----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:03:04]------------------------- 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 5.500174180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.770109540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.502052520000000 Atomic positions (fractional): *1 O 0.28029603020445 0.46002373644701 0.72047127418363 15.999 2 O 0.21970396979555 0.53997626355299 0.22047127418363 15.999 3 O 0.78029603020445 0.03997626355299 0.77952872581637 15.999 4 O 0.71970396979555 0.96002373644701 0.27952872581637 15.999 5 O 0.71970396979555 0.53997626355299 0.27952872581637 15.999 6 O 0.78029603020445 0.46002373644701 0.77952872581637 15.999 7 O 0.21970396979555 0.96002373644701 0.22047127418363 15.999 8 O 0.28029603020445 0.03997626355299 0.72047127418363 15.999 *9 O 0.48776234356953 0.25000000000000 0.07404659133413 15.999 10 O 0.01223765643047 0.75000000000000 0.57404659133412 15.999 11 O 0.98776234356953 0.25000000000000 0.42595340866587 15.999 12 O 0.51223765643047 0.75000000000000 0.92595340866588 15.999 *13 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 14 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 15 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 16 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 *17 La 0.47140119429682 0.75000000000000 0.49310815180306 138.905 18 La 0.02859880570318 0.25000000000000 0.99310815180306 138.905 19 La 0.97140119429682 0.75000000000000 0.00689184819694 138.905 20 La 0.52859880570318 0.25000000000000 0.50689184819694 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.500174180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.770109540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.502052520000000 Atomic positions (fractional): *1 O 0.28029603020445 0.46002373644701 0.72047127418363 15.999 > 1 2 O 0.21970396979555 0.53997626355299 0.22047127418363 15.999 > 2 3 O 0.78029603020445 0.03997626355299 0.77952872581637 15.999 > 3 4 O 0.71970396979555 0.96002373644701 0.27952872581637 15.999 > 4 5 O 0.71970396979555 0.53997626355299 0.27952872581637 15.999 > 5 6 O 0.78029603020445 0.46002373644701 0.77952872581637 15.999 > 6 7 O 0.21970396979555 0.96002373644701 0.22047127418363 15.999 > 7 8 O 0.28029603020445 0.03997626355299 0.72047127418363 15.999 > 8 *9 O 0.48776234356953 0.25000000000000 0.07404659133413 15.999 > 9 10 O 0.01223765643047 0.75000000000000 0.57404659133412 15.999 > 10 11 O 0.98776234356953 0.25000000000000 0.42595340866587 15.999 > 11 12 O 0.51223765643047 0.75000000000000 0.92595340866588 15.999 > 12 *13 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 13 14 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 14 15 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 15 16 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 16 *17 La 0.47140119429682 0.75000000000000 0.49310815180306 138.905 > 17 18 La 0.02859880570318 0.25000000000000 0.99310815180306 138.905 > 18 19 La 0.97140119429682 0.75000000000000 0.00689184819694 138.905 > 19 20 La 0.52859880570318 0.25000000000000 0.50689184819694 138.905 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.000348360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.770109540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.004105040000001 Atomic positions (fractional): *1 O 0.14014801510223 0.46002373644701 0.36023563709181 15.999 > 1 2 O 0.64014801510223 0.46002373644701 0.36023563709181 15.999 > 1 3 O 0.14014801510223 0.46002373644701 0.86023563709181 15.999 > 1 4 O 0.64014801510223 0.46002373644701 0.86023563709181 15.999 > 1 5 O 0.10985198489777 0.53997626355299 0.11023563709181 15.999 > 2 6 O 0.60985198489777 0.53997626355299 0.11023563709181 15.999 > 2 7 O 0.10985198489777 0.53997626355299 0.61023563709181 15.999 > 2 8 O 0.60985198489777 0.53997626355299 0.61023563709181 15.999 > 2 9 O 0.39014801510223 0.03997626355299 0.38976436290819 15.999 > 3 10 O 0.89014801510223 0.03997626355299 0.38976436290819 15.999 > 3 11 O 0.39014801510223 0.03997626355299 0.88976436290819 15.999 > 3 12 O 0.89014801510223 0.03997626355299 0.88976436290819 15.999 > 3 13 O 0.35985198489777 0.96002373644701 0.13976436290819 15.999 > 4 14 O 0.85985198489777 0.96002373644701 0.13976436290819 15.999 > 4 15 O 0.35985198489777 0.96002373644701 0.63976436290819 15.999 > 4 16 O 0.85985198489777 0.96002373644701 0.63976436290819 15.999 > 4 17 O 0.35985198489777 0.53997626355299 0.13976436290819 15.999 > 5 18 O 0.85985198489777 0.53997626355299 0.13976436290819 15.999 > 5 19 O 0.35985198489777 0.53997626355299 0.63976436290819 15.999 > 5 20 O 0.85985198489777 0.53997626355299 0.63976436290819 15.999 > 5 21 O 0.39014801510223 0.46002373644701 0.38976436290819 15.999 > 6 22 O 0.89014801510223 0.46002373644701 0.38976436290819 15.999 > 6 23 O 0.39014801510223 0.46002373644701 0.88976436290819 15.999 > 6 24 O 0.89014801510223 0.46002373644701 0.88976436290819 15.999 > 6 25 O 0.10985198489777 0.96002373644701 0.11023563709181 15.999 > 7 26 O 0.60985198489777 0.96002373644701 0.11023563709181 15.999 > 7 27 O 0.10985198489777 0.96002373644701 0.61023563709181 15.999 > 7 28 O 0.60985198489777 0.96002373644701 0.61023563709181 15.999 > 7 29 O 0.14014801510223 0.03997626355299 0.36023563709181 15.999 > 8 30 O 0.64014801510223 0.03997626355299 0.36023563709181 15.999 > 8 31 O 0.14014801510223 0.03997626355299 0.86023563709181 15.999 > 8 32 O 0.64014801510223 0.03997626355299 0.86023563709181 15.999 > 8 *33 O 0.24388117178476 0.25000000000000 0.03702329566706 15.999 > 9 34 O 0.74388117178476 0.25000000000000 0.03702329566706 15.999 > 9 35 O 0.24388117178476 0.25000000000000 0.53702329566706 15.999 > 9 36 O 0.74388117178476 0.25000000000000 0.53702329566706 15.999 > 9 37 O 0.00611882821524 0.75000000000000 0.28702329566706 15.999 > 10 38 O 0.50611882821524 0.75000000000000 0.28702329566706 15.999 > 10 39 O 0.00611882821524 0.75000000000000 0.78702329566706 15.999 > 10 40 O 0.50611882821524 0.75000000000000 0.78702329566706 15.999 > 10 41 O 0.49388117178476 0.25000000000000 0.21297670433294 15.999 > 11 42 O 0.99388117178476 0.25000000000000 0.21297670433294 15.999 > 11 43 O 0.49388117178476 0.25000000000000 0.71297670433294 15.999 > 11 44 O 0.99388117178476 0.25000000000000 0.71297670433294 15.999 > 11 45 O 0.25611882821524 0.75000000000000 0.46297670433294 15.999 > 12 46 O 0.75611882821524 0.75000000000000 0.46297670433294 15.999 > 12 47 O 0.25611882821524 0.75000000000000 0.96297670433294 15.999 > 12 48 O 0.75611882821524 0.75000000000000 0.96297670433294 15.999 > 12 *49 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 13 50 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 13 51 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 13 52 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 13 53 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 14 54 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 14 55 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 14 56 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 14 57 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 15 58 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 15 59 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 15 60 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 15 61 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 16 62 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 16 63 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 16 64 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 16 *65 La 0.23570059714841 0.75000000000000 0.24655407590153 138.905 > 17 66 La 0.73570059714841 0.75000000000000 0.24655407590153 138.905 > 17 67 La 0.23570059714841 0.75000000000000 0.74655407590153 138.905 > 17 68 La 0.73570059714841 0.75000000000000 0.74655407590153 138.905 > 17 69 La 0.01429940285159 0.25000000000000 0.49655407590153 138.905 > 18 70 La 0.51429940285159 0.25000000000000 0.49655407590153 138.905 > 18 71 La 0.01429940285159 0.25000000000000 0.99655407590153 138.905 > 18 72 La 0.51429940285159 0.25000000000000 0.99655407590153 138.905 > 18 73 La 0.48570059714841 0.75000000000000 0.00344592409847 138.905 > 19 74 La 0.98570059714841 0.75000000000000 0.00344592409847 138.905 > 19 75 La 0.48570059714841 0.75000000000000 0.50344592409847 138.905 > 19 76 La 0.98570059714841 0.75000000000000 0.50344592409847 138.905 > 19 77 La 0.26429940285159 0.25000000000000 0.25344592409847 138.905 > 20 78 La 0.76429940285159 0.25000000000000 0.25344592409847 138.905 > 20 79 La 0.26429940285159 0.25000000000000 0.75344592409847 138.905 > 20 80 La 0.76429940285159 0.25000000000000 0.75344592409847 138.905 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9375857 0.0000000 0.0000000 0.0000000 4.9026330 0.0000000 0.0000000 0.0000000 5.0591941 -------------------------- Born effective charges -------------------------- 1 O -2.6777486 0.0629831 -0.1567711 0.1079684 -2.4014560 0.0237548 -0.1458694 0.0378223 -2.6584111 2 O -2.6777486 0.0629831 0.1567711 0.1079684 -2.4014560 -0.0237548 0.1458694 -0.0378223 -2.6584111 3 O -2.6777486 -0.0629831 0.1567711 -0.1079684 -2.4014560 0.0237548 0.1458694 0.0378223 -2.6584111 4 O -2.6777486 -0.0629831 -0.1567711 -0.1079684 -2.4014560 -0.0237548 -0.1458694 -0.0378223 -2.6584111 5 O -2.6777486 0.0629831 -0.1567711 0.1079684 -2.4014560 0.0237548 -0.1458694 0.0378223 -2.6584111 6 O -2.6777486 0.0629831 0.1567711 0.1079684 -2.4014560 -0.0237548 0.1458694 -0.0378223 -2.6584111 7 O -2.6777486 -0.0629831 0.1567711 -0.1079684 -2.4014560 0.0237548 0.1458694 0.0378223 -2.6584111 8 O -2.6777486 -0.0629831 -0.1567711 -0.1079684 -2.4014560 -0.0237548 -0.1458694 -0.0378223 -2.6584111 9 O -2.2967103 0.0000000 -0.1502512 0.0000000 -2.7891600 0.0000000 -0.1937450 0.0000000 -2.6751733 10 O -2.2967103 0.0000000 0.1502512 0.0000000 -2.7891600 0.0000000 0.1937450 0.0000000 -2.6751733 11 O -2.2967103 0.0000000 0.1502512 0.0000000 -2.7891600 0.0000000 0.1937450 0.0000000 -2.6751733 12 O -2.2967103 0.0000000 -0.1502512 0.0000000 -2.7891600 0.0000000 -0.1937450 0.0000000 -2.6751733 13 Ga 3.2303019 0.0898906 -0.0747944 0.0063505 3.2880347 0.1205966 -0.0398413 -0.0001869 3.2821247 14 Ga 3.2303019 0.0898906 0.0747944 0.0063505 3.2880347 -0.1205966 0.0398413 0.0001869 3.2821247 15 Ga 3.2303019 -0.0898906 0.0747944 -0.0063505 3.2880347 0.1205966 0.0398413 -0.0001869 3.2821247 16 Ga 3.2303019 -0.0898906 -0.0747944 -0.0063505 3.2880347 -0.1205966 -0.0398413 0.0001869 3.2821247 17 La 4.4219057 0.0000000 -0.1346349 0.0000000 4.3040373 0.0000000 -0.2728553 0.0000000 4.7098709 18 La 4.4219057 0.0000000 0.1346349 0.0000000 4.3040373 0.0000000 0.2728553 0.0000000 4.7098709 19 La 4.4219057 0.0000000 0.1346349 0.0000000 4.3040373 0.0000000 0.2728553 0.0000000 4.7098709 20 La 4.4219057 0.0000000 -0.1346349 0.0000000 4.3040373 0.0000000 -0.2728553 0.0000000 4.7098709 ---------------------------------------------------------------------------- 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: 0.799 Solver_block: 200 / 320 - Time: 0.806 Solver_block: 300 / 320 - Time: 0.783 Solver_block: 320 / 320 - Time: 0.230 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.731 --------------------------------- 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 21:03:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:20]------------------------- 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 5.500174180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.770109540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.502052520000000 Atomic positions (fractional): 1 O 0.28029603020445 0.46002373644701 0.72047127418363 15.999 2 O 0.21970396979555 0.53997626355299 0.22047127418363 15.999 3 O 0.78029603020445 0.03997626355299 0.77952872581637 15.999 4 O 0.71970396979555 0.96002373644701 0.27952872581637 15.999 5 O 0.71970396979555 0.53997626355299 0.27952872581637 15.999 6 O 0.78029603020445 0.46002373644701 0.77952872581637 15.999 7 O 0.21970396979555 0.96002373644701 0.22047127418363 15.999 8 O 0.28029603020445 0.03997626355299 0.72047127418363 15.999 9 O 0.48776234356953 0.25000000000000 0.07404659133413 15.999 10 O 0.01223765643047 0.75000000000000 0.57404659133412 15.999 11 O 0.98776234356953 0.25000000000000 0.42595340866587 15.999 12 O 0.51223765643047 0.75000000000000 0.92595340866588 15.999 13 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 14 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 15 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 16 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 17 La 0.47140119429682 0.75000000000000 0.49310815180306 138.905 18 La 0.02859880570318 0.25000000000000 0.99310815180306 138.905 19 La 0.97140119429682 0.75000000000000 0.00689184819694 138.905 20 La 0.52859880570318 0.25000000000000 0.50689184819694 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.000348360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.770109540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.004105040000001 Atomic positions (fractional): 1 O 0.14014801510223 0.46002373644701 0.36023563709181 15.999 > 1 2 O 0.64014801510223 0.46002373644701 0.36023563709181 15.999 > 1 3 O 0.14014801510223 0.46002373644701 0.86023563709181 15.999 > 1 4 O 0.64014801510223 0.46002373644701 0.86023563709181 15.999 > 1 5 O 0.10985198489777 0.53997626355299 0.11023563709181 15.999 > 5 6 O 0.60985198489777 0.53997626355299 0.11023563709181 15.999 > 5 7 O 0.10985198489777 0.53997626355299 0.61023563709181 15.999 > 5 8 O 0.60985198489777 0.53997626355299 0.61023563709181 15.999 > 5 9 O 0.39014801510223 0.03997626355299 0.38976436290819 15.999 > 9 10 O 0.89014801510223 0.03997626355299 0.38976436290819 15.999 > 9 11 O 0.39014801510223 0.03997626355299 0.88976436290819 15.999 > 9 12 O 0.89014801510223 0.03997626355299 0.88976436290819 15.999 > 9 13 O 0.35985198489777 0.96002373644701 0.13976436290819 15.999 > 13 14 O 0.85985198489777 0.96002373644701 0.13976436290819 15.999 > 13 15 O 0.35985198489777 0.96002373644701 0.63976436290819 15.999 > 13 16 O 0.85985198489777 0.96002373644701 0.63976436290819 15.999 > 13 17 O 0.35985198489777 0.53997626355299 0.13976436290819 15.999 > 17 18 O 0.85985198489777 0.53997626355299 0.13976436290819 15.999 > 17 19 O 0.35985198489777 0.53997626355299 0.63976436290819 15.999 > 17 20 O 0.85985198489777 0.53997626355299 0.63976436290819 15.999 > 17 21 O 0.39014801510223 0.46002373644701 0.38976436290819 15.999 > 21 22 O 0.89014801510223 0.46002373644701 0.38976436290819 15.999 > 21 23 O 0.39014801510223 0.46002373644701 0.88976436290819 15.999 > 21 24 O 0.89014801510223 0.46002373644701 