 3.164 -0.754 -0.486) 3.289 1.614 ( -1.843 -1.792 4.252) 4.969 1.688 ( 3.408 -3.043 -2.177) 5.061 1.721 ( 4.063 -1.708 -0.769) 4.474 1.799 ( 2.347 -0.260 -0.429) 2.400 1.873 ( 1.049 -0.364 3.134) 3.325 1.973 ( 3.214 -1.745 -2.303) 4.322 2.050 ( 1.649 0.602 -1.286) 2.176 2.120 ( 1.189 -2.179 -5.658) 6.179 2.170 ( 4.932 -0.962 -0.840) 5.094 2.261 ( 0.379 3.057 -0.725) 3.164 2.343 ( 1.043 -2.871 2.546) 3.977 2.398 ( 5.457 -6.475 2.457) 8.817 2.423 ( 1.232 -4.259 -0.775) 4.500 2.519 ( 1.995 -0.050 -0.094) 1.998 2.584 ( -2.552 4.298 1.199) 5.140 2.663 ( 1.117 2.728 -2.539) 3.891 2.770 ( 1.598 -1.876 0.130) 2.468 2.800 ( -2.908 0.098 -2.059) 3.564 2.923 ( -1.356 2.657 -0.432) 3.015 3.119 ( 1.928 -1.839 1.780) 3.204 3.213 ( -0.208 -1.229 -0.245) 1.270 3.250 ( -1.499 -2.073 0.037) 2.559 3.266 ( -2.282 -0.286 -0.911) 2.474 3.404 ( -2.052 -3.180 1.090) 3.938 3.726 ( -3.128 0.491 2.311) 3.920 3.783 ( -2.115 -0.469 4.121) 4.656 3.899 ( -0.972 0.445 -1.250) 1.645 4.010 ( 0.362 -1.813 -1.026) 2.114 4.070 ( -2.720 1.630 -0.418) 3.199 4.128 ( 1.749 -2.263 -0.738) 2.953 4.251 ( -0.759 -0.823 -0.539) 1.242 4.297 ( 1.429 -0.355 2.574) 2.965 4.448 ( -1.076 1.783 -0.876) 2.259 4.623 ( -2.517 4.165 -2.626) 5.530 4.674 ( -0.078 0.526 0.037) 0.533 4.685 ( -3.535 2.307 -0.151) 4.224 4.988 ( 0.072 -0.170 0.087) 0.204 5.276 ( -4.059 -4.783 -0.230) 6.278 5.402 ( 5.662 4.143 -1.225) 7.122 5.544 ( 0.682 1.408 0.849) 1.780 5.683 ( -2.892 4.166 -0.382) 5.086 5.813 ( -1.719 2.787 -0.690) 3.347 5.884 ( 1.701 -3.281 -0.108) 3.697 6.117 ( 1.463 -5.136 3.838) 6.576 6.323 ( 2.732 5.056 0.922) 5.821 6.679 ( 7.506 -5.973 -1.395) 9.693 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -0.789 8.067 2.187) 8.395 0.608 ( -0.658 12.090 2.821) 12.433 0.727 ( -1.955 -1.613 1.819) 3.120 0.780 ( 0.468 0.941 -1.326) 1.692 0.894 ( 0.572 2.995 0.513) 3.092 1.048 ( -1.140 2.286 -4.158) 4.880 1.157 ( -0.265 -1.452 -2.762) 3.131 1.191 ( -0.111 3.118 -1.043) 3.290 1.232 ( -4.581 8.977 7.474) 12.547 1.339 ( -3.633 3.444 1.630) 5.264 1.382 ( 0.924 -1.825 -3.419) 3.984 1.422 ( 2.926 -3.971 1.788) 5.247 1.498 ( 0.573 -2.688 0.426) 2.781 1.590 ( 1.462 -1.538 4.453) 4.933 1.659 ( -1.249 0.945 -0.937) 1.825 1.699 ( 0.967 1.058 -0.984) 1.739 1.759 ( -0.399 -2.056 -0.099) 2.097 1.819 ( 3.117 -1.171 -0.568) 3.378 1.935 ( -2.301 -3.132 3.056) 4.944 1.978 ( 3.028 -1.540 -2.876) 4.451 2.077 ( 6.094 3.072 0.205) 6.828 2.112 ( 2.033 -2.434 -2.356) 3.951 2.274 ( 6.478 2.098 1.277) 6.928 2.330 ( 3.299 6.175 3.328) 7.751 2.353 ( -1.858 2.417 0.288) 3.062 2.395 ( -2.533 0.721 -4.191) 4.950 2.462 ( 1.909 -7.305 -0.419) 7.562 2.538 ( -2.665 2.149 1.606) 3.781 2.555 ( -1.129 3.460 0.861) 3.740 2.678 ( 3.512 3.983 -0.716) 5.358 2.762 ( 0.375 -1.794 4.180) 4.564 2.817 ( 1.070 -0.345 0.799) 1.379 2.889 ( -1.815 3.443 -0.956) 4.008 3.136 ( -2.341 -3.053 1.095) 4.000 3.185 ( -2.819 -0.243 -0.226) 2.838 3.220 ( -1.985 -1.897 1.058) 2.943 3.234 ( 0.286 0.007 -1.128) 1.164 3.378 ( -1.431 -2.206 0.698) 2.720 3.694 ( -1.446 0.446 -0.990) 1.808 3.755 ( -3.345 -0.689 -0.426) 3.441 3.883 ( -0.193 0.110 0.143) 0.264 3.989 ( 0.023 0.731 -1.635) 1.791 4.042 ( -0.868 -2.306 0.170) 2.470 4.155 ( 2.819 -4.929 -1.752) 5.942 4.252 ( 0.829 0.057 0.311) 0.887 4.348 ( -0.637 -0.587 1.849) 2.042 4.440 ( 2.935 -0.777 -1.210) 3.268 4.551 ( -1.797 1.039 -2.854) 3.529 4.620 ( -2.954 -4.184 0.903) 5.200 4.648 ( -2.094 -7.085 -0.199) 7.391 5.023 ( 3.316 2.618 0.386) 4.243 5.190 ( -4.747 -3.559 -0.005) 5.933 5.494 ( 4.267 7.712 0.117) 8.814 5.568 ( 0.743 5.076 1.780) 5.430 5.622 ( -1.926 4.973 -2.277) 5.798 5.773 ( -2.799 1.535 0.714) 3.271 5.876 ( 0.321 -4.130 -2.419) 4.797 6.128 ( -5.086 -8.095 3.986) 10.358 6.441 ( 6.330 7.209 0.695) 9.619 6.789 ( 7.664 -3.656 -3.908) 9.348 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 2.634 2.302 9.447) 10.074 0.713 ( 1.095 -0.600 5.526) 5.666 0.750 ( -2.551 2.681 0.969) 3.826 0.806 ( -2.361 -2.773 -3.653) 5.159 0.926 ( 4.151 6.187 -1.780) 7.660 1.016 ( 3.211 -3.331 -5.255) 7.002 1.099 ( -0.927 1.580 0.368) 1.869 1.170 ( -0.283 -5.232 -0.175) 5.243 1.324 ( -2.073 2.599 -1.573) 3.678 1.347 ( -1.803 -0.990 -1.363) 2.467 1.445 ( 2.113 1.762 0.830) 2.874 1.478 ( 3.838 -0.843 3.666) 5.374 1.505 ( -1.556 6.379 2.804) 7.140 1.581 ( -1.417 -0.919 0.883) 1.906 1.649 ( -1.473 1.619 -0.008) 2.189 1.677 ( 0.307 0.812 -0.620) 1.067 1.739 ( -2.292 -0.799 -1.596) 2.906 1.768 ( -2.154 -3.558 0.727) 4.223 2.012 ( 2.525 2.791 7.218) 8.140 2.021 ( 2.705 -0.106 3.598) 4.503 2.117 ( -0.782 3.688 -0.308) 3.782 2.224 ( 0.411 -3.107 -2.349) 3.917 2.282 ( -1.327 -0.993 -0.320) 1.688 2.296 ( -2.547 -1.277 -3.609) 4.598 2.401 ( 2.291 1.501 -2.209) 3.519 2.437 ( 3.756 -0.144 -1.500) 4.047 2.514 ( 0.642 3.613 2.573) 4.482 2.564 ( -0.997 -0.054 1.223) 1.578 2.650 ( 1.419 5.491 5.056) 7.598 2.738 ( 0.793 -4.012 4.158) 5.832 2.783 ( -3.411 2.651 0.986) 4.431 2.838 ( 0.917 -2.758 1.732) 3.383 2.954 ( -1.160 3.984 1.011) 4.271 3.013 ( -2.045 -3.246 -0.188) 3.841 3.163 ( 1.804 1.932 -1.501) 3.040 3.198 ( 1.679 -1.042 -0.645) 2.078 3.278 ( -0.646 1.678 2.212) 2.850 3.321 ( -1.166 -2.731 0.926) 3.110 3.653 ( -0.647 0.518 -4.446) 4.523 3.663 ( -1.579 -0.624 -4.026) 4.370 3.889 ( 0.440 0.899 -0.581) 1.157 3.933 ( 0.787 -3.742 -1.689) 4.180 4.037 ( 0.550 2.442 0.656) 2.587 4.097 ( 0.521 -3.852 0.151) 3.890 4.265 ( -1.774 1.549 -1.526) 2.806 4.298 ( -2.177 -1.872 -0.410) 2.901 4.429 ( 1.338 -1.866 -0.312) 2.317 4.447 ( 0.585 -3.165 -1.716) 3.648 4.562 ( 1.327 0.004 2.464) 2.798 4.583 ( 1.597 -1.752 2.447) 3.407 5.107 ( 0.108 0.634 0.554) 0.849 5.117 ( -0.025 -0.407 0.436) 0.597 5.606 ( -0.339 3.204 -1.500) 3.554 5.635 ( 0.708 0.441 -2.528) 2.662 5.738 ( 2.216 3.869 1.286) 4.641 5.779 ( -3.236 2.155 -0.251) 3.896 5.806 ( 2.972 -1.381 0.578) 3.328 5.893 ( -4.512 -6.726 -1.744) 8.285 6.642 ( 0.097 6.964 0.479) 6.981 6.756 ( 0.649 -5.030 -1.940) 5.430 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.789 1.856 1.873) 2.752 0.738 ( -0.369 -0.879 1.374) 1.672 0.831 ( 2.656 2.678 3.866) 5.401 0.885 ( 0.961 -3.175 5.772) 6.657 0.951 ( 4.740 3.051 -3.644) 6.712 0.996 ( 2.919 -2.492 -4.163) 5.662 1.109 ( -0.121 2.250 1.787) 2.876 1.163 ( 0.783 -2.703 -1.111) 3.025 1.265 ( -2.897 1.978 -0.742) 3.585 1.283 ( -3.342 0.375 0.249) 3.372 1.413 ( -0.927 3.772 -1.456) 4.148 1.475 ( 0.148 -1.859 -5.424) 5.736 1.541 ( 0.645 1.474 0.239) 1.627 1.588 ( -0.265 -2.153 0.727) 2.288 1.680 ( 0.618 3.499 0.046) 3.553 1.718 ( -0.412 2.082 1.625) 2.673 1.767 ( 1.311 0.877 11.145) 11.256 1.805 ( 1.022 -4.882 8.304) 9.687 1.956 ( -6.552 2.399 -7.490) 10.236 1.992 ( -5.042 -0.366 -3.334) 6.055 2.104 ( -4.304 4.418 2.451) 6.637 2.184 ( -1.412 -0.505 -4.190) 4.450 2.210 ( -2.018 -3.755 0.533) 4.296 2.244 ( -2.690 -4.835 -2.408) 6.034 2.402 ( -0.342 5.085 0.363) 5.109 2.486 ( 1.063 -1.792 1.289) 2.450 2.543 ( -0.711 1.973 1.373) 2.507 2.562 ( -1.843 2.194 1.881) 3.428 2.656 ( -7.496 5.567 2.804) 9.749 2.745 ( -1.770 -0.009 2.517) 3.077 2.805 ( 1.536 -0.211 2.885) 3.275 2.840 ( -0.524 -4.616 3.171) 5.624 2.953 ( -0.657 1.197 0.833) 1.600 2.993 ( 0.249 -3.272 -2.014) 3.850 3.191 ( 2.613 2.104 -1.308) 3.601 3.230 ( 2.576 -1.496 -0.666) 3.053 3.298 ( 0.014 -0.449 2.405) 2.447 3.305 ( -1.657 -1.117 1.225) 2.344 3.607 ( 1.530 0.539 -4.048) 4.361 3.614 ( 1.528 -0.234 -3.751) 4.057 3.900 ( 1.740 1.265 -0.660) 2.250 3.943 ( 1.967 -3.101 -1.221) 3.869 4.077 ( 2.293 1.885 1.133) 3.177 4.105 ( 0.670 -0.820 -0.427) 1.142 4.233 ( -0.389 -0.599 0.215) 0.746 4.252 ( -1.120 -1.879 -0.928) 2.376 4.456 ( 2.712 1.723 -0.848) 3.323 4.511 ( 5.961 -4.104 -0.999) 7.306 4.622 ( 1.776 -0.435 0.159) 1.836 4.627 ( 2.484 -0.704 0.431) 2.618 5.084 ( -2.363 2.553 0.540) 3.520 5.136 ( 0.858 -2.981 0.206) 3.109 5.586 ( -0.290 3.934 -0.524) 3.980 5.633 ( 1.548 -1.088 -0.461) 1.947 5.685 ( -4.825 3.344 -1.052) 5.964 5.751 ( -3.694 -3.792 -3.182) 6.177 5.852 ( 3.564 2.614 1.623) 4.709 5.919 ( 6.827 -4.672 2.102) 8.536 6.591 ( -6.544 6.289 0.841) 9.115 6.684 ( -5.475 -3.757 -2.159) 6.982 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -0.165 1.689 0.149) 1.704 0.774 ( 2.073 -0.556 1.821) 2.815 0.898 ( 0.166 0.055 0.276) 0.327 0.919 ( 3.616 -1.961 5.191) 6.624 0.981 ( 1.286 3.394 -3.879) 5.312 1.034 ( 5.210 -1.558 -1.984) 5.788 1.106 ( 1.651 5.823 -1.713) 6.290 1.206 ( 3.082 -4.011 -2.076) 5.468 1.248 ( -0.213 1.726 2.832) 3.323 1.283 ( 0.425 -1.774 2.930) 3.452 1.399 ( 0.101 6.116 2.412) 6.576 1.467 ( -0.923 -0.252 1.552) 1.823 1.512 ( -0.107 -1.435 -3.897) 4.154 1.544 ( -3.072 -3.673 -2.915) 5.606 1.666 ( -1.522 4.233 -0.224) 4.504 1.714 ( -5.689 1.163 2.519) 6.330 1.716 ( -6.005 4.582 -4.821) 8.961 1.797 ( -6.581 -2.554 -4.216) 8.222 1.910 ( -0.531 -1.992 6.213) 6.546 1.953 ( 1.052 -5.972 5.001) 7.860 2.029 ( -2.271 3.098 -3.786) 5.393 2.116 ( -2.480 -0.326 0.205) 2.510 2.137 ( -5.118 -4.954 -2.937) 7.704 2.183 ( -2.212 -5.624 2.367) 6.491 2.371 ( -6.054 7.644 1.857) 9.926 2.431 ( -2.482 3.637 -3.459) 5.599 2.518 ( -3.199 -1.622 -1.755) 3.993 2.536 ( -0.722 0.454 -0.437) 0.959 2.656 ( 1.124 0.845 4.431) 4.649 2.704 ( -3.585 -2.963 4.560) 6.513 2.820 ( -1.429 3.256 -4.434) 5.683 2.881 ( 0.524 -2.659 0.147) 2.714 2.939 ( 0.137 1.416 0.026) 1.423 3.000 ( 0.250 -3.832 2.796) 4.750 3.222 ( 2.507 1.740 -0.987) 3.207 3.267 ( 2.323 -2.378 -0.942) 3.455 3.303 ( 0.586 0.372 0.171) 0.715 3.325 ( 0.223 -1.599 1.509) 2.210 3.608 ( 1.318 1.472 -0.208) 1.987 3.634 ( 1.798 -1.281 0.849) 2.365 3.929 ( 2.057 1.410 -0.654) 2.578 3.960 ( 1.369 -2.003 -1.227) 2.719 4.100 ( 1.008 2.843 -1.214) 3.252 4.138 ( 1.887 -0.622 -0.002) 1.987 4.236 ( 1.150 1.763 2.414) 3.203 4.295 ( 2.545 -3.415 4.438) 6.151 4.456 ( -0.289 4.291 -4.330) 6.103 4.525 ( -0.694 -2.626 -5.000) 5.690 4.692 ( 7.230 1.502 0.068) 7.384 4.724 ( 8.396 -1.652 -0.215) 8.560 5.044 ( -2.440 4.470 0.170) 5.095 5.157 ( 1.807 -7.247 -0.099) 7.469 5.525 ( -8.230 6.146 -0.215) 10.273 5.606 ( -5.107 -1.380 1.633) 5.537 5.653 ( 0.872 0.350 -3.613) 3.733 5.698 ( 5.240 -2.321 0.067) 5.731 5.945 ( 3.172 5.541 2.434) 6.833 6.078 ( 5.936 -8.303 4.004) 10.964 6.447 ( -9.469 6.085 -0.258) 11.258 6.536 ( -7.654 -3.743 -2.284) 8.821 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -1.280 4.675 0.870) 4.924 0.826 ( 0.172 -4.288 1.667) 4.604 0.881 ( 1.094 2.360 -5.130) 5.752 0.914 ( 1.254 -0.481 -4.155) 4.367 1.113 ( 4.572 2.099 2.071) 5.440 1.119 ( 3.244 4.768 -4.687) 7.431 1.151 ( 6.971 -2.224 3.450) 8.089 1.179 ( 2.721 0.340 -5.840) 6.452 1.268 ( -1.502 5.054 0.699) 5.319 1.337 ( -0.194 -2.414 1.262) 2.731 1.379 ( -1.189 0.454 -0.532) 1.380 1.430 ( -5.358 1.588 1.882) 5.897 1.444 ( 0.106 -2.405 -1.848) 3.035 1.497 ( -4.437 -2.605 -0.939) 5.230 1.582 ( -4.116 0.168 5.034) 6.505 1.602 ( -3.439 -2.319 0.002) 4.147 1.699 ( 1.792 4.361 3.438) 5.835 1.768 ( 0.749 -1.414 2.914) 3.325 1.868 ( -6.257 0.182 -2.449) 6.722 1.944 ( -4.847 -3.920 -3.353) 7.078 1.951 ( 0.068 -2.418 -0.398) 2.452 2.032 ( -1.449 -9.174 -0.880) 9.330 2.131 ( 0.229 0.752 0.468) 0.915 2.170 ( -2.218 -2.812 -1.188) 3.773 2.276 ( -3.463 3.829 -1.648) 5.419 2.345 ( -3.337 -1.650 -2.059) 4.254 2.473 ( 0.734 3.297 -0.912) 3.499 2.532 ( -0.107 -1.035 0.979) 1.428 2.672 ( -1.009 3.053 -6.163) 6.951 2.718 ( -0.208 -0.884 -0.838) 1.235 2.760 ( -0.108 2.883 2.105) 3.572 2.839 ( -0.282 -5.932 -1.256) 6.070 2.977 ( 0.655 2.560 1.730) 3.159 3.021 ( -1.461 -1.876 2.278) 3.293 3.239 ( 0.981 1.010 -1.650) 2.169 3.277 ( 0.829 -2.761 -1.897) 3.450 3.326 ( 1.471 1.267 0.577) 2.025 3.356 ( 0.950 -1.634 1.438) 2.375 3.641 ( -0.082 1.876 3.799) 4.237 3.675 ( -0.383 -1.705 3.903) 4.276 3.951 ( 1.473 0.653 -1.045) 1.921 3.964 ( 1.068 -0.604 -1.634) 2.043 4.111 ( 1.116 2.057 -0.152) 2.345 4.149 ( 0.587 -2.040 -0.316) 2.146 4.343 ( 3.213 3.705 4.002) 6.330 4.373 ( -1.733 4.177 -2.563) 5.198 4.392 ( 0.915 -0.664 0.438) 1.213 4.464 ( 0.881 -3.907 1.822) 4.400 4.819 ( 6.190 6.169 0.146) 8.740 4.902 ( 11.271 -0.620 -0.087) 11.288 5.005 ( -1.925 6.342 -0.225) 6.632 5.202 ( 3.349 -11.941 -0.577) 12.416 5.353 ( -9.334 6.445 -0.582) 11.358 5.477 ( -7.724 -6.611 -0.937) 10.210 5.704 ( 3.832 5.678 0.590) 6.876 5.804 ( 6.375 -3.973 -0.320) 7.519 5.984 ( -1.727 7.979 0.694) 8.193 6.139 ( -5.950 -6.985 0.959) 9.226 6.324 ( -0.605 2.782 0.392) 2.874 6.397 ( -4.609 -4.197 -1.282) 6.364 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -1.150 4.111 0.197) 4.274 0.790 ( -2.706 -1.520 -1.816) 3.596 0.841 ( 1.245 0.449 -5.931) 6.077 0.882 ( 0.883 -3.026 -8.065) 8.659 1.061 ( 0.909 0.350 -7.820) 7.880 1.065 ( -1.462 0.173 -6.712) 6.872 1.204 ( 1.582 5.970 1.025) 6.261 1.268 ( -0.809 0.792 1.733) 2.070 1.290 ( 1.876 0.030 1.630) 2.485 1.338 ( 0.718 0.558 2.466) 2.628 1.381 ( -2.853 0.967 0.653) 3.082 1.400 ( 0.651 0.239 4.134) 4.192 1.467 ( 3.946 -0.535 2.256) 4.577 1.491 ( -1.039 -4.447 0.791) 4.635 1.570 ( 0.741 2.116 2.749) 3.547 1.616 ( -2.022 -1.927 3.874) 4.776 1.739 ( 0.330 -0.029 0.394) 0.515 1.790 ( -1.185 -4.003 1.962) 4.612 1.819 ( 2.023 3.628 4.052) 5.803 1.880 ( 0.903 -0.221 -0.626) 1.121 1.967 ( 2.465 -3.764 -2.211) 5.013 2.017 ( -0.389 -9.434 0.122) 9.443 2.053 ( -2.811 1.442 -6.066) 6.839 2.104 ( -0.848 -3.734 -5.144) 6.412 2.229 ( 0.526 2.207 -1.639) 2.798 2.303 ( 1.298 -4.078 -0.832) 4.359 2.478 ( 0.642 3.641 -2.963) 4.738 2.522 ( 0.164 -0.602 -7.668) 7.693 2.578 ( -1.839 3.598 0.882) 4.135 2.661 ( -1.767 -3.961 -2.199) 4.863 2.819 ( 1.995 2.706 2.816) 4.385 2.861 ( 1.475 -1.951 0.576) 2.513 2.991 ( -0.172 0.949 0.372) 1.034 3.005 ( -2.100 -0.550 0.826) 2.323 3.237 ( 0.923 0.923 -1.411) 1.922 3.265 ( 0.434 -1.768 -1.960) 2.675 3.348 ( -0.236 0.162 0.450) 0.534 3.365 ( -0.954 -1.427 0.228) 1.732 3.689 ( -0.947 1.416 6.007) 6.244 3.713 ( -1.460 -1.167 5.572) 5.877 3.955 ( 0.705 0.061 -1.479) 1.640 3.962 ( 0.904 -0.606 -1.960) 2.242 4.132 ( 0.568 1.862 1.080) 2.226 4.165 ( 0.550 -1.743 0.761) 1.980 4.275 ( -2.466 2.404 -2.621) 4.328 4.319 ( -2.099 -2.106 -3.593) 4.664 4.518 ( 3.252 5.081 8.439) 10.373 4.573 ( 1.467 -0.623 6.618) 6.808 4.886 ( -0.109 9.161 0.795) 9.196 4.975 ( -0.001 3.673 -0.644) 3.729 5.073 ( -0.801 2.714 0.575) 2.888 5.158 ( 1.577 0.152 -1.306) 2.054 5.319 ( -0.548 -6.851 -0.131) 6.874 5.353 ( 0.941 -7.819 -1.109) 7.954 5.759 ( 0.778 5.971 0.918) 6.091 5.883 ( 1.271 -5.406 -2.424) 6.059 5.917 ( -1.694 4.625 -2.144) 5.372 5.989 ( -4.216 -1.082 -3.414) 5.532 6.355 ( -1.168 -0.711 1.742) 2.215 6.379 ( 3.112 -3.316 1.565) 4.809 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.257 1.283 -3.234) 3.488 0.737 ( -2.253 -2.971 -0.618) 3.780 0.761 ( -0.626 0.710 -8.633) 8.684 0.801 ( 0.167 -2.872 -4.320) 5.190 0.967 ( 0.440 6.719 -4.460) 8.077 1.073 ( 3.409 -4.319 -3.263) 6.397 1.225 ( -0.419 2.127 3.896) 4.459 1.257 ( -2.736 0.646 0.276) 2.825 1.268 ( -3.118 2.034 4.312) 5.697 1.340 ( -4.915 -4.458 0.625) 6.665 1.417 ( 2.646 5.434 0.968) 6.121 1.469 ( 1.656 0.543 0.496) 1.812 1.494 ( 4.210 2.133 2.057) 5.148 1.559 ( 3.551 -2.997 2.044) 5.076 1.597 ( 1.176 -0.403 -1.927) 2.293 1.621 ( 0.144 -1.302 0.620) 1.450 1.761 ( -4.834 4.211 -5.632) 8.534 1.805 ( -1.073 0.415 -1.131) 1.613 1.852 ( 0.946 0.486 4.593) 4.715 1.907 ( 1.211 -0.517 -1.757) 2.195 1.954 ( 4.449 -2.678 2.997) 5.995 2.037 ( 4.274 -6.188 -2.865) 8.048 2.062 ( 7.374 -1.043 1.577) 7.613 2.113 ( 4.483 -4.513 0.489) 6.380 2.254 ( 4.537 3.230 -2.468) 6.092 2.361 ( 3.948 -4.140 -0.700) 5.764 2.407 ( -1.254 0.390 -4.395) 4.587 2.412 ( 0.563 -1.536 -9.068) 9.215 2.596 ( -0.124 1.542 2.924) 3.308 2.636 ( -0.623 -2.077 0.540) 2.235 2.858 ( -1.568 1.832 -1.632) 2.912 2.864 ( -0.167 1.273 0.242) 1.307 2.976 ( -1.079 1.313 0.435) 1.754 3.009 ( 1.322 -2.154 1.467) 2.922 3.228 ( -0.400 0.695 -1.504) 1.705 3.244 ( -0.168 -0.962 -1.887) 2.125 3.321 ( -2.410 0.641 0.099) 2.496 3.355 ( -0.825 -2.857 0.635) 3.041 3.739 ( -1.623 0.539 5.735) 5.984 3.748 ( -1.950 -0.320 5.537) 5.879 3.940 ( -0.165 0.294 -1.924) 1.954 3.955 ( 0.938 -1.591 -1.772) 2.559 4.145 ( -0.876 1.598 0.882) 2.025 4.157 ( -1.786 0.357 -0.734) 1.964 4.241 ( -0.366 0.080 1.417) 1.466 4.261 ( -1.242 -1.608 -0.695) 2.147 4.592 ( -3.306 5.427 2.409) 6.796 4.647 ( 0.055 0.186 3.836) 3.841 4.834 ( -6.521 5.780 1.191) 8.795 4.904 ( -11.170 1.218 0.221) 11.239 4.993 ( 2.179 6.306 -0.651) 6.704 5.199 ( -3.174 -12.037 -0.584) 12.462 5.351 ( 9.449 6.064 -0.660) 11.247 5.457 ( 6.776 -4.884 -1.265) 8.448 5.768 ( -0.894 2.197 1.602) 2.863 5.805 ( -2.776 -1.189 1.037) 3.193 5.895 ( -0.279 2.465 -1.418) 2.858 5.972 ( 3.413 -5.135 -3.949) 7.322 6.372 ( 1.369 4.170 1.173) 4.543 6.460 ( 4.927 -5.060 0.444) 7.076 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -2.371 2.384 -6.205) 7.058 0.677 ( 0.658 -0.182 -1.362) 1.523 0.713 ( -1.410 0.811 0.375) 1.670 0.780 ( 1.881 -4.382 4.155) 6.325 0.941 ( 0.965 8.151 -4.007) 9.133 1.073 ( 0.530 -5.453 -3.980) 6.772 1.203 ( -2.333 1.351 -1.848) 3.269 1.239 ( -2.977 -1.969 -0.516) 3.606 1.312 ( -0.022 2.122 6.362) 6.706 1.331 ( 0.179 0.961 8.424) 8.481 1.423 ( -0.867 3.102 -2.740) 4.229 1.465 ( 0.037 -1.971 -6.092) 6.403 1.517 ( -0.821 0.165 -1.625) 1.828 1.536 ( -2.493 0.411 -3.896) 4.643 1.642 ( 1.252 2.780 5.722) 6.483 1.663 ( 2.958 -0.235 0.790) 3.070 1.704 ( 3.374 0.457 1.031) 3.557 1.761 ( 1.166 -4.346 -0.603) 4.540 1.899 ( 1.236 4.745 -0.336) 4.915 1.977 ( 1.820 0.344 0.165) 1.860 2.030 ( 2.324 0.678 -0.042) 2.421 2.108 ( 4.844 -1.686 0.469) 5.151 2.190 ( 7.137 -0.535 -3.072) 7.788 2.246 ( 5.457 -4.628 -3.618) 8.018 2.296 ( 6.184 0.358 -0.642) 6.227 2.357 ( 1.263 -2.149 -1.261) 2.793 2.366 ( 3.320 4.695 2.527) 6.281 2.488 ( 7.420 -4.975 -1.880) 9.129 2.626 ( -0.037 0.120 1.498) 1.503 2.638 ( 0.609 -1.332 0.521) 1.554 2.789 ( -2.995 2.358 -1.393) 4.059 2.811 ( -3.832 0.082 -1.119) 3.993 2.982 ( -0.074 3.692 1.078) 3.847 3.057 ( 0.946 -4.135 2.079) 4.723 3.201 ( -0.263 -0.214 -1.517) 1.554 3.211 ( -1.198 -1.483 -1.641) 2.515 3.285 ( -2.090 2.236 0.670) 3.133 3.341 ( -1.773 -3.460 0.993) 4.012 3.746 ( -2.734 1.370 2.716) 4.089 3.769 ( -2.294 -0.981 3.430) 4.241 3.913 ( -0.344 1.299 -1.490) 2.006 3.953 ( 0.747 -3.048 -1.267) 3.385 4.103 ( -2.595 1.616 -0.852) 3.173 4.122 ( -2.054 -0.136 -0.075) 2.060 4.252 ( -0.091 1.129 1.628) 1.984 4.281 ( 1.181 -1.457 2.525) 3.145 4.517 ( -4.302 5.406 -1.568) 7.084 4.621 ( -4.203 -4.716 -1.256) 6.441 4.695 ( -8.295 2.720 -0.919) 8.778 4.721 ( -9.495 0.245 -0.395) 9.506 5.031 ( 2.417 4.847 0.002) 5.416 5.149 ( -1.572 -7.246 -0.303) 7.421 5.496 ( 7.651 4.339 -0.803) 8.832 5.547 ( 4.837 -1.136 -0.418) 4.986 5.753 ( -1.432 3.422 -0.005) 3.710 5.816 ( -0.311 -3.320 -0.380) 3.356 5.874 ( -1.839 3.950 1.628) 4.652 5.983 ( -1.606 -7.407 3.350) 8.286 6.449 ( 6.975 7.030 -0.445) 9.913 6.570 ( 7.912 -5.994 -1.055) 9.982 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -1.066 2.632 2.829) 4.008 0.637 ( -1.246 -3.834 2.590) 4.792 0.811 ( 3.203 6.026 6.626) 9.512 0.842 ( -2.893 3.514 -0.857) 4.631 0.912 ( 1.626 1.614 -3.544) 4.220 1.001 ( 0.279 -4.423 -4.863) 6.580 1.132 ( -1.689 0.284 -2.085) 2.698 1.189 ( -0.423 -3.498 -2.768) 4.481 1.344 ( 0.312 0.194 -0.147) 0.395 1.376 ( -0.421 -0.164 -0.127) 0.469 1.416 ( -0.741 2.762 -0.516) 2.906 1.429 ( -1.364 3.914 6.249) 7.498 1.453 ( 0.849 0.874 -2.515) 2.795 1.553 ( -0.166 -3.269 5.721) 6.591 1.687 ( 0.370 1.692 -0.432) 1.785 1.722 ( 0.639 -1.325 -4.487) 4.722 1.783 ( 1.733 4.755 1.103) 5.180 1.835 ( 2.987 1.058 7.511) 8.152 1.870 ( -2.834 -1.025 -2.188) 3.724 1.917 ( 1.081 -3.549 -1.855) 4.148 2.095 ( 1.735 3.503 2.282) 4.526 2.187 ( 5.634 3.558 -2.547) 7.134 2.283 ( 2.751 -6.796 0.489) 7.348 2.313 ( 6.450 -0.353 0.243) 6.464 2.353 ( 0.452 -0.271 -1.511) 1.600 2.388 ( 4.016 -2.121 -1.342) 4.736 2.483 ( 4.131 7.663 -1.112) 8.777 2.559 ( 1.589 1.306 0.041) 2.057 2.621 ( -2.010 1.334 1.106) 2.654 2.675 ( 2.511 -5.378 2.112) 6.300 2.756 ( 0.139 2.634 1.312) 2.946 2.790 ( 1.450 -1.451 2.071) 2.915 2.977 ( -1.763 4.837 0.683) 5.193 3.062 ( -2.979 -4.398 1.424) 5.500 3.172 ( -0.752 -0.086 -1.492) 1.672 3.189 ( 0.869 -1.422 -1.515) 2.253 3.269 ( -0.868 2.688 1.323) 3.119 3.326 ( -1.035 -3.195 1.034) 3.514 3.712 ( -2.210 1.374 -0.941) 2.767 3.737 ( -2.947 -1.211 -0.715) 3.265 3.896 ( -0.339 1.564 -0.629) 1.719 3.947 ( 0.072 -3.717 -1.309) 3.941 4.051 ( -2.045 2.280 -0.505) 3.104 4.094 ( -0.599 -2.271 -0.159) 2.354 4.275 ( 0.179 2.444 1.646) 2.952 4.326 ( -0.490 -2.210 2.119) 3.101 4.439 ( -1.288 1.779 -2.247) 3.142 4.515 ( -4.038 -5.788 -2.722) 7.564 4.568 ( -4.507 0.284 -0.185) 4.519 4.579 ( -4.521 -0.990 0.151) 4.630 5.073 ( 2.128 2.817 0.280) 3.541 5.128 ( -0.896 -3.115 0.076) 3.242 5.596 ( 3.437 3.272 -0.111) 4.747 5.620 ( 3.515 0.661 0.069) 3.577 5.715 ( -0.283 4.381 -2.436) 5.021 5.784 ( 0.146 -3.026 -2.173) 3.728 5.846 ( -4.408 4.353 2.164) 6.562 5.972 ( -4.732 -8.149 3.332) 9.995 6.577 ( 6.586 7.150 -0.117) 9.721 6.699 ( 7.293 -5.793 -1.353) 9.412 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -2.371 0.000 11.451) 11.694 0.519 ( -4.201 0.000 11.056) 11.827 0.669 ( 4.126 0.000 -3.579) 5.462 0.677 ( 2.469 0.000 -8.420) 8.775 0.900 ( 5.372 0.000 11.433) 12.633 0.920 ( -1.256 0.000 2.101) 2.448 1.038 ( 0.291 0.000 -1.552) 1.579 1.104 ( -1.084 0.000 -7.075) 7.158 1.206 ( 0.972 0.000 7.133) 7.199 1.393 ( -0.955 0.000 -6.676) 6.744 1.479 ( -6.909 0.000 1.622) 7.097 1.508 ( 4.181 0.000 0.688) 4.238 1.584 ( -4.661 0.000 -1.554) 4.913 1.611 ( 4.889 0.000 -1.865) 5.233 1.657 ( 2.491 0.000 -3.618) 4.393 1.680 ( -4.678 0.000 -6.156) 7.732 1.811 ( 0.096 0.000 4.832) 4.833 1.836 ( -2.069 0.000 1.669) 2.659 1.978 ( 0.801 0.000 3.748) 3.832 2.011 ( 3.897 0.000 6.738) 7.783 2.089 ( -1.733 0.000 -2.123) 2.740 2.201 ( 0.754 0.000 -5.357) 5.409 2.259 ( 3.107 0.000 1.274) 3.358 2.275 ( -5.270 0.000 -0.763) 5.325 2.360 ( -0.288 0.000 0.777) 0.829 2.375 ( -2.391 0.000 0.038) 2.391 2.445 ( 2.587 0.000 3.228) 4.137 2.480 ( 6.424 0.000 -1.194) 6.534 2.544 ( -6.437 0.000 1.213) 6.551 2.573 ( 2.367 0.000 -1.749) 2.943 2.773 ( -2.710 0.000 1.544) 3.119 2.797 ( 2.980 0.000 -1.365) 3.277 3.139 ( -1.118 0.000 0.173) 1.131 3.142 ( 0.392 0.000 -0.254) 0.467 3.257 ( 3.214 0.000 2.167) 3.876 3.274 ( -6.507 0.000 0.330) 6.515 3.340 ( 5.857 0.000 0.604) 5.888 3.353 ( -3.360 0.000 -0.723) 3.437 3.565 ( -2.292 0.000 -2.475) 3.374 3.589 ( 1.761 0.000 -4.941) 5.245 4.005 ( 1.122 0.000 3.098) 3.294 4.059 ( -1.606 0.000 -2.513) 2.983 4.061 ( -2.330 0.000 3.502) 4.206 4.140 ( 1.729 0.000 -4.899) 5.195 4.373 ( -2.312 0.000 1.636) 2.833 4.392 ( 0.475 0.000 -0.042) 0.477 4.483 ( 10.308 0.000 -0.662) 10.330 4.488 ( -3.217 0.000 -1.351) 3.489 4.951 ( -6.574 0.000 0.500) 6.593 4.959 ( 6.151 0.000 -0.217) 6.155 5.041 ( 7.033 0.000 1.481) 7.187 5.052 ( -7.423 0.000 0.159) 7.425 5.272 ( 0.962 0.000 1.148) 1.497 5.287 ( -0.727 0.000 -0.386) 0.824 5.791 ( 1.339 0.000 4.713) 4.900 5.813 ( -0.908 0.000 2.464) 2.626 5.988 ( 11.443 0.000 -2.074) 11.629 6.005 ( -14.391 0.000 -4.156) 14.979 6.354 ( -9.204 0.000 7.353) 11.781 6.503 ( 10.598 0.000 -7.734) 13.120 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.093 0.000 4.953) 4.954 0.592 ( 2.212 0.000 7.032) 7.372 0.626 ( 3.448 0.000 -7.807) 8.534 0.698 ( 4.669 0.000 -7.107) 8.503 0.923 ( 1.811 0.000 -5.611) 5.896 0.978 ( 1.324 0.000 -1.677) 2.136 1.026 ( 0.409 0.000 1.584) 1.636 1.074 ( 2.040 0.000 1.514) 2.540 1.246 ( -2.427 0.000 -10.898) 11.165 1.320 ( -4.489 0.000 5.880) 7.398 1.438 ( 1.141 0.000 6.024) 6.131 1.509 ( -3.642 0.000 3.883) 5.324 1.553 ( -1.537 0.000 -2.667) 3.078 1.601 ( -1.678 0.000 2.939) 3.384 1.685 ( 4.408 0.000 -2.548) 5.092 1.717 ( 4.343 0.000 5.769) 7.221 1.811 ( -2.183 0.000 -0.948) 2.379 