----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:08:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.820748110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.172529469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.766059529999999 Atomic positions (fractional): *1 O 0.28583630476121 0.45926061524258 0.71396492632388 15.999 2 O 0.21416369523879 0.54073938475742 0.21396492632388 15.999 3 O 0.78583630476121 0.04073938475742 0.78603507367612 15.999 4 O 0.71416369523879 0.95926061524258 0.28603507367612 15.999 5 O 0.71416369523879 0.54073938475742 0.28603507367612 15.999 6 O 0.78583630476121 0.45926061524258 0.78603507367612 15.999 7 O 0.21416369523879 0.95926061524258 0.21396492632388 15.999 8 O 0.28583630476121 0.04073938475742 0.71396492632388 15.999 *9 O 0.97990544806325 0.25000000000000 0.42308530219251 15.999 10 O 0.52009455193675 0.75000000000000 0.92308530219251 15.999 11 O 0.47990544806326 0.25000000000000 0.07691469780749 15.999 12 O 0.02009455193674 0.75000000000000 0.57691469780749 15.999 *13 Sr 0.53261648422309 0.25000000000000 0.50752867116077 87.620 14 Sr 0.96738351577691 0.75000000000000 0.00752867116077 87.620 15 Sr 0.03261648422309 0.25000000000000 0.99247132883923 87.620 16 Sr 0.46738351577691 0.75000000000000 0.49247132883923 87.620 *17 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 18 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 19 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 20 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.820748110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.172529469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.766059529999999 Atomic positions (fractional): *1 O 0.28583630476121 0.45926061524258 0.71396492632388 15.999 > 1 2 O 0.21416369523879 0.54073938475742 0.21396492632388 15.999 > 2 3 O 0.78583630476121 0.04073938475742 0.78603507367612 15.999 > 3 4 O 0.71416369523879 0.95926061524258 0.28603507367612 15.999 > 4 5 O 0.71416369523879 0.54073938475742 0.28603507367612 15.999 > 5 6 O 0.78583630476121 0.45926061524258 0.78603507367612 15.999 > 6 7 O 0.21416369523879 0.95926061524258 0.21396492632388 15.999 > 7 8 O 0.28583630476121 0.04073938475742 0.71396492632388 15.999 > 8 *9 O 0.97990544806325 0.25000000000000 0.42308530219251 15.999 > 9 10 O 0.52009455193675 0.75000000000000 0.92308530219251 15.999 > 10 11 O 0.47990544806326 0.25000000000000 0.07691469780749 15.999 > 11 12 O 0.02009455193674 0.75000000000000 0.57691469780749 15.999 > 12 *13 Sr 0.53261648422309 0.25000000000000 0.50752867116077 87.620 > 13 14 Sr 0.96738351577691 0.75000000000000 0.00752867116077 87.620 > 14 15 Sr 0.03261648422309 0.25000000000000 0.99247132883923 87.620 > 15 16 Sr 0.46738351577691 0.75000000000000 0.49247132883923 87.620 > 16 *17 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 17 18 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 > 18 19 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 19 20 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.641496220000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.172529469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.532119059999998 Atomic positions (fractional): *1 O 0.14291815238061 0.45926061524258 0.35698246316194 15.999 > 1 2 O 0.64291815238061 0.45926061524258 0.35698246316194 15.999 > 1 3 O 0.14291815238061 0.45926061524258 0.85698246316194 15.999 > 1 4 O 0.64291815238061 0.45926061524258 0.85698246316194 15.999 > 1 5 O 0.10708184761939 0.54073938475742 0.10698246316194 15.999 > 2 6 O 0.60708184761939 0.54073938475742 0.10698246316194 15.999 > 2 7 O 0.10708184761939 0.54073938475742 0.60698246316194 15.999 > 2 8 O 0.60708184761939 0.54073938475742 0.60698246316194 15.999 > 2 9 O 0.39291815238061 0.04073938475742 0.39301753683806 15.999 > 3 10 O 0.89291815238061 0.04073938475742 0.39301753683806 15.999 > 3 11 O 0.39291815238061 0.04073938475742 0.89301753683806 15.999 > 3 12 O 0.89291815238061 0.04073938475742 0.89301753683806 15.999 > 3 13 O 0.35708184761939 0.95926061524258 0.14301753683806 15.999 > 4 14 O 0.85708184761939 0.95926061524258 0.14301753683806 15.999 > 4 15 O 0.35708184761939 0.95926061524258 0.64301753683806 15.999 > 4 16 O 0.85708184761939 0.95926061524258 0.64301753683806 15.999 > 4 17 O 0.35708184761939 0.54073938475742 0.14301753683806 15.999 > 5 18 O 0.85708184761939 0.54073938475742 0.14301753683806 15.999 > 5 19 O 0.35708184761939 0.54073938475742 0.64301753683806 15.999 > 5 20 O 0.85708184761939 0.54073938475742 0.64301753683806 15.999 > 5 21 O 0.39291815238061 0.45926061524258 0.39301753683806 15.999 > 6 22 O 0.89291815238061 0.45926061524258 0.39301753683806 15.999 > 6 23 O 0.39291815238061 0.45926061524258 0.89301753683806 15.999 > 6 24 O 0.89291815238061 0.45926061524258 0.89301753683806 15.999 > 6 25 O 0.10708184761939 0.95926061524258 0.10698246316194 15.999 > 7 26 O 0.60708184761939 0.95926061524258 0.10698246316194 15.999 > 7 27 O 0.10708184761939 0.95926061524258 0.60698246316194 15.999 > 7 28 O 0.60708184761939 0.95926061524258 0.60698246316194 15.999 > 7 29 O 0.14291815238061 0.04073938475742 0.35698246316194 15.999 > 8 30 O 0.64291815238061 0.04073938475742 0.35698246316194 15.999 > 8 31 O 0.14291815238061 0.04073938475742 0.85698246316194 15.999 > 8 32 O 0.64291815238061 0.04073938475742 0.85698246316194 15.999 > 8 *33 O 0.48995272403163 0.25000000000000 0.21154265109625 15.999 > 9 34 O 0.98995272403163 0.25000000000000 0.21154265109625 15.999 > 9 35 O 0.48995272403163 0.25000000000000 0.71154265109625 15.999 > 9 36 O 0.98995272403163 0.25000000000000 0.71154265109625 15.999 > 9 37 O 0.26004727596837 0.75000000000000 0.46154265109625 15.999 > 10 38 O 0.76004727596837 0.75000000000000 0.46154265109625 15.999 > 10 39 O 0.26004727596837 0.75000000000000 0.96154265109625 15.999 > 10 40 O 0.76004727596837 0.75000000000000 0.96154265109625 15.999 > 10 41 O 0.23995272403163 0.25000000000000 0.03845734890375 15.999 > 11 42 O 0.73995272403163 0.25000000000000 0.03845734890375 15.999 > 11 43 O 0.23995272403163 0.25000000000000 0.53845734890375 15.999 > 11 44 O 0.73995272403163 0.25000000000000 0.53845734890375 15.999 > 11 45 O 0.01004727596837 0.75000000000000 0.28845734890375 15.999 > 12 46 O 0.51004727596837 0.75000000000000 0.28845734890375 15.999 > 12 47 O 0.01004727596837 0.75000000000000 0.78845734890375 15.999 > 12 48 O 0.51004727596837 0.75000000000000 0.78845734890375 15.999 > 12 *49 Sr 0.26630824211154 0.25000000000000 0.25376433558039 87.620 > 13 50 Sr 0.76630824211154 0.25000000000000 0.25376433558039 87.620 > 13 51 Sr 0.26630824211154 0.25000000000000 0.75376433558039 87.620 > 13 52 Sr 0.76630824211154 0.25000000000000 0.75376433558039 87.620 > 13 53 Sr 0.48369175788846 0.75000000000000 0.00376433558039 87.620 > 14 54 Sr 0.98369175788846 0.75000000000000 0.00376433558039 87.620 > 14 55 Sr 0.48369175788846 0.75000000000000 0.50376433558039 87.620 > 14 56 Sr 0.98369175788846 0.75000000000000 0.50376433558039 87.620 > 14 57 Sr 0.01630824211154 0.25000000000000 0.49623566441961 87.620 > 15 58 Sr 0.51630824211154 0.25000000000000 0.49623566441961 87.620 > 15 59 Sr 0.01630824211154 0.25000000000000 0.99623566441961 87.620 > 15 60 Sr 0.51630824211154 0.25000000000000 0.99623566441961 87.620 > 15 61 Sr 0.23369175788846 0.75000000000000 0.24623566441961 87.620 > 16 62 Sr 0.73369175788846 0.75000000000000 0.24623566441961 87.620 > 16 63 Sr 0.23369175788846 0.75000000000000 0.74623566441961 87.620 > 16 64 Sr 0.73369175788846 0.75000000000000 0.74623566441961 87.620 > 16 *65 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 17 66 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 17 67 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 17 68 Zr 0.50000000000000 0.00000000000000 0.75000000000000 91.224 > 17 69 Zr 0.25000000000000 0.00000000000000 0.00000000000000 91.224 > 18 70 Zr 0.75000000000000 0.00000000000000 0.00000000000000 91.224 > 18 71 Zr 0.25000000000000 0.00000000000000 0.50000000000000 91.224 > 18 72 Zr 0.75000000000000 0.00000000000000 0.50000000000000 91.224 > 18 73 Zr 0.25000000000000 0.50000000000000 0.00000000000000 91.224 > 19 74 Zr 0.75000000000000 0.50000000000000 0.00000000000000 91.224 > 19 75 Zr 0.25000000000000 0.50000000000000 0.50000000000000 91.224 > 19 76 Zr 0.75000000000000 0.50000000000000 0.50000000000000 91.224 > 19 77 Zr 0.00000000000000 0.50000000000000 0.25000000000000 91.224 > 20 78 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 20 79 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 20 80 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7123058 0.0000000 0.0000000 0.0000000 4.7275833 0.0000000 0.0000000 0.0000000 4.7155910 -------------------------- Born effective charges -------------------------- 1 O -3.3209011 0.0690692 -1.3927892 0.0846827 -1.8645898 -0.0018319 -1.3591328 -0.0047906 -3.2580471 2 O -3.3209011 0.0690692 1.3927892 0.0846827 -1.8645898 0.0018319 1.3591328 0.0047906 -3.2580471 3 O -3.3209011 -0.0690692 1.3927892 -0.0846827 -1.8645898 -0.0018319 1.3591328 -0.0047906 -3.2580471 4 O -3.3209011 -0.0690692 -1.3927892 -0.0846827 -1.8645898 0.0018319 -1.3591328 0.0047906 -3.2580471 5 O -3.3209011 0.0690692 -1.3927892 0.0846827 -1.8645898 -0.0018319 -1.3591328 -0.0047906 -3.2580471 6 O -3.3209011 0.0690692 1.3927892 0.0846827 -1.8645898 0.0018319 1.3591328 0.0047906 -3.2580471 7 O -3.3209011 -0.0690692 1.3927892 -0.0846827 -1.8645898 -0.0018319 1.3591328 -0.0047906 -3.2580471 8 O -3.3209011 -0.0690692 -1.3927892 -0.0846827 -1.8645898 0.0018319 -1.3591328 0.0047906 -3.2580471 9 O -1.7979574 0.0000000 0.0914679 0.0000000 -4.7244366 0.0000000 0.0189687 0.0000000 -2.0138400 10 O -1.7979574 0.0000000 -0.0914679 0.0000000 -4.7244366 0.0000000 -0.0189687 0.0000000 -2.0138400 11 O -1.7979574 0.0000000 -0.0914679 0.0000000 -4.7244366 0.0000000 -0.0189687 0.0000000 -2.0138400 12 O -1.7979574 0.0000000 0.0914679 0.0000000 -4.7244366 0.0000000 0.0189687 0.0000000 -2.0138400 13 Sr 2.4734461 0.0000000 -0.1445762 0.0000000 2.4590931 0.0000000 -0.1275035 0.0000000 2.5524513 14 Sr 2.4734461 0.0000000 0.1445762 0.0000000 2.4590931 0.0000000 0.1275035 0.0000000 2.5524513 15 Sr 2.4734461 0.0000000 0.1445762 0.0000000 2.4590931 0.0000000 0.1275035 0.0000000 2.5524513 16 Sr 2.4734461 0.0000000 -0.1445762 0.0000000 2.4590931 0.0000000 -0.1275035 0.0000000 2.5524513 17 Zr 5.9663136 -0.0799847 -0.2139434 -0.1507971 5.9945232 -0.3464257 0.3297910 0.5185524 5.9774829 18 Zr 5.9663136 -0.0799847 0.2139434 -0.1507971 5.9945232 0.3464257 -0.3297910 -0.5185524 5.9774829 19 Zr 5.9663136 0.0799847 0.2139434 0.1507971 5.9945232 -0.3464257 -0.3297910 0.5185524 5.9774829 20 Zr 5.9663136 0.0799847 -0.2139434 0.1507971 5.9945232 0.3464257 0.3297910 -0.5185524 5.9774829 ---------------------------------------------------------------------------- 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.724 Solver_block: 200 / 320 - Time: 0.726 Solver_block: 300 / 320 - Time: 0.726 Solver_block: 320 / 320 - Time: 0.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.372 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:08:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.820748110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.172529469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.766059529999999 Atomic positions (fractional): 1 O 0.28583630476121 0.45926061524258 0.71396492632388 15.999 2 O 0.21416369523879 0.54073938475742 0.21396492632388 15.999 3 O 0.78583630476121 0.04073938475742 0.78603507367612 15.999 4 O 0.71416369523879 0.95926061524258 0.28603507367612 15.999 5 O 0.71416369523879 0.54073938475742 0.28603507367612 15.999 6 O 0.78583630476121 0.45926061524258 0.78603507367612 15.999 7 O 0.21416369523879 0.95926061524258 0.21396492632388 15.999 8 O 0.28583630476121 0.04073938475742 0.71396492632388 15.999 9 O 0.97990544806325 0.25000000000000 0.42308530219251 15.999 10 O 0.52009455193675 0.75000000000000 0.92308530219251 15.999 11 O 0.47990544806326 0.25000000000000 0.07691469780749 15.999 12 O 0.02009455193674 0.75000000000000 0.57691469780749 15.999 13 Sr 0.53261648422309 0.25000000000000 0.50752867116077 87.620 14 Sr 0.96738351577691 0.75000000000000 0.00752867116077 87.620 15 Sr 0.03261648422309 0.25000000000000 0.99247132883923 87.620 16 Sr 0.46738351577691 0.75000000000000 0.49247132883923 87.620 17 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 18 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 19 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 20 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.641496220000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.172529469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.532119059999998 Atomic positions (fractional): 1 O 0.14291815238061 0.45926061524258 0.35698246316194 15.999 > 1 2 O 0.64291815238061 0.45926061524258 0.35698246316194 15.999 > 1 3 O 0.14291815238061 0.45926061524258 0.85698246316194 15.999 > 1 4 O 0.64291815238061 0.45926061524258 0.85698246316194 15.999 > 1 5 O 0.10708184761939 0.54073938475742 0.10698246316194 15.999 > 5 6 O 0.60708184761939 0.54073938475742 0.10698246316194 15.999 > 5 7 O 0.10708184761939 0.54073938475742 0.60698246316194 15.999 > 5 8 O 0.60708184761939 0.54073938475742 0.60698246316194 15.999 > 5 9 O 0.39291815238061 0.04073938475742 0.39301753683806 15.999 > 9 10 O 0.89291815238061 0.04073938475742 0.39301753683806 15.999 > 9 11 O 0.39291815238061 0.04073938475742 0.89301753683806 15.999 > 9 12 O 0.89291815238061 0.04073938475742 0.89301753683806 15.999 > 9 13 O 0.35708184761939 0.95926061524258 0.14301753683806 15.999 > 13 14 O 0.85708184761939 0.95926061524258 0.14301753683806 15.999 > 13 15 O 0.35708184761939 0.95926061524258 0.64301753683806 15.999 > 13 16 O 0.85708184761939 0.95926061524258 0.64301753683806 15.999 > 13 17 O 0.35708184761939 0.54073938475742 0.14301753683806 15.999 > 17 18 O 0.85708184761939 0.54073938475742 0.14301753683806 15.999 > 17 19 O 0.35708184761939 0.54073938475742 0.64301753683806 15.999 > 17 20 O 0.85708184761939 0.54073938475742 0.64301753683806 15.999 > 17 21 O 0.39291815238061 0.45926061524258 0.39301753683806 15.999 > 21 22 O 0.89291815238061 0.45926061524258 0.39301753683806 15.999 > 21 23 O 0.39291815238061 0.45926061524258 0.89301753683806 15.999 > 21 24 O 0.89291815238061 0.45926061524258 0.89301753683806 15.999 > 21 25 O 0.10708184761939 0.95926061524258 0.10698246316194 15.999 > 25 26 O 0.60708184761939 0.95926061524258 0.10698246316194 15.999 > 25 27 O 0.10708184761939 0.95926061524258 0.60698246316194 15.999 > 25 28 O 0.60708184761939 0.95926061524258 0.60698246316194 15.999 > 25 29 O 0.14291815238061 0.04073938475742 0.35698246316194 15.999 > 29 30 O 0.64291815238061 0.04073938475742 0.35698246316194 15.999 > 29 31 O 0.14291815238061 0.04073938475742 0.85698246316194 15.999 > 29 32 O 0.64291815238061 0.04073938475742 0.85698246316194 15.999 > 29 33 O 0.48995272403163 0.25000000000000 0.21154265109625 15.999 > 33 34 O 0.98995272403163 0.25000000000000 0.21154265109625 15.999 > 33 35 O 0.48995272403163 0.25000000000000 0.71154265109625 15.999 > 33 36 O 0.98995272403163 0.25000000000000 0.71154265109625 15.999 > 33 37 O 0.26004727596837 0.75000000000000 0.46154265109625 15.999 > 37 38 O 0.76004727596837 0.75000000000000 0.46154265109625 15.999 > 37 39 O 0.26004727596837 0.75000000000000 0.96154265109625 15.999 > 37 40 O 0.76004727596837 0.75000000000000 0.96154265109625 15.999 > 37 41 O 0.23995272403163 0.25000000000000 0.03845734890375 15.999 > 41 42 O 0.73995272403163 0.25000000000000 0.03845734890375 15.999 > 41 43 O 0.23995272403163 0.25000000000000 0.53845734890375 15.999 > 41 44 O 0.73995272403163 0.25000000000000 0.53845734890375 15.999 > 41 45 O 0.01004727596837 0.75000000000000 0.28845734890375 15.999 > 45 46 O 0.51004727596837 0.75000000000000 0.28845734890375 15.999 > 45 47 O 0.01004727596837 0.75000000000000 0.78845734890375 15.999 > 45 48 O 0.51004727596837 0.75000000000000 0.78845734890375 15.999 > 45 49 Sr 0.26630824211154 0.25000000000000 0.25376433558039 87.620 > 49 50 Sr 0.76630824211154 0.25000000000000 0.25376433558039 87.620 > 49 51 Sr 0.26630824211154 0.25000000000000 0.75376433558039 87.620 > 49 52 Sr 0.76630824211154 0.25000000000000 0.75376433558039 87.620 > 49 53 Sr 0.48369175788846 0.75000000000000 0.00376433558039 87.620 > 53 54 Sr 0.98369175788846 0.75000000000000 0.00376433558039 87.620 > 53 55 Sr 0.48369175788846 0.75000000000000 0.50376433558039 87.620 > 53 56 Sr 0.98369175788846 0.75000000000000 0.50376433558039 87.620 > 53 57 Sr 0.01630824211154 0.25000000000000 0.49623566441961 87.620 > 57 58 Sr 0.51630824211154 0.25000000000000 0.49623566441961 87.620 > 57 59 Sr 0.01630824211154 0.25000000000000 0.99623566441961 87.620 > 57 60 Sr 0.51630824211154 0.25000000000000 0.99623566441961 87.620 > 57 61 Sr 0.23369175788846 0.75000000000000 0.24623566441961 87.620 > 61 62 Sr 0.73369175788846 0.75000000000000 0.24623566441961 87.620 > 61 63 Sr 0.23369175788846 0.75000000000000 0.74623566441961 87.620 > 61 64 Sr 0.73369175788846 0.75000000000000 0.74623566441961 87.620 > 61 65 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 65 66 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 65 67 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 65 68 Zr 0.50000000000000 0.00000000000000 0.75000000000000 91.224 > 65 69 Zr 0.25000000000000 0.00000000000000 0.00000000000000 91.224 > 69 70 Zr 0.75000000000000 0.00000000000000 0.00000000000000 91.224 > 69 71 Zr 0.25000000000000 0.00000000000000 0.50000000000000 91.224 > 69 72 Zr 0.75000000000000 0.00000000000000 0.50000000000000 91.224 > 69 73 Zr 0.25000000000000 0.50000000000000 0.00000000000000 91.224 > 73 74 Zr 0.75000000000000 0.50000000000000 0.00000000000000 91.224 > 73 75 Zr 0.25000000000000 0.50000000000000 0.50000000000000 91.224 > 73 76 Zr 0.75000000000000 0.50000000000000 0.50000000000000 91.224 > 73 77 Zr 0.00000000000000 0.50000000000000 0.25000000000000 91.224 > 77 78 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 77 79 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 77 80 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7123058 0.0000000 0.0000000 0.0000000 4.7275833 0.0000000 0.0000000 0.0000000 4.7155910 -------------------------- Born effective charges -------------------------- 1 O -3.3209011 0.0690692 -1.3927892 0.0846827 -1.8645898 -0.0018319 -1.3591328 -0.0047906 -3.2580471 2 O -3.3209011 0.0690692 1.3927892 0.0846827 -1.8645898 0.0018319 1.3591328 0.0047906 -3.2580471 3 O -3.3209011 -0.0690692 1.3927892 -0.0846827 -1.8645898 -0.0018319 1.3591328 -0.0047906 -3.2580471 4 O -3.3209011 -0.0690692 -1.3927892 -0.0846827 -1.8645898 0.0018319 -1.3591328 0.0047906 -3.2580471 5 O -3.3209011 0.0690692 -1.3927892 0.0846827 -1.8645898 -0.0018319 -1.3591328 -0.0047906 -3.2580471 6 O -3.3209011 0.0690692 1.3927892 0.0846827 -1.8645898 0.0018319 1.3591328 0.0047906 -3.2580471 7 O -3.3209011 -0.0690692 1.3927892 -0.0846827 -1.8645898 -0.0018319 1.3591328 -0.0047906 -3.2580471 8 O -3.3209011 -0.0690692 -1.3927892 -0.0846827 -1.8645898 0.0018319 -1.3591328 0.0047906 -3.2580471 9 O -1.7979574 0.0000000 0.0914679 0.0000000 -4.7244366 0.0000000 0.0189687 0.0000000 -2.0138400 10 O -1.7979574 0.0000000 -0.0914679 0.0000000 -4.7244366 0.0000000 -0.0189687 0.0000000 -2.0138400 11 O -1.7979574 0.0000000 -0.0914679 0.0000000 -4.7244366 0.0000000 -0.0189687 0.0000000 -2.0138400 12 O -1.7979574 0.0000000 0.0914679 0.0000000 -4.7244366 0.0000000 0.0189687 0.0000000 -2.0138400 13 Sr 2.4734461 0.0000000 -0.1445762 0.0000000 2.4590931 0.0000000 -0.1275035 0.0000000 2.5524513 14 Sr 2.4734461 0.0000000 0.1445762 0.0000000 2.4590931 0.0000000 0.1275035 0.0000000 2.5524513 15 Sr 2.4734461 0.0000000 0.1445762 0.0000000 2.4590931 0.0000000 0.1275035 0.0000000 2.5524513 16 Sr 2.4734461 0.0000000 -0.1445762 0.0000000 2.4590931 0.0000000 -0.1275035 0.0000000 2.5524513 17 Zr 5.9663136 -0.0799847 -0.2139434 -0.1507971 5.9945232 -0.3464257 0.3297910 0.5185524 5.9774829 18 Zr 5.9663136 -0.0799847 0.2139434 -0.1507971 5.9945232 0.3464257 -0.3297910 -0.5185524 5.9774829 19 Zr 5.9663136 0.0799847 0.2139434 0.1507971 5.9945232 -0.3464257 -0.3297910 0.5185524 5.9774829 20 Zr 5.9663136 0.0799847 -0.2139434 0.1507971 5.9945232 0.3464257 0.3297910 -0.5185524 5.9774829 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xz) -0.00000004 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:08:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.820748110000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.172529469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.766059529999999 Atomic positions (fractional): 1 O 0.28583630476121 0.45926061524258 0.71396492632388 15.999 2 O 0.21416369523879 0.54073938475742 0.21396492632388 15.999 3 O 0.78583630476121 0.04073938475742 0.78603507367612 15.999 4 O 0.71416369523879 0.95926061524258 0.28603507367612 15.999 5 O 0.71416369523879 0.54073938475742 0.28603507367612 15.999 6 O 0.78583630476121 0.45926061524258 0.78603507367612 15.999 7 O 0.21416369523879 0.95926061524258 0.21396492632388 15.999 8 O 0.28583630476121 0.04073938475742 0.71396492632388 15.999 9 O 0.97990544806325 0.25000000000000 0.42308530219251 15.999 10 O 0.52009455193675 0.75000000000000 0.92308530219251 15.999 11 O 0.47990544806326 0.25000000000000 0.07691469780749 15.999 12 O 0.02009455193674 0.75000000000000 0.57691469780749 15.999 13 Sr 0.53261648422309 0.25000000000000 0.50752867116077 87.620 14 Sr 0.96738351577691 0.75000000000000 0.00752867116077 87.620 15 Sr 0.03261648422309 0.25000000000000 0.99247132883923 87.620 16 Sr 0.46738351577691 0.75000000000000 0.49247132883923 87.620 17 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 18 Zr 0.50000000000000 0.00000000000000 0.00000000000000 91.224 19 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 20 Zr 0.00000000000000 0.50000000000000 0.50000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.641496220000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.172529469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.532119059999998 Atomic positions (fractional): 1 O 0.14291815238061 0.45926061524258 0.35698246316194 15.999 > 1 2 O 0.64291815238061 0.45926061524258 0.35698246316194 15.999 > 1 3 O 0.14291815238061 0.45926061524258 0.85698246316194 15.999 > 1 4 O 0.64291815238061 0.45926061524258 0.85698246316194 15.999 > 1 5 O 0.10708184761939 0.54073938475742 0.10698246316194 15.999 > 5 6 O 0.60708184761939 0.54073938475742 0.10698246316194 15.999 > 5 7 O 0.10708184761939 0.54073938475742 0.60698246316194 15.999 > 5 8 O 0.60708184761939 0.54073938475742 0.60698246316194 15.999 > 5 9 O 0.39291815238061 0.04073938475742 0.39301753683806 15.999 > 9 10 O 0.89291815238061 0.04073938475742 0.39301753683806 15.999 > 9 11 O 0.39291815238061 0.04073938475742 0.89301753683806 15.999 > 9 12 O 0.89291815238061 0.04073938475742 0.89301753683806 15.999 > 9 13 O 0.35708184761939 0.95926061524258 0.14301753683806 15.999 > 13 14 O 0.85708184761939 0.95926061524258 0.14301753683806 15.999 > 13 15 O 0.35708184761939 0.95926061524258 0.64301753683806 15.999 > 13 16 O 0.85708184761939 0.95926061524258 0.64301753683806 15.999 > 13 17 O 0.35708184761939 0.54073938475742 0.14301753683806 15.999 > 17 18 O 0.85708184761939 0.54073938475742 0.14301753683806 15.999 > 17 19 O 0.35708184761939 0.54073938475742 0.64301753683806 15.999 > 17 20 O 0.85708184761939 0.54073938475742 0.64301753683806 15.999 > 17 21 O 0.39291815238061 0.45926061524258 0.39301753683806 15.999 > 21 22 O 0.89291815238061 0.45926061524258 0.39301753683806 15.999 > 21 23 O 0.39291815238061 0.45926061524258 0.89301753683806 15.999 > 21 24 O 0.89291815238061 0.45926061524258 0.89301753683806 15.999 > 21 25 O 0.10708184761939 0.95926061524258 0.10698246316194 15.999 > 25 26 O 0.60708184761939 0.95926061524258 0.10698246316194 15.999 > 25 27 O 0.10708184761939 0.95926061524258 0.60698246316194 15.999 > 25 28 O 0.60708184761939 0.95926061524258 0.60698246316194 15.999 > 25 29 O 0.14291815238061 0.04073938475742 0.35698246316194 15.999 > 29 30 O 0.64291815238061 0.04073938475742 0.35698246316194 15.999 > 29 31 O 0.14291815238061 0.04073938475742 0.85698246316194 15.999 > 29 32 O 0.64291815238061 0.04073938475742 0.85698246316194 15.999 > 29 33 O 0.48995272403163 0.25000000000000 0.21154265109625 15.999 > 33 34 O 0.98995272403163 0.25000000000000 0.21154265109625 15.999 > 33 35 O 0.48995272403163 0.25000000000000 0.71154265109625 15.999 > 33 36 O 0.98995272403163 0.25000000000000 0.71154265109625 15.999 > 33 37 O 0.26004727596837 0.75000000000000 0.46154265109625 15.999 > 37 38 O 0.76004727596837 0.75000000000000 0.46154265109625 15.999 > 37 39 O 0.26004727596837 0.75000000000000 0.96154265109625 15.999 > 37 40 O 0.76004727596837 0.75000000000000 0.96154265109625 15.999 > 37 41 O 0.23995272403163 0.25000000000000 0.03845734890375 15.999 > 41 42 O 0.73995272403163 0.25000000000000 0.03845734890375 15.999 > 41 43 O 0.23995272403163 0.25000000000000 0.53845734890375 15.999 > 41 44 O 0.73995272403163 0.25000000000000 0.53845734890375 15.999 > 41 45 O 0.01004727596837 0.75000000000000 0.28845734890375 15.999 > 45 46 O 0.51004727596837 0.75000000000000 0.28845734890375 15.999 > 45 47 O 0.01004727596837 0.75000000000000 0.78845734890375 15.999 > 45 48 O 0.51004727596837 0.75000000000000 0.78845734890375 15.999 > 45 49 Sr 0.26630824211154 0.25000000000000 0.25376433558039 87.620 > 49 50 Sr 0.76630824211154 0.25000000000000 0.25376433558039 87.620 > 49 51 Sr 0.26630824211154 0.25000000000000 0.75376433558039 87.620 > 49 52 Sr 0.76630824211154 0.25000000000000 0.75376433558039 87.620 > 49 53 Sr 0.48369175788846 0.75000000000000 0.00376433558039 87.620 > 53 54 Sr 0.98369175788846 0.75000000000000 0.00376433558039 87.620 > 53 55 Sr 0.48369175788846 0.75000000000000 0.50376433558039 87.620 > 53 56 Sr 0.98369175788846 0.75000000000000 0.50376433558039 87.620 > 53 57 Sr 0.01630824211154 0.25000000000000 0.49623566441961 87.620 > 57 58 Sr 0.51630824211154 0.25000000000000 0.49623566441961 87.620 > 57 59 Sr 0.01630824211154 0.25000000000000 0.99623566441961 87.620 > 57 60 Sr 0.51630824211154 0.25000000000000 0.99623566441961 87.620 > 57 61 Sr 0.23369175788846 0.75000000000000 0.24623566441961 87.620 > 61 62 Sr 0.73369175788846 0.75000000000000 0.24623566441961 87.620 > 61 63 Sr 0.23369175788846 0.75000000000000 0.74623566441961 87.620 > 61 64 Sr 0.73369175788846 0.75000000000000 0.74623566441961 87.620 > 61 65 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 65 66 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 65 67 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 65 68 Zr 0.50000000000000 0.00000000000000 0.75000000000000 91.224 > 65 69 Zr 0.25000000000000 0.00000000000000 0.00000000000000 91.224 > 69 70 Zr 0.75000000000000 0.00000000000000 0.00000000000000 91.224 > 69 71 Zr 0.25000000000000 0.00000000000000 0.50000000000000 91.224 > 69 72 Zr 0.75000000000000 0.00000000000000 0.50000000000000 91.224 > 69 73 Zr 0.25000000000000 0.50000000000000 0.00000000000000 91.224 > 73 74 Zr 0.75000000000000 0.50000000000000 0.00000000000000 91.224 > 73 75 Zr 0.25000000000000 0.50000000000000 0.50000000000000 91.224 > 73 76 Zr 0.75000000000000 0.50000000000000 0.50000000000000 91.224 > 73 77 Zr 0.00000000000000 0.50000000000000 0.25000000000000 91.224 > 77 78 Zr 0.50000000000000 0.50000000000000 0.25000000000000 91.224 > 77 79 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 77 80 Zr 0.50000000000000 0.50000000000000 0.75000000000000 91.224 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7123058 0.0000000 0.0000000 0.0000000 4.7275833 0.0000000 0.0000000 0.0000000 4.7155910 -------------------------- Born effective charges -------------------------- 1 O -3.3209011 0.0690692 -1.3927892 0.0846827 -1.8645898 -0.0018319 -1.3591328 -0.0047906 -3.2580471 2 O -3.3209011 0.0690692 1.3927892 0.0846827 -1.8645898 0.0018319 1.3591328 0.0047906 -3.2580471 3 O -3.3209011 -0.0690692 1.3927892 -0.0846827 -1.8645898 -0.0018319 1.3591328 -0.0047906 -3.2580471 4 O -3.3209011 -0.0690692 -1.3927892 -0.0846827 -1.8645898 0.0018319 -1.3591328 0.0047906 -3.2580471 5 O -3.3209011 0.0690692 -1.3927892 0.0846827 -1.8645898 -0.0018319 -1.3591328 -0.0047906 -3.2580471 6 O -3.3209011 0.0690692 1.3927892 0.0846827 -1.8645898 0.0018319 1.3591328 0.0047906 -3.2580471 7 O -3.3209011 -0.0690692 1.3927892 -0.0846827 -1.8645898 -0.0018319 1.3591328 -0.0047906 -3.2580471 8 O -3.3209011 -0.0690692 -1.3927892 -0.0846827 -1.8645898 0.0018319 -1.3591328 0.0047906 -3.2580471 9 O -1.7979574 0.0000000 0.0914679 0.0000000 -4.7244366 0.0000000 0.0189687 0.0000000 -2.0138400 10 O -1.7979574 0.0000000 -0.0914679 0.0000000 -4.7244366 0.0000000 -0.0189687 0.0000000 -2.0138400 11 O -1.7979574 0.0000000 -0.0914679 0.0000000 -4.7244366 0.0000000 -0.0189687 0.0000000 -2.0138400 12 O -1.7979574 0.0000000 0.0914679 0.0000000 -4.7244366 0.0000000 0.0189687 0.0000000 -2.0138400 13 Sr 2.4734461 0.0000000 -0.1445762 0.0000000 2.4590931 0.0000000 -0.1275035 0.0000000 2.5524513 14 Sr 2.4734461 0.0000000 0.1445762 0.0000000 2.4590931 0.0000000 0.1275035 0.0000000 2.5524513 15 Sr 2.4734461 0.0000000 0.1445762 0.0000000 2.4590931 0.0000000 0.1275035 0.0000000 2.5524513 16 Sr 2.4734461 0.0000000 -0.1445762 0.0000000 2.4590931 0.0000000 -0.1275035 0.0000000 2.5524513 17 Zr 5.9663136 -0.0799847 -0.2139434 -0.1507971 5.9945232 -0.3464257 0.3297910 0.5185524 5.9774829 18 Zr 5.9663136 -0.0799847 0.2139434 -0.1507971 5.9945232 0.3464257 -0.3297910 -0.5185524 5.9774829 19 Zr 5.9663136 0.0799847 0.2139434 0.1507971 5.9945232 -0.3464257 -0.3297910 0.5185524 5.9774829 20 Zr 5.9663136 0.0799847 -0.2139434 0.1507971 5.9945232 0.3464257 0.3297910 -0.5185524 5.9774829 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xxx) 0.00000003 (xxx) 0.00000003 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 319, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 10.695 ( 0.000 0.000 0.000) 0.000 11.256 ( 0.000 0.000 0.000) 0.000 11.310 ( 0.000 0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 11.965 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 14.004 ( 0.000 0.000 0.000) 0.000 14.229 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.682 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000 15.109 ( 0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.443 ( 0.000 0.000 0.000) 0.000 21.325 ( 0.000 0.000 0.000) 0.000 22.510 ( 0.000 0.000 0.000) 0.000 23.296 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 39.027 0.000 0.000) 39.027 0.787 ( 39.424 0.000 0.000) 39.424 1.296 ( 64.549 0.000 0.000) 64.549 2.802 ( -4.717 0.000 0.000) 4.717 2.894 ( 6.252 0.000 0.000) 6.252 2.954 ( 2.606 0.000 0.000) 2.606 3.193 ( -0.337 0.000 0.000) 0.337 3.274 ( -0.888 0.000 0.000) 0.888 3.497 ( -2.528 0.000 0.000) 2.528 3.550 ( -4.051 0.000 0.000) 4.051 3.676 ( -4.780 0.000 0.000) 4.780 3.713 ( -8.329 0.000 0.000) 8.329 3.899 ( 5.406 0.000 0.000) 5.406 4.051 ( -8.136 0.000 0.000) 8.136 4.298 ( 3.980 0.000 0.000) 3.980 4.477 ( 7.028 0.000 0.000) 7.028 4.497 ( 5.911 0.000 0.000) 5.911 4.634 ( -5.970 0.000 0.000) 5.970 4.647 ( 11.875 0.000 0.000) 11.875 4.895 ( 22.971 0.000 0.000) 22.971 5.287 ( 0.979 0.000 0.000) 0.979 5.887 ( 2.749 0.000 0.000) 2.749 5.923 ( 7.113 0.000 0.000) 7.113 6.014 ( 2.206 0.000 0.000) 2.206 6.207 ( 6.349 0.000 0.000) 6.349 6.259 ( 15.266 0.000 0.000) 15.266 6.829 ( 5.856 0.000 0.000) 5.856 7.219 ( 4.291 0.000 0.000) 4.291 7.321 ( 27.213 0.000 0.000) 27.213 7.566 ( -0.931 0.000 0.000) 0.931 7.572 ( -6.944 0.000 0.000) 6.944 7.999 ( 3.275 0.000 0.000) 3.275 8.381 ( -7.577 0.000 0.000) 7.577 8.463 ( 0.867 0.000 0.000) 0.867 9.180 ( -16.944 0.000 0.000) 16.944 9.317 ( -8.190 0.000 0.000) 8.190 9.434 ( -6.886 0.000 0.000) 6.886 9.645 ( -1.347 0.000 0.000) 1.347 9.652 ( 1.188 0.000 0.000) 1.188 9.907 ( 15.630 0.000 0.000) 15.630 10.555 ( -13.149 0.000 0.000) 13.149 11.169 ( -8.736 0.000 0.000) 8.736 11.354 ( 11.082 0.000 0.000) 11.082 11.411 ( 9.864 0.000 0.000) 9.864 11.684 ( -5.175 0.000 0.000) 5.175 11.927 ( -3.959 0.000 0.000) 3.959 12.829 ( 2.021 0.000 0.000) 2.021 13.492 ( -5.699 0.000 0.000) 5.699 14.044 ( 4.047 0.000 0.000) 4.047 14.368 ( 13.933 0.000 0.000) 13.933 14.720 ( 4.021 0.000 0.000) 4.021 14.818 ( -1.202 0.000 0.000) 1.202 15.146 ( 3.889 0.000 0.000) 3.889 16.178 ( -3.370 0.000 0.000) 3.370 16.259 ( 0.168 0.000 0.000) 0.168 16.414 ( -3.123 0.000 0.000) 3.123 20.993 ( 4.787 0.000 0.000) 4.787 21.387 ( 6.610 0.000 0.000) 6.610 22.464 ( -4.788 0.000 0.000) 4.788 23.278 ( -2.091 0.000 0.000) 2.091 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 35.123 0.000 0.000) 35.123 1.478 ( 32.583 0.000 0.000) 32.583 2.337 ( 38.031 0.000 0.000) 38.031 2.710 ( -3.539 0.000 0.000) 3.539 3.003 ( 2.489 0.000 0.000) 2.489 3.018 ( 5.282 0.000 0.000) 5.282 3.130 ( -19.192 0.000 0.000) 19.192 3.233 ( 9.080 0.000 0.000) 9.080 3.301 ( 3.502 0.000 0.000) 3.502 3.435 ( -8.030 0.000 0.000) 8.030 3.498 ( -13.324 0.000 0.000) 13.324 3.893 ( -7.336 0.000 0.000) 7.336 3.955 ( 15.280 0.000 0.000) 15.280 3.972 ( 1.327 0.000 0.000) 1.327 4.477 ( 14.921 0.000 0.000) 14.921 4.482 ( -8.401 0.000 0.000) 8.401 4.629 ( 9.916 0.000 0.000) 9.916 4.687 ( 13.146 0.000 0.000) 13.146 4.912 ( 15.311 0.000 0.000) 15.311 5.327 ( 3.292 0.000 0.000) 3.292 5.386 ( 27.462 0.000 0.000) 27.462 5.908 ( -1.635 0.000 0.000) 1.635 5.988 ( -4.476 0.000 0.000) 4.476 6.113 ( 12.354 0.000 0.000) 12.354 6.384 ( 12.348 0.000 0.000) 12.348 6.645 ( 20.841 0.000 0.000) 20.841 7.022 ( 14.810 0.000 0.000) 14.810 7.298 ( 2.347 0.000 0.000) 2.347 7.433 ( -7.398 0.000 0.000) 7.398 7.586 ( 5.012 0.000 0.000) 5.012 7.914 ( 29.031 0.000 0.000) 29.031 8.048 ( 2.294 0.000 0.000) 2.294 8.204 ( -9.493 0.000 0.000) 9.493 8.508 ( 3.689 0.000 0.000) 3.689 8.857 ( -16.683 0.000 0.000) 16.683 9.117 ( -11.176 0.000 0.000) 11.176 9.249 ( -12.059 0.000 0.000) 12.059 9.640 ( 2.518 0.000 0.000) 2.518 9.666 ( -0.655 0.000 0.000) 0.655 10.036 ( -11.691 0.000 0.000) 11.691 10.397 ( 7.690 0.000 0.000) 7.690 10.926 ( -16.289 0.000 0.000) 16.289 11.531 ( -10.974 0.000 0.000) 10.974 11.612 ( 12.472 0.000 0.000) 12.472 11.656 ( 15.099 0.000 0.000) 15.099 11.833 ( -3.561 0.000 0.000) 3.561 12.864 ( 1.121 0.000 0.000) 1.121 13.339 ( -10.028 0.000 0.000) 10.028 14.148 ( 6.488 0.000 0.000) 6.488 14.664 ( 8.354 0.000 0.000) 8.354 14.842 ( 8.857 0.000 0.000) 8.857 14.849 ( 11.901 0.000 0.000) 11.901 15.257 ( 7.828 0.000 0.000) 7.828 16.077 ( -7.246 0.000 0.000) 7.246 16.250 ( -1.593 0.000 0.000) 1.593 16.320 ( -6.719 0.000 0.000) 6.719 21.127 ( 9.126 0.000 0.000) 9.126 21.582 ( 13.904 0.000 0.000) 13.904 22.331 ( -9.073 0.000 0.000) 9.073 23.204 ( -6.139 0.000 0.000) 6.139 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 25.293 0.000 0.000) 25.293 2.088 ( 28.770 0.000 0.000) 28.770 2.665 ( 5.317 0.000 0.000) 5.317 2.708 ( 3.700 0.000 0.000) 3.700 2.866 ( -7.822 0.000 0.000) 7.822 2.971 ( -5.867 0.000 0.000) 5.867 3.029 ( -5.780 0.000 0.000) 5.780 3.250 ( -10.722 0.000 0.000) 10.722 3.251 ( -11.231 0.000 0.000) 11.231 3.340 ( -1.766 0.000 0.000) 1.766 3.596 ( 15.592 0.000 0.000) 15.592 3.789 ( -3.653 0.000 0.000) 3.653 3.984 ( 1.195 0.000 0.000) 1.195 4.128 ( 3.134 0.000 0.000) 3.134 4.473 ( 14.124 0.000 0.000) 14.124 4.797 ( 16.145 0.000 0.000) 16.145 4.850 ( 12.000 0.000 0.000) 12.000 4.967 ( 15.402 0.000 0.000) 15.402 5.203 ( 14.224 0.000 0.000) 14.224 5.405 ( 4.346 0.000 0.000) 4.346 5.812 ( -8.124 0.000 0.000) 8.124 5.837 ( -11.580 0.000 0.000) 11.580 5.908 ( 26.335 0.000 0.000) 26.335 6.377 ( 14.558 0.000 0.000) 14.558 6.667 ( 16.141 0.000 0.000) 16.141 6.925 ( 7.873 0.000 0.000) 7.873 7.241 ( -9.156 0.000 0.000) 9.156 7.277 ( -6.222 0.000 0.000) 6.222 7.400 ( 21.259 0.000 0.000) 21.259 7.829 ( 19.990 0.000 0.000) 19.990 8.081 ( -2.736 0.000 0.000) 2.736 8.122 ( 6.507 0.000 0.000) 6.507 8.205 ( -0.428 0.000 0.000) 0.428 8.544 ( -16.212 0.000 0.000) 16.212 8.577 ( 2.628 0.000 0.000) 2.628 8.958 ( -5.339 0.000 0.000) 5.339 9.003 ( -12.503 0.000 0.000) 12.503 9.444 ( -25.708 0.000 0.000) 25.708 9.837 ( -0.170 0.000 0.000) 0.170 9.840 ( 20.132 0.000 0.000) 20.132 10.569 ( -20.335 0.000 0.000) 20.335 10.685 ( 17.540 0.000 0.000) 17.540 11.259 ( -17.689 0.000 0.000) 17.689 11.576 ( -10.886 0.000 0.000) 10.886 11.960 ( 15.920 0.000 0.000) 15.920 12.005 ( 15.200 0.000 0.000) 15.200 12.860 ( -1.608 0.000 0.000) 1.608 13.123 ( -12.157 0.000 0.000) 12.157 14.280 ( 7.183 0.000 0.000) 7.183 14.645 ( -4.500 0.000 0.000) 4.500 15.057 ( 13.436 0.000 0.000) 13.436 15.262 ( 24.137 0.000 0.000) 24.137 15.442 ( 11.296 0.000 0.000) 11.296 15.900 ( -11.208 0.000 0.000) 11.208 16.157 ( -10.356 0.000 0.000) 10.356 16.182 ( -5.929 0.000 0.000) 5.929 21.335 ( 12.465 0.000 0.000) 12.465 21.912 ( 20.209 0.000 0.000) 20.209 22.124 ( -12.364 0.000 0.000) 12.364 23.029 ( -12.426 0.000 0.000) 12.426 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 19.960 0.000 0.000) 19.960 2.550 ( 18.910 0.000 0.000) 18.910 2.734 ( -1.803 0.000 0.000) 1.803 2.817 ( 4.668 0.000 0.000) 4.668 2.819 ( -5.537 0.000 0.000) 5.537 2.831 ( -12.574 0.000 0.000) 12.574 2.847 ( 6.057 0.000 0.000) 6.057 3.046 ( -11.716 0.000 0.000) 11.716 3.078 ( -4.126 0.000 0.000) 4.126 3.193 ( -11.566 0.000 0.000) 11.566 3.709 ( 1.781 0.000 0.000) 1.781 3.740 ( -1.813 0.000 0.000) 1.813 4.038 ( 4.169 0.000 0.000) 4.169 4.116 ( -3.255 0.000 0.000) 3.255 4.957 ( 28.367 0.000 0.000) 28.367 5.022 ( 6.367 0.000 0.000) 6.367 5.028 ( 5.358 0.000 0.000) 5.358 5.230 ( 8.628 0.000 0.000) 8.628 5.408 ( 4.867 0.000 0.000) 4.867 5.457 ( -0.373 0.000 0.000) 0.373 5.567 ( -12.225 0.000 0.000) 12.225 5.624 ( -10.238 0.000 0.000) 10.238 6.367 ( 20.909 0.000 0.000) 20.909 6.589 ( 2.617 0.000 0.000) 2.617 6.917 ( 7.553 0.000 0.000) 7.553 7.018 ( -9.570 0.000 0.000) 9.570 7.023 ( 4.523 0.000 0.000) 4.523 7.134 ( -7.140 0.000 0.000) 7.140 7.849 ( 22.803 0.000 0.000) 22.803 8.056 ( -1.116 0.000 0.000) 1.116 8.084 ( -6.026 0.000 0.000) 6.026 8.209 ( 0.991 0.000 0.000) 0.991 8.245 ( -0.713 0.000 0.000) 0.713 8.311 ( 11.076 0.000 0.000) 11.076 8.588 ( 0.643 0.000 0.000) 0.643 8.835 ( -3.621 0.000 0.000) 3.621 8.861 ( -4.733 0.000 0.000) 4.733 8.895 ( -27.918 0.000 0.000) 27.918 9.932 ( 9.263 0.000 0.000) 9.263 10.193 ( -17.727 0.000 0.000) 17.727 10.337 ( 28.653 0.000 0.000) 28.653 10.855 ( -24.569 0.000 0.000) 24.569 11.019 ( 17.034 0.000 0.000) 17.034 11.325 ( -14.869 0.000 0.000) 14.869 12.220 ( 9.432 0.000 0.000) 9.432 12.240 ( 7.442 0.000 0.000) 7.442 12.823 ( -0.718 0.000 0.000) 0.718 12.904 ( -9.392 0.000 0.000) 9.392 14.416 ( 6.936 0.000 0.000) 6.936 14.542 ( -6.133 0.000 0.000) 6.133 15.338 ( 15.536 0.000 0.000) 15.536 15.603 ( -5.028 0.000 0.000) 5.028 15.679 ( 13.245 0.000 0.000) 13.245 15.734 ( 9.926 0.000 0.000) 9.926 15.932 ( -12.877 0.000 0.000) 12.877 16.010 ( -12.264 0.000 0.000) 12.264 21.593 ( 14.258 0.000 0.000) 14.258 21.868 ( -14.205 0.000 0.000) 14.205 22.327 ( 22.278 0.000 0.000) 22.278 22.727 ( -18.933 0.000 0.000) 18.933 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 37.440 0.000) 37.440 0.807 ( 0.000 37.898 0.000) 37.898 1.516 ( 0.000 71.339 0.000) 71.339 2.773 ( 0.000 -5.836 0.000) 5.836 2.822 ( 0.000 -9.451 0.000) 9.451 2.922 ( 0.000 6.657 0.000) 6.657 3.083 ( 0.000 -1.680 0.000) 1.680 3.145 ( 0.000 -10.736 0.000) 10.736 3.430 ( 0.000 -9.562 0.000) 9.562 3.732 ( 0.000 5.916 0.000) 5.916 3.789 ( 0.000 -4.846 0.000) 4.846 3.834 ( 0.000 -2.108 0.000) 2.108 4.119 ( 0.000 -6.911 0.000) 6.911 4.180 ( 0.000 4.505 0.000) 4.505 4.461 ( 0.000 11.691 0.000) 11.691 4.479 ( 0.000 -0.618 0.000) 0.618 4.491 ( 0.000 6.301 0.000) 6.301 4.574 ( 0.000 15.350 0.000) 15.350 4.587 ( 0.000 -2.722 0.000) 2.722 4.709 ( 0.000 33.033 0.000) 33.033 5.232 ( 0.000 -4.406 0.000) 4.406 5.637 ( 0.000 -6.171 0.000) 6.171 5.926 ( 0.000 7.056 0.000) 7.056 5.940 ( 0.000 -1.682 0.000) 1.682 6.056 ( 0.000 -7.359 0.000) 7.359 6.134 ( 0.000 10.374 0.000) 10.374 6.913 ( 0.000 -0.606 0.000) 0.606 7.269 ( 0.000 -9.152 0.000) 9.152 7.276 ( 0.000 9.784 0.000) 9.784 7.554 ( 0.000 -2.802 0.000) 2.802 7.576 ( 0.000 -7.992 0.000) 7.992 8.031 ( 0.000 1.434 0.000) 1.434 8.377 ( 0.000 -6.810 0.000) 6.810 8.383 ( 0.000 -6.798 0.000) 6.798 8.876 ( 0.000 8.067 0.000) 8.067 9.365 ( 0.000 -9.204 0.000) 9.204 9.404 ( 0.000 -9.394 0.000) 9.394 9.409 ( 0.000 0.476 0.000) 0.476 9.595 ( 0.000 -0.753 0.000) 0.753 9.615 ( 0.000 -4.780 0.000) 4.780 10.739 ( 0.000 4.350 0.000) 4.350 11.277 ( 0.000 -3.246 0.000) 3.246 11.293 ( 0.000 3.630 0.000) 3.630 11.813 ( 0.000 7.588 0.000) 7.588 11.820 ( 0.000 -2.074 0.000) 2.074 12.019 ( 0.000 7.328 0.000) 7.328 12.736 ( 0.000 -6.704 0.000) 6.704 13.402 ( 0.000 -11.014 0.000) 11.014 14.219 ( 0.000 19.999 0.000) 19.999 14.277 ( 0.000 2.862 0.000) 2.862 14.595 ( 0.000 -1.990 0.000) 1.990 14.720 ( 0.000 3.636 0.000) 3.636 15.084 ( 0.000 -2.354 0.000) 2.354 16.166 ( 0.000 -8.938 0.000) 8.938 16.225 ( 0.000 1.536 0.000) 1.536 16.428 ( 0.000 -1.468 0.000) 1.468 21.078 ( 0.000 1.479 0.000) 1.479 21.305 ( 0.000 -1.916 0.000) 1.916 22.530 ( 0.000 2.109 0.000) 2.109 23.209 ( 0.000 -8.090 0.000) 8.090 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 25.622 24.518 0.000) 35.463 1.157 ( 24.952 27.319 0.000) 36.999 1.944 ( 41.148 52.507 0.000) 66.709 2.795 ( -1.207 -3.789 0.000) 3.977 2.844 ( 1.628 -8.544 0.000) 8.698 2.882 ( -0.451 2.162 0.000) 2.209 3.108 ( -1.594 -9.927 0.000) 10.054 3.136 ( 2.837 -4.295 0.000) 5.147 3.404 ( -3.490 -9.168 0.000) 9.810 3.600 ( -8.474 6.485 0.000) 10.671 3.699 ( -8.206 -3.252 0.000) 8.827 3.826 ( -2.477 -7.909 0.000) 8.288 4.032 ( -12.194 21.714 0.000) 24.903 4.189 ( 3.507 10.174 0.000) 10.761 4.252 ( 1.691 -13.916 0.000) 14.018 4.529 ( 3.512 5.139 0.000) 6.224 4.626 ( 3.329 2.370 0.000) 4.087 4.662 ( 8.408 19.133 0.000) 20.899 4.761 ( 6.880 22.672 0.000) 23.693 4.853 ( 22.674 -4.125 0.000) 23.046 5.245 ( 2.098 -3.665 0.000) 4.223 5.782 ( 6.847 -8.972 0.000) 11.286 5.949 ( 5.072 1.205 0.000) 5.213 5.979 ( 0.665 -3.164 0.000) 3.234 6.201 ( 6.652 6.753 0.000) 9.479 6.227 ( 16.749 -1.723 0.000) 16.837 7.131 ( 10.931 9.118 0.000) 14.235 7.304 ( 2.060 6.814 0.000) 7.119 7.330 ( 19.616 -0.472 0.000) 19.622 7.518 ( -4.849 -4.923 0.000) 6.910 7.572 ( 2.626 1.245 0.000) 2.906 8.049 ( 1.947 4.122 0.000) 4.558 8.314 ( -6.829 -6.114 0.000) 9.167 8.384 ( 0.487 -6.723 0.000) 6.740 9.110 ( 7.409 -11.977 0.000) 14.083 9.149 ( -14.856 -3.641 0.000) 15.296 9.397 ( -5.299 -6.003 0.000) 8.007 9.440 ( 4.469 -3.443 0.000) 5.642 9.534 ( -0.512 -7.969 0.000) 7.985 9.851 ( 15.445 -5.448 0.000) 16.378 10.606 ( -12.936 5.147 0.000) 13.923 11.212 ( -8.412 3.975 0.000) 9.303 11.324 ( 3.850 -6.900 0.000) 7.901 11.757 ( -2.448 15.665 0.000) 15.855 11.803 ( -0.556 9.845 0.000) 9.861 11.883 ( -7.503 1.199 0.000) 7.598 12.760 ( 2.167 -6.571 0.000) 6.920 13.364 ( -4.691 -11.512 0.000) 12.431 14.254 ( 3.507 19.546 0.000) 19.858 14.407 ( 13.529 3.200 0.000) 13.902 14.749 ( 7.964 -4.212 0.000) 9.009 14.757 ( 3.973 3.578 0.000) 5.346 15.122 ( 3.946 -2.300 0.000) 4.567 16.170 ( 0.180 -8.930 0.000) 8.932 16.193 ( -3.379 1.527 0.000) 3.708 16.400 ( -3.042 -1.412 0.000) 3.354 21.016 ( -0.843 2.262 0.000) 2.414 21.362 ( 5.827 -2.650 0.000) 6.401 22.486 ( -4.607 2.294 0.000) 5.147 23.190 ( -2.230 -8.234 0.000) 8.531 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 26.711 11.833 0.000) 29.215 1.628 ( 24.217 14.314 0.000) 28.131 2.667 ( 14.565 17.573 0.000) 22.825 2.694 ( -5.480 -1.044 0.000) 5.578 2.952 ( 4.359 -5.634 0.000) 7.123 2.964 ( 19.147 5.616 0.000) 19.953 3.039 ( -6.142 -4.372 0.000) 7.540 3.207 ( 6.955 -4.485 0.000) 8.276 3.266 ( -10.760 -9.665 0.000) 14.464 3.402 ( -5.082 6.712 0.000) 8.419 3.507 ( -11.368 -1.447 0.000) 11.460 3.743 ( -5.179 -9.462 0.000) 10.787 4.019 ( -0.972 0.959 0.000) 1.365 4.288 ( 9.609 -1.910 0.000) 9.797 4.337 ( 9.042 18.982 0.000) 21.026 4.594 ( 5.651 9.600 0.000) 11.139 4.713 ( 6.245 2.663 0.000) 6.789 4.869 ( 12.692 19.211 0.000) 23.025 4.980 ( 14.521 9.211 0.000) 17.196 5.229 ( 8.938 -6.224 0.000) 10.892 5.448 ( 25.446 0.265 0.000) 25.448 5.836 ( -0.536 -7.000 0.000) 7.020 5.951 ( -3.024 -3.165 0.000) 4.378 6.128 ( 12.339 1.457 0.000) 12.425 6.366 ( 10.587 3.052 0.000) 11.018 6.594 ( 19.167 -3.802 0.000) 19.541 7.315 ( -1.286 0.246 0.000) 1.309 7.331 ( 11.716 14.775 0.000) 18.857 7.389 ( -4.737 1.132 0.000) 4.871 7.678 ( 7.942 8.845 0.000) 11.887 7.905 ( 28.173 -1.200 0.000) 28.199 8.078 ( 1.236 3.361 0.000) 3.581 8.157 ( -8.112 -4.387 0.000) 9.222 8.418 ( 3.553 -6.614 0.000) 7.508 8.852 ( -15.996 -0.866 0.000) 16.019 9.084 ( -5.350 -3.135 0.000) 6.201 9.223 ( -11.899 -2.870 0.000) 12.240 9.540 ( 5.970 -7.529 0.000) 9.609 9.551 ( 1.492 -9.589 0.000) 9.704 10.095 ( 0.984 2.211 0.000) 2.420 10.348 ( -4.007 -1.599 0.000) 4.314 10.977 ( -15.933 4.902 0.000) 16.670 11.347 ( -3.693 -12.002 0.000) 12.557 11.727 ( -9.059 -1.770 0.000) 9.231 11.841 ( 9.615 11.114 0.000) 14.696 11.841 ( 6.042 11.992 0.000) 13.429 12.799 ( 1.399 -6.193 0.000) 6.349 13.229 ( -9.098 -10.347 0.000) 13.778 14.343 ( 5.599 18.323 0.000) 19.159 14.719 ( 12.219 4.235 0.000) 12.932 14.865 ( 10.691 1.254 0.000) 10.765 14.878 ( 8.726 3.390 0.000) 9.361 15.235 ( 7.914 -2.167 0.000) 8.205 16.094 ( -7.098 1.615 0.000) 7.280 16.162 ( -1.387 -8.731 0.000) 8.841 16.307 ( -6.775 -1.340 0.000) 6.906 21.096 ( 8.519 -1.393 0.000) 8.633 21.536 ( 12.663 -4.513 0.000) 13.443 22.356 ( -8.917 2.656 0.000) 9.304 23.112 ( -6.291 -8.539 0.000) 10.607 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 20.894 2.287 0.000) 21.018 2.063 ( 20.961 2.754 0.000) 21.141 2.658 ( 2.374 -4.214 0.000) 4.837 2.725 ( 0.872 -0.688 0.000) 1.110 2.849 ( -7.969 -1.802 0.000) 8.170 2.939 ( -9.330 -7.017 0.000) 11.674 3.097 ( -3.064 11.733 0.000) 12.126 3.099 ( -2.356 -9.624 0.000) 9.908 3.271 ( -13.004 0.316 0.000) 13.008 3.363 ( 0.758 0.933 0.000) 1.202 3.429 ( -4.146 -15.816 0.000) 16.351 3.646 ( -5.048 -7.242 0.000) 8.827 4.205 ( 22.751 14.405 0.000) 26.928 4.425 ( 1.419 26.663 0.000) 26.701 4.554 ( 17.548 6.966 0.000) 18.880 4.805 ( 13.486 1.339 0.000) 13.552 4.862 ( 9.239 -0.048 0.000) 9.239 5.115 ( 12.572 14.103 0.000) 18.893 5.263 ( 13.920 6.443 0.000) 15.339 5.361 ( 6.653 -2.978 0.000) 7.289 5.773 ( -5.467 -3.599 0.000) 6.545 5.844 ( -8.661 1.844 0.000) 8.855 5.994 ( 27.718 4.304 0.000) 28.050 6.404 ( 15.867 2.390 0.000) 16.046 6.614 ( 15.353 -1.770 0.000) 15.455 6.878 ( 9.750 -3.799 0.000) 10.464 7.239 ( -7.837 -0.928 0.000) 7.892 7.252 ( -6.942 -3.166 0.000) 7.630 7.623 ( 14.417 17.605 0.000) 22.755 7.814 ( 5.266 -0.831 0.000) 5.331 8.077 ( -1.332 -1.155 0.000) 1.763 8.090 ( 2.024 0.002 0.000) 2.024 8.214 ( 4.768 -4.445 0.000) 6.518 8.530 ( 6.888 1.372 0.000) 7.024 8.545 ( -16.062 -0.062 0.000) 16.062 8.991 ( -10.542 -0.473 0.000) 10.552 9.012 ( -1.934 2.590 0.000) 3.232 9.519 ( -9.935 2.474 0.000) 10.239 9.774 ( 20.844 -6.559 0.000) 21.852 9.856 ( -9.114 6.290 0.000) 11.074 10.581 ( 17.584 -9.958 0.000) 20.208 10.622 ( -20.576 5.505 0.000) 21.300 11.161 ( -15.174 -9.490 0.000) 17.897 11.517 ( -12.743 -6.051 0.000) 14.106 12.026 ( 11.932 6.389 0.000) 13.535 12.069 ( 12.602 6.463 0.000) 14.162 12.801 ( -1.228 -5.556 0.000) 5.690 13.032 ( -11.027 -8.494 0.000) 13.919 14.457 ( 6.145 16.598 0.000) 17.699 14.751 ( -2.722 9.184 0.000) 9.579 15.089 ( 13.211 3.066 0.000) 13.562 15.253 ( 22.782 -0.944 0.000) 22.802 15.421 ( 11.393 -1.998 0.000) 11.567 15.920 ( -11.079 1.857 0.000) 11.234 16.102 ( -5.309 -7.965 0.000) 9.572 16.142 ( -10.441 -1.434 0.000) 10.539 21.312 ( 13.486 -1.334 0.000) 13.552 21.844 ( 19.226 -6.464 0.000) 20.284 22.150 ( -12.537 2.715 0.000) 12.828 22.936 ( -12.430 -8.721 0.000) 15.184 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 12.626 -7.622 0.000) 14.748 2.404 ( 13.154 -5.415 0.000) 14.225 2.706 ( -2.949 -4.550 0.000) 5.422 2.723 ( -7.029 -5.207 0.000) 8.747 2.780 ( 6.312 -4.843 0.000) 7.956 2.813 ( 2.757 1.809 0.000) 3.298 3.002 ( -10.010 -2.221 0.000) 10.254 3.005 ( -6.992 4.677 0.000) 8.412 3.113 ( -1.486 -1.562 0.000) 2.156 3.156 ( -9.697 -5.373 0.000) 11.086 3.470 ( 3.821 -10.422 0.000) 11.101 3.550 ( -4.773 -7.156 0.000) 8.602 4.437 ( 3.019 21.323 0.000) 21.536 4.445 ( 0.850 24.596 0.000) 24.611 4.943 ( 10.735 -0.718 0.000) 10.759 4.987 ( 4.111 -2.362 0.000) 4.741 5.121 ( 22.699 9.320 0.000) 24.538 5.329 ( 7.694 9.936 0.000) 12.567 5.464 ( 3.212 0.826 0.000) 3.317 5.474 ( 8.057 4.532 0.000) 9.245 5.608 ( -15.350 6.327 0.000) 16.603 5.633 ( -8.696 1.207 0.000) 8.779 6.458 ( 20.329 7.280 0.000) 21.593 6.657 ( 5.331 5.776 0.000) 7.860 6.894 ( 10.537 -2.306 0.000) 10.787 6.987 ( 0.331 -1.515 0.000) 1.551 7.042 ( -5.732 0.203 0.000) 5.736 7.117 ( -6.915 -1.609 0.000) 7.100 7.810 ( 4.251 -4.782 0.000) 6.398 7.874 ( -0.975 -12.669 0.000) 12.706 8.059 ( 4.362 3.744 0.000) 5.748 8.150 ( 3.721 -7.474 0.000) 8.349 8.242 ( -2.476 -10.577 0.000) 10.863 8.254 ( -13.310 2.761 0.000) 13.594 8.709 ( 13.860 13.272 0.000) 19.190 8.881 ( -1.891 4.112 0.000) 4.526 8.982 ( -0.771 7.835 0.000) 7.872 9.160 ( -20.996 19.486 0.000) 28.645 9.917 ( 11.517 0.365 0.000) 11.523 10.226 ( -19.757 4.273 0.000) 20.214 10.275 ( 28.441 -6.484 0.000) 29.170 10.778 ( -22.256 -8.007 0.000) 23.653 10.929 ( 16.170 -8.481 0.000) 18.259 11.245 ( -15.674 -7.755 0.000) 17.488 12.237 ( 8.255 2.081 0.000) 8.514 12.263 ( 5.947 2.404 0.000) 6.414 12.769 ( -0.830 -5.038 0.000) 5.106 12.836 ( -8.219 -6.281 0.000) 10.344 14.573 ( 5.825 14.594 0.000) 15.713 14.676 ( -4.849 12.256 0.000) 13.180 15.366 ( 15.244 2.607 0.000) 15.465 15.604 ( 2.573 -0.727 0.000) 2.673 15.660 ( 13.339 -1.811 0.000) 13.462 15.719 ( 1.004 -0.866 0.000) 1.326 15.916 ( -12.956 -1.592 0.000) 13.054 15.947 ( -11.081 -6.289 0.000) 12.741 21.592 ( 15.421 0.411 0.000) 15.427 21.885 ( -14.920 1.995 0.000) 15.052 22.244 ( 21.698 -7.807 0.000) 23.060 22.637 ( -18.680 -8.524 0.000) 20.532 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 32.713 0.000) 32.713 1.521 ( 0.000 31.819 0.000) 31.819 2.538 ( 0.000 -17.394 0.000) 17.394 2.551 ( 0.000 -16.544 0.000) 16.544 2.847 ( 0.000 53.582 0.000) 53.582 2.981 ( 0.000 -0.680 0.000) 0.680 3.026 ( 0.000 -3.757 0.000) 3.757 3.101 ( 0.000 10.048 0.000) 10.048 3.301 ( 0.000 -2.317 0.000) 2.317 3.662 ( 0.000 -6.753 0.000) 6.753 3.712 ( 0.000 -8.306 0.000) 8.306 3.849 ( 0.000 5.246 0.000) 5.246 4.007 ( 0.000 -4.349 0.000) 4.349 4.283 ( 0.000 5.268 0.000) 5.268 4.354 ( 0.000 -15.100 0.000) 15.100 4.451 ( 0.000 -2.278 0.000) 2.278 4.694 ( 0.000 7.068 0.000) 7.068 4.709 ( 0.000 10.798 0.000) 10.798 4.926 ( 0.000 19.910 0.000) 19.910 5.129 ( 0.000 -4.374 0.000) 4.374 5.433 ( 0.000 -13.373 0.000) 13.373 5.510 ( 0.000 33.790 0.000) 33.790 5.749 ( 0.000 -16.548 0.000) 16.548 5.963 ( 0.000 -2.300 0.000) 2.300 6.192 ( 0.000 23.300 0.000) 23.300 6.446 ( 0.000 19.597 0.000) 19.597 6.904 ( 0.000 0.061 0.000) 0.061 7.067 ( 0.000 -8.922 0.000) 8.922 7.318 ( 0.000 -17.313 0.000) 17.313 7.406 ( 0.000 -14.439 0.000) 14.439 7.553 ( 0.000 16.745 0.000) 16.745 8.072 ( 0.000 2.547 0.000) 2.547 8.206 ( 0.000 -10.490 0.000) 10.490 8.234 ( 0.000 -6.235 0.000) 6.235 9.065 ( 0.000 -15.378 0.000) 15.378 9.073 ( 0.000 10.362 0.000) 10.362 9.156 ( 0.000 -13.491 0.000) 13.491 9.387 ( 0.000 -3.270 0.000) 3.270 9.570 ( 0.000 -0.562 0.000) 0.562 9.580 ( 0.000 -0.679 0.000) 0.679 10.866 ( 0.000 7.712 0.000) 7.712 11.180 ( 0.000 -6.161 0.000) 6.161 11.402 ( 0.000 6.865 0.000) 6.865 11.720 ( 0.000 -6.947 0.000) 6.947 12.022 ( 0.000 12.236 0.000) 12.236 12.276 ( 0.000 16.936 0.000) 16.936 12.547 ( 0.000 -11.412 0.000) 11.412 13.090 ( 0.000 -18.847 0.000) 18.847 14.355 ( 0.000 4.506 0.000) 4.506 14.537 ( 0.000 -3.653 0.000) 3.653 14.723 ( 0.000 22.059 0.000) 22.059 14.847 ( 0.000 13.714 0.000) 13.714 15.015 ( 0.000 -4.357 0.000) 4.357 15.881 ( 0.000 -19.185 0.000) 19.185 16.269 ( 0.000 2.631 0.000) 2.631 16.386 ( 0.000 -2.564 0.000) 2.564 21.121 ( 0.000 2.702 0.000) 2.702 21.252 ( 0.000 -3.137 0.000) 3.137 22.607 ( 0.000 5.662 0.000) 5.662 22.997 ( 0.000 -11.785 0.000) 11.785 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 12.568 27.904 0.000) 30.604 1.721 ( 15.531 26.694 0.000) 30.883 2.591 ( 3.266 -15.731 0.000) 16.067 2.599 ( 3.353 -15.612 0.000) 15.968 2.937 ( 2.778 6.147 0.000) 6.746 2.979 ( 6.178 10.048 0.000) 11.795 3.006 ( -8.374 8.232 0.000) 11.742 3.127 ( 12.437 24.787 0.000) 27.732 3.260 ( -5.089 -4.411 0.000) 6.735 3.590 ( -6.454 -5.969 0.000) 8.791 3.666 ( -4.536 -7.303 0.000) 8.597 3.717 ( -10.958 4.671 0.000) 11.912 4.052 ( -0.440 -5.438 0.000) 5.456 4.335 ( 0.923 3.257 0.000) 3.386 4.358 ( 7.968 6.814 0.000) 10.485 4.541 ( 8.426 -1.793 0.000) 8.615 4.705 ( 1.453 5.132 0.000) 5.333 4.767 ( 10.781 -2.092 0.000) 10.982 4.996 ( 6.715 18.251 0.000) 19.447 5.167 ( 4.873 -2.662 0.000) 5.553 5.486 ( -1.846 26.696 0.000) 26.760 5.531 ( 6.766 -15.257 0.000) 16.690 5.809 ( 5.592 -7.040 0.000) 8.991 6.003 ( 5.145 0.248 0.000) 5.151 6.324 ( 11.982 16.706 0.000) 20.559 6.448 ( 2.161 16.306 0.000) 16.448 7.140 ( 7.808 -9.717 0.000) 12.466 7.258 ( 24.746 -1.462 0.000) 24.790 7.339 ( -4.270 -8.060 0.000) 9.121 7.406 ( 13.381 -5.814 0.000) 14.589 7.684 ( 10.396 10.672 0.000) 14.898 8.122 ( 4.331 2.654 0.000) 5.080 8.160 ( -4.627 -8.588 0.000) 9.755 8.249 ( 1.385 -5.440 0.000) 5.613 9.010 ( -6.753 -9.455 0.000) 11.619 9.071 ( -0.697 5.538 0.000) 5.582 9.124 ( -2.389 -14.688 0.000) 14.881 9.371 ( -1.255 -4.851 0.000) 5.011 9.499 ( -3.880 2.100 0.000) 4.412 9.708 ( 10.014 -7.573 0.000) 12.555 10.759 ( -10.612 9.341 0.000) 14.137 11.160 ( -2.265 -8.999 0.000) 9.279 11.331 ( -7.341 7.558 0.000) 10.536 11.692 ( -3.410 -8.354 0.000) 9.023 12.042 ( 2.153 13.090 0.000) 13.266 12.216 ( -4.338 19.833 0.000) 20.302 12.574 ( 2.509 -11.248 0.000) 11.524 13.050 ( -4.045 -18.606 0.000) 19.041 14.486 ( 13.114 4.373 0.000) 13.824 14.667 ( 11.117 -4.095 0.000) 11.847 14.756 ( 3.280 23.763 0.000) 23.988 14.873 ( 2.928 11.319 0.000) 11.692 15.054 ( 4.106 -4.197 0.000) 5.872 15.886 ( 0.356 -19.044 0.000) 19.048 16.237 ( -3.316 2.722 0.000) 4.290 16.358 ( -3.001 -2.630 0.000) 3.991 21.083 ( -1.872 4.227 0.000) 4.623 21.284 ( 3.580 -4.705 0.000) 5.912 22.568 ( -4.087 5.999 0.000) 7.259 22.973 ( -2.665 -12.080 0.000) 12.370 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 15.542 18.302 0.000) 24.011 1.986 ( 12.088 18.974 0.000) 22.497 2.610 ( -2.883 -9.966 0.000) 10.374 2.617 ( 0.086 -10.595 0.000) 10.595 2.876 ( -2.943 0.661 0.000) 3.017 2.926 ( -3.918 -2.939 0.000) 4.898 3.069 ( 1.517 -7.952 0.000) 8.096 3.089 ( -11.836 -7.634 0.000) 14.084 3.431 ( 2.326 15.930 0.000) 16.099 3.460 ( -7.463 -2.260 0.000) 7.797 3.512 ( -4.948 4.133 0.000) 6.447 3.562 ( -5.271 -7.245 0.000) 8.960 4.113 ( 18.268 18.249 0.000) 25.822 4.469 ( 11.409 11.591 0.000) 16.264 4.574 ( 13.635 7.458 0.000) 15.541 4.714 ( 8.012 1.570 0.000) 8.164 4.751 ( 3.403 1.545 0.000) 3.737 5.072 ( 16.223 -9.770 0.000) 18.938 5.156 ( 9.745 13.205 0.000) 16.411 5.388 ( 21.010 -4.079 0.000) 21.403 5.466 ( 0.153 16.469 0.000) 16.470 5.631 ( 3.733 -12.370 0.000) 12.921 5.942 ( 7.721 7.833 0.000) 10.999 6.169 ( 12.101 1.909 0.000) 12.250 6.537 ( 6.646 12.534 0.000) 14.187 6.582 ( 13.714 6.911 0.000) 15.356 7.166 ( -1.254 -13.988 0.000) 14.045 7.265 ( -3.835 -6.488 0.000) 7.537 7.688 ( 18.192 9.997 0.000) 20.758 7.866 ( 23.504 -2.379 0.000) 23.624 7.880 ( 7.362 8.411 0.000) 11.178 8.050 ( -5.184 -5.188 0.000) 7.334 8.185 ( 1.192 6.438 0.000) 6.547 8.327 ( 10.033 -1.762 0.000) 10.186 8.813 ( -12.968 -2.411 0.000) 13.190 9.041 ( -1.638 0.874 0.000) 1.857 9.043 ( -6.966 -14.425 0.000) 16.019 9.368 ( 2.442 -9.637 0.000) 9.942 9.467 ( 2.114 4.308 0.000) 4.799 9.953 ( 15.210 -13.427 0.000) 20.289 10.491 ( -16.535 12.992 0.000) 21.028 11.080 ( -6.615 -14.006 0.000) 15.490 11.124 ( -14.252 9.333 0.000) 17.036 11.569 ( -9.726 -10.297 0.000) 14.164 12.104 ( 4.282 13.451 0.000) 14.116 12.182 ( 1.566 18.583 0.000) 18.648 12.623 ( 2.154 -10.671 0.000) 10.886 12.944 ( -6.797 -16.844 0.000) 18.164 14.801 ( 16.437 3.503 0.000) 16.806 14.831 ( 4.102 26.934 0.000) 27.245 14.881 ( 12.029 -0.057 0.000) 12.029 14.973 ( 7.880 6.328 0.000) 10.106 15.171 ( 8.125 -3.996 0.000) 9.055 15.886 ( -0.610 -18.390 0.000) 18.401 16.141 ( -6.892 2.869 0.000) 7.465 16.266 ( -6.741 -2.627 0.000) 7.235 21.120 ( 6.534 3.959 0.000) 7.640 21.408 ( 9.840 -7.691 0.000) 12.489 22.449 ( -8.406 6.698 0.000) 10.749 22.886 ( -6.789 -12.720 0.000) 14.418 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 9.733 7.202 0.000) 12.108 2.195 ( 9.658 10.617 0.000) 14.352 2.539 ( -2.152 -8.045 0.000) 8.328 2.644 ( 1.747 -6.394 0.000) 6.628 2.792 ( -6.549 -2.867 0.000) 7.149 2.821 ( -6.510 -2.881 0.000) 7.119 2.930 ( -1.268 -6.449 0.000) 6.572 3.017 ( -8.819 -17.166 0.000) 19.299 3.286 ( -9.992 1.520 0.000) 10.107 3.319 ( -6.229 6.903 0.000) 9.298 3.411 ( -4.877 1.419 0.000) 5.079 3.487 ( -3.023 -7.970 0.000) 8.524 4.616 ( 12.801 13.342 0.000) 18.490 4.782 ( 3.758 8.597 0.000) 9.382 4.805 ( 28.805 22.714 0.000) 36.683 4.834 ( 11.320 -0.918 0.000) 11.357 4.845 ( 8.429 2.000 0.000) 8.663 5.328 ( 11.354 0.294 0.000) 11.358 5.355 ( 10.339 8.097 0.000) 13.132 5.497 ( 2.927 7.717 0.000) 8.254 5.676 ( 1.139 -5.395 0.000) 5.513 5.933 ( 32.206 -11.011 0.000) 34.036 6.057 ( 2.585 22.219 0.000) 22.369 6.458 ( 17.561 2.289 0.000) 17.709 6.690 ( 9.334 8.933 0.000) 12.920 6.815 ( 10.318 -0.749 0.000) 10.345 7.134 ( -2.033 -8.622 0.000) 8.859 7.172 ( -6.636 -6.413 0.000) 9.228 7.821 ( -8.629 2.224 0.000) 8.911 7.879 ( -1.209 4.325 0.000) 4.491 8.049 ( 0.071 -8.260 0.000) 8.261 8.055 ( -0.201 -3.875 0.000) 3.880 8.209 ( 2.128 15.416 0.000) 15.562 8.551 ( -13.263 1.516 0.000) 13.350 8.630 ( 16.071 3.213 0.000) 16.389 8.896 ( -6.329 -11.114 0.000) 12.790 9.051 ( 3.621 3.923 0.000) 5.338 9.569 ( 20.361 -13.428 0.000) 24.391 9.590 ( 9.560 9.827 0.000) 13.710 10.130 ( -13.876 16.328 0.000) 21.427 10.302 ( 14.787 -15.506 0.000) 21.427 10.798 ( -19.479 11.461 0.000) 22.601 10.891 ( -13.420 -16.243 0.000) 21.070 11.331 ( -14.700 -11.716 0.000) 18.798 12.204 ( 6.091 10.477 0.000) 12.119 12.258 ( 5.364 11.538 0.000) 12.724 12.645 ( 0.017 -9.421 0.000) 9.421 12.803 ( -7.613 -13.219 0.000) 15.255 14.903 ( 3.427 25.441 0.000) 25.671 14.959 ( 3.517 9.895 0.000) 10.502 15.172 ( 12.642 4.831 0.000) 13.534 15.216 ( 18.683 -2.883 0.000) 18.904 15.362 ( 11.676 -3.752 0.000) 12.264 15.851 ( -3.389 -16.695 0.000) 17.035 15.971 ( -10.840 3.070 0.000) 11.266 16.100 ( -10.588 -2.639 0.000) 10.912 21.327 ( 14.423 3.534 0.000) 14.850 21.667 ( 17.069 -10.243 0.000) 19.907 22.246 ( -12.775 7.027 0.000) 14.580 22.703 ( -12.522 -13.157 0.000) 18.164 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 4.002 -2.828 0.000) 4.900 2.321 ( 2.406 0.645 0.000) 2.490 2.540 ( 2.711 -12.210 0.000) 12.507 2.623 ( -2.373 -5.770 0.000) 6.239 2.746 ( -1.245 1.793 0.000) 2.183 2.766 ( -3.813 -7.632 0.000) 8.531 2.829 ( -0.921 -7.796 0.000) 7.850 2.905 ( -3.840 -5.441 0.000) 6.660 3.148 ( -1.977 5.115 0.000) 5.484 3.203 ( -5.673 6.212 0.000) 8.413 3.390 ( 1.418 -1.913 0.000) 2.381 3.433 ( -2.734 -6.255 0.000) 6.826 4.743 ( 3.708 7.718 0.000) 8.563 4.790 ( -1.355 9.061 0.000) 9.162 4.913 ( 3.883 -2.561 0.000) 4.652 4.947 ( 1.226 -1.792 0.000) 2.171 5.481 ( 24.603 19.432 0.000) 31.351 5.500 ( 7.266 3.879 0.000) 8.236 5.527 ( 7.177 4.952 0.000) 8.719 5.545 ( 0.880 3.511 0.000) 3.619 5.683 ( 2.806 7.437 0.000) 7.948 5.972 ( -12.808 28.617 0.000) 31.352 6.512 ( 26.199 -7.464 0.000) 27.241 6.766 ( 8.944 2.420 0.000) 9.266 6.875 ( 8.581 3.569 0.000) 9.294 6.960 ( 2.952 -1.319 0.000) 3.233 6.995 ( -8.151 -5.511 0.000) 9.839 7.075 ( -4.903 -2.583 0.000) 5.542 7.685 ( -4.174 -2.894 0.000) 5.079 7.730 ( -9.015 -1.115 0.000) 9.084 7.974 ( -4.306 -9.342 0.000) 10.287 7.991 ( -4.488 -11.675 0.000) 12.508 8.254 ( 3.029 13.377 0.000) 13.716 8.350 ( -7.516 7.198 0.000) 10.407 8.813 ( 3.201 -6.298 0.000) 7.065 8.836 ( -0.800 -9.800 0.000) 9.833 9.254 ( 17.641 19.949 0.000) 26.630 9.605 ( -14.696 23.337 0.000) 27.579 10.040 ( 12.854 12.319 0.000) 17.804 10.056 ( 27.091 -14.934 0.000) 30.935 10.402 ( -21.140 12.764 0.000) 24.695 10.513 ( -15.163 -17.741 0.000) 23.338 10.691 ( 12.378 -14.452 0.000) 19.029 11.021 ( -17.538 -13.748 0.000) 22.284 12.318 ( 4.921 5.885 0.000) 7.671 12.345 ( 2.521 5.708 0.000) 6.240 12.634 ( -0.431 -7.832 0.000) 7.844 12.673 ( -5.134 -9.012 0.000) 10.372 14.959 ( 2.321 21.763 0.000) 21.886 14.986 ( -0.251 16.662 0.000) 16.663 15.437 ( 14.400 4.066 0.000) 14.963 15.523 ( 12.343 -7.583 0.000) 14.486 15.607 ( 13.616 -3.369 0.000) 14.026 15.737 ( -12.768 2.592 0.000) 13.029 15.748 ( -7.410 -13.304 0.000) 15.228 15.869 ( -13.254 -2.891 0.000) 13.566 21.639 ( 17.452 4.782 0.000) 18.095 21.966 ( -16.311 6.352 0.000) 17.505 22.033 ( 20.374 -11.953 0.000) 23.622 22.408 ( -18.096 -12.938 0.000) 22.246 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 0.000 -24.964 0.000) 24.964 2.100 ( 0.000 24.964 0.000) 24.964 2.110 ( 0.000 -26.068 0.000) 26.068 2.110 ( 0.000 26.068 0.000) 26.068 2.955 ( 0.000 -2.334 0.000) 2.334 2.955 ( 0.000 2.334 0.000) 2.334 3.270 ( 0.000 -4.258 0.000) 4.258 3.270 ( 0.000 4.258 0.000) 4.258 3.582 ( 0.000 -1.414 0.000) 1.414 3.582 ( 0.000 1.414 0.000) 1.414 3.820 ( 0.000 -32.393 0.000) 32.393 3.820 ( 0.000 32.393 0.000) 32.393 3.953 ( 0.000 -7.868 0.000) 7.868 3.953 ( 0.000 7.868 0.000) 7.868 4.383 ( 0.000 -4.298 0.000) 4.298 4.383 ( 0.000 4.298 0.000) 4.298 4.804 ( 0.000 -2.494 0.000) 2.494 4.804 ( 0.000 2.494 0.000) 2.494 5.167 ( 0.000 -9.827 0.000) 9.827 5.167 ( 0.000 9.827 0.000) 9.827 5.353 ( 0.000 -21.120 0.000) 21.120 5.353 ( 0.000 21.120 0.000) 21.120 5.878 ( 0.000 -7.491 0.000) 7.491 5.878 ( 0.000 7.491 0.000) 7.491 6.882 ( 0.000 -18.094 0.000) 18.094 6.882 ( 0.000 18.094 0.000) 18.094 6.885 ( 0.000 -35.654 0.000) 35.654 6.885 ( 0.000 35.654 0.000) 35.654 6.950 ( 0.000 -1.155 0.000) 1.155 6.950 ( 0.000 1.155 0.000) 1.155 7.919 ( 0.000 -17.609 0.000) 17.609 7.919 ( 0.000 17.609 0.000) 17.609 8.135 ( 0.000 -3.728 0.000) 3.728 8.135 ( 0.000 3.728 0.000) 3.728 8.941 ( 0.000 -4.573 0.000) 4.573 8.941 ( 0.000 4.573 0.000) 4.573 9.268 ( 0.000 -8.153 0.000) 8.153 9.268 ( 0.000 8.153 0.000) 8.153 9.569 ( 0.000 -0.333 0.000) 0.333 9.569 ( 0.000 0.333 0.000) 0.333 11.032 ( 0.000 -8.081 0.000) 8.081 11.032 ( 0.000 8.081 0.000) 8.081 11.560 ( 0.000 -8.274 0.000) 8.274 11.560 ( 0.000 8.274 0.000) 8.274 12.289 ( 0.000 -13.403 0.000) 13.403 12.289 ( 0.000 13.403 0.000) 13.403 12.673 ( 0.000 -21.007 0.000) 21.007 12.673 ( 0.000 21.007 0.000) 21.007 14.451 ( 0.000 -4.644 0.000) 4.644 14.451 ( 0.000 4.644 0.000) 4.644 14.911 ( 0.000 -5.800 0.000) 5.800 14.911 ( 0.000 5.800 0.000) 5.800 15.391 ( 0.000 -28.169 0.000) 28.169 15.391 ( 0.000 28.169 0.000) 28.169 16.328 ( 0.000 -2.997 0.000) 2.997 16.328 ( 0.000 2.997 0.000) 2.997 21.184 ( 0.000 -3.359 0.000) 3.359 21.184 ( 0.000 3.359 0.000) 3.359 22.767 ( 0.000 -10.001 0.000) 10.001 22.767 ( 0.000 10.001 0.000) 10.001 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 6.309 -24.109 0.000) 24.921 2.176 ( 6.309 24.109 0.000) 24.921 2.217 ( 8.726 -21.645 0.000) 23.338 2.217 ( 8.726 21.645 0.000) 23.338 2.946 ( 0.150 -2.684 0.000) 2.688 2.946 ( 0.150 2.684 0.000) 2.688 3.167 ( -9.846 -6.431 0.000) 11.760 3.167 ( -9.846 6.431 0.000) 11.760 3.547 ( -3.427 -2.953 0.000) 4.523 3.547 ( -3.427 2.953 0.000) 4.523 3.734 ( -8.205 -8.957 0.000) 