0.88976436290819 15.999 > 21 25 O 0.10985198489777 0.96002373644701 0.11023563709181 15.999 > 25 26 O 0.60985198489777 0.96002373644701 0.11023563709181 15.999 > 25 27 O 0.10985198489777 0.96002373644701 0.61023563709181 15.999 > 25 28 O 0.60985198489777 0.96002373644701 0.61023563709181 15.999 > 25 29 O 0.14014801510223 0.03997626355299 0.36023563709181 15.999 > 29 30 O 0.64014801510223 0.03997626355299 0.36023563709181 15.999 > 29 31 O 0.14014801510223 0.03997626355299 0.86023563709181 15.999 > 29 32 O 0.64014801510223 0.03997626355299 0.86023563709181 15.999 > 29 33 O 0.24388117178476 0.25000000000000 0.03702329566706 15.999 > 33 34 O 0.74388117178476 0.25000000000000 0.03702329566706 15.999 > 33 35 O 0.24388117178476 0.25000000000000 0.53702329566706 15.999 > 33 36 O 0.74388117178476 0.25000000000000 0.53702329566706 15.999 > 33 37 O 0.00611882821524 0.75000000000000 0.28702329566706 15.999 > 37 38 O 0.50611882821524 0.75000000000000 0.28702329566706 15.999 > 37 39 O 0.00611882821524 0.75000000000000 0.78702329566706 15.999 > 37 40 O 0.50611882821524 0.75000000000000 0.78702329566706 15.999 > 37 41 O 0.49388117178476 0.25000000000000 0.21297670433294 15.999 > 41 42 O 0.99388117178476 0.25000000000000 0.21297670433294 15.999 > 41 43 O 0.49388117178476 0.25000000000000 0.71297670433294 15.999 > 41 44 O 0.99388117178476 0.25000000000000 0.71297670433294 15.999 > 41 45 O 0.25611882821524 0.75000000000000 0.46297670433294 15.999 > 45 46 O 0.75611882821524 0.75000000000000 0.46297670433294 15.999 > 45 47 O 0.25611882821524 0.75000000000000 0.96297670433294 15.999 > 45 48 O 0.75611882821524 0.75000000000000 0.96297670433294 15.999 > 45 49 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 49 50 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 49 51 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 49 52 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 49 53 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 53 54 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 53 55 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 53 56 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 53 57 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 57 58 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 57 59 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 57 60 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 57 61 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 61 62 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 61 63 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 61 64 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 61 65 La 0.23570059714841 0.75000000000000 0.24655407590153 138.905 > 65 66 La 0.73570059714841 0.75000000000000 0.24655407590153 138.905 > 65 67 La 0.23570059714841 0.75000000000000 0.74655407590153 138.905 > 65 68 La 0.73570059714841 0.75000000000000 0.74655407590153 138.905 > 65 69 La 0.01429940285159 0.25000000000000 0.49655407590153 138.905 > 69 70 La 0.51429940285159 0.25000000000000 0.49655407590153 138.905 > 69 71 La 0.01429940285159 0.25000000000000 0.99655407590153 138.905 > 69 72 La 0.51429940285159 0.25000000000000 0.99655407590153 138.905 > 69 73 La 0.48570059714841 0.75000000000000 0.00344592409847 138.905 > 73 74 La 0.98570059714841 0.75000000000000 0.00344592409847 138.905 > 73 75 La 0.48570059714841 0.75000000000000 0.50344592409847 138.905 > 73 76 La 0.98570059714841 0.75000000000000 0.50344592409847 138.905 > 73 77 La 0.26429940285159 0.25000000000000 0.25344592409847 138.905 > 77 78 La 0.76429940285159 0.25000000000000 0.25344592409847 138.905 > 77 79 La 0.26429940285159 0.25000000000000 0.75344592409847 138.905 > 77 80 La 0.76429940285159 0.25000000000000 0.75344592409847 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9375857 0.0000000 0.0000000 0.0000000 4.9026330 0.0000000 0.0000000 0.0000000 5.0591941 -------------------------- Born effective charges -------------------------- 1 O -2.6777486 0.0629831 -0.1567711 0.1079684 -2.4014560 0.0237548 -0.1458694 0.0378223 -2.6584111 2 O -2.6777486 0.0629831 0.1567711 0.1079684 -2.4014560 -0.0237548 0.1458694 -0.0378223 -2.6584111 3 O -2.6777486 -0.0629831 0.1567711 -0.1079684 -2.4014560 0.0237548 0.1458694 0.0378223 -2.6584111 4 O -2.6777486 -0.0629831 -0.1567711 -0.1079684 -2.4014560 -0.0237548 -0.1458694 -0.0378223 -2.6584111 5 O -2.6777486 0.0629831 -0.1567711 0.1079684 -2.4014560 0.0237548 -0.1458694 0.0378223 -2.6584111 6 O -2.6777486 0.0629831 0.1567711 0.1079684 -2.4014560 -0.0237548 0.1458694 -0.0378223 -2.6584111 7 O -2.6777486 -0.0629831 0.1567711 -0.1079684 -2.4014560 0.0237548 0.1458694 0.0378223 -2.6584111 8 O -2.6777486 -0.0629831 -0.1567711 -0.1079684 -2.4014560 -0.0237548 -0.1458694 -0.0378223 -2.6584111 9 O -2.2967103 0.0000000 -0.1502512 0.0000000 -2.7891600 0.0000000 -0.1937450 0.0000000 -2.6751733 10 O -2.2967103 0.0000000 0.1502512 0.0000000 -2.7891600 0.0000000 0.1937450 0.0000000 -2.6751733 11 O -2.2967103 0.0000000 0.1502512 0.0000000 -2.7891600 0.0000000 0.1937450 0.0000000 -2.6751733 12 O -2.2967103 0.0000000 -0.1502512 0.0000000 -2.7891600 0.0000000 -0.1937450 0.0000000 -2.6751733 13 Ga 3.2303019 0.0898906 -0.0747944 0.0063505 3.2880347 0.1205966 -0.0398413 -0.0001869 3.2821247 14 Ga 3.2303019 0.0898906 0.0747944 0.0063505 3.2880347 -0.1205966 0.0398413 0.0001869 3.2821247 15 Ga 3.2303019 -0.0898906 0.0747944 -0.0063505 3.2880347 0.1205966 0.0398413 -0.0001869 3.2821247 16 Ga 3.2303019 -0.0898906 -0.0747944 -0.0063505 3.2880347 -0.1205966 -0.0398413 0.0001869 3.2821247 17 La 4.4219057 0.0000000 -0.1346349 0.0000000 4.3040373 0.0000000 -0.2728553 0.0000000 4.7098709 18 La 4.4219057 0.0000000 0.1346349 0.0000000 4.3040373 0.0000000 0.2728553 0.0000000 4.7098709 19 La 4.4219057 0.0000000 0.1346349 0.0000000 4.3040373 0.0000000 0.2728553 0.0000000 4.7098709 20 La 4.4219057 0.0000000 -0.1346349 0.0000000 4.3040373 0.0000000 -0.2728553 0.0000000 4.7098709 ---------------------------------------------------------------------------- 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 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (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 21:03:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:32]------------------------- 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 5.500174180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.770109540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.502052520000000 Atomic positions (fractional): 1 O 0.28029603020445 0.46002373644701 0.72047127418363 15.999 2 O 0.21970396979555 0.53997626355299 0.22047127418363 15.999 3 O 0.78029603020445 0.03997626355299 0.77952872581637 15.999 4 O 0.71970396979555 0.96002373644701 0.27952872581637 15.999 5 O 0.71970396979555 0.53997626355299 0.27952872581637 15.999 6 O 0.78029603020445 0.46002373644701 0.77952872581637 15.999 7 O 0.21970396979555 0.96002373644701 0.22047127418363 15.999 8 O 0.28029603020445 0.03997626355299 0.72047127418363 15.999 9 O 0.48776234356953 0.25000000000000 0.07404659133413 15.999 10 O 0.01223765643047 0.75000000000000 0.57404659133412 15.999 11 O 0.98776234356953 0.25000000000000 0.42595340866587 15.999 12 O 0.51223765643047 0.75000000000000 0.92595340866588 15.999 13 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 14 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 15 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 16 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 17 La 0.47140119429682 0.75000000000000 0.49310815180306 138.905 18 La 0.02859880570318 0.25000000000000 0.99310815180306 138.905 19 La 0.97140119429682 0.75000000000000 0.00689184819694 138.905 20 La 0.52859880570318 0.25000000000000 0.50689184819694 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.000348360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.770109540000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.004105040000001 Atomic positions (fractional): 1 O 0.14014801510223 0.46002373644701 0.36023563709181 15.999 > 1 2 O 0.64014801510223 0.46002373644701 0.36023563709181 15.999 > 1 3 O 0.14014801510223 0.46002373644701 0.86023563709181 15.999 > 1 4 O 0.64014801510223 0.46002373644701 0.86023563709181 15.999 > 1 5 O 0.10985198489777 0.53997626355299 0.11023563709181 15.999 > 5 6 O 0.60985198489777 0.53997626355299 0.11023563709181 15.999 > 5 7 O 0.10985198489777 0.53997626355299 0.61023563709181 15.999 > 5 8 O 0.60985198489777 0.53997626355299 0.61023563709181 15.999 > 5 9 O 0.39014801510223 0.03997626355299 0.38976436290819 15.999 > 9 10 O 0.89014801510223 0.03997626355299 0.38976436290819 15.999 > 9 11 O 0.39014801510223 0.03997626355299 0.88976436290819 15.999 > 9 12 O 0.89014801510223 0.03997626355299 0.88976436290819 15.999 > 9 13 O 0.35985198489777 0.96002373644701 0.13976436290819 15.999 > 13 14 O 0.85985198489777 0.96002373644701 0.13976436290819 15.999 > 13 15 O 0.35985198489777 0.96002373644701 0.63976436290819 15.999 > 13 16 O 0.85985198489777 0.96002373644701 0.63976436290819 15.999 > 13 17 O 0.35985198489777 0.53997626355299 0.13976436290819 15.999 > 17 18 O 0.85985198489777 0.53997626355299 0.13976436290819 15.999 > 17 19 O 0.35985198489777 0.53997626355299 0.63976436290819 15.999 > 17 20 O 0.85985198489777 0.53997626355299 0.63976436290819 15.999 > 17 21 O 0.39014801510223 0.46002373644701 0.38976436290819 15.999 > 21 22 O 0.89014801510223 0.46002373644701 0.38976436290819 15.999 > 21 23 O 0.39014801510223 0.46002373644701 0.88976436290819 15.999 > 21 24 O 0.89014801510223 0.46002373644701 0.88976436290819 15.999 > 21 25 O 0.10985198489777 0.96002373644701 0.11023563709181 15.999 > 25 26 O 0.60985198489777 0.96002373644701 0.11023563709181 15.999 > 25 27 O 0.10985198489777 0.96002373644701 0.61023563709181 15.999 > 25 28 O 0.60985198489777 0.96002373644701 0.61023563709181 15.999 > 25 29 O 0.14014801510223 0.03997626355299 0.36023563709181 15.999 > 29 30 O 0.64014801510223 0.03997626355299 0.36023563709181 15.999 > 29 31 O 0.14014801510223 0.03997626355299 0.86023563709181 15.999 > 29 32 O 0.64014801510223 0.03997626355299 0.86023563709181 15.999 > 29 33 O 0.24388117178476 0.25000000000000 0.03702329566706 15.999 > 33 34 O 0.74388117178476 0.25000000000000 0.03702329566706 15.999 > 33 35 O 0.24388117178476 0.25000000000000 0.53702329566706 15.999 > 33 36 O 0.74388117178476 0.25000000000000 0.53702329566706 15.999 > 33 37 O 0.00611882821524 0.75000000000000 0.28702329566706 15.999 > 37 38 O 0.50611882821524 0.75000000000000 0.28702329566706 15.999 > 37 39 O 0.00611882821524 0.75000000000000 0.78702329566706 15.999 > 37 40 O 0.50611882821524 0.75000000000000 0.78702329566706 15.999 > 37 41 O 0.49388117178476 0.25000000000000 0.21297670433294 15.999 > 41 42 O 0.99388117178476 0.25000000000000 0.21297670433294 15.999 > 41 43 O 0.49388117178476 0.25000000000000 0.71297670433294 15.999 > 41 44 O 0.99388117178476 0.25000000000000 0.71297670433294 15.999 > 41 45 O 0.25611882821524 0.75000000000000 0.46297670433294 15.999 > 45 46 O 0.75611882821524 0.75000000000000 0.46297670433294 15.999 > 45 47 O 0.25611882821524 0.75000000000000 0.96297670433294 15.999 > 45 48 O 0.75611882821524 0.75000000000000 0.96297670433294 15.999 > 45 49 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 49 50 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 49 51 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 49 52 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 49 53 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 53 54 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 53 55 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 53 56 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 53 57 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 57 58 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 57 59 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 57 60 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 57 61 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 61 62 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 61 63 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 61 64 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 61 65 La 0.23570059714841 0.75000000000000 0.24655407590153 138.905 > 65 66 La 0.73570059714841 0.75000000000000 0.24655407590153 138.905 > 65 67 La 0.23570059714841 0.75000000000000 0.74655407590153 138.905 > 65 68 La 0.73570059714841 0.75000000000000 0.74655407590153 138.905 > 65 69 La 0.01429940285159 0.25000000000000 0.49655407590153 138.905 > 69 70 La 0.51429940285159 0.25000000000000 0.49655407590153 138.905 > 69 71 La 0.01429940285159 0.25000000000000 0.99655407590153 138.905 > 69 72 La 0.51429940285159 0.25000000000000 0.99655407590153 138.905 > 69 73 La 0.48570059714841 0.75000000000000 0.00344592409847 138.905 > 73 74 La 0.98570059714841 0.75000000000000 0.00344592409847 138.905 > 73 75 La 0.48570059714841 0.75000000000000 0.50344592409847 138.905 > 73 76 La 0.98570059714841 0.75000000000000 0.50344592409847 138.905 > 73 77 La 0.26429940285159 0.25000000000000 0.25344592409847 138.905 > 77 78 La 0.76429940285159 0.25000000000000 0.25344592409847 138.905 > 77 79 La 0.26429940285159 0.25000000000000 0.75344592409847 138.905 > 77 80 La 0.76429940285159 0.25000000000000 0.75344592409847 138.905 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9375857 0.0000000 0.0000000 0.0000000 4.9026330 0.0000000 0.0000000 0.0000000 5.0591941 -------------------------- Born effective charges -------------------------- 1 O -2.6777486 0.0629831 -0.1567711 0.1079684 -2.4014560 0.0237548 -0.1458694 0.0378223 -2.6584111 2 O -2.6777486 0.0629831 0.1567711 0.1079684 -2.4014560 -0.0237548 0.1458694 -0.0378223 -2.6584111 3 O -2.6777486 -0.0629831 0.1567711 -0.1079684 -2.4014560 0.0237548 0.1458694 0.0378223 -2.6584111 4 O -2.6777486 -0.0629831 -0.1567711 -0.1079684 -2.4014560 -0.0237548 -0.1458694 -0.0378223 -2.6584111 5 O -2.6777486 0.0629831 -0.1567711 0.1079684 -2.4014560 0.0237548 -0.1458694 0.0378223 -2.6584111 6 O -2.6777486 0.0629831 0.1567711 0.1079684 -2.4014560 -0.0237548 0.1458694 -0.0378223 -2.6584111 7 O -2.6777486 -0.0629831 0.1567711 -0.1079684 -2.4014560 0.0237548 0.1458694 0.0378223 -2.6584111 8 O -2.6777486 -0.0629831 -0.1567711 -0.1079684 -2.4014560 -0.0237548 -0.1458694 -0.0378223 -2.6584111 9 O -2.2967103 0.0000000 -0.1502512 0.0000000 -2.7891600 0.0000000 -0.1937450 0.0000000 -2.6751733 10 O -2.2967103 0.0000000 0.1502512 0.0000000 -2.7891600 0.0000000 0.1937450 0.0000000 -2.6751733 11 O -2.2967103 0.0000000 0.1502512 0.0000000 -2.7891600 0.0000000 0.1937450 0.0000000 -2.6751733 12 O -2.2967103 