1.873 ( 2.984 0.000 1.978) 3.580 1.973 ( -3.856 0.000 -3.813) 5.422 2.019 ( 1.233 0.000 -5.989) 6.114 2.124 ( -0.845 0.000 -2.187) 2.345 2.156 ( 1.142 0.000 7.039) 7.131 2.206 ( -1.276 0.000 0.727) 1.469 2.296 ( -4.258 0.000 1.035) 4.382 2.336 ( -0.552 0.000 0.736) 0.920 2.364 ( 4.510 0.000 -0.143) 4.513 2.446 ( -2.876 0.000 -1.131) 3.090 2.458 ( -1.877 0.000 -3.826) 4.262 2.563 ( 2.530 0.000 -0.522) 2.583 2.646 ( 4.274 0.000 -0.730) 4.335 2.742 ( -1.346 0.000 2.784) 3.092 2.821 ( 1.081 0.000 -2.040) 2.309 3.154 ( 2.006 0.000 0.246) 2.021 3.162 ( 0.730 0.000 0.157) 0.746 3.205 ( -2.527 0.000 1.220) 2.806 3.240 ( -4.980 0.000 -3.304) 5.976 3.352 ( 3.448 0.000 3.345) 4.804 3.374 ( -0.484 0.000 0.106) 0.495 3.555 ( 0.380 0.000 2.772) 2.798 3.623 ( 4.170 0.000 -0.178) 4.174 3.992 ( -2.604 0.000 -1.999) 3.283 4.063 ( -1.886 0.000 5.425) 5.744 4.065 ( 0.778 0.000 1.648) 1.823 4.115 ( 0.419 0.000 -3.973) 3.995 4.326 ( -6.059 0.000 -1.905) 6.351 4.337 ( -3.296 0.000 0.746) 3.380 4.430 ( 0.542 0.000 -2.439) 2.498 4.571 ( 3.496 0.000 -2.927) 4.560 4.827 ( -7.992 0.000 0.648) 8.018 4.879 ( -10.391 0.000 -0.670) 10.413 5.043 ( 3.671 0.000 -0.071) 3.671 5.108 ( 0.925 0.000 0.434) 1.022 5.366 ( 8.169 0.000 -0.547) 8.187 5.387 ( 8.912 0.000 -0.352) 8.919 5.763 ( -9.321 0.000 7.097) 11.716 5.781 ( -4.608 0.000 -6.395) 7.882 5.788 ( -2.819 0.000 -2.133) 3.535 6.183 ( 2.144 0.000 2.622) 3.387 6.332 ( 2.493 0.000 9.638) 9.955 6.566 ( 7.088 0.000 -8.859) 11.345 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.853 0.000 -13.283) 13.311 0.618 ( 4.469 0.000 -2.923) 5.340 0.654 ( 1.618 0.000 2.591) 3.055 0.736 ( 6.303 0.000 5.364) 8.277 0.953 ( 7.943 0.000 -5.113) 9.446 1.006 ( 1.906 0.000 1.552) 2.458 1.106 ( 3.573 0.000 -3.749) 5.179 1.114 ( 3.812 0.000 -4.507) 5.903 1.131 ( -0.642 0.000 3.773) 3.828 1.277 ( -6.142 0.000 5.585) 8.301 1.416 ( -4.197 0.000 -3.140) 5.241 1.481 ( -2.039 0.000 -0.448) 2.088 1.536 ( -5.572 0.000 4.955) 7.456 1.615 ( -1.664 0.000 -9.959) 10.097 1.621 ( -0.084 0.000 6.044) 6.044 1.730 ( -2.969 0.000 -6.660) 7.292 1.875 ( 1.838 0.000 -1.802) 2.574 1.911 ( 0.308 0.000 -3.124) 3.139 1.918 ( 1.812 0.000 11.605) 11.745 2.009 ( 4.354 0.000 -4.900) 6.555 2.166 ( 0.884 0.000 7.791) 7.841 2.216 ( 0.189 0.000 -0.206) 0.280 2.222 ( 2.510 0.000 -1.765) 3.069 2.261 ( -2.101 0.000 0.484) 2.156 2.296 ( -0.525 0.000 -7.189) 7.208 2.351 ( -0.426 0.000 2.224) 2.265 2.439 ( 3.750 0.000 -2.153) 4.324 2.460 ( 1.224 0.000 3.058) 3.294 2.565 ( -0.623 0.000 -1.332) 1.470 2.646 ( 0.124 0.000 -1.908) 1.912 2.794 ( 0.137 0.000 3.098) 3.101 2.797 ( 0.068 0.000 -2.584) 2.584 3.075 ( -2.327 0.000 -6.479) 6.884 3.125 ( -4.108 0.000 0.158) 4.111 3.239 ( 3.822 0.000 -0.014) 3.822 3.260 ( 6.028 0.000 -0.833) 6.085 3.365 ( -1.167 0.000 1.109) 1.610 3.429 ( -0.662 0.000 4.211) 4.263 3.602 ( -0.966 0.000 5.607) 5.690 3.704 ( 2.412 0.000 3.849) 4.542 3.925 ( -3.008 0.000 -0.319) 3.025 4.065 ( 0.792 0.000 -3.740) 3.823 4.074 ( -3.402 0.000 4.810) 5.892 4.096 ( 1.010 0.000 0.003) 1.010 4.260 ( 0.248 0.000 -0.411) 0.480 4.282 ( -2.647 0.000 -0.604) 2.716 4.418 ( 0.323 0.000 -1.497) 1.531 4.564 ( -1.575 0.000 -1.744) 2.350 4.684 ( -8.331 0.000 -0.500) 8.346 4.702 ( -6.061 0.000 -3.593) 7.046 5.096 ( 2.486 0.000 -0.077) 2.487 5.124 ( 0.563 0.000 0.313) 0.644 5.494 ( 6.498 0.000 -0.859) 6.555 5.510 ( 5.334 0.000 -2.578) 5.925 5.619 ( -4.423 0.000 -1.825) 4.785 5.703 ( -0.449 0.000 -4.602) 4.624 5.763 ( -2.665 0.000 7.724) 8.171 6.138 ( -6.328 0.000 2.171) 6.690 6.565 ( 4.011 0.000 -7.229) 8.267 6.566 ( 4.796 0.000 9.658) 10.784 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 5.716 0.000 -7.367) 9.325 0.693 ( 2.104 0.000 2.512) 3.277 0.723 ( 2.287 0.000 4.199) 4.781 0.910 ( 6.027 0.000 1.722) 6.268 0.972 ( 1.570 0.000 -1.383) 2.092 1.062 ( 3.603 0.000 -0.120) 3.605 1.101 ( -5.613 0.000 0.179) 5.615 1.155 ( 5.769 0.000 -4.007) 7.024 1.181 ( 7.475 0.000 -4.877) 8.925 1.234 ( -5.739 0.000 6.096) 8.372 1.319 ( -3.065 0.000 -10.455) 10.896 1.405 ( -1.954 0.000 7.069) 7.334 1.487 ( -1.441 0.000 1.889) 2.376 1.518 ( -4.638 0.000 -6.533) 8.012 1.630 ( 1.496 0.000 -1.947) 2.455 1.687 ( -0.781 0.000 0.354) 0.857 1.836 ( -4.131 0.000 -4.079) 5.806 1.885 ( 0.125 0.000 -0.609) 0.622 1.991 ( 4.001 0.000 -3.720) 5.463 2.040 ( -0.718 0.000 6.521) 6.561 2.149 ( -0.361 0.000 -4.820) 4.833 2.221 ( 2.352 0.000 -3.022) 3.829 2.230 ( 0.928 0.000 -0.105) 0.934 2.303 ( -0.242 0.000 8.172) 8.175 2.358 ( 5.737 0.000 -1.446) 5.917 2.367 ( -0.631 0.000 2.175) 2.265 2.419 ( -1.830 0.000 -4.081) 4.472 2.512 ( 0.116 0.000 3.633) 3.635 2.583 ( 3.657 0.000 -0.066) 3.658 2.637 ( 0.360 0.000 -0.606) 0.705 2.784 ( 1.003 0.000 -1.542) 1.840 2.795 ( -1.930 0.000 0.898) 2.129 2.996 ( 1.858 0.000 -6.485) 6.746 3.043 ( -5.063 0.000 0.305) 5.073 3.300 ( 2.307 0.000 -0.045) 2.308 3.333 ( 1.877 0.000 -1.221) 2.239 3.371 ( 2.792 0.000 -0.613) 2.859 3.418 ( -3.608 0.000 2.137) 4.193 3.671 ( 0.052 0.000 8.020) 8.020 3.791 ( 0.949 0.000 5.671) 5.750 3.917 ( 0.447 0.000 3.031) 3.064 4.038 ( -4.789 0.000 2.273) 5.302 4.059 ( 1.239 0.000 -2.002) 2.354 4.108 ( 0.918 0.000 -1.841) 2.057 4.247 ( -0.258 0.000 -0.117) 0.284 4.282 ( 0.991 0.000 1.155) 1.522 4.404 ( -0.381 0.000 -0.851) 0.933 4.476 ( -5.484 0.000 -0.250) 5.490 4.538 ( -5.633 0.000 -2.241) 6.062 4.593 ( -0.141 0.000 -7.331) 7.332 5.129 ( 1.510 0.000 -0.406) 1.563 5.134 ( 0.211 0.000 0.137) 0.252 5.520 ( 1.203 0.000 0.443) 1.282 5.578 ( 4.061 0.000 -0.041) 4.061 5.608 ( -0.611 0.000 2.643) 2.712 5.679 ( 1.717 0.000 -3.275) 3.697 5.824 ( 0.041 0.000 5.274) 5.274 6.035 ( -5.639 0.000 -1.027) 5.731 6.567 ( 4.393 0.000 -4.261) 6.120 6.663 ( -2.903 0.000 4.778) 5.591 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 6.690 0.000 2.841) 7.269 0.688 ( -4.514 0.000 0.759) 4.577 0.822 ( 1.269 0.000 2.318) 2.643 0.923 ( 2.356 0.000 -7.902) 8.246 0.961 ( -5.265 0.000 1.013) 5.362 1.019 ( -1.881 0.000 -6.646) 6.907 1.097 ( 0.460 0.000 8.721) 8.733 1.157 ( -1.348 0.000 1.727) 2.190 1.229 ( 3.306 0.000 -4.050) 5.228 1.250 ( 2.634 0.000 -4.996) 5.648 1.338 ( 2.868 0.000 6.828) 7.406 1.388 ( -2.495 0.000 -0.715) 2.596 1.388 ( 2.102 0.000 -1.500) 2.583 1.501 ( -6.948 0.000 -7.187) 9.996 1.568 ( 0.719 0.000 3.344) 3.421 1.642 ( 1.891 0.000 -3.563) 4.033 1.807 ( 0.496 0.000 2.685) 2.731 1.859 ( -1.318 0.000 -1.631) 2.097 2.048 ( -3.380 0.000 2.187) 4.026 2.086 ( 1.168 0.000 -3.404) 3.599 2.133 ( 7.340 0.000 2.775) 7.847 2.188 ( -5.592 0.000 -2.460) 6.109 2.248 ( -2.186 0.000 -1.808) 2.837 2.260 ( 2.364 0.000 -0.935) 2.542 2.390 ( -0.291 0.000 0.477) 0.559 2.403 ( 0.951 0.000 -1.306) 1.615 2.446 ( 0.733 0.000 6.545) 6.586 2.527 ( -0.529 0.000 -1.164) 1.278 2.628 ( 1.363 0.000 -0.236) 1.384 2.629 ( -1.106 0.000 -0.427) 1.186 2.779 ( -0.135 0.000 0.108) 0.173 2.784 ( 0.924 0.000 -1.032) 1.386 2.967 ( -3.950 0.000 0.313) 3.962 2.992 ( 3.846 0.000 -3.042) 4.904 3.316 ( -0.435 0.000 0.524) 0.681 3.328 ( -0.325 0.000 -0.638) 0.716 3.381 ( -3.212 0.000 1.887) 3.725 3.414 ( 2.813 0.000 -1.650) 3.261 3.772 ( 0.518 0.000 7.668) 7.686 3.843 ( -0.860 0.000 1.748) 1.948 3.980 ( -4.198 0.000 2.130) 4.708 3.986 ( 0.844 0.000 5.227) 5.295 4.053 ( 2.444 0.000 -3.468) 4.243 4.083 ( 1.026 0.000 -4.174) 4.298 4.270 ( 0.995 0.000 1.537) 1.831 4.302 ( 0.401 0.000 -1.030) 1.105 4.395 ( -0.809 0.000 2.510) 2.637 4.419 ( -0.152 0.000 0.350) 0.382 4.460 ( 0.057 0.000 -2.129) 2.130 4.509 ( 0.113 0.000 -7.117) 7.118 5.135 ( -0.304 0.000 0.089) 0.317 5.140 ( 0.493 0.000 -0.514) 0.712 5.593 ( 3.940 0.000 1.946) 4.395 5.609 ( -3.207 0.000 3.176) 4.513 5.616 ( -1.531 0.000 -0.325) 1.565 5.672 ( 2.974 0.000 -3.556) 4.636 5.876 ( 0.421 0.000 4.233) 4.254 5.938 ( -2.425 0.000 -2.395) 3.408 6.606 ( -6.428 0.000 1.363) 6.571 6.631 ( 6.248 0.000 -1.437) 6.411 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -8.226 0.000 -6.442) 10.448 0.744 ( -2.666 0.000 -0.667) 2.748 0.785 ( -2.944 0.000 -1.394) 3.257 0.814 ( -4.048 0.000 6.096) 7.318 0.988 ( -4.528 0.000 0.372) 4.543 1.013 ( 4.343 0.000 2.656) 5.091 1.078 ( -4.162 0.000 1.268) 4.351 1.121 ( -5.772 0.000 0.036) 5.772 1.202 ( -0.921 0.000 -5.746) 5.820 1.204 ( 0.057 0.000 0.357) 0.362 1.327 ( -0.121 0.000 -2.660) 2.663 1.428 ( 5.011 0.000 0.906) 5.092 1.464 ( 6.806 0.000 2.218) 7.158 1.510 ( 1.731 0.000 1.338) 2.188 1.613 ( 0.019 0.000 0.959) 0.960 1.673 ( 8.092 0.000 -0.466) 8.106 1.811 ( -1.070 0.000 -2.167) 2.417 1.866 ( 1.248 0.000 2.976) 3.227 1.970 ( -7.337 0.000 0.382) 7.347 2.049 ( -2.541 0.000 1.357) 2.881 2.079 ( -2.369 0.000 0.826) 2.509 2.215 ( -1.215 0.000 0.219) 1.235 2.250 ( 1.045 0.000 -3.711) 3.855 2.316 ( 3.576 0.000 3.004) 4.670 2.351 ( -4.068 0.000 -0.081) 4.069 2.393 ( 1.593 0.000 -0.843) 1.802 2.466 ( -1.576 0.000 -5.179) 5.413 2.526 ( 1.012 0.000 3.684) 3.820 2.586 ( -3.300 0.000 -0.351) 3.319 2.635 ( -0.017 0.000 -0.083) 0.085 2.771 ( -1.150 0.000 -0.170) 1.163 2.807 ( 2.837 0.000 -1.077) 3.035 2.907 ( -3.770 0.000 1.719) 4.144 3.047 ( 4.256 0.000 -0.581) 4.296 3.304 ( -2.057 0.000 -0.429) 2.101 3.310 ( -2.012 0.000 1.172) 2.328 3.346 ( -2.287 0.000 1.779) 2.897 3.443 ( 2.580 0.000 -0.681) 2.669 3.798 ( -1.963 0.000 -4.065) 4.514 3.834 ( -1.261 0.000 2.577) 2.869 3.934 ( -3.599 0.000 1.648) 3.958 4.036 ( 0.803 0.000 3.033) 3.138 4.065 ( 1.017 0.000 -2.935) 3.106 4.107 ( 6.360 0.000 -2.173) 6.721 4.268 ( -0.638 0.000 -2.670) 2.745 4.296 ( 0.502 0.000 0.272) 0.571 4.428 ( -0.065 0.000 -4.526) 4.527 4.455 ( -0.065 0.000 6.648) 6.649 4.486 ( 6.064 0.000 -1.396) 6.222 4.497 ( 5.880 0.000 1.664) 6.111 5.124 ( -1.114 0.000 0.073) 1.117 5.138 ( -0.096 0.000 -0.304) 0.319 5.545 ( -3.407 0.000 -1.855) 3.879 5.562 ( -5.238 0.000 1.864) 5.560 5.642 ( -0.695 0.000 0.531) 0.875 5.665 ( 0.051 0.000 -3.480) 3.481 5.903 ( 1.175 0.000 -2.800) 3.036 5.980 ( 5.518 0.000 4.976) 7.431 6.504 ( -6.639 0.000 2.312) 7.030 6.729 ( 6.084 0.000 -2.093) 6.434 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -6.709 0.000 7.433) 10.013 0.572 ( -10.880 0.000 1.401) 10.969 0.735 ( -2.543 0.000 -4.456) 5.131 0.795 ( -6.346 0.000 2.289) 6.746 0.849 ( -13.380 0.000 4.728) 14.191 1.000 ( -3.894 0.000 4.671) 6.081 1.022 ( -4.846 0.000 0.065) 4.846 1.095 ( 5.455 0.000 -2.855) 6.157 1.197 ( 3.854 0.000 -2.449) 4.567 1.285 ( 2.267 0.000 7.779) 8.103 1.400 ( 8.405 0.000 1.354) 8.513 1.444 ( -0.363 0.000 -4.380) 4.395 1.553 ( 2.742 0.000 1.432) 3.093 1.605 ( 0.337 0.000 2.910) 2.929 1.643 ( 8.969 0.000 -5.593) 10.570 1.718 ( 0.882 0.000 -3.949) 4.046 1.862 ( 1.506 0.000 1.694) 2.266 1.871 ( -1.940 0.000 -1.147) 2.254 1.890 ( -3.123 0.000 6.750) 7.438 2.051 ( -0.694 0.000 2.148) 2.257 2.100 ( -0.197 0.000 7.166) 7.169 2.180 ( -2.428 0.000 -2.919) 3.796 2.233 ( 0.652 0.000 2.287) 2.379 2.276 ( -1.327 0.000 -0.833) 1.567 2.316 ( -3.635 0.000 -4.396) 5.704 2.365 ( -0.950 0.000 -1.011) 1.387 2.427 ( -2.777 0.000 -1.262) 3.051 2.537 ( -0.354 0.000 -4.015) 4.030 2.554 ( 1.937 0.000 0.008) 1.937 2.634 ( 0.169 0.000 -0.266) 0.315 2.751 ( -1.339 0.000 1.974) 2.386 2.837 ( 1.661 0.000 -1.227) 2.065 2.915 ( -0.890 0.000 8.891) 8.936 3.115 ( 3.145 0.000 0.694) 3.221 3.241 ( -4.246 0.000 -0.264) 4.254 3.250 ( -4.319 0.000 0.014) 4.319 3.361 ( 0.572 0.000 1.568) 1.669 3.492 ( 3.140 0.000 -1.756) 3.597 3.709 ( -1.199 0.000 -4.792) 4.940 3.785 ( -3.286 0.000 -3.031) 4.470 3.910 ( -0.471 0.000 1.923) 1.980 4.032 ( -1.840 0.000 -1.400) 2.312 4.086 ( 0.999 0.000 1.232) 1.587 4.176 ( 5.456 0.000 -5.965) 8.084 4.266 ( 2.736 0.000 0.993) 2.911 4.277 ( -0.946 0.000 -2.704) 2.865 4.392 ( -1.100 0.000 0.534) 1.223 4.508 ( -0.717 0.000 4.419) 4.477 4.643 ( 9.773 0.000 1.954) 9.967 4.663 ( 9.682 0.000 1.594) 9.813 5.095 ( -2.256 0.000 -0.032) 2.256 5.132 ( -0.255 0.000 -0.383) 0.460 5.472 ( -4.796 0.000 0.882) 4.876 5.474 ( -6.675 