12.147 3.734 ( -8.205 8.957 0.000) 12.147 4.119 ( 16.960 -16.458 0.000) 23.633 4.119 ( 16.960 16.458 0.000) 23.633 4.475 ( 9.021 -4.620 0.000) 10.135 4.475 ( 9.021 4.620 0.000) 10.135 4.777 ( -1.568 -1.286 0.000) 2.028 4.777 ( -1.568 1.286 0.000) 2.028 5.234 ( 6.745 -10.841 0.000) 12.768 5.234 ( 6.745 10.841 0.000) 12.768 5.380 ( 2.153 -18.121 0.000) 18.249 5.380 ( 2.153 18.121 0.000) 18.249 5.942 ( 6.876 -6.612 0.000) 9.540 5.942 ( 6.876 6.612 0.000) 9.540 6.819 ( -0.726 -18.713 0.000) 18.727 6.819 ( -0.726 18.713 0.000) 18.727 6.916 ( 2.861 -31.704 0.000) 31.833 6.916 ( 2.861 31.704 0.000) 31.833 7.298 ( 27.253 -4.110 0.000) 27.561 7.298 ( 27.253 4.110 0.000) 27.561 7.941 ( 2.056 -12.939 0.000) 13.101 7.941 ( 2.056 12.939 0.000) 13.101 8.171 ( 3.632 -2.638 0.000) 4.489 8.171 ( 3.632 2.638 0.000) 4.489 8.922 ( -2.565 -3.926 0.000) 4.690 8.922 ( -2.565 3.926 0.000) 4.690 9.231 ( -3.638 -8.439 0.000) 9.190 9.231 ( -3.638 8.439 0.000) 9.190 9.574 ( 1.326 -5.219 0.000) 5.385 9.574 ( 1.326 5.219 0.000) 5.385 10.963 ( -6.910 -10.165 0.000) 12.291 10.963 ( -6.910 10.165 0.000) 12.291 11.508 ( -5.631 -9.286 0.000) 10.860 11.508 ( -5.631 9.286 0.000) 10.860 12.318 ( 2.733 -13.476 0.000) 13.750 12.318 ( 2.733 13.476 0.000) 13.750 12.637 ( -3.273 -21.131 0.000) 21.383 12.637 ( -3.273 21.131 0.000) 21.383 14.579 ( 12.283 -4.542 0.000) 13.096 14.579 ( 12.283 4.542 0.000) 13.096 14.950 ( 4.193 -5.686 0.000) 7.065 14.950 ( 4.193 5.686 0.000) 7.065 15.401 ( 0.930 -27.803 0.000) 27.819 15.401 ( 0.930 27.803 0.000) 27.819 16.298 ( -3.139 -3.104 0.000) 4.415 16.298 ( -3.139 3.104 0.000) 4.415 21.181 ( 0.507 -5.174 0.000) 5.199 21.181 ( 0.507 5.174 0.000) 5.199 22.736 ( -3.355 -10.385 0.000) 10.913 22.736 ( -3.355 10.385 0.000) 10.913 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 5.778 -18.141 0.000) 19.039 2.306 ( 5.778 18.141 0.000) 19.039 2.348 ( 5.445 -15.747 0.000) 16.662 2.348 ( 5.445 15.747 0.000) 16.662 2.935 ( -3.534 -4.028 0.000) 5.359 2.935 ( -3.534 4.028 0.000) 5.359 2.953 ( -10.561 -5.673 0.000) 11.988 2.953 ( -10.561 5.673 0.000) 11.988 3.459 ( -5.561 -2.694 0.000) 6.179 3.459 ( -5.561 2.694 0.000) 6.179 3.549 ( -9.508 -1.049 0.000) 9.566 3.549 ( -9.508 1.049 0.000) 9.566 4.558 ( 23.306 -10.443 0.000) 25.538 4.558 ( 23.306 10.443 0.000) 25.538 4.687 ( 11.765 -3.674 0.000) 12.325 4.687 ( 11.765 3.674 0.000) 12.325 4.815 ( 10.065 -10.016 0.000) 14.199 4.815 ( 10.065 10.016 0.000) 14.199 5.405 ( 10.645 -7.353 0.000) 12.938 5.405 ( 10.645 7.353 0.000) 12.938 5.422 ( 2.574 -11.360 0.000) 11.648 5.422 ( 2.574 11.360 0.000) 11.648 6.140 ( 13.534 -5.581 0.000) 14.640 6.140 ( 13.534 5.581 0.000) 14.640 6.841 ( 2.732 -16.529 0.000) 16.753 6.841 ( 2.732 16.529 0.000) 16.753 6.967 ( 1.639 -23.023 0.000) 23.082 6.967 ( 1.639 23.023 0.000) 23.082 7.808 ( 19.837 -3.558 0.000) 20.154 7.808 ( 19.837 3.558 0.000) 20.154 7.974 ( 0.556 -2.445 0.000) 2.507 7.974 ( 0.556 2.445 0.000) 2.507 8.291 ( 10.863 -3.210 0.000) 11.327 8.291 ( 10.863 3.210 0.000) 11.327 8.820 ( -8.194 -5.128 0.000) 9.666 8.820 ( -8.194 5.128 0.000) 9.666 9.158 ( -2.363 -9.696 0.000) 9.980 9.158 ( -2.363 9.696 0.000) 9.980 9.663 ( 8.824 -13.349 0.000) 16.002 9.663 ( 8.824 13.349 0.000) 16.002 10.783 ( -11.582 -14.829 0.000) 18.816 10.783 ( -11.582 14.829 0.000) 18.816 11.341 ( -11.779 -11.457 0.000) 16.431 11.341 ( -11.779 11.457 0.000) 16.431 12.378 ( 3.173 -13.081 0.000) 13.460 12.378 ( 3.173 13.081 0.000) 13.460 12.570 ( -3.225 -19.150 0.000) 19.420 12.570 ( -3.225 19.150 0.000) 19.420 14.859 ( 15.458 -2.067 0.000) 15.596 14.859 ( 15.458 2.067 0.000) 15.596 15.072 ( 8.501 -5.359 0.000) 10.049 15.072 ( 8.501 5.359 0.000) 10.049 15.420 ( 0.931 -26.566 0.000) 26.583 15.420 ( 0.931 26.566 0.000) 26.583 16.205 ( -6.751 -3.238 0.000) 7.487 16.205 ( -6.751 3.238 0.000) 7.487 21.245 ( 7.044 -7.672 0.000) 10.415 21.245 ( 7.044 7.672 0.000) 10.415 22.633 ( -7.593 -11.214 0.000) 13.543 22.633 ( -7.593 11.214 0.000) 13.543 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -1.189 -9.561 0.000) 9.635 2.349 ( -1.189 9.561 0.000) 9.635 2.446 ( 4.066 -12.575 0.000) 13.216 2.446 ( 4.066 12.575 0.000) 13.216 2.792 ( -9.004 -4.403 0.000) 10.023 2.792 ( -9.004 4.403 0.000) 10.023 2.832 ( -1.970 -3.175 0.000) 3.736 2.832 ( -1.970 3.175 0.000) 3.736 3.349 ( -5.346 -5.024 0.000) 7.337 3.349 ( -5.346 5.024 0.000) 7.337 3.408 ( -5.491 -2.026 0.000) 5.853 3.408 ( -5.491 2.026 0.000) 5.853 4.760 ( 4.940 -4.458 0.000) 6.654 4.760 ( 4.940 4.458 0.000) 6.654 4.863 ( 5.591 -0.739 0.000) 5.640 4.863 ( 5.591 0.739 0.000) 5.640 5.288 ( 26.655 -11.898 0.000) 29.190 5.288 ( 26.655 11.898 0.000) 29.190 5.493 ( 4.837 -4.911 0.000) 6.893 5.493 ( 4.837 4.911 0.000) 6.893 5.653 ( 17.922 -8.991 0.000) 20.051 5.653 ( 17.922 8.991 0.000) 20.051 6.429 ( 15.234 -8.060 0.000) 17.235 6.429 ( 15.234 8.060 0.000) 17.235 6.916 ( 4.800 -11.899 0.000) 12.830 6.916 ( 4.800 11.899 0.000) 12.830 6.954 ( -3.107 -13.515 0.000) 13.867 6.954 ( -3.107 13.515 0.000) 13.867 7.927 ( -6.200 -7.550 0.000) 9.769 7.927 ( -6.200 7.550 0.000) 9.769 7.932 ( -3.703 -3.263 0.000) 4.936 7.932 ( -3.703 3.263 0.000) 4.936 8.526 ( 7.442 -12.450 0.000) 14.505 8.526 ( 7.442 12.450 0.000) 14.505 8.651 ( -7.695 -9.231 0.000) 12.018 8.651 ( -7.695 9.231 0.000) 12.018 9.261 ( 15.988 -15.071 0.000) 21.972 9.261 ( 15.988 15.071 0.000) 21.972 9.908 ( 15.899 -18.857 0.000) 24.665 9.908 ( 15.899 18.857 0.000) 24.665 10.527 ( -14.999 -18.809 0.000) 24.057 10.527 ( -14.999 18.809 0.000) 24.057 11.064 ( -16.989 -13.832 0.000) 21.908 11.064 ( -16.989 13.832 0.000) 21.908 12.431 ( 2.306 -11.218 0.000) 11.453 12.431 ( 2.306 11.218 0.000) 11.453 12.521 ( -1.954 -13.844 0.000) 13.981 12.521 ( -1.954 13.844 0.000) 13.981 15.125 ( 11.867 -6.248 0.000) 13.411 15.125 ( 11.867 6.248 0.000) 13.411 15.271 ( 12.214 -4.968 0.000) 13.186 15.271 ( 12.214 4.968 0.000) 13.186 15.428 ( -0.305 -24.108 0.000) 24.110 15.428 ( -0.305 24.108 0.000) 24.110 16.038 ( -10.690 -3.301 0.000) 11.188 16.038 ( -10.690 3.301 0.000) 11.188 21.460 ( 15.210 -9.108 0.000) 17.729 21.460 ( 15.210 9.108 0.000) 17.729 22.440 ( -12.725 -11.762 0.000) 17.329 22.440 ( -12.725 11.762 0.000) 17.329 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 1.490 -6.443 0.000) 6.613 2.333 ( 1.490 6.443 0.000) 6.613 2.420 ( -6.170 -9.104 0.000) 10.998 2.420 ( -6.170 9.104 0.000) 10.998 2.736 ( 3.446 -3.080 0.000) 4.622 2.736 ( 3.446 3.080 0.000) 4.622 2.809 ( -2.360 -4.011 0.000) 4.653 2.809 ( -2.360 4.011 0.000) 4.653 3.285 ( -0.658 -7.641 0.000) 7.670 3.285 ( -0.658 7.641 0.000) 7.670 3.321 ( -3.687 -4.892 0.000) 6.126 3.321 ( -3.687 4.892 0.000) 6.126 4.846 ( 3.998 -3.806 0.000) 5.520 4.846 ( 3.998 3.806 0.000) 5.520 4.900 ( -1.138 -3.192 0.000) 3.389 4.900 ( -1.138 3.192 0.000) 3.389 5.564 ( 5.162 -2.902 0.000) 5.921 5.564 ( 5.162 2.902 0.000) 5.921 5.577 ( 2.810 -0.891 0.000) 2.948 5.577 ( 2.810 0.891 0.000) 2.948 6.147 ( 28.315 -25.413 0.000) 38.046 6.147 ( 28.315 25.413 0.000) 38.046 6.548 ( -9.351 -23.479 0.000) 25.273 6.548 ( -9.351 23.479 0.000) 25.273 6.939 ( 5.151 -1.214 0.000) 5.292 6.939 ( 5.151 1.214 0.000) 5.292 6.995 ( 1.947 -5.579 0.000) 5.910 6.995 ( 1.947 5.579 0.000) 5.910 7.776 ( -6.353 -9.293 0.000) 11.257 7.776 ( -6.353 9.293 0.000) 11.257 7.793 ( -7.484 -7.043 0.000) 10.277 7.793 ( -7.484 7.043 0.000) 10.277 8.564 ( -0.567 -15.621 0.000) 15.632 8.564 ( -0.567 15.621 0.000) 15.632 8.565 ( -1.523 -13.685 0.000) 13.770 8.565 ( -1.523 13.685 0.000) 13.770 9.685 ( 24.410 -20.684 0.000) 31.994 9.685 ( 24.410 20.684 0.000) 31.994 10.084 ( -11.847 -22.919 0.000) 25.800 10.084 ( -11.847 22.919 0.000) 25.800 10.361 ( 11.183 -16.979 0.000) 20.331 10.361 ( 11.183 16.979 0.000) 20.331 10.708 ( -19.724 -16.119 0.000) 25.473 10.708 ( -19.724 16.119 0.000) 25.473 12.466 ( 1.489 -8.176 0.000) 8.311 12.466 ( 1.489 8.176 0.000) 8.311 12.492 ( -1.298 -8.377 0.000) 8.477 12.492 ( -1.298 8.377 0.000) 8.477 15.304 ( 6.912 -13.650 0.000) 15.301 15.304 ( 6.912 13.650 0.000) 15.301 15.396 ( -2.844 -19.274 0.000) 19.482 15.396 ( -2.844 19.274 0.000) 19.482 15.532 ( 14.169 -3.662 0.000) 14.635 15.532 ( 14.169 3.662 0.000) 14.635 15.803 ( -13.676 -3.490 0.000) 14.115 15.803 ( -13.676 3.490 0.000) 14.115 21.796 ( 18.982 -10.360 0.000) 21.625 21.796 ( 18.982 10.360 0.000) 21.625 22.150 ( -17.377 -11.452 0.000) 20.811 22.150 ( -17.377 11.452 0.000) 20.811 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 0.000 37.250) 37.250 0.766 ( 0.000 0.000 37.788) 37.788 1.304 ( 0.000 0.000 64.797) 64.797 2.833 ( 0.000 0.000 -2.811) 2.811 2.903 ( 0.000 0.000 6.049) 6.049 3.065 ( 0.000 0.000 9.158) 9.158 3.078 ( 0.000 0.000 -1.895) 1.895 3.304 ( 0.000 0.000 1.253) 1.253 3.414 ( 0.000 0.000 4.354) 4.354 3.454 ( 0.000 0.000 -13.440) 13.440 3.562 ( 0.000 0.000 -19.416) 19.416 3.797 ( 0.000 0.000 -3.916) 3.916 4.063 ( 0.000 0.000 -5.641) 5.641 4.087 ( 0.000 0.000 10.331) 10.331 4.152 ( 0.000 0.000 -7.300) 7.300 4.318 ( 0.000 0.000 3.856) 3.856 4.494 ( 0.000 0.000 10.599) 10.599 4.551 ( 0.000 0.000 7.586) 7.586 4.638 ( 0.000 0.000 -7.294) 7.294 4.771 ( 0.000 0.000 16.395) 16.395 5.154 ( 0.000 0.000 -11.818) 11.818 5.755 ( 0.000 0.000 2.652) 2.652 6.120 ( 0.000 0.000 -1.072) 1.072 6.160 ( 0.000 0.000 15.327) 15.327 6.168 ( 0.000 0.000 2.595) 2.595 6.179 ( 0.000 0.000 27.312) 27.312 7.044 ( 0.000 0.000 0.205) 0.205 7.079 ( 0.000 0.000 -21.085) 21.085 7.355 ( 0.000 0.000 18.143) 18.143 7.439 ( 0.000 0.000 5.612) 5.612 7.763 ( 0.000 0.000 3.539) 3.539 7.957 ( 0.000 0.000 -5.356) 5.356 8.434 ( 0.000 0.000 -2.358) 2.358 8.475 ( 0.000 0.000 6.374) 6.374 8.708 ( 0.000 0.000 12.529) 12.529 9.273 ( 0.000 0.000 -10.767) 10.767 9.511 ( 0.000 0.000 -0.217) 0.217 9.571 ( 0.000 0.000 -8.942) 8.942 9.586 ( 0.000 0.000 -2.075) 2.075 9.630 ( 0.000 0.000 5.954) 5.954 10.549 ( 0.000 0.000 -9.416) 9.416 11.046 ( 0.000 0.000 -16.745) 16.745 11.305 ( 0.000 0.000 -4.274) 4.274 11.700 ( 0.000 0.000 -3.593) 3.593 12.040 ( 0.000 0.000 7.512) 7.512 12.568 ( 0.000 0.000 7.442) 7.442 12.886 ( 0.000 0.000 7.355) 7.355 13.501 ( 0.000 0.000 -1.884) 1.884 14.050 ( 0.000 0.000 4.506) 4.506 14.280 ( 0.000 0.000 5.257) 5.257 14.669 ( 0.000 0.000 5.507) 5.507 14.785 ( 0.000 0.000 10.457) 10.457 14.818 ( 0.000 0.000 -1.272) 1.272 16.168 ( 0.000 0.000 -4.357) 4.357 16.260 ( 0.000 0.000 0.287) 0.287 16.397 ( 0.000 0.000 -4.816) 4.816 21.024 ( 0.000 0.000 4.333) 4.333 21.393 ( 0.000 0.000 7.134) 7.134 22.463 ( 0.000 0.000 -4.882) 4.882 23.278 ( 0.000 0.000 -2.088) 2.088 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 26.008 0.000 23.670) 35.167 1.067 ( 23.877 0.000 23.975) 33.836 1.805 ( 44.306 0.000 43.659) 62.202 2.784 ( -4.450 0.000 -1.544) 4.710 2.953 ( 4.742 0.000 4.746) 6.709 3.029 ( -2.651 0.000 4.092) 4.875 3.131 ( 4.125 0.000 -2.296) 4.721 3.239 ( -4.108 0.000 -0.095) 4.109 3.438 ( -1.815 0.000 -11.207) 11.353 3.442 ( -8.318 0.000 -8.091) 11.604 3.612 ( 7.577 0.000 -5.638) 9.444 3.770 ( -4.244 0.000 4.477) 6.169 3.927 ( -0.770 0.000 4.820) 4.881 3.995 ( -6.150 0.000 -3.901) 7.283 4.184 ( 2.436 0.000 -7.554) 7.937 4.396 ( 4.690 0.000 -5.275) 7.058 4.555 ( 5.940 0.000 4.528) 7.469 4.561 ( 5.674 0.000 7.490) 9.396 4.927 ( 12.794 0.000 4.506) 13.564 4.981 ( 17.270 0.000 11.558) 20.780 5.125 ( 0.406 0.000 -13.310) 13.316 5.820 ( 5.667 0.000 -1.648) 5.902 6.088 ( -3.780 0.000 9.451) 10.179 6.151 ( 5.644 0.000 -3.037) 6.410 6.173 ( 3.699 0.000 13.364) 13.866 6.276 ( 7.532 0.000 13.278) 15.265 7.061 ( -0.038 0.000 -1.405) 1.405 7.225 ( 10.050 0.000 -0.628) 10.069 7.313 ( -1.971 0.000 -1.079) 2.247 7.481 ( 18.299 0.000 16.628) 24.725 7.742 ( -3.755 0.000 4.475) 5.842 7.928 ( 0.711 0.000 -7.317) 7.351 8.366 ( -6.509 0.000 -1.361) 6.650 8.509 ( 1.469 0.000 5.622) 5.811 9.109 ( 10.479 0.000 -4.651) 11.465 9.225 ( -4.979 0.000 -10.388) 11.519 9.276 ( -14.177 0.000 -9.767) 17.216 9.361 ( -0.774 0.000 -3.009) 3.107 9.718 ( 5.938 0.000 3.410) 6.848 9.901 ( 13.700 0.000 -0.298) 13.703 10.407 ( -12.919 0.000 -10.289) 16.516 10.987 ( -6.684 0.000 -16.012) 17.351 11.366 ( 6.067 0.000 -5.338) 8.081 11.658 ( -4.535 0.000 -2.942) 5.405 12.015 ( -2.404 0.000 8.723) 9.048 12.093 ( -20.127 0.000 36.523) 41.702 12.916 ( 2.732 0.000 8.083) 8.533 13.459 ( -5.158 0.000 -2.892) 5.914 14.081 ( 3.317 0.000 3.740) 5.000 14.350 ( 6.629 0.000 -0.413) 6.642 14.798 ( -1.316 0.000 -0.450) 1.390 14.876 ( 8.916 0.000 12.847) 15.638 14.915 ( 12.577 0.000 -10.672) 16.494 16.088 ( -6.763 0.000 -7.513) 10.109 16.301 ( 2.490 0.000 2.386) 3.449 16.361 ( -4.124 0.000 -5.893) 7.193 21.111 ( 6.091 0.000 7.263) 9.478 21.455 ( 6.544 0.000 7.067) 9.631 22.412 ( -5.266 0.000 -5.358) 7.513 23.256 ( -2.424 0.000 -2.420) 3.425 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 24.313 0.000 7.459) 25.432 1.583 ( 30.082 0.000 10.889) 31.993 2.612 ( 26.253 0.000 23.857) 35.474 2.697 ( -2.778 0.000 -0.890) 2.917 3.015 ( 4.632 0.000 0.231) 4.638 3.045 ( 3.063 0.000 2.498) 3.953 3.156 ( -16.338 0.000 1.086) 16.374 3.160 ( 0.803 0.000 -7.525) 7.568 3.262 ( 7.329 0.000 0.532) 7.349 3.389 ( -2.317 0.000 -4.763) 5.297 3.455 ( -13.344 0.000 -3.966) 13.921 3.882 ( -4.097 0.000 -0.695) 4.155 3.966 ( 9.038 0.000 1.264) 9.126 3.997 ( 5.475 0.000 1.571) 5.696 4.342 ( 16.159 0.000 -12.238) 20.270 4.431 ( -1.536 0.000 -4.937) 5.170 4.711 ( 10.098 0.000 7.717) 12.709 4.742 ( 12.540 0.000 5.382) 13.646 5.036 ( 5.852 0.000 7.447) 9.471 5.232 ( 7.048 0.000 -7.492) 10.286 5.331 ( 18.471 0.000 1.041) 18.501 5.884 ( -0.546 0.000 -3.241) 3.287 6.001 ( -6.326 0.000 1.921) 6.611 6.306 ( 9.372 0.000 10.156) 13.820 6.410 ( 19.662 0.000 -14.283) 24.303 6.480 ( 14.046 0.000 12.170) 18.585 7.105 ( 4.093 0.000 -1.467) 4.348 7.273 ( -3.710 0.000 -5.199) 6.387 7.373 ( 4.945 0.000 1.032) 5.051 7.682 ( 1.091 0.000 5.591) 5.696 7.941 ( 16.556 0.000 2.868) 16.803 7.963 ( 2.853 0.000 -8.413) 8.884 8.264 ( 1.649 0.000 7.556) 7.734 8.539 ( 1.180 0.000 4.389) 4.545 8.939 ( -13.296 0.000 6.694) 14.886 9.060 ( -5.541 0.000 -8.510) 10.155 9.093 ( -8.693 0.000 -6.435) 10.815 9.548 ( 7.788 0.000 -7.451) 10.778 9.789 ( 2.713 0.000 9.834) 10.201 9.897 ( -19.559 0.000 -12.867) 23.412 10.344 ( 13.010 0.000 -2.467) 13.242 10.787 ( -13.998 0.000 -12.891) 19.030 11.494 ( 5.183 0.000 -9.568) 10.882 11.521 ( -10.081 0.000 -1.348) 10.171 11.985 ( 0.866 0.000 15.127) 15.152 11.996 ( 6.021 0.000 24.119) 24.859 12.965 ( 1.704 0.000 9.431) 9.584 13.315 ( -9.544 0.000 -2.338) 9.826 14.172 ( 5.872 0.000 2.386) 6.338 14.502 ( 8.593 0.000 -10.583) 13.633 14.763 ( -1.687 0.000 -1.677) 2.379 15.103 ( 8.814 0.000 -12.229) 15.074 15.137 ( 17.791 0.000 17.375) 24.868 15.925 ( -10.306 0.000 -12.539) 16.231 16.237 ( -8.804 0.000 -8.880) 12.505 16.328 ( -0.066 0.000 4.843) 4.843 21.233 ( 7.069 0.000 8.255) 10.868 21.645 ( 13.362 0.000 6.447) 14.836 22.268 ( -9.500 0.000 -6.290) 11.393 23.175 ( -6.367 0.000 -2.985) 7.032 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 20.891 0.000 -3.105) 21.121 2.133 ( 26.734 0.000 4.623) 27.130 2.675 ( 1.508 0.000 -2.904) 3.272 2.753 ( 0.567 0.000 3.919) 3.960 2.888 ( -8.712 0.000 1.984) 8.935 2.930 ( -10.509 0.000 -5.058) 11.663 3.045 ( -6.563 0.000 1.108) 6.656 3.219 ( -10.183 0.000 -2.998) 10.615 3.262 ( -4.963 0.000 0.026) 4.963 3.316 ( 2.456 0.000 3.296) 4.110 3.578 ( 12.179 0.000 1.314) 12.250 3.884 ( 1.672 0.000 4.532) 4.830 3.992 ( 0.810 0.000 0.215) 0.838 4.123 ( 2.575 0.000 -0.849) 2.712 4.477 ( 14.398 0.000 -0.642) 14.413 4.723 ( 20.451 0.000 -9.076) 22.374 4.925 ( 11.087 0.000 7.357) 13.306 5.005 ( 14.382 0.000 4.104) 14.956 5.216 ( 11.402 0.000 0.006) 11.402 5.359 ( 6.058 0.000 -2.176) 6.437 5.676 ( 18.035 0.000 -12.429) 21.903 5.788 ( -10.018 0.000 -2.790) 10.400 5.834 ( -10.503 0.000 -0.422) 10.512 6.489 ( 8.216 0.000 3.800) 9.053 6.775 ( 15.388 0.000 -13.600) 20.536 6.777 ( 14.678 0.000 8.900) 17.165 7.088 ( -14.110 0.000 -15.104) 20.669 7.248 ( 13.358 0.000 -9.933) 16.647 7.333 ( -7.826 0.000 2.958) 8.366 7.920 ( 20.298 0.000 5.334) 20.987 7.972 ( -2.495 0.000 -4.376) 5.038 8.042 ( 5.091 0.000 -8.138) 9.599 8.386 ( 0.859 0.000 12.748) 12.777 8.491 ( -7.391 0.000 2.388) 7.767 8.758 ( -4.424 0.000 9.581) 10.553 8.932 ( -6.326 0.000 0.039) 6.326 9.098 ( 4.398 0.000 7.458) 8.658 9.359 ( -27.959 0.000 -8.577) 29.245 9.704 ( 4.544 0.000 -9.801) 10.803 9.927 ( 15.416 0.000 8.003) 17.370 10.459 ( -18.004 0.000 -9.838) 20.517 10.670 ( 16.990 0.000 -1.216) 17.033 11.265 ( -16.913 0.000 0.449) 16.919 11.482 ( -6.615 0.000 -8.203) 10.537 12.101 ( 10.811 0.000 11.277) 15.622 12.197 ( 12.509 0.000 18.227) 22.106 12.964 ( -1.967 0.000 9.947) 10.140 13.111 ( -11.288 0.000 -1.146) 11.346 14.293 ( 6.577 0.000 1.236) 6.693 14.601 ( -0.830 0.000 -6.220) 6.275 14.816 ( 9.935 0.000 -12.952) 16.324 15.286 ( 10.722 0.000 -14.158) 17.760 15.507 ( 18.656 0.000 14.937) 23.899 15.699 ( -12.241 0.000 -16.145) 20.261 16.032 ( -12.371 0.000 -12.698) 17.728 16.286 ( -4.591 0.000 6.881) 8.272 21.389 ( 9.374 0.000 4.306) 10.316 21.958 ( 18.924 0.000 4.578) 19.470 22.060 ( -12.009 0.000 -6.480) 13.646 23.002 ( -12.025 0.000 -2.830) 12.353 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 18.553 0.000 -7.822) 20.134 2.573 ( 18.407 0.000 2.108) 18.528 2.665 ( -12.681 0.000 -7.128) 14.547 2.743 ( 0.768 0.000 -7.246) 7.286 2.774 ( 0.316 0.000 -3.562) 3.576 2.824 ( -4.170 0.000 -1.790) 4.538 2.865 ( -3.178 0.000 2.624) 4.121 3.029 ( -11.195 0.000 -1.285) 11.268 3.196 ( -0.066 0.000 7.892) 7.892 3.268 ( -5.609 0.000 9.284) 10.846 3.712 ( 5.202 0.000 0.936) 5.285 3.817 ( -5.947 0.000 3.938) 7.133 4.038 ( 3.771 0.000 -0.554) 3.812 4.111 ( -3.037 0.000 -1.067) 3.219 4.961 ( 28.672 0.000 -0.328) 28.673 5.026 ( 9.730 0.000 -0.996) 9.781 5.079 ( 3.683 0.000 4.904) 6.133 5.254 ( 9.143 0.000 2.305) 9.429 5.391 ( 3.068 0.000 -3.094) 4.357 5.447 ( -0.117 0.000 2.159) 2.162 5.499 ( -12.457 0.000 -5.759) 13.724 5.636 ( -10.403 0.000 0.722) 10.428 6.050 ( 21.635 0.000 -24.251) 32.499 6.451 ( -16.221 0.000 -20.093) 25.823 6.900 ( 2.761 0.000 -3.828) 4.720 6.964 ( -0.005 0.000 3.094) 3.094 6.980 ( 8.503 0.000 -4.624) 9.679 7.154 ( -9.808 0.000 0.196) 9.809 7.627 ( 23.290 0.000 -16.736) 28.679 8.007 ( -12.725 0.000 -14.505) 19.295 8.023 ( 9.060 0.000 1.836) 9.244 8.258 ( -12.406 0.000 7.578) 14.538 8.308 ( 16.489 0.000 2.646) 16.700 8.420 ( 4.064 0.000 4.816) 6.301 8.693 ( -3.604 0.000 7.893) 8.677 8.846 ( -22.220 0.000 -2.562) 22.367 8.924 ( 5.373 0.000 12.065) 13.208 9.063 ( -6.887 0.000 15.955) 17.378 9.839 ( 10.088 0.000 -7.629) 12.648 10.105 ( -17.332 0.000 -7.861) 19.032 10.371 ( 27.422 0.000 3.609) 27.659 10.873 ( -23.951 0.000 1.966) 24.032 10.997 ( 16.416 0.000 -1.935) 16.530 11.283 ( -13.222 0.000 -4.074) 13.836 12.323 ( 10.235 0.000 9.067) 13.674 12.389 ( 4.972 0.000 13.719) 14.592 12.901 ( -3.418 0.000 7.405) 8.156 12.922 ( -6.680 0.000 2.643) 7.184 14.417 ( 6.289 0.000 -0.018) 6.289 14.529 ( -5.300 0.000 -1.569) 5.527 15.080 ( 16.004 0.000 -19.734) 25.408 15.393 ( -16.130 0.000 -19.438) 25.259 15.515 ( 13.143 0.000 -15.764) 20.525 15.777 ( -13.950 0.000 -15.376) 20.761 15.882 ( 16.520 0.000 11.751) 20.273 16.143 ( -10.563 0.000 9.081) 13.930 21.590 ( 11.517 0.000 -0.840) 11.548 21.822 ( -12.596 0.000 -4.769) 13.469 22.343 ( 20.652 0.000 1.615) 20.715 22.716 ( -17.720 0.000 -1.237) 17.763 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 25.288 20.714) 32.689 1.090 ( 0.000 25.981 24.297) 35.571 1.949 ( 0.000 50.967 40.195) 64.910 2.797 ( 0.000 -2.497 1.759) 3.054 2.851 ( 0.000 -5.948 5.944) 8.409 3.008 ( 0.000 -6.346 5.735) 8.553 3.052 ( 0.000 -2.511 -3.044) 3.946 3.120 ( 0.000 -5.270 -0.748) 5.323 3.268 ( 0.000 -9.131 -14.192) 16.875 3.681 ( 0.000 3.940 -16.324) 16.793 3.683 ( 0.000 10.121 -4.834) 11.216 3.766 ( 0.000 -2.078 -1.481) 2.552 4.019 ( 0.000 -3.628 -7.217) 8.077 4.228 ( 0.000 11.056 -3.010) 11.458 4.239 ( 0.000 -4.409 4.401) 6.229 4.364 ( 0.000 11.626 -8.091) 14.165 4.519 ( 0.000 -5.735 -1.854) 6.027 4.648 ( 0.000 7.464 12.264) 14.357 4.693 ( 0.000 8.210 12.693) 15.117 4.880 ( 0.000 24.618 9.122) 26.253 5.122 ( 0.000 -1.712 -9.421) 9.575 5.725 ( 0.000 -3.258 6.086) 6.903 6.015 ( 0.000 -9.063 -0.729) 9.092 6.132 ( 0.000 1.819 12.320) 12.454 6.328 ( 0.000 10.044 25.310) 27.230 6.339 ( 0.000 6.831 17.745) 19.015 6.923 ( 0.000 -4.465 -4.693) 6.477 7.157 ( 0.000 0.127 -17.040) 17.040 7.339 ( 0.000 -8.732 6.660) 10.982 7.453 ( 0.000 9.297 16.956) 19.337 7.744 ( 0.000 -3.078 3.405) 4.590 7.964 ( 0.000 0.836 -6.162) 6.219 8.240 ( 0.000 -10.532 -5.327) 11.802 8.497 ( 0.000 -3.130 7.214) 7.864 8.776 ( 0.000 5.832 1.598) 6.047 9.272 ( 0.000 -0.965 -9.787) 9.834 9.454 ( 0.000 -6.180 1.480) 6.354 9.545 ( 0.000 -6.422 3.460) 7.295 9.562 ( 0.000 -1.014 -3.209) 3.365 9.615 ( 0.000 -2.798 1.517) 3.183 10.601 ( 0.000 5.105 -11.356) 12.451 11.067 ( 0.000 1.507 -15.972) 16.043 11.287 ( 0.000 -1.184 -5.026) 5.163 11.694 ( 0.000 -2.142 -6.791) 7.120 12.032 ( 0.000 0.958 11.097) 11.139 12.313 ( 0.000 -4.707 21.257) 21.772 12.819 ( 0.000 -6.330 7.689) 9.959 13.392 ( 0.000 -10.289 -1.211) 10.360 14.263 ( 0.000 19.762 4.224) 20.208 14.324 ( 0.000 3.213 5.056) 5.991 14.646 ( 0.000 -2.103 5.413) 5.807 14.822 ( 0.000 3.354 10.144) 10.684 15.020 ( 0.000 7.255 -4.478) 8.526 16.167 ( 0.000 -8.953 0.271) 8.957 16.184 ( 0.000 1.534 -4.356) 4.618 16.384 ( 0.000 -1.356 -4.691) 4.882 21.035 ( 0.000 1.617 -0.035) 1.617 21.362 ( 0.000 -2.942 6.088) 6.762 22.485 ( 0.000 2.324 -4.673) 5.219 23.189 ( 0.000 -8.279 -2.292) 8.591 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 19.233 19.401 15.426) 31.373 1.339 ( 19.239 21.946 17.582) 34.072 2.263 ( 31.262 39.617 30.280) 58.853 2.781 ( -2.657 -1.091 -0.064) 2.873 2.910 ( 4.926 -4.861 5.080) 8.585 2.934 ( -6.128 -7.481 2.582) 10.009 3.095 ( 1.116 -5.686 -2.653) 6.373 3.103 ( 1.339 -3.877 0.474) 4.129 3.274 ( -0.428 -8.313 -10.994) 13.790 3.553 ( -8.774 4.683 -7.317) 12.347 3.711 ( -7.431 -3.880 -3.648) 9.143 3.835 ( 10.801 9.304 -2.774) 14.524 3.873 ( -11.816 -1.694 -1.698) 12.057 4.139 ( 1.404 10.384 -2.626) 10.803 4.276 ( 1.547 -7.387 1.162) 7.636 4.393 ( 2.451 10.505 -7.669) 13.235 4.603 ( 8.938 4.061 -0.583) 9.834 4.798 ( 9.271 5.267 8.322) 13.526 4.827 ( 6.403 17.681 6.670) 19.953 4.976 ( 10.896 1.028 7.955) 13.530 5.140 ( 5.873 2.003 -6.194) 8.768 5.768 ( 3.847 -4.768 1.493) 6.306 6.015 ( -0.681 -7.312 1.958) 7.600 6.140 ( 2.199 3.616 4.684) 6.312 6.254 ( 1.144 4.643 22.518) 23.020 6.521 ( 11.460 10.939 16.402) 22.804 7.057 ( 6.560 -0.166 -13.049) 14.606 7.221 ( 5.558 -0.215 -3.266) 6.450 7.357 ( 7.469 2.317 0.371) 7.829 7.542 ( 11.436 6.274 15.847) 20.525 7.711 ( -2.431 -2.624 4.602) 5.829 7.966 ( 0.702 3.088 -8.028) 8.630 8.264 ( -0.165 -8.317 -2.783) 8.772 8.463 ( -2.556 -4.902 6.937) 8.871 8.921 ( 6.983 -7.384 -6.390) 12.005 9.176 ( -9.709 -4.721 -4.102) 11.549 9.301 ( -10.828 1.450 -2.878) 11.297 9.388 ( -1.762 -3.312 -3.060) 4.841 9.684 ( 5.744 -4.844 5.336) 9.216 9.855 ( 14.437 -4.629 0.779) 15.181 10.463 ( -13.266 5.762 -12.001) 18.794 11.018 ( -5.791 2.532 -15.994) 17.198 11.302 ( 1.436 -4.927 -4.754) 6.996 11.667 ( -2.848 -1.454 -7.330) 7.997 12.020 ( -0.816 2.913 12.783) 13.137 12.148 ( -9.561 6.802 24.077) 26.784 12.851 ( 2.845 -6.221 8.387) 10.823 13.348 ( -4.797 -10.286 -1.579) 11.459 14.283 ( 2.729 18.042 2.984) 18.490 14.398 ( 6.781 4.910 0.391) 8.381 14.746 ( 6.201 -3.257 0.538) 7.025 14.897 ( 8.184 2.843 12.562) 15.260 15.041 ( 2.494 5.857 -5.536) 8.437 16.078 ( -6.304 -2.251 -6.804) 9.545 16.236 ( 2.183 -5.175 1.739) 5.879 16.346 ( -4.158 -1.486 -5.844) 7.325 21.072 ( 3.943 -1.373 5.047) 6.550 21.419 ( 5.946 -3.540 6.062) 9.200 22.436 ( -5.083 2.509 -5.146) 7.656 23.166 ( -2.577 -8.443 -2.634) 9.212 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 19.193 13.783 8.544) 25.126 1.711 ( 22.133 10.917 8.053) 25.960 2.682 ( -4.550 -0.609 -0.308) 4.601 2.772 ( -0.760 1.391 5.170) 5.407 2.958 ( 11.884 -1.593 1.491) 12.083 3.007 ( 0.814 -2.938 1.099) 3.241 3.076 ( 10.541 4.821 5.209) 12.708 3.174 ( -1.931 -6.976 -4.719) 8.641 3.232 ( -0.088 -2.956 0.949) 3.106 3.330 ( -9.918 3.533 -5.056) 11.680 3.502 ( -9.054 2.697 -0.928) 9.493 3.750 ( -1.552 -9.330 0.317) 9.464 4.033 ( 4.117 2.477 1.556) 5.050 4.305 ( 11.509 7.128 -0.816) 13.562 4.321 ( 9.110 5.066 -2.614) 10.747 4.455 ( 5.022 11.134 -7.667) 14.421 4.819 ( 11.954 3.889 3.350) 13.009 4.913 ( 6.701 21.543 6.525) 23.486 5.008 ( 11.935 2.169 3.513) 12.629 5.127 ( 7.548 -3.829 -8.115) 11.726 5.434 ( 19.170 2.308 3.692) 19.658 5.816 ( -0.237 -6.440 -2.578) 6.941 5.977 ( -3.230 -1.473 2.987) 4.639 6.243 ( 8.277 0.974 -4.733) 9.584 6.389 ( 12.571 0.472 19.053) 22.831 6.755 ( 11.687 9.063 8.156) 16.889 7.141 ( 1.509 -1.539 -11.915) 12.108 7.299 ( 6.056 12.314 -2.934) 14.033 7.458 ( -1.414 4.321 -0.210) 4.551 7.687 ( 4.889 0.965 2.605) 5.623 7.921 ( 14.683 -0.610 2.088) 14.843 7.977 ( -0.429 1.008 -9.029) 9.095 8.266 ( 4.851 0.073 9.297) 10.487 8.453 ( 2.745 -7.000 4.582) 8.805 8.863 ( -10.312 -5.374 -1.407) 11.713 9.025 ( -2.218 -3.694 -2.712) 5.091 9.133 ( -7.955 3.026 -3.363) 9.152 9.429 ( 3.798 -10.330 -2.978) 11.402 9.759 ( 2.707 -3.314 9.162) 10.112 10.005 ( -10.678 7.858 -9.455) 16.284 10.270 ( 6.471 -5.548 -4.428) 9.605 10.832 ( -13.500 4.188 -13.220) 19.353 11.309 ( -2.362 -11.235 -4.408) 12.298 11.576 ( -6.781 -1.841 -8.840) 11.292 12.042 ( 3.899 6.083 13.202) 15.050 12.090 ( 3.470 9.050 21.498) 23.582 12.903 ( 1.915 -5.934 9.633) 11.475 13.216 ( -8.706 -9.259 -1.234) 12.769 14.363 ( 5.245 17.705 1.817) 18.555 14.554 ( 9.087 4.672 -9.875) 14.210 14.810 ( 1.040 2.936 -1.275) 3.366 15.108 ( 8.878 1.096 -4.533) 10.028 15.158 ( 14.331 1.618 11.404) 18.386 15.926 ( -9.718 -0.381 -12.234) 15.629 16.221 ( -8.642 -1.578 -8.711) 12.372 16.256 ( -0.405 -6.557 4.425) 7.921 21.184 ( 7.705 -3.035 7.347) 11.070 21.592 ( 12.303 -5.096 5.779) 14.517 22.296 ( -9.330 2.879 -6.059) 11.491 23.082 ( -6.532 -8.777 -3.222) 11.406 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 16.508 5.655 -0.334) 17.453 2.126 ( 19.664 1.226 3.403) 19.994 2.649 ( 2.073 -3.521 -1.292) 4.286 2.726 ( -1.455 -3.528 -0.860) 3.912 2.837 ( -11.170 -3.911 -1.941) 11.993 2.962 ( -7.540 -5.710 1.826) 9.632 3.049 ( -6.351 -3.913 -5.107) 9.040 3.091 ( -3.633 2.755 -2.207) 5.066 3.200 ( -8.026 -0.486 -4.152) 9.049 3.368 ( -1.197 2.702 3.948) 4.932 3.444 ( 1.546 -13.539 2.849) 13.921 3.752 ( -4.263 -9.714 5.405) 11.906 4.217 ( 18.238 13.444 0.950) 22.678 4.421 ( 1.024 25.212 -0.563) 25.239 4.552 ( 17.991 7.557 -0.401) 19.518 4.743 ( 20.408 2.194 -7.175) 21.743 4.990 ( 6.422 2.541 10.326) 12.423 5.112 ( 12.383 11.989 -0.906) 17.259 5.254 ( 12.617 4.680 -0.740) 13.477 5.302 ( 10.100 -1.823 -3.763) 10.932 5.752 ( -5.593 -3.271 -2.374) 6.901 5.776 ( 16.169 5.197 -8.564) 19.021 5.874 ( -7.837 5.027 2.118) 9.548 6.425 ( 9.829 -2.578 -8.112) 13.002 6.700 ( 17.758 -2.065 12.810) 21.994 6.900 ( 1.335 3.951 -5.188) 6.657 7.050 ( -8.907 -3.293 -11.690) 15.061 7.323 ( -8.847 -0.611 -0.183) 8.870 7.510 ( 12.859 21.274 -8.715) 26.342 7.870 ( 11.944 -4.162 4.622) 13.466 7.924 ( -2.857 -1.958 -4.207) 5.449 8.052 ( 4.435 -0.424 -6.703) 8.049 8.314 ( -3.522 -5.874 4.865) 8.401 8.558 ( 1.238 5.625 8.295) 10.098 8.698 ( -3.101 -3.988 8.350) 9.759 9.003 ( -4.021 4.850 2.939) 6.952 9.098 ( 4.323 0.117 7.388) 8.560 9.435 ( -8.636 -0.239 -5.682) 10.341 9.697 ( -6.284 5.840 -13.959) 16.385 9.896 ( 13.525 -3.218 9.460) 16.816 10.488 ( -10.090 0.589 -9.069) 13.580 10.582 ( 8.425 -5.876 -2.853) 10.661 11.157 ( -13.755 -10.181 -0.656) 17.126 11.416 ( -10.007 -6.387 -8.614) 14.667 12.163 ( 8.815 5.914 11.247) 15.465 12.243 ( 10.326 4.619 16.471) 19.981 12.907 ( -1.656 -5.443 9.938) 11.451 13.031 ( -10.101 -7.380 0.056) 12.510 14.469 ( 5.630 16.507 1.144) 17.479 14.697 ( 2.532 8.003 -8.189) 11.727 14.859 ( 8.029 4.149 -10.344) 13.736 15.277 ( 10.248 -0.637 -13.084) 16.632 15.497 ( 17.676 -1.109 14.347) 22.793 15.709 ( -12.231 0.718 -16.204) 20.314 16.018 ( -12.339 -1.383 -12.595) 17.686 16.215 ( -4.298 -6.893 6.652) 10.499 21.362 ( 10.787 -1.728 4.138) 11.682 21.885 ( 17.903 -6.819 4.073) 19.586 22.089 ( -12.059 2.946 -6.145) 13.851 22.906 ( -12.038 -8.979 -3.092) 15.333 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 14.410 -2.285 -4.105) 15.157 2.432 ( 10.628 -7.107 -0.128) 12.786 2.618 ( -8.367 -4.347 -6.534) 11.471 2.686 ( -5.705 -5.236 -5.029) 9.233 2.757 ( 6.401 -1.112 -1.411) 6.648 2.850 ( -3.092 -0.384 1.557) 3.483 2.923 ( -3.007 0.311 -4.348) 5.296 3.000 ( -7.990 1.279 -0.459) 8.104 3.110 ( 0.858 -5.518 0.337) 5.595 3.206 ( -9.431 -8.681 4.775) 13.679 3.540 ( 5.610 -8.535 5.513) 11.606 3.646 ( -5.628 -7.390 6.155) 11.143 4.404 ( 3.328 18.646 -3.388) 19.241 4.431 ( -0.061 23.327 -1.135) 23.355 4.939 ( 13.869 -1.292 -1.317) 13.992 5.058 ( -0.307 -1.863 5.523) 5.837 5.155 ( 23.842 12.152 2.459) 26.873 5.336 ( 9.535 8.324 0.472) 12.666 5.422 ( 3.380 2.857 -2.697) 5.182 5.483 ( 8.222 2.090 0.294) 8.488 5.586 ( -12.886 9.017 -0.410) 15.733 5.665 ( -11.402 5.238 1.676) 12.659 6.119 ( 19.636 5.305 -23.601) 31.156 6.481 ( -12.396 2.177 -21.217) 24.669 6.785 ( 2.184 -6.223 -14.474) 15.906 6.907 ( -2.516 -3.783 -4.513) 6.404 7.049 ( 6.796 2.394 3.002) 7.806 7.163 ( -6.067 -0.293 2.958) 6.756 7.749 ( 11.985 7.328 -5.658) 15.145 7.952 ( 2.297 -0.547 -1.940) 3.056 8.005 ( -4.751 -8.890 0.704) 10.105 8.058 ( 1.581 -3.266 -0.698) 3.695 8.306 ( 5.441 -3.994 6.952) 9.690 8.448 ( -7.943 -1.694 7.007) 10.727 8.749 ( 6.379 8.268 4.682) 11.444 8.954 ( -10.332 5.814 3.645) 12.403 9.067 ( 2.225 10.558 8.479) 13.722 9.194 ( -9.360 12.284 7.108) 17.001 9.807 ( 12.907 -1.219 -9.164) 15.876 10.128 ( -19.556 3.388 -8.682) 21.663 10.317 ( 26.598 -5.642 4.054) 27.491 10.800 ( -21.853 -7.667 1.999) 23.245 10.894 ( 15.678 -9.713 -3.199) 18.719 11.187 ( -13.939 -9.108 -5.520) 17.542 12.345 ( 8.586 2.340 9.507) 13.022 12.403 ( 4.057 1.599 13.019) 13.730 12.849 ( -3.295 -4.998 6.506) 8.841 12.867 ( -5.564 -4.973 4.811) 8.879 14.574 ( 5.196 14.598 0.005) 15.495 14.663 ( -3.954 12.205 -1.625) 12.932 15.107 ( 15.545 2.469 -19.222) 24.844 15.411 ( -15.615 1.630 -19.102) 24.725 15.502 ( 12.970 -1.191 -15.251) 20.056 15.762 ( -13.749 -1.391 -14.969) 20.373 15.845 ( 14.963 -3.742 10.913) 18.894 16.083 ( -9.670 -5.884 8.692) 14.272 21.589 ( 12.799 0.456 -0.720) 12.827 21.841 ( -13.311 2.155 -4.573) 14.239 22.257 ( 20.057 -8.052 1.329) 21.653 22.622 ( -17.467 -8.786 -1.515) 19.610 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 27.878 7.804) 28.950 1.656 ( 0.000 27.625 12.782) 30.439 2.597 ( 0.000 -15.249 5.461) 16.198 2.612 ( 0.000 -17.440 2.725) 17.652 2.881 ( 0.000 -0.207 -2.524) 2.532 2.973 ( 0.000 33.321 13.179) 35.832 2.983 ( 0.000 -3.988 -3.565) 5.350 3.180 ( 0.000 0.357 -8.970) 8.977 3.206 ( 0.000 15.287 5.339) 16.192 3.667 ( 0.000 -1.543 1.006) 1.842 3.670 ( 0.000 -5.414 -5.924) 8.025 3.878 ( 0.000 6.552 0.589) 6.578 3.962 ( 0.000 -1.042 -13.678) 13.717 4.162 ( 0.000 -2.840 0.836) 2.961 4.319 ( 0.000 -3.287 -16.917) 17.234 4.459 ( 0.000 -5.441 7.277) 9.086 4.567 ( 0.000 9.045 0.481) 9.058 4.642 ( 0.000 0.238 1.762) 1.778 4.988 ( 0.000 18.238 5.839) 19.150 5.111 ( 0.000 1.708 -0.508) 1.782 5.456 ( 0.000 -0.027 6.890) 6.890 5.752 ( 0.000 -16.186 0.024) 16.186 5.813 ( 0.000 31.871 16.891) 36.070 6.250 ( 0.000 9.983 2.495) 10.290 6.387 ( 0.000 -1.452 30.581) 30.615 6.586 ( 0.000 16.223 19.156) 25.102 6.850 ( 0.000 -4.288 -12.750) 13.451 7.080 ( 0.000 -6.646 -4.274) 7.902 7.143 ( 0.000 -8.700 7.672) 11.599 7.572 ( 0.000 -15.814 5.124) 16.623 7.721 ( 0.000 16.040 14.988) 21.953 7.992 ( 0.000 1.892 -6.871) 7.127 8.072 ( 0.000 -5.258 -7.568) 9.215 8.358 ( 0.000 -10.025 9.527) 13.830 8.923 ( 0.000 7.549 -4.459) 8.767 9.179 ( 0.000 -8.344 0.851) 8.387 9.292 ( 0.000 -13.401 8.477) 15.858 9.317 ( 0.000 -5.789 -5.609) 8.061 9.550 ( 0.000 -0.361 -2.678) 