0.0000000 -0.1502512 0.0000000 -2.7891600 0.0000000 -0.1937450 0.0000000 -2.6751733 13 Ga 3.2303019 0.0898906 -0.0747944 0.0063505 3.2880347 0.1205966 -0.0398413 -0.0001869 3.2821247 14 Ga 3.2303019 0.0898906 0.0747944 0.0063505 3.2880347 -0.1205966 0.0398413 0.0001869 3.2821247 15 Ga 3.2303019 -0.0898906 0.0747944 -0.0063505 3.2880347 0.1205966 0.0398413 -0.0001869 3.2821247 16 Ga 3.2303019 -0.0898906 -0.0747944 -0.0063505 3.2880347 -0.1205966 -0.0398413 0.0001869 3.2821247 17 La 4.4219057 0.0000000 -0.1346349 0.0000000 4.3040373 0.0000000 -0.2728553 0.0000000 4.7098709 18 La 4.4219057 0.0000000 0.1346349 0.0000000 4.3040373 0.0000000 0.2728553 0.0000000 4.7098709 19 La 4.4219057 0.0000000 0.1346349 0.0000000 4.3040373 0.0000000 0.2728553 0.0000000 4.7098709 20 La 4.4219057 0.0000000 -0.1346349 0.0000000 4.3040373 0.0000000 -0.2728553 0.0000000 4.7098709 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) 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: 0.67, Number of G-points: 319, Lambda: 0.16 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 2.287 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.069 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 7.026 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 8.835 ( 0.000 0.000 0.000) 0.000 9.191 ( 0.000 0.000 0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.670 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 0.000 0.000) 0.000 10.064 ( 0.000 0.000 0.000) 0.000 10.259 ( 0.000 0.000 0.000) 0.000 11.615 ( 0.000 0.000 0.000) 0.000 11.629 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 11.858 ( 0.000 0.000 0.000) 0.000 11.893 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 12.835 ( 0.000 0.000 0.000) 0.000 14.629 ( 0.000 0.000 0.000) 0.000 14.955 ( 0.000 0.000 0.000) 0.000 15.946 ( 0.000 0.000 0.000) 0.000 16.183 ( 0.000 0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 16.712 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 0.000 0.000) 0.000 17.418 ( 0.000 0.000 0.000) 0.000 17.964 ( 0.000 0.000 0.000) 0.000 19.648 ( 0.000 0.000 0.000) 0.000 20.376 ( 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 30.510 0.000 0.000) 30.510 0.730 ( 35.574 0.000 0.000) 35.574 1.123 ( 50.247 0.000 0.000) 50.247 2.387 ( 10.448 0.000 0.000) 10.448 2.537 ( 2.371 0.000 0.000) 2.371 3.134 ( 1.325 0.000 0.000) 1.325 3.282 ( -2.140 0.000 0.000) 2.140 3.581 ( -4.114 0.000 0.000) 4.114 3.929 ( -4.936 0.000 0.000) 4.936 4.083 ( -6.850 0.000 0.000) 6.850 4.086 ( 1.484 0.000 0.000) 1.484 4.119 ( -8.086 0.000 0.000) 8.086 4.824 ( -2.127 0.000 0.000) 2.127 4.859 ( 12.592 0.000 0.000) 12.592 4.866 ( 5.917 0.000 0.000) 5.917 4.925 ( 12.181 0.000 0.000) 12.181 5.070 ( 9.224 0.000 0.000) 9.224 5.351 ( 20.146 0.000 0.000) 20.146 5.371 ( -5.457 0.000 0.000) 5.457 5.544 ( -0.826 0.000 0.000) 0.826 5.548 ( 5.324 0.000 0.000) 5.324 6.843 ( -6.242 0.000 0.000) 6.242 7.000 ( -2.874 0.000 0.000) 2.874 7.547 ( -2.364 0.000 0.000) 2.364 7.598 ( 4.563 0.000 0.000) 4.563 7.685 ( 2.666 0.000 0.000) 2.666 7.740 ( 9.294 0.000 0.000) 9.294 7.814 ( 10.420 0.000 0.000) 10.420 8.362 ( -3.283 0.000 0.000) 3.283 8.412 ( -6.036 0.000 0.000) 6.036 8.515 ( -0.444 0.000 0.000) 0.444 8.607 ( -6.565 0.000 0.000) 6.565 8.888 ( 4.913 0.000 0.000) 4.913 9.150 ( -4.164 0.000 0.000) 4.164 9.362 ( 11.142 0.000 0.000) 11.142 9.645 ( -13.539 0.000 0.000) 13.539 9.670 ( -0.177 0.000 0.000) 0.177 9.730 ( -1.133 0.000 0.000) 1.133 9.986 ( -5.648 0.000 0.000) 5.648 10.473 ( 14.846 0.000 0.000) 14.846 11.390 ( -17.948 0.000 0.000) 17.948 11.730 ( 9.555 0.000 0.000) 9.555 11.843 ( 22.232 0.000 0.000) 22.232 11.845 ( -2.178 0.000 0.000) 2.178 12.324 ( 23.675 0.000 0.000) 23.675 12.345 ( -5.274 0.000 0.000) 5.274 12.415 ( 8.478 0.000 0.000) 8.478 12.855 ( 5.451 0.000 0.000) 5.451 13.895 ( 1.721 0.000 0.000) 1.721 14.640 ( 1.102 0.000 0.000) 1.102 15.247 ( -3.908 0.000 0.000) 3.908 15.896 ( -25.374 0.000 0.000) 25.374 15.977 ( 2.891 0.000 0.000) 2.891 16.678 ( -2.486 0.000 0.000) 2.486 16.787 ( -8.809 0.000 0.000) 8.809 17.335 ( -8.364 0.000 0.000) 8.364 18.225 ( 21.962 0.000 0.000) 21.962 18.805 ( 1.516 0.000 0.000) 1.516 19.616 ( -3.138 0.000 0.000) 3.138 20.351 ( -2.544 0.000 0.000) 2.544 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 28.951 0.000 0.000) 28.951 1.418 ( 31.934 0.000 0.000) 31.934 1.876 ( 22.503 0.000 0.000) 22.503 2.596 ( 3.151 0.000 0.000) 3.151 2.775 ( 27.482 0.000 0.000) 27.482 3.147 ( 0.588 0.000 0.000) 0.588 3.291 ( 2.513 0.000 0.000) 2.513 3.464 ( -6.932 0.000 0.000) 6.932 3.768 ( -9.843 0.000 0.000) 9.843 3.884 ( -11.581 0.000 0.000) 11.581 3.918 ( -11.099 0.000 0.000) 11.099 4.106 ( -0.175 0.000 0.000) 0.175 4.758 ( -3.527 0.000 0.000) 3.527 4.974 ( 2.998 0.000 0.000) 2.998 5.207 ( 19.730 0.000 0.000) 19.730 5.235 ( 16.736 0.000 0.000) 16.736 5.253 ( -4.788 0.000 0.000) 4.788 5.342 ( 17.456 0.000 0.000) 17.456 5.554 ( 3.023 0.000 0.000) 3.023 5.698 ( 9.223 0.000 0.000) 9.223 5.895 ( 31.340 0.000 0.000) 31.340 6.726 ( -4.968 0.000 0.000) 4.968 6.891 ( -8.551 0.000 0.000) 8.551 7.485 ( -3.615 0.000 0.000) 3.615 7.685 ( 2.811 0.000 0.000) 2.811 7.745 ( 2.799 0.000 0.000) 2.799 7.937 ( 7.881 0.000 0.000) 7.881 8.023 ( 8.142 0.000 0.000) 8.142 8.242 ( -10.576 0.000 0.000) 10.576 8.275 ( -4.271 0.000 0.000) 4.271 8.489 ( -2.166 0.000 0.000) 2.166 8.490 ( -2.157 0.000 0.000) 2.157 9.023 ( -8.278 0.000 0.000) 8.278 9.032 ( 9.363 0.000 0.000) 9.363 9.386 ( -11.284 0.000 0.000) 11.284 9.620 ( 5.137 0.000 0.000) 5.137 9.655 ( -1.392 0.000 0.000) 1.392 9.778 ( 14.650 0.000 0.000) 14.650 9.852 ( -7.203 0.000 0.000) 7.203 10.765 ( 13.067 0.000 0.000) 13.067 11.072 ( -13.674 0.000 0.000) 13.674 11.756 ( -5.877 0.000 0.000) 5.877 11.918 ( 1.974 0.000 0.000) 1.974 12.280 ( 5.629 0.000 0.000) 5.629 12.480 ( 39.617 0.000 0.000) 39.617 12.496 ( -4.206 0.000 0.000) 4.206 12.676 ( 16.530 0.000 0.000) 16.530 13.322 ( 37.919 0.000 0.000) 37.919 13.922 ( 0.263 0.000 0.000) 0.263 14.676 ( 2.466 0.000 0.000) 2.466 15.144 ( -5.785 0.000 0.000) 5.785 15.281 ( -33.597 0.000 0.000) 33.597 16.052 ( 3.924 0.000 0.000) 3.924 16.518 ( -17.629 0.000 0.000) 17.629 16.621 ( -3.242 0.000 0.000) 3.242 17.074 ( -17.567 0.000 0.000) 17.567 18.720 ( 25.199 0.000 0.000) 25.199 18.854 ( 3.375 0.000 0.000) 3.375 19.524 ( -5.782 0.000 0.000) 5.782 20.271 ( -5.398 0.000 0.000) 5.398 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 25.852 0.000 0.000) 25.852 1.995 ( 24.539 0.000 0.000) 24.539 2.179 ( 11.591 0.000 0.000) 11.591 2.642 ( 0.700 0.000 0.000) 0.700 3.137 ( -2.845 0.000 0.000) 2.845 3.182 ( 0.945 0.000 0.000) 0.945 3.296 ( -2.759 0.000 0.000) 2.759 3.437 ( 9.397 0.000 0.000) 9.397 3.586 ( -7.041 0.000 0.000) 7.041 3.701 ( -9.721 0.000 0.000) 9.721 3.714 ( -2.075 0.000 0.000) 2.075 4.062 ( -4.310 0.000 0.000) 4.310 4.702 ( -1.489 0.000 0.000) 1.489 4.950 ( -4.916 0.000 0.000) 4.916 5.275 ( 9.694 0.000 0.000) 9.694 5.564 ( 15.438 0.000 0.000) 15.438 5.589 ( 16.695 0.000 0.000) 16.695 5.684 ( 8.830 0.000 0.000) 8.830 5.739 ( 20.648 0.000 0.000) 20.648 5.882 ( 7.621 0.000 0.000) 7.621 6.531 ( 30.046 0.000 0.000) 30.046 6.625 ( -5.984 0.000 0.000) 5.984 6.635 ( -17.017 0.000 0.000) 17.017 7.407 ( -3.934 0.000 0.000) 3.934 7.671 ( -4.146 0.000 0.000) 4.146 7.784 ( 0.961 0.000 0.000) 0.961 7.940 ( -5.870 0.000 0.000) 5.870 7.994 ( -13.716 0.000 0.000) 13.716 8.162 ( 6.338 0.000 0.000) 6.338 8.250 ( 2.738 0.000 0.000) 2.738 8.429 ( -3.611 0.000 0.000) 3.611 8.597 ( 10.665 0.000 0.000) 10.665 8.824 ( -11.156 0.000 0.000) 11.156 9.192 ( -8.379 0.000 0.000) 8.379 9.252 ( 11.650 0.000 0.000) 11.650 9.606 ( -2.042 0.000 0.000) 2.042 9.617 ( -2.106 0.000 0.000) 2.106 9.713 ( -6.151 0.000 0.000) 6.151 10.253 ( 27.060 0.000 0.000) 27.060 10.846 ( -8.128 0.000 0.000) 8.128 10.942 ( 2.521 0.000 0.000) 2.521 11.682 ( 1.025 0.000 0.000) 1.025 11.719 ( -16.920 0.000 0.000) 16.920 12.332 ( -10.715 0.000 0.000) 10.715 12.649 ( 25.711 0.000 0.000) 25.711 13.043 ( 18.813 0.000 0.000) 18.813 13.385 ( 48.303 0.000 0.000) 48.303 13.866 ( -4.497 0.000 0.000) 4.497 14.195 ( 44.376 0.000 0.000) 44.376 14.584 ( -34.725 0.000 0.000) 34.725 14.739 ( 3.669 0.000 0.000) 3.669 15.032 ( -4.902 0.000 0.000) 4.902 15.951 ( -24.156 0.000 0.000) 24.156 16.243 ( 0.420 0.000 0.000) 0.420 16.545 ( -4.337 0.000 0.000) 4.337 16.619 ( -27.592 0.000 0.000) 27.592 18.944 ( 5.477 0.000 0.000) 5.477 19.203 ( 22.160 0.000 0.000) 22.160 19.388 ( -7.504 0.000 0.000) 7.504 20.129 ( -8.795 0.000 0.000) 8.795 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 17.914 0.000 0.000) 17.914 2.378 ( 5.536 0.000 0.000) 5.536 2.393 ( 14.771 0.000 0.000) 14.771 2.597 ( -5.736 0.000 0.000) 5.736 2.960 ( -7.554 0.000 0.000) 7.554 3.017 ( -11.349 0.000 0.000) 11.349 3.376 ( 7.960 0.000 0.000) 7.960 3.506 ( -0.845 0.000 0.000) 0.845 3.515 ( -3.606 0.000 0.000) 3.606 3.548 ( -4.975 0.000 0.000) 4.975 3.789 ( 7.042 0.000 0.000) 7.042 3.941 ( -7.251 0.000 0.000) 7.251 4.716 ( 3.075 0.000 0.000) 3.075 4.821 ( -6.710 0.000 0.000) 6.710 5.657 ( 25.214 0.000 0.000) 25.214 5.830 ( 9.825 0.000 0.000) 9.825 5.834 ( 6.563 0.000 0.000) 6.563 5.843 ( 5.065 0.000 0.000) 5.065 5.958 ( -0.520 0.000 0.000) 0.520 6.128 ( 12.082 0.000 0.000) 12.082 6.217 ( -18.647 0.000 0.000) 18.647 6.450 ( -11.854 0.000 0.000) 11.854 7.059 ( 20.873 0.000 0.000) 20.873 7.318 ( -5.948 0.000 0.000) 5.948 7.586 ( -1.483 0.000 0.000) 1.483 7.710 ( -12.943 0.000 0.000) 12.943 7.793 ( 0.424 0.000 0.000) 0.424 7.829 ( -3.751 0.000 0.000) 3.751 8.270 ( 4.520 0.000 0.000) 4.520 8.353 ( -3.879 0.000 0.000) 3.879 8.376 ( 8.985 0.000 0.000) 8.985 8.589 ( -11.599 0.000 0.000) 11.599 8.825 ( 10.889 0.000 0.000) 10.889 9.023 ( -8.800 0.000 0.000) 8.800 9.466 ( 8.755 0.000 0.000) 8.755 9.576 ( -0.727 0.000 0.000) 0.727 9.581 ( -1.196 0.000 0.000) 1.196 9.602 ( -5.357 0.000 0.000) 5.357 10.771 ( 1.113 0.000 0.000) 1.113 10.804 ( 26.741 0.000 0.000) 26.741 10.870 ( -6.940 0.000 0.000) 6.940 11.310 ( -22.987 0.000 0.000) 22.987 11.827 ( 11.680 0.000 0.000) 11.680 12.087 ( -13.099 0.000 0.000) 13.099 13.229 ( 31.022 0.000 0.000) 31.022 13.407 ( 16.675 0.000 0.000) 16.675 13.697 ( -11.704 0.000 0.000) 11.704 13.883 ( -32.977 0.000 0.000) 32.977 14.378 ( 47.104 0.000 0.000) 47.104 14.819 ( 4.080 0.000 0.000) 4.080 14.881 ( 1.734 0.000 0.000) 1.734 15.161 ( 37.809 0.000 0.000) 37.809 15.272 ( -40.081 0.000 0.000) 40.081 15.963 ( -37.053 0.000 0.000) 37.053 16.334 ( 5.689 0.000 0.000) 5.689 16.447 ( -5.314 0.000 0.000) 5.314 19.073 ( 7.238 0.000 0.000) 7.238 19.229 ( -8.012 0.000 0.000) 8.012 19.605 ( 17.526 0.000 0.000) 17.526 19.911 ( -12.870 0.000 0.000) 12.870 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 32.851 0.000) 32.851 0.775 ( 0.000 35.153 0.000) 35.153 1.327 ( 0.000 59.951 0.000) 59.951 2.252 ( 0.000 -3.292 0.000) 3.292 2.576 ( 0.000 4.284 0.000) 4.284 3.053 ( 0.000 -3.998 0.000) 3.998 3.380 ( 0.000 5.433 0.000) 5.433 3.570 ( 0.000 0.811 0.000) 0.811 3.967 ( 0.000 0.345 0.000) 0.345 3.992 ( 0.000 -5.805 0.000) 5.805 4.116 ( 0.000 -3.702 0.000) 3.702 4.120 ( 0.000 -8.207 0.000) 8.207 4.674 ( 0.000 2.053 0.000) 2.053 4.726 ( 0.000 -4.441 0.000) 4.441 4.833 ( 0.000 3.906 0.000) 3.906 4.971 ( 0.000 15.249 0.000) 15.249 4.975 ( 0.000 -0.058 0.000) 0.058 5.086 ( 0.000 -4.274 0.000) 4.274 5.385 ( 0.000 -3.983 0.000) 3.983 5.625 ( 0.000 5.285 0.000) 5.285 5.733 ( 0.000 16.157 0.000) 16.157 6.727 ( 0.000 -14.685 0.000) 14.685 6.925 ( 0.000 -9.646 0.000) 9.646 7.319 ( 0.000 1.690 0.000) 1.690 7.601 ( 0.000 -5.745 0.000) 5.745 7.607 ( 0.000 3.084 0.000) 3.084 7.619 ( 0.000 -1.332 0.000) 1.332 8.176 ( 0.000 -0.471 0.000) 0.471 8.338 ( 0.000 -14.935 0.000) 14.935 8.390 ( 0.000 2.227 0.000) 2.227 8.477 ( 0.000 0.280 0.000) 0.280 8.506 ( 0.000 -2.393 0.000) 2.393 8.679 ( 0.000 -1.233 0.000) 1.233 8.900 ( 0.000 6.135 0.000) 6.135 9.011 ( 0.000 -13.002 0.000) 13.002 9.711 ( 0.000 3.796 0.000) 3.796 9.727 ( 0.000 -2.316 0.000) 2.316 9.957 ( 0.000 8.189 0.000) 8.189 10.029 ( 0.000 -2.524 0.000) 2.524 10.234 ( 0.000 -2.189 0.000) 2.189 11.619 ( 0.000 0.651 0.000) 0.651 11.812 ( 0.000 -1.547 0.000) 1.547 11.871 ( 0.000 1.154 0.000) 1.154 11.889 ( 0.000 19.532 0.000) 19.532 11.982 ( 0.000 7.790 0.000) 7.790 12.218 ( 0.000 0.384 0.000) 0.384 12.704 ( 0.000 19.568 0.000) 19.568 12.790 ( 0.000 -4.200 0.000) 4.200 14.507 ( 0.000 -11.204 0.000) 11.204 14.733 ( 0.000 0.866 0.000) 0.866 14.930 ( 0.000 -2.193 0.000) 2.193 15.628 ( 0.000 -28.391 0.000) 28.391 16.264 ( 0.000 0.975 0.000) 0.975 16.396 ( 0.000 -0.891 0.000) 0.891 16.894 ( 0.000 2.252 0.000) 2.252 17.375 ( 0.000 -3.879 0.000) 3.879 18.027 ( 0.000 5.679 0.000) 5.679 18.734 ( 0.000 -4.478 0.000) 4.478 19.781 ( 0.000 10.907 0.000) 10.907 20.374 ( 0.000 -0.384 0.000) 0.384 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 18.947 22.111 0.000) 29.118 0.970 ( 17.210 25.929 0.000) 31.120 1.730 ( 29.550 40.723 0.000) 50.314 2.334 ( 11.389 -2.753 0.000) 11.717 2.580 ( 0.290 2.514 0.000) 2.531 3.086 ( 2.981 -3.546 0.000) 4.633 3.329 ( -3.948 4.930 0.000) 6.316 3.559 ( -3.473 -1.500 0.000) 3.783 3.902 ( -4.523 -3.068 0.000) 5.465 3.975 ( -10.763 -8.749 0.000) 13.870 4.082 ( 2.333 -0.414 0.000) 2.369 4.093 ( -4.758 -3.525 0.000) 5.921 4.692 ( 9.501 -12.089 0.000) 15.376 4.906 ( 6.386 4.086 0.000) 7.581 4.953 ( 5.906 9.410 0.000) 11.110 5.059 ( 8.662 2.493 0.000) 9.014 5.111 ( 12.152 11.913 0.000) 17.017 5.216 ( 14.154 -4.247 0.000) 14.778 5.346 ( -0.511 -2.475 0.000) 2.527 5.556 ( 2.611 -0.108 0.000) 2.613 5.715 ( -1.444 15.685 0.000) 15.752 6.668 ( -5.296 -15.155 0.000) 16.054 6.912 ( -1.627 -8.382 0.000) 8.538 7.412 ( 6.988 -2.586 0.000) 7.451 7.533 ( -3.252 -2.766 0.000) 4.269 7.673 ( 2.985 -0.376 0.000) 3.009 7.738 ( 9.731 -4.742 0.000) 10.825 8.107 ( 2.633 13.553 0.000) 13.806 8.297 ( -4.310 -12.220 0.000) 12.958 8.390 ( -1.706 2.324 0.000) 2.883 8.467 ( -0.852 -1.550 0.000) 1.769 8.604 ( -5.319 -0.373 0.000) 5.332 8.899 ( 8.024 -0.681 0.000) 8.053 8.947 ( -6.297 -13.936 0.000) 15.293 9.081 ( 26.012 -10.694 0.000) 28.124 9.711 ( -0.166 4.509 0.000) 4.512 9.718 ( -0.743 -2.065 0.000) 2.195 9.781 ( -11.830 7.001 0.000) 13.747 9.972 ( -3.838 -0.253 0.000) 3.846 10.460 ( 15.238 -1.377 0.000) 15.301 11.492 ( -16.842 6.897 0.000) 18.199 11.826 ( -3.477 1.580 0.000) 3.820 11.845 ( 20.407 0.198 0.000) 20.408 12.006 ( 10.088 16.139 0.000) 19.033 12.188 ( -3.641 0.141 0.000) 3.644 12.357 ( 21.811 1.847 0.000) 21.889 12.741 ( 4.609 20.261 0.000) 20.779 12.815 ( 5.532 -3.806 0.000) 6.714 14.279 ( -17.522 19.713 0.000) 26.375 14.521 ( 1.378 -10.946 0.000) 11.033 15.122 ( 2.126 -9.196 0.000) 9.438 15.663 ( 3.297 -28.107 0.000) 28.300 15.942 ( -25.203 