0.000 1.195) 6.781 5.622 ( -0.319 0.000 -0.568) 0.651 5.622 ( -1.610 0.000 2.266) 2.780 5.889 ( 2.573 0.000 -5.314) 5.904 6.145 ( 7.559 0.000 1.938) 7.803 6.442 ( -5.586 0.000 5.503) 7.841 6.746 ( 0.790 0.000 -8.586) 8.622 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -8.600 0.000 9.226) 12.612 0.480 ( -2.657 0.000 14.936) 15.171 0.662 ( -0.206 0.000 -2.399) 2.408 0.682 ( -7.006 0.000 12.337) 14.187 0.727 ( -2.069 0.000 -1.781) 2.730 0.947 ( -3.215 0.000 0.076) 3.216 1.056 ( -0.474 0.000 3.804) 3.834 1.147 ( 4.713 0.000 -5.542) 7.276 1.179 ( 1.316 0.000 -5.495) 5.650 1.401 ( 4.922 0.000 0.669) 4.967 1.477 ( 3.878 0.000 2.324) 4.521 1.485 ( -2.215 0.000 -1.686) 2.784 1.595 ( 2.624 0.000 5.009) 5.655 1.612 ( -0.181 0.000 -4.681) 4.685 1.708 ( 1.203 0.000 -7.173) 7.273 1.728 ( 2.133 0.000 7.257) 7.564 1.819 ( -2.479 0.000 0.083) 2.481 1.869 ( -3.990 0.000 1.993) 4.460 1.921 ( 0.419 0.000 3.832) 3.855 1.965 ( -2.149 0.000 -8.802) 9.061 2.156 ( -3.277 0.000 -0.126) 3.279 2.198 ( 1.033 0.000 3.436) 3.588 2.211 ( 1.435 0.000 -1.008) 1.753 2.281 ( 5.858 0.000 2.704) 6.452 2.344 ( -0.939 0.000 -0.983) 1.359 2.347 ( 2.820 0.000 1.975) 3.443 2.386 ( -0.783 0.000 3.694) 3.776 2.443 ( -2.984 0.000 -3.251) 4.413 2.578 ( 0.710 0.000 -1.328) 1.506 2.624 ( -2.000 0.000 0.255) 2.016 2.773 ( -0.417 0.000 2.927) 2.957 2.805 ( -1.059 0.000 -3.399) 3.560 3.114 ( 8.835 0.000 7.771) 11.766 3.159 ( -0.442 0.000 -0.016) 0.442 3.181 ( -1.611 0.000 1.457) 2.172 3.198 ( 0.271 0.000 0.809) 0.853 3.379 ( -0.025 0.000 0.287) 0.288 3.429 ( -5.225 0.000 -5.321) 7.458 3.656 ( 0.283 0.000 -6.397) 6.403 3.671 ( -4.208 0.000 -4.356) 6.056 3.971 ( 1.449 0.000 0.119) 1.453 4.025 ( 1.107 0.000 6.326) 6.422 4.093 ( 0.025 0.000 -1.121) 1.121 4.172 ( 2.268 0.000 -5.782) 6.211 4.272 ( 4.524 0.000 3.172) 5.525 4.348 ( 4.464 0.000 -0.283) 4.473 4.387 ( -1.607 0.000 2.041) 2.597 4.525 ( -1.726 0.000 2.095) 2.715 4.837 ( 8.424 0.000 -0.326) 8.430 4.851 ( 10.686 0.000 2.082) 10.887 5.041 ( -3.945 0.000 0.075) 3.945 5.115 ( -1.120 0.000 -0.520) 1.235 5.350 ( -8.379 0.000 1.029) 8.442 5.372 ( -7.334 0.000 1.052) 7.409 5.675 ( 3.918 0.000 3.811) 5.465 5.706 ( 4.851 0.000 6.052) 7.756 5.891 ( 5.459 0.000 -5.471) 7.729 6.255 ( 2.384 0.000 -3.640) 4.352 6.413 ( -6.726 0.000 7.099) 9.780 6.523 ( -8.177 0.000 -11.414) 14.041 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -1.082 5.011 8.079) 9.568 0.630 ( -1.562 7.302 7.841) 10.827 0.666 ( 3.676 2.050 -5.155) 6.655 0.743 ( -0.017 4.118 -2.043) 4.597 0.956 ( 4.322 4.096 7.879) 9.876 1.011 ( 0.033 7.990 0.917) 8.043 1.059 ( -1.065 3.515 -2.851) 4.650 1.094 ( -1.471 -1.586 -4.136) 4.668 1.197 ( 1.975 1.131 5.483) 5.937 1.317 ( -2.157 -5.196 -2.667) 6.226 1.443 ( 2.313 -4.686 0.806) 5.288 1.482 ( -4.412 -2.965 -3.350) 6.283 1.560 ( -1.532 -0.613 1.853) 2.481 1.615 ( 0.483 0.414 -3.308) 3.368 1.636 ( 3.262 -0.935 0.846) 3.498 1.700 ( -3.199 -1.355 -3.044) 4.619 1.874 ( -0.062 5.423 4.990) 7.370 1.887 ( -0.486 3.916 2.209) 4.522 1.920 ( 2.662 -2.512 0.257) 3.669 1.983 ( -0.654 -3.229 -3.869) 5.082 2.056 ( -1.663 -1.839 3.952) 4.666 2.193 ( 1.052 -1.065 -6.149) 6.329 2.255 ( 1.917 -0.696 3.770) 4.287 2.294 ( -0.897 1.551 -0.628) 1.899 2.375 ( -1.852 1.245 2.676) 3.484 2.428 ( -0.593 1.638 -1.135) 2.079 2.463 ( 4.796 2.426 2.170) 5.796 2.492 ( -0.698 1.765 -1.437) 2.380 2.565 ( -4.427 3.577 3.221) 6.540 2.615 ( 2.949 4.386 -2.132) 5.698 2.784 ( -3.489 1.427 1.260) 3.974 2.805 ( 3.753 0.852 -1.348) 4.077 3.120 ( -0.171 -3.800 2.061) 4.327 3.137 ( -0.651 -1.021 -0.089) 1.214 3.202 ( 0.800 -4.525 1.860) 4.958 3.224 ( -1.958 -3.257 -0.126) 3.802 3.319 ( 3.743 -1.000 2.668) 4.704 3.358 ( -2.295 0.135 -1.342) 2.661 3.565 ( -0.873 0.095 -2.005) 2.189 3.594 ( -0.380 0.249 -4.605) 4.628 3.971 ( -0.306 -2.953 3.975) 4.961 4.027 ( 0.315 -2.119 -0.453) 2.190 4.056 ( -0.757 -1.238 0.788) 1.651 4.129 ( 0.674 -1.315 -5.818) 6.003 4.331 ( 3.617 -4.121 1.745) 5.754 4.351 ( -3.080 -1.845 -0.314) 3.604 4.483 ( -3.202 -0.072 0.690) 3.276 4.512 ( 5.896 0.854 -2.293) 6.384 4.803 ( -0.907 -9.967 1.194) 10.079 4.817 ( -0.069 -9.649 -0.234) 9.652 5.088 ( 4.811 1.587 0.825) 5.133 5.101 ( -4.247 1.724 -0.534) 4.614 5.389 ( -2.171 9.476 1.308) 9.809 5.408 ( 2.296 9.865 -0.769) 10.158 5.727 ( -0.488 -3.614 7.283) 8.145 5.793 ( 0.952 -1.866 1.114) 2.373 5.944 ( 8.296 -3.923 -1.221) 9.257 6.000 ( -10.452 -2.284 -6.639) 12.592 6.434 ( -5.840 7.126 7.205) 11.696 6.591 ( 6.599 6.981 -9.023) 13.179 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 2.079 3.107 3.688) 5.251 0.662 ( 5.400 2.939 -8.367) 10.383 0.704 ( 0.288 7.941 3.259) 8.588 0.739 ( 3.580 4.182 -3.488) 6.517 0.942 ( -2.912 1.445 -2.867) 4.335 0.991 ( -1.622 -0.185 1.327) 2.104 1.042 ( 0.126 4.677 -2.376) 5.247 1.144 ( 6.167 5.505 4.119) 9.236 1.202 ( -2.118 -3.395 -5.308) 6.647 1.319 ( -3.752 0.101 -0.985) 3.880 1.386 ( 1.203 -3.766 3.433) 5.236 1.492 ( -1.088 -2.240 3.985) 4.699 1.564 ( -1.160 0.853 0.900) 1.698 1.578 ( -1.342 -2.065 0.471) 2.507 1.662 ( 3.210 -2.032 -2.693) 4.657 1.731 ( 1.301 0.016 2.852) 3.135 1.823 ( -5.455 0.940 0.758) 5.587 1.875 ( -2.140 -2.563 -0.093) 3.340 1.937 ( 2.198 3.362 -3.013) 5.022 2.003 ( 3.013 -3.787 1.170) 4.979 2.111 ( -0.450 -0.689 -5.445) 5.507 2.148 ( 1.729 -1.424 6.096) 6.494 2.228 ( -2.877 2.356 -1.576) 4.039 2.314 ( -2.456 -0.994 -1.807) 3.207 2.350 ( -2.365 0.600 0.196) 2.448 2.359 ( -0.731 1.801 1.712) 2.590 2.448 ( -1.149 0.218 -1.464) 1.874 2.500 ( -1.535 5.030 0.015) 5.259 2.582 ( 1.606 1.393 0.828) 2.281 2.660 ( 2.601 1.645 -2.887) 4.220 2.753 ( -0.606 1.310 2.607) 2.980 2.851 ( 2.086 2.767 -1.843) 3.925 3.114 ( -2.163 -4.317 -1.089) 4.950 3.160 ( 3.484 -1.084 0.968) 3.775 3.203 ( 1.534 0.846 -0.275) 1.773 3.231 ( -3.917 -2.593 -0.114) 4.699 3.306 ( 1.685 -2.146 -0.411) 2.759 3.373 ( 0.600 -0.609 1.365) 1.610 3.559 ( 0.438 0.376 2.046) 2.126 3.621 ( 3.765 -0.244 1.384) 4.018 3.963 ( -2.600 -2.648 0.058) 3.711 4.036 ( 0.365 -2.864 -0.632) 2.956 4.058 ( 0.082 -0.949 0.544) 1.097 4.093 ( -0.479 -1.126 -0.155) 1.233 4.271 ( -3.245 -1.740 -1.455) 3.959 4.394 ( 1.412 -1.407 0.889) 2.182 4.410 ( -4.380 1.255 -0.675) 4.606 4.559 ( 2.738 -1.053 -3.017) 4.208 4.759 ( -4.542 -6.175 0.593) 7.689 4.796 ( -3.255 -7.167 -0.056) 7.871 5.001 ( -1.117 1.458 -0.281) 1.858 5.268 ( 10.147 -2.634 -0.347) 10.489 5.304 ( -4.913 9.613 0.239) 10.798 5.502 ( 5.503 6.478 -0.587) 8.520 5.708 ( -4.121 -3.005 -1.356) 5.278 5.750 ( -6.557 -1.335 -0.352) 6.701 5.838 ( -0.190 1.282 -0.216) 1.314 6.169 ( 8.944 -2.679 3.523) 9.979 6.397 ( -5.712 6.337 7.740) 11.519 6.586 ( 3.484 2.053 -7.466) 8.491 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.540 1.952 -6.579) 6.884 0.666 ( 4.518 2.704 -4.729) 7.077 0.723 ( 2.106 6.736 -3.903) 8.065 0.797 ( 4.350 5.250 4.020) 7.915 0.931 ( 3.840 0.142 -2.310) 4.483 1.012 ( 2.964 -3.454 -1.737) 4.872 1.047 ( 1.187 1.965 1.470) 2.725 1.135 ( -0.145 0.740 -0.447) 0.876 1.240 ( 0.536 4.684 -0.004) 4.714 1.291 ( -0.158 3.610 3.101) 4.762 1.401 ( -1.198 -2.168 0.312) 2.497 1.479 ( -3.572 0.567 -1.783) 4.033 1.529 ( -2.897 -1.193 3.921) 5.020 1.570 ( -4.096 -2.628 -5.255) 7.162 1.626 ( 0.976 -0.895 2.122) 2.501 1.740 ( -3.867 0.335 -4.941) 6.283 1.779 ( 2.624 -6.084 1.782) 6.861 1.859 ( -1.086 -3.274 4.435) 5.619 1.976 ( 0.775 -1.576 -7.590) 7.791 2.011 ( 3.975 1.926 0.079) 4.418 2.118 ( 1.516 -4.177 2.959) 5.339 2.139 ( -1.681 -2.648 -3.173) 4.461 2.210 ( -3.587 -3.894 -4.637) 7.038 2.267 ( -0.127 2.334 5.163) 5.668 2.329 ( -1.348 -0.275 2.071) 2.486 2.349 ( 3.434 0.999 -1.597) 3.917 2.458 ( -1.136 2.486 2.240) 3.534 2.520 ( 3.145 4.542 1.418) 5.704 2.562 ( -2.180 0.121 -1.631) 2.725 2.624 ( -0.369 -2.410 -4.569) 5.179 2.793 ( -1.407 -0.466 2.228) 2.676 2.838 ( 1.119 4.146 -2.422) 4.931 3.037 ( -0.713 -3.596 -5.823) 6.881 3.146 ( -4.722 1.211 0.245) 4.881 3.229 ( 2.422 -0.955 -0.032) 2.604 3.266 ( 5.732 0.122 -0.422) 5.749 3.337 ( 0.573 -2.348 0.486) 2.466 3.415 ( 0.400 -1.284 3.458) 3.710 3.607 ( -0.177 0.536 5.177) 5.208 3.712 ( 2.256 0.821 4.515) 5.113 3.923 ( -2.018 0.070 0.480) 2.075 4.003 ( 1.391 -4.248 -3.384) 5.606 4.063 ( -3.052 -1.359 2.414) 4.122 4.106 ( 1.866 1.296 0.449) 2.316 4.243 ( 0.337 -0.787 0.686) 1.097 4.330 ( -3.197 1.808 -0.921) 3.786 4.403 ( -0.071 -0.637 -1.071) 1.248 4.547 ( -1.190 -1.473 -1.471) 2.398 4.672 ( -4.952 -0.406 -0.254) 4.975 4.718 ( -2.873 1.064 -2.593) 4.014 5.027 ( 2.971 -3.000 -0.008) 4.222 5.230 ( -3.655 6.900 -0.006) 7.808 5.426 ( 8.080 -4.870 -0.640) 9.456 5.574 ( 3.761 3.319 -1.013) 5.117 5.599 ( -1.537 -0.100 -3.316) 3.657 5.737 ( -2.008 1.069 4.579) 5.113 5.804 ( -1.879 4.206 -0.630) 4.650 6.188 ( -7.011 5.035 1.654) 8.789 6.486 ( 4.834 -6.513 0.216) 8.114 6.571 ( 0.468 -0.881 1.733) 1.999 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 3.850 2.774 -6.600) 8.129 0.707 ( 2.161 1.076 0.582) 2.483 0.756 ( 2.894 3.632 2.001) 5.057 0.929 ( 5.059 -3.112 -0.683) 5.979 0.956 ( 3.541 2.213 -3.345) 5.350 1.024 ( 0.344 -1.731 -0.445) 1.820 1.073 ( -0.186 -0.224 0.079) 0.302 1.183 ( 3.509 3.781 2.286) 5.643 1.250 ( -2.668 1.595 5.795) 6.576 1.292 ( -2.499 1.505 -10.903) 11.286 1.311 ( 0.361 4.548 -1.021) 4.676 1.443 ( -0.558 2.809 6.463) 7.069 1.479 ( -1.954 -1.079 0.903) 2.407 1.524 ( -3.400 1.149 -5.463) 6.537 1.598 ( -0.747 -2.322 -0.271) 2.454 1.702 ( 0.036 1.145 0.409) 1.216 1.811 ( -1.906 -3.037 -2.299) 4.259 1.861 ( 1.376 -3.087 -1.138) 3.566 1.940 ( 1.074 -3.932 -6.059) 7.303 2.005 ( 0.275 -3.838 5.326) 6.570 2.069 ( -2.804 -7.060 -3.358) 8.306 2.148 ( 4.589 -3.455 -3.037) 6.498 2.217 ( 2.374 -4.225 0.120) 4.847 2.277 ( -1.555 -1.992 0.936) 2.695 2.357 ( 0.867 3.649 0.270) 3.760 2.404 ( -1.732 0.518 2.757) 3.297 2.450 ( -0.514 -3.927 1.954) 4.417 2.502 ( -0.598 2.666 -0.058) 2.733 2.567 ( 0.742 -5.037 -2.729) 5.777 2.607 ( 1.251 2.232 1.117) 2.792 2.763 ( -1.102 -1.003 0.556) 1.591 2.842 ( 0.710 2.975 -2.317) 3.837 2.982 ( 1.676 -1.305 -4.940) 5.377 3.063 ( -4.955 1.488 0.231) 5.179 3.260 ( 1.281 -2.963 0.039) 3.228 3.331 ( 0.495 -1.107 -1.693) 2.083 3.351 ( 3.191 -1.222 -0.463) 3.448 3.429 ( -2.351 -0.037 1.983) 3.076 3.684 ( 0.733 1.235 7.540) 7.676 3.798 ( 0.860 0.526 5.473) 5.565 3.925 ( 1.016 0.860 1.552) 2.045 3.999 ( -0.774 -3.589 -0.251) 3.680 4.042 ( -0.902 -0.106 1.007) 1.356 4.142 ( 2.296 2.864 -1.833) 4.103 4.259 ( 0.073 -0.701 -0.157) 0.722 4.304 ( 0.201 3.289 2.125) 3.921 4.381 ( -0.419 -1.324 -0.839) 1.622 4.500 ( -1.969 2.270 -0.360) 3.026 4.576 ( -4.797 3.744 -1.469) 6.260 4.650 ( -0.492 5.867 -4.733) 7.554 5.081 ( 3.085 -2.867 -0.191) 4.216 5.173 ( -2.797 2.479 -0.097) 3.739 5.528 ( 3.435 -3.720 -0.046) 5.064 5.570 ( 0.780 -0.456 -0.432) 1.001 5.634 ( 3.431 4.369 0.986) 5.641 5.729 ( -0.446 5.274 -1.254) 5.440 5.810 ( -1.071 -0.981 4.733) 4.951 6.057 ( -6.981 2.354 -1.532) 7.525 6.518 ( 4.335 -5.070 -3.972) 7.764 6.608 ( -3.151 -5.355 4.401) 7.614 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 5.311 0.075 2.720) 5.968 0.705 ( -3.612 1.370 -1.306) 4.077 0.815 ( 0.137 -0.536 1.079) 1.213 0.898 ( -0.460 -2.339 -6.307) 6.743 0.971 ( -2.845 0.667 -0.148) 2.926 1.005 ( 2.789 -2.025 -5.448) 6.447 1.115 ( 0.639 1.614 4.358) 4.691 1.178 ( -0.479 2.537 1.322) 2.901 1.249 ( 1.010 3.760 -0.625) 3.943 1.291 ( -0.830 0.122 6.355) 6.410 1.358 ( 3.804 4.522 -1.101) 6.011 1.372 ( -1.591 0.622 -7.108) 7.310 1.457 ( 0.837 4.415 1.480) 4.732 1.531 ( -4.651 2.751 -4.207) 6.849 1.558 ( 0.450 -0.694 4.414) 4.491 1.640 ( 1.066 -0.049 -3.210) 3.382 1.791 ( 0.234 -1.379 1.488) 2.042 1.840 ( -1.435 -2.196 -2.223) 3.439 1.953 ( -1.550 -8.239 2.741) 8.820 2.011 ( 1.124 -7.680 -3.279) 8.426 2.114 ( 3.507 -3.122 4.035) 6.191 2.168 ( -3.068 -1.351 -3.210) 4.641 2.203 ( 3.790 -4.990 -2.034) 6.588 2.223 ( -1.908 -2.782 -3.148) 4.614 2.365 ( -3.040 -1.406 