2.702 9.571 ( 0.000 -1.616 1.294) 2.070 10.745 ( 0.000 8.461 -11.495) 14.273 11.054 ( 0.000 -3.943 -12.100) 12.726 11.309 ( 0.000 4.388 -8.904) 9.927 11.596 ( 0.000 -6.689 -9.707) 11.789 12.156 ( 0.000 10.239 10.583) 14.725 12.418 ( 0.000 11.952 12.574) 17.348 12.640 ( 0.000 -10.816 8.443) 13.721 13.105 ( 0.000 -17.081 1.305) 17.131 14.405 ( 0.000 4.533 5.235) 6.925 14.586 ( 0.000 -3.674 5.281) 6.433 14.776 ( 0.000 26.505 4.468) 26.879 14.921 ( 0.000 8.142 8.032) 11.437 15.061 ( 0.000 -1.606 3.775) 4.102 15.888 ( 0.000 -18.701 0.659) 18.713 16.227 ( 0.000 2.622 -4.361) 5.089 16.343 ( 0.000 -2.518 -4.493) 5.150 21.091 ( 0.000 3.750 -1.332) 3.979 21.282 ( 0.000 -4.706 3.489) 5.858 22.567 ( 0.000 5.984 -4.162) 7.290 22.971 ( 0.000 -12.097 -2.831) 12.424 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 10.156 23.638 5.694) 26.350 1.833 ( 13.720 24.820 10.961) 30.404 2.598 ( -0.043 -16.065 0.524) 16.074 2.698 ( 5.492 -15.187 6.988) 17.597 2.867 ( -1.380 0.357 -2.143) 2.574 2.971 ( 3.298 3.794 0.302) 5.036 3.016 ( -1.825 8.384 0.510) 8.596 3.126 ( -2.913 2.246 -6.494) 7.464 3.259 ( 5.234 16.363 3.917) 17.621 3.596 ( -5.841 -5.908 -2.637) 8.717 3.618 ( -4.590 3.594 0.000) 5.829 3.800 ( -11.533 -0.562 3.667) 12.115 4.020 ( 7.157 5.019 -7.952) 11.817 4.185 ( 4.012 -0.708 -0.599) 4.118 4.318 ( 2.337 4.281 -12.734) 13.636 4.467 ( 6.903 -0.326 0.115) 6.911 4.665 ( 6.185 3.554 -2.809) 7.666 4.799 ( 12.899 -5.560 5.180) 14.971 5.046 ( 4.947 14.583 4.353) 16.002 5.156 ( 6.570 4.681 2.628) 8.484 5.488 ( 2.519 4.765 5.045) 7.382 5.662 ( -4.428 -3.236 3.842) 6.697 5.926 ( 7.075 13.071 11.171) 18.593 6.263 ( 3.178 8.495 3.008) 9.556 6.330 ( -2.563 2.063 21.260) 21.513 6.681 ( 8.010 10.343 16.849) 21.331 6.964 ( 4.800 -9.902 -13.972) 17.785 7.244 ( 18.538 1.855 1.740) 18.712 7.360 ( 19.667 -1.908 3.278) 20.029 7.542 ( -2.304 -11.012 8.053) 13.835 7.800 ( 7.533 12.745 10.303) 18.037 8.008 ( 1.600 0.558 -9.452) 9.603 8.127 ( 5.505 -3.432 -4.513) 7.902 8.316 ( -3.983 -9.003 8.624) 13.087 8.898 ( -3.031 3.781 -6.021) 7.728 9.072 ( -9.043 -4.186 -2.530) 10.281 9.177 ( -7.187 -13.079 4.180) 15.498 9.303 ( -2.635 -4.590 -4.881) 7.200 9.587 ( 5.298 -2.008 5.526) 7.915 9.731 ( 10.777 -6.516 2.310) 12.804 10.633 ( -11.036 10.218 -11.907) 19.183 11.020 ( -3.693 -4.872 -12.957) 14.327 11.257 ( -5.394 3.139 -7.627) 9.855 11.566 ( -3.446 -7.538 -9.892) 12.905 12.177 ( 2.157 11.189 10.787) 15.691 12.365 ( -3.887 14.000 13.314) 19.707 12.675 ( 3.130 -10.588 9.114) 14.317 13.065 ( -3.998 -16.668 1.372) 17.195 14.475 ( 6.860 5.138 0.235) 8.574 14.672 ( 7.501 -4.069 1.321) 8.635 14.807 ( 2.805 27.740 3.700) 28.126 14.976 ( 6.237 5.371 10.374) 13.243 15.092 ( 3.097 -0.387 2.971) 4.309 15.880 ( -1.017 -17.392 -0.751) 17.438 16.198 ( -2.980 1.411 -3.984) 5.171 16.303 ( -4.215 -2.570 -5.704) 7.543 21.096 ( 1.322 3.441 1.904) 4.149 21.320 ( 4.133 -5.872 3.956) 8.198 22.523 ( -4.561 6.322 -4.630) 9.067 22.943 ( -3.062 -12.423 -3.217) 13.193 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 13.854 15.387 2.614) 20.869 2.063 ( 9.783 19.962 8.463) 23.787 2.579 ( -1.564 -11.293 -1.916) 11.560 2.679 ( -6.270 -5.041 3.223) 8.666 2.874 ( 1.509 -4.199 2.561) 5.144 2.940 ( -5.049 -3.987 -1.795) 6.679 3.022 ( -7.304 -4.766 -5.735) 10.438 3.060 ( 2.277 -6.483 -1.170) 6.970 3.320 ( -1.872 3.326 -5.750) 6.902 3.450 ( -10.138 3.191 -3.886) 11.316 3.553 ( -10.876 -0.997 -0.122) 10.922 3.589 ( -0.192 -2.187 5.467) 5.892 4.203 ( 17.502 19.276 8.614) 27.424 4.400 ( 14.979 5.276 -7.076) 17.386 4.448 ( 11.225 3.303 -13.657) 17.984 4.655 ( 10.781 6.985 1.365) 12.918 4.817 ( 9.776 -1.190 1.627) 9.982 5.041 ( 11.923 -4.558 -2.043) 12.927 5.178 ( 9.030 12.138 2.452) 15.326 5.385 ( 15.841 3.450 4.182) 16.743 5.501 ( -0.543 9.958 3.878) 10.700 5.639 ( 2.031 -10.425 0.074) 10.621 6.058 ( 6.508 14.412 9.351) 18.371 6.353 ( 4.694 7.587 -0.394) 8.931 6.388 ( 10.009 1.367 13.237) 16.651 6.849 ( 8.565 4.891 7.765) 12.553 7.004 ( -0.208 -9.414 -4.590) 10.475 7.451 ( -4.715 -6.096 8.427) 11.419 7.620 ( 15.449 10.554 -5.393) 19.471 7.713 ( 10.027 0.693 -7.257) 12.397 7.976 ( 7.035 6.186 4.472) 10.380 8.035 ( 0.905 4.858 -7.305) 8.819 8.237 ( 0.126 -3.050 7.493) 8.091 8.337 ( 16.593 -3.337 2.572) 17.120 8.779 ( -9.397 -1.867 -2.747) 9.966 8.958 ( 0.926 -0.941 -3.919) 4.136 9.078 ( -3.974 -11.866 4.106) 13.170 9.249 ( -1.450 -3.876 -3.915) 5.697 9.679 ( 4.033 -2.471 10.739) 11.734 9.961 ( 13.407 -11.200 0.680) 17.482 10.361 ( -16.323 13.779 -12.089) 24.545 10.901 ( -9.304 -2.682 -13.814) 16.870 11.111 ( -9.540 -2.885 -4.551) 10.956 11.450 ( -8.931 -9.258 -9.682) 16.100 12.234 ( 3.862 11.834 10.731) 16.435 12.329 ( 0.789 13.709 13.634) 19.351 12.734 ( 2.455 -10.183 10.051) 14.517 12.963 ( -6.367 -14.750 1.955) 16.185 14.642 ( 10.211 5.967 -9.239) 15.008 14.820 ( 7.187 0.128 -3.674) 8.072 14.867 ( 3.367 25.086 1.530) 25.357 15.151 ( 8.257 2.507 5.037) 9.992 15.189 ( 10.242 1.155 8.233) 13.192 15.832 ( -4.539 -12.231 -5.968) 14.346 16.122 ( -4.666 -3.135 -1.558) 5.833 16.181 ( -8.504 -2.485 -8.602) 12.349 21.173 ( 7.168 2.562 5.000) 9.107 21.451 ( 9.915 -8.262 4.511) 13.672 22.395 ( -8.805 7.037 -5.510) 12.546 22.848 ( -7.076 -13.126 -3.891) 15.411 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 7.687 10.529 1.632) 13.139 2.223 ( 8.770 8.697 3.491) 12.835 2.534 ( -1.992 -6.655 -1.233) 7.055 2.624 ( 0.230 -6.561 -2.059) 6.880 2.755 ( -9.481 -2.970 -1.373) 10.030 2.864 ( -5.458 -3.380 1.233) 6.537 2.915 ( -1.728 -4.284 -0.836) 4.694 3.053 ( -4.395 -14.262 1.992) 15.056 3.221 ( -8.064 0.044 -5.330) 9.666 3.286 ( -8.427 6.008 -1.906) 10.524 3.377 ( -3.262 -2.353 -1.461) 4.279 3.549 ( -2.984 -9.153 2.946) 10.068 4.550 ( 9.415 12.007 -5.656) 16.273 4.678 ( 16.590 4.457 -7.013) 18.555 4.721 ( 9.345 6.064 -3.412) 11.651 4.899 ( 15.857 7.523 5.339) 18.345 5.019 ( 15.647 7.556 6.800) 18.659 5.271 ( 12.352 3.530 -5.007) 13.788 5.369 ( 10.259 6.997 1.277) 12.484 5.469 ( 1.405 7.923 -1.731) 8.231 5.676 ( 2.467 -3.542 -0.338) 4.330 5.784 ( 20.268 -4.668 -5.483) 21.509 6.148 ( 1.893 22.855 7.775) 24.216 6.465 ( 6.252 6.742 -11.000) 14.337 6.651 ( 16.144 -3.262 12.593) 20.733 6.923 ( -8.159 -7.926 -10.464) 15.456 6.976 ( 2.762 3.620 -1.562) 4.814 7.293 ( -11.098 -2.933 0.960) 11.519 7.769 ( 1.593 -4.640 -1.463) 5.120 7.795 ( 0.062 0.634 -2.811) 2.882 8.016 ( 1.845 2.056 1.594) 3.189 8.084 ( 2.246 12.025 -2.880) 12.568 8.246 ( 0.374 3.182 3.112) 4.466 8.599 ( -7.008 -2.281 3.478) 8.150 8.688 ( 12.091 2.513 6.490) 13.951 8.980 ( -3.380 -10.416 8.473) 13.846 9.112 ( 7.886 2.553 6.023) 10.246 9.362 ( 16.317 -1.239 -9.225) 18.785 9.798 ( 10.992 -2.040 8.272) 13.907 10.013 ( -15.744 18.803 -10.098) 26.522 10.269 ( 14.954 -16.060 -2.663) 22.105 10.653 ( -16.332 4.656 -11.760) 20.657 10.895 ( -13.504 -11.753 -1.864) 17.999 11.230 ( -13.762 -11.425 -8.873) 19.966 12.325 ( 5.401 9.452 10.380) 15.042 12.386 ( 4.551 9.144 12.469) 16.118 12.753 ( -0.748 -9.324 9.484) 13.321 12.837 ( -6.454 -10.958 3.898) 13.301 14.849 ( 10.457 7.626 -13.124) 18.433 14.914 ( 2.993 22.346 0.095) 22.546 14.960 ( 6.716 5.268 -6.788) 10.906 15.284 ( 8.104 2.181 -6.230) 10.452 15.456 ( 14.282 -3.075 11.869) 18.824 15.693 ( -9.812 -4.592 -13.310) 17.161 15.979 ( -11.974 -2.320 -11.601) 16.832 16.031 ( -5.470 -8.989 2.900) 10.915 21.366 ( 12.655 2.975 3.492) 13.461 21.700 ( 15.983 -10.522 3.364) 19.429 22.191 ( -12.400 7.366 -5.612) 15.476 22.666 ( -12.147 -13.604 -3.827) 18.635 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 4.146 1.254 0.959) 4.436 2.344 ( 1.660 -1.057 0.997) 2.206 2.507 ( 0.294 -7.400 -3.067) 8.015 2.590 ( -4.984 -5.915 -5.096) 9.263 2.701 ( 4.468 -0.945 -0.305) 4.577 2.812 ( -3.422 -2.600 2.102) 4.784 2.856 ( 0.051 -4.863 2.227) 5.349 2.943 ( -6.709 -8.265 3.567) 11.227 3.092 ( -2.237 4.099 -4.895) 6.765 3.136 ( -5.809 6.248 -4.378) 9.588 3.411 ( 3.901 -6.611 1.391) 7.801 3.487 ( -3.683 -8.854 2.456) 9.899 4.681 ( 5.454 8.723 -4.815) 11.359 4.759 ( -2.125 8.929 -1.769) 9.347 4.902 ( 7.334 -2.521 -1.534) 7.906 4.988 ( -1.559 -4.442 3.431) 5.826 5.450 ( 10.974 8.547 -3.059) 14.242 5.509 ( 2.949 5.460 -0.938) 6.276 5.540 ( 6.753 4.179 1.070) 8.013 5.567 ( 15.851 9.899 2.518) 18.858 5.705 ( 7.774 10.344 0.222) 12.941 6.057 ( -12.550 26.746 5.839) 30.115 6.193 ( 20.338 0.707 -19.214) 27.988 6.521 ( -7.909 2.274 -23.299) 24.710 6.711 ( -1.401 -0.994 -16.077) 16.168 6.858 ( -8.491 0.217 -15.694) 17.846 6.997 ( 9.093 -8.619 5.201) 13.565 7.134 ( -4.773 -3.591 4.792) 7.657 7.771 ( 1.647 -2.217 7.121) 7.637 7.824 ( -0.021 -1.721 8.558) 8.729 7.995 ( 0.515 -3.741 3.180) 4.936 8.081 ( -4.243 0.035 4.708) 6.338 8.303 ( 5.662 9.496 4.354) 11.883 8.442 ( -8.415 3.921 7.124) 11.702 8.837 ( 4.993 -4.677 3.217) 7.560 8.917 ( -3.588 -9.942 7.215) 12.797 9.304 ( 13.233 15.986 5.111) 21.373 9.564 ( -8.883 21.323 -3.492) 23.362 9.887 ( 14.068 7.983 -10.987) 19.554 10.141 ( 22.558 -8.970 4.905) 24.767 10.267 ( -19.938 7.519 -10.116) 23.588 10.557 ( -12.189 -13.788 1.702) 18.482 10.629 ( 8.724 -15.584 -5.641) 18.729 10.938 ( -16.444 -14.450 -7.743) 23.220 12.427 ( 4.720 5.647 9.852) 12.297 12.463 ( 1.917 4.438 11.197) 12.196 12.715 ( -1.712 -7.468 6.345) 9.948 12.739 ( -3.552 -7.256 8.157) 11.480 14.955 ( 1.648 20.506 -0.978) 20.595 14.961 ( 1.384 15.306 -3.223) 15.703 15.167 ( 14.084 2.792 -17.455) 22.602 15.440 ( -12.664 0.263 -17.229) 21.384 15.480 ( 10.947 -0.200 -11.917) 16.183 15.718 ( 2.117 -5.458 0.122) 5.855 15.736 ( -4.362 -4.044 -5.155) 7.871 15.909 ( -7.797 -10.587 6.492) 14.664 21.637 ( 15.195 4.852 -0.469) 15.958 21.927 ( -14.399 6.508 -4.026) 16.306 22.041 ( 18.297 -12.135 0.643) 21.965 22.386 ( -16.856 -13.370 -2.259) 21.633 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 -3.319 2.879) 4.394 2.132 ( 0.000 3.319 2.879) 4.394 2.225 ( 0.000 -2.252 7.857) 8.174 2.225 ( 0.000 2.252 7.857) 8.174 2.904 ( 0.000 -3.160 -3.137) 4.452 2.904 ( 0.000 3.160 -3.137) 4.452 3.210 ( 0.000 -0.462 -3.918) 3.945 3.210 ( 0.000 0.462 -3.918) 3.945 3.518 ( 0.000 -7.487 -3.547) 8.284 3.518 ( 0.000 7.487 -3.547) 8.284 3.910 ( 0.000 -10.238 -3.514) 10.824 3.910 ( 0.000 10.238 -3.514) 10.824 4.030 ( 0.000 -13.841 8.895) 16.453 4.030 ( 0.000 13.841 8.895) 16.453 4.266 ( 0.000 -2.250 -4.321) 4.872 4.266 ( 0.000 2.250 -4.321) 4.872 4.672 ( 0.000 -0.310 -6.658) 6.665 4.672 ( 0.000 0.310 -6.658) 6.665 5.246 ( 0.000 -11.373 9.591) 14.877 5.246 ( 0.000 11.373 9.591) 14.877 5.381 ( 0.000 -19.466 2.651) 19.645 5.381 ( 0.000 19.466 2.651) 19.645 6.290 ( 0.000 -8.988 30.566) 31.860 6.290 ( 0.000 8.988 30.566) 31.860 6.618 ( 0.000 -20.258 -14.409) 24.860 6.618 ( 0.000 20.258 -14.409) 24.860 6.988 ( 0.000 -6.874 5.051) 8.531 6.988 ( 0.000 6.874 5.051) 8.531 7.101 ( 0.000 -20.714 10.464) 23.207 7.101 ( 0.000 20.714 10.464) 23.207 7.996 ( 0.000 -4.905 -2.991) 5.745 7.996 ( 0.000 4.905 -2.991) 5.745 8.100 ( 0.000 -13.360 7.912) 15.527 8.100 ( 0.000 13.360 7.912) 15.527 9.029 ( 0.000 -4.381 6.434) 7.784 9.029 ( 0.000 4.381 6.434) 7.784 9.204 ( 0.000 -4.414 -5.856) 7.333 9.204 ( 0.000 4.414 -5.856) 7.333 9.549 ( 0.000 -0.440 -1.301) 1.373 9.549 ( 0.000 0.440 -1.301) 1.373 10.921 ( 0.000 -8.257 -10.767) 13.569 10.921 ( 0.000 8.257 -10.767) 13.569 11.443 ( 0.000 -7.766 -10.504) 13.063 11.443 ( 0.000 7.766 -10.504) 13.063 12.397 ( 0.000 -12.536 9.343) 15.635 12.397 ( 0.000 12.536 9.343) 15.635 12.736 ( 0.000 -18.037 5.901) 18.978 12.736 ( 0.000 18.037 5.901) 18.978 14.500 ( 0.000 -4.636 5.248) 7.003 14.500 ( 0.000 4.636 5.248) 7.003 14.992 ( 0.000 -4.703 7.698) 9.021 14.992 ( 0.000 4.703 7.698) 9.021 15.409 ( 0.000 -27.556 1.730) 27.610 15.409 ( 0.000 27.556 1.730) 27.610 16.286 ( 0.000 -2.975 -4.397) 5.309 16.286 ( 0.000 2.975 -4.397) 5.309 21.181 ( 0.000 -4.881 0.551) 4.912 21.181 ( 0.000 4.881 0.551) 4.912 22.735 ( 0.000 -10.347 -3.513) 10.927 22.735 ( 0.000 10.347 -3.513) 10.927 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 5.016 -18.471 0.830) 19.158 2.193 ( 5.016 18.471 0.830) 19.158 2.324 ( 8.302 -18.275 8.262) 21.706 2.324 ( 8.302 18.275 8.262) 21.706 2.902 ( -0.066 -3.149 -2.389) 3.953 2.902 ( -0.066 3.149 -2.389) 3.953 3.134 ( -7.396 -2.041 -3.531) 8.446 3.134 ( -7.396 2.041 -3.531) 8.446 3.470 ( -4.166 -5.702 -4.850) 8.567 3.470 ( -4.166 5.702 -4.850) 8.567 3.791 ( -10.313 -3.923 1.118) 11.091 3.791 ( -10.313 3.923 1.118) 11.091 4.164 ( 12.410 -6.128 0.270) 13.843 4.164 ( 12.410 6.128 0.270) 13.843 4.365 ( 10.336 -6.184 -3.188) 12.460 4.365 ( 10.336 6.184 -3.188) 12.460 4.724 ( 4.953 -2.239 -2.903) 6.162 4.724 ( 4.953 2.239 -2.903) 6.162 5.292 ( 5.085 -11.963 7.344) 14.930 5.292 ( 5.085 11.963 7.344) 14.930 5.411 ( 2.527 -16.451 3.566) 17.022 5.411 ( 2.527 16.451 3.566) 17.022 6.247 ( -1.279 -7.279 22.848) 24.013 6.247 ( -1.279 7.279 22.848) 24.013 6.647 ( 2.315 -19.886 -10.093) 22.421 6.647 ( 2.315 19.886 -10.093) 22.421 7.089 ( 4.851 -24.744 10.057) 27.147 7.089 ( 4.851 24.744 10.057) 27.147 7.321 ( 23.409 -1.991 4.234) 23.872 7.321 ( 23.409 1.991 4.234) 23.872 8.017 ( 1.927 -2.621 -1.752) 3.695 8.017 ( 1.927 2.621 -1.752) 3.695 8.125 ( 2.902 -6.950 4.705) 8.881 8.125 ( 2.902 6.950 4.705) 8.881 8.972 ( -6.473 -4.088 4.172) 8.719 8.972 ( -6.473 4.088 4.172) 8.719 9.138 ( -4.106 -8.998 -7.723) 12.548 9.138 ( -4.106 8.998 -7.723) 12.548 9.619 ( 5.663 -4.120 3.459) 7.811 9.619 ( 5.663 4.120 3.459) 7.811 10.849 ( -7.149 -10.331 -10.983) 16.688 10.849 ( -7.149 10.331 -10.983) 16.688 11.394 ( -5.205 -8.581 -10.182) 14.297 11.394 ( -5.205 8.581 -10.182) 14.297 12.428 ( 2.846 -12.511 9.507) 15.969 12.428 ( 2.846 12.511 9.507) 15.969 12.704 ( -2.888 -17.788 6.357) 19.109 12.704 ( -2.888 17.788 6.357) 19.109 14.579 ( 7.472 -4.958 0.994) 9.022 14.579 ( 7.472 4.958 0.994) 9.022 15.044 ( 5.355 -3.671 8.304) 10.541 15.044 ( 5.355 3.671 8.304) 10.541 15.416 ( 0.643 -27.064 1.452) 27.111 15.416 ( 0.643 27.064 1.452) 27.111 16.246 ( -4.123 -2.853 -5.370) 7.346 16.246 ( -4.123 2.853 -5.370) 7.346 21.195 ( 1.988 -5.897 2.006) 6.538 21.195 ( 1.988 5.897 2.006) 6.538 22.699 ( -3.806 -10.750 -3.954) 12.069 22.699 ( -3.806 10.750 -3.954) 12.069 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 5.622 -15.417 -1.000) 16.440 2.297 ( 5.622 15.417 -1.000) 16.440 2.452 ( 3.783 -16.592 8.891) 19.200 2.452 ( 3.783 16.592 8.891) 19.200 2.859 ( -5.251 -2.574 -3.923) 7.042 2.859 ( -5.251 2.574 -3.923) 7.042 2.987 ( -6.659 -0.753 -1.024) 6.779 2.987 ( -6.659 0.753 -1.024) 6.779 3.387 ( -4.594 -4.594 -5.542) 8.539 3.387 ( -4.594 4.594 -5.542) 8.539 3.569 ( -11.425 -2.128 0.970) 11.662 3.569 ( -11.425 2.128 0.970) 11.662 4.448 ( 14.857 -1.428 -12.558) 19.505 4.448 ( 14.857 1.428 -12.558) 19.505 4.634 ( 15.700 -12.162 2.455) 20.011 4.634 ( 15.700 12.162 2.455) 20.011 4.888 ( 14.412 -8.889 3.060) 17.207 4.888 ( 14.412 8.890 3.060) 17.207 5.415 ( 5.346 -10.728 1.150) 12.041 5.415 ( 5.346 10.728 1.150) 12.041 5.471 ( 5.685 -7.373 6.085) 11.123 5.471 ( 5.685 7.373 6.085) 11.123 6.306 ( 7.579 -6.079 14.214) 17.218 6.306 ( 7.579 6.079 14.214) 17.218 6.694 ( 2.367 -16.678 -8.512) 18.873 6.694 ( 2.367 16.678 -8.512) 18.873 7.170 ( 2.801 -19.649 12.130) 23.262 7.170 ( 2.801 19.649 12.130) 23.262 7.714 ( 10.156 -1.283 -7.029) 12.418 7.714 ( 10.156 1.283 -7.029) 12.418 8.070 ( 3.516 -1.971 5.846) 7.101 8.070 ( 3.516 1.971 5.846) 7.101 8.257 ( 13.063 -4.801 -1.932) 14.051 8.257 ( 13.063 4.801 -1.932) 14.051 8.826 ( -6.508 -7.192 2.656) 10.057 8.826 ( -6.508 7.192 2.656) 10.057 9.097 ( 0.457 -10.336 -4.438) 11.258 9.097 ( 0.457 10.336 -4.438) 11.258 9.741 ( 7.442 -8.352 5.831) 12.615 9.741 ( 7.442 8.352 5.831) 12.615 10.669 ( -11.304 -15.115 -10.997) 21.844 10.669 ( -11.304 15.115 -10.997) 21.844 11.241 ( -10.980 -10.321 -9.130) 17.620 11.241 ( -10.980 10.321 -9.130) 17.620 12.485 ( 2.744 -11.323 9.211) 14.852 12.485 ( 2.744 11.323 9.211) 14.852 12.648 ( -2.454 -14.656 7.756) 16.762 12.648 ( -2.454 14.656 7.756) 16.762 14.751 ( 10.052 -4.717 -7.216) 13.243 14.751 ( 10.052 4.717 -7.216) 13.243 15.188 ( 9.152 -0.761 8.291) 12.373 15.188 ( 9.152 0.761 8.291) 12.373 15.427 ( 0.244 -25.313 0.469) 25.318 15.427 ( 0.244 25.313 0.469) 25.318 16.130 ( -8.005 -2.241 -7.543) 11.225 16.130 ( -8.005 2.241 -7.543) 11.225 21.282 ( 7.638 -7.525 3.869) 11.399 21.282 ( 7.638 7.525 3.869) 11.399 22.587 ( -7.949 -11.633 -4.751) 14.868 22.587 ( -7.949 11.633 -4.751) 14.868 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 1.071 -6.823 0.669) 6.939 2.384 ( 1.071 6.823 0.669) 6.939 2.454 ( -0.832 -9.235 2.886) 9.711 2.454 ( -0.832 9.235 2.886) 9.711 2.778 ( -3.959 -6.006 -0.152) 7.195 2.778 ( -3.959 6.006 -0.152) 7.195 2.867 ( -3.740 -0.322 1.420) 4.014 2.867 ( -3.740 0.322 1.420) 4.014 3.284 ( -5.447 -5.090 -5.954) 9.541 3.284 ( -5.447 5.090 -5.954) 9.541 3.405 ( -5.934 -5.717 -0.577) 8.260 3.405 ( -5.934 5.717 -0.577) 8.260 4.671 ( 8.866 -2.553 -8.900) 12.820 4.671 ( 8.866 2.553 -8.900) 12.820 4.862 ( 6.942 -5.371 1.978) 8.997 4.862 ( 6.942 5.371 1.978) 8.997 5.283 ( 22.636 -6.688 -2.061) 23.693 5.283 ( 22.636 6.688 -2.061) 23.693 5.492 ( 5.100 -3.249 0.501) 6.067 5.492 ( 5.100 3.249 0.501) 6.067 5.653 ( 12.821 -3.943 0.412) 13.420 5.653 ( 12.821 3.943 0.412) 13.420 6.509 ( 12.431 -9.740 8.046) 17.724 6.509 ( 12.431 9.740 8.046) 17.724 6.713 ( -1.721 -11.994 -10.102) 15.775 6.713 ( -1.721 11.994 -10.102) 15.775 7.146 ( -6.308 -11.298 3.889) 13.511 7.146 ( -6.308 11.298 3.889) 13.511 7.738 ( -1.260 -2.404 -5.271) 5.928 7.738 ( -1.260 2.404 -5.271) 5.928 8.092 ( -2.046 -4.809 5.947) 7.917 8.092 ( -2.046 4.809 5.947) 7.917 8.498 ( 7.359 -10.473 -0.635) 12.816 8.498 ( 7.359 10.473 -0.635) 12.816 8.748 ( -3.664 -7.472 8.223) 11.699 8.748 ( -3.664 7.472 8.223) 11.699 9.251 ( 17.919 -9.625 -0.631) 20.351 9.251 ( 17.919 9.625 -0.631) 20.351 9.929 ( 12.735 -14.278 1.719) 19.209 9.929 ( 12.735 14.278 1.719) 19.209 10.425 ( -14.145 -19.505 -9.829) 26.022 10.425 ( -14.145 19.505 -9.829) 26.022 10.978 ( -16.314 -12.288 -7.769) 21.851 10.978 ( -16.314 12.288 -7.769) 21.851 12.527 ( 1.742 -8.089 8.210) 11.656 12.527 ( 1.742 8.089 8.210) 11.656 12.614 ( -1.307 -8.543 9.550) 12.879 12.614 ( -1.307 8.543 9.550) 12.879 14.955 ( 11.222 -3.237 -12.675) 17.235 14.955 ( 11.222 3.237 -12.675) 17.235 15.367 ( 8.622 -3.843 5.212) 10.783 15.367 ( 8.622 3.843 5.212) 10.783 15.416 ( -1.102 -20.246 -1.351) 20.321 15.416 ( -1.102 20.246 -1.351) 20.321 15.947 ( -10.833 -0.805 -8.680) 13.905 15.947 ( -10.833 0.805 -8.680) 13.905 21.492 ( 14.060 -8.968 3.034) 16.950 21.492 ( 14.060 8.968 3.034) 16.950 22.393 ( -12.366 -12.221 -4.784) 18.032 22.393 ( -12.366 12.221 -4.784) 18.032 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 0.498 -4.721 2.182) 5.225 2.361 ( 0.498 4.721 2.182) 5.225 2.425 ( -4.526 -7.575 0.284) 8.829 2.425 ( -4.526 7.575 0.284) 8.829 2.747 ( 3.212 -4.675 1.502) 5.868 2.747 ( 3.212 4.675 1.502) 5.868 2.829 ( -3.248 -3.677 1.442) 5.114 2.829 ( -3.248 3.677 1.442) 5.114 3.236 ( 1.163 -8.078 -4.682) 9.409 3.236 ( 1.163 8.078 -4.682) 9.409 3.304 ( -4.919 -7.894 -2.030) 9.520 3.304 ( -4.919 7.894 -2.030) 9.520 4.812 ( 6.091 -4.487 -3.078) 8.167 4.812 ( 6.091 4.487 -3.078) 8.167 4.897 ( -2.303 -4.185 0.685) 4.826 4.897 ( -2.303 4.185 0.685) 4.826 5.555 ( 6.342 -1.484 -1.800) 6.758 5.555 ( 6.342 1.484 -1.800) 6.758 5.590 ( 2.606 -1.635 1.719) 3.525 5.590 ( 2.606 1.635 1.719) 3.525 6.044 ( 26.600 -13.616 -11.973) 32.192 6.044 ( 26.600 13.616 -11.973) 32.192 6.511 ( -18.543 -9.345 -10.873) 23.439 6.511 ( -18.543 9.345 -10.873) 23.439 6.766 ( 11.388 -9.278 -2.684) 14.932 6.766 ( 11.388 9.278 -2.684) 14.932 6.969 ( -10.110 -10.225 -4.731) 15.137 6.969 ( -10.110 10.225 -4.731) 15.137 7.801 ( 8.016 -4.584 8.272) 12.397 7.801 ( 8.016 4.584 8.272) 12.397 7.984 ( -8.976 -5.378 8.872) 13.719 7.984 ( -8.976 5.378 8.872) 13.719 8.582 ( 3.333 -7.838 3.879) 9.359 8.582 ( 3.333 7.838 3.879) 9.359 8.658 ( -4.826 -6.912 7.140) 11.047 8.658 ( -4.826 6.912 7.140) 11.047 9.678 ( 23.338 -17.152 -0.658) 28.971 9.678 ( 23.338 17.152 -0.658) 28.971 10.068 ( -14.404 -20.137 -2.176) 24.854 10.068 ( -14.404 20.137 -2.176) 24.854 10.278 ( 14.097 -16.821 -7.413) 23.166 10.278 ( 14.097 16.821 -7.413) 23.166 10.632 ( -19.408 -14.494 -6.876) 25.179 10.632 ( -19.408 14.494 -6.876) 25.179 12.559 ( 1.651 -5.556 8.504) 10.291 12.559 ( 1.651 5.556 8.504) 10.291 12.589 ( -1.462 -5.563 9.629) 11.216 12.589 ( -1.462 5.563 9.629) 11.216 15.170 ( 10.688 -4.222 -12.907) 17.282 15.170 ( 10.688 4.222 -12.907) 17.282 15.336 ( -6.279 -13.136 -7.225) 16.253 15.336 ( -6.279 13.136 -7.225) 16.253 15.546 ( 9.081 -7.678 1.241) 11.956 15.546 ( 9.081 7.678 1.241) 11.956 15.735 ( -10.817 -3.894 -5.426) 12.713 15.735 ( -10.817 3.894 -5.426) 12.713 21.797 ( 17.141 -10.555 -0.067) 20.130 21.797 ( 17.141 10.555 -0.067) 20.130 22.119 ( -16.050 -11.860 -3.182) 20.209 22.119 ( -16.050 11.860 -3.182) 20.209 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 0.000 33.535) 33.535 1.426 ( 0.000 0.000 30.180) 30.180 2.348 ( 0.000 0.000 33.427) 33.427 2.871 ( 0.000 0.000 12.746) 12.746 2.992 ( 0.000 0.000 2.564) 2.564 3.022 ( 0.000 0.000 -6.461) 6.461 3.148 ( 0.000 0.000 -13.145) 13.145 3.182 ( 0.000 0.000 -17.732) 17.732 3.249 ( 0.000 0.000 9.227) 9.227 3.345 ( 0.000 0.000 2.940) 2.940 3.449 ( 0.000 0.000 -2.735) 2.735 3.736 ( 0.000 0.000 -0.784) 0.784 3.972 ( 0.000 0.000 -3.481) 3.481 4.047 ( 0.000 0.000 -4.234) 4.234 4.377 ( 0.000 0.000 18.786) 18.786 4.395 ( 0.000 0.000 4.099) 4.099 4.496 ( 0.000 0.000 -3.348) 3.348 4.679 ( 0.000 0.000 9.749) 9.749 4.769 ( 0.000 0.000 14.435) 14.435 4.887 ( 0.000 0.000 -14.481) 14.481 5.244 ( 0.000 0.000 29.525) 29.525 5.733 ( 0.000 0.000 -4.251) 4.251 6.046 ( 0.000 0.000 -7.225) 7.225 6.249 ( 0.000 0.000 5.894) 5.894 6.600 ( 0.000 0.000 27.663) 27.663 6.667 ( 0.000 0.000 -20.622) 20.622 6.713 ( 0.000 0.000 26.272) 26.272 7.034 ( 0.000 0.000 -1.518) 1.518 7.458 ( 0.000 0.000 -8.433) 8.433 7.759 ( 0.000 0.000 -2.432) 2.432 7.764 ( 0.000 0.000 18.670) 18.670 7.913 ( 0.000 0.000 4.855) 4.855 8.373 ( 0.000 0.000 -3.786) 3.786 8.700 ( 0.000 0.000 15.516) 15.516 8.947 ( 0.000 0.000 11.122) 11.122 9.043 ( 0.000 0.000 -11.470) 11.470 9.335 ( 0.000 0.000 -14.899) 14.899 9.530 ( 0.000 0.000 4.937) 4.937 9.535 ( 0.000 0.000 -2.865) 2.865 9.796 ( 0.000 0.000 11.011) 11.011 10.287 ( 0.000 0.000 -17.346) 17.346 10.667 ( 0.000 0.000 -21.631) 21.631 11.155 ( 0.000 0.000 -10.542) 10.542 11.581 ( 0.000 0.000 -9.217) 9.217 12.241 ( 0.000 0.000 12.883) 12.883 12.756 ( 0.000 0.000 11.323) 11.323 13.046 ( 0.000 0.000 8.244) 8.244 13.435 ( 0.000 0.000 -5.228) 5.228 14.162 ( 0.000 0.000 6.729) 6.729 14.425 ( 0.000 0.000 9.267) 9.267 14.792 ( 0.000 0.000 -0.864) 0.864 14.828 ( 0.000 0.000 10.893) 10.893 15.065 ( 0.000 0.000 17.687) 17.687 16.039 ( 0.000 0.000 -9.102) 9.102 16.255 ( 0.000 0.000 -1.232) 1.232 16.257 ( 0.000 0.000 -9.607) 9.607 21.147 ( 0.000 0.000 8.364) 8.364 21.602 ( 0.000 0.000 14.505) 14.505 22.326 ( 0.000 0.000 -9.217) 9.217 23.204 ( 0.000 0.000 -5.945) 5.945 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 12.644 0.000 28.128) 30.840 1.557 ( 10.806 0.000 24.756) 27.012 2.578 ( 20.171 0.000 17.521) 26.718 2.815 ( -1.642 0.000 15.514) 15.601 2.989 ( -5.414 0.000 -8.051) 9.703 3.023 ( 2.981 0.000 1.834) 3.500 3.149 ( 1.939 0.000 -3.723) 4.197 3.193 ( -0.353 0.000 -14.974) 14.978 3.241 ( -4.815 0.000 3.050) 5.700 3.318 ( 1.651 0.000 6.245) 6.460 3.469 ( -0.295 0.000 -8.857) 8.862 3.817 ( 8.348 0.000 1.083) 8.418 3.937 ( -3.337 0.000 -2.114) 3.951 4.026 ( -2.583 0.000 -1.542) 3.008 4.237 ( -9.690 0.000 17.639) 20.125 4.336 ( -2.119 0.000 -1.276) 2.473 4.636 ( 10.678 0.000 2.628) 10.996 4.736 ( 6.037 0.000 10.352) 11.984 4.834 ( 3.976 0.000 -7.800) 8.755 5.009 ( 12.635 0.000 2.881) 12.960 5.320 ( 6.832 0.000 20.943) 22.029 5.764 ( 2.049 0.000 -5.451) 5.823 6.060 ( 1.640 0.000 -6.108) 6.324 6.310 ( 5.760 0.000 6.964) 9.037 6.442 ( -11.560 0.000 20.896) 23.880 6.659 ( -0.567 0.000 17.746) 17.755 6.773 ( 7.576 0.000 -14.774) 16.604 7.196 ( 5.700 0.000 -1.611) 5.923 7.425 ( -1.812 0.000 -1.993) 2.693 7.756 ( 0.327 0.000 -3.708) 3.723 7.817 ( -5.718 0.000 2.929) 6.424 7.828 ( 8.981 0.000 13.293) 16.043 8.343 ( -1.341 0.000 -0.918) 1.625 8.698 ( -0.235 0.000 13.550) 13.552 9.033 ( -1.020 0.000 -7.112) 7.185 9.109 ( -12.452 0.000 -5.587) 13.648 9.124 ( 8.460 0.000 2.482) 8.817 9.391 ( -6.297 0.000 2.696) 6.850 9.749 ( 12.606 0.000 1.247) 12.667 9.921 ( 3.144 0.000 2.551) 4.048 10.172 ( -5.712 0.000 -12.368) 13.623 10.628 ( -4.418 0.000 -20.267) 20.743 11.201 ( 4.208 0.000 -11.119) 11.889 11.555 ( -2.842 0.000 -8.215) 8.692 12.231 ( -0.744 0.000 13.254) 13.274 12.609 ( -10.347 0.000 20.238) 22.730 13.091 ( 4.138 0.000 8.924) 9.836 13.386 ( -4.954 0.000 -4.904) 6.971 14.180 ( 1.831 0.000 6.157) 6.424 14.386 ( -3.051 0.000 4.326) 5.294 14.772 ( -1.799 0.000 -1.466) 2.320 14.859 ( 2.504 0.000 3.579) 4.368 15.195 ( 12.218 0.000 18.744) 22.375 15.903 ( -11.632 0.000 -11.666) 16.474 16.189 ( -7.234 0.000 -11.698) 13.754 16.326 ( 4.818 0.000 -0.103) 4.819 21.240 ( 7.520 0.000 6.806) 10.143 21.659 ( 5.915 0.000 13.966) 15.167 22.264 ( -6.227 0.000 -9.670) 11.501 23.176 ( -3.010 0.000 -6.195) 6.887 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 10.464 0.000 14.422) 17.818 1.865 ( 19.718 0.000 17.560) 26.404 2.648 ( -3.821 0.000 -2.976) 4.843 2.845 ( -8.004 0.000 -5.664) 9.805 3.031 ( -6.036 0.000 -6.255) 8.693 3.082 ( 1.004 0.000 -1.735) 2.004 3.112 ( -7.141 0.000 -3.808) 8.093 3.168 ( 3.452 0.000 -0.518) 3.490 3.300 ( 25.557 0.000 19.336) 32.047 3.358 ( -11.096 0.000 -6.416) 12.817 3.413 ( 7.168 0.000 10.091) 12.378 3.869 ( -2.712 0.000 -1.219) 2.973 3.974 ( 3.390 0.000 -3.010) 4.533 3.992 ( 2.877 0.000 -1.597) 3.291 4.194 ( 6.741 0.000 2.708) 7.265 4.312 ( -0.939 0.000 -6.385) 6.454 4.873 ( 12.446 0.000 7.218) 14.388 4.906 ( 11.245 0.000 11.878) 16.356 4.946 ( 9.785 0.000 -9.023) 13.310 5.247 ( 10.352 0.000 5.138) 11.556 5.466 ( 7.686 0.000 10.168) 12.746 5.773 ( -1.404 0.000 -7.592) 7.721 6.054 ( -6.793 0.000 -1.017) 6.869 6.295 ( 1.992 0.000 5.757) 6.092 6.423 ( 4.098 0.000 1.959) 4.542 6.738 ( 7.580 0.000 10.043) 12.583 6.943 ( 9.217 0.000 -11.387) 14.650 7.085 ( -12.705 0.000 -9.517) 15.874 7.417 ( -1.002 0.000 -3.216) 3.369 7.772 ( 3.512 0.000 1.895) 3.990 7.796 ( 3.763 0.000 -2.549) 4.546 7.966 ( -0.313 0.000 -0.668) 0.738 8.468 ( 12.837 0.000 6.102) 14.213 8.691 ( -1.045 0.000 10.986) 11.036 8.978 ( 0.545 0.000 5.086) 5.116 8.999 ( -13.545 0.000 -4.803) 14.372 9.041 ( 3.891 0.000 2.509) 4.630 9.469 ( 5.015 0.000 -1.820) 5.336 9.669 ( -19.770 0.000 -5.753) 20.590 9.938 ( 7.566 0.000 5.918) 9.606 10.333 ( 15.257 0.000 1.425) 15.324 10.490 ( -9.693 0.000 -16.887) 19.471 11.284 ( 3.548 0.000 -11.952) 12.468 11.462 ( -7.259 0.000 -5.310) 8.994 12.236 ( 2.016 0.000 13.622) 13.771 12.508 ( 0.758 0.000 24.462) 24.474 13.169 ( 2.884 0.000 10.035) 10.441 13.256 ( -8.090 0.000 -3.455) 8.797 14.232 ( 3.668 0.000 3.541) 5.098 14.348 ( -0.411 0.000 -4.727) 4.745 14.729 ( -2.504 0.000 -1.872) 3.126 14.910 ( 2.986 0.000 -6.402) 7.065 15.481 ( 16.771 0.000 17.596) 24.308 15.636 ( -15.889 0.000 -16.786) 23.113 15.987 ( -13.571 0.000 -16.460) 21.333 16.395 ( 2.008 0.000 1.846) 2.727 21.366 ( 5.177 0.000 5.079) 7.252 21.825 ( 11.294 0.000 11.923) 16.423 22.101 ( -10.413 0.000 -10.607) 14.864 23.085 ( -6.594 0.000 -6.447) 9.222 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 12.418 0.000 3.616) 12.933 2.259 ( 20.535 0.000 8.164) 22.098 2.597 ( -1.562 0.000 -4.408) 4.677 2.722 ( -4.550 0.000 -6.267) 7.745 2.812 ( -13.408 0.000 -5.883) 14.642 2.903 ( -10.458 0.000 -2.025) 10.652 3.053 ( -7.588 0.000 -0.816) 7.632 3.175 ( -5.754 0.000 0.389) 5.767 3.225 ( 3.837 0.000 -0.469) 3.866 3.539 ( 5.295 0.000 7.940) 9.543 3.630 ( 1.363 0.000 7.411) 7.536 3.916 ( 2.600 0.000 0.815) 2.725 3.963 ( -0.346 0.000 -3.732) 3.748 4.075 ( 1.736 0.000 -4.787) 5.092 4.404 ( 17.754 0.000 -7.614) 19.318 4.458 ( 19.148 0.000 -14.281) 23.888 5.081 ( 11.060 0.000 1.118) 11.116 5.121 ( 9.454 0.000 12.246) 15.470 5.212 ( 14.873 0.000 4.055) 15.416 5.397 ( 5.561 0.000 4.569) 7.197 5.588 ( 4.975 0.000 0.706) 5.025 5.709 ( -5.582 0.000 -5.297) 7.695 5.816 ( -15.167 0.000 -1.101) 15.207 6.313 ( -17.820 0.000 -26.189) 31.676 6.503 ( 16.076 0.000 -11.688) 19.876 6.828 ( 3.661 0.000 4.355) 5.689 7.019 ( 5.823 0.000 8.013) 9.905 7.101 ( 8.288 0.000 -5.857) 10.149 7.309 ( -9.581 0.000 -6.689) 11.685 7.865 ( 1.852 0.000 -7.098) 7.336 7.930 ( 0.385 0.000 -0.987) 1.059 8.006 ( 17.994 0.000 2.997) 18.242 8.521 ( -6.777 0.000 -2.229) 7.134 8.571 ( -12.658 0.000 1.239) 12.719 8.812 ( -3.916 0.000 -5.136) 6.459 9.066 ( 7.382 0.000 14.376) 16.160 9.220 ( -19.222 0.000 -0.398) 19.226 9.284 ( 14.726 0.000 12.414) 19.260 9.606 ( 4.243 0.000 0.146) 4.245 10.104 ( 12.884 0.000 9.820) 16.199 10.239 ( -14.824 0.000 -12.074) 19.119 10.660 ( 16.639 0.000 0.443) 16.645 11.264 ( -13.848 0.000 -1.083) 13.890 11.300 ( -2.575 0.000 -10.206) 10.526 12.326 ( 7.519 0.000 11.834) 14.021 12.606 ( 7.624 0.000 22.072) 23.352 13.074 ( -8.815 0.000 -1.904) 9.018 13.198 ( -1.533 0.000 12.089) 12.186 14.319 ( 5.139 0.000 0.241) 5.145 14.378 ( 3.464 0.000 -12.528) 12.999 14.685 ( -1.555 0.000 -2.984) 3.365 14.990 ( 5.836 0.000 -14.593) 15.717 15.309 ( -17.946 0.000 -21.561) 28.052 15.695 ( -16.316 0.000 -21.182) 26.737 15.806 ( 16.591 0.000 14.060) 21.748 16.392 ( -2.480 0.000 3.855) 4.584 21.448 ( 4.027 0.000 1.117) 4.179 21.888 ( -11.350 0.000 -10.843) 15.697 22.080 ( 15.092 0.000 7.862) 17.017 22.921 ( -10.701 0.000 -5.540) 12.050 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 15.190 0.000 -2.855) 15.456 2.533 ( -14.171 0.000 -6.837) 15.734 2.602 ( 3.239 0.000 -4.499) 5.544 2.602 ( 11.044 0.000 -1.297) 11.119 2.652 ( -3.354 0.000 -7.404) 8.129 2.758 ( -5.385 0.000 -5.071) 7.397 2.931 ( -1.257 0.000 3.942) 4.137 3.043 ( -8.931 0.000 4.142) 9.845 3.338 ( 7.989 0.000 7.080) 10.675 3.500 ( -7.621 0.000 12.191) 14.377 3.688 ( 5.798 0.000 -4.352) 7.250 3.820 ( -7.939 0.000 -3.257) 8.581 3.991 ( 3.138 0.000 -4.678) 5.633 4.057 ( -2.953 0.000 -4.758) 5.600 4.863 ( 21.431 0.000 -17.920) 27.936 4.895 ( 27.426 0.000 -7.623) 28.466 5.168 ( -7.217 0.000 0.728) 7.253 5.294 ( 10.544 0.000 2.139) 10.758 5.336 ( -13.030 0.000 -6.728) 14.664 5.464 ( -6.075 0.000 6.386) 8.814 5.509 ( 3.761 0.000 3.574) 5.189 5.639 ( -5.574 0.000 0.347) 5.584 5.690 ( 7.461 0.000 -10.271) 12.694 5.926 ( -17.943 0.000 -25.786) 31.415 6.817 ( 15.387 0.000 -12.301) 19.699 6.949 ( 7.398 0.000 7.610) 10.613 7.060 ( -2.883 0.000 7.313) 7.861 7.084 ( -12.820 0.000 -8.064) 15.146 7.345 ( 17.937 0.000 -10.690) 20.881 7.728 ( -17.623 0.000 -13.906) 22.449 8.051 ( 11.782 0.000 0.037) 11.782 8.311 ( -13.692 0.000 -1.687) 13.796 8.316 ( 10.771 0.000 -1.012) 10.819 8.408 ( -2.110 0.000 -5.444) 5.838 8.782 ( 1.717 0.000 3.879) 4.242 8.926 ( -11.778 0.000 7.344) 13.880 9.239 ( 9.654 0.000 17.688) 20.151 9.382 ( -3.539 0.000 15.709) 16.103 9.721 ( 8.655 0.000 -3.391) 9.295 9.947 ( -14.571 0.000 -7.304) 16.299 10.481 ( 24.246 0.000 7.825) 25.477 10.928 ( -21.144 0.000 3.514) 21.434 10.956 ( 14.055 0.000 -2.006) 14.197 11.183 ( -9.344 0.000 -5.912) 11.057 12.506 ( 10.471 0.000 9.059) 13.846 12.673 ( -4.267 0.000 12.877) 13.566 12.995 ( 3.364 0.000 7.190) 7.938 13.119 ( -6.524 0.000 12.817) 14.382 14.405 ( 3.670 0.000 -1.791) 4.084 14.441 ( 0.974 0.000 -9.985) 10.033 14.726 ( 7.837 0.000 -13.145) 15.304 14.973 ( -16.424 0.000 -22.103) 27.537 15.145 ( 10.571 0.000 -20.612) 23.165 15.391 ( -14.890 0.000 -23.023) 27.418 16.093 ( 13.073 0.000 9.778) 16.325 16.295 ( -7.852 0.000 6.352) 10.100 21.541 ( 6.036 0.000 -4.478) 7.516 21.687 ( -9.302 0.000 -8.955) 12.912 22.384 ( 16.188 0.000 2.453) 16.373 22.679 ( -14.386 0.000 -2.515) 14.604 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.000 