3.623 0.000) 25.462 16.417 ( -1.277 -12.643 0.000) 12.707 16.805 ( -8.925 2.263 0.000) 9.208 17.292 ( -8.372 -3.889 0.000) 9.231 18.275 ( 21.049 4.578 0.000) 21.541 18.831 ( 5.915 -1.122 0.000) 6.021 19.750 ( -3.019 11.001 0.000) 11.407 20.348 ( -2.574 -0.413 0.000) 2.607 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 22.368 13.736 0.000) 26.249 1.400 ( 24.089 4.817 0.000) 24.566 2.153 ( 12.601 15.373 0.000) 19.877 2.587 ( 0.595 -1.705 0.000) 1.806 2.795 ( 28.536 3.578 0.000) 28.760 3.147 ( 1.929 -1.535 0.000) 2.465 3.270 ( -1.112 1.027 0.000) 1.514 3.420 ( -9.213 -4.258 0.000) 10.149 3.725 ( -12.541 -9.847 0.000) 15.945 3.780 ( -7.418 1.220 0.000) 7.518 3.948 ( -8.925 -1.509 0.000) 9.051 4.073 ( -1.927 -2.572 0.000) 3.214 4.837 ( -2.293 -0.432 0.000) 2.334 5.029 ( 10.408 0.457 0.000) 10.418 5.042 ( 5.514 5.873 0.000) 8.056 5.295 ( 13.941 1.643 0.000) 14.038 5.351 ( 8.843 3.599 0.000) 9.547 5.417 ( 16.996 8.780 0.000) 19.130 5.647 ( 13.561 -3.801 0.000) 14.083 5.701 ( 1.098 13.937 0.000) 13.980 5.853 ( 28.536 -4.485 0.000) 28.887 6.566 ( -4.045 -14.240 0.000) 14.803 6.842 ( -5.821 -4.413 0.000) 7.305 7.474 ( -2.612 -1.493 0.000) 3.009 7.554 ( 6.524 -4.143 0.000) 7.729 7.719 ( 1.465 -2.365 0.000) 2.781 7.942 ( 8.767 -6.646 0.000) 11.002 8.105 ( -5.075 7.048 0.000) 8.685 8.158 ( -9.371 -8.032 0.000) 12.342 8.335 ( -5.761 2.363 0.000) 6.226 8.439 ( -2.339 -3.898 0.000) 4.546 8.579 ( 6.464 10.440 0.000) 12.279 8.774 ( -10.042 -15.724 0.000) 18.657 9.058 ( 10.313 2.248 0.000) 10.555 9.556 ( -10.051 8.419 0.000) 13.111 9.561 ( 14.343 -5.500 0.000) 15.361 9.706 ( -0.745 4.751 0.000) 4.809 9.756 ( 11.403 -2.490 0.000) 11.671 9.880 ( -4.710 3.674 0.000) 5.973 10.766 ( 14.302 -0.430 0.000) 14.309 11.180 ( -13.893 9.813 0.000) 17.009 11.714 ( -7.278 -2.000 0.000) 7.548 12.040 ( -11.250 -1.712 0.000) 11.380 12.296 ( 18.298 16.103 0.000) 24.375 12.314 ( 12.103 -9.133 0.000) 15.163 12.652 ( 22.018 7.883 0.000) 23.386 12.922 ( 13.152 18.647 0.000) 22.819 13.274 ( 37.107 -4.278 0.000) 37.353 14.066 ( -6.592 11.362 0.000) 13.136 14.565 ( 3.030 -10.140 0.000) 10.583 15.076 ( -5.316 -6.328 0.000) 8.265 15.357 ( -30.615 6.521 0.000) 31.302 15.755 ( 5.597 -27.141 0.000) 27.712 16.365 ( -3.535 -18.578 0.000) 18.911 16.527 ( -18.700 2.196 0.000) 18.828 17.031 ( -17.582 -3.918 0.000) 18.013 18.752 ( 24.349 2.971 0.000) 24.529 18.941 ( 5.397 5.022 0.000) 7.372 19.661 ( -5.617 11.216 0.000) 12.544 20.268 ( -5.414 -0.462 0.000) 5.434 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 20.935 4.405 0.000) 21.394 1.853 ( 19.790 -4.573 0.000) 20.312 2.386 ( 11.792 10.451 0.000) 15.757 2.609 ( 1.449 -4.109 0.000) 4.357 3.101 ( -3.745 -3.574 0.000) 5.177 3.144 ( -1.935 -6.697 0.000) 6.971 3.224 ( -5.814 0.058 0.000) 5.814 3.303 ( 0.750 -12.443 0.000) 12.465 3.563 ( -1.869 -7.649 0.000) 7.874 3.622 ( -7.508 3.115 0.000) 8.128 3.768 ( -7.353 -0.396 0.000) 7.364 4.018 ( -3.947 -2.429 0.000) 4.634 4.828 ( 3.518 10.985 0.000) 11.534 5.080 ( -1.771 10.346 0.000) 10.497 5.268 ( 15.004 1.045 0.000) 15.040 5.586 ( 13.812 0.656 0.000) 13.828 5.617 ( 14.801 2.010 0.000) 14.937 5.744 ( 12.062 3.776 0.000) 12.639 5.809 ( 11.888 8.529 0.000) 14.631 5.880 ( 9.217 0.117 0.000) 9.218 6.426 ( 13.929 -9.384 0.000) 16.795 6.539 ( 12.015 -7.756 0.000) 14.301 6.655 ( -13.171 2.321 0.000) 13.373 7.421 ( -2.904 1.132 0.000) 3.117 7.651 ( 2.113 -1.157 0.000) 2.409 7.735 ( 0.303 -5.066 0.000) 5.075 7.931 ( -12.430 -5.427 0.000) 13.563 7.945 ( -6.842 0.885 0.000) 6.899 8.034 ( -2.242 -4.696 0.000) 5.204 8.263 ( 1.472 -4.930 0.000) 5.145 8.355 ( -6.234 -6.684 0.000) 9.140 8.575 ( -8.952 -14.855 0.000) 17.344 8.774 ( 10.810 14.277 0.000) 17.907 9.312 ( 13.468 5.147 0.000) 14.418 9.367 ( -8.825 8.315 0.000) 12.125 9.632 ( 0.958 1.245 0.000) 1.571 9.671 ( -3.005 2.771 0.000) 4.088 9.808 ( -2.051 11.269 0.000) 11.454 10.235 ( 28.023 -2.521 0.000) 28.136 10.939 ( -9.430 9.229 0.000) 13.195 10.980 ( 4.374 3.264 0.000) 5.457 11.599 ( -1.100 -6.846 0.000) 6.934 11.740 ( -18.031 -0.472 0.000) 18.037 12.243 ( -10.160 -8.025 0.000) 12.947 12.727 ( 23.743 11.112 0.000) 26.215 13.242 ( 17.700 15.827 0.000) 23.744 13.435 ( 45.556 4.584 0.000) 45.786 13.906 ( -4.460 3.907 0.000) 5.930 14.131 ( 38.009 -4.574 0.000) 38.284 14.642 ( 4.440 -8.800 0.000) 9.857 14.713 ( -26.834 9.061 0.000) 28.322 14.995 ( -5.761 -2.800 0.000) 6.406 15.871 ( 3.565 -21.368 0.000) 21.664 16.052 ( -26.319 -2.015 0.000) 26.396 16.278 ( -5.031 -21.446 0.000) 22.028 16.575 ( -27.598 -3.959 0.000) 27.881 19.059 ( 6.631 8.437 0.000) 10.731 19.222 ( 21.457 1.623 0.000) 21.519 19.528 ( -7.422 11.370 0.000) 13.578 20.126 ( -8.724 -0.416 0.000) 8.734 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 10.417 -8.229 0.000) 13.275 2.176 ( 10.833 -4.889 0.000) 11.885 2.592 ( 6.103 7.973 0.000) 10.041 2.625 ( -0.112 1.260 0.000) 1.265 2.968 ( -3.549 0.247 0.000) 3.557 3.035 ( -7.509 -0.985 0.000) 7.573 3.156 ( 1.230 -12.925 0.000) 12.983 3.246 ( -5.998 -21.171 0.000) 22.004 3.512 ( -2.595 0.245 0.000) 2.607 3.525 ( -3.113 -3.255 0.000) 4.504 3.754 ( 5.745 -2.917 0.000) 6.443 3.900 ( -7.348 -2.904 0.000) 7.901 4.917 ( 4.302 15.180 0.000) 15.778 5.006 ( -4.535 14.096 0.000) 14.808 5.664 ( 19.342 0.432 0.000) 19.346 5.795 ( 4.661 -2.277 0.000) 5.187 5.886 ( 12.853 4.978 0.000) 13.783 5.906 ( 6.160 4.482 0.000) 7.618 5.985 ( 1.048 2.442 0.000) 2.657 6.102 ( 12.063 -1.947 0.000) 12.220 6.310 ( -18.915 8.767 0.000) 20.848 6.360 ( -8.300 -7.152 0.000) 10.957 7.020 ( 21.962 -4.331 0.000) 22.385 7.330 ( -7.978 0.343 0.000) 7.985 7.626 ( -2.554 3.442 0.000) 4.286 7.668 ( -7.849 -3.684 0.000) 8.670 7.777 ( 0.723 -1.450 0.000) 1.620 7.835 ( -4.305 0.408 0.000) 4.325 8.038 ( 4.864 -12.649 0.000) 13.552 8.193 ( -9.012 -12.654 0.000) 15.535 8.333 ( 4.147 -7.132 0.000) 8.250 8.428 ( -5.652 -9.382 0.000) 10.952 8.990 ( 10.364 10.815 0.000) 14.979 9.188 ( -9.192 8.686 0.000) 12.647 9.518 ( 5.735 2.491 0.000) 6.253 9.599 ( -3.603 0.853 0.000) 3.702 9.697 ( 5.445 11.854 0.000) 13.045 9.778 ( -1.973 16.357 0.000) 16.475 10.800 ( 27.193 -1.356 0.000) 27.227 10.833 ( -0.231 6.378 0.000) 6.382 10.920 ( -7.054 5.015 0.000) 8.655 11.316 ( -23.452 -1.123 0.000) 23.479 11.732 ( 11.956 -8.226 0.000) 14.513 11.999 ( -13.339 -7.899 0.000) 15.502 13.224 ( 24.334 4.706 0.000) 24.785 13.620 ( 19.850 14.845 0.000) 24.787 13.648 ( -16.199 0.526 0.000) 16.207 14.068 ( -23.778 11.941 0.000) 26.608 14.421 ( 43.421 3.647 0.000) 43.574 14.735 ( 4.281 -7.219 0.000) 8.393 14.855 ( 0.753 -2.079 0.000) 2.211 15.117 ( 38.510 -4.010 0.000) 38.718 15.330 ( -38.950 4.897 0.000) 39.257 15.918 ( -36.438 -4.449 0.000) 36.709 16.033 ( 6.093 -25.322 0.000) 26.045 16.164 ( -6.187 -23.645 0.000) 24.441 19.205 ( 7.814 10.337 0.000) 12.958 19.369 ( -8.178 11.187 0.000) 13.858 19.612 ( 17.072 0.530 0.000) 17.080 19.912 ( -12.634 -0.129 0.000) 12.635 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 25.896 0.000) 25.896 1.489 ( 0.000 31.031 0.000) 31.031 2.099 ( 0.000 -7.282 0.000) 7.282 2.509 ( 0.000 -13.133 0.000) 13.133 2.561 ( 0.000 49.431 0.000) 49.431 3.121 ( 0.000 12.268 0.000) 12.268 3.532 ( 0.000 7.742 0.000) 7.742 3.577 ( 0.000 -0.990 0.000) 0.990 3.874 ( 0.000 -13.654 0.000) 13.654 3.883 ( 0.000 -3.102 0.000) 3.102 3.982 ( 0.000 -8.275 0.000) 8.275 3.993 ( 0.000 1.434 0.000) 1.434 4.561 ( 0.000 -9.916 0.000) 9.916 4.570 ( 0.000 -12.792 0.000) 12.792 4.912 ( 0.000 2.916 0.000) 2.916 4.971 ( 0.000 -0.363 0.000) 0.363 5.078 ( 0.000 4.664 0.000) 4.664 5.313 ( 0.000 -3.535 0.000) 3.535 5.440 ( 0.000 27.070 0.000) 27.070 5.747 ( 0.000 6.759 0.000) 6.759 6.210 ( 0.000 26.924 0.000) 26.924 6.325 ( 0.000 -20.272 0.000) 20.272 6.600 ( 0.000 -20.756 0.000) 20.756 7.350 ( 0.000 -18.970 0.000) 18.970 7.380 ( 0.000 3.864 0.000) 3.864 7.566 ( 0.000 -3.539 0.000) 3.539 7.695 ( 0.000 4.888 0.000) 4.888 8.010 ( 0.000 -12.649 0.000) 12.649 8.201 ( 0.000 2.929 0.000) 2.929 8.393 ( 0.000 -3.687 0.000) 3.687 8.494 ( 0.000 1.609 0.000) 1.609 8.495 ( 0.000 2.919 0.000) 2.919 8.639 ( 0.000 -2.522 0.000) 2.522 8.741 ( 0.000 -11.003 0.000) 11.003 9.095 ( 0.000 11.661 0.000) 11.661 9.612 ( 0.000 -8.693 0.000) 8.693 9.820 ( 0.000 5.806 0.000) 5.806 9.980 ( 0.000 -1.827 0.000) 1.827 10.089 ( 0.000 3.400 0.000) 3.400 10.176 ( 0.000 -2.841 0.000) 2.841 11.649 ( 0.000 2.149 0.000) 2.149 11.766 ( 0.000 -2.638 0.000) 2.638 11.904 ( 0.000 1.890 0.000) 1.890 12.009 ( 0.000 -2.591 0.000) 2.591 12.197 ( 0.000 11.544 0.000) 11.544 12.657 ( 0.000 -8.167 0.000) 8.167 12.737 ( 0.000 39.855 0.000) 39.855 13.200 ( 0.000 26.221 0.000) 26.221 14.160 ( 0.000 -20.849 0.000) 20.849 14.761 ( 0.000 1.778 0.000) 1.778 14.823 ( 0.000 -44.106 0.000) 44.106 14.871 ( 0.000 -3.040 0.000) 3.040 16.293 ( 0.000 1.649 0.000) 1.649 16.369 ( 0.000 -1.561 0.000) 1.561 16.979 ( 0.000 5.465 0.000) 5.465 17.262 ( 0.000 -6.390 0.000) 6.390 18.192 ( 0.000 9.197 0.000) 9.197 18.597 ( 0.000 -8.049 0.000) 8.049 20.038 ( 0.000 11.622 0.000) 11.622 20.346 ( 0.000 -2.691 0.000) 2.691 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 8.015 23.809 0.000) 25.122 1.564 ( 7.111 27.685 0.000) 28.584 2.136 ( 3.950 -6.216 0.000) 7.365 2.503 ( -0.774 -11.965 0.000) 11.990 2.706 ( 12.920 36.361 0.000) 38.588 3.116 ( -0.320 8.387 0.000) 8.393 3.475 ( -5.224 6.829 0.000) 8.598 3.504 ( -7.644 -4.460 0.000) 8.850 3.747 ( -10.101 -10.734 0.000) 14.739 3.862 ( -0.304 0.904 0.000) 0.953 3.963 ( -3.169 -8.262 0.000) 8.849 4.056 ( 0.689 -2.555 0.000) 2.646 4.498 ( 8.833 -3.777 0.000) 9.607 4.974 ( 24.580 -15.247 0.000) 28.925 4.994 ( 7.483 3.386 0.000) 8.213 5.065 ( 8.852 -0.353 0.000) 8.859 5.168 ( 9.032 7.710 0.000) 11.875 5.384 ( 5.941 0.997 0.000) 6.024 5.520 ( 7.023 23.637 0.000) 24.658 5.583 ( -10.539 5.773 0.000) 12.017 6.154 ( -4.760 20.843 0.000) 21.379 6.254 ( -5.683 -21.401 0.000) 22.143 6.654 ( 4.486 -12.993 0.000) 13.745 7.337 ( -0.555 -16.619 0.000) 16.628 7.430 ( 4.706 3.065 0.000) 5.616 7.626 ( 6.054 -5.266 0.000) 8.023 7.705 ( 0.317 3.236 0.000) 3.251 7.998 ( -1.476 -12.466 0.000) 12.553 8.319 ( 4.922 7.230 0.000) 8.747 8.445 ( -0.182 2.116 0.000) 2.124 8.458 ( -3.454 0.634 0.000) 3.512 8.592 ( 2.084 -0.282 0.000) 2.103 8.671 ( -6.715 -10.650 0.000) 12.590 8.767 ( 24.363 -7.630 0.000) 25.529 9.121 ( 3.703 9.396 0.000) 10.100 9.606 ( -0.375 -8.545 0.000) 8.554 9.808 ( -1.970 3.461 0.000) 3.982 9.856 ( -8.793 0.382 0.000) 8.802 10.047 ( 0.736 7.551 0.000) 7.587 10.396 ( 14.129 -5.044 0.000) 15.002 11.652 ( -7.200 7.370 0.000) 10.303 11.840 ( 14.501 -1.110 0.000) 14.544 11.857 ( -4.949 1.795 0.000) 5.265 11.994 ( -1.854 -4.725 0.000) 5.075 12.416 ( 18.209 4.182 0.000) 18.683 12.698 ( 7.044 -6.783 0.000) 9.779 12.777 ( 4.143 39.447 0.000) 39.664 13.242 ( 4.466 26.067 0.000) 26.447 14.183 ( 2.274 -20.221 0.000) 20.349 14.578 ( -12.429 9.722 0.000) 15.780 14.867 ( 4.210 -43.451 0.000) 43.654 14.925 ( 0.755 -8.586 0.000) 8.619 16.031 ( -21.971 4.435 0.000) 22.415 16.233 ( -11.343 -5.839 0.000) 12.758 16.891 ( -8.759 5.574 0.000) 10.382 17.178 ( -8.419 -6.429 0.000) 10.593 18.410 ( 18.725 7.613 0.000) 20.214 18.745 ( 11.862 -6.271 0.000) 13.418 20.009 ( -2.847 11.697 0.000) 12.039 20.319 ( -2.645 -2.735 0.000) 3.805 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 10.903 17.408 0.000) 20.541 1.753 ( 10.861 19.241 0.000) 22.094 2.266 ( 9.020 -4.602 0.000) 10.126 2.469 ( -2.482 -10.237 0.000) 10.533 2.951 ( 7.472 8.164 0.000) 11.067 3.117 ( 0.004 1.077 0.000) 1.077 3.283 ( -13.268 -8.176 0.000) 15.585 3.339 ( -7.480 0.378 0.000) 7.489 3.545 ( -8.324 -2.576 0.000) 8.714 3.846 ( -2.844 5.472 0.000) 6.167 3.852 ( -7.384 -6.994 0.000) 10.170 4.029 ( -1.463 -1.538 0.000) 2.123 4.810 ( 18.869 5.917 0.000) 19.776 5.175 ( 9.260 5.512 0.000) 10.777 5.244 ( -0.149 8.804 0.000) 8.806 5.300 ( 13.522 -0.755 0.000) 13.543 5.416 ( 7.708 3.045 0.000) 8.288 5.567 ( 23.551 -1.605 0.000) 23.606 5.681 ( 8.142 15.247 0.000) 17.285 5.714 ( 21.437 -7.452 0.000) 22.696 6.054 ( -4.236 13.005 0.000) 13.677 6.165 ( -1.886 -21.451 0.000) 21.534 6.749 ( 4.306 -0.509 0.000) 4.336 7.356 ( 2.753 -11.574 0.000) 11.897 7.548 ( 6.268 2.678 0.000) 6.816 7.678 ( -3.477 0.046 0.000) 3.478 7.784 ( 8.480 -7.336 0.000) 11.213 7.931 ( -5.572 -11.077 0.000) 12.399 8.218 ( -9.719 4.181 0.000) 10.580 8.337 ( -9.774 -1.329 0.000) 9.864 8.366 ( -5.556 -2.297 0.000) 6.013 8.488 ( -10.470 -9.849 0.000) 14.375 8.877 ( 17.442 14.814 0.000) 22.884 9.122 ( 11.100 3.494 0.000) 11.637 9.423 ( 22.091 -6.033 0.000) 22.900 9.634 ( 7.294 -9.066 0.000) 11.636 9.662 ( -8.804 3.042 0.000) 9.315 9.761 ( -3.964 -0.658 0.000) 4.018 10.100 ( 4.196 15.711 0.000) 16.262 10.698 ( 15.456 -7.112 0.000) 17.014 11.463 ( -10.695 15.431 0.000) 18.775 11.700 ( -10.462 1.203 0.000) 10.531 11.902 ( -8.048 -7.086 0.000) 10.723 12.088 ( 3.676 -12.013 0.000) 12.563 12.823 ( 28.097 7.998 0.000) 29.213 12.916 ( 9.917 36.034 0.000) 37.373 13.152 ( 35.327 -6.831 0.000) 35.981 13.390 ( 10.132 24.140 0.000) 26.180 14.256 ( 5.006 -18.073 0.000) 18.754 14.332 ( -11.432 12.707 0.000) 17.093 14.879 ( -5.161 -11.629 0.000) 12.723 14.986 ( 7.437 -41.555 0.000) 42.215 15.532 ( -25.275 9.258 0.000) 26.917 15.998 ( -11.115 -14.299 0.000) 18.111 16.619 ( -18.376 5.925 0.000) 19.308 16.916 ( -17.675 -6.543 0.000) 18.847 18.838 ( 21.940 4.687 0.000) 22.436 18.991 ( 11.824 -0.471 0.000) 11.834 19.925 ( -5.448 11.826 0.000) 13.021 20.238 ( -5.432 -2.793 0.000) 6.108 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 11.777 9.265 0.000) 14.985 1.966 ( 9.305 8.079 0.000) 12.323 2.432 ( -0.082 -11.610 0.000) 11.610 2.493 ( 12.900 -3.291 0.000) 13.313 2.949 ( -7.277 -11.116 0.000) 13.286 3.016 ( -10.961 -8.124 0.000) 13.643 3.052 ( -6.409 -0.111 0.000) 6.410 3.237 ( -3.688 -2.455 0.000) 4.431 3.444 ( -1.034 -0.401 0.000) 1.109 3.693 ( -7.031 -5.929 0.000) 9.197 3.728 ( -7.989 6.551 0.000) 10.331 3.972 ( -5.442 -2.863 0.000) 6.150 5.146 ( 8.778 17.303 0.000) 19.402 5.312 ( 3.247 10.019 0.000) 10.532 5.351 ( 16.231 5.760 0.000) 17.223 5.569 ( 11.868 -2.297 0.000) 12.089 5.661 ( 14.891 2.388 0.000) 15.081 5.848 ( 8.805 6.247 0.000) 10.796 5.903 ( 12.017 2.423 0.000) 12.259 6.006 ( -0.320 5.597 0.000) 5.606 6.176 ( 3.324 -13.191 0.000) 13.603 6.288 ( 28.761 -14.822 0.000) 32.356 6.790 ( -1.957 11.941 0.000) 12.100 7.440 ( 4.332 -2.109 0.000) 4.818 7.557 ( -7.834 -8.531 0.000) 11.583 7.667 ( 5.410 3.255 0.000) 6.313 7.780 ( -8.034 -8.697 0.000) 11.840 7.924 ( 3.471 -5.445 0.000) 6.457 7.999 ( -11.039 2.462 0.000) 11.310 8.137 ( -7.731 -4.893 0.000) 9.150 8.201 ( -10.835 -5.079 0.000) 11.966 8.320 ( -5.383 -8.781 0.000) 10.300 9.081 ( 5.975 13.216 0.000) 14.504 9.413 ( 10.139 1.379 0.000) 10.232 9.492 ( -7.979 4.610 0.000) 