1.853) 3.828 2.380 ( 2.202 0.392 0.098) 2.239 2.497 ( -0.242 -5.111 3.331) 6.106 2.535 ( 0.062 -4.359 1.737) 4.693 2.567 ( 3.056 -2.360 -1.154) 4.030 2.598 ( -1.903 4.161 -1.388) 4.781 2.778 ( 1.194 0.419 0.639) 1.418 2.803 ( -1.209 1.407 -2.400) 3.033 2.978 ( -2.249 0.811 0.321) 2.412 2.998 ( 2.213 0.474 -2.214) 3.166 3.279 ( 0.183 -2.860 0.881) 2.998 3.302 ( -0.769 -2.320 -1.469) 2.852 3.380 ( -2.839 -0.245 1.761) 3.350 3.412 ( 2.359 -0.559 -1.462) 2.831 3.787 ( 0.359 1.029 7.436) 7.515 3.849 ( -1.456 -0.115 2.798) 3.156 3.948 ( -1.651 -1.290 0.481) 2.149 3.996 ( 3.325 -2.834 -2.213) 4.897 4.049 ( -1.063 3.214 3.695) 5.011 4.130 ( 0.407 3.033 -3.810) 4.887 4.267 ( 0.441 -0.318 1.244) 1.357 4.305 ( -0.460 -0.074 -2.462) 2.506 4.423 ( 2.406 3.786 4.612) 6.433 4.477 ( -2.345 3.141 -0.329) 3.933 4.505 ( 1.087 7.681 -0.608) 7.782 4.578 ( -0.491 7.380 -5.929) 9.480 5.126 ( -2.594 -0.817 0.033) 2.720 5.130 ( 2.829 -0.754 -0.371) 2.952 5.564 ( 0.508 -3.409 1.037) 3.599 5.583 ( -0.188 -3.703 -0.749) 3.783 5.684 ( -1.193 5.532 1.962) 5.989 5.727 ( 2.794 6.409 -2.311) 7.364 5.855 ( 0.784 -1.766 5.133) 5.485 5.935 ( -2.777 -0.263 -3.231) 4.268 6.553 ( -5.807 -5.199 1.446) 7.927 6.580 ( 5.686 -5.083 -1.451) 7.763 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -6.708 1.834 -5.881) 9.108 0.716 ( -6.545 -1.706 0.143) 6.766 0.765 ( -0.274 -0.075 3.702) 3.712 0.850 ( -3.911 0.209 1.576) 4.221 0.921 ( -0.398 -3.741 0.712) 3.829 1.031 ( 1.312 1.880 -0.611) 2.373 1.122 ( -1.083 1.029 -3.902) 4.178 1.158 ( -2.278 3.990 1.824) 4.943 1.238 ( -1.041 5.977 1.459) 6.240 1.303 ( -0.620 5.960 -3.593) 6.987 1.336 ( -1.525 2.225 -0.524) 2.748 1.405 ( 4.021 -0.496 1.184) 4.221 1.484 ( 5.882 0.526 1.218) 6.029 1.520 ( -0.238 0.576 0.217) 0.660 1.605 ( 1.505 0.467 1.433) 2.130 1.689 ( 7.030 0.363 0.644) 7.069 1.771 ( -2.400 -3.734 0.068) 4.439 1.848 ( 0.494 -1.931 1.127) 2.290 1.893 ( -5.385 -6.682 0.431) 8.593 2.011 ( -0.396 -5.842 -1.315) 6.001 2.043 ( -3.325 -1.180 2.622) 4.396 2.150 ( -0.637 -4.862 -3.805) 6.206 2.229 ( 1.413 -2.057 -1.388) 2.856 2.255 ( 1.055 -3.850 1.952) 4.444 2.361 ( 1.770 -0.150 0.626) 1.884 2.434 ( 3.877 -1.190 0.031) 4.056 2.485 ( -3.772 -1.537 -0.327) 4.086 2.532 ( -1.213 -0.298 -2.622) 2.905 2.537 ( -0.048 -1.926 0.041) 1.927 2.608 ( 0.174 0.845 1.566) 1.788 2.778 ( 0.370 -0.152 -0.567) 0.694 2.805 ( 0.676 0.530 0.458) 0.973 2.922 ( -3.219 1.292 0.631) 3.526 3.061 ( 4.420 1.083 0.046) 4.551 3.266 ( -1.371 -2.958 -0.330) 3.277 3.303 ( 0.100 -1.651 1.158) 2.019 3.331 ( -3.678 -0.486 1.269) 3.922 3.450 ( 2.246 -0.542 -0.316) 2.333 3.796 ( -3.171 0.131 -2.529) 4.058 3.842 ( -1.679 0.239 2.009) 2.629 3.918 ( -2.062 -1.121 1.073) 2.580 4.022 ( 1.954 -2.807 -2.224) 4.080 4.073 ( -0.934 2.411 0.484) 2.630 4.108 ( 2.160 0.384 -0.884) 2.366 4.267 ( -0.639 -0.241 -1.487) 1.636 4.298 ( 0.745 0.028 2.044) 2.176 4.430 ( -0.320 0.556 -3.813) 3.867 4.507 ( -0.226 5.652 -1.447) 5.838 4.539 ( 4.931 5.407 3.111) 7.951 4.574 ( 3.807 7.333 1.242) 8.355 5.078 ( -2.930 -2.886 0.097) 4.114 5.176 ( 2.944 2.511 -0.396) 3.890 5.535 ( -4.087 -5.022 -0.897) 6.537 5.556 ( -2.194 -0.822 1.041) 2.564 5.653 ( -3.045 5.074 -0.571) 5.946 5.732 ( 0.584 5.023 -1.735) 5.346 5.886 ( 1.288 -1.658 -2.562) 3.312 5.996 ( 7.128 1.642 4.612) 8.648 6.459 ( -6.340 -4.445 2.195) 8.048 6.670 ( 5.857 -5.707 -2.075) 8.437 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -4.728 5.844 6.858) 10.176 0.567 ( -10.011 1.800 4.291) 11.039 0.748 ( -2.263 1.817 -2.053) 3.555 0.847 ( -2.118 -2.269 4.607) 5.555 0.859 ( -5.072 4.170 -0.792) 6.614 0.984 ( -5.214 2.161 -1.789) 5.921 1.095 ( 0.260 3.703 0.072) 3.713 1.156 ( -2.352 6.295 0.468) 6.736 1.223 ( 0.812 3.078 -1.044) 3.351 1.277 ( 1.321 -0.467 2.595) 2.949 1.376 ( 5.024 -0.363 1.325) 5.208 1.482 ( 2.338 1.674 -0.436) 2.908 1.516 ( -0.999 -3.534 -0.483) 3.704 1.589 ( 2.663 -1.368 3.803) 4.840 1.651 ( 5.887 0.141 -5.614) 8.136 1.737 ( 2.425 1.594 -2.738) 3.990 1.795 ( -2.692 -5.028 -0.794) 5.759 1.834 ( 0.024 -4.395 2.687) 5.152 1.863 ( -0.154 -1.430 5.963) 6.134 2.031 ( -0.538 -3.882 3.781) 5.446 2.043 ( 0.458 -1.209 1.339) 1.862 2.148 ( 3.710 -6.402 -0.952) 7.460 2.193 ( -0.843 -1.269 -2.463) 2.896 2.270 ( -1.553 2.518 2.863) 4.117 2.359 ( -0.592 -1.365 -0.867) 1.722 2.406 ( -3.006 3.245 -5.939) 7.405 2.473 ( -1.362 6.284 1.162) 6.534 2.527 ( 2.844 -0.912 0.906) 3.121 2.562 ( 1.866 -2.950 -0.144) 3.494 2.591 ( -1.388 -1.078 -2.059) 2.707 2.775 ( -0.910 2.209 2.592) 3.525 2.833 ( 1.778 -0.678 -0.421) 1.949 2.904 ( -2.293 -0.476 6.172) 6.601 3.135 ( 3.194 1.690 1.007) 3.751 3.231 ( -2.194 -0.990 -0.372) 2.436 3.260 ( -4.610 0.378 0.052) 4.626 3.328 ( -0.053 -3.019 1.504) 3.373 3.466 ( -0.300 -2.555 -1.337) 2.900 3.708 ( -1.561 0.001 -4.330) 4.603 3.793 ( -2.683 0.755 -2.723) 3.897 3.908 ( -0.591 -0.275 1.993) 2.096 3.988 ( -2.087 -2.090 -1.848) 3.484 4.080 ( 0.381 -0.866 0.734) 1.197 4.145 ( 4.406 -2.491 -3.510) 6.159 4.257 ( -0.045 -0.838 -0.230) 0.870 4.338 ( 2.798 3.427 -0.406) 4.443 4.381 ( -0.445 -0.639 -1.400) 1.602 4.518 ( 0.038 1.266 1.718) 2.134 4.650 ( 4.553 1.774 2.279) 5.391 4.678 ( 5.972 0.687 0.787) 6.063 5.026 ( -3.071 -3.185 0.171) 4.427 5.230 ( 3.738 6.357 -0.142) 7.375 5.420 ( -7.896 -4.535 -0.149) 9.107 5.534 ( -2.844 3.365 2.195) 4.923 5.587 ( -2.410 1.996 -0.751) 3.218 5.735 ( 0.852 5.847 1.114) 6.012 5.875 ( 2.169 -1.402 -4.775) 5.429 6.188 ( 8.929 4.336 2.350) 10.200 6.395 ( -5.723 -4.868 5.000) 9.025 6.703 ( 2.887 -4.010 -7.211) 8.742 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -6.024 4.445 10.153) 12.614 0.548 ( -1.067 6.587 12.142) 13.855 0.687 ( -1.159 2.597 -2.955) 4.101 0.769 ( -1.608 3.631 -1.472) 4.235 0.845 ( -3.550 10.652 7.150) 13.311 0.943 ( 0.127 1.866 3.243) 3.744 1.097 ( -1.111 4.338 0.977) 4.583 1.120 ( 0.814 -2.191 -4.015) 4.646 1.215 ( 1.295 3.714 -3.535) 5.288 1.361 ( 3.540 -3.268 -0.033) 4.817 1.407 ( -1.979 -3.861 -1.904) 4.738 1.508 ( 1.499 -2.824 1.890) 3.714 1.543 ( 1.292 -2.229 2.394) 3.517 1.622 ( 1.153 -0.339 -2.355) 2.644 1.671 ( 0.137 -1.791 -3.425) 3.868 1.735 ( -1.187 -4.804 0.639) 4.990 1.787 ( 3.213 3.615 2.810) 5.593 1.850 ( -4.000 -3.333 5.943) 7.902 1.946 ( 4.859 1.120 -0.621) 5.025 1.984 ( -2.279 1.612 -4.693) 5.461 2.117 ( 0.656 -3.886 -1.405) 4.184 2.148 ( 0.970 -1.630 2.842) 3.417 2.246 ( -0.336 -0.121 0.716) 0.800 2.286 ( 2.321 2.595 0.653) 3.542 2.301 ( 0.546 0.803 1.199) 1.543 2.391 ( 2.819 -1.058 0.876) 3.136 2.462 ( -2.274 5.974 2.269) 6.783 2.475 ( -0.952 4.472 -3.022) 5.480 2.590 ( -0.549 -1.929 1.571) 2.548 2.613 ( 1.799 1.158 -0.823) 2.292 2.788 ( -1.528 3.302 2.073) 4.188 2.823 ( -0.600 0.849 -1.805) 2.083 3.021 ( 3.776 -6.940 9.096) 12.048 3.171 ( -3.400 -0.699 0.463) 3.502 3.191 ( -1.238 -0.113 -0.654) 1.404 3.210 ( 2.519 2.148 1.887) 3.811 3.315 ( -3.517 -5.633 -0.534) 6.662 3.403 ( -2.551 -1.208 -1.574) 3.232 3.633 ( -1.552 -0.569 -4.802) 5.079 3.697 ( -2.966 0.869 -5.252) 6.094 3.944 ( -1.777 -3.165 3.242) 4.867 3.970 ( 3.263 -1.010 1.876) 3.897 4.079 ( -0.406 -1.547 -0.921) 1.845 4.177 ( 3.577 -2.191 -6.105) 7.407 4.247 ( 1.458 -1.055 0.727) 1.941 4.374 ( -0.129 -0.773 1.268) 1.491 4.419 ( 5.057 3.424 -0.231) 6.111 4.519 ( -2.043 -0.444 1.501) 2.574 4.759 ( 4.530 -7.196 0.747) 8.535 4.783 ( 4.402 -6.197 0.926) 7.657 4.993 ( 0.304 0.980 0.465) 1.127 5.263 ( -9.451 -3.282 0.145) 10.005 5.306 ( 4.757 10.883 -0.125) 11.878 5.484 ( -5.109 6.633 1.384) 8.486 5.599 ( 2.030 -1.826 4.837) 5.554 5.777 ( 0.677 1.708 2.071) 2.769 5.871 ( 3.989 -1.885 -4.439) 6.259 6.256 ( -5.445 -2.093 -4.373) 7.290 6.396 ( 0.425 1.134 6.416) 6.529 6.616 ( 1.290 6.272 -9.920) 11.807 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.073 5.906 3.244) 6.739 0.712 ( 2.312 3.405 -4.177) 5.864 0.741 ( 0.238 3.613 5.113) 6.265 0.814 ( -0.773 3.306 -1.312) 3.640 0.967 ( 3.385 -2.091 6.869) 7.938 1.021 ( 0.090 -3.936 -0.475) 3.966 1.108 ( 1.822 -0.675 -3.204) 3.747 1.165 ( -6.275 3.527 -7.404) 10.327 1.260 ( 2.668 4.151 6.032) 7.793 1.317 ( -2.900 3.193 -0.621) 4.358 1.377 ( 1.115 -0.012 2.686) 2.908 1.428 ( -1.023 -0.247 -1.473) 1.810 1.569 ( -2.160 1.196 0.327) 2.490 1.601 ( 2.334 -1.618 1.107) 3.048 1.632 ( 0.979 0.169 -0.719) 1.227 1.651 ( 0.027 -0.991 -0.865) 1.315 1.834 ( 0.499 -3.439 5.463) 6.474 1.922 ( 0.273 -0.974 3.198) 3.354 1.964 ( -1.960 -0.281 -2.903) 3.514 2.020 ( 0.755 7.347 3.916) 8.359 2.068 ( -1.251 2.796 -4.120) 5.134 2.157 ( -0.166 -0.996 -7.042) 7.114 2.227 ( 1.278 -2.334 4.745) 5.440 2.306 ( 0.180 -1.062 -2.025) 2.294 2.394 ( 2.846 1.473 1.266) 3.445 2.424 ( -1.449 -1.007 -1.664) 2.426 2.525 ( 2.377 3.481 2.733) 5.024 2.555 ( -2.344 3.822 0.250) 4.490 2.652 ( -0.641 5.189 5.684) 7.723 2.716 ( -0.957 4.955 -1.459) 5.253 2.820 ( 1.618 1.435 0.522) 2.224 2.837 ( -0.907 2.758 -1.212) 3.146 3.006 ( 2.281 -5.318 5.054) 7.683 3.069 ( -1.463 -5.171 -2.103) 5.771 3.160 ( -1.547 -1.054 1.916) 2.679 3.195 ( 1.177 -0.572 -1.201) 1.776 3.311 ( 1.444 0.151 2.806) 3.159 3.352 ( -1.385 -0.679 -1.314) 2.027 3.567 ( -0.332 0.094 -2.088) 2.117 3.593 ( -1.391 -0.427 -4.059) 4.312 3.919 ( -0.489 -2.573 2.314) 3.495 3.968 ( 0.985 -4.034 -2.514) 4.854 4.041 ( 0.706 0.095 2.291) 2.400 4.105 ( -0.343 -0.819 -4.495) 4.582 4.268 ( 2.099 -2.533 2.438) 4.095 4.315 ( -2.852 -2.184 -1.982) 4.103 4.475 ( -2.666 -1.233 0.803) 3.045 4.495 ( 4.280 -2.985 -1.149) 5.343 4.649 ( 0.872 -5.591 1.405) 5.830 4.664 ( -0.665 -5.555 -0.092) 5.596 5.107 ( 1.443 0.732 0.751) 1.784 5.119 ( -1.230 0.497 -0.422) 1.392 5.536 ( -2.631 4.961 1.043) 5.712 5.557 ( 2.762 4.794 -1.197) 5.660 5.715 ( -0.388 2.632 4.942) 5.612 5.764 ( 1.153 -0.670 0.428) 1.401 5.865 ( 6.688 -4.031 -0.199) 7.812 5.926 ( -8.826 -4.805 -5.831) 11.619 6.568 ( -1.870 6.486 5.505) 8.710 6.691 ( 2.398 3.147 -7.147) 8.169 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 1.533 4.433 1.448) 4.909 0.708 ( 3.637 2.035 -5.203) 6.667 0.797 ( 3.296 3.362 -2.748) 5.451 0.844 ( 3.586 4.336 2.023) 5.979 0.949 ( -1.849 -1.203 -4.481) 4.995 1.002 ( -3.534 1.363 -0.478) 3.818 1.069 ( 0.621 -2.498 3.233) 4.133 1.203 ( 0.700 0.807 0.863) 1.374 1.258 ( 0.960 7.120 0.390) 7.195 1.321 ( -3.980 -0.032 -1.094) 4.127 1.338 ( 0.739 -1.239 3.647) 3.923 1.474 ( 3.342 0.922 1.219) 3.675 1.534 ( -3.496 -1.670 -1.099) 4.027 1.587 ( -0.503 2.186 1.800) 2.876 1.633 ( 0.147 -0.587 -4.184) 4.227 1.667 ( 0.663 -4.446 -0.452) 4.518 1.834 ( -3.847 0.500 1.301) 4.092 1.912 ( -7.984 3.593 -0.981) 8.810 1.958 ( 1.396 -0.282 6.306) 6.465 1.967 ( 0.466 -0.046 -8.463) 8.476 2.080 ( 1.024 -4.187 5.211) 6.762 2.157 ( 3.402 4.453 0.517) 5.628 2.247 ( -2.626 -1.123 -4.373) 5.223 2.256 ( -1.932 -4.391 0.167) 4.800 2.354 ( -3.053 -0.572 -0.333) 3.124 2.400 ( -4.067 3.746 -1.500) 5.729 2.504 ( -0.999 4.437 0.685) 4.600 2.586 ( 1.591 1.287 0.165) 2.053 2.615 ( -4.423 3.854 1.843) 6.149 2.715 ( -0.997 4.239 -4.126) 5.998 2.783 ( 0.030 1.786 1.602) 2.399 2.897 ( 2.222 1.029 0.493) 2.498 3.007 ( -1.430 -5.814 -3.569) 6.971 3.114 ( 3.183 -4.663 2.670) 6.245 3.168 ( -0.085 -1.428 1.223) 1.882 3.219 ( 3.737 -0.100 -1.361) 3.979 3.300 ( -1.520 0.633 -1.953) 2.554 3.357 ( 0.639 -0.953 1.747) 2.090 3.566 ( 0.960 0.450 1.315) 1.689 3.614 ( 3.512 -0.440 3.007) 4.645 3.912 ( -0.996 -2.296 0.724) 2.605 3.975 ( 1.191 -3.338 -2.134) 4.137 4.045 ( -0.279 0.302 -1.432) 1.489 4.092 ( 1.134 0.692 1.734) 2.185 4.249 ( -1.439 -1.063 -1.212) 2.161 4.342 ( 1.260 -2.921 2.008) 3.762 4.427 ( -2.412 -0.115 0.266) 2.429 4.535 ( 1.575 -1.840 -2.985) 3.844 4.649 ( 0.494 -4.482 -0.019) 4.509 4.683 ( 1.982 -4.663 -0.105) 5.067 5.043 ( -3.506 2.497 -0.258) 4.312 5.196 ( 5.087 -3.558 -0.110) 6.209 5.488 ( -4.158 7.998 0.757) 9.046 5.591 ( 1.911 2.469 -1.331) 3.394 5.679 ( -2.783 -0.303 -0.903) 2.942 5.735 ( -4.474 -0.396 -0.504) 4.520 5.841 ( 3.405 