8.777 23.633) 25.210 1.586 ( 0.000 14.436 25.003) 28.871 2.621 ( 0.000 17.607 13.864) 22.411 2.867 ( 0.000 -12.338 -8.204) 14.817 2.971 ( 0.000 9.862 18.854) 21.278 2.985 ( 0.000 -3.578 -3.222) 4.815 3.051 ( 0.000 -0.920 -3.485) 3.604 3.061 ( 0.000 -13.960 0.982) 13.995 3.222 ( 0.000 -1.186 11.358) 11.419 3.271 ( 0.000 3.318 -22.629) 22.871 3.557 ( 0.000 1.696 -7.285) 7.480 3.757 ( 0.000 2.701 1.980) 3.349 3.912 ( 0.000 -5.472 -4.393) 7.017 4.248 ( 0.000 10.785 -4.377) 11.639 4.288 ( 0.000 -3.412 8.780) 9.419 4.362 ( 0.000 -0.638 7.423) 7.451 4.574 ( 0.000 2.835 8.110) 8.591 4.865 ( 0.000 10.006 12.811) 16.256 4.933 ( 0.000 7.202 -7.595) 10.467 4.995 ( 0.000 29.061 9.325) 30.521 5.184 ( 0.000 -5.645 27.019) 27.602 5.764 ( 0.000 3.880 -1.881) 4.312 5.950 ( 0.000 -7.770 -6.324) 10.018 6.457 ( 0.000 -8.168 21.934) 23.406 6.537 ( 0.000 16.119 -0.575) 16.129 6.617 ( 0.000 -0.880 -12.751) 12.781 6.896 ( 0.000 10.937 28.412) 30.444 7.061 ( 0.000 2.326 -1.818) 2.952 7.412 ( 0.000 -4.636 -3.778) 5.980 7.731 ( 0.000 -3.535 -3.521) 4.989 7.822 ( 0.000 5.734 16.021) 17.016 7.891 ( 0.000 -0.679 3.653) 3.715 8.239 ( 0.000 -10.030 2.597) 10.361 8.683 ( 0.000 -2.978 13.096) 13.431 8.859 ( 0.000 -3.778 3.933) 5.454 9.056 ( 0.000 0.773 -11.502) 11.528 9.433 ( 0.000 2.201 -9.349) 9.604 9.468 ( 0.000 -6.478 -2.149) 6.825 9.536 ( 0.000 0.518 5.660) 5.683 9.752 ( 0.000 -3.452 9.672) 10.270 10.325 ( 0.000 4.098 -17.171) 17.653 10.706 ( 0.000 3.421 -20.649) 20.931 11.123 ( 0.000 -2.772 -11.259) 11.595 11.538 ( 0.000 -4.614 -9.929) 10.948 12.262 ( 0.000 2.539 12.988) 13.234 12.664 ( 0.000 -4.425 15.610) 16.225 12.985 ( 0.000 -5.827 8.492) 10.299 13.346 ( 0.000 -8.260 -3.867) 9.121 14.365 ( 0.000 18.843 5.952) 19.761 14.473 ( 0.000 3.695 10.173) 10.823 14.805 ( 0.000 -2.134 10.974) 11.180 14.945 ( 0.000 11.142 -3.210) 11.595 15.088 ( 0.000 2.131 16.678) 16.814 16.055 ( 0.000 1.555 -9.068) 9.201 16.167 ( 0.000 -8.508 -0.755) 8.542 16.246 ( 0.000 -1.227 -9.515) 9.594 21.116 ( 0.000 -1.540 7.882) 8.031 21.547 ( 0.000 -5.167 13.211) 14.186 22.352 ( 0.000 2.665 -9.101) 9.483 23.110 ( 0.000 -8.753 -6.204) 10.729 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 12.026 8.021 20.294) 24.917 1.723 ( 11.213 13.701 20.173) 26.840 2.707 ( 4.159 6.841 0.598) 8.028 2.852 ( -2.071 -9.953 -7.435) 12.595 2.926 ( -0.185 9.099 15.234) 17.745 2.974 ( -0.032 -5.468 0.141) 5.469 3.033 ( -1.102 -7.006 -1.508) 7.250 3.093 ( 1.314 -5.757 -2.856) 6.560 3.262 ( 1.709 -1.763 -1.884) 3.095 3.291 ( 3.926 5.621 -3.575) 7.732 3.549 ( -2.373 2.530 -6.864) 7.691 3.794 ( 1.989 -1.610 1.409) 2.921 3.920 ( 3.376 -0.296 -2.391) 4.148 4.218 ( -7.083 3.520 13.180) 15.371 4.269 ( 0.965 5.090 -1.608) 5.425 4.393 ( 2.800 6.228 7.157) 9.892 4.598 ( 6.944 0.959 3.025) 7.635 4.881 ( 0.278 3.560 -5.693) 6.720 4.979 ( 6.442 4.838 8.795) 11.928 5.022 ( 4.073 25.363 9.613) 27.428 5.337 ( 12.833 -0.011 19.980) 23.746 5.752 ( -0.815 -1.285 -4.107) 4.380 5.997 ( 3.825 -3.014 -3.570) 6.038 6.368 ( -5.925 -4.728 14.494) 16.356 6.598 ( 4.631 16.949 8.845) 19.672 6.723 ( 7.842 -4.733 -11.767) 14.912 6.809 ( -2.960 12.560 11.067) 17.000 7.229 ( 5.642 2.521 0.662) 6.215 7.407 ( 1.951 -0.445 0.840) 2.170 7.735 ( 0.594 -3.328 -1.850) 3.854 7.818 ( -4.541 2.208 -0.823) 5.116 7.850 ( 4.935 2.269 9.771) 11.180 8.272 ( 3.648 -6.229 2.393) 7.605 8.644 ( -3.441 -5.373 12.313) 13.868 8.889 ( 0.026 -6.985 2.482) 7.413 9.044 ( -0.808 -0.308 -6.969) 7.022 9.299 ( -9.733 2.287 0.095) 9.998 9.360 ( -1.161 -2.193 1.251) 2.779 9.732 ( 10.708 -1.743 1.653) 10.974 9.902 ( 9.933 -3.433 4.938) 11.612 10.189 ( -11.449 3.618 -15.692) 19.759 10.668 ( -4.228 3.535 -19.579) 20.340 11.139 ( 1.410 -5.230 -11.316) 12.546 11.513 ( -2.793 -4.686 -9.398) 10.867 12.266 ( 0.603 3.757 13.247) 13.783 12.580 ( -6.079 -0.509 19.554) 20.484 13.031 ( 4.141 -5.808 9.098) 11.560 13.301 ( -4.506 -7.869 -3.429) 9.694 14.368 ( 0.099 15.664 5.728) 16.679 14.448 ( -1.404 7.124 4.774) 8.690 14.805 ( -0.293 -1.243 5.995) 6.130 14.939 ( -0.167 9.744 -3.765) 10.447 15.208 ( 11.262 1.145 17.550) 20.884 15.907 ( -11.532 0.025 -11.017) 15.948 16.176 ( -7.300 -1.292 -11.592) 13.760 16.252 ( 4.806 -6.983 -0.243) 8.480 21.193 ( 6.593 -3.023 7.437) 10.389 21.600 ( 5.546 -5.510 12.767) 14.970 22.292 ( -6.021 2.864 -9.537) 11.637 23.081 ( -3.183 -8.935 -6.462) 11.477 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 11.647 10.984 12.991) 20.617 1.931 ( 13.540 6.296 13.632) 20.219 2.644 ( -5.772 -1.448 -3.839) 7.082 2.751 ( -6.121 -7.055 -5.906) 11.051 2.948 ( -4.515 -5.261 -4.683) 8.366 2.983 ( -1.047 -6.626 -3.243) 7.451 3.065 ( 0.039 -6.230 -1.462) 6.399 3.110 ( -1.621 -1.251 -6.548) 6.860 3.254 ( -0.076 0.340 -2.515) 2.539 3.375 ( 1.702 -3.077 4.291) 5.548 3.530 ( 3.748 5.845 6.485) 9.501 3.775 ( 0.301 -3.331 3.444) 4.801 4.057 ( 7.274 7.039 -0.555) 10.137 4.194 ( 8.886 4.014 1.536) 9.871 4.267 ( 0.393 2.047 -3.670) 4.221 4.466 ( 3.439 20.676 3.706) 21.285 4.824 ( 14.605 -0.198 1.949) 14.736 4.955 ( 7.265 2.367 -5.366) 9.337 5.094 ( 8.260 12.182 8.913) 17.207 5.173 ( 9.768 6.491 11.486) 16.415 5.606 ( 13.262 2.022 9.799) 16.613 5.737 ( -0.716 -1.941 -3.433) 4.008 6.033 ( -2.010 1.339 0.252) 2.428 6.261 ( -3.944 0.770 7.036) 8.103 6.711 ( 7.226 1.599 10.898) 13.174 6.744 ( -3.280 15.397 -11.241) 19.344 6.905 ( 5.693 -3.450 -9.122) 11.293 7.189 ( -4.634 8.462 -8.243) 12.689 7.438 ( -0.049 4.795 -1.130) 4.927 7.766 ( 4.000 -0.268 3.080) 5.056 7.787 ( 2.546 -0.576 -5.431) 6.026 7.963 ( 2.714 0.273 1.190) 2.976 8.426 ( 5.357 -3.882 2.401) 7.038 8.631 ( 8.210 -5.578 13.232) 16.542 8.856 ( -2.966 -4.194 6.011) 7.907 9.040 ( 1.286 -1.767 1.207) 2.497 9.136 ( -3.430 6.252 3.370) 7.887 9.425 ( 4.651 -5.684 1.414) 7.479 9.716 ( -18.705 5.365 -9.668) 21.728 9.944 ( 4.471 0.848 4.003) 6.061 10.236 ( 13.720 -8.927 0.669) 16.382 10.536 ( -9.528 4.168 -16.480) 19.487 11.160 ( 0.085 -10.370 -10.757) 14.942 11.421 ( -6.994 -5.053 -7.846) 11.662 12.299 ( 3.196 5.917 13.361) 14.957 12.526 ( 1.314 2.389 21.853) 22.022 13.106 ( 2.181 -6.167 9.131) 11.232 13.187 ( -6.439 -6.241 -0.891) 9.012 14.371 ( 1.052 8.162 -2.188) 8.516 14.454 ( 1.906 14.503 1.099) 14.669 14.791 ( -1.073 2.159 -0.240) 2.423 14.946 ( 1.221 6.252 -7.047) 9.499 15.473 ( 15.605 -0.851 16.434) 22.678 15.648 ( -15.423 0.891 -16.226) 22.404 15.973 ( -13.480 -1.248 -16.283) 21.176 16.317 ( 1.798 -7.586 1.620) 7.963 21.319 ( 6.049 -3.376 5.987) 9.156 21.755 ( 10.560 -6.487 10.980) 16.558 22.134 ( -10.159 3.295 -10.393) 14.902 22.986 ( -6.798 -9.325 -6.750) 13.369 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 8.971 8.875 4.903) 13.539 2.220 ( 13.069 -2.273 6.654) 14.840 2.588 ( 0.498 -4.097 -5.127) 6.581 2.654 ( -4.349 -5.019 -6.638) 9.390 2.775 ( -11.115 -1.388 -3.587) 11.762 2.935 ( -8.217 -3.483 -4.797) 10.132 2.981 ( -5.157 -5.378 -1.691) 7.640 3.037 ( 0.542 -3.685 -1.934) 4.197 3.176 ( -5.639 0.876 1.515) 5.904 3.480 ( 4.848 -5.484 1.992) 7.586 3.499 ( -5.271 -11.363 3.503) 13.007 3.788 ( -4.464 -9.779 -0.604) 10.767 4.214 ( 7.931 11.865 -2.451) 14.481 4.387 ( 11.580 14.546 -4.298) 19.083 4.490 ( 7.718 7.890 -8.999) 14.241 4.551 ( 21.097 18.550 -5.389) 28.605 5.100 ( 13.188 1.782 2.024) 13.460 5.121 ( 8.362 2.460 2.192) 8.988 5.297 ( 11.334 5.555 7.343) 14.603 5.361 ( 9.084 1.438 9.160) 12.980 5.683 ( -2.362 -1.279 -3.998) 4.817 5.805 ( 3.492 12.125 7.025) 14.442 5.898 ( -10.453 9.091 -0.067) 13.853 6.230 ( -4.012 -4.061 -15.206) 16.243 6.537 ( -11.011 3.767 -20.374) 23.463 6.854 ( 2.441 -10.125 -1.578) 10.534 6.974 ( 6.590 5.280 3.920) 9.310 7.189 ( -0.396 1.602 -11.349) 11.468 7.434 ( 4.236 18.241 0.040) 18.726 7.840 ( 3.734 -1.151 -3.696) 5.378 7.974 ( 7.480 2.385 2.664) 8.291 8.002 ( 8.852 -0.284 2.773) 9.281 8.352 ( -7.326 -7.827 -0.832) 10.753 8.705 ( -11.526 3.903 0.389) 12.175 8.818 ( 4.246 0.640 5.429) 6.922 9.137 ( 8.597 5.858 10.146) 14.531 9.281 ( 2.998 1.390 9.002) 9.589 9.320 ( -9.381 7.859 -3.780) 12.808 9.507 ( 4.595 -8.485 -0.424) 9.659 10.076 ( 10.907 -2.697 8.505) 14.091 10.277 ( -14.273 3.732 -11.269) 18.564 10.545 ( 14.861 -10.635 -0.750) 18.290 11.108 ( -6.978 -13.035 -5.751) 15.865 11.248 ( -10.483 -6.473 -7.442) 14.394 12.393 ( 6.584 6.103 12.012) 14.996 12.617 ( 6.821 1.301 20.405) 21.554 13.016 ( -7.537 -5.337 -0.233) 9.238 13.147 ( -1.399 -4.816 12.023) 13.027 14.433 ( 5.557 6.456 -12.828) 15.399 14.505 ( 3.088 15.558 0.164) 15.863 14.768 ( -1.088 6.212 -2.484) 6.778 15.000 ( 4.845 2.551 -13.611) 14.671 15.329 ( -17.485 1.805 -21.017) 27.399 15.683 ( -15.972 -1.033 -20.712) 26.175 15.776 ( 15.158 -3.057 12.800) 20.073 16.314 ( -2.300 -7.740 3.508) 8.803 21.426 ( 5.578 -1.422 1.817) 6.036 21.918 ( -10.352 2.806 -9.724) 14.477 22.001 ( 13.274 -7.103 6.386) 16.353 22.819 ( -10.764 -9.605 -5.913) 15.591 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 11.839 2.671 -0.862) 12.167 2.402 ( 6.939 -8.121 -2.122) 10.891 2.502 ( -11.043 -2.260 -5.074) 12.361 2.546 ( -6.837 -7.370 -7.719) 12.675 2.726 ( 4.990 2.660 -2.643) 6.242 2.807 ( -4.355 2.601 -5.315) 7.347 2.915 ( 1.127 -2.415 2.497) 3.652 3.030 ( -6.943 -0.679 4.473) 8.286 3.140 ( 6.493 -9.702 2.681) 11.978 3.316 ( -10.710 -13.800 5.824) 18.414 3.588 ( 4.889 -7.484 -2.217) 9.210 3.681 ( -5.181 -8.501 -3.111) 10.430 4.323 ( 4.606 16.822 -4.635) 18.047 4.403 ( -3.587 23.554 -2.087) 23.917 4.816 ( 20.310 -0.906 -13.270) 24.278 5.049 ( 17.608 6.841 -13.361) 23.138 5.159 ( 2.103 6.424 -0.580) 6.784 5.330 ( 9.944 2.600 1.248) 10.354 5.428 ( 0.027 -0.935 2.566) 2.731 5.506 ( 4.110 2.387 2.635) 5.435 5.570 ( -11.978 10.476 -5.010) 16.683 5.663 ( -11.827 9.303 -2.892) 15.322 5.841 ( 4.735 11.530 -4.858) 13.377 6.006 ( -11.936 7.129 -14.379) 20.001 6.577 ( 9.650 -11.911 -7.430) 17.035 6.770 ( -9.056 -15.420 -7.742) 19.487 7.113 ( 5.101 4.214 2.792) 7.182 7.162 ( -0.973 1.101 -2.982) 3.324 7.616 ( 12.877 21.739 -6.036) 25.977 7.856 ( -8.128 8.625 -5.822) 13.204 8.018 ( 6.084 -0.605 1.854) 6.389 8.141 ( -2.218 -7.914 3.864) 9.082 8.344 ( 7.218 -1.671 -2.889) 7.952 8.478 ( -9.455 3.329 -3.758) 10.705 8.864 ( 2.439 5.962 5.953) 8.771 8.989 ( -11.664 7.266 2.969) 14.059 9.317 ( 8.295 6.208 15.062) 18.281 9.417 ( -1.282 1.987 13.042) 13.255 9.656 ( 12.233 -4.536 -4.950) 13.955 9.955 ( -17.430 2.205 -8.114) 19.352 10.427 ( 22.823 -5.411 7.375) 24.588 10.824 ( 13.085 -12.516 -3.657) 18.473 10.848 ( -18.768 -8.329 2.751) 20.716 11.055 ( -10.452 -11.826 -7.592) 17.514 12.541 ( 8.472 3.430 9.945) 13.507 12.678 ( -3.562 0.681 12.853) 13.355 12.955 ( 3.638 -3.665 7.943) 9.474 13.074 ( -6.104 -4.212 12.831) 14.820 14.552 ( 4.540 9.404 -12.725) 16.461 14.560 ( 2.236 14.046 -2.797) 14.495 14.787 ( 5.241 5.945 -9.524) 12.390 15.003 ( -15.638 2.800 -21.101) 26.413 15.143 ( 10.094 0.402 -19.930) 22.344 15.383 ( -14.683 -0.530 -22.615) 26.969 16.040 ( 11.990 -5.318 8.974) 15.893 16.224 ( -7.173 -6.972 5.813) 11.569 21.547 ( 7.358 1.029 -3.908) 8.395 21.713 ( -9.992 2.766 -8.495) 13.403 22.290 ( 15.664 -8.827 1.901) 18.080 22.579 ( -14.177 -9.488 -2.975) 17.316 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 0.000 17.348 9.600) 19.827 1.949 ( 0.000 19.530 15.979) 25.234 2.569 ( 0.000 -16.411 -5.366) 17.266 2.700 ( 0.000 -11.089 3.939) 11.768 2.844 ( 0.000 -2.938 -2.745) 4.021 2.896 ( 0.000 -4.227 -6.367) 7.642 3.079 ( 0.000 2.941 -1.944) 3.525 3.143 ( 0.000 4.414 -0.590) 4.453 3.342 ( 0.000 3.959 -24.349) 24.669 3.353 ( 0.000 5.245 5.927) 7.914 3.550 ( 0.000 -0.353 -18.461) 18.464 3.751 ( 0.000 -9.747 -5.313) 11.101 3.955 ( 0.000 18.753 19.746) 27.232 4.285 ( 0.000 -1.856 7.255) 7.489 4.298 ( 0.000 5.024 16.538) 17.285 4.467 ( 0.000 6.084 -1.888) 6.370 4.593 ( 0.000 -0.414 -0.441) 0.605 4.957 ( 0.000 -12.133 24.611) 27.439 5.148 ( 0.000 12.802 11.413) 17.151 5.179 ( 0.000 15.198 8.636) 17.481 5.573 ( 0.000 11.242 3.015) 11.639 5.742 ( 0.000 -12.170 -1.041) 12.214 6.065 ( 0.000 32.084 9.809) 33.550 6.315 ( 0.000 -2.661 7.789) 8.231 6.449 ( 0.000 -8.529 -19.997) 21.740 6.903 ( 0.000 11.404 17.658) 21.020 7.080 ( 0.000 6.404 24.172) 25.006 7.112 ( 0.000 2.062 0.495) 2.121 7.285 ( 0.000 -6.764 3.389) 7.566 7.543 ( 0.000 -16.307 -5.712) 17.279 7.910 ( 0.000 3.561 5.382) 6.454 8.023 ( 0.000 12.699 11.153) 16.901 8.090 ( 0.000 -3.919 8.131) 9.026 8.552 ( 0.000 -9.689 10.796) 14.506 8.855 ( 0.000 3.305 -3.151) 4.566 9.061 ( 0.000 -0.267 -11.456) 11.459 9.284 ( 0.000 -10.716 -0.467) 10.726 9.320 ( 0.000 -10.359 -3.657) 10.986 9.553 ( 0.000 1.360 6.884) 7.017 9.683 ( 0.000 -3.862 9.487) 10.243 10.460 ( 0.000 8.796 -17.320) 19.425 10.757 ( 0.000 -0.623 -17.842) 17.853 11.089 ( 0.000 1.521 -13.210) 13.297 11.394 ( 0.000 -8.812 -11.209) 14.258 12.371 ( 0.000 8.422 11.381) 14.158 12.680 ( 0.000 5.801 13.373) 14.577 12.818 ( 0.000 -10.261 8.865) 13.560 13.125 ( 0.000 -12.622 0.337) 12.626 14.560 ( 0.000 4.656 10.834) 11.793 14.743 ( 0.000 -3.601 10.916) 11.494 14.865 ( 0.000 27.813 4.541) 28.181 15.121 ( 0.000 5.244 1.985) 5.607 15.141 ( 0.000 2.895 13.655) 13.959 15.902 ( 0.000 -17.697 0.464) 17.703 16.099 ( 0.000 2.610 -9.030) 9.399 16.210 ( 0.000 -2.297 -9.390) 9.667 21.132 ( 0.000 3.403 6.257) 7.122 21.408 ( 0.000 -7.941 10.110) 12.856 22.443 ( 0.000 6.570 -8.754) 10.945 22.879 ( 0.000 -12.918 -6.987) 14.686 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 7.929 14.828 8.845) 19.000 2.069 ( 9.972 18.629 12.674) 24.640 2.558 ( -1.270 -14.640 -4.592) 15.396 2.765 ( 5.071 -11.483 -1.068) 12.599 2.849 ( -1.065 0.827 -1.790) 2.241 2.899 ( -0.325 -4.323 -6.469) 7.788 3.013 ( -5.569 -0.317 -1.920) 5.899 3.087 ( -3.611 2.766 1.201) 4.705 3.277 ( -3.557 1.787 -8.499) 9.385 3.377 ( -1.385 0.153 -11.251) 11.337 3.565 ( 0.457 -0.834 -15.073) 15.103 3.742 ( -0.451 -5.442 -3.008) 6.234 4.064 ( 11.357 16.412 15.827) 25.472 4.253 ( -3.038 1.539 11.117) 11.627 4.315 ( -0.574 3.035 9.965) 10.433 4.536 ( 7.722 6.319 6.197) 11.746 4.621 ( 5.611 0.125 -1.640) 5.848 4.911 ( 0.531 -3.328 7.527) 8.247 5.166 ( 4.040 12.496 8.730) 15.770 5.353 ( 11.007 5.209 15.596) 19.787 5.592 ( 2.171 10.518 3.113) 11.182 5.692 ( -4.088 -4.439 1.469) 6.211 6.129 ( 5.245 25.205 8.558) 27.130 6.296 ( 0.139 -1.290 2.837) 3.120 6.552 ( 8.328 -9.951 -12.372) 17.929 6.820 ( -6.963 5.298 18.937) 20.860 7.035 ( 0.765 5.734 3.712) 6.873 7.308 ( 9.045 6.058 -1.013) 10.933 7.426 ( 13.379 0.741 7.183) 15.204 7.574 ( 2.776 -13.116 -3.442) 13.842 7.890 ( -0.639 4.183 1.959) 4.663 8.008 ( -0.957 13.039 6.656) 14.671 8.143 ( 6.898 -5.225 6.573) 10.867 8.496 ( -5.122 -8.750 10.364) 14.499 8.837 ( -1.100 1.669 0.629) 2.096 9.008 ( -4.718 -2.012 -3.149) 6.018 9.221 ( -2.673 -8.006 -1.883) 8.648 9.265 ( -3.718 -8.524 3.380) 9.894 9.682 ( 9.137 -1.806 5.794) 10.969 9.796 ( 9.143 -5.587 4.793) 11.738 10.345 ( -11.162 10.724 -17.047) 23.026 10.719 ( -3.969 -1.286 -17.450) 17.942 11.055 ( -3.549 -0.218 -12.617) 13.109 11.363 ( -3.411 -9.313 -11.080) 14.871 12.397 ( 2.517 9.126 11.502) 14.897 12.645 ( -2.517 6.615 14.379) 16.027 12.865 ( 4.081 -9.997 9.274) 14.234 13.092 ( -3.180 -11.886 1.104) 12.353 14.531 ( -2.116 5.731 5.975) 8.546 14.745 ( 0.133 -4.097 6.578) 7.750 14.880 ( 1.326 27.537 3.747) 27.822 15.129 ( 1.047 7.211 1.485) 7.436 15.232 ( 8.596 0.966 14.084) 16.528 15.837 ( -6.830 -10.663 -4.762) 13.528 16.100 ( 0.048 -4.478 -5.436) 7.043 16.139 ( -7.181 -2.204 -11.179) 13.468 21.179 ( 4.550 2.313 6.996) 8.660 21.452 ( 4.585 -8.454 10.075) 13.928 22.390 ( -5.449 6.940 -9.152) 12.713 22.843 ( -3.737 -13.293 -7.269) 15.605 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 10.901 9.170 6.119) 15.504 2.239 ( 6.789 17.961 8.794) 21.119 2.515 ( -3.145 -9.719 -5.047) 11.394 2.702 ( -10.116 1.311 -1.853) 10.367 2.835 ( 1.466 -7.801 -6.540) 10.285 2.874 ( -2.729 -1.683 -5.411) 6.290 2.984 ( -7.569 -3.691 0.879) 8.466 3.020 ( 3.240 -8.769 -1.765) 9.514 3.211 ( -3.231 -1.432 -7.467) 8.261 3.326 ( -2.551 -2.391 -6.867) 7.705 3.508 ( -7.657 -2.321 -5.399) 9.652 3.703 ( -4.493 -6.145 2.295) 7.951 4.237 ( 4.122 2.712 -2.281) 5.436 4.290 ( 6.182 0.810 -0.504) 6.255 4.396 ( 16.461 20.049 9.969) 27.791 4.761 ( 13.163 10.217 9.178) 19.024 4.808 ( 13.318 -2.441 -1.442) 13.617 5.022 ( 9.940 2.917 1.352) 10.447 5.273 ( 6.931 9.435 7.133) 13.709 5.535 ( 4.470 -4.375 0.835) 6.311 5.575 ( -2.237 13.446 8.777) 16.212 5.703 ( 6.537 -2.670 8.651) 11.167 6.220 ( 3.263 19.497 5.565) 20.536 6.328 ( 2.452 5.683 1.576) 6.387 6.687 ( -1.501 -2.890 -7.177) 7.882 6.745 ( 7.294 -8.795 10.051) 15.217 6.991 ( -9.449 7.719 -10.014) 15.784 7.350 ( -5.687 6.082 -14.115) 16.388 7.606 ( 7.341 4.089 0.373) 8.412 7.683 ( 9.248 -7.646 2.814) 12.325 7.942 ( 4.621 15.336 2.399) 16.196 8.024 ( 2.779 7.803 0.509) 8.298 8.326 ( -0.058 -5.380 -0.666) 5.422 8.480 ( 14.254 -8.214 13.800) 21.472 8.844 ( 1.256 2.638 10.802) 11.190 8.963 ( 3.404 -3.178 4.187) 6.262 9.199 ( 0.802 -3.129 -1.372) 3.510 9.225 ( -0.825 -11.585 9.851) 15.230 9.795 ( 0.241 0.260 0.331) 0.485 9.978 ( 8.647 -6.524 1.179) 10.896 10.108 ( -9.361 8.795 -11.080) 16.964 10.606 ( -7.918 -0.946 -16.050) 17.922 10.956 ( -6.789 -5.494 -10.899) 13.967 11.256 ( -8.038 -10.419 -10.142) 16.614 12.460 ( 3.965 9.466 11.905) 15.718 12.625 ( 0.898 7.093 15.599) 17.160 12.929 ( 0.938 -10.425 7.515) 12.885 13.026 ( -2.421 -9.111 5.480) 10.904 14.512 ( 0.643 6.794 -3.748) 7.786 14.755 ( 1.256 -4.109 -1.941) 4.715 14.907 ( 1.434 26.132 2.234) 26.266 15.154 ( 1.370 11.094 -0.592) 11.194 15.438 ( 12.144 -2.896 12.896) 17.949 15.646 ( -12.745 -2.586 -12.934) 18.342 15.941 ( -12.909 -1.622 -15.474) 20.217 16.101 ( -0.326 -12.275 -0.957) 12.316 21.290 ( 6.775 1.558 6.696) 9.652 21.582 ( 8.967 -9.806 9.055) 16.080 22.244 ( -9.527 7.763 -9.876) 15.766 22.737 ( -7.448 -14.112 -7.644) 17.694 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 7.640 4.668 2.398) 9.269 2.313 ( 0.888 12.744 4.442) 13.525 2.471 ( 0.119 -3.247 -4.370) 5.446 2.563 ( -5.590 -3.932 -4.559) 8.216 2.752 ( -7.028 -1.901 0.715) 7.316 2.840 ( -0.926 -3.407 -2.605) 4.388 2.886 ( -2.057 -3.281 -2.905) 4.841 3.029 ( -2.088 -1.498 -5.023) 5.642 3.155 ( -2.849 -9.027 -0.553) 9.482 3.291 ( -12.636 -0.503 1.985) 12.801 3.318 ( 0.890 -9.132 -5.118) 10.506 3.587 ( -6.454 -9.503 1.045) 11.535 4.388 ( 10.102 4.932 -10.546) 15.414 4.481 ( 14.102 0.692 -12.919) 19.138 4.722 ( 12.231 13.100 3.527) 18.266 5.005 ( 14.962 17.856 0.719) 23.307 5.079 ( 11.781 -4.234 5.693) 13.753 5.211 ( 7.656 5.045 1.267) 9.256 5.407 ( 4.420 5.150 1.101) 6.876 5.466 ( 1.484 5.305 2.050) 5.877 5.671 ( 3.767 0.413 0.790) 3.871 5.855 ( 8.485 -6.141 9.665) 14.252 6.207 ( -5.615 13.028 -13.701) 19.722 6.352 ( -1.888 19.038 4.498) 19.653 6.631 ( -5.977 -10.451 -14.781) 19.064 6.697 ( -13.737 13.419 -12.928) 23.150 6.941 ( 10.070 -7.048 8.261) 14.810 7.204 ( -5.837 0.352 -8.657) 10.446 7.775 ( 8.517 2.096 -0.213) 8.774 7.878 ( 10.077 -5.624 7.901) 13.985 8.020 ( 2.445 18.949 -2.840) 19.316 8.075 ( 2.315 4.792 3.602) 6.426 8.271 ( -0.205 2.696 0.227) 2.713 8.684 ( -0.580 -3.394 6.067) 6.976 8.863 ( 2.544 2.286 10.079) 10.644 9.199 ( -3.068 -14.293 11.767) 18.766 9.224 ( 20.049 0.080 2.440) 20.197 9.303 ( 9.829 1.705 7.915) 12.734 9.660 ( -9.255 17.808 -16.668) 26.089 10.018 ( 4.423 -0.950 6.389) 7.829 10.219 ( 11.273 -15.034 -2.249) 18.926 10.409 ( -12.364 1.417 -12.481) 17.625 10.800 ( -9.594 -13.280 -8.039) 18.249 11.054 ( -13.070 -11.726 -8.388) 19.460 12.548 ( 5.019 8.253 11.907) 15.332 12.675 ( 3.844 4.677 15.994) 17.101 12.880 ( -3.935 -7.284 4.213) 9.289 13.013 ( -0.922 -8.009 12.033) 14.484 14.571 ( 5.845 7.001 -13.343) 16.162 14.804 ( 3.978 -2.749 -9.061) 10.271 14.928 ( 0.390 23.101 -0.285) 23.106 15.183 ( 1.864 13.854 -3.422) 14.392 15.368 ( -15.765 1.336 -18.864) 24.621 15.658 ( -3.435 -3.064 -6.616) 8.060 15.681 ( 0.184 -4.107 -2.704) 4.920 16.079 ( -2.276 -14.970 1.726) 15.240 21.433 ( 8.301 3.043 2.991) 9.334 21.790 ( 12.543 -11.527 5.695) 17.962 22.040 ( -11.455 8.185 -9.700) 17.097 22.560 ( -10.976 -14.714 -6.963) 19.633 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 2.359 2.211 0.156) 3.237 2.332 ( 1.753 1.470 -1.560) 2.769 2.458 ( -3.343 -2.308 -1.702) 4.404 2.467 ( -2.749 0.264 -4.571) 5.341 2.721 ( 4.236 -0.842 0.865) 4.404 2.814 ( -3.116 -2.002 -2.522) 4.480 2.882 ( 2.632 -0.376 0.162) 2.664 3.020 ( -10.921 -6.990 3.709) 13.486 3.022 ( 1.891 -1.516 -0.949) 2.602 3.098 ( -4.901 0.350 1.139) 5.043 3.383 ( 4.586 -12.170 -4.787) 13.858 3.478 ( -5.216 -11.227 -3.231) 12.794 4.586 ( 10.044 9.132 -6.291) 14.962 4.720 ( 1.292 6.408 -5.476) 8.527 4.826 ( 8.959 2.761 -5.945) 11.101 5.050 ( -9.831 -3.912 0.134) 10.582 5.372 ( 15.642 5.005 -11.579) 20.094 5.432 ( 16.525 7.038 -3.926) 18.386 5.499 ( 5.419 9.309 -3.189) 11.233 5.563 ( 4.429 3.863 0.870) 5.941 5.655 ( -4.842 3.026 -3.157) 6.524 5.908 ( -16.350 7.311 -22.913) 29.083 6.055 ( 3.367 -5.888 -4.255) 8.007 6.202 ( -9.697 11.942 0.803) 15.404 6.535 ( 0.244 3.928 -3.025) 4.963 6.577 ( -3.644 13.494 -4.634) 14.725 7.101 ( 5.865 -5.540 4.343) 9.162 7.160 ( -0.886 -2.562 -0.983) 2.884 7.894 ( 4.159 2.691 2.957) 5.769 7.957 ( -2.178 -0.994 4.133) 4.776 8.082 ( 4.893 4.510 3.351) 7.450 8.119 ( 1.477 2.530 1.729) 3.402 8.364 ( 8.542 10.730 1.209) 13.768 8.552 ( -10.117 7.023 3.603) 12.832 8.939 ( 5.383 -1.731 6.932) 8.946 9.077 ( -8.543 -6.411 8.224) 13.480 9.421 ( 4.877 6.418 4.900) 9.433 9.505 ( -1.833 12.995 -2.051) 13.283 9.692 ( 19.144 8.085 -6.047) 21.643 10.074 ( -17.691 7.619 -8.155) 20.917 10.257 ( 16.674 -10.870 6.388) 20.904 10.483 ( 13.777 -18.827 -7.236) 24.426 10.577 ( -14.279 -16.687 -1.563) 22.018 10.770 ( -15.858 -14.385 -8.046) 22.872 12.640 ( 4.576 5.955 11.284) 13.555 12.713 ( -1.943 3.024 12.673) 13.173 12.862 ( 3.741 -5.076 9.597) 11.483 12.959 ( -4.656 -6.725 12.772) 15.167 14.733 ( 10.496 7.501 -18.771) 22.777 14.899 ( -3.222 13.756 -9.221) 16.871 14.905 ( 5.056 3.767 -10.250) 12.034 15.076 ( -13.059 3.585 -17.631) 22.232 15.245 ( 5.036 12.302 -9.310) 16.229 15.404 ( -11.712 4.882 -17.500) 21.616 15.870 ( 8.899 -11.517 6.421) 15.908 16.007 ( -5.396 -14.330 3.877) 15.796 21.609 ( 10.071 5.646 -2.616) 11.838 21.815 ( -11.398 7.663 -7.293) 15.551 22.053 ( 14.267 -13.402 0.493) 19.581 22.323 ( -13.616 -14.541 -4.203) 20.359 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 -15.444 0.555) 15.454 2.151 ( 0.000 15.444 0.555) 15.454 2.392 ( 0.000 -14.526 9.325) 17.262 2.392 ( 0.000 14.526 9.325) 17.262 2.835 ( 0.000 -1.444 -5.746) 5.924 2.835 ( 0.000 1.444 -5.746) 5.924 3.155 ( 0.000 -3.498 -4.127) 5.410 3.155 ( 0.000 3.498 -4.127) 5.410 3.402 ( 0.000 -0.030 -13.873) 13.873 3.402 ( 0.000 0.030 -13.873) 13.873 3.571 ( 0.000 -5.211 -14.079) 15.012 3.571 ( 0.000 5.211 -14.079) 15.012 4.225 ( 0.000 -5.142 10.516) 11.706 4.225 ( 0.000 5.142 10.516) 11.706 4.549 ( 0.000 -1.332 5.501) 5.660 4.549 ( 0.000 1.332 5.501) 5.660 4.605 ( 0.000 -16.868 19.716) 25.947 4.605 ( 0.000 16.868 19.716) 25.947 5.414 ( 0.000 -5.720 3.374) 6.641 5.414 ( 0.000 5.720 3.374) 6.641 5.536 ( 0.000 -3.658 15.778) 16.197 5.536 ( 0.000 3.658 15.778) 16.197 6.287 ( 0.000 -5.847 -12.869) 14.135 6.287 ( 0.000 5.847 -12.869) 14.135 6.856 ( 0.000 -26.998 17.108) 31.962 6.856 ( 0.000 26.998 17.108) 31.962 7.135 ( 0.000 -1.806 11.895) 12.031 7.135 ( 0.000 1.806 11.895) 12.031 7.216 ( 0.000 -5.079 -1.966) 5.446 7.216 ( 0.000 5.079 -1.966) 5.446 8.007 ( 0.000 -5.115 9.816) 11.068 8.007 ( 0.000 5.115 9.816) 11.068 8.306 ( 0.000 -13.804 9.703) 16.873 8.306 ( 0.000 13.804 9.703) 16.873 8.990 ( 0.000 -8.476 -9.995) 13.105 8.990 ( 0.000 8.476 -9.995) 13.105 9.159 ( 0.000 -2.756 -0.628) 2.826 9.159 ( 0.000 2.756 -0.628) 2.826 9.602 ( 0.000 -3.460 9.224) 9.851 9.602 ( 0.000 3.460 9.224) 9.851 10.649 ( 0.000 -8.620 -16.872) 18.947 10.649 ( 0.000 8.620 -16.872) 18.947 11.208 ( 0.000 -8.675 -13.166) 15.767 11.208 ( 0.000 8.675 -13.166) 15.767 12.586 ( 0.000 -11.779 9.391) 15.064 12.586 ( 0.000 11.779 9.391) 15.064 12.867 ( 0.000 -11.724 6.993) 13.651 12.867 ( 0.000 11.724 6.993) 13.651 14.657 ( 0.000 -4.665 10.981) 11.931 14.657 ( 0.000 4.665 10.981) 11.931 15.164 ( 0.000 -0.656 9.053) 9.077 15.164 ( 0.000 0.656 9.053) 9.077 15.449 ( 0.000 -25.958 2.203) 26.052 15.449 ( 0.000 25.958 2.203) 26.052 16.156 ( 0.000 -2.857 -9.127) 9.563 16.156 ( 0.000 2.857 -9.127) 9.563 21.246 ( 0.000 -7.328 7.038) 10.161 21.246 ( 0.000 7.328 7.038) 10.161 22.625 ( 0.000 -11.166 -8.008) 13.740 22.625 ( 0.000 11.166 -8.008) 13.740 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 4.111 -16.429 0.499) 16.942 2.198 ( 4.111 16.429 0.499) 16.942 2.467 ( 6.658 -15.932 6.688) 18.517 2.467 ( 6.658 15.932 6.688) 18.517 2.848 ( 0.901 -0.520 -5.353) 5.454 2.848 ( 0.901 0.520 -5.353) 5.454 3.074 ( -8.552 -3.959 -2.360) 9.715 3.074 ( -8.552 3.959 -2.360) 9.715 3.330 ( -4.876 -4.029 -13.171) 14.611 3.330 ( -4.876 4.029 -13.171) 14.611 3.608 ( 1.360 -5.936 -12.661) 14.049 3.608 ( 1.360 5.936 -12.661) 14.049 4.248 ( 0.870 -2.316 12.055) 12.306 4.248 ( 0.870 2.316 12.055) 12.306 4.516 ( 3.302 -9.321 7.028) 12.131 4.516 ( 3.302 9.321 7.028) 12.131 4.729 ( 9.352 -10.968 9.935) 17.506 4.729 ( 9.352 10.968 9.935) 17.506 5.415 ( 0.968 -8.570 3.439) 9.285 5.415 ( 0.968 8.570 3.439) 9.285 5.590 ( 4.061 -5.798 14.660) 16.280 5.590 ( 4.061 5.798 14.660) 16.280 6.335 ( 5.169 -6.165 -9.022) 12.088 6.335 ( 5.169 6.165 -9.022) 12.088 6.748 ( -7.779 -17.120 13.857) 23.358 6.748 ( -7.779 17.120 13.857) 23.358 7.206 ( 6.863 -16.224 0.709) 17.630 7.206 ( 6.863 16.224 0.709) 17.630 7.416 ( 13.862 -3.082 2.861) 14.486 7.416 ( 13.862 3.082 2.861) 14.486 8.009 ( 2.037 -6.896 6.650) 9.794 8.009 ( 2.037 6.896 6.650) 9.794 8.289 ( -1.371 -11.706 9.214) 14.960 8.289 ( -1.371 11.706 9.214) 14.960 8.962 ( -2.181 -7.675 -5.975) 9.968 8.962 ( -2.181 7.675 -5.975) 9.968 9.093 ( -4.161 -3.045 4.193) 6.646 9.093 ( -4.161 3.045 4.193) 6.646 9.700 ( 7.638 -3.318 6.088) 10.315 9.700 ( 7.638 3.318 6.088) 10.315 10.576 ( -7.110 -10.749 -16.593) 21.010 10.576 ( -7.110 10.749 -16.593) 21.010 11.166 ( -4.431 -9.080 -12.799) 16.307 11.166 ( -4.431 9.080 -12.799) 16.307 12.618 ( 2.800 -11.572 9.277) 15.093 12.618 ( 2.800 11.572 9.277) 15.093 12.850 ( -1.347 -10.911 8.031) 13.615 12.850 ( -1.347 10.911 8.031) 13.615 14.647 ( -0.725 -5.410 6.362) 8.382 14.647 ( -0.725 5.410 6.362) 8.382 15.217 ( 5.073 -1.528 8.700) 10.186 15.217 ( 5.073 1.528 8.700) 10.186 15.448 ( -0.305 -24.777 1.589) 24.830 15.448 ( -0.305 24.777 1.589) 24.830 16.094 ( -6.273 -1.912 -10.297) 12.208 16.094 ( -6.273 1.912 -10.297) 12.208 21.283 ( 3.832 -7.378 7.581) 11.251 21.283 ( 3.832 7.378 7.581) 11.251 22.581 ( -4.595 -11.626 -8.342) 15.028 22.581 ( -4.595 11.626 -8.342) 15.028 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 4.298 -12.385 -0.328) 13.113 2.281 ( 4.298 12.385 -0.328) 13.113 2.594 ( 5.096 -14.871 4.229) 16.279 2.594 ( 5.096 14.871 4.229) 16.279 2.805 ( -7.497 -6.942 -1.906) 10.393 2.805 ( -7.497 6.942 -1.906) 10.393 2.907 ( -4.575 -3.765 -5.647) 8.185 2.907 ( -4.575 3.765 -5.647) 8.185 3.247 ( -4.458 -4.114 -10.041) 11.731 3.247 ( -4.458 4.114 -10.041) 11.731 3.561 ( -6.599 -6.452 -2.554) 9.576 3.561 ( -6.599 6.452 -2.554) 9.576 4.280 ( 5.117 -1.561 -0.360) 5.361 4.280 ( 5.117 1.561 -0.360) 5.361 4.701 ( 13.283 -8.681 1.752) 15.964 4.701 ( 13.283 8.681 1.752) 15.964 4.970 ( 15.673 -8.586 7.851) 19.519 4.970 ( 15.673 8.586 7.851) 19.519 5.451 ( 2.073 -6.904 2.339) 7.578 5.451 ( 2.073 6.904 2.339) 7.578 5.651 ( 2.416 -2.555 11.248) 11.785 5.651 ( 2.416 2.555 11.248) 11.785 6.477 ( 8.281 -7.464 -4.341) 11.964 6.477 ( 8.281 7.464 -4.341) 11.964 6.616 ( -5.303 -7.767 4.877) 10.594 6.616 ( -5.303 7.767 4.877) 10.594 7.269 ( -4.635 -16.765 -4.411) 17.944 7.269 ( -4.635 16.765 -4.411) 17.944 7.593 ( 7.647 -2.847 -2.523) 8.541 7.593 ( 7.647 2.847 -2.523) 8.541 8.136 ( 4.886 -6.326 -0.929) 8.047 8.136 ( 4.886 6.326 -0.929) 8.047 8.327 ( 10.210 -7.130 12.796) 17.856 8.327 ( 10.210 7.130 12.796) 17.856 8.967 ( 2.708 -7.443 9.266) 12.189 8.967 ( 2.708 7.443 9.266) 12.189 9.043 ( 0.572 -7.814 0.989) 7.897 9.043 ( 0.572 7.814 0.989) 7.897 9.831 ( 5.695 -4.819 3.253) 8.138 9.831 ( 5.695 4.819 3.253) 8.138 10.404 ( -10.285 -15.347 -15.457) 24.088 10.404 ( -10.285 15.347 -15.457) 24.088 11.036 ( -9.279 -9.882 -11.414) 17.721 11.036 ( -9.279 9.882 -11.414) 17.721 12.667 ( 1.963 -9.522 8.949) 13.214 12.667 ( 1.963 9.522 8.949) 13.214 12.837 ( 0.195 -7.941 10.570) 13.222 12.837 ( 0.195 7.941 10.570) 13.222 14.647 ( 1.202 -6.222 -2.966) 6.997 14.647 ( 1.202 6.222 -2.966) 6.997 15.333 ( 6.218 -5.623 5.925) 10.266 15.333 ( 6.218 5.623 5.925) 10.266 15.426 ( -2.287 -18.653 -0.747) 18.807 15.426 ( -2.287 18.653 -0.747) 18.807 15.935 ( -9.532 -2.474 -11.645) 15.251 15.935 ( -9.532 2.474 -11.645) 15.251 21.391 ( 7.440 -7.951 7.351) 13.138 21.391 ( 7.440 7.951 7.351) 13.138 22.454 ( -8.489 -12.660 -8.865) 17.633 22.454 ( -8.489 12.660 -8.865) 17.633 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 2.720 -5.478 -2.368) 6.559 2.353 ( 2.720 5.478 -2.368) 6.559 2.538 ( -7.606 -0.859 3.385) 8.369 2.538 ( -7.606 0.859 3.385) 8.369 2.779 ( 2.843 -8.019 -0.418) 8.519 2.779 ( 2.843 8.019 -0.418) 8.519 2.855 ( -1.286 -4.837 -2.048) 5.408 2.855 ( -1.286 4.837 -2.048) 5.408 3.143 ( -5.511 -6.000 -7.825) 11.296 3.143 ( -5.511 6.000 -7.825) 11.296 3.404 ( -8.307 -8.006 0.754) 11.561 3.404 ( -8.307 8.006 0.754) 11.561 4.461 ( 12.619 -2.462 -11.868) 17.496 4.461 ( 12.619 2.462 -11.868) 17.496 4.939 ( 9.107 -8.462 4.693) 13.288 4.939 ( 9.107 8.462 4.693) 13.288 5.244 ( 10.468 -3.924 0.240) 11.182 5.244 ( 10.468 3.924 0.240) 11.182 5.505 ( 6.012 -3.178 0.799) 6.847 5.505 ( 6.012 3.178 0.799) 6.847 5.707 ( 3.669 -4.936 5.146) 8.019 5.707 ( 3.669 4.936 5.146) 8.019 6.416 ( -12.447 -9.596 -22.253) 27.244 6.416 ( -12.447 9.596 -22.253) 27.244 6.707 ( 9.922 -13.485 10.338) 19.676 6.707 ( 9.922 13.485 10.338) 19.676 7.091 ( -9.218 -15.101 -3.800) 18.096 7.091 ( -9.218 15.101 -3.800) 18.096 7.775 ( 10.049 -1.362 4.676) 11.168 7.775 ( 10.049 1.362 4.676) 11.168 8.133 ( -2.117 -2.040 -1.694) 3.393 8.133 ( -2.117 2.040 -1.694) 3.393 8.566 ( 9.906 -12.397 8.199) 17.862 8.566 ( 9.906 12.397 8.199) 17.862 8.931 ( -4.705 -7.881 9.971) 13.553 8.931 ( -4.705 7.881 9.971) 13.553 9.272 ( 19.957 -4.193 3.884) 20.759 9.272 ( 19.957 4.193 3.884) 20.759 9.939 ( 6.607 -10.660 -2.495) 12.788 9.939 ( 6.607 10.660 -2.495) 12.788 10.201 ( -10.628 -17.537 -11.119) 23.327 10.201 ( -10.628 17.537 -11.119) 23.327 10.810 ( -14.369 -10.592 -8.956) 19.972 10.810 ( -14.369 10.592 -8.956) 19.972 12.703 ( 2.236 -6.413 9.655) 11.805 12.703 ( 2.236 6.413 9.655) 11.805 12.842 ( -0.296 -7.523 12.369) 14.480 12.842 ( -0.296 7.523 12.369) 14.480 14.707 ( 5.438 -6.059 -11.961) 14.469 14.707 ( 5.438 6.059 -11.961) 14.469 15.305 ( -8.902 -9.878 -10.407) 16.886 15.305 ( -8.902 9.878 -10.407) 16.886 15.470 ( 5.950 -12.146 4.262) 14.180 15.470 ( 5.950 12.146 4.262) 14.180 15.768 ( -7.163 -11.887 -7.644) 15.844 15.768 ( -7.163 11.887 -7.644) 15.844 21.564 ( 10.550 -9.498 4.164) 14.794 21.564 ( 10.550 9.498 4.164) 14.794 22.263 ( -11.321 -13.417 -8.398) 19.460 22.263 ( -11.321 13.417 -8.398) 19.460 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 1.260 -1.542 -0.898) 2.184 2.378 ( 1.260 1.542 -0.898) 2.184 2.434 ( -4.045 -3.368 0.697) 5.309 2.434 ( -4.045 3.368 0.697) 5.309 2.792 ( 1.381 -5.105 2.621) 5.903 2.792 ( 1.381 5.105 2.621) 5.903 2.845 ( -2.542 -4.579 0.279) 5.245 2.845 ( -2.542 4.579 0.279) 5.245 3.125 ( 4.541 -9.091 -5.940) 11.771 3.125 ( 4.541 9.091 -5.940) 11.771 3.254 ( -7.646 -9.018 -2.497) 12.084 3.254 ( -7.646 9.018 -2.497) 12.084 4.717 ( 13.367 -3.959 -8.626) 16.394 4.717 ( 13.367 3.959 -8.626) 16.394 4.937 ( -8.279 -6.305 2.134) 10.623 4.937 ( -8.279 6.305 2.134) 10.623 5.458 ( 12.889 -2.278 -8.891) 15.823 5.458 ( 12.889 2.278 -8.891) 15.823 5.612 ( -0.454 -0.974 -1.054) 