9.215 9.663 ( 14.614 4.145 0.000) 15.190 9.669 ( -4.894 -2.475 0.000) 5.484 10.106 ( 29.471 -9.632 0.000) 31.005 10.196 ( 4.658 22.251 0.000) 22.734 10.998 ( 12.914 -5.812 0.000) 14.161 11.242 ( -10.556 17.873 0.000) 20.757 11.454 ( -12.901 -2.881 0.000) 13.219 11.667 ( -14.236 -5.718 0.000) 15.341 12.000 ( -9.521 -14.327 0.000) 17.202 13.173 ( 14.940 28.255 0.000) 31.961 13.575 ( 41.044 8.159 0.000) 41.847 13.639 ( 14.144 19.734 0.000) 24.279 13.935 ( 34.734 -5.420 0.000) 35.155 14.137 ( -3.008 9.405 0.000) 9.874 14.383 ( 7.507 -14.024 0.000) 15.907 14.726 ( -8.664 -10.050 0.000) 13.269 15.078 ( -18.239 11.941 0.000) 21.801 15.158 ( 9.257 -38.577 0.000) 39.672 15.785 ( -10.193 -21.862 0.000) 24.121 16.143 ( -28.716 6.617 0.000) 29.468 16.458 ( -27.699 -6.714 0.000) 28.501 19.216 ( 10.972 5.262 0.000) 12.168 19.262 ( 19.187 1.723 0.000) 19.264 19.792 ( -7.583 11.734 0.000) 13.971 20.098 ( -8.475 -2.654 0.000) 8.881 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 5.258 1.754 0.000) 5.543 2.099 ( 3.449 -0.615 0.000) 3.503 2.500 ( 7.154 -14.462 0.000) 16.135 2.707 ( -11.663 -10.483 0.000) 15.682 2.751 ( 10.001 -8.800 0.000) 13.322 2.919 ( -6.788 1.020 0.000) 6.864 2.938 ( 3.082 -3.328 0.000) 4.536 3.098 ( -9.473 -1.265 0.000) 9.557 3.467 ( 1.967 -0.334 0.000) 1.995 3.562 ( -7.419 4.700 0.000) 8.782 3.660 ( 4.955 -5.728 0.000) 7.574 3.818 ( -8.849 -4.938 0.000) 10.133 5.248 ( 3.805 14.266 0.000) 14.765 5.313 ( -2.266 13.285 0.000) 13.477 5.645 ( 8.804 -3.203 0.000) 9.369 5.718 ( 1.743 -5.329 0.000) 5.606 5.999 ( 4.368 3.402 0.000) 5.536 6.005 ( 8.619 3.701 0.000) 9.380 6.069 ( 6.651 -0.958 0.000) 6.719 6.097 ( 11.755 7.263 0.000) 13.818 6.223 ( 5.485 -1.122 0.000) 5.599 6.594 ( -17.811 17.232 0.000) 24.783 6.843 ( 24.961 -12.598 0.000) 27.960 7.275 ( -17.229 -7.292 0.000) 18.708 7.584 ( 6.324 -2.749 0.000) 6.896 7.708 ( 2.582 -5.830 0.000) 6.376 7.717 ( -4.501 4.546 0.000) 6.397 7.839 ( -8.363 -1.814 0.000) 8.558 7.854 ( 1.630 -1.862 0.000) 2.475 7.989 ( -9.271 -3.019 0.000) 9.750 8.132 ( 4.324 -10.234 0.000) 11.110 8.225 ( -4.581 -9.381 0.000) 10.440 9.202 ( 6.341 9.008 0.000) 11.016 9.339 ( -7.198 6.266 0.000) 9.543 9.507 ( 2.866 -3.592 0.000) 4.596 9.576 ( -4.094 -3.284 0.000) 5.248 10.036 ( 17.058 17.795 0.000) 24.650 10.239 ( -2.400 24.428 0.000) 24.546 10.685 ( 27.182 -9.559 0.000) 28.813 11.073 ( -4.863 15.141 0.000) 15.902 11.084 ( -4.468 9.063 0.000) 10.104 11.173 ( -19.270 -12.820 0.000) 23.145 11.526 ( 7.044 -9.754 0.000) 12.032 11.764 ( -13.013 -13.664 0.000) 18.869 13.493 ( 16.019 19.356 0.000) 25.125 13.790 ( -12.400 12.475 0.000) 17.590 13.949 ( 16.240 13.453 0.000) 21.088 14.268 ( -12.631 2.990 0.000) 12.980 14.518 ( 33.431 6.201 0.000) 34.001 14.549 ( 8.476 -7.880 0.000) 11.573 14.827 ( 0.090 -0.132 0.000) 0.160 15.007 ( 37.464 -4.624 0.000) 37.748 15.325 ( -0.545 -29.579 0.000) 29.584 15.491 ( -27.674 2.555 0.000) 27.791 15.582 ( -9.863 -27.257 0.000) 28.986 15.803 ( -36.583 -6.809 0.000) 37.211 19.427 ( 10.079 9.028 0.000) 13.531 19.616 ( 15.626 -0.607 0.000) 15.638 19.622 ( -9.121 10.988 0.000) 14.280 19.893 ( -11.874 -2.021 0.000) 12.045 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 -16.744 0.000) 16.744 1.835 ( 0.000 16.744 0.000) 16.744 2.089 ( 0.000 -24.487 0.000) 24.487 2.089 ( 0.000 24.487 0.000) 24.487 3.398 ( 0.000 -22.508 0.000) 22.508 3.398 ( 0.000 22.508 0.000) 22.508 3.462 ( 0.000 -16.303 0.000) 16.303 3.462 ( 0.000 16.303 0.000) 16.303 3.791 ( 0.000 -8.300 0.000) 8.300 3.791 ( 0.000 8.300 0.000) 8.300 3.918 ( 0.000 -7.432 0.000) 7.432 3.918 ( 0.000 7.432 0.000) 7.432 4.388 ( 0.000 -2.583 0.000) 2.583 4.388 ( 0.000 2.583 0.000) 2.583 4.955 ( 0.000 -1.237 0.000) 1.237 4.955 ( 0.000 1.237 0.000) 1.237 5.210 ( 0.000 -6.135 0.000) 6.135 5.210 ( 0.000 6.135 0.000) 6.135 5.953 ( 0.000 -13.332 0.000) 13.332 5.953 ( 0.000 13.332 0.000) 13.332 6.057 ( 0.000 -28.655 0.000) 28.655 6.057 ( 0.000 28.655 0.000) 28.655 6.820 ( 0.000 -28.376 0.000) 28.376 6.820 ( 0.000 28.376 0.000) 28.376 7.475 ( 0.000 -4.665 0.000) 4.665 7.475 ( 0.000 4.665 0.000) 4.665 7.815 ( 0.000 -6.603 0.000) 6.603 7.815 ( 0.000 6.603 0.000) 6.603 8.291 ( 0.000 -4.984 0.000) 4.984 8.291 ( 0.000 4.984 0.000) 4.984 8.564 ( 0.000 -5.409 0.000) 5.409 8.564 ( 0.000 5.409 0.000) 5.409 8.572 ( 0.000 -3.601 0.000) 3.601 8.572 ( 0.000 3.601 0.000) 3.601 9.370 ( 0.000 -13.033 0.000) 13.033 9.370 ( 0.000 13.033 0.000) 13.033 9.929 ( 0.000 -3.656 0.000) 3.656 9.929 ( 0.000 3.656 0.000) 3.656 10.128 ( 0.000 -1.440 0.000) 1.440 10.128 ( 0.000 1.440 0.000) 1.440 11.705 ( 0.000 -2.908 0.000) 2.908 11.705 ( 0.000 2.908 0.000) 2.908 11.951 ( 0.000 -2.462 0.000) 2.462 11.951 ( 0.000 2.462 0.000) 2.462 12.447 ( 0.000 -11.144 0.000) 11.144 12.447 ( 0.000 11.144 0.000) 11.144 13.599 ( 0.000 -33.875 0.000) 33.875 13.599 ( 0.000 33.875 0.000) 33.875 13.869 ( 0.000 -39.824 0.000) 39.824 13.869 ( 0.000 39.824 0.000) 39.824 14.809 ( 0.000 -2.651 0.000) 2.651 14.809 ( 0.000 2.651 0.000) 2.651 16.331 ( 0.000 -1.847 0.000) 1.847 16.331 ( 0.000 1.847 0.000) 1.847 17.115 ( 0.000 -6.936 0.000) 6.936 17.115 ( 0.000 6.936 0.000) 6.936 18.401 ( 0.000 -9.864 0.000) 9.864 18.401 ( 0.000 9.864 0.000) 9.864 20.243 ( 0.000 -7.155 0.000) 7.155 20.243 ( 0.000 7.155 0.000) 7.155 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 5.534 -15.538 0.000) 16.494 1.897 ( 5.534 15.538 0.000) 16.494 2.114 ( 2.211 -22.832 0.000) 22.939 2.114 ( 2.211 22.832 0.000) 22.939 3.300 ( -8.068 -16.979 0.000) 18.798 3.300 ( -8.068 16.979 0.000) 18.798 3.375 ( -7.550 -13.326 0.000) 15.316 3.375 ( -7.550 13.326 0.000) 15.316 3.762 ( -2.985 -9.443 0.000) 9.903 3.762 ( -2.985 9.443 0.000) 9.903 3.954 ( 2.267 -6.289 0.000) 6.685 3.954 ( 2.267 6.289 0.000) 6.685 4.613 ( 20.195 -14.400 0.000) 24.804 4.613 ( 20.195 14.400 0.000) 24.804 5.046 ( 8.441 -1.551 0.000) 8.582 5.046 ( 8.441 1.551 0.000) 8.582 5.317 ( 10.302 -5.716 0.000) 11.781 5.317 ( 10.302 5.716 0.000) 11.781 5.836 ( -9.177 -16.373 0.000) 18.770 5.836 ( -9.177 16.373 0.000) 18.770 6.052 ( -0.838 -23.560 0.000) 23.575 6.052 ( -0.838 23.560 0.000) 23.575 6.860 ( 4.232 -25.027 0.000) 25.382 6.860 ( 4.232 25.027 0.000) 25.382 7.518 ( 4.490 -4.762 0.000) 6.545 7.518 ( 4.490 4.762 0.000) 6.545 7.805 ( -1.319 -6.236 0.000) 6.374 7.805 ( -1.319 6.236 0.000) 6.374 8.435 ( 0.226 -3.396 0.000) 3.404 8.435 ( 0.226 3.396 0.000) 3.404 8.508 ( -5.388 -4.593 0.000) 7.080 8.508 ( -5.388 4.593 0.000) 7.080 8.634 ( 17.053 -4.485 0.000) 17.633 8.634 ( 17.053 4.485 0.000) 17.633 9.370 ( 0.242 -12.483 0.000) 12.485 9.370 ( 0.242 12.483 0.000) 12.485 9.849 ( -5.947 -0.776 0.000) 5.998 9.849 ( -5.947 0.776 0.000) 5.998 10.240 ( 8.949 -9.103 0.000) 12.765 10.240 ( 8.949 9.103 0.000) 12.765 11.782 ( 5.042 -4.426 0.000) 6.709 11.782 ( 5.042 4.426 0.000) 6.709 11.910 ( -4.256 -3.155 0.000) 5.298 11.910 ( -4.256 3.155 0.000) 5.298 12.542 ( 11.566 -7.187 0.000) 13.617 12.542 ( 11.566 7.187 0.000) 13.617 13.601 ( 0.680 -28.870 0.000) 28.878 13.601 ( 0.680 28.870 0.000) 28.878 13.943 ( 6.917 -35.283 0.000) 35.955 13.943 ( 6.917 35.283 0.000) 35.955 14.754 ( -5.264 -7.585 0.000) 9.232 14.754 ( -5.264 7.585 0.000) 9.232 16.127 ( -17.403 -4.520 0.000) 17.981 16.127 ( -17.403 4.520 0.000) 17.981 17.030 ( -8.546 -7.018 0.000) 11.058 17.030 ( -8.546 7.018 0.000) 11.058 18.584 ( 15.652 -8.231 0.000) 17.684 18.584 ( 15.652 8.231 0.000) 17.684 20.215 ( -2.732 -7.208 0.000) 7.708 20.215 ( -2.732 7.208 0.000) 7.708 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 8.134 -15.417 0.000) 17.431 2.037 ( 8.134 15.417 0.000) 17.431 2.160 ( 1.782 -17.654 0.000) 17.744 2.160 ( 1.782 17.654 0.000) 17.744 3.106 ( -10.909 -7.472 0.000) 13.222 3.106 ( -10.909 7.472 0.000) 13.222 3.214 ( -6.962 -7.266 0.000) 10.063 3.214 ( -6.962 7.266 0.000) 10.063 3.670 ( -5.937 -9.259 0.000) 10.999 3.670 ( -5.937 9.259 0.000) 10.999 3.969 ( -1.650 -4.614 0.000) 4.901 3.969 ( -1.650 4.614 0.000) 4.901 5.094 ( 24.411 -16.419 0.000) 29.419 5.094 ( 24.411 16.419 0.000) 29.419 5.263 ( 12.084 -2.768 0.000) 12.397 5.263 ( 12.084 2.768 0.000) 12.397 5.559 ( 9.122 -6.365 0.000) 11.124 5.559 ( 9.122 6.365 0.000) 11.124 5.739 ( 5.782 -16.248 0.000) 17.246 5.739 ( 5.782 16.248 0.000) 17.246 6.017 ( -2.319 -13.471 0.000) 13.670 6.017 ( -2.319 13.471 0.000) 13.670 6.992 ( 8.331 -19.384 0.000) 21.099 6.992 ( 8.331 19.384 0.000) 21.099 7.642 ( 7.096 -5.731 0.000) 9.122 7.642 ( 7.096 5.731 0.000) 9.122 7.744 ( -5.178 -5.992 0.000) 7.919 7.744 ( -5.178 5.992 0.000) 7.919 8.292 ( -10.385 -2.762 0.000) 10.746 8.292 ( -10.385 2.762 0.000) 10.746 8.361 ( -8.648 -2.352 0.000) 8.962 8.361 ( -8.648 2.352 0.000) 8.962 9.126 ( 22.693 -6.303 0.000) 23.552 9.126 ( 22.693 6.303 0.000) 23.552 9.418 ( 8.023 -8.028 0.000) 11.350 9.418 ( 8.023 8.028 0.000) 11.350 9.720 ( -6.557 -2.545 0.000) 7.034 9.720 ( -6.557 2.545 0.000) 7.034 10.450 ( 11.420 -15.263 0.000) 19.063 10.450 ( 11.420 15.263 0.000) 19.063 11.770 ( -9.712 -5.011 0.000) 10.928 11.770 ( -9.712 5.011 0.000) 10.928 11.797 ( -4.221 -14.987 0.000) 15.570 11.797 ( -4.221 14.987 0.000) 15.570 12.993 ( 32.617 -7.777 0.000) 33.531 12.993 ( 32.617 7.777 0.000) 33.531 13.645 ( 3.906 -23.315 0.000) 23.640 13.645 ( 3.906 23.315 0.000) 23.640 14.132 ( 11.417 -30.205 0.000) 32.291 14.132 ( 11.417 30.205 0.000) 32.291 14.608 ( -8.833 -13.012 0.000) 15.727 14.608 ( -8.833 13.012 0.000) 15.727 15.742 ( -19.074 -10.375 0.000) 21.713 15.742 ( -19.074 10.375 0.000) 21.713 16.764 ( -17.926 -7.265 0.000) 19.342 16.764 ( -17.926 7.265 0.000) 19.342 18.937 ( 17.808 -4.077 0.000) 18.269 18.937 ( 17.808 4.077 0.000) 18.269 20.133 ( -5.424 -7.271 0.000) 9.071 20.133 ( -5.424 7.271 0.000) 9.071 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.155 -11.304 0.000) 11.305 2.175 ( 0.155 11.304 0.000) 11.305 2.211 ( 7.963 -17.778 0.000) 19.480 2.211 ( 7.963 17.778 0.000) 19.480 2.888 ( -9.014 -3.733 0.000) 9.756 2.888 ( -9.014 3.733 0.000) 9.756 3.122 ( -2.967 -5.724 0.000) 6.448 3.122 ( -2.967 5.724 0.000) 6.448 3.544 ( -5.264 -7.180 0.000) 8.903 3.544 ( -5.264 7.180 0.000) 8.903 3.873 ( -7.568 -6.202 0.000) 9.785 3.873 ( -7.568 6.202 0.000) 9.785 5.412 ( 6.412 -3.844 0.000) 7.476 5.412 ( 6.412 3.844 0.000) 7.476 5.484 ( 8.258 -5.866 0.000) 10.129 5.484 ( 8.258 5.866 0.000) 10.129 5.827 ( 19.935 -15.172 0.000) 25.052 5.827 ( 19.935 15.172 0.000) 25.052 5.989 ( 0.505 -5.565 0.000) 5.588 5.989 ( 0.505 5.565 0.000) 5.588 6.025 ( 17.926 -7.745 0.000) 19.528 6.025 ( 17.926 7.745 0.000) 19.528 7.148 ( 4.360 -18.730 0.000) 19.230 7.148 ( 4.360 18.730 0.000) 19.230 7.594 ( -7.945 -7.043 0.000) 10.617 7.594 ( -7.945 7.043 0.000) 10.617 7.781 ( 6.283 -6.760 0.000) 9.229 7.781 ( 6.283 6.760 0.000) 9.229 8.060 ( -11.947 -2.936 0.000) 12.303 8.060 ( -11.947 2.936 0.000) 12.303 8.188 ( -7.894 -3.368 0.000) 8.582 8.188 ( -7.894 3.368 0.000) 8.582 9.320 ( 3.040 -8.609 0.000) 9.130 9.320 ( 3.040 8.609 0.000) 9.130 9.589 ( -6.299 -4.436 0.000) 7.704 9.589 ( -6.299 4.436 0.000) 7.704 9.857 ( 28.313 -12.094 0.000) 30.788 9.857 ( 28.313 12.094 0.000) 30.788 10.678 ( 10.171 -21.026 0.000) 23.357 10.678 ( 10.171 21.026 0.000) 23.357 11.525 ( -13.768 -6.741 0.000) 15.330 11.525 ( -13.768 6.741 0.000) 15.330 11.644 ( -9.945 -18.439 0.000) 20.950 11.644 ( -9.945 18.439 0.000) 20.950 13.760 ( 7.340 -19.449 0.000) 20.788 13.760 ( 7.340 19.449 0.000) 20.788 13.765 ( 40.113 -9.059 0.000) 41.124 13.765 ( 40.113 9.059 0.000) 41.124 14.392 ( 14.033 -26.506 0.000) 29.992 14.392 ( 14.033 26.506 0.000) 29.992 14.427 ( -7.208 -15.579 0.000) 17.166 14.427 ( -7.208 15.579 0.000) 17.166 15.382 ( -16.402 -16.031 0.000) 22.935 15.382 ( -16.402 16.031 0.000) 22.935 16.300 ( -28.011 -7.666 0.000) 29.041 16.300 ( -28.011 7.666 0.000) 29.041 19.277 ( 15.704 -0.704 0.000) 15.720 19.277 ( 15.704 0.704 0.000) 15.720 19.997 ( -8.037 -7.069 0.000) 10.704 19.997 ( -8.037 7.069 0.000) 10.704 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 3.014 -10.360 0.000) 10.789 2.200 ( 3.014 10.360 0.000) 10.789 2.277 ( -2.378 -15.814 0.000) 15.992 2.277 ( -2.378 15.814 0.000) 15.992 2.841 ( 5.493 -5.100 0.000) 7.496 2.841 ( 5.493 5.100 0.000) 7.496 3.015 ( -8.558 -5.560 0.000) 10.205 3.015 ( -8.558 5.560 0.000) 10.205 3.532 ( 4.759 -5.475 0.000) 7.255 3.532 ( 4.759 5.475 0.000) 7.255 3.691 ( -9.556 -6.556 0.000) 11.589 3.691 ( -9.556 6.556 0.000) 11.589 5.506 ( 3.924 -9.561 0.000) 10.335 5.506 ( 3.924 9.561 0.000) 10.335 5.559 ( -0.456 -9.537 0.000) 9.548 5.559 ( -0.456 9.537 0.000) 9.548 6.048 ( 4.009 -1.408 0.000) 4.250 6.048 ( 4.009 1.408 0.000) 4.250 6.070 ( 3.610 -3.156 0.000) 4.795 6.070 ( 3.610 3.156 0.000) 4.795 6.500 ( 26.737 -17.889 0.000) 32.169 6.500 ( 26.737 17.889 0.000) 32.169 6.991 ( -19.487 -17.841 0.000) 26.421 6.991 ( -19.487 17.841 0.000) 26.421 7.591 ( 7.615 -3.413 0.000) 8.344 7.591 ( 7.615 3.413 0.000) 8.344 7.789 ( -9.908 -2.127 0.000) 10.134 7.789 ( -9.908 2.127 0.000) 10.134 7.934 ( 4.268 -7.446 0.000) 8.583 7.934 ( 4.268 7.446 0.000) 8.583 8.047 ( -6.216 -6.560 0.000) 9.037 8.047 ( -6.216 6.560 0.000) 9.037 9.382 ( 3.616 -7.559 0.000) 8.380 9.382 ( 3.616 7.559 0.000) 8.380 9.471 ( -5.245 -5.922 0.000) 7.911 9.471 ( -5.245 5.922 0.000) 7.911 10.405 ( 24.543 -15.847 0.000) 29.215 10.405 ( 24.543 15.847 0.000) 29.215 10.759 ( -6.656 -22.927 0.000) 23.873 10.759 ( -6.656 22.927 0.000) 23.873 11.314 ( -2.527 -10.420 0.000) 10.723 11.314 ( -2.527 10.420 0.000) 10.723 11.430 ( -10.255 -16.978 0.000) 19.835 11.430 ( -10.255 16.978 0.000) 19.835 13.931 ( 9.310 -16.672 0.000) 19.096 13.931 ( 9.310 16.672 0.000) 19.096 14.113 ( -6.890 -14.648 0.000) 16.187 14.113 ( -6.890 14.648 0.000) 16.187 14.683 ( 14.047 -23.038 0.000) 26.983 14.683 ( 14.047 23.038 0.000) 26.983 14.713 ( 29.131 -10.036 0.000) 30.811 14.713 ( 29.131 10.036 0.000) 30.811 15.112 ( -4.290 -14.893 0.000) 15.499 15.112 ( -4.290 14.893 0.000) 15.499 15.643 ( -36.286 -7.848 0.000) 37.125 15.643 ( -36.286 7.848 0.000) 37.125 19.569 ( 13.134 -4.141 0.000) 13.772 19.569 ( 13.134 4.141 0.000) 13.772 19.808 ( -10.588 -6.184 0.000) 12.261 19.808 ( -10.588 6.184 0.000) 12.261 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 0.000 30.104) 30.104 0.725 ( 0.000 0.000 35.096) 35.096 1.228 ( 0.000 0.000 58.903) 58.903 2.358 ( 0.000 0.000 6.539) 6.539 2.556 ( 0.000 0.000 4.035) 4.035 2.959 ( 0.000 0.000 -13.703) 13.703 3.312 ( 0.000 0.000 -1.544) 1.544 3.554 ( 0.000 0.000 -1.104) 1.104 3.920 ( 0.000 0.000 -5.163) 5.163 4.062 ( 0.000 0.000 -1.787) 1.787 4.128 ( 0.000 0.000 -1.729) 1.729 4.139 ( 0.000 0.000 -6.346) 6.346 4.710 ( 0.000 0.000 7.301) 7.301 4.754 ( 0.000 0.000 2.197) 2.197 4.800 ( 0.000 0.000 0.311) 0.311 4.831 ( 0.000 0.000 3.518) 3.518 