0.035 0.053) 3.406 6.081 ( 11.193 -6.091 4.252) 13.434 6.519 ( -8.837 5.969 2.628) 10.983 6.629 ( -2.071 2.002 -3.332) 4.404 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -0.404 4.038 -2.799) 4.930 0.724 ( 3.596 3.516 -5.059) 7.134 0.819 ( 3.869 2.223 -3.970) 5.972 0.873 ( 3.027 2.612 -3.438) 5.273 0.964 ( 2.091 0.023 -2.456) 3.225 1.000 ( -0.014 4.367 4.016) 5.933 1.102 ( 0.331 2.624 -3.604) 4.470 1.133 ( 2.229 -0.748 3.026) 3.832 1.254 ( -3.240 0.357 2.708) 4.238 1.363 ( 0.585 -0.817 2.754) 2.932 1.407 ( 1.860 3.455 2.236) 4.516 1.454 ( -2.210 -3.461 -2.175) 4.647 1.506 ( 1.343 0.332 -4.302) 4.519 1.541 ( -3.761 -0.671 1.296) 4.034 1.634 ( -0.979 2.477 3.266) 4.214 1.679 ( -0.167 -2.730 0.856) 2.866 1.752 ( -5.910 -0.443 -1.984) 6.250 1.801 ( -2.862 -1.663 7.034) 7.774 1.889 ( 2.317 -4.038 -8.603) 9.782 2.034 ( -2.074 -1.593 -0.605) 2.684 2.072 ( -0.028 -3.577 -4.869) 6.041 2.119 ( -2.538 3.041 -4.314) 5.857 2.176 ( -3.900 -2.333 -0.155) 4.547 2.288 ( -4.340 0.068 0.546) 4.375 2.290 ( 2.047 -1.729 3.777) 4.631 2.344 ( -0.006 -1.589 2.939) 3.341 2.499 ( -2.994 0.108 -0.463) 3.032 2.542 ( -2.224 1.197 0.229) 2.536 2.597 ( -1.004 1.044 -6.004) 6.176 2.650 ( 1.592 5.556 -0.913) 5.852 2.782 ( -2.495 -0.346 0.760) 2.631 2.902 ( -0.373 0.967 -3.150) 3.316 2.955 ( 1.304 -3.695 -1.989) 4.394 3.134 ( -3.710 -2.704 2.227) 5.102 3.209 ( 2.315 -1.168 -0.120) 2.596 3.268 ( 2.363 0.433 -0.672) 2.495 3.292 ( 2.915 -2.309 -1.424) 3.983 3.387 ( 0.697 -1.748 1.968) 2.723 3.626 ( 1.227 1.580 4.739) 5.144 3.721 ( 2.196 -0.278 5.038) 5.503 3.926 ( 0.607 -0.653 1.758) 1.971 3.945 ( 0.343 -1.090 -3.068) 3.274 4.050 ( 0.576 0.388 -0.049) 0.697 4.135 ( 2.594 1.063 0.052) 2.804 4.249 ( 1.045 1.945 1.534) 2.689 4.330 ( -1.666 0.288 0.235) 1.707 4.408 ( -1.100 -0.076 -1.286) 1.694 4.516 ( 0.000 -1.920 0.590) 2.009 4.674 ( 1.394 0.450 -0.205) 1.479 4.732 ( 4.404 0.123 -1.185) 4.563 5.000 ( -0.669 0.284 -0.194) 0.752 5.285 ( 4.749 -5.740 -0.468) 7.464 5.392 ( -6.180 5.897 -0.513) 8.557 5.600 ( -0.262 0.411 -0.932) 1.052 5.630 ( 0.446 1.639 -0.265) 1.719 5.745 ( 1.259 -0.092 3.462) 3.685 5.875 ( 0.852 3.538 -1.205) 3.834 6.281 ( 3.264 -0.298 2.616) 4.194 6.354 ( -6.595 -2.599 -2.345) 7.466 6.548 ( -5.161 -1.457 1.289) 5.515 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 1.021 5.029 -5.143) 7.266 0.730 ( 2.372 1.561 -1.910) 3.422 0.826 ( 0.940 1.273 -2.341) 2.826 0.880 ( 5.443 -0.382 -5.418) 7.689 0.931 ( -0.713 -1.723 -3.107) 3.623 1.067 ( 1.321 1.112 1.813) 2.504 1.095 ( -0.245 3.320 -2.326) 4.061 1.229 ( 3.695 -0.102 0.977) 3.823 1.272 ( -0.448 3.099 4.657) 5.612 1.325 ( -2.805 1.687 0.785) 3.366 1.394 ( -0.591 2.056 -2.955) 3.648 1.447 ( -1.887 -0.958 0.390) 2.152 1.461 ( -0.831 0.060 5.595) 5.657 1.570 ( 0.033 -1.659 2.732) 3.197 1.579 ( -1.181 2.683 -2.679) 3.971 1.711 ( -0.015 -1.715 2.170) 2.766 1.741 ( 0.558 -1.147 1.559) 2.014 1.787 ( -1.941 -2.894 -1.588) 3.829 1.862 ( 1.494 -4.335 -7.128) 8.475 1.936 ( -1.492 -3.105 4.531) 5.692 1.993 ( -5.157 0.289 -6.048) 7.954 2.059 ( 2.761 -4.770 -4.035) 6.831 2.156 ( 1.156 -4.117 0.259) 4.285 2.235 ( -2.626 -4.340 -0.759) 5.129 2.326 ( -2.951 -6.248 3.359) 7.683 2.355 ( -3.259 -3.481 1.127) 4.900 2.438 ( -1.306 1.035 0.413) 1.716 2.455 ( -0.568 -2.243 -8.877) 9.174 2.572 ( -0.881 3.203 2.735) 4.303 2.671 ( 0.976 2.785 -0.764) 3.048 2.768 ( 0.394 1.407 1.589) 2.159 2.864 ( 0.916 -1.042 -3.916) 4.154 2.964 ( 1.082 0.330 -0.832) 1.404 3.075 ( -4.312 -0.517 0.420) 4.363 3.219 ( 0.788 -1.192 -0.556) 1.533 3.291 ( 0.091 -2.881 -2.125) 3.581 3.331 ( 3.137 -0.816 0.192) 3.247 3.410 ( -0.800 -1.714 1.009) 2.144 3.710 ( 0.895 1.576 6.488) 6.737 3.797 ( -0.054 -0.775 5.170) 5.228 3.933 ( 1.562 -0.646 -2.137) 2.725 3.948 ( -0.136 -1.380 0.430) 1.452 4.071 ( 1.500 2.885 1.142) 3.446 4.172 ( 1.876 -0.112 -0.881) 2.075 4.258 ( -0.359 1.003 -0.908) 1.400 4.347 ( -1.002 -0.003 -2.417) 2.616 4.393 ( 2.942 4.045 5.295) 7.284 4.560 ( 1.385 3.283 3.479) 4.980 4.678 ( 0.070 7.451 -0.897) 7.505 4.784 ( 2.391 7.736 -1.668) 8.267 5.024 ( 3.594 -3.353 -0.123) 4.917 5.237 ( -7.266 4.594 -0.294) 8.601 5.393 ( 5.130 -9.508 -0.763) 10.830 5.542 ( -2.919 -3.348 -1.626) 4.730 5.699 ( 2.609 1.820 4.015) 5.122 5.808 ( 2.283 1.912 0.618) 3.041 5.845 ( -1.635 4.983 -1.256) 5.393 6.115 ( -10.231 2.891 -3.300) 11.132 6.400 ( 4.795 -6.484 -1.731) 8.248 6.496 ( -4.173 -5.739 3.264) 7.810 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 3.056 0.882 0.746) 3.267 0.728 ( -2.365 0.684 -4.927) 5.508 0.795 ( 0.622 -1.710 -0.280) 1.841 0.854 ( -1.636 -2.460 -4.427) 5.322 0.957 ( -4.099 -1.853 -1.844) 4.862 0.976 ( 4.667 -0.155 -2.626) 5.357 1.162 ( 3.481 2.737 2.818) 5.248 1.222 ( -1.024 2.933 -1.737) 3.559 1.307 ( 0.492 2.811 1.904) 3.430 1.353 ( -0.248 3.552 4.853) 6.019 1.356 ( -2.194 0.353 -0.619) 2.307 1.473 ( 2.046 3.983 -3.090) 5.441 1.498 ( -1.404 -0.231 2.484) 2.863 1.548 ( 3.060 0.590 3.540) 4.716 1.596 ( -3.576 2.040 -1.333) 4.328 1.639 ( -1.023 -1.187 -0.231) 1.584 1.779 ( 2.011 0.269 -0.034) 2.029 1.795 ( -2.918 -1.466 -1.402) 3.554 1.822 ( -1.662 -2.244 -1.750) 3.296 1.862 ( 3.801 -5.893 -3.314) 7.756 2.021 ( 0.929 -6.490 5.212) 8.376 2.093 ( 2.727 -6.132 0.664) 6.744 2.120 ( -1.956 -3.879 -3.872) 5.819 2.166 ( -0.289 -4.736 -4.521) 6.553 2.295 ( -2.642 -7.812 3.108) 8.813 2.377 ( 4.074 -4.635 -1.541) 6.360 2.379 ( 1.112 -3.769 -2.160) 4.484 2.406 ( -2.872 0.295 -0.543) 2.937 2.602 ( 0.367 1.448 3.301) 3.623 2.657 ( -0.851 1.117 -2.199) 2.609 2.807 ( 1.533 2.583 1.383) 3.307 2.834 ( -1.124 2.072 -1.975) 3.075 2.988 ( 1.199 0.231 0.551) 1.340 3.006 ( -1.583 0.231 -1.246) 2.027 3.234 ( 0.456 -1.654 0.693) 1.850 3.259 ( -0.576 -2.003 -1.795) 2.751 3.370 ( -1.131 -0.865 1.007) 1.744 3.391 ( 0.750 -1.597 -0.968) 2.013 3.796 ( -0.035 0.136 6.353) 6.354 3.834 ( -2.051 -0.997 3.767) 4.403 3.931 ( -0.175 -0.907 -2.016) 2.218 3.943 ( 2.190 -2.144 -2.369) 3.873 4.117 ( 0.564 3.097 2.768) 4.191 4.166 ( -0.697 0.844 -2.241) 2.494 4.259 ( 0.278 -0.428 1.579) 1.659 4.296 ( -1.109 -0.858 -2.281) 2.677 4.525 ( 4.122 6.773 4.324) 9.031 4.566 ( -3.200 5.938 -0.396) 6.757 4.704 ( 2.015 12.450 2.096) 12.785 4.764 ( -1.363 11.572 -3.250) 12.097 5.106 ( -2.298 -1.190 0.681) 2.676 5.122 ( 2.634 -0.104 -0.943) 2.799 5.467 ( 3.787 -7.127 -0.420) 8.081 5.472 ( -3.584 -7.454 -0.849) 8.315 5.768 ( -0.767 1.803 3.139) 3.700 5.816 ( 0.525 1.357 -0.144) 1.462 5.865 ( 3.977 3.856 0.413) 5.555 5.929 ( -4.776 -0.423 -3.778) 6.105 6.446 ( -4.398 -5.184 1.681) 7.003 6.471 ( 4.639 -5.579 -0.947) 7.317 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -3.568 2.863 -3.994) 6.072 0.701 ( -2.495 -0.292 3.399) 4.227 0.770 ( -1.361 -0.826 -0.253) 1.612 0.833 ( -4.077 0.761 0.871) 4.238 0.863 ( 0.874 -2.743 3.604) 4.613 1.063 ( 3.791 -0.215 -1.316) 4.019 1.148 ( -0.847 2.341 -5.218) 5.781 1.227 ( 0.768 3.222 0.288) 3.325 1.330 ( 2.290 1.048 1.590) 2.978 1.352 ( -3.327 5.172 1.240) 6.274 1.409 ( -2.105 -0.004 -4.098) 4.607 1.443 ( 4.814 0.995 0.897) 4.997 1.509 ( -1.268 5.726 0.392) 5.878 1.525 ( -1.273 -0.022 0.203) 1.289 1.625 ( 1.545 -3.348 0.444) 3.714 1.640 ( 1.205 -0.743 2.314) 2.712 1.704 ( -3.507 -2.454 3.407) 5.471 1.804 ( -1.047 -3.271 -1.262) 3.659 1.846 ( 2.421 3.097 -0.880) 4.028 1.902 ( 4.953 -3.817 0.579) 6.279 2.002 ( -0.604 -2.435 -1.498) 2.922 2.070 ( -1.178 -3.697 -5.465) 6.703 2.151 ( 0.676 -5.603 2.273) 6.085 2.204 ( 5.641 -2.887 0.714) 6.377 2.324 ( 1.620 -6.162 3.181) 7.121 2.361 ( -0.245 -3.806 0.853) 3.908 2.398 ( 4.160 -6.136 -2.375) 7.784 2.443 ( 2.675 -0.813 -0.279) 2.810 2.613 ( -0.645 2.550 -1.754) 3.161 2.645 ( 0.070 0.949 2.088) 2.295 2.780 ( -1.915 1.630 -0.106) 2.517 2.832 ( -0.849 1.814 -0.293) 2.024 2.948 ( -1.812 1.615 0.197) 2.436 3.068 ( 4.336 -0.770 0.930) 4.501 3.220 ( -1.126 -1.585 -0.444) 1.994 3.261 ( 0.282 -2.426 0.792) 2.567 3.324 ( -3.457 -0.366 0.595) 3.527 3.417 ( 1.074 -2.542 0.101) 2.762 3.797 ( -3.309 0.163 -0.781) 3.403 3.840 ( -1.557 -0.511 1.979) 2.569 3.902 ( -0.639 -0.558 -0.487) 0.979 3.967 ( 2.719 -2.891 -1.812) 4.363 4.107 ( -2.457 1.835 -2.317) 3.843 4.141 ( -1.330 1.926 2.232) 3.234 4.260 ( -0.672 -0.270 -0.905) 1.159 4.295 ( 0.942 -0.485 2.593) 2.801 4.474 ( -3.384 4.606 -2.471) 6.226 4.624 ( 1.611 4.831 -1.351) 5.269 4.677 ( -2.063 9.955 -2.004) 10.362 4.742 ( -1.557 9.704 2.312) 10.096 5.021 ( -3.672 -3.329 0.129) 4.959 5.239 ( 7.098 4.470 -0.450) 8.401 5.390 ( -4.472 -9.586 -0.542) 10.591 5.521 ( 2.442 -3.318 0.572) 4.159 5.740 ( -3.703 3.290 -0.038) 4.954 5.823 ( 0.100 3.318 -1.044) 3.479 5.851 ( 0.850 -1.201 -1.654) 2.214 6.028 ( 8.948 0.614 4.655) 10.105 6.373 ( -4.896 -3.215 1.159) 5.970 6.549 ( 5.628 -6.374 -2.000) 8.735 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -2.758 6.440 5.821) 9.109 0.663 ( -2.846 6.880 2.805) 7.956 0.772 ( -1.351 -3.580 4.637) 6.012 0.802 ( -2.019 3.570 0.614) 4.147 0.906 ( -0.931 0.047 1.546) 1.805 1.058 ( -1.983 2.994 -0.573) 3.637 1.112 ( 1.680 -1.412 -4.708) 5.195 1.191 ( -2.131 0.264 -3.023) 3.707 1.304 ( 0.933 3.813 -1.850) 4.340 1.357 ( -1.776 4.300 2.587) 5.323 1.381 ( 2.413 -0.279 1.091) 2.662 1.457 ( -4.789 0.880 0.561) 4.901 1.482 ( 0.415 -2.494 -2.048) 3.254 1.582 ( 3.006 1.599 5.236) 6.245 1.634 ( 3.444 -0.707 -3.794) 5.173 1.693 ( -1.360 -3.201 -0.406) 3.502 1.755 ( 2.293 -1.396 0.131) 2.688 1.785 ( 0.236 -1.376 4.895) 5.090 1.884 ( 4.590 4.284 -1.549) 6.467 1.990 ( 0.343 -4.350 0.240) 4.370 1.990 ( -0.204 -1.052 -0.247) 1.099 2.045 ( 4.860 -2.173 2.584) 5.917 2.179 ( 3.595 -1.830 -0.383) 4.052 2.291 ( 3.522 1.606 0.812) 3.955 2.383 ( -0.950 -1.345 -2.511) 3.003 2.393 ( 0.259 -1.543 -1.311) 2.041 2.431 ( 2.474 -6.754 4.643) 8.562 2.496 ( 4.793 -1.401 -0.785) 5.054 2.595 ( -0.416 4.154 -0.739) 4.240 2.645 ( -0.921 4.201 0.011) 4.301 2.785 ( 1.991 -1.197 0.435) 2.364 2.812 ( -1.488 -1.116 4.146) 4.544 2.928 ( -2.083 3.001 1.086) 3.811 3.147 ( 2.934 -1.427 0.792) 3.358 3.204 ( -0.521 -1.496 -0.196) 1.596 3.253 ( -2.748 -2.112 0.563) 3.511 3.274 ( -2.799 -0.990 0.953) 3.118 3.412 ( -1.441 -3.020 -0.444) 3.376 3.716 ( -2.431 1.131 -3.589) 4.480 3.798 ( -2.471 -0.491 -2.262) 3.386 3.899 ( -0.796 -0.479 1.511) 1.774 3.973 ( 0.395 -1.134 -2.642) 2.902 4.054 ( -0.763 -0.144 -0.767) 1.092 4.128 ( -1.290 0.208 0.530) 1.410 4.252 ( -0.194 0.787 0.534) 0.971 4.355 ( 1.829 -0.494 3.321) 3.823 4.393 ( -0.725 1.840 -4.731) 5.128 4.559 ( -1.405 2.435 -3.127) 4.205 4.670 ( -1.009 -0.286 -0.097) 1.053 4.704 ( -4.557 1.896 1.566) 5.178 4.994 ( 0.274 0.036 0.437) 0.517 5.276 ( -4.514 -5.489 0.304) 7.113 5.386 ( 6.431 5.236 -0.189) 8.295 5.570 ( 1.465 0.336 1.707) 2.274 5.656 ( -3.741 4.114 -2.087) 5.940 5.804 ( -0.625 0.338 -1.742) 1.881 5.857 ( 0.236 1.128 -0.399) 1.220 6.240 ( 2.059 -5.494 7.631) 9.626 6.322 ( 2.311 3.698 -1.210) 4.526 6.621 ( 6.871 -4.410 -4.445) 9.296 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -1.276 7.369 6.557) 9.946 0.688 ( -0.739 7.149 5.830) 9.255 0.741 ( -1.278 2.525 -3.147) 4.232 0.805 ( -1.162 0.214 3.760) 3.941 0.893 ( -2.138 0.852 3.288) 4.013 1.051 ( 0.105 -3.813 -5.693) 6.852 1.093 ( 2.385 1.674 4.646) 5.484 1.155 ( 1.678 4.457 -1.958) 5.149 1.320 ( 0.879 -0.501 -2.139) 2.366 1.346 ( -2.744 -1.881 -1.967) 3.864 1.369 ( -2.442 9.939 2.269) 10.483 1.444 ( -0.722 -1.748 0.155) 1.898 1.494 ( 2.933 -2.641 1.849) 4.359 1.598 ( 0.030 -0.698 -1.671) 1.811 1.654 ( 0.695 -0.540 -0.773) 1.172 1.689 ( -1.159 -1.005 -1.496) 2.143 1.767 ( -1.309 -3.457 5.847) 6.917 1.845 ( 3.129 1.349 2.252) 4.084 1.943 ( 4.333 0.326 -3.801) 5.773 2.026 ( 0.625 1.732 1.676) 2.490 2.055 ( 3.192 -2.892 5.420) 6.923 2.145 ( 1.990 1.903 0.776) 2.861 2.265 ( 3.102 0.348 -2.051) 3.735 2.289 ( -0.463 -0.842 -4.561) 4.661 2.333 ( 1.131 0.625 0.171) 1.304 2.385 ( 2.963 1.673 0.431) 3.430 2.514 ( -0.484 -1.248 1.567) 2.060 2.555 ( 0.422 2.211 2.335) 3.243 2.590 ( -0.824 2.796 3.627) 4.653 2.664 ( 5.208 5.930 -0.619) 7.916 2.818 ( 0.621 -1.037 -1.117) 1.646 2.886 ( -0.452 4.635 3.072) 5.579 2.897 ( -1.233 -5.068 5.558) 7.623 3.142 ( -3.962 -2.532 -0.484) 4.727 3.186 ( -1.293 -0.455 -0.078) 1.373 3.209 ( -2.165 -3.884 -0.563) 4.482 3.260 ( 0.467 1.533 2.173) 2.700 3.379 ( -1.046 -1.641 -0.571) 2.029 3.633 ( -1.701 0.492 -4.669) 4.994 3.700 ( -3.720 -0.435 -4.728) 6.031 3.903 ( -0.844 -1.467 1.673) 2.379 3.960 ( 1.660 -0.811 -1.085) 2.142 4.037 ( -1.053 -1.947 -0.284) 2.232 4.129 ( 1.554 -1.855 -1.474) 2.834 4.247 ( -0.338 0.908 -0.898) 1.321 4.354 ( 0.013 -0.965 -0.123) 0.972 4.436 ( 3.379 -1.188 0.269) 3.592 4.509 ( -1.833 -1.040 -0.934) 2.306 4.639 ( -1.699 -4.950 0.952) 5.319 4.666 ( -1.428 -5.407 1.484) 5.786 5.034 ( 3.268 2.585 0.647) 4.217 5.193 ( -4.739 -3.527 0.221) 5.912 5.499 ( 5.032 8.364 -0.011) 9.761 5.581 ( -2.282 2.951 -0.949) 3.849 5.616 ( 1.492 3.204 3.170) 4.748 5.778 ( 0.264 -0.935 -1.437) 1.735 5.836 ( -1.316 -0.928 -0.786) 1.792 6.153 ( -9.520 -7.724 -1.965) 12.416 6.474 ( 6.089 5.918 3.596) 9.222 6.687 ( 6.702 1.098 -6.053) 9.097 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -0.438 3.149 1.390) 3.470 0.750 ( -0.032 0.030 0.145) 0.152 0.807 ( 0.182 4.003 -0.162) 4.010 0.856 ( -0.071 0.391 -4.993) 5.008 0.915 ( 2.624 -1.808 7.107) 7.789 0.945 ( 1.042 -3.754 1.842) 4.310 1.108 ( 0.920 1.468 0.211) 1.745 1.153 ( -1.037 -2.939 -2.700) 4.124 1.319 ( -1.468 2.038 1.048) 2.721 1.337 ( -1.798 0.477 -0.152) 1.866 1.391 ( 1.551 1.464 -2.037) 2.949 1.441 ( -1.855 -2.109 -5.577) 6.245 1.552 ( 0.430 -0.125 3.235) 3.266 1.582 ( 1.012 -2.545 -0.077) 2.740 1.689 ( -0.583 5.888 1.663) 6.146 1.716 ( 1.120 5.005 -0.084) 5.129 1.828 ( 0.294 1.149 9.263) 9.339 1.853 ( 1.217 -4.045 8.280) 9.295 1.983 ( -2.790 1.161 -7.096) 7.713 2.013 ( -1.144 -3.825 -5.245) 6.592 2.155 ( 2.422 3.069 0.112) 3.911 2.174 ( 1.042 -1.654 -0.779) 2.104 2.229 ( -3.243 4.580 1.186) 5.736 2.285 ( 0.145 0.608 -2.325) 2.407 2.393 ( -1.823 -1.525 0.781) 2.502 2.411 ( 5.239 -1.284 -1.172) 5.519 2.573 ( 0.546 1.824 2.943) 3.505 2.594 ( -0.196 0.026 0.925) 0.946 2.742 ( 2.627 4.469 4.371) 6.781 2.790 ( -3.844 2.892 -0.049) 4.811 2.817 ( -0.649 -2.048 2.531) 3.320 2.845 ( 1.578 -1.598 -0.699) 2.352 2.988 ( 0.620 1.753 1.857) 2.628 3.007 ( -2.986 -1.091 -0.449) 3.211 3.147 ( 0.088 0.106 0.181) 0.227 3.173 ( 2.217 -1.930 -1.866) 3.482 3.323 ( 0.017 0.942 2.089) 2.292 3.339 ( -0.782 -0.735 0.512) 1.189 3.569 ( -0.461 0.291 -2.946) 2.996 3.580 ( -1.208 -0.801 -3.683) 3.958 3.883 ( -0.138 -0.870 0.196) 0.902 3.900 ( 0.901 -2.666 -1.537) 3.206 4.061 ( 0.687 1.889 1.846) 2.729 4.093 ( -0.082 -1.039 -0.974) 1.427 4.242 ( -0.248 0.078 0.015) 0.260 4.270 ( -2.042 -2.389 -2.235) 3.856 4.430 ( 0.692 -2.293 0.254) 2.409 4.433 ( 0.719 -2.351 -0.096) 2.460 4.603 ( 0.992 -0.120 1.581) 1.870 4.614 ( 0.469 -1.068 0.573) 1.300 5.118 ( 0.313 0.437 0.535) 0.758 5.123 ( -0.234 -0.043 0.092) 0.255 5.580 ( -0.458 1.033 -0.610) 1.284 5.593 ( 0.652 -0.083 -1.725) 1.846 5.764 ( 3.611 1.023 1.171) 3.932 5.776 ( -3.695 0.492 -0.172) 3.731 5.819 ( 4.144 0.308 1.079) 4.293 5.852 ( -5.642 -2.626 -2.295) 6.633 6.664 ( -0.213 3.848 1.896) 4.295 6.710 ( 0.681 -0.911 -2.685) 2.916 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 0.660 1.749 -1.788) 2.587 0.749 ( 1.000 1.558 1.137) 2.173 0.846 ( 3.982 2.167 -0.045) 4.534 0.878 ( 4.677 -0.581 3.172) 5.681 0.933 ( -0.047 0.379 -5.809) 5.821 0.968 ( 0.556 -3.134 -3.299) 4.584 1.090 ( -0.959 3.509 -0.693) 3.703 1.163 ( 1.611 -3.932 0.788) 4.322 1.296 ( -2.150 0.478 2.942) 3.675 1.317 ( -1.924 -1.288 1.918) 3.007 1.390 ( 1.722 4.270 0.625) 4.646 1.460 ( 2.848 -2.788 2.448) 4.677 1.534 ( -3.566 0.664 -1.594) 3.962 1.566 ( -1.497 -3.192 -1.954) 4.031 1.683 ( -1.142 7.576 0.978) 7.723 1.715 ( -0.007 5.121 -2.044) 5.514 1.846 ( -4.412 -0.597 -2.934) 5.332 1.870 ( -3.512 -4.354 -6.157) 8.319 1.961 ( 0.656 -0.064 6.978) 7.010 1.978 ( 0.210 -3.909 5.657) 6.879 2.069 ( -5.824 6.264 -1.939) 8.770 2.153 ( -2.739 -3.580 -3.072) 5.455 2.209 ( -3.495 -0.711 2.931) 4.617 2.247 ( -2.723 -1.684 1.222) 3.427 2.375 ( 1.341 5.380 -2.867) 6.242 2.461 ( 0.921 -0.293 -2.788) 2.951 2.546 ( -3.168 0.898 -1.615) 3.668 2.577 ( -2.579 -1.419 -0.164) 2.949 2.704 ( -3.799 5.503 0.421) 6.701 2.783 ( -3.386 0.104 -0.018) 3.388 2.818 ( -0.870 2.021 -1.713) 2.788 2.859 ( 2.152 -2.772 0.075) 3.511 2.960 ( -1.902 0.888 0.040) 2.099 3.022 ( 0.168 -4.757 4.287) 6.406 3.165 ( 2.334 0.955 -1.099) 2.751 3.197 ( 3.195 -1.987 -2.290) 4.404 3.316 ( -1.273 1.043 -0.244) 1.664 3.338 ( -0.380 -1.165 0.978) 1.568 3.580 ( 2.293 1.087 1.764) 3.091 3.601 ( 3.231 -1.013 2.749) 4.362 3.891 ( 1.365 0.244 -0.138) 1.393 3.919 ( 2.035 -2.474 -1.083) 3.382 4.075 ( 0.571 2.366 -1.623) 2.926 4.104 ( 1.751 -0.142 0.395) 1.800 4.240 ( 0.185 0.826 1.381) 1.620 4.285 ( 1.989 -3.263 3.543) 5.211 4.431 ( 0.731 1.254 -1.623) 2.178 4.480 ( 2.860 -3.566 -2.147) 5.051 4.609 ( 1.260 -0.107 -1.037) 1.635 4.626 ( 2.119 -1.775 -0.769) 2.869 5.089 ( -2.366 2.441 -0.133) 3.402 5.137 ( 0.680 -2.837 -0.093) 2.919 5.586 ( 0.884 2.624 0.705) 2.857 5.610 ( 2.064 -0.071 -1.189) 2.383 5.683 ( -5.046 1.164 -0.130) 5.180 5.717 ( -5.188 -1.710 -0.007) 5.463 5.877 ( 5.188 3.830 0.781) 6.496 5.967 ( 8.416 -5.678 2.752) 10.518 6.607 ( -7.460 3.395 0.043) 8.196 6.644 ( -5.283 -0.561 -0.921) 5.392 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.480 4.153 1.452) 4.425 0.780 ( 2.249 1.825 -2.116) 3.587 0.834 ( 2.121 0.454 -8.574) 8.844 0.868 ( -0.151 -2.458 -3.371) 4.174 1.000 ( 5.982 2.243 -0.429) 6.403 1.038 ( 6.575 -1.963 -0.043) 6.862 1.087 ( 0.517 2.067 0.497) 2.188 1.135 ( -1.369 -2.035 -1.623) 2.941 1.301 ( -1.242 3.671 2.014) 4.367 1.345 ( 0.296 -1.079 2.398) 2.647 1.405 ( -2.256 -1.263 -2.459) 3.568 1.420 ( 0.050 -1.840 -1.957) 2.686 1.519 ( -0.540 1.691 2.155) 2.792 1.545 ( -2.541 0.299 3.846) 4.620 1.665 ( -3.048 0.375 -2.724) 4.105 1.671 ( -1.608 0.366 -0.958) 1.907 1.756 ( -3.167 2.768 5.541) 6.957 1.821 ( -3.285 0.236 5.536) 6.442 1.892 ( -2.578 3.898 -7.234) 8.612 1.975 ( -4.070 -0.700 0.140) 4.132 1.990 ( -1.957 -5.069 -6.257) 8.287 2.079 ( -4.541 -7.854 2.243) 9.346 2.176 ( -3.369 2.346 2.617) 4.868 2.226 ( -3.694 -3.294 1.890) 5.298 2.317 ( -2.880 4.350 -6.222) 8.120 2.384 ( -2.950 0.632 -2.290) 3.787 2.473 ( -2.064 0.581 -1.600) 2.676 2.535 ( -1.153 -2.670 -1.356) 3.209 2.660 ( -1.286 4.364 -2.782) 5.332 2.719 ( -1.190 0.277 -1.818) 2.190 2.781 ( -1.076 0.801 0.417) 1.405 2.832 ( -0.708 -4.235 -2.767) 5.108 2.981 ( 0.674 3.758 2.191) 4.402 3.063 ( -1.138 -4.515 2.572) 5.319 3.198 ( 2.477 0.423 -1.265) 2.814 3.229 ( 2.809 -2.795 -2.249) 4.557 3.305 ( 0.769 2.137 -0.032) 2.272 3.348 ( 0.784 -2.319 0.855) 2.593 3.662 ( 1.771 2.161 4.960) 5.693 3.700 ( 1.870 -1.762 5.042) 5.659 3.916 ( 1.513 0.244 -0.737) 1.700 3.931 ( 1.007 -1.073 -1.270) 1.944 4.083 ( 1.682 2.619 -0.429) 3.142 4.127 ( 1.492 -1.744 -0.695) 2.398 4.312 ( 2.939 4.144 2.955) 5.878 4.368 ( 2.139 0.905 1.696) 2.876 4.393 ( -1.756 0.887 -1.542) 2.500 4.465 ( 0.464 -3.802 1.456) 4.098 4.689 ( 7.534 1.275 -0.441) 7.654 4.717 ( 8.853 -1.478 -0.360) 8.982 5.043 ( -2.397 4.287 -0.269) 4.919 5.152 ( 1.597 -7.074 -0.371) 7.261 5.510 ( -8.184 5.511 -1.126) 9.930 5.585 ( -4.800 -2.477 -2.215) 5.838 5.660 ( 1.781 2.494 2.664) 4.060 5.718 ( 3.307 -2.930 1.927) 4.820 5.969 ( 3.588 7.053 -0.183) 7.915 6.129 ( 5.973 -9.660 0.576) 11.372 6.436 ( -9.931 5.183 -0.809) 11.231 6.511 ( -8.386 -2.816 0.233) 8.850 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.377 4.580 -7.527) 8.819 0.768 ( 0.770 2.577 -1.200) 2.945 0.795 ( 1.088 -1.950 -6.237) 6.625 0.851 ( -1.359 -3.785 -0.230) 4.028 0.971 ( 1.155 4.276 -7.233) 8.481 1.043 ( -0.943 -3.142 -5.724) 6.597 1.148 ( 3.618 2.615 0.565) 4.500 1.204 ( 5.002 -3.369 2.092) 6.383 1.315 ( -0.167 2.408 4.302) 4.933 1.357 ( -0.187 1.544 2.291) 2.769 1.404 ( 2.327 -0.753 1.903) 3.099 1.474 ( -2.409 3.487 3.704) 5.629 1.489 ( -2.278 0.534 0.443) 2.381 1.508 ( -2.158 -2.992 4.093) 5.510 1.580 ( -2.284 0.634 -1.888) 3.031 1.651 ( -0.388 -4.441 -0.741) 4.519 1.758 ( -2.829 2.567 -1.692) 4.178 1.796 ( 0.264 -1.061 -4.280) 4.417 1.857 ( -2.937 4.352 6.707) 8.518 1.898 ( -0.043 0.650 4.099) 4.151 1.937 ( -0.769 -4.277 -2.367) 4.949 2.036 ( -1.400 -8.739 1.369) 8.955 2.086 ( -5.434 3.947 -6.217) 9.152 2.128 ( -5.126 -2.993 -0.809) 5.990 2.229 ( -3.091 -1.684 -1.692) 3.906 2.291 ( -1.736 -5.598 -4.004) 7.098 2.446 ( -0.020 3.547 -3.909) 5.278 2.486 ( -0.578 0.271 -3.504) 3.562 2.618 ( -1.573 2.341 0.816) 2.936 2.673 ( -1.120 -2.743 -2.147) 3.659 2.803 ( 1.703 2.206 1.761) 3.297 2.835 ( 1.873 -1.334 0.453) 2.344 2.996 ( -0.228 2.574 0.049) 2.585 3.046 ( -2.190 -2.405 0.156) 3.256 3.210 ( 1.004 0.294 -1.064) 1.492 3.237 ( 1.107 -2.495 -1.744) 3.239 3.336 ( 1.682 1.424 0.062) 2.205 3.373 ( 0.433 -2.204 0.200) 2.255 3.743 ( 0.292 1.860 5.775) 6.075 3.775 ( -0.142 -1.488 5.437) 5.639 3.922 ( 1.163 -0.084 -2.079) 2.384 3.930 ( 0.649 -0.844 -1.551) 1.881 4.118 ( 1.771 1.990 0.914) 2.817 4.152 ( 1.438 -1.636 0.410) 2.216 4.292 ( -1.475 2.207 -2.395) 3.575 4.328 ( -1.688 -1.567 -3.140) 3.894 4.499 ( 4.956 6.141 6.910) 10.489 4.580 ( 3.407 -1.754 6.659) 7.683 4.825 ( 6.926 6.717 0.553) 9.664 4.901 ( 11.609 0.676 0.085) 11.629 4.997 ( -2.312 5.405 -0.547) 5.905 5.190 ( 2.886 -11.682 -0.522) 12.045 5.341 ( -8.776 6.108 -0.521) 10.705 5.454 ( -7.028 -5.692 -1.188) 9.121 5.735 ( 2.364 2.824 2.466) 4.432 5.798 ( 3.886 -3.003 -0.231) 4.917 5.957 ( -2.713 7.103 -3.189) 8.245 6.091 ( -6.892 -6.039 -5.318) 10.595 6.351 ( 0.400 1.804 1.833) 2.602 6.409 ( -3.924 -3.757 2.235) 5.874 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 0.508 1.147 -4.100) 4.288 0.698 ( -0.945 -3.308 -8.335) 9.017 0.788 ( -0.045 1.216 2.232) 2.542 0.815 ( -2.389 -1.490 0.206) 2.824 0.947 ( -1.794 0.480 -3.173) 3.676 0.965 ( 4.042 -1.050 -4.108) 5.858 1.215 ( 2.745 3.043 1.443) 4.345 1.261 ( 0.315 -0.712 -2.426) 2.548 1.354 ( -1.351 2.626 3.503) 4.582 1.385 ( 0.262 4.040 -0.345) 4.063 1.392 ( -0.919 -0.165 3.632) 3.750 1.475 ( -1.900 -4.108 -2.825) 5.336 1.488 ( -0.766 1.009 4.724) 4.891 1.546 ( 1.496 -3.917 4.983) 6.513 1.570 ( 0.123 0.796 -3.712) 3.798 1.610 ( 1.096 -1.675 -1.217) 2.342 1.779 ( 3.245 2.592 1.689) 4.484 1.821 ( 2.147 0.567 -2.616) 3.431 1.862 ( -2.520 4.102 0.674) 4.861 1.878 ( -1.128 2.885 -1.270) 3.348 1.906 ( -2.060 -3.046 1.843) 4.114 1.969 ( 0.411 -5.705 -1.959) 6.045 2.053 ( -1.298 -3.186 2.283) 4.129 2.070 ( 0.930 -4.341 2.266) 4.984 2.178 ( 0.443 -1.632 -2.684) 3.173 2.244 ( 2.955 -6.619 -6.897) 10.005 2.402 ( -0.053 2.289 -0.727) 2.403 2.425 ( -2.419 0.192 -2.338) 3.370 2.618 ( -0.370 0.798 1.718) 1.930 2.643 ( -0.365 -1.760 -0.972) 2.044 2.856 ( 1.383 2.012 1.333) 2.782 2.867 ( 0.181 0.898 0.103) 0.922 2.993 ( 0.417 0.422 0.095) 0.601 3.003 ( -1.558 -0.511 -0.794) 1.822 3.220 ( 0.592 0.059 -0.185) 0.623 3.231 ( 0.140 -1.049 -1.366) 1.728 3.354 ( -0.110 -0.456 0.339) 0.579 3.362 ( -0.646 -1.226 -0.448) 1.457 3.804 ( -0.748 0.720 5.114) 5.219 3.818 ( -1.455 -0.766 4.283) 4.587 3.915 ( 0.950 -0.469 -2.623) 2.829 3.918 ( 0.929 -0.776 -2.301) 2.599 4.155 ( 0.666 1.246 1.152) 1.823 4.170 ( -0.086 -0.346 -0.336) 0.490 4.259 ( -0.598 0.542 0.493) 0.946 4.276 ( -1.168 -1.131 -1.293) 2.077 4.643 ( 2.773 4.611 3.959) 6.680 4.660 ( -0.903 2.932 2.037) 3.683 4.915 ( 0.055 8.516 2.251) 8.809 4.955 ( -0.002 6.065 -1.611) 6.276 5.096 ( -1.772 1.445 1.753) 2.881 5.129 ( 2.379 0.590 -1.675) 2.969 5.319 ( -1.258 -6.694 0.264) 6.816 5.331 ( 1.543 -6.892 -1.002) 7.134 5.779 ( 0.099 1.136 1.240) 1.685 5.820 ( 0.658 -2.165 -3.306) 4.006 5.896 ( 0.662 1.172 0.070) 1.348 5.924 ( -3.752 -0.934 -2.805) 4.777 6.390 ( -1.297 -0.822 1.471) 2.126 6.400 ( 2.261 -1.905 0.400) 2.984 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.120 1.679 -0.557) 1.773 0.674 ( 0.810 -2.455 3.100) 4.037 0.764 ( -3.095 1.394 0.822) 3.492 0.804 ( -0.969 -2.639 4.207) 5.060 0.910 ( 0.106 5.398 -0.694) 5.444 1.010 ( 3.694 -4.784 -2.302) 6.468 1.202 ( -1.085 3.112 -4.229) 5.361 1.253 ( -0.540 -1.453 -1.892) 2.446 1.364 ( -1.729 0.533 -0.618) 1.912 1.396 ( 0.969 4.261 2.390) 4.981 1.399 ( 0.075 -0.961 2.336) 2.527 1.460 ( -2.157 -0.620 -0.072) 2.246 1.525 ( 0.358 -0.336 1.785) 1.851 1.555 ( -0.480 -0.015 -2.365) 2.413 1.582 ( 4.169 -0.734 -1.946) 4.659 1.608 ( 1.532 -2.414 -0.146) 2.862 1.715 ( -2.484 2.497 1.914) 4.009 1.755 ( -2.328 -1.208 -1.579) 3.061 1.891 ( 1.306 1.428 1.400) 2.389 1.950 ( 3.961 5.914 5.117) 8.766 1.978 ( 4.249 -3.412 -3.037) 6.239 2.026 ( 3.372 2.101 -4.573) 6.058 2.076 ( 1.601 -1.857 -1.130) 2.699 2.108 ( 6.603 -4.713 1.258) 8.209 2.194 ( 2.321 -4.585 2.326) 5.640 2.253 ( 6.536 -7.937 -4.473) 11.213 2.383 ( -1.008 3.283 1.901) 3.925 2.434 ( 1.019 -1.468 3.080) 3.561 2.633 ( 0.338 0.076 -0.491) 0.600 2.638 ( 0.178 -0.635 1.611) 1.741 2.830 ( -2.592 2.597 -1.318) 3.898 2.854 ( -1.925 0.147 -1.103) 2.223 2.986 ( 0.138 2.436 0.745) 2.551 3.034 ( 2.430 -2.502 1.148) 3.671 3.206 ( -0.996 -0.000 -0.631) 1.180 3.222 ( -0.603 -1.633 -0.222) 1.755 3.329 ( -2.044 1.196 0.605) 2.444 3.367 ( -0.319 -2.601 0.621) 2.693 3.809 ( -2.405 0.966 0.430) 2.628 3.826 ( -1.775 -0.840 1.422) 2.424 3.899 ( 0.364 0.395 -1.119) 1.241 3.921 ( 1.456 -1.887 -1.250) 2.692 4.139 ( -2.046 1.404 -1.051) 2.695 4.156 ( -1.456 -0.292 0.097) 1.488 4.264 ( 0.078 0.669 0.923) 1.143 4.281 ( 0.857 -0.962 2.174) 2.527 4.588 ( -5.149 6.479 -2.462) 8.635 4.667 ( -2.180 -0.967 -1.914) 3.058 4.842 ( -7.621 6.385 -0.780) 9.973 4.905 ( -11.455 2.830 -0.169) 11.801 4.988 ( 2.559 5.187 0.268) 5.790 5.189 ( -2.868 -11.745 -0.352) 12.096 5.339 ( 8.797 5.881 -0.350) 10.587 5.442 ( 6.600 -4.958 -0.108) 8.256 5.775 ( -1.479 1.197 -0.669) 2.016 5.806 ( 0.376 -2.046 -1.489) 2.558 5.898 ( 0.705 3.774 2.052) 4.353 5.982 ( 4.877 -4.761 4.877) 8.381 6.377 ( 0.342 3.038 -0.687) 3.134 6.450 ( 4.217 -4.442 -1.550) 6.318 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -2.301 3.576 6.440) 7.717 0.695 ( -2.269 -2.095 4.885) 5.780 0.793 ( 2.062 4.435 2.703) 5.588 0.865 ( 1.463 -2.049 -0.036) 2.518 0.905 ( -2.265 5.060 3.732) 6.683 1.011 ( -2.301 -5.140 0.238) 5.637 1.126 ( -0.908 1.969 -4.132) 4.666 1.174 ( -1.425 -2.822 -4.248) 5.295 1.341 ( -0.092 0.249 -1.063) 1.096 1.375 ( -0.122 4.200 -2.262) 4.772 1.393 ( 0.721 -4.070 -1.485) 4.392 1.454 ( -3.784 -2.049 -4.163) 5.988 1.498 ( 0.695 6.296 6.702) 9.221 1.598 ( 0.996 -2.043 5.659) 6.098 1.638 ( 4.561 0.355 -4.773) 6.611 1.658 ( 1.554 -1.423 -1.993) 2.901 1.769 ( 1.941 3.287 4.818) 6.147 1.806 ( 5.297 2.348 6.698) 8.856 1.903 ( -3.019 -2.422 -5.070) 6.378 1.911 ( -1.063 -3.307 -0.416) 3.499 2.008 ( 6.387 4.535 -5.640) 9.653 2.101 ( 4.019 2.473 3.691) 5.991 2.141 ( 7.018 0.612 0.507) 7.063 2.261 ( 7.785 -1.451 -2.897) 8.433 2.291 ( 2.821 -7.030 4.474) 8.797 2.323 ( 3.497 -5.357 -2.134) 6.744 2.430 ( 1.821 4.957 3.731) 6.466 2.494 ( 3.396 -0.786 1.583) 3.829 2.639 ( 0.370 1.157 0.142) 1.223 2.669 ( 0.765 -1.797 2.930) 3.522 2.780 ( -1.558 1.731 0.215) 2.339 2.805 ( -1.478 -0.428 0.337) 1.575 2.997 ( -0.191 4.299 0.297) 4.313 3.084 ( 1.604 -4.618 0.365) 4.902 3.183 ( -1.351 -0.428 -0.015) 1.417 3.200 ( -2.080 -2.266 0.574) 3.129 3.299 ( -1.826 2.569 0.637) 3.215 3.354 ( -1.432 -3.137 0.268) 3.459 3.747 ( -2.705 1.918 -2.900) 4.405 3.779 ( -2.624 -1.408 -2.376) 3.809 3.899 ( -0.298 0.748 0.396) 0.898 3.930 ( 0.635 -2.450 -0.867) 2.675 4.087 ( -2.352 2.307 -0.753) 3.380 4.121 ( -2.065 -1.206 -0.013) 2.391 4.290 ( 0.226 2.716 2.324) 3.581 4.334 ( 1.459 -1.815 3.082) 3.863 4.459 ( -3.900 5.192 -4.663) 7.994 4.555 ( -4.090 -3.738 -5.383) 7.726 4.680 ( -8.293 2.071 0.060) 8.548 4.715 ( -9.556 -0.883 -0.154) 9.598 5.036 ( 2.359 4.440 0.418) 5.046 5.147 ( -1.436 -7.034 0.103) 7.180 5.493 ( 7.851 4.787 0.486) 9.208 5.554 ( 5.058 -1.967 1.068) 5.531 5.716 ( -2.074 2.560 -2.998) 4.454 5.767 ( -1.014 -2.873 -3.158) 4.388 5.934 ( -2.431 6.453 3.299) 7.644 6.082 ( -2.865 -8.996 5.115) 10.738 6.435 ( 7.915 6.222 -0.726) 10.094 6.537 ( 8.399 -4.787 -2.034) 9.879 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -0.241 4.272 6.801) 8.035 0.747 ( -0.746 0.137 5.489) 5.541 0.787 ( 0.899 2.152 -3.078) 3.862 0.816 ( -3.174 -0.038 1.822) 3.660 0.915 ( -2.701 1.666 1.896) 3.696 0.962 ( -1.533 -3.972 -2.871) 5.135 1.099 ( 0.545 1.849 -0.719) 2.057 1.160 ( 1.306 -4.023 -0.007) 4.229 1.333 ( 0.418 1.606 -1.150) 2.019 1.356 ( -1.121 0.250 -3.032) 3.242 1.407 ( 1.906 0.302 1.674) 2.555 1.441 ( 2.930 -1.759 2.751) 4.387 1.539 ( -1.013 4.695 -2.486) 5.408 1.593 ( -0.152 -1.146 -2.748) 2.982 1.668 ( 0.621 -0.204 3.493) 3.554 1.671 ( 0.422 1.205 1.484) 1.958 1.781 ( -2.181 2.791 0.192) 3.547 1.824 ( -2.315 -1.364 0.748) 2.789 1.969 ( 5.374 -0.621 3.055) 6.213 1.997 ( 4.522 -1.472 6.113) 7.745 2.072 ( 4.849 4.969 -2.752) 7.469 2.171 ( 2.772 -2.732 -2.505) 4.628 2.277 ( 5.989 2.465 -3.307) 7.272 2.286 ( -1.512 2.123 -1.807) 3.172 2.317 ( 3.695 -1.718 -0.141) 4.077 2.386 ( 0.097 -4.207 4.461) 6.133 2.508 ( 2.910 3.205 2.057) 4.793 2.567 ( 1.983 -1.543 0.617) 2.587 2.660 ( 0.887 4.549 3.346) 5.716 2.746 ( 3.399 -2.763 3.543) 5.634 2.785 ( 0.913 2.230 1.839) 3.032 2.832 ( 0.796 -1.617 2.060) 2.737 2.980 ( -0.888 4.884 -0.696) 5.013 3.073 ( -2.815 -4.751 -0.763) 5.575 3.160 ( -1.204 -0.873 -0.184) 1.499 3.168 ( -0.878 -1.247 0.041) 1.525 3.297 ( 0.126 2.160 1.495) 2.630 3.340 ( -0.466 -2.360 0.429) 2.444 3.653 ( -2.778 1.543 -4.651) 5.633 3.682 ( -3.571 -1.407 -4.540) 5.945 3.890 ( -0.902 0.329 0.045) 0.961 3.919 ( -0.439 -2.612 -1.190) 2.904 4.051 ( -1.304 2.591 0.642) 2.971 4.098 ( -0.769 -2.037 0.571) 2.251 4.285 ( -2.016 3.128 -1.744) 4.110 4.338 ( -2.493 -1.541 -1.298) 3.205 4.410 ( 0.761 -0.014 0.199) 0.787 4.459 ( -1.661 -4.007 -1.295) 4.527 4.586 ( -2.832 -0.538 1.353) 3.185 4.601 ( -2.927 -1.918 1.635) 3.862 5.082 ( 2.181 2.597 0.508) 3.429 5.133 ( -0.689 -2.949 0.312) 3.044 5.597 ( 1.662 2.243 0.264) 2.804 5.610 ( 0.156 0.425 -1.382) 1.454 5.680 ( 2.981 3.581 -0.531) 4.690 5.741 ( 2.762 -2.805 -2.085) 4.455 5.877 ( -5.690 5.133 0.858) 7.711 6.002 ( -7.773 -7.859 -0.378) 11.060 6.585 ( 6.811 5.448 1.111) 8.792 6.666 ( 7.166 -3.004 -1.980) 8.018 =================== 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 3/16800 10.0 4.972 5.695 8.255 0.000 -0.201 0.000 3/16800 20.0 1.279 1.569 2.148 0.000 -0.028 0.000 3/16800 30.0 0.734 0.897 1.195 0.000 -0.009 0.000 3/16800 40.0 0.528 0.641 0.829 0.000 -0.005 0.000 3/16800 50.0 0.423 0.510 0.640 0.000 -0.003 0.000 3/16800 60.0 0.361 0.431 0.524 0.000 -0.002 0.000 3/16800 70.0 0.320 0.378 0.447 0.000 -0.001 0.000 3/16800 80.0 0.289 0.339 0.391 0.000 -0.001 0.000 3/16800 90.0 0.265 0.309 0.348 0.000 -0.001 0.000 3/16800 100.0 0.245 0.284 0.315 0.000 -0.001 0.000 3/16800 110.0 0.228 0.263 0.287 0.000 -0.000 0.000 3/16800 120.0 0.213 0.245 0.264 0.000 -0.000 0.000 3/16800 130.0 0.200 0.229 0.245 0.000 -0.000 0.000 3/16800 140.0 0.188 0.215 0.228 0.000 -0.000 0.000 3/16800 150.0 0.178 0.202 0.213 0.000 -0.000 0.000 3/16800 160.0 0.168 0.191 0.200 0.000 -0.000 0.000 3/16800 170.0 0.160 0.181 0.189 0.000 -0.000 0.000 3/16800 180.0 0.152 0.172 0.179 0.000 -0.000 0.000 3/16800 190.0 0.145 0.164 0.170 0.000 -0.000 0.000 3/16800 200.0 0.139 0.157 0.161 0.000 -0.000 0.000 3/16800 210.0 0.133 0.150 0.154 0.000 -0.000 0.000 3/16800 220.0 0.127 0.144 0.147 0.000 -0.000 0.000 3/16800 230.0 0.122 0.138 0.141 0.000 -0.000 0.000 3/16800 240.0 0.117 0.132 0.135 0.000 -0.000 0.000 3/16800 250.0 0.113 0.127 0.130 0.000 -0.000 0.000 3/16800 260.0 0.109 0.123 0.125 0.000 -0.000 0.000 3/16800 270.0 0.105 0.118 0.120 0.000 -0.000 0.000 3/16800 280.0 0.102 0.114 0.116 0.000 -0.000 0.000 3/16800 290.0 0.098 0.111 0.112 0.000 -0.000 0.000 3/16800 300.0 0.095 0.107 0.109 0.000 -0.000 0.000 3/16800 310.0 0.092 0.104 0.105 0.000 -0.000 0.000 3/16800 320.0 0.090 0.101 0.102 0.000 -0.000 0.000 3/16800 330.0 0.087 0.098 0.099 0.000 -0.000 0.000 3/16800 340.0 0.085 0.095 0.096 0.000 -0.000 0.000 3/16800 350.0 0.082 0.092 0.093 0.000 -0.000 0.000 3/16800 360.0 0.080 0.090 0.091 0.000 -0.000 0.000 3/16800 370.0 0.078 0.088 0.088 0.000 -0.000 0.000 3/16800 380.0 0.076 0.085 0.086 0.000 -0.000 0.000 3/16800 390.0 0.074 0.083 0.084 0.000 -0.000 0.000 3/16800 400.0 0.072 0.081 0.082 0.000 -0.000 0.000 3/16800 410.0 0.071 0.079 0.080 0.000 -0.000 0.000 3/16800 420.0 0.069 0.077 0.078 0.000 -0.000 0.000 3/16800 430.0 0.067 0.076 0.076 0.000 -0.000 0.000 3/16800 440.0 0.066 0.074 0.074 0.000 -0.000 0.000 3/16800 450.0 0.065 0.072 0.073 0.000 -0.000 0.000 3/16800 460.0 0.063 0.071 0.071 0.000 -0.000 0.000 3/16800 470.0 0.062 0.069 0.070 0.000 -0.000 0.000 3/16800 480.0 0.061 0.068 0.068 0.000 -0.000 0.000 3/16800 490.0 0.059 0.067 0.067 0.000 -0.000 0.000 3/16800 500.0 0.058 0.065 0.065 0.000 -0.000 0.000 3/16800 510.0 0.057 0.064 0.064 0.000 -0.000 0.000 3/16800 520.0 0.056 0.063 0.063 0.000 -0.000 0.000 3/16800 530.0 0.055 0.062 0.062 0.000 -0.000 0.000 3/16800 540.0 0.054 0.060 0.061 0.000 -0.000 0.000 3/16800 550.0 0.053 0.059 0.060 0.000 -0.000 0.000 3/16800 560.0 0.052 0.058 0.058 0.000 -0.000 0.000 3/16800 570.0 0.051 0.057 0.057 0.000 -0.000 0.000 3/16800 580.0 0.050 0.056 0.056 0.000 -0.000 0.000 3/16800 590.0 0.049 0.055 0.056 0.000 -0.000 0.000 3/16800 600.0 0.049 0.054 0.055 0.000 -0.000 0.000 3/16800 610.0 0.048 0.054 0.054 0.000 -0.000 0.000 3/16800 620.0 0.047 0.053 0.053 0.000 -0.000 0.000 3/16800 630.0 0.046 0.052 0.052 0.000 -0.000 0.000 3/16800 640.0 0.046 0.051 0.051 0.000 -0.000 0.000 3/16800 650.0 0.045 0.050 0.050 0.000 -0.000 0.000 3/16800 660.0 0.044 0.050 0.050 0.000 -0.000 0.000 3/16800 670.0 0.044 0.049 0.049 0.000 -0.000 0.000 3/16800 680.0 0.043 0.048 0.048 0.000 -0.000 0.000 3/16800 690.0 0.042 0.047 0.048 0.000 -0.000 0.000 3/16800 700.0 0.042 0.047 0.047 0.000 -0.000 0.000 3/16800 710.0 0.041 0.046 0.046 0.000 -0.000 0.000 3/16800 720.0 0.041 0.045 0.046 0.000 -0.000 0.000 3/16800 730.0 0.040 0.045 0.045 0.000 -0.000 0.000 3/16800 740.0 0.040 0.044 0.044 0.000 -0.000 0.000 3/16800 750.0 0.039 0.044 0.044 0.000 -0.000 0.000 3/16800 760.0 0.039 0.043 0.043 0.000 -0.000 0.000 3/16800 770.0 0.038 0.043 0.043 0.000 -0.000 0.000 3/16800 780.0 0.038 0.042 0.042 0.000 -0.000 0.000 3/16800 790.0 0.037 0.041 0.042 0.000 -0.000 0.000 3/16800 800.0 0.037 0.041 0.041 0.000 -0.000 0.000 3/16800 810.0 0.036 0.040 0.040 0.000 -0.000 0.000 3/16800 820.0 0.036 0.040 0.040 0.000 -0.000 0.000 3/16800 830.0 0.035 0.040 0.040 0.000 -0.000 0.000 3/16800 840.0 0.035 0.039 0.039 0.000 -0.000 0.000 3/16800 850.0 0.034 0.039 0.039 0.000 -0.000 0.000 3/16800 860.0 0.034 0.038 0.038 0.000 -0.000 0.000 3/16800 870.0 0.034 0.038 0.038 0.000 -0.000 0.000 3/16800 880.0 0.033 0.037 0.037 0.000 -0.000 0.000 3/16800 890.0 0.033 0.037 0.037 0.000 -0.000 0.000 3/16800 900.0 0.033 0.036 0.036 0.000 -0.000 0.000 3/16800 910.0 0.032 0.036 0.036 0.000 -0.000 0.000 3/16800 920.0 0.032 0.036 0.036 0.000 -0.000 0.000 3/16800 930.0 0.032 0.035 0.035 0.000 -0.000 0.000 3/16800 940.0 0.031 0.035 0.035 0.000 -0.000 0.000 3/16800 950.0 0.031 0.035 0.035 0.000 -0.000 0.000 3/16800 960.0 0.031 0.034 0.034 0.000 -0.000 0.000 3/16800 970.0 0.030 0.034 0.034 0.000 -0.000 0.000 3/16800 980.0 0.030 0.033 0.033 0.000 -0.000 0.000 3/16800 990.0 0.030 0.033 0.033 0.000 -0.000 0.000 3/16800 1000.0 0.029 0.033 0.033 0.000 -0.000 0.000 3/16800 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:52:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|