1.505 5.612 ( -0.454 0.974 -1.054) 1.505 5.817 ( 9.979 -11.539 -5.486) 16.212 5.817 ( 9.979 11.539 -5.486) 16.212 6.100 ( -18.256 -9.322 -23.876) 31.468 6.100 ( -18.256 9.322 -23.876) 31.468 6.870 ( 6.954 -16.840 8.821) 20.242 6.870 ( 6.954 16.840 8.821) 20.242 6.975 ( -4.424 -16.837 4.030) 17.869 6.975 ( -4.424 16.837 4.030) 17.869 7.950 ( 8.104 -2.436 5.085) 9.872 7.950 ( 8.104 2.436 5.085) 9.872 8.074 ( -4.574 -2.271 0.286) 5.115 8.074 ( -4.574 2.271 0.286) 5.115 8.707 ( 6.031 -11.504 8.579) 15.567 8.707 ( 6.031 11.504 8.579) 15.567 8.823 ( -6.186 -10.078 9.742) 15.321 8.823 ( -6.186 10.078 9.742) 15.321 9.658 ( 18.172 -11.320 -1.554) 21.466 9.658 ( 18.172 11.320 -1.554) 21.466 9.946 ( -11.844 -20.404 -11.229) 26.128 9.946 ( -11.844 20.404 -11.229) 26.128 10.174 ( 13.739 -8.562 -1.590) 16.266 10.174 ( 13.739 8.562 -1.590) 16.266 10.497 ( -17.866 -10.667 -6.008) 21.658 10.497 ( -17.866 10.667 -6.008) 21.658 12.757 ( 3.258 -5.152 11.259) 12.803 12.757 ( 3.258 5.152 11.259) 12.803 12.815 ( -2.478 -6.761 12.483) 14.411 12.815 ( -2.478 6.761 12.483) 14.411 14.859 ( 10.332 -4.852 -17.795) 21.142 14.859 ( 10.332 4.852 -17.795) 21.142 15.086 ( -12.741 -3.546 -17.895) 22.252 15.086 ( -12.741 3.546 -17.895) 22.252 15.574 ( 4.928 -16.899 1.640) 17.680 15.574 ( 4.928 16.899 1.640) 17.680 15.662 ( -4.549 -17.925 -1.693) 18.570 15.662 ( -4.549 17.925 -1.693) 18.570 21.787 ( 12.506 -11.565 -1.074) 17.068 21.787 ( 12.506 11.565 -1.074) 17.068 22.031 ( -12.767 -13.102 -5.816) 19.196 22.031 ( -12.767 13.102 -5.816) 19.196 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 0.000 20.818) 20.818 2.009 ( 0.000 0.000 27.261) 27.261 2.512 ( 0.000 0.000 -3.312) 3.312 2.785 ( 0.000 0.000 -10.772) 10.772 2.914 ( 0.000 0.000 -10.138) 10.138 3.010 ( 0.000 0.000 -0.301) 0.301 3.088 ( 0.000 0.000 1.675) 1.675 3.146 ( 0.000 0.000 2.212) 2.212 3.287 ( 0.000 0.000 -7.412) 7.412 3.315 ( 0.000 0.000 -9.514) 9.514 3.551 ( 0.000 0.000 18.464) 18.464 3.768 ( 0.000 0.000 2.899) 2.899 3.928 ( 0.000 0.000 -1.276) 1.276 3.967 ( 0.000 0.000 -4.151) 4.151 4.465 ( 0.000 0.000 2.541) 2.541 4.612 ( 0.000 0.000 -8.443) 8.443 4.746 ( 0.000 0.000 17.593) 17.593 4.775 ( 0.000 0.000 30.026) 30.026 4.871 ( 0.000 0.000 9.473) 9.473 5.076 ( 0.000 0.000 16.343) 16.343 5.644 ( 0.000 0.000 -3.041) 3.041 5.814 ( 0.000 0.000 27.851) 27.851 5.843 ( 0.000 0.000 -13.048) 13.048 6.302 ( 0.000 0.000 -17.425) 17.425 6.394 ( 0.000 0.000 8.536) 8.536 6.991 ( 0.000 0.000 -1.971) 1.971 7.018 ( 0.000 0.000 -9.774) 9.774 7.174 ( 0.000 0.000 20.685) 20.685 7.210 ( 0.000 0.000 7.494) 7.494 7.706 ( 0.000 0.000 -2.813) 2.813 7.878 ( 0.000 0.000 -6.382) 6.382 8.138 ( 0.000 0.000 16.962) 16.962 8.285 ( 0.000 0.000 -5.885) 5.885 8.867 ( 0.000 0.000 -7.232) 7.232 9.028 ( 0.000 0.000 16.434) 16.434 9.029 ( 0.000 0.000 -15.726) 15.726 9.105 ( 0.000 0.000 5.642) 5.642 9.491 ( 0.000 0.000 -1.409) 1.409 9.816 ( 0.000 0.000 25.013) 25.013 9.891 ( 0.000 0.000 -19.114) 19.114 10.059 ( 0.000 0.000 12.674) 12.674 10.241 ( 0.000 0.000 -22.160) 22.160 10.920 ( 0.000 0.000 -13.538) 13.538 11.332 ( 0.000 0.000 -16.848) 16.848 12.517 ( 0.000 0.000 15.272) 15.272 12.974 ( 0.000 0.000 10.622) 10.622 13.175 ( 0.000 0.000 4.682) 4.682 13.295 ( 0.000 0.000 -9.225) 9.225 14.296 ( 0.000 0.000 6.949) 6.949 14.563 ( 0.000 0.000 2.160) 2.160 14.855 ( 0.000 0.000 10.014) 10.014 15.081 ( 0.000 0.000 15.159) 15.159 15.426 ( 0.000 0.000 18.426) 18.426 15.820 ( 0.000 0.000 -13.103) 13.103 16.029 ( 0.000 0.000 -13.908) 13.908 16.198 ( 0.000 0.000 -5.062) 5.062 21.342 ( 0.000 0.000 11.658) 11.658 21.942 ( 0.000 0.000 20.268) 20.268 22.115 ( 0.000 0.000 -12.417) 12.417 23.035 ( 0.000 0.000 -11.863) 11.863 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 4.744 0.000 18.507) 19.105 2.067 ( 5.924 0.000 25.132) 25.821 2.570 ( 3.847 0.000 -5.823) 6.979 2.762 ( -2.437 0.000 -9.746) 10.046 2.936 ( 1.237 0.000 -10.088) 10.164 3.035 ( 2.765 0.000 -1.169) 3.002 3.038 ( -3.847 0.000 2.778) 4.745 3.115 ( -2.395 0.000 -1.410) 2.780 3.285 ( -3.019 0.000 -9.819) 10.272 3.320 ( 2.962 0.000 -7.600) 8.157 3.548 ( 1.625 0.000 16.184) 16.266 3.836 ( 5.633 0.000 1.044) 5.729 3.918 ( -1.695 0.000 -0.051) 1.696 3.967 ( -0.312 0.000 -3.606) 3.620 4.415 ( -1.971 0.000 7.476) 7.732 4.647 ( -10.179 0.000 21.752) 24.016 4.724 ( 6.629 0.000 -3.204) 7.363 4.804 ( 5.792 0.000 21.513) 22.279 4.938 ( 6.976 0.000 9.705) 11.952 5.191 ( 10.273 0.000 13.309) 16.813 5.644 ( -0.148 0.000 -5.489) 5.491 5.698 ( -7.467 0.000 17.274) 18.819 5.910 ( 4.804 0.000 -8.274) 9.567 6.346 ( 5.248 0.000 -17.721) 18.482 6.436 ( -0.262 0.000 2.903) 2.915 6.867 ( -4.058 0.000 5.597) 6.913 6.938 ( -8.505 0.000 2.681) 8.918 7.209 ( 0.020 0.000 -2.656) 2.656 7.217 ( -6.271 0.000 3.571) 7.217 7.714 ( 1.004 0.000 -1.739) 2.008 7.908 ( 5.691 0.000 -0.885) 5.759 7.999 ( -9.313 0.000 13.531) 16.426 8.283 ( 1.793 0.000 -6.327) 6.576 8.890 ( 4.130 0.000 -5.510) 6.886 8.995 ( -5.928 0.000 13.016) 14.302 9.069 ( -7.597 0.000 -6.212) 9.814 9.135 ( 8.474 0.000 0.576) 8.494 9.457 ( 1.792 0.000 4.603) 4.939 9.854 ( -8.157 0.000 -9.434) 12.472 9.904 ( 8.401 0.000 18.842) 20.630 10.126 ( 9.436 0.000 3.309) 10.000 10.242 ( -0.029 0.000 -14.681) 14.682 10.959 ( 3.769 0.000 -13.618) 14.130 11.326 ( -0.767 0.000 -15.891) 15.910 12.507 ( -0.752 0.000 15.002) 15.021 12.933 ( -2.930 0.000 13.743) 14.052 13.227 ( 4.435 0.000 4.244) 6.139 13.262 ( -3.173 0.000 -7.589) 8.225 14.304 ( 0.736 0.000 6.378) 6.420 14.490 ( -7.667 0.000 4.527) 8.904 14.778 ( -5.372 0.000 4.028) 6.714 15.010 ( -6.571 0.000 11.368) 13.130 15.539 ( 5.621 0.000 9.786) 11.285 15.664 ( -9.609 0.000 -6.597) 11.655 15.922 ( -11.017 0.000 -15.723) 19.198 16.286 ( 6.482 0.000 -4.318) 7.788 21.389 ( 3.857 0.000 8.794) 9.603 21.982 ( 4.060 0.000 19.035) 19.463 22.051 ( -6.506 0.000 -12.136) 13.770 23.007 ( -2.932 0.000 -11.532) 11.899 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 1.617 0.000 13.649) 13.744 2.225 ( 10.112 0.000 18.798) 21.345 2.584 ( -1.962 0.000 -4.726) 5.117 2.685 ( -5.677 0.000 -7.066) 9.064 2.919 ( -3.509 0.000 -9.804) 10.413 2.936 ( -7.748 0.000 -2.592) 8.170 3.089 ( 0.441 0.000 -2.372) 2.413 3.111 ( 2.670 0.000 -2.357) 3.561 3.222 ( -1.864 0.000 -6.720) 6.973 3.387 ( 4.155 0.000 -6.798) 7.967 3.723 ( 16.838 0.000 4.846) 17.521 3.857 ( -3.828 0.000 1.643) 4.165 3.901 ( -0.452 0.000 -2.868) 2.904 3.952 ( -0.801 0.000 -2.790) 2.903 4.348 ( -6.757 0.000 15.499) 16.908 4.421 ( -10.407 0.000 18.435) 21.170 4.871 ( 10.713 0.000 1.947) 10.889 5.021 ( 14.961 0.000 7.680) 16.817 5.130 ( 12.574 0.000 10.024) 16.080 5.391 ( 9.095 0.000 9.782) 13.357 5.625 ( -1.302 0.000 5.080) 5.244 5.633 ( -1.043 0.000 -5.872) 5.964 5.932 ( -3.634 0.000 -8.589) 9.326 6.213 ( -22.948 0.000 -22.403) 32.070 6.438 ( -1.042 0.000 -1.809) 2.087 6.818 ( 3.079 0.000 1.607) 3.473 6.905 ( 5.721 0.000 11.138) 12.521 7.086 ( -0.608 0.000 5.600) 5.633 7.194 ( -2.437 0.000 -12.537) 12.771 7.751 ( 2.744 0.000 -0.672) 2.825 7.921 ( 1.867 0.000 8.151) 8.363 7.951 ( -2.042 0.000 -0.027) 2.042 8.381 ( 4.535 0.000 -10.753) 11.670 8.702 ( -21.056 0.000 -21.832) 30.331 8.945 ( -4.913 0.000 14.647) 15.449 9.066 ( 14.031 0.000 6.191) 15.336 9.318 ( 11.173 0.000 13.981) 17.896 9.476 ( -5.074 0.000 1.600) 5.320 9.689 ( -5.054 0.000 4.034) 6.466 10.094 ( 10.793 0.000 13.877) 17.580 10.158 ( -5.080 0.000 -16.878) 17.626 10.410 ( 14.968 0.000 6.463) 16.304 11.044 ( 4.459 0.000 -12.766) 13.523 11.294 ( -2.876 0.000 -12.558) 12.884 12.504 ( 0.838 0.000 13.958) 13.983 12.918 ( 2.206 0.000 17.578) 17.716 13.155 ( -6.964 0.000 -5.694) 8.995 13.333 ( 4.946 0.000 5.131) 7.127 14.294 ( -7.454 0.000 3.269) 8.139 14.336 ( -1.325 0.000 2.691) 3.000 14.697 ( -3.323 0.000 -1.118) 3.506 14.872 ( -6.954 0.000 2.496) 7.388 15.279 ( -19.906 0.000 -19.007) 27.523 15.633 ( -18.264 0.000 -19.364) 26.618 15.817 ( 12.955 0.000 16.254) 20.785 16.390 ( 3.981 0.000 -2.502) 4.702 21.443 ( 1.181 0.000 3.601) 3.790 21.881 ( -10.700 0.000 -11.603) 15.784 22.091 ( 7.232 0.000 15.329) 16.949 22.924 ( -5.733 0.000 -10.350) 11.832 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 2.669 0.000 5.013) 5.680 2.423 ( 9.495 0.000 7.943) 12.380 2.512 ( -6.455 0.000 -9.326) 11.342 2.581 ( -3.573 0.000 -0.743) 3.649 2.773 ( -7.833 0.000 2.466) 8.213 2.795 ( -8.980 0.000 -8.126) 12.111 3.027 ( -3.397 0.000 -0.097) 3.398 3.221 ( 8.483 0.000 -1.534) 8.621 3.232 ( 0.228 0.000 3.001) 3.010 3.460 ( 3.084 0.000 -10.338) 10.788 3.753 ( -4.678 0.000 0.421) 4.697 3.855 ( -2.277 0.000 -6.218) 6.622 3.946 ( 0.200 0.000 -6.900) 6.903 4.116 ( 0.524 0.000 18.402) 18.410 4.191 ( 10.704 0.000 -11.359) 15.608 4.321 ( 0.429 0.000 0.808) 0.915 5.112 ( 13.157 0.000 2.901) 13.473 5.310 ( 11.324 0.000 2.142) 11.525 5.360 ( 3.712 0.000 11.290) 11.885 5.463 ( -2.099 0.000 -1.030) 2.338 5.475 ( -14.791 0.000 -21.158) 25.815 5.644 ( 3.818 0.000 1.916) 4.272 5.772 ( -11.047 0.000 -2.769) 11.388 5.818 ( -9.321 0.000 -13.286) 16.229 6.403 ( 2.877 0.000 1.428) 3.212 7.008 ( 11.091 0.000 -5.594) 12.422 7.017 ( 6.551 0.000 12.193) 13.841 7.093 ( -7.999 0.000 -11.176) 13.744 7.195 ( 7.655 0.000 9.616) 12.291 7.752 ( -6.389 0.000 -7.445) 9.810 7.915 ( 0.302 0.000 -0.493) 0.578 8.057 ( 11.334 0.000 2.422) 11.590 8.354 ( -10.783 0.000 -15.832) 19.155 8.369 ( -5.203 0.000 -11.286) 12.428 8.871 ( -2.617 0.000 9.298) 9.659 9.271 ( -13.274 0.000 1.762) 13.390 9.333 ( 12.249 0.000 11.925) 17.095 9.549 ( 10.452 0.000 11.500) 15.540 9.666 ( 0.778 0.000 4.944) 5.005 10.021 ( -8.770 0.000 -9.947) 13.261 10.330 ( 14.941 0.000 14.903) 21.103 10.695 ( 14.108 0.000 3.285) 14.486 11.103 ( 1.104 0.000 -9.933) 9.994 11.198 ( -7.670 0.000 -6.338) 9.950 12.551 ( 4.265 0.000 11.356) 12.130 12.983 ( -4.632 0.000 9.363) 10.446 13.040 ( 3.891 0.000 5.280) 6.559 13.391 ( 0.595 0.000 6.845) 6.871 14.158 ( -4.085 0.000 -6.917) 8.033 14.344 ( -0.143 0.000 -0.675) 0.690 14.641 ( -2.603 0.000 -1.926) 3.238 14.774 ( -2.708 0.000 -7.009) 7.514 14.902 ( -18.208 0.000 -18.970) 26.294 15.269 ( -18.704 0.000 -21.588) 28.564 16.057 ( 11.792 0.000 11.820) 16.696 16.429 ( -0.081 0.000 -0.168) 0.187 21.437 ( -1.175 0.000 -1.565) 1.957 21.670 ( -10.681 0.000 -10.986) 15.322 22.250 ( 9.168 0.000 9.513) 13.212 22.791 ( -8.069 0.000 -7.805) 11.226 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 7.608 0.000 -6.234) 9.836 2.344 ( -9.922 0.000 -12.525) 15.979 2.548 ( 3.911 0.000 -4.372) 5.866 2.573 ( 2.427 0.000 5.511) 6.021 2.634 ( -6.482 0.000 -7.295) 9.759 2.652 ( -5.276 0.000 7.161) 8.895 3.047 ( 5.440 0.000 8.262) 9.892 3.175 ( -6.082 0.000 8.220) 10.225 3.406 ( 9.226 0.000 -3.377) 9.825 3.495 ( -0.135 0.000 -11.460) 11.461 3.701 ( 1.093 0.000 5.291) 5.403 3.859 ( -13.960 0.000 11.989) 18.402 3.860 ( 2.747 0.000 -8.577) 9.006 3.925 ( -2.969 0.000 -8.689) 9.183 4.471 ( 15.781 0.000 -17.614) 23.650 4.649 ( 25.007 0.000 -17.394) 30.462 4.898 ( -27.588 0.000 -25.853) 37.808 5.097 ( -20.361 0.000 -18.051) 27.211 5.379 ( 10.386 0.000 6.408) 12.203 5.543 ( -3.600 0.000 1.380) 3.856 5.601 ( 8.625 0.000 1.867) 8.825 5.644 ( 3.896 0.000 8.744) 9.572 5.708 ( 0.438 0.000 5.971) 5.987 5.725 ( -4.610 0.000 -0.883) 4.694 6.574 ( 13.814 0.000 -10.398) 17.290 6.864 ( -14.640 0.000 -13.656) 20.020 7.156 ( 7.284 0.000 12.966) 14.872 7.223 ( 11.516 0.000 -2.469) 11.778 7.257 ( -1.975 0.000 12.589) 12.744 7.491 ( -16.502 0.000 -10.273) 19.439 8.010 ( 9.337 0.000 -4.226) 10.249 8.213 ( -10.414 0.000 -8.010) 13.138 8.270 ( 8.172 0.000 -3.064) 8.728 8.318 ( 2.030 0.000 -3.172) 3.766 8.866 ( 3.303 0.000 4.453) 5.544 9.022 ( -11.952 0.000 2.067) 12.129 9.532 ( 8.497 0.000 12.148) 14.825 9.635 ( -1.385 0.000 9.857) 9.954 9.714 ( 4.639 0.000 1.983) 5.045 9.846 ( -8.775 0.000 -3.207) 9.343 10.664 ( 18.719 0.000 10.685) 21.554 10.929 ( 10.099 0.000 -0.663) 10.120 10.989 ( -14.342 0.000 2.040) 14.487 11.071 ( -4.581 0.000 -5.418) 7.095 12.664 ( 7.383 0.000 7.377) 10.437 12.823 ( -8.898 0.000 3.486) 9.557 13.202 ( 9.092 0.000 12.240) 15.247 13.346 ( -5.306 0.000 9.478) 10.862 14.162 ( 4.463 0.000 -14.676) 15.340 14.287 ( -6.355 0.000 -11.995) 13.574 14.605 ( -0.672 0.000 -2.570) 2.657 14.651 ( -6.896 0.000 -8.519) 10.960 14.789 ( 4.665 0.000 -14.922) 15.634 14.958 ( -13.008 0.000 -20.150) 23.984 16.256 ( 8.764 0.000 7.031) 11.236 16.384 ( -4.592 0.000 2.942) 5.454 21.429 ( 1.142 0.000 -6.278) 6.381 21.501 ( -6.494 0.000 -9.513) 11.518 22.434 ( 9.917 0.000 2.746) 10.290 22.621 ( -9.537 0.000 -3.395) 10.123 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 -2.659 20.148) 20.322 2.010 ( 0.000 8.504 18.471) 20.335 2.642 ( 0.000 8.599 -4.016) 9.491 2.656 ( 0.000 -10.776 -11.699) 15.906 2.873 ( 0.000 -4.462 -8.348) 9.465 2.986 ( 0.000 -2.891 -4.006) 4.941 2.997 ( 0.000 -14.446 -5.143) 15.334 3.046 ( 0.000 0.224 0.783) 0.814 3.162 ( 0.000 -8.663 -5.254) 10.132 3.308 ( 0.000 0.311 -2.928) 2.944 3.482 ( 0.000 -4.212 0.677) 4.267 3.825 ( 0.000 -6.236 -5.237) 8.143 4.001 ( 0.000 16.269 17.168) 23.651 4.173 ( 0.000 9.496 -2.817) 9.905 4.518 ( 0.000 3.636 7.815) 8.620 4.596 ( 0.000 -0.697 -3.445) 3.515 4.705 ( 0.000 3.131 31.865) 32.018 5.031 ( 0.000 17.139 17.498) 24.493 5.119 ( 0.000 19.033 10.572) 21.773 5.154 ( 0.000 11.849 9.523) 15.201 5.647 ( 0.000 2.246 6.128) 6.527 5.772 ( 0.000 -4.391 -11.568) 12.373 5.798 ( 0.000 -0.787 19.709) 19.725 6.242 ( 0.000 -5.359 -15.838) 16.720 6.654 ( 0.000 19.948 1.840) 20.033 6.915 ( 0.000 -12.800 23.932) 27.140 7.016 ( 0.000 2.740 -0.890) 2.881 7.046 ( 0.000 -0.247 -22.183) 22.185 7.423 ( 0.000 9.533 14.500) 17.353 7.654 ( 0.000 -5.478 -4.227) 6.919 7.907 ( 0.000 2.794 -6.177) 6.779 8.156 ( 0.000 3.374 21.429) 21.693 8.241 ( 0.000 -3.344 -3.256) 4.667 8.838 ( 0.000 -8.964 -5.984) 10.778 8.858 ( 0.000 -0.871 -8.913) 8.956 9.016 ( 0.000 -2.795 19.741) 19.938 9.287 ( 0.000 7.651 -4.795) 9.029 9.431 ( 0.000 -6.176 -0.858) 6.236 9.834 ( 0.000 1.395 24.450) 24.490 9.862 ( 0.000 -3.525 -11.841) 12.354 10.057 ( 0.000 1.573 3.521) 3.857 10.295 ( 0.000 5.019 -21.645) 22.219 10.876 ( 0.000 -3.782 -13.942) 14.446 11.291 ( 0.000 -4.280 -16.117) 16.676 12.528 ( 0.000 1.283 14.315) 14.373 12.927 ( 0.000 -3.094 11.555) 11.962 13.117 ( 0.000 -5.701 4.569) 7.307 13.238 ( 0.000 -5.160 -7.276) 8.920 14.481 ( 0.000 17.273 5.951) 18.269 14.669 ( 0.000 7.829 6.950) 10.468 14.932 ( 0.000 7.866 4.700) 9.163 15.061 ( 0.000 -1.923 15.321) 15.441 15.425 ( 0.000 -0.257 16.989) 16.991 15.837 ( 0.000 1.635 -13.073) 13.175 16.017 ( 0.000 -1.186 -13.899) 13.949 16.124 ( 0.000 -7.344 -4.293) 8.506 21.317 ( 0.000 -1.464 12.520) 12.605 21.865 ( 0.000 -7.176 19.285) 20.577 22.140 ( 0.000 2.551 -12.646) 12.901 22.938 ( 0.000 -9.136 -11.964) 15.053 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 7.293 -1.755 18.175) 19.662 2.073 ( 5.159 7.977 15.683) 18.336 2.625 ( -2.586 -4.689 -7.987) 9.616 2.652 ( -0.630 -0.836 -8.602) 8.666 2.885 ( 0.377 -5.362 -7.031) 8.850 2.951 ( -2.659 -9.467 -4.268) 10.719 2.988 ( -1.600 -4.311 -3.805) 5.969 3.084 ( 3.244 1.235 -1.157) 3.659 3.149 ( -1.397 -7.860 -0.871) 8.031 3.297 ( 0.340 -3.142 -10.194) 10.672 3.484 ( 0.684 -4.203 0.902) 4.353 3.792 ( -3.047 -5.470 -4.804) 7.892 4.042 ( 5.469 14.356 10.045) 18.356 4.285 ( 8.371 13.595 3.135) 16.271 4.488 ( -2.506 6.611 10.969) 13.050 4.648 ( -1.273 -0.606 10.355) 10.451 4.716 ( 4.709 2.905 17.011) 17.888 4.917 ( -6.091 10.753 16.363) 20.505 5.175 ( 3.054 21.039 6.826) 22.329 5.227 ( 8.188 5.609 13.711) 16.926 5.646 ( -3.625 -0.191 -4.913) 6.108 5.728 ( 2.294 1.349 18.113) 18.307 5.893 ( 7.346 2.533 -6.207) 9.945 6.276 ( 3.455 -5.981 -15.579) 17.042 6.643 ( -5.203 15.302 -7.353) 17.756 6.871 ( -1.423 -3.723 17.233) 17.688 6.924 ( -6.132 1.436 1.499) 6.474 7.058 ( -2.264 -3.436 -14.802) 15.363 7.452 ( -2.706 11.199 2.781) 11.853 7.674 ( 2.219 -4.130 -3.750) 6.004 7.922 ( 5.507 1.330 2.359) 6.137 8.000 ( -11.037 2.848 16.781) 20.286 8.253 ( 2.636 -2.616 -4.871) 6.126 8.848 ( 3.165 -3.947 0.131) 5.061 8.988 ( -2.095 -1.312 12.666) 12.905 8.996 ( 6.527 -3.143 0.138) 7.246 9.256 ( -6.147 5.871 -5.181) 9.955 9.408 ( 2.817 -4.462 2.594) 5.880 9.836 ( -2.477 -1.383 -1.228) 3.092 9.943 ( 2.167 2.979 6.213) 7.223 10.070 ( 8.753 -5.386 10.709) 14.842 10.283 ( -1.774 4.556 -19.625) 20.224 10.891 ( 1.472 -5.819 -13.940) 15.177 11.280 ( -1.263 -4.800 -15.279) 16.065 12.529 ( 0.366 2.320 13.890) 14.087 12.900 ( -1.805 -2.149 13.547) 13.834 13.162 ( 2.928 -6.319 2.431) 7.376 13.215 ( -1.219 -4.120 -3.944) 5.833 14.485 ( 0.151 16.682 5.763) 17.650 14.577 ( -8.710 6.924 7.691) 13.526 14.884 ( -3.303 10.192 0.236) 10.716 14.988 ( -6.815 -2.100 11.707) 13.708 15.531 ( 6.433 -0.924 10.806) 12.610 15.673 ( -11.152 0.848 -8.586) 14.100 15.910 ( -10.977 -1.137 -15.686) 19.179 16.215 ( 6.267 -6.994 -3.900) 10.168 21.361 ( 3.709 -1.798 10.050) 10.862 21.902 ( 3.812 -7.336 18.053) 19.856 22.078 ( -6.238 2.753 -12.313) 14.075 22.908 ( -3.123 -9.327 -11.637) 15.237 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.336 9.057 10.691) 14.205 2.199 ( 10.262 -2.486 12.910) 16.678 2.549 ( -4.641 -7.445 -5.439) 10.323 2.604 ( -4.324 -2.438 -7.508) 9.000 2.859 ( -3.951 -4.865 -4.283) 7.591 2.913 ( 0.195 -9.162 -2.397) 9.472 2.937 ( -3.858 -0.307 -6.859) 7.875 3.066 ( -4.477 -4.207 -0.381) 6.155 3.184 ( 3.439 -2.064 -4.291) 5.874 3.323 ( 2.291 -7.278 -11.042) 13.422 3.550 ( 4.890 -9.226 -1.645) 10.571 3.729 ( -2.502 -3.668 -6.684) 8.024 4.166 ( 4.643 15.525 3.905) 16.668 4.372 ( -7.517 6.124 11.850) 15.311 4.397 ( 0.063 10.721 19.595) 22.336 4.507 ( -5.559 16.857 5.654) 18.629 4.883 ( 11.562 1.184 1.470) 11.715 5.011 ( 13.023 3.108 12.687) 18.445 5.267 ( 7.020 9.642 6.140) 13.414 5.397 ( 8.925 5.248 12.361) 16.125 5.598 ( 0.084 -2.543 -3.992) 4.734 5.832 ( 5.039 11.811 4.717) 13.680 5.971 ( 0.333 5.725 -4.654) 7.385 6.278 ( -21.641 3.895 -16.835) 27.693 6.389 ( -3.354 -1.888 -14.336) 14.844 6.778 ( -3.815 -3.264 0.524) 5.048 6.970 ( -0.038 6.248 2.390) 6.690 6.998 ( 5.216 -4.834 0.257) 7.116 7.406 ( -0.151 14.486 -1.502) 14.564 7.720 ( 2.174 -0.939 -3.182) 3.967 7.885 ( 1.335 -1.213 8.300) 8.494 8.004 ( 1.871 3.577 3.958) 5.654 8.356 ( 3.553 -1.892 -6.634) 7.760 8.807 ( -12.626 5.711 -7.962) 15.982 8.961 ( -3.077 2.860 10.640) 11.439 9.057 ( 11.320 -0.493 4.132) 12.061 9.299 ( 9.868 -2.459 9.082) 13.634 9.435 ( -3.060 -2.738 0.593) 4.149 9.686 ( -7.581 -0.688 4.460) 8.823 10.062 ( 7.720 -1.873 9.810) 12.623 10.219 ( -4.370 4.003 -13.132) 14.407 10.307 ( 13.648 -8.923 5.457) 17.195 10.924 ( 1.667 -10.390 -12.999) 16.724 11.235 ( -3.736 -6.224 -12.358) 14.333 12.551 ( 2.162 4.520 12.727) 13.677 12.900 ( 2.493 -1.224 16.176) 16.412 13.109 ( -5.787 -4.318 -3.778) 8.149 13.282 ( 4.795 -4.768 5.170) 8.512 14.370 ( -9.907 6.131 3.155) 12.070 14.507 ( 0.554 16.452 3.063) 16.744 14.819 ( -4.952 8.147 2.000) 9.741 14.855 ( -4.837 1.553 -1.006) 5.179 15.300 ( -19.342 1.876 -18.469) 26.809 15.623 ( -18.088 -0.898 -19.202) 26.395 15.787 ( 11.831 -3.076 14.980) 19.335 16.312 ( 3.622 -7.711 -2.276) 8.818 21.420 ( 1.890 -1.464 5.063) 5.599 21.913 ( -10.166 3.263 -11.402) 15.620 22.007 ( 6.566 -7.901 14.170) 17.503 22.820 ( -6.004 -9.783 -10.497) 15.554 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.989 8.683 4.348) 9.912 2.365 ( 4.896 -4.964 6.271) 9.378 2.484 ( -3.259 -4.343 -5.200) 7.518 2.510 ( -2.981 -5.462 -4.822) 7.872 2.749 ( -6.322 0.053 1.085) 6.414 2.827 ( -7.311 1.665 -6.007) 9.608 2.943 ( 0.629 -6.796 0.602) 6.851 3.029 ( 4.614 -8.752 -0.420) 9.903 3.218 ( -0.555 -1.628 0.496) 1.790 3.385 ( 3.753 -8.014 -10.069) 13.405 3.526 ( -6.039 -10.704 -1.007) 12.331 3.726 ( -2.352 -10.477 -7.571) 13.139 4.194 ( -5.609 3.191 4.718) 7.994 4.222 ( 5.898 3.908 -6.179) 9.394 4.433 ( -4.178 26.851 -2.877) 27.326 4.520 ( 10.501 19.512 4.569) 22.625 5.134 ( 12.336 2.431 1.133) 12.624 5.257 ( 7.850 1.897 8.782) 11.931 5.384 ( 2.345 -2.320 -2.904) 4.395 5.516 ( -0.790 3.614 -1.938) 4.177 5.634 ( 1.130 -0.625 -4.571) 4.750 5.706 ( -18.108 -0.938 -13.006) 22.314 5.821 ( -6.009 28.421 -0.044) 29.050 6.038 ( 4.599 11.986 2.699) 13.119 6.381 ( 0.103 -0.905 -0.858) 1.251 6.728 ( -2.892 -16.307 -9.371) 19.029 6.991 ( 3.537 0.222 -1.031) 3.691 7.138 ( 5.508 -0.227 6.735) 8.703 7.445 ( 4.537 19.244 0.734) 19.785 7.771 ( 2.579 1.110 -6.066) 6.684 8.021 ( 9.936 0.132 -0.025) 9.937 8.042 ( 2.725 6.643 4.145) 8.291 8.308 ( -6.487 -2.294 -2.944) 7.484 8.517 ( -13.685 12.332 -15.034) 23.778 8.941 ( 0.116 5.262 7.181) 8.903 9.242 ( -8.684 -0.571 0.632) 8.726 9.337 ( 11.064 -0.821 8.270) 13.838 9.530 ( 10.222 -2.672 8.606) 13.626 9.617 ( -0.962 -4.112 9.268) 10.185 10.048 ( -8.764 3.014 -9.097) 12.986 10.291 ( 12.575 -3.509 12.368) 17.983 10.560 ( 12.389 -12.879 2.437) 18.036 10.939 ( -0.552 -14.405 -10.072) 17.585 11.125 ( -8.090 -7.692 -7.069) 13.213 12.614 ( 4.352 5.769 10.732) 12.938 12.971 ( -3.961 -0.958 8.836) 9.730 13.011 ( 4.317 -2.603 6.382) 8.132 13.340 ( 0.744 -4.802 6.919) 8.454 14.229 ( -3.948 6.239 -6.548) 9.869 14.506 ( -1.586 14.886 -2.021) 15.106 14.717 ( -3.797 0.590 -2.675) 4.682 14.808 ( -1.291 9.884 -5.806) 11.536 14.937 ( -16.982 3.306 -17.569) 24.657 15.263 ( -18.417 -0.277 -21.342) 28.191 16.007 ( 10.810 -5.044 10.860) 16.132 16.347 ( -0.100 -8.118 -0.148) 8.120 21.434 ( 0.082 0.252 -0.367) 0.452 21.707 ( -10.545 3.871 -10.876) 15.636 22.154 ( 8.593 -8.984 8.811) 15.237 22.682 ( -8.251 -10.228 -8.068) 15.420 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 4.625 5.616 -4.273) 8.438 2.346 ( -6.872 -0.137 -9.614) 11.818 2.437 ( 3.508 -6.494 6.633) 9.923 2.506 ( -1.981 -7.271 1.764) 7.740 2.664 ( -1.791 2.731 -1.515) 3.600 2.696 ( -5.101 4.217 -4.284) 7.884 3.011 ( 6.803 -4.153 7.166) 10.718 3.150 ( -6.107 -2.631 6.516) 9.309 3.191 ( 10.402 -12.064 1.726) 16.022 3.385 ( -8.263 -12.588 -1.030) 15.093 3.465 ( 3.846 -9.234 -8.155) 12.906 3.581 ( -8.918 -9.621 -4.722) 13.942 4.209 ( 5.122 11.795 -7.389) 14.831 4.322 ( -5.662 20.505 -7.020) 22.401 4.458 ( 16.865 1.592 -19.737) 26.009 4.741 ( 5.388 6.910 -15.352) 17.677 4.971 ( -14.144 8.243 -19.640) 25.568 5.180 ( -18.345 5.772 -19.902) 27.676 5.405 ( 9.891 3.508 5.992) 12.085 5.545 ( -4.897 1.699 3.276) 6.132 5.580 ( 8.008 -1.576 5.601) 9.899 5.673 ( -1.288 -0.318 5.822) 5.972 5.904 ( 9.045 24.163 8.391) 27.130 6.047 ( -4.487 21.829 6.567) 23.233 6.464 ( 8.447 -9.718 -4.885) 13.771 6.631 ( -7.441 -17.112 -6.969) 19.919 7.081 ( 5.381 -1.316 -3.059) 6.328 7.167 ( -2.379 0.326 1.703) 2.944 7.571 ( 8.199 20.398 1.564) 22.040 7.739 ( -7.584 14.388 -5.687) 17.230 8.050 ( 4.077 6.114 1.521) 7.504 8.188 ( -7.487 -1.356 0.583) 7.631 8.248 ( 9.759 -1.841 -5.194) 11.207 8.362 ( -3.332 3.819 -7.007) 8.648 8.955 ( 1.836 7.334 3.541) 8.349 9.048 ( -8.317 3.155 1.863) 9.088 9.570 ( 8.960 2.309 9.526) 13.280 9.620 ( 1.144 -6.318 5.591) 8.514 9.645 ( 4.604 -2.149 5.262) 7.314 9.845 ( -11.793 2.416 -2.894) 12.381 10.594 ( 17.510 -6.712 9.534) 21.036 10.767 ( 9.109 -15.433 -1.923) 18.023 10.879 ( -7.916 -13.230 -1.782) 15.520 10.927 ( -10.686 -10.867 -3.529) 15.644 12.714 ( 6.022 4.641 7.876) 10.947 12.840 ( -7.050 1.790 4.576) 8.593 13.165 ( 8.537 -3.389 12.022) 15.129 13.300 ( -4.943 -4.317 9.451) 11.506 14.240 ( 5.129 6.683 -14.958) 17.167 14.398 ( -9.503 9.198 -15.186) 20.137 14.689 ( 0.476 4.033 -4.678) 6.195 14.726 ( -4.508 6.761 -6.279) 10.269 14.817 ( 2.997 7.152 -11.119) 13.556 14.961 ( -12.242 1.487 -19.240) 22.853 16.189 ( 8.010 -6.685 6.425) 12.252 16.306 ( -4.192 -7.771 2.685) 9.229 21.450 ( 2.212 2.325 -5.442) 6.318 21.536 ( -6.939 3.656 -9.056) 11.980 22.329 ( 9.522 -9.897 2.173) 13.905 22.512 ( -9.459 -10.339 -3.819) 14.524 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.000 6.203 8.140) 10.234 2.219 ( 0.000 8.922 9.663) 13.152 2.443 ( 0.000 -7.077 -7.908) 10.612 2.716 ( 0.000 -6.635 -1.535) 6.810 2.766 ( 0.000 -5.101 -7.479) 9.053 2.774 ( 0.000 -2.848 -3.876) 4.810 2.913 ( 0.000 -2.943 -7.144) 7.726 2.979 ( 0.000 -6.806 -13.522) 15.138 3.112 ( 0.000 5.050 -2.103) 5.470 3.299 ( 0.000 -1.327 -3.988) 4.203 3.394 ( 0.000 -2.992 -0.854) 3.111 3.658 ( 0.000 -9.809 -5.276) 11.138 4.263 ( 0.000 7.318 6.656) 9.893 4.295 ( 0.000 3.419 -3.897) 5.185 4.572 ( 0.000 1.699 10.580) 10.716 4.595 ( 0.000 0.287 4.140) 4.150 4.898 ( 0.000 14.795 39.481) 42.162 5.258 ( 0.000 3.379 6.367) 7.209 5.381 ( 0.000 12.736 9.067) 15.634 5.492 ( 0.000 4.972 12.014) 13.002 5.674 ( 0.000 -0.776 18.788) 18.804 5.748 ( 0.000 4.759 3.980) 6.204 6.103 ( 0.000 -6.846 -14.913) 16.409 6.163 ( 0.000 39.036 1.149) 39.053 6.598 ( 0.000 -17.803 18.584) 25.736 6.966 ( 0.000 6.325 -12.663) 14.155 7.052 ( 0.000 0.127 -18.309) 18.309 7.180 ( 0.000 14.790 10.698) 18.254 7.451 ( 0.000 -15.578 -4.656) 16.259 7.522 ( 0.000 -0.170 15.686) 15.687 7.998 ( 0.000 6.237 -7.367) 9.652 8.190 ( 0.000 -1.366 -0.833) 1.600 8.326 ( 0.000 12.612 26.897) 29.707 8.687 ( 0.000 -5.709 -2.645) 6.292 8.836 ( 0.000 -1.134 -10.371) 10.433 8.926 ( 0.000 -5.793 15.872) 16.896 9.246 ( 0.000 -10.715 -2.244) 10.947 9.267 ( 0.000 -9.385 0.928) 9.430 9.834 ( 0.000 2.010 -0.528) 2.079 9.860 ( 0.000 1.012 22.342) 22.365 10.139 ( 0.000 6.138 -9.863) 11.617 10.386 ( 0.000 1.107 -20.404) 20.434 10.822 ( 0.000 0.908 -14.037) 14.067 11.152 ( 0.000 -9.047 -14.302) 16.923 12.588 ( 0.000 5.119 10.994) 12.128 12.906 ( 0.000 1.572 9.700) 9.826 12.950 ( 0.000 -10.084 4.039) 10.863 13.112 ( 0.000 -6.627 -1.391) 6.771 14.808 ( 0.000 5.789 14.065) 15.210 14.934 ( 0.000 22.515 4.264) 22.915 15.012 ( 0.000 -0.092 14.955) 14.956 15.143 ( 0.000 10.844 1.046) 10.894 15.406 ( 0.000 -1.920 12.871) 13.014 15.882 ( 0.000 2.553 -13.196) 13.441 15.889 ( 0.000 -15.852 -2.133) 15.995 15.983 ( 0.000 -2.069 -13.915) 14.068 21.328 ( 0.000 3.320 13.485) 13.888 21.674 ( 0.000 -10.817 17.076) 20.214 22.231 ( 0.000 6.772 -13.118) 14.763 22.694 ( 0.000 -13.701 -12.339) 18.438 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 5.894 4.915 7.086) 10.446 2.289 ( 5.781 9.296 7.848) 13.469 2.424 ( -1.979 -6.494 -8.642) 10.990 2.701 ( -1.530 -3.762 -3.749) 5.527 2.777 ( -0.010 -4.718 -5.707) 7.405 2.782 ( -0.281 -0.834 -4.484) 4.569 2.921 ( 0.757 -3.771 -8.347) 9.191 2.962 ( -1.142 -7.285 -6.979) 10.153 3.132 ( 2.279 0.836 -3.658) 4.390 3.227 ( -6.771 -3.531 -5.527) 9.427 3.395 ( 0.303 -2.311 -1.441) 2.740 3.650 ( -0.719 -8.391 -5.681) 10.159 4.285 ( 5.640 8.228 1.775) 10.132 4.424 ( 8.963 1.671 2.143) 9.366 4.599 ( 0.515 2.925 15.745) 16.023 4.630 ( 2.776 0.362 6.995) 7.534 4.896 ( 1.380 12.456 31.373) 33.783 5.136 ( -11.792 7.543 13.632) 19.539 5.341 ( 4.218 6.854 7.555) 11.038 5.548 ( -2.858 -4.458 2.829) 6.003 5.613 ( 1.265 9.924 2.288) 10.262 5.865 ( 6.743 7.533 16.957) 19.742 6.128 ( 4.629 -0.498 -13.472) 14.254 6.228 ( 4.011 27.766 -0.161) 28.055 6.651 ( 5.120 -14.717 16.935) 23.013 6.853 ( -12.035 3.819 -17.169) 21.312 6.941 ( -7.899 0.018 -14.590) 16.591 7.230 ( 1.637 16.375 3.513) 16.828 7.501 ( 5.901 -12.568 -4.271) 14.527 7.590 ( -0.838 1.265 4.442) 4.694 7.952 ( 2.612 2.657 -0.421) 3.750 8.163 ( -3.572 -1.944 -0.268) 4.076 8.262 ( -0.790 16.550 18.794) 25.054 8.751 ( 3.308 -4.919 11.825) 13.228 8.928 ( 2.546 -4.000 10.036) 11.100 8.952 ( 8.880 -2.166 -3.061) 9.639 9.197 ( -3.150 -8.086 -1.027) 8.739 9.323 ( 3.562 -8.085 2.976) 9.323 9.828 ( -0.649 1.944 -1.353) 2.456 9.942 ( 6.303 -3.253 13.632) 15.367 10.058 ( -6.443 6.126 -4.274) 9.864 10.362 ( -2.512 -0.052 -19.391) 19.553 10.795 ( -2.716 -0.561 -13.789) 14.066 11.127 ( -2.702 -9.779 -13.890) 17.201 12.611 ( 2.380 5.910 10.585) 12.355 12.886 ( -0.941 0.510 9.765) 9.823 12.994 ( 2.821 -8.641 3.527) 9.750 13.109 ( 0.287 -6.018 1.058) 6.117 14.703 ( -9.404 6.311 11.415) 16.080 14.915 ( -5.293 1.492 8.940) 10.495 14.954 ( -1.854 19.864 5.434) 20.677 15.144 ( 0.001 13.237 0.813) 13.262 15.490 ( 6.362 -3.499 10.457) 12.731 15.678 ( -12.387 -1.785 -9.799) 15.895 15.879 ( -10.508 -1.663 -15.379) 18.700 16.009 ( 4.717 -11.997 -4.371) 13.612 21.363 ( 3.203 2.898 11.847) 12.610 21.707 ( 3.313 -11.061 15.971) 19.708 22.176 ( -5.588 7.201 -12.789) 15.705 22.658 ( -3.705 -14.084 -12.003) 18.872 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 7.590 1.511 4.713) 9.061 2.367 ( -2.536 3.160 -3.155) 5.135 2.387 ( 2.740 3.053 -1.418) 4.340 2.618 ( -7.645 3.050 -3.042) 8.775 2.752 ( 0.990 -5.716 -3.568) 6.811 2.790 ( 0.337 -2.622 -2.396) 3.568 2.909 ( -3.461 -3.251 -7.362) 8.761 2.960 ( -0.489 -6.566 -2.271) 6.964 3.088 ( -4.806 -8.293 -8.319) 12.692 3.186 ( 2.485 -4.413 -4.944) 7.078 3.409 ( 0.307 -2.359 -2.318) 3.322 3.630 ( -1.735 -6.270 -6.825) 9.429 4.368 ( -4.152 5.188 6.623) 9.382 4.431 ( -11.409 1.732 16.355) 20.017 4.607 ( 8.995 9.129 14.301) 19.203 4.745 ( 11.785 1.917 -3.090) 12.333 5.006 ( 9.892 10.727 12.302) 19.085 5.132 ( 10.101 6.584 10.297) 15.856 5.399 ( -0.345 3.802 2.214) 4.413 5.515 ( 2.137 -0.862 1.303) 2.648 5.655 ( 1.405 9.915 -0.361) 10.021 5.934 ( 1.050 -1.920 10.427) 10.655 6.196 ( -12.784 10.609 -10.953) 19.899 6.268 ( 6.975 0.658 -10.659) 12.756 6.556 ( -9.279 12.514 -3.909) 16.062 6.742 ( -9.515 6.903 -9.454) 15.085 6.835 ( 8.256 -9.356 0.045) 12.478 7.200 ( -3.663 11.521 2.545) 12.354 7.555 ( 4.050 1.099 -5.558) 6.964 7.683 ( 10.416 -5.989 -4.394) 12.794 8.049 ( 1.132 7.603 3.333) 8.378 8.075 ( -0.162 7.569 6.000) 9.660 8.352 ( 4.231 6.914 7.815) 11.260 8.804 ( 3.390 -3.349 17.022) 17.677 9.029 ( 9.514 -2.967 5.447) 11.357 9.082 ( -2.835 5.706 5.542) 8.445 9.196 ( 9.415 -6.811 1.390) 11.703 9.388 ( 3.065 -5.636 3.668) 7.390 9.693 ( -12.814 4.702 -6.293) 15.030 10.028 ( 4.203 -3.715 5.255) 7.686 10.074 ( 6.311 -7.204 7.563) 12.204 10.295 ( -4.269 -1.652 -15.952) 16.596 10.721 ( -4.918 -4.977 -12.606) 14.418 11.047 ( -5.756 -11.439 -12.096) 17.615 12.675 ( 4.117 7.070 10.108) 13.004 12.891 ( 1.774 0.149 10.555) 10.704 13.002 ( -1.785 -4.922 2.537) 5.818 13.155 ( 3.828 -7.172 5.545) 9.840 14.511 ( -9.477 7.210 3.812) 12.503 14.769 ( -7.868 -4.712 3.555) 9.836 14.939 ( -1.348 23.244 0.583) 23.290 15.144 ( -0.032 16.737 -0.318) 16.740 15.343 ( -17.363 1.833 -16.485) 24.012 15.610 ( -16.212 0.478 -17.501) 23.861 15.683 ( 8.253 -7.376 10.842) 15.494 16.074 ( 2.190 -15.413 -2.206) 15.724 21.427 ( 3.089 3.064 7.677) 8.824 21.793 ( 5.543 -11.995 12.514) 18.199 22.029 ( -9.363 8.277 -11.899) 17.255 22.557 ( -6.793 -14.978 -10.921) 19.742 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 3.947 0.143 2.623) 4.742 2.313 ( -1.675 -0.689 -2.927) 3.442 2.429 ( -0.069 5.911 -5.240) 7.900 2.491 ( -3.387 3.848 2.370) 5.648 2.754 ( -4.082 0.004 -1.284) 4.279 2.804 ( -1.308 -5.724 -0.817) 5.928 2.837 ( 2.843 -3.875 -0.539) 4.836 2.934 ( 0.258 0.420 -2.636) 2.682 3.089 ( 2.597 -12.386 -9.501) 15.825 3.215 ( 0.169 -8.302 -2.962) 8.816 3.343 ( -7.787 -2.847 2.134) 8.561 3.559 ( -6.478 -7.284 -4.457) 10.718 4.256 ( -2.070 2.755 -0.225) 3.453 4.279 ( -0.135 1.858 -4.374) 4.754 4.826 ( 6.872 14.381 6.003) 17.032 4.941 ( 6.068 13.962 -5.771) 16.281 5.213 ( 8.945 3.274 3.355) 10.099 5.306 ( -0.260 -0.246 5.594) 5.605 5.345 ( 0.567 3.489 -5.971) 6.938 5.570 ( 2.973 -0.136 5.316) 6.092 5.672 ( -0.110 4.499 -8.263) 9.409 5.737 ( -19.195 6.025 -17.969) 26.975 6.025 ( 3.895 -10.030 5.654) 12.154 6.276 ( -5.736 -13.654 -12.573) 19.427 6.517 ( 0.602 32.227 5.066) 32.629 6.647 ( 1.755 13.747 3.766) 14.361 7.022 ( 8.385 -1.902 0.036) 8.598 7.145 ( -0.662 2.835 4.874) 5.677 7.712 ( 9.919 2.823 -6.441) 12.159 7.870 ( 7.611 2.571 -9.449) 12.402 8.031 ( 1.365 5.348 3.932) 6.776 8.143 ( 3.153 -0.186 3.314) 4.578 8.353 ( -1.333 13.580 8.640) 16.151 8.797 ( -7.070 11.252 3.274) 13.686 9.021 ( 0.165 2.557 6.299) 6.800 9.267 ( 12.404 -6.035 5.215) 14.747 9.349 ( -4.209 11.377 -12.067) 17.110 9.429 ( 4.017 -4.694 7.316) 9.576 9.533 ( 4.006 -4.566 12.308) 13.725 10.108 ( -0.019 -0.765 -1.560) 1.737 10.195 ( 6.854 -12.829 0.160) 14.546 10.229 ( 1.198 -9.743 -0.573) 9.833 10.612 ( -6.422 -12.430 -10.202) 17.316 10.904 ( -9.352 -13.024 -7.999) 17.919 12.760 ( 4.490 7.636 9.666) 13.111 12.946 ( 0.401 -2.783 3.220) 4.275 12.968 ( 2.030 0.667 12.954) 13.129 13.208 ( 0.993 -7.777 7.232) 10.666 14.378 ( -3.607 7.805 -5.899) 10.427 14.653 ( -3.511 -4.860 -5.264) 7.978 14.847 ( -10.520 13.995 -11.235) 20.803 15.023 ( -13.574 3.778 -13.706) 19.657 15.147 ( 0.013 19.951 -1.060) 19.979 15.314 ( -12.491 9.036 -14.981) 21.496 15.843 ( 7.919 -11.274 7.971) 15.917 16.093 ( -0.282 -16.770 -0.335) 16.776 21.479 ( 2.665 4.917 2.127) 5.984 21.838 ( -10.031 9.006 -10.636) 17.171 21.914 ( 7.013 -13.339 7.168) 16.688 22.406 ( -8.745 -15.799 -8.754) 20.068 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.311 -0.483 -0.445) 0.727 2.318 ( -0.954 2.450 0.631) 2.704 2.413 ( 1.767 0.169 -2.300) 2.905 2.467 ( -2.231 4.215 1.097) 4.893 2.710 ( 0.935 2.431 -0.584) 2.669 2.760 ( -3.314 1.458 -0.601) 3.670 2.916 ( 6.299 -3.203 3.966) 8.103 3.026 ( 7.060 -4.860 0.177) 8.573 3.090 ( -9.352 -2.816 2.460) 10.072 3.129 ( -3.595 -10.404 -0.082) 11.008 3.272 ( 3.309 -9.269 -4.441) 10.797 3.399 ( -8.760 -9.298 -3.675) 13.293 4.369 ( 12.718 4.885 -15.168) 20.388 4.436 ( 15.429 0.656 -19.427) 24.817 4.686 ( -16.009 10.689 -13.688) 23.620 4.840 ( -21.322 2.338 -19.901) 29.260 5.205 ( 4.320 10.535 -6.400) 13.061 5.283 ( -1.272 4.999 -12.473) 13.497 5.512 ( 7.775 3.414 4.088) 9.424 5.551 ( 1.239 0.057 3.786) 3.984 5.635 ( 0.414 6.361 3.577) 7.309 5.666 ( -2.804 2.301 0.159) 3.631 6.112 ( 3.647 -13.540 3.551) 14.466 6.171 ( -3.680 -15.185 -1.398) 15.687 6.575 ( 4.917 28.580 6.017) 29.618 6.657 ( -2.348 22.977 7.647) 24.329 7.122 ( 3.940 2.632 -2.378) 5.301 7.171 ( 0.205 -1.389 2.586) 2.942 7.864 ( 5.504 4.084 -4.648) 8.281 7.928 ( -1.008 6.969 -5.684) 9.049 8.103 ( 5.016 -6.578 -0.695) 8.302 8.171 ( -0.939 -3.598 0.844) 3.813 8.400 ( 7.074 22.489 4.451) 23.992 8.593 ( -11.881 20.974 1.245) 24.137 9.069 ( 4.044 1.588 5.570) 7.064 9.180 ( -7.861 7.024 1.214) 10.612 9.433 ( 5.898 -6.580 0.870) 8.879 9.511 ( -0.623 -3.410 1.232) 3.679 9.715 ( 13.237 4.541 5.358) 14.985 9.965 ( -11.631 5.461 -3.480) 13.312 10.342 ( 7.278 -22.511 -2.718) 23.814 10.407 ( 14.251 -12.088 4.142) 19.141 10.482 ( -6.843 -19.480 -6.346) 21.600 10.686 ( -13.416 -13.437 -1.604) 19.056 12.837 ( 3.616 6.876 8.739) 11.693 12.900 ( -2.978 4.212 6.830) 8.559 13.077 ( 6.485 -4.941 11.283) 13.920 13.181 ( -3.783 -7.021 9.284) 12.239 14.394 ( 5.505 7.801 -14.563) 17.414 14.581 ( -13.006 7.693 -18.868) 24.173 14.659 ( 3.443 -4.135 -12.455) 13.567 14.801 ( -10.427 -1.718 -14.621) 18.040 15.151 ( 0.498 21.783 -1.877) 21.869 15.177 ( -2.922 20.544 -5.135) 21.377 15.976 ( 5.839 -14.352 4.584) 16.158 16.061 ( -3.085 -16.307 1.813) 16.695 21.544 ( 4.551 7.436 -3.510) 9.398 21.663 ( -7.879 9.085 -7.909) 14.393 22.063 ( 8.422 -15.116 0.677) 17.317 22.232 ( -9.211 -15.955 -4.937) 19.073 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 0.000 -9.560 -3.831) 10.299 2.152 ( 0.000 9.560 -3.831) 10.299 2.551 ( 0.000 -10.348 6.059) 11.992 2.551 ( 0.000 10.348 6.059) 11.992 2.705 ( 0.000 -0.487 -5.473) 5.495 2.705 ( 0.000 0.487 -5.473) 5.495 2.900 ( 0.000 -1.828 -13.121) 13.248 2.900 ( 0.000 1.828 -13.121) 13.248 3.226 ( 0.000 -5.521 -3.726) 6.661 3.226 ( 0.000 5.521 -3.726) 6.661 3.457 ( 0.000 -8.533 -3.470) 9.212 3.457 ( 0.000 8.533 -3.470) 9.212 4.328 ( 0.000 -0.262 -1.970) 1.987 4.328 ( 0.000 0.262 -1.970) 1.987 4.594 ( 0.000 -0.535 9.574) 9.589 4.594 ( 0.000 0.535 9.574) 9.589 5.191 ( 0.000 -10.871 24.181) 26.512 5.191 ( 0.000 10.871 24.181) 26.512 5.479 ( 0.000 -1.455 8.869) 8.988 5.479 ( 0.000 1.455 8.869) 8.988 5.783 ( 0.000 -7.344 5.625) 9.251 5.783 ( 0.000 7.344 5.625) 9.251 6.202 ( 0.000 -18.272 7.804) 19.869 6.202 ( 0.000 18.272 7.804) 19.869 6.938 ( 0.000 -27.295 -7.683) 28.355 6.938 ( 0.000 27.295 -7.683) 28.355 7.054 ( 0.000 -3.990 -8.957) 9.806 7.054 ( 0.000 3.990 -8.957) 9.806 7.435 ( 0.000 -8.331 15.141) 17.282 7.435 ( 0.000 8.331 15.141) 17.282 8.133 ( 0.000 -5.538 -3.941) 6.797 8.133 ( 0.000 5.538 -3.941) 6.797 8.577 ( 0.000 -8.633 16.472) 18.597 8.577 ( 0.000 8.633 16.472) 18.597 8.824 ( 0.000 -1.615 -1.024) 1.912 8.824 ( 0.000 1.615 -1.024) 1.912 9.110 ( 0.000 -0.940 -2.389) 2.568 9.110 ( 0.000 0.940 -2.389) 2.568 9.869 ( 0.000 -0.445 14.694) 14.701 9.869 ( 0.000 0.445 14.694) 14.701 10.295 ( 0.000 -8.067 -18.282) 19.982 10.295 ( 0.000 8.067 -18.282) 19.982 10.949 ( 0.000 -9.794 -13.568) 16.733 10.949 ( 0.000 9.794 -13.568) 16.733 12.741 ( 0.000 -9.555 6.456) 11.532 12.741 ( 0.000 9.555 6.456) 11.532 12.984 ( 0.000 -5.548 4.730) 7.290 12.984 ( 0.000 5.548 4.730) 7.290 14.915 ( 0.000 -4.732 15.401) 16.112 14.915 ( 0.000 4.732 15.401) 16.112 15.316 ( 0.000 -4.996 6.521) 8.215 15.316 ( 0.000 4.996 6.521) 8.215 15.482 ( 0.000 -22.830 0.985) 22.851 15.482 ( 0.000 22.830 0.985) 22.851 15.935 ( 0.000 -2.581 -13.596) 13.838 15.935 ( 0.000 2.581 -13.596) 13.838 21.460 ( 0.000 -9.229 14.725) 17.378 21.460 ( 0.000 9.229 14.725) 17.378 22.423 ( 0.000 -11.922 -12.911) 17.574 22.423 ( 0.000 11.922 -12.911) 17.574 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 3.448 -8.990 -4.194) 10.503 2.191 ( 3.448 8.990 -4.194) 10.503 2.574 ( 1.841 -9.269 3.596) 10.111 2.574 ( 1.841 9.269 3.596) 10.111 2.733 ( 2.402 -2.318 -4.037) 5.238 2.733 ( 2.402 2.318 -4.037) 5.238 2.897 ( -1.419 -2.669 -12.489) 12.850 2.897 ( -1.419 2.669 -12.489) 12.850 3.147 ( -6.593 -3.476 -2.622) 7.901 3.147 ( -6.593 3.476 -2.622) 7.901 3.472 ( 1.165 -8.135 -4.356) 9.301 3.472 ( 1.165 8.135 -4.356) 9.301 4.399 ( 7.178 -3.467 -0.999) 8.034 4.399 ( 7.178 3.467 -0.999) 8.034 4.631 ( 2.124 -0.888 12.732) 12.939 4.631 ( 2.124 0.888 12.732) 12.939 5.128 ( -4.692 -7.952 23.652) 25.390 5.128 ( -4.692 7.952 23.652) 25.390 5.451 ( -0.264 -3.713 1.417) 3.983 5.451 ( -0.264 3.713 1.417) 3.983 5.811 ( 1.560 -9.331 4.773) 10.597 5.811 ( 1.560 9.331 4.773) 10.597 6.297 ( 8.545 -16.559 8.449) 20.460 6.297 ( 8.545 16.559 8.449) 20.460 6.785 ( -13.671 -12.478 -11.495) 21.789 6.785 ( -13.671 12.478 -11.495) 21.789 7.120 ( 6.437 -19.562 -5.843) 21.407 7.120 ( 6.437 19.562 -5.843) 21.407 7.522 ( 3.401 -8.780 7.807) 12.231 7.522 ( 3.401 8.780 7.807) 12.231 8.052 ( -2.517 -6.513 -4.071) 8.083 8.052 ( -2.517 6.513 -4.071) 8.083 8.621 ( 2.893 -11.841 23.298) 26.294 8.621 ( 2.893 11.841 23.298) 26.294 8.881 ( 5.598 -2.597 -1.222) 6.291 8.881 ( 5.598 2.597 -1.222) 6.291 9.136 ( 2.506 -4.606 -0.093) 5.244 9.136 ( 2.506 4.606 -0.093) 5.244 9.885 ( 1.052 -2.699 10.864) 11.243 9.885 ( 1.052 2.699 10.864) 11.243 10.236 ( -5.563 -9.834 -16.840) 20.279 10.236 ( -5.563 9.834 -16.840) 20.279 10.913 ( -3.692 -10.001 -13.324) 17.064 10.913 ( -3.692 10.001 -13.324) 17.064 12.768 ( 2.445 -9.073 6.105) 11.206 12.768 ( 2.445 9.073 6.105) 11.206 12.988 ( 0.683 -5.182 5.811) 7.816 12.988 ( 0.683 5.182 5.811) 7.816 14.823 ( -8.244 -5.468 11.721) 15.338 14.823 ( -8.244 5.468 11.721) 15.338 15.355 ( 2.679 -6.509 4.960) 8.611 15.355 ( 2.679 6.509 4.960) 8.611 15.467 ( -1.728 -17.672 0.389) 17.761 15.467 ( -1.728 17.672 0.389) 17.761 15.863 ( -6.767 -1.293 -13.045) 14.752 15.863 ( -6.767 1.293 -13.045) 14.752 21.490 ( 2.931 -9.189 13.564) 16.644 21.490 ( 2.931 9.189 13.564) 16.644 22.378 ( -4.612 -12.417 -12.551) 18.248 22.378 ( -4.612 12.417 -12.551) 18.248 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 3.100 -5.480 -3.926) 7.420 2.257 ( 3.100 5.480 -3.926) 7.420 2.614 ( 1.935 -8.696 -0.549) 8.926 2.614 ( 1.935 8.696 -0.549) 8.926 2.759 ( -2.167 -10.146 -3.052) 10.815 2.759 ( -2.167 10.146 -3.052) 10.815 2.808 ( -4.422 -4.676 -5.629) 8.550 2.808 ( -4.422 4.676 -5.629) 8.550 3.064 ( -1.711 -4.961 -4.624) 6.994 3.064 ( -1.711 4.961 -4.624) 6.994 3.484 ( -0.595 -7.180 -4.607) 8.552 3.484 ( -0.595 7.180 -4.607) 8.552 4.436 ( -8.845 -1.531 12.874) 15.695 4.436 ( -8.845 1.531 12.874) 15.695 4.720 ( 13.221 -3.184 2.745) 13.873 4.720 ( 13.221 3.184 2.745) 13.873 5.174 ( 9.346 -3.881 11.595) 15.390 5.174 ( 9.346 3.881 11.595) 15.390 5.478 ( 1.768 -3.915 -0.818) 4.373 5.478 ( 1.768 3.915 -0.818) 4.373 5.816 ( -1.027 -7.096 3.691) 8.064 5.816 ( -1.027 7.096 3.691) 8.064 6.303 ( -16.273 -0.731 -14.913) 22.085 6.303 ( -16.273 0.731 -14.913) 22.085 6.653 ( 8.264 -6.229 3.182) 10.827 6.653 ( 8.264 6.229 3.182) 10.827 7.178 ( -2.934 -18.957 -1.968) 19.284 7.178 ( -2.934 18.957 -1.968) 19.284 7.573 ( 7.262 -3.466 -1.788) 8.243 7.573 ( 7.262 3.466 -1.788) 8.243 8.098 ( 3.195 -2.664 -1.426) 4.397 8.098 ( 3.195 2.664 -1.426) 4.397 8.686 ( 4.430 -12.605 21.717) 25.497 8.686 ( 4.430 12.605 21.717) 25.497 9.022 ( 8.442 -6.720 2.182) 11.009 9.022 ( 8.442 6.720 2.182) 11.009 9.202 ( 5.104 -7.291 7.180) 11.435 9.202 ( 5.104 7.291 7.180) 11.435 9.867 ( -4.006 -8.627 -2.122) 9.745 9.867 ( -4.006 8.627 -2.122) 9.745 10.133 ( -3.633 -9.014 -8.220) 12.729 10.133 ( -3.633 9.014 -8.220) 12.729 10.810 ( -7.147 -10.459 -12.063) 17.492 10.810 ( -7.147 10.459 -12.063) 17.492 12.819 ( 2.800 -6.626 6.580) 9.749 12.819 ( 2.800 6.626 6.580) 9.749 13.016 ( 2.054 -5.558 7.394) 9.475 13.016 ( 2.054 5.558 7.394) 9.475 14.653 ( -8.550 -6.496 3.772) 11.381 14.653 ( -8.550 6.496 3.772) 11.381 15.296 ( -10.807 -7.884 -9.744) 16.550 15.296 ( -10.807 7.884 -9.744) 16.550 15.473 ( 3.283 -12.964 4.925) 14.251 15.473 ( 3.283 12.964 4.925) 14.251 15.737 ( -4.856 -14.121 -7.593) 16.752 15.737 ( -4.856 14.121 -7.593) 16.752 21.560 ( 4.197 -9.733 10.036) 14.597 21.560 ( 4.197 9.733 10.036) 14.597 22.255 ( -8.007 -13.589 -11.494) 19.516 22.255 ( -8.007 13.589 -11.494) 19.516 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 2.103 -1.336 -2.596) 3.598 2.306 ( 2.103 1.336 -2.596) 3.598 2.554 ( -6.870 -6.889 -1.256) 9.810 2.554 ( -6.870 6.889 -1.256) 9.810 2.752 ( 4.026 -4.149 -1.919) 6.091 2.752 ( 4.026 4.149 -1.919) 6.091 2.815 ( 2.805 -8.655 -2.629) 9.470 2.815 ( 2.805 8.655 -2.629) 9.470 3.036 ( -1.804 -6.936 -1.872) 7.407 3.036 ( -1.804 6.936 -1.872) 7.407 3.410 ( -7.692 -6.641 -1.077) 10.219 3.410 ( -7.692 6.641 -1.077) 10.219 4.293 ( -1.400 -0.596 -2.614) 3.025 4.293 ( -1.400 0.596 -2.614) 3.025 5.021 ( 15.005 -4.696 3.724) 16.157 5.021 ( 15.005 4.696 3.724) 16.157 5.254 ( -9.427 -3.300 -4.210) 10.839 5.254 ( -9.427 3.300 -4.210) 10.839 5.513 ( 4.981 -6.470 -0.911) 8.216 5.513 ( 4.981 6.470 -0.911) 8.216 5.796 ( -0.408 -9.662 1.234) 9.749 5.796 ( -0.408 9.662 1.234) 9.749 5.966 ( -12.320 -14.304 -16.207) 24.881 5.966 ( -12.320 14.304 -16.207) 24.881 6.880 ( 11.481 -10.296 8.058) 17.400 6.880 ( 11.481 10.296 8.058) 17.400 7.091 ( -3.662 -14.153 2.830) 14.891 7.091 ( -3.662 14.153 2.830) 14.891 7.778 ( 11.532 -5.666 -5.453) 13.958 7.778 ( 11.532 5.666 -5.453) 13.958 8.097 ( -2.647 -2.602 -0.490) 3.744 8.097 ( -2.647 2.602 -0.490) 3.744 8.781 ( 5.252 -16.604 13.176) 21.838 8.781 ( 5.252 16.604 13.176) 21.838 9.108 ( -0.696 -7.564 8.337) 11.278 9.108 ( -0.696 7.564 8.337) 11.278 9.392 ( 13.739 -4.304 6.405) 15.758 9.392 ( 13.739 4.304 6.405) 15.758 9.759 ( -5.323 -22.412 -14.456) 27.195 9.759 ( -5.323 22.412 -14.456) 27.195 10.110 ( 0.941 -2.407 1.603) 3.041 10.110 ( 0.941 2.407 1.603) 3.041 10.640 ( -10.578 -11.111 -8.769) 17.670 10.640 ( -10.578 11.111 -8.769) 17.670 12.881 ( 3.856 -3.861 8.324) 9.953 12.881 ( 3.856 3.861 8.324) 9.953 13.047 ( 0.686 -7.004 8.290) 10.874 13.047 ( 0.686 7.004 8.290) 10.874 14.531 ( -3.428 -6.932 -5.518) 9.500 14.531 ( -3.428 6.932 -5.518) 9.500 15.014 ( -16.666 -4.132 -17.706) 24.664 15.014 ( -16.666 4.132 -17.706) 24.664 15.544 ( 3.688 -17.771 3.507) 18.486 15.544 ( 3.688 17.771 3.507) 18.486 15.681 ( -1.714 -22.323 -2.262) 22.502 15.681 ( -1.714 22.323 -2.262) 22.502 21.648 ( 5.068 -11.375 4.573) 13.266 21.648 ( 5.068 11.375 4.573) 13.266 22.085 ( -9.421 -14.619 -9.589) 19.860 22.085 ( -9.421 14.619 -9.589) 19.860 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 3.419 -3.528 -0.821) 4.981 2.353 ( 3.419 3.528 -0.821) 4.981 2.439 ( -5.277 -6.123 -0.143) 8.084 2.439 ( -5.277 6.123 -0.143) 8.084 2.816 ( 3.270 -5.386 0.344) 6.310 2.816 ( 3.270 5.386 0.344) 6.310 2.873 ( -0.785 -11.375 2.344) 11.640 2.873 ( -0.785 11.375 2.344) 11.640 3.046 ( 6.090 -4.830 -1.645) 7.945 3.046 ( 6.090 4.830 -1.645) 7.945 3.224 ( -10.540 -6.020 -0.612) 12.153 3.224 ( -10.540 6.020 -0.612) 12.153 4.431 ( 15.230 -1.407 -18.570) 24.058 4.431 ( 15.230 1.407 -18.570) 24.058 4.828 ( -24.301 -3.669 -17.937) 30.426 4.828 ( -24.301 3.669 -17.937) 30.426 5.331 ( 12.911 -3.055 -1.587) 13.362 5.331 ( 12.911 3.055 -1.587) 13.362 5.530 ( -6.459 -2.815 -3.166) 7.725 5.530 ( -6.459 2.815 -3.166) 7.725 5.814 ( 3.506 -4.352 1.876) 5.895 5.814 ( 3.506 4.352 1.876) 5.895 5.871 ( -1.692 -5.226 0.219) 5.497 5.871 ( -1.692 5.226 0.219) 5.497 7.029 ( 4.018 -8.555 6.583) 11.519 7.029 ( 4.018 8.555 6.583) 11.519 7.063 ( -0.232 -7.864 4.729) 9.179 7.063 ( -0.232 7.864 4.729) 9.179 7.954 ( 6.407 -6.210 -5.263) 10.359 7.954 ( 6.407 6.210 -5.263) 10.359 8.037 ( -3.192 -6.514 -1.992) 7.523 8.037 ( -3.192 6.514 -1.992) 7.523 8.892 ( 6.578 -17.603 10.319) 21.438 8.892 ( 6.578 17.603 10.319) 21.438 9.026 ( -6.774 -15.689 10.957) 20.300 9.026 ( -6.774 15.689 10.957) 20.300 9.610 ( 7.511 -13.240 -3.685) 15.662 9.610 ( 7.511 13.241 -3.685) 15.662 9.695 ( -2.409 -23.453 -13.480) 27.158 9.695 ( -2.409 23.453 -13.480) 27.158 10.194 ( 8.664 -6.558 2.976) 11.267 10.194 ( 8.664 6.558 2.976) 11.267 10.413 ( -12.744 -11.106 -2.999) 17.168 10.413 ( -12.744 11.106 -2.999) 17.168 12.962 ( 4.320 -4.671 9.371) 11.327 12.962 ( 4.320 4.672 9.371) 11.327 13.031 ( -2.434 -6.680 9.151) 11.588 13.031 ( -2.434 6.680 9.151) 11.588 14.543 ( 4.959 -6.574 -13.618) 15.914 14.543 ( 4.959 6.574 -13.618) 15.914 14.719 ( -13.119 -5.526 -18.260) 23.153 14.719 ( -13.119 5.526 -18.260) 23.153 15.607 ( 2.821 -21.258 1.671) 21.509 15.607 ( 2.821 21.258 1.671) 21.509 15.651 ( -1.795 -23.194 0.004) 23.263 15.651 ( -1.795 23.194 0.004) 23.263 21.760 ( 6.797 -13.384 -1.413) 15.077 21.760 ( 6.797 13.384 -1.413) 15.077 21.909 ( -8.736 -14.649 -6.343) 18.197 21.909 ( -8.736 14.649 -6.343) 18.197 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 0.000 0.000 11.583) 11.583 2.402 ( 0.000 0.000 -7.343) 7.343 2.456 ( 0.000 0.000 18.879) 18.879 2.725 ( 0.000 0.000 5.299) 5.299 2.735 ( 0.000 0.000 -10.470) 10.470 2.948 ( 0.000 0.000 -15.442) 15.442 3.022 ( 0.000 0.000 2.733) 2.733 3.133 ( 0.000 0.000 -8.366) 8.366 3.147 ( 0.000 0.000 3.735) 3.735 3.210 ( 0.000 0.000 -2.506) 2.506 3.823 ( 0.000 0.000 8.962) 8.962 3.826 ( 0.000 0.000 3.094) 3.094 3.890 ( 0.000 0.000 -3.684) 3.684 3.910 ( 0.000 0.000 -1.387) 1.387 4.471 ( 0.000 0.000 -3.252) 3.252 4.473 ( 0.000 0.000 -1.403) 1.403 4.991 ( 0.000 0.000 6.867) 6.867 5.011 ( 0.000 0.000 4.079) 4.079 5.350 ( 0.000 0.000 11.554) 11.554 5.533 ( 0.000 0.000 14.292) 14.292 5.633 ( 0.000 0.000 18.545) 18.545 5.703 ( 0.000 0.000 10.229) 10.229 5.980 ( 0.000 0.000 -16.039) 16.039 6.267 ( 0.000 0.000 18.245) 18.245 6.427 ( 0.000 0.000 -39.020) 39.020 6.483 ( 0.000 0.000 -2.881) 2.881 7.051 ( 0.000 0.000 10.861) 10.861 7.327 ( 0.000 0.000 -10.465) 10.465 7.508 ( 0.000 0.000 11.335) 11.335 7.644 ( 0.000 0.000 -4.140) 4.140 7.835 ( 0.000 0.000 10.977) 10.977 8.112 ( 0.000 0.000 -12.836) 12.836 8.549 ( 0.000 0.000 24.653) 24.653 8.759 ( 0.000 0.000 -3.165) 3.165 8.791 ( 0.000 0.000 -7.396) 7.396 8.983 ( 0.000 0.000 -16.166) 16.166 9.419 ( 0.000 0.000 19.522) 19.522 9.487 ( 0.000 0.000 1.184) 1.184 9.577 ( 0.000 0.000 -9.094) 9.094 9.823 ( 0.000 0.000 -21.116) 21.116 10.346 ( 0.000 0.000 15.530) 15.530 10.383 ( 0.000 0.000 30.684) 30.684 10.643 ( 0.000 0.000 -15.058) 15.058 10.928 ( 0.000 0.000 -25.018) 25.018 12.812 ( 0.000 0.000 14.990) 14.990 13.082 ( 0.000 0.000 -12.738) 12.738 13.143 ( 0.000 0.000 6.491) 6.491 13.215 ( 0.000 0.000 -0.802) 0.802 14.423 ( 0.000 0.000 6.097) 6.097 14.526 ( 0.000 0.000 -4.337) 4.337 15.144 ( 0.000 0.000 17.724) 17.724 15.398 ( 0.000 0.000 17.291) 17.291 15.484 ( 0.000 0.000 -16.061) 16.061 15.731 ( 0.000 0.000 -16.779) 16.779 15.801 ( 0.000 0.000 14.526) 14.526 16.050 ( 0.000 0.000 -10.412) 10.412 21.588 ( 0.000 0.000 13.678) 13.678 21.858 ( 0.000 0.000 -13.980) 13.980 22.355 ( 0.000 0.000 21.658) 21.658 22.745 ( 0.000 0.000 -18.105) 18.105 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 2.503 0.000 11.053) 11.333 2.433 ( 2.276 0.000 -7.719) 8.047 2.490 ( 3.183 0.000 18.248) 18.523 2.715 ( -1.107 0.000 5.358) 5.471 2.759 ( 1.713 0.000 -10.047) 10.192 2.930 ( -2.291 0.000 -14.096) 14.281 3.024 ( 0.528 0.000 1.211) 1.321 3.111 ( -2.028 0.000 -7.501) 7.771 3.115 ( -2.601 0.000 3.222) 4.140 3.183 ( -1.568 0.000 -4.043) 4.336 3.763 ( -3.100 0.000 7.827) 8.419 3.860 ( 2.548 0.000 1.590) 3.003 3.881 ( -3.144 0.000 -4.347) 5.365 3.902 ( 0.740 0.000 -2.860) 2.954 4.538 ( 9.930 0.000 6.672) 11.964 4.658 ( 12.577 0.000 -4.727) 13.436 4.987 ( -1.387 0.000 11.665) 11.747 5.068 ( 5.779 0.000 2.557) 6.319 5.344 ( -5.546 0.000 17.047) 17.926 5.482 ( -0.683 0.000 19.484) 19.496 5.554 ( 1.052 0.000 -1.714) 2.012 5.882 ( 0.510 0.000 3.293) 3.332 6.005 ( -21.458 0.000 15.750) 26.618 6.017 ( 12.349 0.000 -8.055) 14.744 6.310 ( -20.623 0.000 -14.202) 25.040 6.474 ( 4.729 0.000 -32.968) 33.305 7.033 ( 1.168 0.000 11.230) 11.291 7.213 ( -7.276 0.000 -5.615) 9.191 7.489 ( -2.907 0.000 14.129) 14.425 7.660 ( 1.403 0.000 -4.708) 4.912 7.950 ( 6.833 0.000 6.349) 9.327 8.118 ( 1.132 0.000 -9.770) 9.835 8.321 ( -17.960 0.000 20.021) 26.896 8.732 ( -22.286 0.000 -20.839) 30.511 8.881 ( 14.472 0.000 4.633) 15.195 9.029 ( 18.669 0.000 -8.967) 20.711 9.364 ( -4.059 0.000 18.455) 18.897 9.544 ( 1.104 0.000 2.963) 3.163 9.704 ( 6.303 0.000 -5.253) 8.205 9.812 ( 1.648 0.000 -18.534) 18.607 10.405 ( 6.307 0.000 14.212) 15.548 10.411 ( 3.087 0.000 29.372) 29.533 10.686 ( 4.433 0.000 -14.573) 15.232 10.938 ( 1.112 0.000 -24.216) 24.241 12.793 ( -1.683 0.000 14.282) 14.381 13.038 ( -3.182 0.000 -9.468) 9.988 13.176 ( 2.259 0.000 5.799) 6.223 13.261 ( 4.368 0.000 -1.533) 4.629 14.418 ( -0.658 0.000 5.309) 5.350 14.500 ( -3.068 0.000 -2.818) 4.166 14.974 ( -14.429 0.000 15.063) 20.859 15.276 ( -11.806 0.000 15.777) 19.705 15.298 ( -16.861 0.000 -17.439) 24.257 15.599 ( -13.097 0.000 -17.241) 21.651 15.911 ( 9.439 0.000 15.001) 17.723 16.152 ( 7.974 0.000 -9.735) 12.584 21.581 ( -1.135 0.000 11.088) 11.146 21.810 ( -4.927 0.000 -12.488) 13.425 22.367 ( 1.201 0.000 20.144) 20.180 22.730 ( -1.482 0.000 -17.007) 17.071 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -2.846 0.000 9.747) 10.154 2.437 ( -3.146 0.000 -8.470) 9.036 2.551 ( 2.207 0.000 14.067) 14.239 2.687 ( -1.226 0.000 6.453) 6.569 2.753 ( -3.203 0.000 -8.001) 8.618 2.868 ( -2.976 0.000 -8.285) 8.803 3.045 ( 0.511 0.000 -0.485) 0.705 3.085 ( 0.475 0.000 1.711) 1.775 3.102 ( 3.558 0.000 -5.669) 6.693 3.189 ( 2.051 0.000 -8.826) 9.061 3.768 ( 3.356 0.000 2.636) 4.267 3.830 ( -0.994 0.000 -3.351) 3.496 3.872 ( -2.119 0.000 0.017) 2.120 3.898 ( -1.556 0.000 -2.433) 2.888 4.719 ( 3.734 0.000 16.347) 16.768 4.841 ( -15.933 0.000 23.407) 28.315 4.899 ( 11.912 0.000 -2.456) 12.163 5.194 ( 3.840 0.000 -7.764) 8.662 5.217 ( -1.758 0.000 12.663) 12.785 5.456 ( -6.213 0.000 -9.124) 11.039 5.635 ( 6.666 0.000 9.597) 11.685 5.671 ( -12.156 0.000 1.580) 12.258 5.801 ( -23.626 0.000 -14.809) 27.884 5.814 ( -3.413 0.000 -4.996) 6.051 6.336 ( 15.912 0.000 1.162) 15.954 6.597 ( 7.928 0.000 -20.537) 22.014 7.109 ( 5.573 0.000 7.818) 9.601 7.168 ( 3.691 0.000 1.526) 3.994 7.344 ( -12.211 0.000 20.164) 23.573 7.666 ( -2.754 0.000 -10.260) 10.623 7.993 ( -1.125 0.000 5.122) 5.244 8.074 ( -4.957 0.000 8.170) 9.557 8.156 ( 1.332 0.000 -11.155) 11.235 8.300 ( -18.676 0.000 -17.079) 25.308 9.226 ( 18.898 0.000 9.471) 21.139 9.237 ( -8.556 0.000 14.750) 17.051 9.383 ( 16.760 0.000 -5.051) 17.504 9.453 ( -9.758 0.000 -5.901) 11.404 9.761 ( 1.434 0.000 3.607) 3.882 9.879 ( 1.984 0.000 -10.484) 10.670 10.507 ( 7.031 0.000 25.593) 26.541 10.578 ( 10.987 0.000 10.554) 15.235 10.801 ( 7.033 0.000 -12.285) 14.156 10.970 ( 2.061 0.000 -21.038) 21.138 12.763 ( -1.177 0.000 12.622) 12.677 12.978 ( -3.093 0.000 -9.267) 9.770 13.225 ( 3.134 0.000 10.578) 11.032 13.358 ( 5.163 0.000 -2.809) 5.878 14.373 ( -11.090 0.000 3.662) 11.679 14.389 ( -3.035 0.000 1.821) 3.539 14.721 ( -9.467 0.000 5.230) 10.816 14.933 ( -19.306 0.000 -15.834) 24.969 15.002 ( -15.454 0.000 10.752) 18.826 15.274 ( -19.515 0.000 -17.052) 25.915 16.098 ( 9.347 0.000 12.575) 15.669 16.293 ( 6.314 0.000 -7.620) 9.896 21.529 ( -4.457 0.000 5.773) 7.293 21.675 ( -8.905 0.000 -9.372) 12.928 22.397 ( 1.929 0.000 15.932) 16.049 22.689 ( -2.855 0.000 -13.925) 14.215 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -7.206 0.000 5.145) 8.854 2.302 ( -9.812 0.000 -9.812) 13.877 2.542 ( -3.048 0.000 4.710) 5.610 2.643 ( -7.563 0.000 -6.633) 10.060 2.699 ( 2.804 0.000 10.403) 10.774 2.846 ( 0.347 0.000 0.467) 0.582 3.091 ( 5.349 0.000 6.418) 8.355 3.144 ( 4.891 0.000 -3.369) 5.940 3.218 ( 6.832 0.000 -4.836) 8.370 3.236 ( 2.322 0.000 -10.358) 10.615 3.789 ( -5.851 0.000 -0.004) 5.851 3.792 ( 1.142 0.000 4.886) 5.018 3.837 ( -4.317 0.000 -4.387) 6.155 3.943 ( 10.948 0.000 -10.556) 15.208 4.482 ( -17.232 0.000 15.903) 23.449 4.571 ( -15.484 0.000 24.570) 29.042 4.918 ( -28.065 0.000 -28.308) 39.862 5.010 ( -8.032 0.000 -17.931) 19.648 5.318 ( 7.685 0.000 2.986) 8.245 5.389 ( 8.376 0.000 -3.677) 9.147 5.563 ( 5.059 0.000 8.708) 10.071 5.697 ( 1.541 0.000 -5.305) 5.524 5.742 ( 3.567 0.000 4.893) 6.055 5.782 ( -0.365 0.000 1.663) 1.702 6.497 ( 0.699 0.000 8.006) 8.036 6.735 ( 2.204 0.000 -15.895) 16.047 7.161 ( -2.479 0.000 13.321) 13.550 7.235 ( 8.302 0.000 9.405) 12.545 7.326 ( 10.357 0.000 1.506) 10.466 7.493 ( -12.307 0.000 -18.247) 22.010 7.950 ( -2.790 0.000 5.667) 6.317 8.104 ( 5.984 0.000 2.464) 6.472 8.135 ( -3.616 0.000 -12.115) 12.643 8.163 ( 3.107 0.000 -4.643) 5.587 9.067 ( -8.506 0.000 10.137) 13.233 9.231 ( -12.535 0.000 -5.969) 13.883 9.532 ( 12.535 0.000 8.593) 15.197 9.640 ( 9.737 0.000 -1.572) 9.863 9.766 ( -0.446 0.000 5.065) 5.084 9.868 ( -2.605 0.000 -6.069) 6.605 10.674 ( 10.064 0.000 19.131) 21.617 10.786 ( 9.954 0.000 6.083) 11.666 10.925 ( 5.315 0.000 -8.314) 9.868 11.003 ( 0.888 0.000 -13.988) 14.016 12.756 ( 0.571 0.000 9.643) 9.660 12.914 ( -3.638 0.000 -6.634) 7.566 13.302 ( 4.843 0.000 11.422) 12.406 13.437 ( 2.731 0.000 -2.316) 3.581 14.126 ( -12.214 0.000 3.594) 12.732 14.260 ( -11.137 0.000 -8.024) 13.726 14.614 ( -3.200 0.000 -0.411) 3.226 14.655 ( -7.937 0.000 -5.951) 9.920 14.738 ( -11.089 0.000 3.535) 11.639 14.912 ( -17.002 0.000 -14.369) 22.260 16.256 ( 7.053 0.000 8.619) 11.137 16.384 ( 3.028 0.000 -4.543) 5.460 21.423 ( -5.948 0.000 0.920) 6.019 21.494 ( -9.213 0.000 -6.646) 11.360 22.439 ( 2.396 0.000 9.888) 10.174 22.625 ( -3.679 0.000 -9.295) 9.997 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -1.517 0.000 -2.460) 2.890 2.123 ( -7.409 0.000 -8.543) 11.309 2.480 ( -1.895 0.000 -1.639) 2.505 2.509 ( -5.073 0.000 -4.627) 6.866 2.779 ( 4.660 0.000 12.751) 13.576 2.844 ( -1.562 0.000 9.095) 9.228 3.223 ( 7.145 0.000 8.873) 11.392 3.229 ( 3.302 0.000 -10.182) 10.704 3.262 ( -0.056 0.000 -11.121) 11.122 3.303 ( 0.335 0.000 2.712) 2.732 3.705 ( -0.970 0.000 -4.696) 4.795 3.753 ( -4.286 0.000 -7.817) 8.915 3.887 ( 9.664 0.000 13.202) 16.361 4.103 ( -5.091 0.000 2.470) 5.659 4.287 ( -1.638 0.000 -0.803) 1.824 4.354 ( 5.521 0.000 -1.607) 5.750 4.448 ( -18.059 0.000 -17.258) 24.979 4.680 ( -20.810 0.000 -23.190) 31.158 5.512 ( 9.091 0.000 5.936) 10.857 5.565 ( 5.155 0.000 0.214) 5.159 5.666 ( 4.267 0.000 3.378) 5.443 5.713 ( -0.598 0.000 -1.355) 1.481 5.757 ( 0.305 0.000 3.159) 3.174 5.787 ( -0.898 0.000 0.828) 1.222 6.485 ( 1.660 0.000 1.670) 2.355 6.614 ( -10.442 0.000 -10.820) 15.037 7.233 ( 5.919 0.000 3.140) 6.701 7.330 ( -5.121 0.000 -6.696) 8.430 7.404 ( 8.040 0.000 11.127) 13.728 7.473 ( 2.570 0.000 6.310) 6.814 7.928 ( 2.031 0.000 -1.635) 2.608 8.029 ( -6.808 0.000 -9.901) 12.016 8.238 ( 6.160 0.000 -0.024) 6.161 8.264 ( 3.945 0.000 -2.428) 4.632 8.949 ( -2.501 0.000 4.042) 4.753 9.014 ( -8.856 0.000 -2.378) 9.170 9.705 ( 5.671 0.000 5.764) 8.086 9.747 ( 1.505 0.000 1.662) 2.242 9.765 ( 0.848 0.000 2.685) 2.815 9.806 ( -3.209 0.000 -1.640) 3.604 10.862 ( 8.678 0.000 8.886) 12.420 10.935 ( 5.354 0.000 1.374) 5.527 10.981 ( -3.603 0.000 -3.235) 4.842 10.983 ( 0.395 0.000 -3.566) 3.588 12.785 ( 2.408 0.000 4.894) 5.454 12.844 ( -3.576 0.000 -1.052) 3.728 13.395 ( 4.333 0.000 6.858) 8.112 13.451 ( -1.287 0.000 1.194) 1.755 13.976 ( -2.455 0.000 -3.463) 4.245 14.042 ( -8.913 0.000 -9.832) 13.270 14.577 ( -0.525 0.000 -0.226) 0.571 14.586 ( -1.390 0.000 -1.091) 1.766 14.607 ( -2.137 0.000 -3.403) 4.018 14.665 ( -8.246 0.000 -9.437) 12.532 16.363 ( 4.044 0.000 3.992) 5.683 16.407 ( -0.573 0.000 -0.588) 0.821 21.336 ( -2.281 0.000 -2.479) 3.369 21.356 ( -4.497 0.000 -4.674) 6.486 22.490 ( 3.012 0.000 3.097) 4.320 22.554 ( -3.634 0.000 -3.498) 5.044 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 -11.001 8.310) 13.787 2.263 ( 0.000 1.145 5.613) 5.729 2.497 ( 0.000 -10.343 -1.186) 10.411 2.562 ( 0.000 5.882 -3.895) 7.055 2.820 ( 0.000 -2.471 1.892) 3.112 2.882 ( 0.000 -4.559 -4.942) 6.724 2.933 ( 0.000 -4.911 -2.530) 5.525 2.981 ( 0.000 -13.779 -8.400) 16.138 3.099 ( 0.000 -1.384 5.015) 5.203 3.216 ( 0.000 1.199 -6.256) 6.370 3.566 ( 0.000 -8.187 6.486) 10.445 3.702 ( 0.000 -7.542 -7.183) 10.415 4.158 ( 0.000 7.621 1.188) 7.714 4.180 ( 0.000 10.353 1.316) 10.436 4.572 ( 0.000 9.844 3.301) 10.383 4.617 ( 0.000 10.104 1.206) 10.175 5.155 ( 0.000 15.125 9.743) 17.992 5.218 ( 0.000 18.279 1.505) 18.341 5.352 ( 0.000 3.404 8.662) 9.307 5.527 ( 0.000 1.119 -6.794) 6.885 5.657 ( 0.000 4.195 38.413) 38.641 5.730 ( 0.000 4.773 8.878) 10.080 5.961 ( 0.000 -1.596 -13.636) 13.729 6.242 ( 0.000 -2.457 18.622) 18.783 6.456 ( 0.000 2.394 -35.266) 35.347 6.566 ( 0.000 5.740 -11.191) 12.578 7.134 ( 0.000 8.661 13.466) 16.011 7.321 ( 0.000 -10.461 16.167) 19.256 7.451 ( 0.000 6.487 -13.569) 15.040 7.552 ( 0.000 -8.448 -7.251) 11.133 7.877 ( 0.000 1.441 9.069) 9.183 8.102 ( 0.000 -1.077 -11.025) 11.078 8.627 ( 0.000 5.633 19.892) 20.674 8.705 ( 0.000 -5.490 -4.709) 7.233 8.744 ( 0.000 1.041 3.182) 3.348 9.123 ( 0.000 10.172 -15.955) 18.922 9.417 ( 0.000 -3.174 15.984) 16.296 9.434 ( 0.000 -6.983 1.136) 7.074 9.561 ( 0.000 0.326 -5.516) 5.525 9.875 ( 0.000 5.377 -21.609) 22.268 10.291 ( 0.000 -4.357 14.471) 15.113 10.369 ( 0.000 -1.966 26.189) 26.262 10.605 ( 0.000 -2.674 -12.101) 12.393 10.909 ( 0.000 -2.061 -23.385) 23.476 12.802 ( 0.000 -0.917 13.770) 13.801 13.045 ( 0.000 -3.713 -11.046) 11.654 13.102 ( 0.000 -3.284 6.433) 7.223 13.171 ( 0.000 -3.705 -0.792) 3.789 14.590 ( 0.000 15.510 5.274) 16.382 14.678 ( 0.000 13.684 -3.491) 14.122 15.170 ( 0.000 2.539 16.897) 17.086 15.380 ( 0.000 -1.680 16.946) 17.029 15.501 ( 0.000 1.544 -14.708) 14.789 15.717 ( 0.000 -1.270 -16.851) 16.899 15.774 ( 0.000 -2.728 12.422) 12.718 15.995 ( 0.000 -5.560 -9.260) 10.801 21.584 ( 0.000 0.117 14.758) 14.758 21.871 ( 0.000 1.682 -14.724) 14.820 22.265 ( 0.000 -8.468 21.122) 22.756 22.648 ( 0.000 -9.089 -17.927) 20.100 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 3.681 -10.953 6.947) 13.483 2.298 ( 2.621 1.443 5.308) 6.093 2.481 ( -1.507 -11.347 -1.312) 11.522 2.554 ( -1.143 4.127 -4.136) 5.954 2.833 ( 0.522 -5.579 2.512) 6.141 2.891 ( 0.418 -4.186 -1.231) 4.384 2.939 ( 0.450 -2.107 -3.163) 3.827 2.979 ( 0.578 -11.865 -10.566) 15.898 3.084 ( -0.678 -0.675 2.073) 2.283 3.162 ( -5.297 0.870 -4.769) 7.181 3.555 ( -0.654 -8.015 5.462) 9.721 3.676 ( -2.508 -7.248 -6.681) 10.171 4.161 ( 3.169 11.835 5.100) 13.271 4.263 ( 5.235 12.337 -4.857) 14.254 4.660 ( 9.053 10.572 7.195) 15.669 4.722 ( 9.143 6.055 1.501) 11.068 5.108 ( -5.970 11.014 12.895) 17.979 5.223 ( 0.561 11.416 0.507) 11.441 5.397 ( -1.277 8.993 12.738) 15.645 5.519 ( -1.512 2.958 25.778) 25.991 5.561 ( 1.920 4.145 -6.119) 7.636 5.893 ( 3.081 2.788 6.418) 7.646 5.969 ( 3.613 -2.996 -6.053) 7.660 6.056 ( -11.977 3.216 12.853) 17.860 6.373 ( -19.511 5.075 -17.424) 26.647 6.451 ( 0.016 -1.489 -32.935) 32.969 7.113 ( 0.077 7.480 12.217) 14.325 7.273 ( -5.325 -0.408 9.580) 10.968 7.382 ( -2.607 -2.531 -3.030) 4.731 7.562 ( 0.830 -7.937 -8.757) 11.848 8.002 ( 7.860 1.842 5.712) 9.890 8.126 ( 3.215 -0.046 -7.111) 7.804 8.418 ( -15.894 10.094 23.842) 30.380 8.826 ( -7.401 4.998 -14.798) 17.284 8.866 ( 11.552 0.169 2.848) 11.899 9.022 ( 8.638 1.647 -10.596) 13.769 9.365 ( -4.964 -1.569 14.992) 15.871 9.465 ( 1.838 -7.130 2.454) 7.761 9.696 ( 7.045 -1.005 -2.649) 7.593 9.884 ( 1.897 5.963 -18.495) 19.525 10.312 ( 2.639 -6.485 15.428) 16.942 10.404 ( 3.705 -2.867 23.289) 23.756 10.622 ( 1.916 -4.744 -12.039) 13.081 10.914 ( 0.573 -2.732 -22.503) 22.675 12.791 ( -0.843 -0.093 12.913) 12.941 13.007 ( -2.543 -2.807 -8.010) 8.861 13.137 ( 2.445 -3.305 5.599) 6.946 13.216 ( 4.268 -3.995 -1.297) 5.988 14.584 ( -0.740 15.433 4.507) 16.095 14.647 ( -3.861 13.058 -1.207) 13.670 15.011 ( -13.026 3.735 13.322) 19.002 15.259 ( -11.816 -1.412 14.944) 19.104 15.320 ( -16.340 1.918 -15.821) 22.825 15.587 ( -12.993 -1.133 -17.303) 21.667 15.875 ( 8.663 -3.742 13.650) 16.595 16.093 ( 7.512 -5.843 -8.847) 12.994 21.578 ( -0.961 0.216 12.292) 12.332 21.827 ( -4.659 1.915 -13.271) 14.195 22.275 ( 0.999 -8.642 19.621) 21.463 22.632 ( -1.682 -9.275 -16.825) 19.286 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -2.149 1.659 5.251) 5.912 2.346 ( 2.262 -7.561 1.239) 7.989 2.462 ( 0.294 -12.539 -0.697) 12.562 2.518 ( -1.882 -0.121 -2.850) 3.418 2.823 ( -1.870 -4.004 3.011) 5.347 2.904 ( 1.569 -4.101 1.625) 4.683 2.911 ( -2.444 -2.583 1.227) 3.762 2.995 ( -2.053 -4.595 -12.564) 13.534 3.064 ( -0.960 -5.366 -1.261) 5.595 3.120 ( 4.133 -1.009 -5.711) 7.122 3.553 ( 0.094 -8.799 1.683) 8.959 3.616 ( -3.446 -6.571 -4.780) 8.826 4.239 ( 2.757 17.059 4.772) 17.927 4.345 ( 2.301 21.008 -5.679) 21.883 4.819 ( 1.865 8.437 16.352) 18.495 4.857 ( -15.190 1.325 22.109) 26.857 4.935 ( 7.961 5.624 2.802) 10.142 5.235 ( -1.117 2.818 -10.021) 10.469 5.255 ( -4.753 4.005 10.189) 11.935 5.515 ( -9.498 4.254 -9.387) 14.015 5.636 ( 6.997 1.484 9.821) 12.150 5.741 ( -9.989 1.456 -4.464) 11.037 5.922 ( -3.494 15.835 -4.722) 16.890 5.971 ( -8.591 15.422 -7.601) 19.220 6.228 ( 12.599 -8.552 1.518) 15.303 6.480 ( 2.522 -7.838 -19.859) 21.498 7.170 ( 5.642 1.894 9.414) 11.138 7.213 ( -0.858 2.497 15.390) 15.615 7.350 ( -0.926 1.695 -2.519) 3.174 7.565 ( -1.154 -4.990 -13.015) 13.986 8.067 ( -1.755 3.509 8.064) 8.968 8.139 ( -2.701 4.058 8.206) 9.545 8.241 ( 0.797 11.011 -1.674) 11.166 8.494 ( -17.429 16.944 -18.242) 30.391 9.180 ( 13.929 -2.755 7.997) 16.296 9.234 ( -2.201 -1.547 12.525) 12.811 9.332 ( 11.814 -4.350 -4.059) 13.227 9.416 ( -4.793 -3.908 -3.991) 7.360 9.773 ( 1.663 0.631 4.903) 5.216 9.927 ( 0.878 4.151 -11.638) 12.387 10.405 ( 6.993 -9.660 15.556) 19.602 10.510 ( 7.199 -6.842 15.862) 18.715 10.681 ( 4.129 -9.439 -10.402) 14.641 10.929 ( 0.865 -4.763 -19.202) 19.802 12.782 ( 0.149 1.946 10.984) 11.156 12.964 ( -1.990 -1.182 -7.487) 7.837 13.188 ( 3.192 -3.130 9.804) 10.775 13.311 ( 5.084 -4.312 -2.446) 7.101 14.480 ( -13.771 8.785 6.788) 17.689 14.548 ( -4.092 14.499 0.325) 15.069 14.812 ( -6.096 9.001 1.736) 11.009 14.966 ( -17.505 2.901 -11.224) 20.996 14.989 ( -15.841 -0.423 8.176) 17.832 15.265 ( -19.322 -0.678 -17.145) 25.841 16.045 ( 8.528 -5.288 11.534) 15.288 16.224 ( 5.751 -6.906 -6.954) 11.363 21.533 ( -3.830 0.871 7.043) 8.064 21.699 ( -8.390 2.616 -10.118) 13.402 22.299 ( 1.523 -9.186 15.440) 18.031 22.584 ( -3.202 -9.786 -13.773) 17.196 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -4.937 5.542 2.099) 7.714 2.300 ( -6.083 -0.124 -6.415) 8.841 2.503 ( 2.609 -9.612 2.110) 10.181 2.513 ( 0.584 -4.212 1.902) 