4.911 ( 0.000 0.000 6.086) 6.086 5.216 ( 0.000 0.000 7.626) 7.626 5.333 ( 0.000 0.000 -8.975) 8.975 5.583 ( 0.000 0.000 0.236) 0.236 5.686 ( 0.000 0.000 12.394) 12.394 6.905 ( 0.000 0.000 0.939) 0.939 6.939 ( 0.000 0.000 -10.604) 10.604 7.378 ( 0.000 0.000 7.155) 7.155 7.516 ( 0.000 0.000 -10.713) 10.713 7.555 ( 0.000 0.000 1.049) 1.049 7.645 ( 0.000 0.000 6.276) 6.276 8.193 ( 0.000 0.000 0.329) 0.329 8.334 ( 0.000 0.000 -5.945) 5.945 8.344 ( 0.000 0.000 -0.375) 0.375 8.425 ( 0.000 0.000 -4.754) 4.754 8.559 ( 0.000 0.000 -13.012) 13.012 8.798 ( 0.000 0.000 1.532) 1.532 9.052 ( 0.000 0.000 -9.116) 9.116 9.253 ( 0.000 0.000 15.361) 15.361 9.344 ( 0.000 0.000 4.640) 4.640 9.692 ( 0.000 0.000 1.110) 1.110 9.778 ( 0.000 0.000 4.527) 4.527 9.826 ( 0.000 0.000 -5.784) 5.784 10.197 ( 0.000 0.000 -5.826) 5.826 11.702 ( 0.000 0.000 -10.638) 10.638 11.702 ( 0.000 0.000 6.733) 6.733 11.707 ( 0.000 0.000 -14.417) 14.417 11.809 ( 0.000 0.000 19.033) 19.033 11.899 ( 0.000 0.000 -3.778) 3.778 12.339 ( 0.000 0.000 12.006) 12.006 12.350 ( 0.000 0.000 -4.627) 4.627 13.205 ( 0.000 0.000 26.982) 26.982 14.683 ( 0.000 0.000 5.876) 5.876 15.003 ( 0.000 0.000 3.634) 3.634 15.898 ( 0.000 0.000 -0.082) 0.082 15.930 ( 0.000 0.000 -4.302) 4.302 16.112 ( 0.000 0.000 -7.223) 7.223 16.323 ( 0.000 0.000 -8.149) 8.149 16.443 ( 0.000 0.000 -29.972) 29.972 16.686 ( 0.000 0.000 -2.412) 2.412 18.359 ( 0.000 0.000 28.973) 28.973 19.233 ( 0.000 0.000 0.323) 0.323 19.629 ( 0.000 0.000 -1.854) 1.854 20.358 ( 0.000 0.000 -1.811) 1.811 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 19.788 0.000 21.846) 29.476 1.013 ( 24.121 0.000 23.623) 33.762 1.645 ( 33.650 0.000 42.366) 54.104 2.430 ( 8.554 0.000 4.054) 9.466 2.580 ( 2.292 0.000 3.978) 4.591 2.983 ( 2.089 0.000 -13.488) 13.649 3.253 ( -4.239 0.000 -2.613) 4.980 3.566 ( -1.415 0.000 -1.647) 2.171 3.895 ( -3.876 0.000 -4.215) 5.726 3.984 ( -3.004 0.000 -5.168) 5.978 4.080 ( -5.426 0.000 -1.276) 5.574 4.086 ( -5.907 0.000 -3.937) 7.099 4.708 ( 2.643 0.000 -10.528) 10.855 4.764 ( 1.553 0.000 -2.586) 3.017 4.893 ( 3.800 0.000 4.612) 5.976 4.957 ( 9.999 0.000 4.528) 10.976 4.967 ( 12.829 0.000 3.383) 13.268 5.321 ( 8.101 0.000 2.206) 8.396 5.514 ( 9.044 0.000 -1.327) 9.140 5.684 ( 6.353 0.000 8.349) 10.492 5.750 ( 8.384 0.000 15.782) 17.871 6.762 ( -7.376 0.000 -8.266) 11.078 6.976 ( -1.623 0.000 -2.113) 2.664 7.396 ( 6.354 0.000 -4.319) 7.682 7.589 ( 1.811 0.000 1.705) 2.487 7.626 ( -1.358 0.000 3.860) 4.092 7.780 ( 14.006 0.000 -3.725) 14.493 8.136 ( 0.938 0.000 11.799) 11.837 8.226 ( -7.928 0.000 -8.711) 11.778 8.362 ( -2.116 0.000 -8.369) 8.632 8.450 ( 0.417 0.000 -0.264) 0.493 8.519 ( -0.613 0.000 -9.256) 9.277 9.052 ( 7.487 0.000 8.529) 11.349 9.072 ( 0.322 0.000 -6.803) 6.810 9.365 ( 7.599 0.000 -13.843) 15.791 9.401 ( 6.911 0.000 3.348) 7.679 9.692 ( 0.406 0.000 1.070) 1.144 9.746 ( -4.478 0.000 -6.837) 8.173 9.782 ( 0.246 0.000 5.970) 5.975 10.311 ( 10.170 0.000 -7.526) 12.652 11.400 ( -14.163 0.000 -2.312) 14.350 11.643 ( 2.388 0.000 -0.735) 2.499 11.794 ( -4.038 0.000 -4.691) 6.190 12.020 ( 11.017 0.000 -23.507) 25.960 12.172 ( 27.174 0.000 23.731) 36.077 12.288 ( -5.882 0.000 -4.771) 7.574 12.543 ( 17.123 0.000 15.476) 23.080 13.282 ( 8.578 0.000 27.958) 29.244 14.586 ( -25.492 0.000 30.362) 39.645 14.705 ( -1.121 0.000 7.730) 7.811 15.317 ( -12.242 0.000 5.894) 13.587 15.634 ( -27.672 0.000 -22.508) 35.670 16.046 ( 1.449 0.000 3.657) 3.934 16.571 ( 3.768 0.000 -13.325) 13.847 16.680 ( -1.056 0.000 -3.942) 4.081 17.003 ( 18.955 0.000 -21.584) 28.725 18.485 ( 12.127 0.000 21.613) 24.782 18.938 ( -15.665 0.000 6.792) 17.074 19.593 ( -3.502 0.000 -2.218) 4.145 20.331 ( -2.721 0.000 -1.987) 3.369 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 21.982 0.000 10.549) 24.383 1.556 ( 27.535 0.000 12.850) 30.385 2.175 ( 14.215 0.000 23.702) 27.638 2.638 ( 3.053 0.000 3.857) 4.920 2.817 ( 28.171 0.000 4.960) 28.604 3.034 ( 3.755 0.000 -11.115) 11.733 3.200 ( -0.429 0.000 -6.679) 6.692 3.467 ( -7.799 0.000 -0.643) 7.826 3.756 ( -8.909 0.000 -2.327) 9.208 3.892 ( -8.536 0.000 1.138) 8.611 3.899 ( -11.509 0.000 -1.973) 11.677 3.990 ( -1.055 0.000 -9.681) 9.738 4.761 ( -1.658 0.000 -0.360) 1.697 4.804 ( 6.554 0.000 -17.157) 18.366 4.981 ( 3.763 0.000 1.980) 4.252 5.268 ( 17.048 0.000 0.991) 17.076 5.298 ( 18.551 0.000 1.854) 18.643 5.472 ( 8.871 0.000 1.467) 8.992 5.720 ( 11.456 0.000 7.225) 13.544 5.789 ( 5.908 0.000 16.415) 17.446 6.087 ( 23.229 0.000 14.409) 27.335 6.639 ( -4.851 0.000 -8.460) 9.752 6.871 ( -8.749 0.000 -2.465) 9.090 7.532 ( -6.765 0.000 -0.582) 6.790 7.553 ( 7.522 0.000 -7.471) 10.602 7.622 ( -1.213 0.000 -3.291) 3.507 7.974 ( 2.688 0.000 -1.604) 3.131 8.095 ( -3.394 0.000 -3.754) 5.061 8.224 ( 5.528 0.000 11.409) 12.678 8.291 ( -0.291 0.000 -9.134) 9.138 8.416 ( -3.634 0.000 4.654) 5.905 8.557 ( 3.452 0.000 -2.502) 4.263 9.015 ( -5.876 0.000 -1.344) 6.028 9.099 ( -0.346 0.000 6.864) 6.873 9.398 ( -1.146 0.000 0.995) 1.518 9.574 ( 4.595 0.000 0.321) 4.606 9.690 ( -2.456 0.000 -12.014) 12.262 9.758 ( 1.547 0.000 2.925) 3.309 9.815 ( 12.340 0.000 6.555) 13.973 10.524 ( 8.145 0.000 -15.103) 17.159 11.193 ( -5.565 0.000 6.722) 8.726 11.667 ( -7.440 0.000 -8.109) 11.005 11.794 ( 8.526 0.000 -8.200) 11.829 12.152 ( -4.012 0.000 -7.504) 8.509 12.200 ( 5.159 0.000 -22.385) 22.972 12.850 ( 39.199 0.000 27.377) 47.812 12.888 ( 15.169 0.000 17.529) 23.181 13.646 ( 28.865 0.000 24.584) 37.915 14.227 ( -10.726 0.000 24.150) 26.425 14.732 ( 2.265 0.000 5.688) 6.122 14.999 ( -33.567 0.000 -24.585) 41.608 15.155 ( -6.366 0.000 0.931) 6.433 16.112 ( 4.313 0.000 4.422) 6.177 16.522 ( -10.252 0.000 -0.748) 10.280 16.613 ( -3.925 0.000 -1.031) 4.058 17.065 ( -9.459 0.000 -2.089) 9.687 18.775 ( -1.464 0.000 -5.842) 6.022 18.813 ( 19.085 0.000 8.868) 21.045 19.491 ( -6.488 0.000 -3.278) 7.269 20.247 ( -5.685 0.000 -2.453) 6.191 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 21.800 0.000 1.365) 21.843 2.072 ( 22.569 0.000 7.390) 23.748 2.370 ( 7.810 0.000 13.221) 15.355 2.683 ( 0.679 0.000 3.800) 3.860 3.006 ( -2.241 0.000 -8.542) 8.831 3.167 ( -6.495 0.000 -6.257) 9.018 3.329 ( -1.216 0.000 -7.000) 7.105 3.361 ( 13.034 0.000 6.499) 14.564 3.580 ( -7.402 0.000 -1.379) 7.530 3.672 ( -10.028 0.000 -2.655) 10.373 3.771 ( -0.489 0.000 4.218) 4.246 3.958 ( -2.745 0.000 -8.818) 9.235 4.730 ( -0.738 0.000 2.040) 2.169 4.971 ( -4.453 0.000 1.631) 4.742 5.015 ( 16.286 0.000 -14.737) 21.964 5.572 ( 14.174 0.000 -6.289) 15.507 5.675 ( 17.791 0.000 -0.202) 17.792 5.740 ( 14.467 0.000 11.015) 18.183 5.933 ( 10.730 0.000 18.485) 21.374 5.964 ( 8.205 0.000 8.078) 11.514 6.546 ( -5.531 0.000 -5.502) 7.802 6.563 ( 21.146 0.000 4.490) 21.617 6.624 ( -14.721 0.000 -3.798) 15.203 7.317 ( -13.234 0.000 -16.997) 21.542 7.607 ( 1.323 0.000 5.167) 5.333 7.668 ( 3.610 0.000 -6.168) 7.147 7.881 ( -8.014 0.000 -5.515) 9.728 8.065 ( -2.499 0.000 4.606) 5.241 8.297 ( 3.087 0.000 6.250) 6.971 8.347 ( -0.923 0.000 6.741) 6.804 8.385 ( 3.590 0.000 0.783) 3.674 8.661 ( 7.700 0.000 0.973) 7.761 8.852 ( -9.839 0.000 2.419) 10.132 9.073 ( -2.279 0.000 -3.454) 4.138 9.405 ( 2.150 0.000 8.242) 8.517 9.598 ( 0.154 0.000 2.459) 2.464 9.638 ( -2.476 0.000 -5.380) 5.923 9.720 ( -2.997 0.000 7.252) 7.846 10.259 ( 26.197 0.000 0.775) 26.209 10.606 ( 1.849 0.000 -14.742) 14.857 11.117 ( -6.072 0.000 8.622) 10.545 11.587 ( 2.785 0.000 -8.333) 8.786 11.692 ( -15.713 0.000 -2.381) 15.892 12.196 ( -5.280 0.000 -13.862) 14.834 12.393 ( 24.163 0.000 -18.867) 30.656 13.192 ( 15.725 0.000 15.030) 21.753 13.717 ( 45.250 0.000 26.049) 52.212 14.023 ( -8.315 0.000 14.064) 16.339 14.310 ( -33.984 0.000 -23.701) 41.433 14.399 ( 39.590 0.000 17.440) 43.261 14.792 ( 3.821 0.000 5.732) 6.889 15.045 ( -4.177 0.000 1.375) 4.397 16.108 ( -19.948 0.000 12.065) 23.312 16.254 ( -0.302 0.000 1.001) 1.046 16.540 ( -3.917 0.000 -0.452) 3.943 16.704 ( -25.064 0.000 7.568) 26.181 18.826 ( 5.564 0.000 -10.626) 11.994 19.211 ( 19.528 0.000 0.929) 19.550 19.337 ( -8.524 0.000 -4.971) 9.868 20.098 ( -9.050 0.000 -3.004) 9.535 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 19.124 0.000 -2.532) 19.291 2.444 ( 14.020 0.000 4.900) 14.852 2.455 ( -3.598 0.000 3.361) 4.924 2.639 ( -5.537 0.000 4.004) 6.833 2.902 ( -2.339 0.000 -3.928) 4.572 3.001 ( -8.418 0.000 -2.895) 8.902 3.377 ( 4.276 0.000 -4.138) 5.950 3.444 ( -1.179 0.000 -1.616) 2.000 3.487 ( -1.550 0.000 -2.089) 2.601 3.520 ( -4.725 0.000 -2.806) 5.495 3.822 ( 2.853 0.000 2.614) 3.870 3.887 ( -3.724 0.000 -4.003) 5.467 4.751 ( 3.060 0.000 2.644) 4.044 4.850 ( -6.289 0.000 2.168) 6.652 5.466 ( 25.807 0.000 -10.978) 28.045 5.838 ( 10.733 0.000 -0.593) 10.750 5.891 ( -8.463 0.000 -2.896) 8.945 5.932 ( 2.763 0.000 8.617) 9.050 6.041 ( 7.874 0.000 2.787) 8.352 6.154 ( 6.265 0.000 8.036) 10.190 6.322 ( -6.450 0.000 7.935) 10.225 6.437 ( -8.018 0.000 0.735) 8.051 6.878 ( 10.268 0.000 -9.662) 14.099 7.065 ( -10.533 0.000 -19.799) 22.427 7.708 ( 1.019 0.000 -5.492) 5.586 7.713 ( 9.082 0.000 11.320) 14.514 7.749 ( -4.085 0.000 -5.935) 7.205 7.925 ( -10.291 0.000 10.649) 14.809 8.351 ( 2.378 0.000 4.943) 5.485 8.394 ( -1.574 0.000 3.853) 4.162 8.432 ( 8.288 0.000 5.372) 9.877 8.635 ( -11.045 0.000 4.491) 11.923 8.842 ( 8.880 0.000 -0.446) 8.891 8.993 ( -5.797 0.000 -2.805) 6.440 9.481 ( 4.927 0.000 1.898) 5.280 9.577 ( -4.019 0.000 -0.288) 4.030 9.612 ( 1.430 0.000 4.726) 4.937 9.657 ( -2.927 0.000 6.581) 7.202 10.691 ( 7.769 0.000 -6.352) 10.035 10.799 ( 26.289 0.000 -0.466) 26.293 10.908 ( -12.440 0.000 1.172) 12.495 11.297 ( -22.549 0.000 -1.283) 22.586 11.768 ( 12.420 0.000 -5.398) 13.543 12.019 ( -11.397 0.000 -7.433) 13.607 12.962 ( 30.928 0.000 -21.769) 37.821 13.515 ( 15.693 0.000 11.108) 19.227 13.616 ( -33.352 0.000 -22.906) 40.460 13.806 ( -12.796 0.000 10.530) 16.571 14.649 ( 44.653 0.000 22.303) 49.913 14.852 ( 4.281 0.000 3.182) 5.334 14.922 ( -1.877 0.000 3.369) 3.857 15.305 ( 39.445 0.000 13.929) 41.832 15.487 ( -37.228 0.000 17.449) 41.114 16.085 ( -35.589 0.000 11.410) 37.373 16.345 ( 5.424 0.000 1.146) 5.544 16.451 ( -4.893 0.000 0.401) 4.909 18.973 ( 8.470 0.000 -9.562) 12.774 19.155 ( -9.280 0.000 -7.190) 11.740 19.580 ( 16.665 0.000 -2.386) 16.835 19.878 ( -12.821 0.000 -3.235) 13.223 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 20.047 15.855) 25.559 0.950 ( 0.000 24.159 18.126) 30.202 1.882 ( 0.000 43.190 39.733) 58.686 2.320 ( 0.000 -3.466 6.705) 7.548 2.607 ( 0.000 1.795 1.994) 2.683 2.908 ( 0.000 -1.904 -11.669) 11.823 3.366 ( 0.000 4.981 -1.472) 5.194 3.527 ( 0.000 -1.674 -4.125) 4.452 3.915 ( 0.000 -7.399 -6.859) 10.089 3.973 ( 0.000 3.332 -2.422) 4.119 4.101 ( 0.000 -2.438 -1.818) 3.041 4.116 ( 0.000 -6.291 -0.451) 6.307 4.610 ( 0.000 -5.165 1.194) 5.301 4.776 ( 0.000 -6.836 4.745) 8.321 4.922 ( 0.000 8.401 2.293) 8.708 5.007 ( 0.000 10.829 2.325) 11.076 5.008 ( 0.000 14.880 3.823) 15.364 5.248 ( 0.000 0.108 16.559) 16.559 5.316 ( 0.000 -2.451 -15.273) 15.468 5.459 ( 0.000 -2.393 1.484) 2.816 5.784 ( 0.000 11.134 5.280) 12.323 6.758 ( 0.000 -13.224 2.278) 13.419 6.843 ( 0.000 -8.649 -8.317) 11.999 7.350 ( 0.000 -1.579 3.456) 3.800 7.434 ( 0.000 -2.436 -8.189) 8.544 7.706 ( 0.000 4.897 8.310) 9.645 7.797 ( 0.000 5.805 2.165) 6.196 8.141 ( 0.000 -13.923 -5.634) 15.020 8.174 ( 0.000 -0.738 0.116) 0.747 8.374 ( 0.000 1.650 -5.446) 5.691 8.425 ( 0.000 0.063 -5.412) 5.413 8.560 ( 0.000 0.066 -11.124) 11.124 8.662 ( 0.000 -8.752 7.246) 11.363 8.951 ( 0.000 -9.978 -5.735) 11.508 9.061 ( 0.000 -1.052 13.780) 13.820 9.711 ( 0.000 -0.864 -0.955) 1.288 9.727 ( 0.000 10.512 -13.577) 17.171 9.774 ( 0.000 1.405 5.513) 5.689 9.934 ( 0.000 9.529 -2.552) 9.865 10.173 ( 0.000 -2.032 -5.458) 5.824 11.633 ( 0.000 -3.299 -14.278) 14.654 11.662 ( 0.000 -3.221 -7.382) 8.054 11.846 ( 0.000 4.598 9.788) 10.814 12.003 ( 0.000 7.696 1.570) 7.855 12.014 ( 0.000 24.059 7.756) 25.278 12.329 ( 0.000 -0.399 12.843) 12.849 12.446 ( 0.000 7.336 -8.199) 11.002 13.241 ( 0.000 4.278 26.451) 26.795 14.571 ( 0.000 -10.413 6.649) 12.355 14.975 ( 0.000 -2.222 3.429) 4.086 15.254 ( 0.000 -23.877 28.477) 37.162 15.648 ( 0.000 -26.580 1.355) 26.615 16.176 ( 0.000 1.449 -8.665) 8.785 16.312 ( 0.000 -0.955 -8.323) 8.378 16.458 ( 0.000 3.185 -33.115) 33.268 16.947 ( 0.000 5.666 -23.841) 24.505 18.402 ( 0.000 4.001 27.838) 28.124 19.054 ( 0.000 -9.831 14.880) 17.834 19.762 ( 0.000 10.934 -1.806) 11.082 20.356 ( 0.000 -0.380 -1.796) 1.836 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 19.747 12.261 13.985) 27.126 1.166 ( 16.294 19.070 15.615) 29.546 2.118 ( 17.918 31.574 31.563) 48.106 2.391 ( 10.556 -1.472 5.206) 11.862 2.611 ( 0.492 0.581 2.103) 2.237 2.943 ( 3.254 -1.897 -11.596) 12.192 3.306 ( -4.858 5.017 -2.315) 7.358 3.517 ( -2.645 -3.284 -3.884) 5.733 3.874 ( -3.622 -4.233 -5.086) 7.543 3.946 ( -5.390 -4.172 -3.839) 7.823 4.028 ( -4.043 0.521 -2.675) 4.876 4.089 ( -4.511 -3.047 -0.639) 5.482 4.619 ( 3.981 -5.778 -3.083) 7.664 4.852 ( 6.083 0.507 -2.487) 6.591 4.944 ( 1.108 5.235 0.895) 5.426 5.064 ( 5.142 11.898 -0.549) 12.974 5.120 ( 11.572 13.198 3.148) 17.832 5.377 ( 12.898 0.340 12.091) 17.682 5.462 ( 9.901 -9.572 4.213) 14.402 5.525 ( 6.778 0.448 2.094) 7.108 5.810 ( 4.139 7.361 8.894) 12.265 6.634 ( -7.220 -11.656 -4.203) 14.341 6.881 ( 0.204 -8.303 -2.488) 8.670 7.361 ( 2.861 -1.086 -1.744) 3.522 7.524 ( 3.540 -6.043 -1.112) 7.092 7.694 ( -0.025 3.752 5.212) 6.422 7.884 ( 6.405 3.550 1.962) 7.581 8.129 ( 1.909 -4.722 2.086) 5.504 8.238 ( -1.841 -4.654 -3.577) 6.151 8.262 ( -1.363 3.059 -6.875) 7.647 8.431 ( -4.648 -1.261 -8.220) 9.527 8.542 ( 2.428 1.196 -3.971) 4.805 8.900 ( -2.660 -12.107 -4.204) 13.089 9.019 ( 21.950 -13.259 -2.049) 25.726 9.075 ( 3.064 1.749 11.051) 11.600 9.689 ( -3.025 5.086 -6.545) 8.824 9.717 ( -0.648 1.896 -2.544) 3.238 9.782 ( 0.543 1.102 5.516) 5.651 9.832 ( -5.158 7.362 -3.920) 9.807 10.342 ( 12.366 1.969 -7.948) 14.831 11.432 ( -11.652 2.525 -6.607) 13.631 11.705 ( -1.299 0.993 -3.219) 3.611 11.896 ( 7.704 3.012 -10.038) 13.007 11.953 ( -2.404 5.476 -4.139) 7.273 12.293 ( 15.479 11.456 18.179) 26.482 12.433 ( 4.938 9.738 -9.930) 14.759 12.557 ( 18.950 2.077 16.374) 25.130 13.306 ( 7.231 3.289 27.238) 28.373 14.583 ( 0.901 -9.428 7.131) 11.855 14.647 ( -21.461 2.996 21.624) 30.612 15.206 ( -3.962 -8.672 7.806) 12.322 15.606 ( -11.456 -12.724 -11.018) 20.361 15.826 ( -14.074 -10.064 -5.593) 18.184 16.355 ( 0.186 -14.547 -5.616) 15.595 16.619 ( 4.624 1.982 -15.061) 15.878 17.070 ( 5.686 -0.099 -17.065) 17.987 18.523 ( 11.638 3.532 20.696) 24.005 18.951 ( -6.504 -0.502 8.188) 10.469 19.728 ( -3.350 11.053 -2.136) 11.745 20.329 ( -2.766 -0.416 -1.986) 3.431 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 19.678 12.535 9.121) 25.051 1.531 ( 22.031 2.800 12.125) 25.302 2.330 ( 6.524 7.394 13.574) 16.778 2.600 ( 0.791 -3.117 1.224) 3.441 2.875 ( 26.234 4.747 8.263) 27.912 3.023 ( 3.936 -1.728 -11.087) 11.891 3.214 ( -3.844 2.683 -4.358) 6.400 3.394 ( -8.915 -4.430 -2.124) 10.179 3.717 ( -9.476 -6.505 -0.953) 11.533 3.830 ( -7.556 0.440 2.547) 7.985 3.926 ( -7.146 -1.259 -5.791) 9.284 3.965 ( -4.504 -1.878 -5.605) 7.431 4.751 ( 7.559 -2.274 -8.478) 11.584 4.879 ( -1.253 8.454 -5.587) 10.211 5.046 ( 8.162 4.745 1.736) 9.599 5.286 ( 14.090 2.076 -0.258) 14.244 5.408 ( 16.002 9.126 1.299) 18.468 5.632 ( 8.342 13.281 2.447) 15.873 5.665 ( 10.731 -5.803 16.158) 20.246 5.714 ( 13.905 -1.192 6.397) 15.352 6.064 ( 20.851 -2.697 14.167) 25.352 6.520 ( -3.836 -10.980 -4.785) 12.577 6.829 ( -5.610 -3.524 -1.635) 6.823 7.441 ( 4.013 -3.833 -5.773) 8.007 7.521 ( -3.097 -2.862 2.708) 5.011 7.680 ( -3.612 1.822 -7.293) 8.340 7.933 ( -1.487 -2.197 -2.862) 3.903 8.135 ( -5.962 -3.700 -3.781) 7.971 8.179 ( 4.123 -5.545 10.765) 12.792 8.302 ( -4.248 -6.670 -3.867) 8.802 8.380 ( 5.012 9.491 -2.446) 11.008 8.624 ( 6.086 5.503 -0.119) 8.206 8.773 ( -7.622 -12.605 0.311) 14.734 9.142 ( 4.981 0.406 7.848) 9.304 9.443 ( 9.830 -1.142 -6.090) 11.620 9.622 ( -0.172 2.998 2.101) 3.665 9.739 ( 0.327 3.978 -6.376) 7.522 9.759 ( 2.519 -1.188 0.800) 2.898 9.825 ( 5.709 4.143 5.959) 9.234 10.579 ( 9.250 4.313 -13.829) 17.188 11.240 ( -5.904 4.044 3.394) 7.920 11.618 ( -7.463 -0.900 -7.874) 10.886 11.904 ( -5.485 -5.005 -12.102) 14.198 12.106 ( 14.330 10.466 -9.185) 19.982 12.292 ( -3.978 5.411 -9.200) 11.391 12.956 ( 35.397 8.955 25.280) 44.410 12.977 ( 19.984 8.403 12.337) 24.943 13.615 ( 25.310 -2.076 24.079) 34.996 14.295 ( -12.997 5.802 18.295) 23.180 14.627 ( 2.925 -9.446 6.301) 11.726 15.078 ( -22.750 2.165 -12.357) 25.980 15.122 ( -12.978 0.972 -7.109) 14.830 15.811 ( 4.422 -26.809 4.021) 27.467 16.324 ( -3.002 -20.782 -3.433) 21.277 16.547 ( -11.573 2.274 0.006) 11.795 17.026 ( -10.416 -3.685 -1.592) 11.163 18.837 ( 17.531 2.577 7.606) 19.283 18.890 ( 1.577 7.063 -3.201) 7.914 19.630 ( -6.249 11.348 -3.090) 13.318 20.243 ( -5.716 -0.486 -2.477) 6.248 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 17.161 6.112 3.844) 18.618 1.988 ( 20.555 -3.515 8.991) 22.709 2.476 ( 7.887 5.896 7.095) 12.137 2.618 ( 1.069 -5.677 0.778) 5.829 3.034 ( -5.262 0.274 -6.810) 8.610 3.137 ( -2.206 -7.668 -4.874) 9.349 3.208 ( 0.677 -8.835 -4.857) 10.105 3.216 ( -3.104 -3.440 2.405) 5.221 3.599 ( -2.627 -6.225 2.205) 7.107 3.646 ( -9.118 2.375 0.667) 9.446 3.762 ( -6.823 -1.738 -0.274) 7.047 3.912 ( -2.693 -2.560 -9.257) 9.975 4.851 ( 3.432 10.773 1.756) 11.442 5.026 ( 13.746 4.415 -9.624) 17.351 5.147 ( 3.778 11.107 -0.310) 11.736 5.562 ( 13.826 -0.697 -6.144) 15.145 5.736 ( 14.508 3.296 4.768) 15.623 5.819 ( 10.501 8.079 3.774) 13.776 5.906 ( 13.090 -1.611 16.279) 20.951 5.985 ( 10.404 2.220 10.626) 15.036 6.426 ( 1.983 -8.679 -1.245) 8.989 6.554 ( 16.327 -4.121 3.864) 17.276 6.645 ( -12.365 3.437 -2.003) 12.989 7.339 ( -12.848 1.417 -16.019) 20.584 7.535 ( 3.929 -5.148 -4.559) 7.920 7.617 ( -0.139 -3.187 -1.569) 3.555 7.867 ( -6.366 -1.143 -5.072) 8.220 8.024 ( -3.923 -4.181 3.118) 6.526 8.171 ( -3.346 -9.847 7.898) 13.059 8.306 ( 2.994 -5.111 7.177) 9.306 8.415 ( -1.280 0.541 2.535) 2.890 8.606 ( -7.519 -11.955 3.936) 14.661 8.815 ( 10.537 13.068 1.060) 16.820 9.235 ( 2.134 6.866 -2.682) 7.673 9.463 ( 0.449 3.105 6.280) 7.020 9.634 ( -0.021 1.153 -0.171) 1.166 9.688 ( -2.156 3.117 -1.524) 4.084 9.802 ( 0.695 10.950 4.136) 11.726 10.233 ( 26.881 -3.371 -0.226) 27.093 10.672 ( 1.311 6.876 -15.111) 16.654 11.171 ( -5.672 5.061 8.216) 11.193 11.505 ( 1.097 -6.725 -8.334) 10.765 11.680 ( -15.956 -3.534 -5.885) 17.370 12.151 ( -7.956 -5.070 -9.817) 13.615 12.525 ( 23.668 15.041 -14.872) 31.742 13.322 ( 16.124 11.186 11.178) 22.585 13.774 ( 42.688 5.041 25.748) 50.107 13.993 ( -10.373 0.139 5.161) 11.587 14.303 ( 19.884 -3.164 11.832) 23.353 14.537 ( -11.599 11.881 -10.408) 19.596 14.706 ( 4.967 -7.621 6.865) 11.396 15.003 ( -4.633 -3.914 1.512) 6.251 15.923 ( 6.232 -26.078 3.243) 27.007 16.168 ( -25.438 2.894 9.994) 27.484 16.237 ( -5.919 -23.923 -2.955) 24.821 16.674 ( -23.400 -3.433 7.981) 24.961 18.963 ( 6.214 10.066 -8.689) 14.678 19.225 ( 18.881 1.244 0.468) 18.927 19.481 ( -8.265 11.646 -4.547) 14.987 20.095 ( -9.002 -0.476 -3.063) 9.521 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 14.038 -1.806 1.822) 14.271 2.287 ( 5.881 -6.939 6.603) 11.241 2.584 ( 1.545 5.027 -0.198) 5.263 2.628 ( -0.762 -1.093 -0.465) 1.411 2.932 ( 0.473 1.471 -3.146) 3.505 3.042 ( -7.180 2.430 -1.194) 7.673 3.149 ( 0.873 -14.803 -0.473) 14.836 3.208 ( -3.309 -16.811 -1.556) 17.205 3.511 ( -3.255 -0.021 -0.951) 3.391 3.524 ( -3.847 -3.348 -0.459) 5.120 3.727 ( 3.121 -5.894 -1.814) 6.912 3.827 ( -5.441 -4.143 -6.310) 9.305 4.935 ( 4.740 13.601 1.142) 14.449 5.037 ( -4.945 13.938 2.395) 14.982 5.523 ( 23.027 4.630 -9.104) 25.190 5.797 ( 2.427 -2.347 -0.170) 3.381 5.902 ( 6.276 1.382 0.760) 6.471 6.037 ( 4.243 6.878 4.883) 9.442 6.083 ( 3.699 3.611 3.616) 6.308 6.155 ( 8.871 0.326 11.979) 14.910 6.349 ( -9.774 -0.820 -0.629) 9.829 6.381 ( -7.424 0.485 7.084) 10.273 6.869 ( 11.654 -1.505 -8.131) 14.289 7.080 ( -11.276 0.824 -19.154) 22.242 7.623 ( 4.072 -6.350 -7.733) 10.803 7.668 ( 3.718 -3.355 0.187) 5.011 7.744 ( -2.424 -2.152 -0.860) 3.354 7.883 ( -9.619 -3.625 8.321) 13.225 8.192 ( 4.926 -8.492 10.421) 14.317 8.306 ( -4.443 -6.118 8.363) 11.275 8.399 ( 1.624 -5.758 5.513) 8.136 8.469 ( -5.359 -8.513 4.728) 11.115 9.022 ( 9.411 11.892 1.475) 15.237 9.183 ( -6.153 10.088 -0.964) 11.856 9.523 ( 3.837 2.438 1.153) 4.690 9.595 ( -3.240 0.804 -0.978) 3.478 9.714 ( 4.076 9.236 2.791) 10.474 9.790 ( -2.364 13.637 2.986) 14.159 10.730 ( 8.917 3.413 -7.771) 12.310 10.789 ( 24.444 -0.903 -1.231) 24.492 10.952 ( -12.852 4.835 0.480) 13.740 11.285 ( -22.455 -2.601 -2.965) 22.798 11.683 ( 12.740 -7.580 -4.555) 15.509 11.944 ( -12.160 -6.959 -6.175) 15.312 13.051 ( 27.452 9.873 -16.276) 33.407 13.579 ( -16.033 3.524 -7.177) 17.916 13.673 ( 7.114 10.832 3.896) 13.532 13.990 ( -17.712 12.723 0.297) 21.810 14.642 ( 32.504 -2.335 15.425) 36.054 14.809 ( 8.139 -3.757 8.191) 12.143 14.885 ( 4.484 -1.941 4.168) 6.422 15.241 ( 37.496 -6.160 11.782) 39.784 15.539 ( -35.587 4.460 16.873) 39.636 15.968 ( -27.885 -14.444 3.829) 31.637 16.057 ( 6.804 -23.958 2.512) 25.032 16.226 ( -12.883 -14.484 6.725) 20.517 19.117 ( 8.691 11.290 -8.365) 16.522 19.301 ( -9.194 11.684 -6.557) 16.249 19.585 ( 16.236 0.335 -2.582) 16.444 19.877 ( -12.624 -0.249 -3.354) 13.064 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 28.455 -4.168) 28.758 1.476 ( 0.000 22.913 9.385) 24.761 2.197 ( 0.000 -8.207 7.559) 11.157 2.441 ( 0.000 -15.923 -6.927) 17.365 2.792 ( 0.000 37.400 17.565) 41.319 3.058 ( 0.000 13.896 -3.733) 14.389 3.496 ( 0.000 -1.507 -7.078) 7.237 3.507 ( 0.000 7.337 -1.965) 7.595 3.815 ( 0.000 -1.883 -5.318) 5.641 3.905 ( 0.000 -10.353 2.205) 10.585 3.941 ( 0.000 -6.443 -2.553) 6.930 4.101 ( 0.000 1.730 2.240) 2.831 4.503 ( 0.000 -4.963 0.342) 4.975 4.611 ( 0.000 -7.982 4.859) 9.345 5.016 ( 0.000 -4.735 2.631) 5.416 5.091 ( 0.000 2.219 2.789) 3.564 5.159 ( 0.000 -1.853 18.958) 19.048 5.372 ( 0.000 -0.382 5.341) 5.355 5.464 ( 0.000 25.568 2.687) 25.708 5.537 ( 0.000 12.195 -14.402) 18.872 6.100 ( 0.000 6.735 -4.383) 8.036 6.475 ( 0.000 -1.342 8.117) 8.227 6.550 ( 0.000 -18.948 -4.733) 19.530 7.339 ( 0.000 0.656 -2.462) 2.547 7.351 ( 0.000 -7.889 -3.266) 8.539 7.584 ( 0.000 -19.564 1.147) 19.598 7.823 ( 0.000 5.544 9.203) 10.743 7.987 ( 0.000 -1.609 -1.800) 2.414 8.199 ( 0.000 3.308 0.851) 3.416 8.409 ( 0.000 0.525 -7.560) 7.578 8.429 ( 0.000 0.421 -7.538) 7.550 8.485 ( 0.000 -6.734 8.463) 10.815 8.562 ( 0.000 0.128 -6.078) 6.080 8.712 ( 0.000 -9.783 -3.109) 10.265 9.159 ( 0.000 8.303 6.246) 10.390 9.599 ( 0.000 -8.502 -1.241) 8.592 9.829 ( 0.000 2.357 -11.688) 11.924 9.846 ( 0.000 3.297 1.825) 3.768 10.106 ( 0.000 4.472 1.637) 4.762 10.129 ( 0.000 -1.382 -2.941) 3.249 11.572 ( 0.000 -1.911 -15.155) 15.275 11.596 ( 0.000 -2.576 -9.800) 10.133 11.979 ( 0.000 6.920 11.557) 13.471 12.197 ( 0.000 9.972 0.244) 9.975 12.229 ( 0.000 -3.539 18.397) 18.735 12.509 ( 0.000 0.539 -10.873) 10.886 12.811 ( 0.000 39.042 7.661) 39.786 13.456 ( 0.000 16.666 20.239) 26.218 14.246 ( 0.000 -19.607 8.467) 21.357 14.852 ( 0.000 -36.330 2.516) 36.417 14.946 ( 0.000 -8.516 6.650) 10.805 14.973 ( 0.000 -5.934 17.102) 18.102 16.209 ( 0.000 1.706 -8.378) 8.550 16.285 ( 0.000 -1.555 -8.338) 8.482 16.585 ( 0.000 7.871 -31.105) 32.086 16.925 ( 0.000 -5.468 -25.433) 26.014 18.523 ( 0.000 6.996 25.105) 26.061 18.867 ( 0.000 -8.247 19.027) 20.737 20.020 ( 0.000 11.630 -1.776) 11.765 20.328 ( 0.000 -2.700 -1.786) 3.237 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 8.268 23.717 0.048) 25.117 1.623 ( 10.979 21.118 7.602) 24.986 2.227 ( 2.845 -8.015 6.918) 10.963 2.457 ( 1.510 -14.570 -5.287) 15.573 2.853 ( 4.913 25.732 10.586) 28.255 3.044 ( -0.783 11.064 -3.369) 11.592 3.424 ( -6.053 1.297 -4.473) 7.638 3.481 ( -3.699 3.190 -2.454) 5.466 3.747 ( -7.853 -7.579 -0.096) 10.914 3.851 ( -0.117 0.457 -3.850) 3.879 3.961 ( -2.083 -8.058 0.308) 8.329 4.068 ( -4.195 0.451 -0.282) 4.228 4.532 ( 7.381 -0.712 3.897) 8.377 4.784 ( 12.481 -5.512 -5.815) 14.832 5.015 ( 3.958 1.601 0.193) 4.274 5.275 ( 12.718 -6.714 8.285) 16.597 5.322 ( 15.496 1.637 15.130) 21.719 5.424 ( -3.564 14.930 -1.637) 15.436 5.493 ( 6.729 3.761 1.282) 7.814 5.552 ( 8.627 15.539 3.926) 18.202 6.071 ( -2.156 4.592 -2.785) 5.787 6.331 ( -8.440 -9.545 1.835) 12.872 6.666 ( 6.467 -7.286 1.476) 9.853 7.343 ( 0.382 -6.414 -1.739) 6.656 7.380 ( 2.827 -3.254 -1.822) 4.680 7.633 ( 4.883 -15.056 0.077) 15.828 7.834 ( -0.184 2.853 7.757) 8.267 8.018 ( 1.418 -2.725 0.338) 3.090 8.258 ( -8.688 1.911 -3.913) 9.718 8.340 ( 1.950 1.532 -5.565) 6.093 8.411 ( 1.766 1.368 -7.451) 7.779 8.561 ( 5.877 0.281 -3.241) 6.717 8.675 ( -0.704 -7.091 0.654) 7.156 8.782 ( 19.409 -8.682 1.192) 21.296 9.177 ( 2.364 7.585 5.595) 9.717 9.601 ( 0.272 -8.272 -0.464) 8.289 9.773 ( -4.928 1.512 -8.252) 9.729 9.814 ( -3.284 0.601 -0.209) 3.345 10.028 ( 0.647 9.914 1.764) 10.090 10.349 ( 13.036 -2.226 -3.627) 13.713 11.490 ( -6.258 2.809 -13.890) 15.491 11.651 ( 2.894 -4.371 -11.969) 13.067 11.946 ( -6.935 5.099 -1.482) 8.734 12.093 ( 1.590 2.101 11.153) 11.460 12.495 ( 11.554 3.299 2.053) 12.190 12.623 ( 16.047 1.107 2.789) 16.325 12.892 ( 9.451 36.543 11.576) 39.481 13.497 ( 4.269 15.589 20.104) 25.796 14.267 ( 2.161 -18.899 8.313) 20.759 14.733 ( -12.387 2.907 11.179) 16.937 14.912 ( 3.366 -39.675 4.912) 40.120 15.015 ( -0.760 -9.025 8.554) 12.458 15.863 ( -24.798 5.582 -16.117) 30.098 16.128 ( -12.002 -7.595 -9.884) 17.304 16.707 ( 3.832 5.789 -15.373) 16.868 16.995 ( 2.385 -5.830 -15.451) 16.685 18.629 ( 10.195 6.032 18.402) 21.885 18.892 ( 2.827 -4.691 11.862) 13.066 19.988 ( -3.122 11.729 -2.050) 12.310 20.299 ( -2.851 -2.750 -1.993) 4.434 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 13.785 13.496 4.092) 19.721 1.845 ( 10.797 18.105 7.507) 22.377 2.311 ( 5.412 -8.494 2.776) 10.447 2.488 ( 1.255 -8.944 1.293) 9.124 2.914 ( 0.777 1.068 -5.296) 5.459 3.042 ( -1.220 0.724 -3.083) 3.394 3.253 ( -9.927 -0.473 -1.297) 10.023 3.375 ( -6.012 1.879 0.625) 6.330 3.576 ( -8.023 -3.518 2.887) 9.224 3.834 ( -5.227 -3.281 -3.526) 7.107 3.882 ( -4.133 -0.073 2.412) 4.786 3.940 ( -6.194 0.348 -6.713) 9.141 4.786 ( 16.792 6.453 -3.599) 18.346 5.024 ( 7.747 1.611 -10.761) 13.357 5.152 ( 10.159 7.445 1.432) 12.676 5.395 ( 5.144 8.178 2.174) 9.903 5.555 ( 14.063 -4.179 10.877) 18.263 5.671 ( 9.511 12.537 2.550) 15.942 5.710 ( 19.002 3.543 11.234) 22.357 5.860 ( 19.333 -1.589 11.165) 22.382 6.052 ( 1.744 1.802 2.564) 3.587 6.198 ( -3.435 -14.809 0.827) 15.225 6.782 ( 4.600 2.663 2.401) 5.832 7.364 ( 1.957 -8.038 -0.361) 8.281 7.447 ( 2.980 0.080 -3.840) 4.862 7.736 ( -10.571 1.339 -5.204) 11.858 7.756 ( 5.865 -12.136 -1.443) 13.556 7.993 ( -4.640 -4.907 -4.742) 8.252 8.095 ( -6.843 -2.713 2.809) 7.879 8.187 ( -5.602 -4.500 -2.524) 7.616 8.501 ( -1.834 1.864 4.980) 5.625 8.573 ( -6.182 -4.876 3.661) 8.683 8.851 ( 19.103 12.975 -2.984) 23.285 9.152 ( 9.721 0.408 2.947) 10.166 9.379 ( 18.798 -2.860 -3.174) 19.278 9.614 ( 0.345 -5.234 -0.623) 5.282 9.684 ( 0.878 -2.397 -0.357) 2.578 9.744 ( -3.172 -1.750 -1.404) 3.885 10.094 ( 4.859 16.418 1.845) 17.221 10.625 ( 13.776 -2.475 -6.597) 15.474 11.342 ( -7.744 5.499 -9.978) 13.775 11.641 ( -5.430 -1.352 -9.446) 10.979 11.760 ( -10.184 -0.826 -6.971) 12.369 12.111 ( -2.832 -7.068 -1.291) 7.723 12.708 ( 13.369 23.943 -4.747) 27.830 13.123 ( 27.957 4.279 9.921) 29.972 13.263 ( 27.929 18.266 18.982) 38.393 13.652 ( 12.207 8.866 19.177) 24.400 14.331 ( 3.162 -14.816 7.142) 16.749 14.473 ( -11.274 7.854 12.162) 18.349 14.940 ( -6.387 -9.944 5.449) 13.014 15.019 ( 6.439 -36.742 2.701) 37.400 15.352 ( -23.743 7.593 -15.099) 29.144 15.895 ( -10.786 -17.308 -9.148) 22.351 16.635 ( -11.077 5.568 -0.108) 12.398 16.916 ( -10.820 -6.263 -1.143) 12.554 18.906 ( 16.228 3.667 6.562) 17.884 18.991 ( 6.938 1.760 0.446) 7.172 19.895 ( -5.960 11.935 -2.832) 13.638 20.212 ( -5.775 -2.840 -2.543) 6.920 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 12.300 5.758 6.280) 14.963 2.058 ( 9.631 10.367 7.214) 15.883 2.411 ( 3.342 -11.250 -0.869) 11.768 2.561 ( 7.984 -2.398 4.506) 9.476 2.871 ( -7.703 -9.905 -4.899) 13.470 2.947 ( -4.276 -7.160 -6.719) 10.710 3.099 ( -5.444 -0.074 1.836) 5.745 3.250 ( -6.464 -1.291 1.361) 6.730 3.445 ( -3.924 -2.521 0.803) 4.733 3.679 ( -7.979 -5.375 -1.690) 9.768 3.714 ( -9.960 3.197 -2.092) 10.668 3.863 ( -4.938 -2.489 -8.961) 10.530 5.108 ( 5.322 9.285 -8.615) 13.739 5.185 ( 18.626 10.313 -3.621) 21.596 5.403 ( 8.409 12.088 4.811) 15.492 5.552 ( 12.189 0.837 -3.338) 12.666 5.778 ( 6.376 -0.822 8.071) 10.318 5.889 ( 12.515 3.732 6.140) 14.431 6.009 ( 6.820 5.464 3.534) 9.426 6.065 ( 10.822 4.088 12.540) 17.061 6.212 ( 3.313 -11.078 2.624) 11.857 6.368 ( 21.962 -12.165 8.298) 26.442 6.817 ( -2.808 13.596 1.516) 13.966 7.368 ( -10.116 1.736 -13.436) 16.908 7.451 ( -0.740 -4.055 -7.071) 8.185 7.529 ( -0.713 -5.539 -2.759) 6.229 7.789 ( -7.095 -6.109 -12.266) 15.431 7.864 ( -2.566 -9.353 -2.960) 10.140 8.015 ( -0.238 -1.898 9.871) 10.055 8.171 ( 1.779 -6.937 11.061) 13.177 8.384 ( -8.326 -1.402 8.981) 12.326 8.452 ( -5.752 -3.568 8.115) 10.568 9.118 ( 7.202 13.014 2.719) 15.121 9.372 ( 8.741 5.686 -4.332) 11.291 9.490 ( -1.890 0.121 1.171) 2.226 9.625 ( 0.166 -1.811 -1.984) 2.691 9.708 ( 5.884 1.138 1.746) 