4.658 2.749 ( -4.517 1.679 3.418) 5.908 2.848 ( -2.919 0.845 2.947) 4.233 2.983 ( 5.220 -9.032 -3.765) 11.091 3.011 ( 7.387 -8.601 2.333) 11.575 3.106 ( 2.895 -7.202 -5.405) 9.458 3.209 ( 4.674 -3.396 -7.581) 9.532 3.513 ( -4.598 -8.116 0.769) 9.360 3.576 ( -1.048 -9.550 -5.888) 11.268 4.200 ( -6.203 11.170 4.320) 13.488 4.318 ( -5.270 22.540 -6.229) 23.971 4.453 ( -20.996 0.503 18.058) 27.698 4.721 ( -7.810 11.665 13.258) 19.309 4.923 ( -22.519 2.042 -23.748) 32.791 5.084 ( -7.704 5.266 -16.499) 18.955 5.335 ( 4.984 1.336 1.034) 5.263 5.380 ( 10.847 1.117 -2.467) 11.180 5.693 ( 1.675 0.549 5.926) 6.183 5.738 ( 4.557 -0.171 3.602) 5.811 5.914 ( 5.733 27.417 6.610) 28.779 6.030 ( 4.986 20.871 -3.934) 21.816 6.392 ( 3.640 -9.127 2.899) 10.245 6.528 ( 1.523 -13.766 -10.142) 17.166 7.134 ( -5.646 -0.741 13.845) 14.971 7.269 ( -0.543 -1.688 4.522) 4.858 7.439 ( 9.856 10.987 -1.371) 14.824 7.545 ( 2.931 4.216 -14.893) 15.753 8.056 ( 3.148 2.521 5.282) 6.645 8.157 ( -0.611 11.465 6.492) 13.189 8.209 ( -1.532 8.115 -8.887) 12.131 8.280 ( -5.551 10.148 -7.319) 13.688 9.091 ( -6.189 2.205 7.874) 10.255 9.215 ( -10.128 -1.217 -4.189) 11.027 9.489 ( 12.090 -4.196 7.019) 14.596 9.585 ( 9.159 -5.066 -2.089) 10.674 9.775 ( -0.921 0.885 6.974) 7.090 9.901 ( -3.206 3.499 -6.464) 8.019 10.568 ( 9.685 -11.261 12.348) 19.315 10.656 ( 7.361 -12.015 8.137) 16.271 10.763 ( 3.752 -13.510 -6.440) 15.430 10.936 ( -0.573 -7.417 -12.639) 14.666 12.799 ( 1.537 4.035 8.230) 9.294 12.926 ( -2.153 1.221 -4.906) 5.496 13.264 ( 4.652 -3.428 10.732) 12.189 13.390 ( 2.798 -4.427 -2.019) 5.613 14.206 ( -12.647 6.937 4.297) 15.051 14.370 ( -14.047 9.200 -10.877) 20.006 14.709 ( -9.829 -1.650 1.945) 10.155 14.736 ( -5.611 8.541 -2.265) 10.467 14.760 ( -3.582 11.885 -0.192) 12.414 14.910 ( -16.100 1.191 -14.157) 21.472 16.189 ( 6.423 -6.660 7.891) 12.160 16.306 ( 2.735 -7.734 -4.139) 9.188 21.442 ( -5.050 2.252 1.956) 5.865 21.529 ( -8.707 3.588 -7.119) 11.805 22.332 ( 1.928 -10.017 9.475) 13.922 22.514 ( -4.019 -10.444 -9.256) 14.523 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -1.345 7.827 -2.353) 8.283 2.185 ( -4.671 5.671 -5.844) 9.388 2.500 ( -0.711 -0.506 -0.812) 1.192 2.514 ( -1.764 -2.499 -1.597) 3.451 2.737 ( 3.490 -1.216 11.951) 12.509 2.806 ( -2.564 -0.931 9.665) 10.043 3.112 ( 5.508 -7.592 -4.125) 10.246 3.142 ( 1.608 -8.353 -8.013) 11.687 3.200 ( 10.002 -6.961 4.440) 12.970 3.305 ( 5.119 -2.924 -3.812) 7.020 3.406 ( -4.983 -13.116 3.689) 14.508 3.510 ( -7.220 -12.926 -4.895) 15.594 4.128 ( -1.609 1.928 -1.694) 3.029 4.161 ( -5.464 6.995 -3.781) 9.648 4.184 ( -4.185 3.482 -5.883) 8.016 4.398 ( -19.846 -0.404 -18.472) 27.116 4.752 ( 1.750 20.803 -0.914) 20.897 4.865 ( -10.002 15.136 -11.985) 21.743 5.516 ( 8.312 2.253 4.427) 9.683 5.560 ( 5.017 1.672 -0.364) 5.301 5.727 ( 2.005 -0.012 6.573) 6.872 5.774 ( -1.288 -1.412 2.328) 3.012 6.045 ( 6.721 30.031 5.413) 31.246 6.109 ( 1.573 28.611 -0.701) 28.663 6.410 ( 1.308 -8.152 0.718) 8.287 6.494 ( -5.082 -11.600 -6.775) 14.363 7.082 ( 0.652 -5.074 2.961) 5.911 7.154 ( -6.752 -3.833 -3.162) 8.383 7.636 ( 8.552 12.402 3.663) 15.504 7.676 ( 5.494 9.245 -1.177) 10.819 8.077 ( -0.862 14.391 1.501) 14.495 8.133 ( -3.586 11.178 -4.334) 12.513 8.209 ( 2.369 -3.094 0.205) 3.902 8.248 ( 0.877 -1.530 -4.024) 4.393 9.011 ( -1.653 5.689 2.487) 6.425 9.050 ( -5.965 3.587 -1.327) 7.086 9.661 ( 5.593 -6.402 2.685) 8.915 9.688 ( 2.011 -6.788 0.361) 7.088 9.764 ( 0.696 2.478 5.430) 6.009 9.824 ( -4.411 3.558 -0.940) 5.744 10.744 ( 7.155 -15.274 2.408) 17.037 10.775 ( 5.242 -13.101 3.248) 14.480 10.805 ( 0.641 -14.610 -0.685) 14.640 10.891 ( -4.393 -8.947 -3.208) 10.471 12.836 ( 2.270 4.763 4.548) 6.966 12.882 ( -2.420 3.620 -0.103) 4.356 13.353 ( 4.189 -3.868 6.672) 8.777 13.407 ( -1.096 -4.208 1.338) 4.550 14.054 ( -2.431 6.855 -3.329) 7.999 14.124 ( -9.432 7.102 -10.244) 15.632 14.579 ( -2.375 -2.594 -2.891) 4.553 14.626 ( -6.566 -1.523 -6.666) 9.480 14.731 ( -0.682 14.047 -1.222) 14.116 14.737 ( -2.005 13.145 -2.677) 13.564 16.286 ( 3.686 -7.589 3.649) 9.192 16.327 ( -0.529 -7.968 -0.531) 8.004 21.371 ( -1.675 3.644 -1.903) 4.439 21.397 ( -4.454 4.145 -4.654) 7.661 22.376 ( 2.755 -10.724 2.808) 11.423 22.438 ( -3.731 -10.876 -3.626) 12.057 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 0.000 -6.614 0.184) 6.616 2.123 ( 0.000 -10.294 -10.212) 14.500 2.507 ( 0.000 7.073 9.534) 11.871 2.666 ( 0.000 -6.942 -1.446) 7.091 2.672 ( 0.000 3.347 -7.035) 7.791 2.698 ( 0.000 -9.950 -2.908) 10.366 2.845 ( 0.000 -0.093 3.090) 3.092 2.923 ( 0.000 -0.318 0.466) 0.565 3.088 ( 0.000 0.738 1.882) 2.022 3.205 ( 0.000 -2.260 -6.956) 7.314 3.427 ( 0.000 -5.290 4.420) 6.894 3.540 ( 0.000 -8.286 -6.627) 10.610 4.243 ( 0.000 2.132 -0.740) 2.257 4.266 ( 0.000 1.018 -2.498) 2.698 4.743 ( 0.000 5.267 7.041) 8.793 4.754 ( 0.000 3.801 6.221) 7.291 5.278 ( 0.000 -1.480 -1.357) 2.008 5.295 ( 0.000 -1.394 -1.338) 1.932 5.653 ( 0.000 9.115 9.096) 12.877 5.783 ( 0.000 7.618 26.645) 27.712 5.840 ( 0.000 14.972 4.390) 15.602 5.963 ( 0.000 12.029 7.544) 14.199 6.074 ( 0.000 13.692 2.680) 13.952 6.219 ( 0.000 15.246 17.079) 22.894 6.507 ( 0.000 2.194 -29.931) 30.011 6.645 ( 0.000 1.831 -19.844) 19.928 7.026 ( 0.000 -16.304 17.355) 23.812 7.306 ( 0.000 -14.013 -10.325) 17.406 7.405 ( 0.000 14.494 12.572) 19.187 7.672 ( 0.000 12.551 -10.143) 16.137 7.855 ( 0.000 -3.286 6.509) 7.292 8.064 ( 0.000 -3.041 -10.703) 11.126 8.617 ( 0.000 -2.587 -1.835) 3.172 8.641 ( 0.000 -1.527 -3.295) 3.632 8.938 ( 0.000 14.444 28.210) 31.693 9.148 ( 0.000 -9.746 4.274) 10.642 9.209 ( 0.000 -12.925 -1.713) 13.038 9.471 ( 0.000 9.645 -4.805) 10.775 9.523 ( 0.000 -4.069 0.799) 4.146 9.951 ( 0.000 -1.776 -22.535) 22.605 10.235 ( 0.000 0.049 11.156) 11.156 10.304 ( 0.000 -2.715 15.307) 15.546 10.592 ( 0.000 2.273 -5.247) 5.719 10.833 ( 0.000 -5.482 -18.631) 19.421 12.788 ( 0.000 0.154 9.525) 9.526 12.937 ( 0.000 -6.159 -5.215) 8.070 13.046 ( 0.000 -1.622 4.737) 5.007 13.094 ( 0.000 -3.347 -0.770) 3.434 14.994 ( 0.000 22.012 2.255) 22.127 15.003 ( 0.000 15.677 3.093) 15.979 15.251 ( 0.000 5.793 12.717) 13.975 15.335 ( 0.000 -2.452 17.415) 17.587 15.532 ( 0.000 0.599 -9.248) 9.268 15.680 ( 0.000 -2.423 -17.028) 17.199 15.688 ( 0.000 -5.212 3.094) 6.061 15.814 ( 0.000 -12.237 -5.856) 13.566 21.625 ( 0.000 4.645 16.654) 17.289 21.946 ( 0.000 5.943 -16.067) 17.131 22.038 ( 0.000 -12.583 19.750) 23.418 22.405 ( 0.000 -13.729 -17.486) 22.231 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 4.338 -6.211 -0.386) 7.586 2.155 ( 2.890 -9.741 -9.645) 14.010 2.500 ( -1.376 7.997 8.444) 11.711 2.654 ( -0.720 -5.415 -3.760) 6.631 2.658 ( -2.065 3.328 -3.960) 5.570 2.709 ( 1.253 -8.321 -4.494) 9.540 2.866 ( 1.757 -2.196 3.271) 4.314 2.921 ( -0.701 -2.863 1.458) 3.288 3.089 ( 0.230 0.841 -0.288) 0.918 3.152 ( -5.081 -1.674 -4.501) 6.992 3.418 ( -0.590 -5.168 3.777) 6.428 3.526 ( -1.285 -7.453 -6.767) 10.148 4.300 ( 7.255 3.705 1.734) 8.329 4.365 ( 9.301 0.676 -4.590) 10.394 4.825 ( 7.747 4.496 8.669) 12.465 4.845 ( 8.647 4.921 7.798) 12.641 5.250 ( -5.124 1.931 1.958) 5.815 5.305 ( 0.579 -0.045 -2.349) 2.420 5.593 ( -6.809 4.935 19.991) 21.687 5.689 ( -11.439 8.104 16.080) 21.333 5.793 ( -7.027 10.275 11.873) 17.202 5.910 ( 3.563 -1.830 -2.724) 4.844 6.108 ( -3.915 14.480 -3.306) 15.360 6.213 ( -2.413 16.446 5.288) 17.443 6.437 ( -3.478 2.369 -24.429) 24.789 6.519 ( -6.718 11.386 -18.015) 22.345 7.029 ( 0.953 -14.506 17.975) 23.118 7.299 ( -1.110 -5.285 -5.956) 8.040 7.412 ( 0.962 7.334 2.309) 7.749 7.549 ( -8.005 10.070 -7.252) 14.767 7.989 ( 9.578 -2.935 4.276) 10.892 8.079 ( 3.032 -4.815 -4.977) 7.559 8.664 ( 1.384 10.130 15.463) 18.537 8.846 ( 12.545 -0.676 -5.539) 13.730 8.925 ( 7.095 7.701 9.780) 14.328 9.099 ( -6.278 0.056 -1.642) 6.490 9.218 ( 2.023 -11.449 6.591) 13.365 9.423 ( -4.602 6.558 -4.129) 9.013 9.602 ( 6.115 -9.141 2.818) 11.353 9.949 ( -0.049 -3.404 -20.960) 21.235 10.219 ( -1.297 -0.862 11.341) 11.447 10.307 ( 0.215 -4.227 13.659) 14.300 10.570 ( -1.980 0.787 -4.557) 5.030 10.817 ( -1.666 -6.741 -18.175) 19.456 12.799 ( 1.288 1.241 8.713) 8.895 12.933 ( -0.208 -4.254 -4.432) 6.147 13.073 ( 2.365 -2.226 4.924) 5.898 13.125 ( 3.178 -4.185 -0.394) 5.269 14.926 ( -9.434 11.319 8.919) 17.225 14.981 ( -1.973 20.375 1.032) 20.496 15.125 ( -9.458 5.451 8.119) 13.605 15.253 ( -7.215 4.479 13.199) 15.694 15.366 ( -15.104 2.104 -14.721) 21.196 15.562 ( -11.693 -0.731 -16.988) 20.636 15.750 ( 6.302 -8.766 9.616) 14.457 15.908 ( 6.075 -12.331 -6.613) 15.255 21.621 ( -0.627 4.751 14.516) 15.286 21.906 ( -4.084 6.100 -14.565) 16.310 22.045 ( 0.591 -12.627 18.063) 22.047 22.383 ( -2.222 -14.048 -16.327) 21.653 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 6.100 -5.035 -1.655) 8.081 2.216 ( 3.386 -7.292 -5.840) 9.937 2.447 ( -3.584 8.037 4.960) 10.102 2.577 ( -5.077 5.207 -6.349) 9.653 2.674 ( 2.403 -5.790 0.275) 6.275 2.747 ( 2.857 -7.396 -5.064) 9.407 2.871 ( -2.857 -5.969 1.359) 6.756 2.890 ( -1.571 -5.944 -0.549) 6.173 3.028 ( -4.516 0.632 3.302) 5.630 3.122 ( 1.463 0.227 -4.276) 4.525 3.409 ( -0.547 -4.871 2.168) 5.359 3.495 ( -1.985 -5.535 -6.453) 8.730 4.480 ( 7.253 7.651 5.697) 11.983 4.584 ( 10.750 3.954 -4.014) 12.137 4.895 ( -11.317 2.389 20.874) 23.864 4.942 ( -2.528 2.709 17.440) 17.830 5.137 ( 4.308 10.797 -1.000) 11.668 5.288 ( -4.387 2.004 -13.491) 14.328 5.358 ( -9.436 5.100 9.818) 14.541 5.520 ( -7.557 -2.896 0.022) 8.093 5.726 ( -2.729 3.882 4.191) 6.331 5.791 ( -18.358 5.792 -16.011) 25.039 5.994 ( 3.587 -9.963 -2.657) 10.917 6.113 ( -3.815 -3.213 -9.808) 11.003 6.519 ( 9.416 16.450 -1.221) 18.994 6.539 ( 4.759 31.421 -2.493) 31.877 7.078 ( 4.219 -8.402 15.884) 18.458 7.270 ( -1.601 0.373 0.645) 1.766 7.425 ( 2.623 5.234 -4.786) 7.561 7.522 ( 4.104 0.565 -10.256) 11.061 8.121 ( 4.138 -0.348 3.066) 5.161 8.140 ( 1.489 -2.681 1.245) 3.309 8.611 ( -3.644 23.380 16.232) 28.695 8.894 ( -7.746 19.221 -10.449) 23.209 9.135 ( 14.540 -1.507 6.519) 16.006 9.189 ( 0.223 -1.826 5.435) 5.737 9.221 ( 6.918 -6.262 1.737) 9.492 9.338 ( -1.513 -1.152 -5.816) 6.119 9.704 ( 3.993 -10.632 7.800) 13.777 9.954 ( 0.465 -7.115 -15.549) 17.105 10.206 ( 0.387 -5.130 9.138) 10.487 10.313 ( 0.549 -8.264 8.099) 11.584 10.529 ( -1.983 -3.812 -1.221) 4.467 10.774 ( -2.623 -9.755 -16.147) 19.047 12.841 ( 3.060 3.648 7.039) 8.498 12.939 ( 0.999 -1.139 -2.883) 3.257 13.123 ( 2.809 -2.620 7.009) 7.992 13.202 ( 4.330 -5.688 -0.878) 7.203 14.655 ( -16.551 7.640 10.749) 21.163 14.861 ( -12.656 7.448 -3.331) 15.059 14.909 ( -14.022 2.788 2.925) 14.592 15.063 ( -13.881 3.909 -9.964) 17.529 15.159 ( -2.359 18.968 2.233) 19.244 15.298 ( -13.035 7.834 -12.973) 19.990 15.873 ( 6.116 -11.794 8.473) 15.757 16.005 ( 4.032 -14.693 -5.170) 16.089 21.592 ( -2.480 5.537 9.572) 11.333 21.797 ( -7.107 7.128 -11.482) 15.270 22.056 ( 0.455 -13.435 13.961) 19.381 22.322 ( -4.130 -14.907 -13.266) 20.378 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 3.436 -1.670 -0.814) 3.906 2.296 ( 4.488 -2.979 -2.131) 5.793 2.387 ( -2.305 5.611 4.034) 7.284 2.498 ( -2.693 2.757 -4.021) 5.570 2.729 ( 1.153 -2.235 0.617) 2.589 2.793 ( 3.371 -8.204 -2.408) 9.191 2.852 ( 3.228 -5.842 -0.103) 6.675 2.877 ( 2.466 -3.905 -5.939) 7.523 2.996 ( 0.092 -0.182 7.476) 7.478 3.142 ( 0.376 -3.279 -5.812) 6.684 3.375 ( -3.818 -4.531 1.950) 6.238 3.447 ( -3.210 -4.865 -5.655) 8.121 4.354 ( -15.991 4.966 12.701) 21.016 4.443 ( -19.966 0.197 16.396) 25.836 4.705 ( -14.225 13.261 -15.275) 24.730 4.903 ( -22.787 4.072 -18.414) 29.579 5.016 ( 4.556 5.068 -0.837) 6.866 5.157 ( -3.649 0.178 -9.925) 10.576 5.401 ( 8.792 6.728 3.843) 11.719 5.457 ( 8.398 5.538 -1.761) 10.213 5.701 ( 2.134 0.670 4.234) 4.788 5.730 ( 1.694 0.593 2.853) 3.370 6.070 ( 4.638 -11.822 0.289) 12.703 6.113 ( 2.185 -14.676 -5.013) 15.661 6.616 ( 3.603 33.073 5.152) 33.665 6.688 ( 7.105 23.336 -1.309) 24.428 7.142 ( -0.063 -0.218 10.979) 10.981 7.242 ( -1.129 -0.977 2.994) 3.346 7.570 ( 11.185 2.958 -5.965) 13.017 7.632 ( 7.612 2.759 -12.033) 14.503 8.126 ( -0.909 -0.077 4.772) 4.859 8.178 ( 0.744 -3.208 -0.272) 3.305 8.542 ( -3.549 24.075 10.300) 26.425 8.735 ( -8.333 29.871 -8.669) 32.200 9.135 ( -1.456 1.072 5.138) 5.447 9.207 ( -3.584 1.338 -3.391) 5.112 9.382 ( 9.346 -5.520 5.661) 12.242 9.467 ( 7.039 -5.285 -2.554) 9.165 9.757 ( 2.259 -6.544 10.632) 12.687 9.952 ( -1.112 -5.668 -9.847) 11.416 10.239 ( 2.890 -14.213 4.527) 15.194 10.335 ( 1.655 -14.032 -0.903) 14.158 10.506 ( -0.089 -10.077 5.885) 11.670 10.719 ( -3.174 -12.802 -11.353) 17.403 12.907 ( 3.490 6.067 5.421) 8.853 12.966 ( 1.530 2.672 -0.817) 3.185 13.182 ( 3.401 -4.080 8.281) 9.838 13.272 ( 2.574 -6.688 -0.775) 7.208 14.365 ( -12.516 7.964 4.763) 15.581 14.553 ( -17.139 7.590 -13.656) 23.192 14.639 ( -11.552 -4.328 2.946) 12.683 14.789 ( -14.933 -2.898 -11.414) 19.018 15.138 ( -0.422 22.623 0.064) 22.627 15.158 ( -2.684 21.961 -2.741) 22.293 15.976 ( 4.589 -14.398 5.757) 16.171 16.061 ( 1.864 -16.355 -3.038) 16.739 21.535 ( -3.005 7.327 4.172) 8.951 21.653 ( -7.378 8.822 -8.089) 14.061 22.064 ( 0.584 -15.067 8.317) 17.220 22.232 ( -4.949 -16.033 -9.048) 19.063 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.445 4.874 0.051) 4.894 2.323 ( -1.011 7.216 -1.126) 7.373 2.405 ( 3.281 -4.107 2.756) 5.935 2.458 ( -2.246 -1.214 -1.936) 3.204 2.772 ( 4.983 2.786 7.878) 9.729 2.849 ( -1.130 1.013 8.460) 8.595 2.967 ( 6.517 -3.085 -7.915) 10.707 2.987 ( 6.891 -5.414 -4.641) 9.916 3.035 ( 4.841 -6.455 3.362) 8.741 3.130 ( -2.202 -8.970 -3.117) 9.748 3.266 ( -4.740 -4.415 3.785) 7.503 3.348 ( -7.837 -6.307 -3.029) 10.506 4.164 ( -0.454 1.378 -3.676) 3.952 4.178 ( -3.455 0.536 -1.109) 3.668 4.323 ( -17.911 4.620 -18.015) 25.821 4.400 ( -22.470 0.120 -20.923) 30.703 5.147 ( 4.600 16.318 0.596) 16.964 5.177 ( 1.120 13.381 -2.345) 13.631 5.598 ( 9.126 2.778 3.154) 10.048 5.614 ( 7.697 -0.052 1.362) 7.817 5.710 ( -2.397 1.449 3.766) 4.694 5.726 ( -3.008 -0.320 2.468) 3.904 6.146 ( 2.363 -13.175 0.347) 13.390 6.153 ( 1.301 -15.503 -0.743) 15.575 6.703 ( 5.536 29.724 6.454) 30.916 6.770 ( 0.560 26.311 1.433) 26.356 7.105 ( -0.317 5.008 2.261) 5.504 7.178 ( -5.751 2.932 -2.556) 6.943 7.781 ( 9.248 2.670 -2.394) 9.919 7.808 ( 7.849 3.721 -5.013) 10.029 8.096 ( -1.869 -7.221 0.991) 7.525 8.140 ( -4.662 -7.037 -2.984) 8.953 8.516 ( 1.706 28.477 6.026) 29.158 8.595 ( -5.995 30.816 -1.748) 31.443 9.136 ( 1.085 4.797 1.688) 5.199 9.161 ( -1.383 7.422 -1.460) 7.690 9.491 ( 2.858 -8.916 3.194) 9.892 9.524 ( -0.398 -7.681 -0.211) 7.694 9.820 ( 4.439 -1.491 5.105) 6.928 9.904 ( -3.786 -1.376 -3.573) 5.384 10.300 ( 3.142 -20.828 -0.077) 21.064 10.346 ( -1.160 -20.151 -4.684) 20.721 10.550 ( 4.668 -13.349 6.468) 15.550 10.646 ( -4.649 -14.233 -3.316) 15.335 12.963 ( 2.108 7.125 3.949) 8.415 12.983 ( -0.025 6.155 1.751) 6.400 13.249 ( 3.300 -6.052 5.902) 9.075 13.290 ( -0.712 -6.890 1.773) 7.150 14.217 ( -2.317 8.349 -3.079) 9.195 14.287 ( -9.513 8.134 -10.200) 16.146 14.501 ( -2.371 -4.997 -2.976) 6.281 14.557 ( -8.150 -4.641 -8.667) 12.770 15.134 ( -0.046 23.958 -0.279) 23.959 15.136 ( -0.319 24.242 -0.561) 24.251 16.046 ( 2.653 -16.125 2.636) 16.553 16.075 ( -0.412 -16.817 -0.402) 16.827 21.499 ( -0.269 9.237 -0.581) 9.259 21.537 ( -4.281 9.865 -4.562) 11.682 22.087 ( 2.000 -16.500 2.019) 16.743 22.144 ( -3.998 -16.812 -3.937) 17.723 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 -2.322 -8.161) 8.485 1.985 ( 0.000 2.322 -8.161) 8.485 2.576 ( 0.000 -1.449 -2.179) 2.616 2.576 ( 0.000 1.449 -2.179) 2.616 2.669 ( 0.000 -4.132 1.082) 4.271 2.669 ( 0.000 4.132 1.082) 4.271 2.884 ( 0.000 -2.753 6.312) 6.886 2.884 ( 0.000 2.753 6.312) 6.886 3.139 ( 0.000 -3.644 -5.141) 6.301 3.139 ( 0.000 3.644 -5.141) 6.301 3.402 ( 0.000 -3.687 -1.819) 4.111 3.402 ( 0.000 3.687 -1.819) 4.111 4.268 ( 0.000 -0.565 -2.211) 2.283 4.268 ( 0.000 0.565 -2.211) 2.283 4.793 ( 0.000 -0.027 7.749) 7.749 4.793 ( 0.000 0.027 7.749) 7.749 5.266 ( 0.000 -0.538 -3.958) 3.994 5.266 ( 0.000 0.538 -3.958) 3.994 5.785 ( 0.000 -4.891 1.706) 5.180 5.785 ( 0.000 4.891 1.706) 5.180 5.985 ( 0.000 -8.063 27.049) 28.225 5.985 ( 0.000 8.063 27.049) 28.225 6.418 ( 0.000 -14.880 1.168) 14.926 6.418 ( 0.000 14.880 1.168) 14.926 6.683 ( 0.000 -2.565 -7.085) 7.535 6.683 ( 0.000 2.565 -7.085) 7.535 6.901 ( 0.000 -22.221 -9.166) 24.038 6.901 ( 0.000 22.221 -9.166) 24.038 7.695 ( 0.000 -10.797 12.471) 16.496 7.695 ( 0.000 10.797 12.471) 16.496 7.940 ( 0.000 -9.760 -12.899) 16.175 7.940 ( 0.000 9.760 -12.899) 16.175 8.611 ( 0.000 -1.432 -2.388) 2.785 8.611 ( 0.000 1.432 -2.388) 2.785 9.011 ( 0.000 -0.775 1.912) 2.063 9.011 ( 0.000 0.775 1.912) 2.063 9.269 ( 0.000 -14.867 24.504) 28.661 9.269 ( 0.000 14.867 24.504) 28.661 9.770 ( 0.000 -13.490 -22.970) 26.639 9.770 ( 0.000 13.490 -22.970) 26.639 10.269 ( 0.000 -1.944 11.672) 11.832 10.269 ( 0.000 1.944 11.672) 11.832 10.697 ( 0.000 -7.087 -11.329) 13.363 10.697 ( 0.000 7.087 -11.329) 13.363 12.828 ( 0.000 -3.915 2.369) 4.576 12.828 ( 0.000 3.915 2.369) 4.576 13.044 ( 0.000 -1.355 1.536) 2.048 13.044 ( 0.000 1.355 1.536) 2.048 15.216 ( 0.000 -4.656 13.572) 14.348 15.216 ( 0.000 4.656 13.572) 14.348 15.421 ( 0.000 -5.662 5.298) 7.754 15.421 ( 0.000 5.662 5.298) 7.754 15.486 ( 0.000 -13.896 -0.419) 13.902 15.486 ( 0.000 13.896 -0.419) 13.902 15.648 ( 0.000 -1.717 -15.256) 15.352 15.648 ( 0.000 1.717 -15.256) 15.352 21.785 ( 0.000 -10.805 18.073) 21.057 21.785 ( 0.000 10.805 18.073) 21.057 22.133 ( 0.000 -11.845 -16.819) 20.572 22.133 ( 0.000 11.845 -16.819) 20.572 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 4.476 -1.932 -7.553) 8.989 2.031 ( 4.476 1.932 -7.553) 8.989 2.580 ( 0.587 -0.708 -2.122) 2.312 2.580 ( 0.587 0.708 -2.122) 2.312 2.698 ( 2.027 -4.958 0.441) 5.374 2.698 ( 2.027 4.958 0.441) 5.374 2.847 ( -4.375 -2.146 3.196) 5.827 2.847 ( -4.375 2.146 3.196) 5.827 3.112 ( -2.256 -1.890 -1.336) 3.232 3.112 ( -2.256 1.890 -1.336) 3.232 3.400 ( -0.034 -3.785 -2.652) 4.622 3.400 ( -0.034 3.785 -2.652) 4.622 4.351 ( 9.066 -1.614 -1.859) 9.395 4.351 ( 9.066 1.614 -1.859) 9.395 4.882 ( 8.214 -0.968 9.984) 12.965 4.882 ( 8.214 0.968 9.984) 12.965 5.280 ( 0.654 -1.667 -4.260) 4.621 5.280 ( 0.654 1.667 -4.260) 4.621 5.695 ( -12.554 -4.294 14.921) 19.967 5.695 ( -12.554 4.294 14.921) 19.967 5.886 ( -4.452 -2.198 11.405) 12.439 5.886 ( -4.452 2.198 11.405) 12.439 6.317 ( -15.770 -4.130 -20.626) 26.291 6.317 ( -15.770 4.130 -20.626) 26.291 6.664 ( 5.110 -15.159 11.483) 19.692 6.664 ( 5.110 15.159 11.483) 19.692 6.978 ( 6.742 -20.624 -9.485) 23.680 6.978 ( 6.742 20.624 -9.485) 23.680 7.650 ( -7.886 -5.965 4.329) 10.794 7.650 ( -7.886 5.965 4.329) 10.794 7.956 ( 6.635 -4.122 -3.833) 8.701 7.956 ( 6.635 4.122 -3.833) 8.701 8.795 ( 14.816 -4.497 -0.448) 15.490 8.795 ( 14.816 4.497 -0.448) 15.490 9.044 ( 3.275 -2.686 3.342) 5.395 9.044 ( 3.275 2.686 3.342) 5.395 9.257 ( -0.924 -17.196 22.043) 27.973 9.257 ( -0.924 17.196 22.043) 27.973 9.729 ( -4.226 -14.864 -22.867) 27.599 9.729 ( -4.226 14.864 -22.867) 27.599 10.253 ( -1.534 -2.571 11.935) 12.305 10.253 ( -1.534 2.571 11.935) 12.305 10.662 ( -3.432 -7.352 -11.534) 14.102 10.662 ( -3.432 7.352 -11.534) 14.102 12.849 ( 2.152 -3.551 2.144) 4.674 12.849 ( 2.152 3.551 2.144) 4.674 13.064 ( 2.027 -1.465 2.030) 3.222 13.064 ( 2.027 1.465 2.030) 3.222 15.077 ( -12.654 -4.627 13.463) 19.047 15.077 ( -12.654 4.627 13.463) 19.047 15.334 ( -10.577 -7.439 -7.688) 15.044 15.334 ( -10.577 7.439 -7.688) 15.044 15.511 ( 2.567 -14.381 4.538) 15.297 15.511 ( 2.567 14.381 4.538) 15.297 15.636 ( -0.498 -10.724 -9.067) 14.052 15.636 ( -0.498 10.724 -9.067) 14.052 21.784 ( -0.299 -10.916 16.096) 19.451 21.784 ( -0.299 10.916 16.096) 19.451 22.105 ( -2.910 -12.159 -15.353) 19.800 22.105 ( -2.910 12.159 -15.353) 19.800 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 6.505 -0.654 -5.261) 8.392 2.140 ( 6.505 0.654 -5.261) 8.392 2.599 ( 0.442 -3.013 -2.175) 3.742 2.599 ( 0.442 3.013 -2.175) 3.742 2.697 ( -3.864 -6.846 0.661) 7.888 2.697 ( -3.864 6.846 0.661) 7.888 2.742 ( -2.474 -6.539 -2.489) 7.421 2.742 ( -2.474 6.539 -2.489) 7.421 3.080 ( -0.937 -3.582 3.105) 4.832 3.080 ( -0.937 3.582 3.105) 4.832 3.398 ( -0.504 -3.294 -3.542) 4.863 3.398 ( -0.504 3.294 -3.542) 4.863 4.585 ( 11.252 -2.896 1.942) 11.780 4.585 ( 11.252 2.896 1.942) 11.780 4.944 ( -7.059 -1.857 19.510) 20.830 4.944 ( -7.059 1.857 19.510) 20.830 5.288 ( 1.916 -3.228 -9.712) 10.412 5.288 ( 1.916 3.228 -9.712) 10.412 5.445 ( -9.253 -3.918 5.117) 11.276 5.445 ( -9.253 3.918 5.117) 11.276 5.808 ( -7.301 -5.488 -4.026) 9.981 5.808 ( -7.301 5.488 -4.026) 9.981 5.968 ( -11.777 -8.047 -12.214) 18.779 5.968 ( -11.777 8.047 -12.214) 18.779 6.849 ( 11.818 -12.901 13.340) 22.001 6.849 ( 11.818 12.901 13.340) 22.001 7.102 ( 4.525 -17.896 -7.534) 19.938 7.102 ( 4.525 17.896 -7.534) 19.938 7.533 ( -1.104 -2.318 -1.397) 2.923 7.533 ( -1.104 2.318 -1.397) 2.923 8.087 ( 4.451 -0.423 -0.073) 4.471 8.087 ( 4.451 0.423 -0.073) 4.471 9.044 ( 6.913 -11.622 8.631) 16.042 9.044 ( 6.913 11.622 8.631) 16.042 9.115 ( 5.200 -2.146 7.869) 9.673 9.115 ( 5.200 2.146 7.869) 9.673 9.276 ( 4.619 -13.133 6.195) 15.238 9.276 ( 4.619 13.133 6.195) 15.238 9.623 ( -6.155 -17.094 -17.946) 25.537 9.623 ( -6.155 17.094 -17.946) 25.537 10.221 ( -1.423 -3.644 10.528) 11.232 10.221 ( -1.423 3.644 10.528) 11.232 10.577 ( -5.250 -8.004 -11.115) 14.668 10.577 ( -5.250 8.004 -11.115) 14.668 12.909 ( 4.143 -2.364 2.486) 5.379 12.909 ( 4.143 2.364 2.486) 5.379 13.112 ( 2.627 -2.195 2.523) 4.253 13.112 ( 2.627 2.195 2.523) 4.253 14.792 ( -15.923 -5.792 10.373) 19.866 14.792 ( -15.923 5.792 10.373) 19.866 15.046 ( -18.149 -4.380 -14.159) 23.432 15.046 ( -18.149 4.380 -14.159) 23.432 15.561 ( 2.457 -17.915 3.966) 18.513 15.561 ( 2.457 17.915 3.966) 18.513 15.638 ( 0.497 -19.840 -3.710) 20.190 15.638 ( 0.497 19.840 -3.710) 20.190 21.768 ( -1.287 -11.259 10.984) 15.782 21.768 ( -1.287 11.259 10.984) 15.782 22.026 ( -5.220 -12.740 -11.586) 17.995 22.026 ( -5.220 12.740 -11.586) 17.995 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 6.425 -0.536 -0.889) 6.508 2.268 ( 6.425 0.536 -0.889) 6.508 2.512 ( -6.111 -4.564 -2.338) 7.977 2.512 ( -6.111 4.564 -2.338) 7.977 2.720 ( 5.209 -0.941 -1.103) 5.406 2.720 ( 5.208 0.941 -1.103) 5.406 2.763 ( 4.434 -2.090 -1.667) 5.177 2.763 ( 4.434 2.090 -1.667) 5.177 3.063 ( -1.144 -4.303 2.700) 5.207 3.063 ( -1.144 4.303 2.700) 5.207 3.362 ( -3.903 -2.776 -2.729) 5.512 3.362 ( -3.903 2.776 -2.729) 5.512 4.425 ( -19.707 -2.123 15.520) 25.174 4.425 ( -19.707 2.123 15.520) 25.174 4.896 ( -23.374 -5.222 -23.874) 33.817 4.896 ( -23.374 5.222 -23.874) 33.817 5.097 ( 9.160 -4.328 0.547) 10.146 5.097 ( 9.160 4.328 0.547) 10.146 5.522 ( 6.915 -1.626 1.781) 7.323 5.522 ( 6.915 1.626 1.781) 7.323 5.757 ( 3.372 -2.877 -0.948) 4.533 5.757 ( 3.372 2.877 -0.948) 4.533 5.894 ( -0.040 -3.016 0.222) 3.024 5.894 ( -0.040 3.016 0.222) 3.024 7.042 ( 6.363 -9.455 7.808) 13.814 7.042 ( 6.363 9.455 7.808) 13.814 7.136 ( 1.068 -13.271 0.490) 13.323 7.136 ( 1.068 13.271 0.490) 13.323 7.630 ( 9.460 -2.690 -6.785) 11.949 7.630 ( 9.460 2.690 -6.785) 11.949 8.102 ( -2.521 -1.417 0.385) 2.917 8.102 ( -2.521 1.417 0.385) 2.917 9.052 ( -0.620 -15.211 14.048) 20.715 9.052 ( -0.620 15.211 14.048) 20.715 9.239 ( 3.654 -10.474 3.411) 11.606 9.239 ( 3.654 10.474 3.411) 11.606 9.393 ( 4.956 -14.169 -8.623) 17.311 9.393 ( 4.956 14.169 -8.623) 17.311 9.531 ( -2.228 -10.833 -4.487) 11.935 9.531 ( -2.228 10.833 -4.487) 11.935 10.213 ( 0.920 -5.147 7.271) 8.955 10.213 ( 0.920 5.147 7.271) 8.955 10.471 ( -5.676 -9.096 -8.116) 13.447 10.471 ( -5.676 9.096 -8.116) 13.447 13.001 ( 5.236 -1.436 3.527) 6.474 13.001 ( 5.236 1.436 3.527) 6.474 13.151 ( 1.194 -3.228 2.583) 4.303 13.151 ( 1.194 3.228 2.583) 4.303 14.516 ( -11.824 -6.647 4.200) 14.200 14.516 ( -11.824 6.647 4.200) 14.200 14.698 ( -16.989 -5.681 -13.681) 22.541 14.698 ( -16.989 5.681 -13.681) 22.541 15.604 ( 2.001 -20.720 2.569) 20.974 15.604 ( 2.001 20.720 2.569) 20.974 15.648 ( 0.423 -22.745 -1.679) 22.810 15.648 ( 0.423 22.745 -1.679) 22.810 21.743 ( -0.990 -11.722 5.039) 12.797 21.743 ( -0.990 11.722 5.039) 12.797 21.915 ( -6.132 -12.967 -7.310) 16.099 21.915 ( -6.132 12.967 -7.310) 16.099 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 3.822 -1.491 1.791) 4.476 2.365 ( 3.822 1.491 1.791) 4.476 2.428 ( -3.172 -3.486 -1.106) 4.841 2.428 ( -3.172 3.486 -1.106) 4.841 2.837 ( 6.818 -2.260 1.573) 7.353 2.837 ( 6.818 2.260 1.573) 7.353 2.897 ( 4.963 -3.191 -0.042) 5.900 2.897 ( 4.963 3.191 -0.042) 5.900 3.051 ( 2.807 -1.818 0.961) 3.479 3.051 ( 2.807 1.818 0.961) 3.479 3.226 ( -10.359 -3.241 0.505) 10.866 3.226 ( -10.359 3.241 0.505) 10.866 4.182 ( -2.030 -0.318 -2.923) 3.573 4.182 ( -2.030 0.318 -2.923) 3.573 4.386 ( -21.947 -1.736 -21.133) 30.517 4.386 ( -21.947 1.736 -21.133) 30.517 5.355 ( 12.315 -0.490 1.647) 12.434 5.355 ( 12.315 0.490 1.647) 12.434 5.531 ( -5.478 -1.127 1.076) 5.695 5.531 ( -5.478 1.127 1.076) 5.695 5.856 ( 5.356 -1.478 1.712) 5.815 5.856 ( 5.356 1.478 1.712) 5.815 5.912 ( 0.006 -2.168 1.673) 2.739 5.912 ( 0.006 2.168 1.673) 2.739 7.102 ( 2.649 -2.565 1.712) 4.065 7.102 ( 2.649 2.565 1.712) 4.065 7.153 ( -1.312 -4.087 3.264) 5.393 7.153 ( -1.312 4.087 3.264) 5.393 7.830 ( 10.523 -1.972 -4.941) 11.791 7.830 ( 10.523 1.972 -4.941) 11.791 8.006 ( -7.395 -2.415 -1.125) 7.860 8.006 ( -7.395 2.415 -1.125) 7.860 9.091 ( 4.945 -16.883 9.337) 19.917 9.091 ( 4.945 16.883 9.337) 19.917 9.207 ( -5.697 -17.127 5.755) 18.945 9.207 ( -5.697 17.127 5.755) 18.945 9.466 ( 3.697 -20.059 -8.259) 22.006 9.466 ( 3.697 20.059 -8.259) 22.006 9.519 ( -1.243 -12.323 -5.010) 13.361 9.519 ( -1.243 12.323 -5.010) 13.361 10.265 ( 4.352 -8.019 3.529) 9.782 10.265 ( 4.352 8.019 3.529) 9.782 10.363 ( -5.571 -9.760 -2.380) 11.488 10.363 ( -5.571 9.760 -2.380) 11.488 13.095 ( 4.170 -2.667 3.820) 6.253 13.095 ( 4.170 2.667 3.820) 6.253 13.150 ( -1.478 -3.574 3.055) 4.928 13.150 ( -1.478 3.574 3.055) 4.928 14.376 ( -2.225 -6.928 -3.020) 7.879 14.376 ( -2.225 6.928 -3.020) 7.879 14.442 ( -8.963 -6.540 -9.442) 14.570 14.442 ( -8.963 6.540 -9.442) 14.570 15.635 ( 1.237 -22.696 1.114) 22.757 15.635 ( 1.237 22.696 1.114) 22.757 15.650 ( -0.295 -23.459 -0.296) 23.463 15.650 ( -0.295 23.459 -0.296) 23.463 21.746 ( 1.581 -12.233 0.155) 12.336 21.746 ( 1.581 12.233 0.155) 12.336 21.807 ( -4.723 -12.719 -3.620) 14.042 21.807 ( -4.723 12.719 -3.620) 14.042 =================== 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 3/29160 10.0 1992.143 1542.339 2423.410 0.000 0.000 -0.000 3/29160 20.0 294.668 231.172 257.891 0.000 0.000 -0.000 3/29160 30.0 93.267 85.922 78.968 0.000 0.000 -0.000 3/29160 40.0 44.714 44.614 38.204 0.000 0.000 -0.000 3/29160 50.0 27.337 28.318 23.672 0.000 0.000 -0.000 3/29160 60.0 19.293 20.326 16.930 0.000 0.000 -0.000 3/29160 70.0 14.867 15.778 13.209 0.000 0.000 -0.000 3/29160 80.0 12.122 12.906 10.892 0.000 0.000 -0.000 3/29160 90.0 10.269 10.949 9.318 0.000 0.000 -0.000 3/29160 100.0 8.936 9.535 8.179 0.000 0.000 -0.000 3/29160 110.0 7.932 8.466 7.314 0.000 0.000 -0.000 3/29160 120.0 7.147 7.630 6.633 0.000 0.000 -0.000 3/29160 130.0 6.515 6.956 6.081 0.000 0.000 -0.000 3/29160 140.0 5.994 6.401 5.622 0.000 0.000 -0.000 3/29160 150.0 5.556 5.935 5.235 0.000 0.000 -0.000 3/29160 160.0 5.182 5.537 4.901 0.000 0.000 -0.000 3/29160 170.0 4.859 5.193 4.612 0.000 0.000 -0.000 3/29160 180.0 4.577 4.891 4.356 0.000 0.000 -0.000 3/29160 190.0 4.327 4.625 4.130 0.000 0.000 -0.000 3/29160 200.0 4.104 4.388 3.927 0.000 0.000 -0.000 3/29160 210.0 3.905 4.176 3.744 0.000 0.000 -0.000 3/29160 220.0 3.725 3.984 3.579 0.000 0.000 -0.000 3/29160 230.0 3.561 3.809 3.428 0.000 0.000 -0.000 3/29160 240.0 3.412 3.650 3.289 0.000 0.000 -0.000 3/29160 250.0 3.275 3.504 3.162 0.000 0.000 -0.000 3/29160 260.0 3.149 3.370 3.044 0.000 0.000 -0.000 3/29160 270.0 3.033 3.245 2.935 0.000 0.000 -0.000 3/29160 280.0 2.925 3.130 2.834 0.000 0.000 -0.000 3/29160 290.0 2.825 3.023 2.739 0.000 0.000 -0.000 3/29160 300.0 2.731 2.923 2.651 0.000 0.000 -0.000 3/29160 310.0 2.644 2.830 2.569 0.000 0.000 -0.000 3/29160 320.0 2.562 2.743 2.491 0.000 0.000 -0.000 3/29160 330.0 2.485 2.660 2.418 0.000 0.000 -0.000 3/29160 340.0 2.413 2.583 2.349 0.000 0.000 -0.000 3/29160 350.0 2.345 2.510 2.284 0.000 0.000 -0.000 3/29160 360.0 2.280 2.441 2.223 0.000 0.000 -0.000 3/29160 370.0 2.219 2.376 2.164 0.000 0.000 -0.000 3/29160 380.0 2.162 2.315 2.109 0.000 0.000 -0.000 3/29160 390.0 2.107 2.256 2.057 0.000 0.000 -0.000 3/29160 400.0 2.055 2.200 2.007 0.000 0.000 -0.000 3/29160 410.0 2.005 2.147 1.959 0.000 0.000 -0.000 3/29160 420.0 1.958 2.097 1.914 0.000 0.000 -0.000 3/29160 430.0 1.913 2.049 1.870 0.000 0.000 -0.000 3/29160 440.0 1.870 2.003 1.829 0.000 0.000 -0.000 3/29160 450.0 1.829 1.959 1.789 0.000 0.000 -0.000 3/29160 460.0 1.790 1.917 1.751 0.000 0.000 -0.000 3/29160 470.0 1.752 1.876 1.715 0.000 0.000 -0.000 3/29160 480.0 1.716 1.838 1.680 0.000 0.000 -0.000 3/29160 490.0 1.682 1.801 1.646 0.000 0.000 -0.000 3/29160 500.0 1.648 1.765 1.614 0.000 0.000 -0.000 3/29160 510.0 1.616 1.731 1.583 0.000 0.000 -0.000 3/29160 520.0 1.586 1.698 1.553 0.000 0.000 -0.000 3/29160 530.0 1.556 1.666 1.525 0.000 0.000 -0.000 3/29160 540.0 1.527 1.636 1.497 0.000 0.000 -0.000 3/29160 550.0 1.500 1.606 1.470 0.000 0.000 -0.000 3/29160 560.0 1.473 1.578 1.445 0.000 0.000 -0.000 3/29160 570.0 1.448 1.551 1.420 0.000 0.000 -0.000 3/29160 580.0 1.423 1.524 1.396 0.000 0.000 -0.000 3/29160 590.0 1.399 1.498 1.372 0.000 0.000 -0.000 3/29160 600.0 1.376 1.474 1.350 0.000 0.000 -0.000 3/29160 610.0 1.354 1.450 1.328 0.000 0.000 -0.000 3/29160 620.0 1.332 1.427 1.307 0.000 0.000 -0.000 3/29160 630.0 1.311 1.404 1.287 0.000 0.000 -0.000 3/29160 640.0 1.291 1.382 1.267 0.000 0.000 -0.000 3/29160 650.0 1.271 1.361 1.248 0.000 0.000 -0.000 3/29160 660.0 1.252 1.341 1.229 0.000 0.000 -0.000 3/29160 670.0 1.234 1.321 1.211 0.000 0.000 -0.000 3/29160 680.0 1.216 1.302 1.193 0.000 0.000 -0.000 3/29160 690.0 1.198 1.283 1.176 0.000 0.000 -0.000 3/29160 700.0 1.181 1.265 1.160 0.000 0.000 -0.000 3/29160 710.0 1.165 1.247 1.144 0.000 0.000 -0.000 3/29160 720.0 1.149 1.230 1.128 0.000 0.000 -0.000 3/29160 730.0 1.133 1.213 1.113 0.000 0.000 -0.000 3/29160 740.0 1.118 1.197 1.098 0.000 0.000 -0.000 3/29160 750.0 1.103 1.181 1.083 0.000 0.000 -0.000 3/29160 760.0 1.089 1.166 1.069 0.000 0.000 -0.000 3/29160 770.0 1.075 1.151 1.056 0.000 0.000 -0.000 3/29160 780.0 1.061 1.136 1.042 0.000 0.000 -0.000 3/29160 790.0 1.048 1.122 1.029 0.000 0.000 -0.000 3/29160 800.0 1.035 1.108 1.017 0.000 0.000 -0.000 3/29160 810.0 1.022 1.094 1.004 0.000 0.000 -0.000 3/29160 820.0 1.009 1.081 0.992 0.000 0.000 -0.000 3/29160 830.0 0.997 1.068 0.980 0.000 0.000 -0.000 3/29160 840.0 0.986 1.055 0.969 0.000 0.000 -0.000 3/29160 850.0 0.974 1.043 0.957 0.000 0.000 -0.000 3/29160 860.0 0.963 1.031 0.946 0.000 0.000 -0.000 3/29160 870.0 0.952 1.019 0.936 0.000 0.000 -0.000 3/29160 880.0 0.941 1.008 0.925 0.000 0.000 -0.000 3/29160 890.0 0.930 0.996 0.915 0.000 0.000 -0.000 3/29160 900.0 0.920 0.985 0.905 0.000 0.000 -0.000 3/29160 910.0 0.910 0.975 0.895 0.000 0.000 -0.000 3/29160 920.0 0.900 0.964 0.885 0.000 0.000 -0.000 3/29160 930.0 0.891 0.954 0.876 0.000 0.000 -0.000 3/29160 940.0 0.881 0.944 0.866 0.000 0.000 -0.000 3/29160 950.0 0.872 0.934 0.857 0.000 0.000 -0.000 3/29160 960.0 0.863 0.924 0.849 0.000 0.000 -0.000 3/29160 970.0 0.854 0.915 0.840 0.000 0.000 -0.000 3/29160 980.0 0.845 0.905 0.831 0.000 0.000 -0.000 3/29160 990.0 0.837 0.896 0.823 0.000 0.000 -0.000 3/29160 1000.0 0.829 0.887 0.815 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:10:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|