6.242 10.077 ( 27.680 -8.984 -2.993) 29.255 10.198 ( 4.770 20.674 1.278) 21.256 10.862 ( 7.609 6.162 -11.548) 15.140 11.227 ( -1.691 -4.633 -2.574) 5.563 11.430 ( -13.874 6.808 -1.948) 15.577 11.541 ( -11.736 -7.979 -10.785) 17.825 11.971 ( -10.197 -11.213 -4.082) 15.696 13.039 ( 18.475 30.346 -8.756) 36.590 13.614 ( 18.277 14.393 6.124) 24.056 13.920 ( 32.506 7.663 21.269) 39.595 14.024 ( 15.351 -2.211 5.546) 16.471 14.237 ( 1.660 0.918 9.016) 9.214 14.504 ( 9.541 -7.924 12.024) 17.274 14.745 ( -10.822 -1.597 -0.541) 10.952 14.940 ( -12.118 5.569 -7.942) 15.522 15.216 ( 9.717 -35.921 5.583) 37.629 15.683 ( -10.614 -24.868 -8.342) 28.296 16.273 ( -24.251 6.207 10.109) 26.997 16.566 ( -23.249 -6.254 8.583) 25.560 19.157 ( 9.574 6.923 -5.327) 12.960 19.253 ( 17.036 0.978 -0.622) 17.075 19.751 ( -8.253 11.985 -3.998) 15.091 20.065 ( -8.831 -2.776 -3.244) 9.809 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 5.895 2.229 6.222) 8.857 2.191 ( 2.672 -0.492 7.537) 8.012 2.495 ( 6.313 -11.527 -0.540) 13.153 2.666 ( -9.501 -6.763 -3.550) 12.191 2.782 ( 10.696 -6.432 1.683) 12.594 2.903 ( -1.273 -3.926 -0.015) 4.128 3.003 ( -2.596 -0.997 3.813) 4.720 3.091 ( -9.148 -0.700 -0.264) 9.178 3.437 ( 1.729 -2.153 -2.517) 3.736 3.524 ( -7.343 2.010 -3.582) 8.414 3.603 ( 1.987 -6.009 -4.921) 8.017 3.726 ( -7.804 -5.291 -8.255) 12.532 5.223 ( 6.167 12.288 -2.360) 13.950 5.334 ( -3.648 12.639 1.887) 13.290 5.581 ( 11.131 -1.291 -5.931) 12.679 5.727 ( -2.271 -4.837 1.328) 5.506 5.994 ( 17.300 6.842 0.108) 18.604 6.102 ( 9.063 0.336 3.465) 9.709 6.173 ( 0.462 2.497 11.628) 11.902 6.209 ( 4.729 2.931 8.882) 10.480 6.272 ( 6.382 1.082 6.288) 9.024 6.600 ( -17.198 15.704 0.238) 23.291 6.769 ( 16.469 -8.624 -3.914) 18.999 7.073 ( -14.468 -2.113 -15.945) 21.634 7.505 ( 4.049 -3.514 -9.794) 11.166 7.572 ( 0.526 -4.999 -7.089) 8.691 7.668 ( -0.818 -3.907 -2.340) 4.627 7.768 ( -6.795 -6.840 1.613) 9.775 8.079 ( 5.488 -1.732 14.460) 15.563 8.213 ( -6.430 -1.683 12.899) 14.511 8.233 ( 2.663 -7.642 9.224) 12.271 8.332 ( -5.769 -5.191 8.197) 11.288 9.239 ( 5.640 8.401 3.302) 10.644 9.351 ( -5.160 6.295 0.747) 8.174 9.520 ( 2.367 -3.235 1.278) 4.207 9.573 ( -3.056 -3.071 -0.419) 4.353 9.994 ( 15.721 16.074 -3.258) 22.719 10.213 ( -4.570 23.285 -2.094) 23.821 10.635 ( 25.851 -10.179 -5.177) 28.261 10.939 ( 3.615 11.865 -8.022) 14.772 11.112 ( -17.783 -9.769 -5.528) 21.029 11.137 ( -11.829 7.762 0.586) 14.160 11.476 ( 9.631 -10.887 -4.408) 15.189 11.729 ( -13.148 -12.620 -3.950) 18.647 13.426 ( 19.305 24.422 -7.284) 31.971 13.782 ( -12.874 15.437 -2.060) 20.206 13.970 ( 11.002 15.077 3.481) 18.986 14.252 ( -13.443 9.052 0.226) 16.208 14.485 ( 14.972 -11.476 2.986) 19.099 14.695 ( -5.542 -5.294 3.263) 8.330 14.902 ( 28.424 -0.523 8.916) 29.794 15.001 ( 25.366 -15.617 4.229) 30.086 15.447 ( -9.628 -26.810 -4.055) 28.774 15.482 ( 13.065 -19.824 10.506) 25.963 15.692 ( -29.760 5.120 16.390) 34.359 16.014 ( -29.706 -7.771 15.036) 34.189 19.361 ( 10.343 10.012 -6.295) 15.711 19.562 ( -4.685 9.191 -5.389) 11.639 19.585 ( 9.908 1.258 -3.295) 10.517 19.854 ( -11.993 -2.279 -3.734) 12.766 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 -1.945 -0.846) 2.121 1.841 ( 0.000 1.945 -0.846) 2.121 2.059 ( 0.000 -10.287 0.040) 10.287 2.059 ( 0.000 10.287 0.040) 10.287 3.277 ( 0.000 -3.785 -8.150) 8.986 3.277 ( 0.000 3.785 -8.150) 8.986 3.509 ( 0.000 -7.455 0.568) 7.477 3.509 ( 0.000 7.455 0.568) 7.477 3.781 ( 0.000 -6.886 -0.577) 6.910 3.781 ( 0.000 6.886 -0.577) 6.910 4.001 ( 0.000 -11.860 3.810) 12.457 4.001 ( 0.000 11.860 3.810) 12.457 4.467 ( 0.000 -3.757 8.043) 8.877 4.467 ( 0.000 3.757 8.043) 8.877 4.981 ( 0.000 -2.788 5.192) 5.893 4.981 ( 0.000 2.788 5.192) 5.893 5.286 ( 0.000 -6.266 5.159) 8.116 5.286 ( 0.000 6.266 5.159) 8.116 5.858 ( 0.000 -16.294 -5.098) 17.073 5.858 ( 0.000 16.294 -5.098) 17.073 6.047 ( 0.000 -26.779 -0.775) 26.791 6.047 ( 0.000 26.779 -0.775) 26.791 6.905 ( 0.000 -27.526 5.786) 28.127 6.905 ( 0.000 27.526 5.786) 28.127 7.380 ( 0.000 -3.333 -7.265) 7.993 7.380 ( 0.000 3.333 -7.265) 7.993 7.929 ( 0.000 -4.042 6.393) 7.563 7.929 ( 0.000 4.042 6.393) 7.563 8.308 ( 0.000 -6.418 3.210) 7.176 8.308 ( 0.000 6.418 3.210) 7.176 8.444 ( 0.000 -0.625 -8.722) 8.744 8.444 ( 0.000 0.625 -8.722) 8.744 8.580 ( 0.000 -2.505 -1.564) 2.953 8.580 ( 0.000 2.505 -1.564) 2.953 9.378 ( 0.000 -11.208 0.999) 11.253 9.378 ( 0.000 11.208 0.999) 11.253 9.869 ( 0.000 -1.080 -6.554) 6.642 9.869 ( 0.000 1.080 -6.554) 6.642 10.131 ( 0.000 -0.912 2.316) 2.489 10.131 ( 0.000 0.912 2.316) 2.489 11.559 ( 0.000 -0.692 -13.503) 13.520 11.559 ( 0.000 0.692 -13.503) 13.520 12.121 ( 0.000 -6.045 15.909) 17.019 12.121 ( 0.000 6.045 15.909) 17.019 12.404 ( 0.000 -8.436 -3.943) 9.312 12.404 ( 0.000 8.436 -3.943) 9.312 13.694 ( 0.000 -35.846 8.887) 36.931 13.694 ( 0.000 35.846 8.887) 36.931 13.966 ( 0.000 -33.788 9.276) 35.038 13.966 ( 0.000 33.788 9.276) 35.038 14.914 ( 0.000 -0.421 9.183) 9.192 14.914 ( 0.000 0.421 9.183) 9.192 16.248 ( 0.000 -1.845 -8.311) 8.513 16.248 ( 0.000 1.845 -8.311) 8.513 16.767 ( 0.000 -8.530 -27.698) 28.982 16.767 ( 0.000 8.530 -27.698) 28.982 18.690 ( 0.000 -8.229 21.893) 23.388 18.690 ( 0.000 8.229 21.893) 23.388 20.225 ( 0.000 -7.160 -1.781) 7.378 20.225 ( 0.000 7.160 -1.781) 7.378 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 5.523 -11.533 0.132) 12.788 1.908 ( 5.523 11.533 0.132) 12.788 2.098 ( 4.139 -12.737 0.226) 13.394 2.098 ( 4.139 12.737 0.226) 13.394 3.179 ( -8.524 -5.382 -6.878) 12.204 3.179 ( -8.524 5.382 -6.878) 12.204 3.451 ( -5.560 -6.011 1.264) 8.285 3.451 ( -5.560 6.011 1.264) 8.285 3.762 ( -2.454 -8.607 0.048) 8.950 3.762 ( -2.454 8.607 0.048) 8.950 3.988 ( -1.290 -7.693 1.776) 8.000 3.988 ( -1.290 7.693 1.776) 8.000 4.627 ( 14.065 -8.227 0.901) 16.319 4.627 ( 14.065 8.227 0.901) 16.319 5.087 ( 10.767 -6.693 7.018) 14.491 5.087 ( 10.767 6.693 7.018) 14.491 5.411 ( 11.308 -5.004 6.559) 13.998 5.411 ( 11.308 5.004 6.559) 13.998 5.787 ( -4.827 -17.528 -1.320) 18.228 5.787 ( -4.827 17.528 -1.320) 18.228 6.045 ( -0.508 -22.024 -0.643) 22.039 6.045 ( -0.508 22.024 -0.643) 22.039 6.939 ( 3.523 -24.302 5.767) 25.224 6.939 ( 3.523 24.302 5.767) 25.224 7.424 ( 4.310 -4.446 -6.693) 9.118 7.424 ( 4.310 4.446 -6.693) 9.118 7.935 ( -0.767 -4.951 7.724) 9.207 7.935 ( -0.767 4.951 7.724) 9.207 8.302 ( -10.171 -2.515 -8.757) 13.655 8.302 ( -10.171 2.515 -8.757) 13.655 8.504 ( 11.432 -4.906 -2.214) 12.636 8.504 ( 11.432 4.906 -2.214) 12.636 8.649 ( 9.774 -3.461 1.316) 10.452 8.649 ( 9.774 3.461 1.316) 10.452 9.385 ( 0.765 -10.924 1.517) 11.055 9.385 ( 0.765 10.924 1.517) 11.055 9.802 ( -5.081 -1.247 -4.775) 7.083 9.802 ( -5.081 1.247 -4.775) 7.083 10.232 ( 8.466 -8.266 0.773) 11.858 10.232 ( 8.466 8.266 0.773) 11.858 11.560 ( -0.792 -3.837 -15.895) 16.370 11.560 ( -0.792 3.837 -15.895) 16.370 12.061 ( -5.242 -4.401 7.620) 10.242 12.061 ( -5.242 4.401 7.620) 10.242 12.575 ( 16.568 -4.129 4.951) 17.778 12.575 ( 16.568 4.129 4.951) 17.778 13.707 ( 1.505 -29.597 9.894) 31.243 13.707 ( 1.505 29.597 9.894) 31.243 14.033 ( 6.518 -30.082 8.647) 31.971 14.033 ( 6.518 30.082 8.647) 31.971 14.857 ( -5.543 -6.165 9.027) 12.256 14.857 ( -5.543 6.165 9.027) 12.256 15.989 ( -19.678 -5.997 -13.253) 24.471 15.989 ( -19.678 5.997 -13.253) 24.471 16.850 ( 2.675 -7.167 -15.332) 17.134 16.850 ( 2.675 7.167 -15.332) 17.134 18.768 ( 7.567 -6.528 15.351) 18.317 18.768 ( 7.567 6.528 15.351) 18.317 20.195 ( -2.963 -7.229 -2.013) 8.068 20.195 ( -2.963 7.229 -2.013) 8.068 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 6.159 -15.483 0.298) 16.666 2.027 ( 6.159 15.483 0.298) 16.666 2.219 ( 6.925 -14.955 3.735) 16.898 2.219 ( 6.925 14.955 3.735) 16.898 2.984 ( -9.554 -4.411 -7.004) 12.640 2.984 ( -9.554 4.411 -7.004) 12.640 3.300 ( -8.633 -5.142 3.133) 10.525 3.300 ( -8.633 5.142 3.133) 10.525 3.674 ( -6.061 -8.654 0.279) 10.569 3.674 ( -6.061 8.654 0.279) 10.569 3.933 ( -4.733 -1.653 -3.254) 5.976 3.933 ( -4.733 1.653 -3.254) 5.976 4.954 ( 16.763 -6.711 -10.123) 20.700 4.954 ( 16.763 6.711 -10.123) 20.700 5.386 ( 16.080 -11.396 10.174) 22.179 5.386 ( 16.080 11.396 10.174) 22.179 5.624 ( 7.459 -12.372 5.293) 15.386 5.624 ( 7.459 12.372 5.293) 15.386 5.831 ( 12.509 -8.504 9.638) 17.935 5.831 ( 12.509 8.504 9.638) 17.935 6.021 ( -1.343 -12.425 0.029) 12.498 6.021 ( -1.343 12.425 0.029) 12.498 7.052 ( 7.372 -18.628 4.878) 20.619 7.052 ( 7.372 18.628 4.878) 20.619 7.518 ( 3.084 -6.239 -6.499) 9.522 7.518 ( 3.084 6.239 -6.499) 9.522 7.852 ( -7.972 -6.674 -3.137) 10.860 7.852 ( -7.972 6.674 -3.137) 10.860 8.108 ( -6.688 -2.734 -0.998) 7.294 8.108 ( -6.688 2.734 -0.998) 7.294 8.521 ( -4.420 -0.881 6.072) 7.562 8.521 ( -4.420 0.881 6.072) 7.562 9.087 ( 23.913 -7.587 -3.439) 25.322 9.087 ( 23.913 7.587 -3.439) 25.322 9.430 ( 5.493 -8.110 1.369) 9.891 9.430 ( 5.493 8.110 1.369) 9.891 9.699 ( -4.592 -2.019 -2.241) 5.494 9.699 ( -4.592 2.019 -2.241) 5.494 10.436 ( 11.269 -13.988 -0.395) 17.967 10.436 ( 11.269 13.988 -0.395) 17.967 11.492 ( -6.264 -8.200 -17.120) 19.989 11.492 ( -6.264 8.200 -17.120) 19.989 11.917 ( -9.061 -10.073 2.304) 13.743 11.917 ( -9.061 10.073 2.304) 13.743 13.055 ( 29.802 -9.185 5.982) 31.754 13.055 ( 29.802 9.185 5.982) 31.754 13.768 ( 4.809 -18.227 11.353) 22.005 13.768 ( 4.809 18.227 11.353) 22.005 14.225 ( 12.475 -25.272 9.135) 29.626 14.225 ( 12.475 25.272 9.135) 29.626 14.702 ( -9.275 -11.301 8.485) 16.903 14.702 ( -9.275 11.301 8.485) 16.903 15.585 ( -19.114 -12.317 -13.985) 26.696 15.585 ( -19.114 12.317 -13.985) 26.696 16.772 ( -10.871 -6.861 -0.654) 12.871 16.772 ( -10.871 6.861 -0.654) 12.871 18.977 ( 12.539 -2.484 4.059) 13.412 18.977 ( 12.539 2.484 4.059) 13.412 20.106 ( -5.836 -7.346 -2.655) 9.751 20.106 ( -5.836 7.346 -2.655) 9.751 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 5.840 -11.260 0.824) 12.712 2.154 ( 5.840 11.260 0.824) 12.712 2.335 ( 3.794 -14.285 7.983) 16.798 2.335 ( 3.794 14.285 7.983) 16.798 2.837 ( -4.242 -3.635 -5.177) 7.617 2.837 ( -4.242 3.635 -5.177) 7.617 3.143 ( -6.039 -4.648 1.733) 7.815 3.143 ( -6.039 4.648 1.733) 7.815 3.534 ( -6.800 -7.121 -0.897) 9.887 3.534 ( -6.800 7.121 -0.897) 9.887 3.795 ( -8.558 -3.785 -6.775) 11.553 3.795 ( -8.558 3.785 -6.775) 11.553 5.253 ( 12.051 -4.030 -10.614) 16.557 5.253 ( 12.051 4.030 -10.614) 16.557 5.592 ( 4.501 -3.454 6.640) 8.734 5.592 ( 4.501 3.454 6.640) 8.734 5.869 ( 12.989 -13.182 3.183) 18.777 5.869 ( 12.989 13.182 3.183) 18.777 6.040 ( 8.947 -3.368 6.092) 11.336 6.040 ( 8.947 3.368 6.092) 11.336 6.151 ( 14.338 -6.659 10.967) 19.241 6.151 ( 14.338 6.659 10.967) 19.241 7.189 ( 2.143 -18.171 3.017) 18.544 7.189 ( 2.143 18.171 3.017) 18.544 7.436 ( -8.500 -4.049 -11.448) 14.822 7.436 ( -8.500 4.049 -11.448) 14.822 7.731 ( -2.578 -1.922 -11.437) 11.880 7.731 ( -2.578 1.922 -11.437) 11.880 8.047 ( 0.104 -3.993 11.347) 12.030 8.047 ( 0.104 3.993 11.347) 12.030 8.394 ( -7.541 -1.911 10.339) 12.939 8.394 ( -7.541 1.911 10.339) 12.939 9.340 ( 4.012 -7.463 1.779) 8.658 9.340 ( 4.012 7.463 1.779) 8.658 9.558 ( -2.989 -4.399 -2.698) 5.963 9.558 ( -2.989 4.399 -2.698) 5.963 9.836 ( 24.577 -10.712 -2.217) 26.901 9.836 ( 24.577 10.712 -2.217) 26.901 10.664 ( 10.137 -20.026 -0.845) 22.461 10.664 ( 10.137 20.026 -0.845) 22.461 11.317 ( -10.000 -10.531 -15.114) 20.960 11.317 ( -10.000 10.531 -15.114) 20.960 11.697 ( -12.506 -13.551 0.798) 18.457 11.697 ( -12.506 13.551 0.798) 18.457 13.671 ( 25.733 -22.732 -2.985) 34.465 13.671 ( 25.733 22.732 -2.985) 34.465 13.933 ( 13.924 -6.749 10.504) 18.703 13.933 ( 13.924 6.749 10.504) 18.703 14.455 ( -2.912 -17.882 6.711) 19.321 14.455 ( -2.912 17.882 6.711) 19.321 14.597 ( 13.215 -15.436 14.664) 25.058 14.597 ( 13.215 15.436 14.664) 25.058 15.230 ( -15.852 -17.413 -12.616) 26.714 15.230 ( -15.852 17.413 -12.616) 26.714 16.419 ( -23.545 -7.128 9.309) 26.302 16.419 ( -23.545 7.128 9.309) 26.302 19.249 ( 13.815 -1.847 -2.511) 14.163 19.249 ( 13.815 1.847 -2.511) 14.163 19.960 ( -8.529 -7.257 -3.554) 11.749 19.960 ( -8.529 7.257 -3.554) 11.749 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 4.496 -8.287 4.237) 10.336 2.252 ( 4.496 8.287 4.237) 10.336 2.343 ( -3.334 -13.079 5.611) 14.617 2.343 ( -3.334 13.079 5.611) 14.617 2.854 ( 6.452 -3.758 0.678) 7.497 2.854 ( 6.452 3.758 0.678) 7.497 3.023 ( -7.730 -3.668 0.665) 8.582 3.023 ( -7.730 3.668 0.665) 8.582 3.475 ( 2.548 -4.865 -4.886) 7.351 3.475 ( 2.548 4.865 -4.886) 7.351 3.609 ( -9.068 -5.147 -7.254) 12.702 3.609 ( -9.068 5.147 -7.254) 12.702 5.449 ( 7.987 -8.090 -4.335) 12.167 5.449 ( 7.987 8.090 -4.335) 12.167 5.581 ( -4.616 -8.300 1.355) 9.594 5.581 ( -4.616 8.300 1.355) 9.594 6.090 ( 9.854 -1.835 3.649) 10.667 6.090 ( 9.854 1.835 3.649) 10.667 6.198 ( 0.977 -1.081 10.447) 10.548 6.198 ( 0.977 1.081 10.447) 10.548 6.501 ( 20.927 -14.551 1.408) 25.527 6.501 ( 20.927 14.551 1.408) 25.527 6.934 ( -20.626 -12.150 -6.551) 24.819 6.934 ( -20.626 12.150 -6.551) 24.819 7.486 ( 8.246 -2.583 -5.134) 10.051 7.486 ( 8.246 2.583 -5.134) 10.051 7.646 ( -6.572 -3.362 -7.428) 10.472 7.646 ( -6.572 3.362 -7.428) 10.472 8.105 ( 5.276 -3.859 12.803) 14.375 8.105 ( 5.276 3.859 12.803) 14.375 8.238 ( -7.485 -3.292 12.124) 14.623 8.238 ( -7.485 3.292 12.124) 14.623 9.403 ( 3.144 -6.920 2.041) 7.870 9.403 ( 3.144 6.920 2.041) 7.870 9.476 ( -4.088 -5.447 0.467) 6.827 9.476 ( -4.088 5.447 0.467) 6.827 10.348 ( 23.590 -15.774 -5.487) 28.903 10.348 ( 23.590 15.774 -5.487) 28.903 10.714 ( -9.513 -22.131 -4.487) 24.503 10.714 ( -9.513 22.131 -4.487) 24.503 11.218 ( 4.469 -12.546 -7.341) 15.208 11.218 ( 4.469 12.546 -7.341) 15.208 11.430 ( -13.306 -14.392 -1.166) 19.635 11.430 ( -13.306 14.392 -1.166) 19.635 13.984 ( 10.564 -21.938 3.811) 24.645 13.984 ( 10.564 21.938 3.811) 24.645 14.164 ( -4.493 -16.433 3.866) 17.469 14.164 ( -4.493 16.433 3.866) 17.469 14.472 ( 16.102 -19.115 -6.342) 25.786 14.472 ( 16.102 19.115 -6.342) 25.786 14.807 ( -11.770 -13.709 -6.762) 19.292 14.807 ( -11.770 13.709 -6.762) 19.292 15.200 ( 26.664 -6.111 15.614) 31.498 15.200 ( 26.664 6.111 15.614) 31.498 15.847 ( -32.160 -7.829 16.012) 36.769 15.847 ( -32.160 7.829 16.012) 36.769 19.521 ( 12.887 -4.872 -4.532) 14.504 19.521 ( 12.887 4.872 -4.532) 14.504 19.763 ( -10.948 -6.577 -4.402) 13.509 19.763 ( -10.948 6.577 -4.402) 13.509 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 0.000 27.007) 27.007 1.400 ( 0.000 0.000 31.340) 31.340 2.267 ( 0.000 0.000 34.145) 34.145 2.567 ( 0.000 0.000 20.437) 20.437 2.649 ( 0.000 0.000 4.499) 4.499 2.653 ( 0.000 0.000 -14.364) 14.364 3.280 ( 0.000 0.000 -0.921) 0.921 3.506 ( 0.000 0.000 -3.458) 3.458 3.755 ( 0.000 0.000 -10.223) 10.223 3.935 ( 0.000 0.000 -11.419) 11.419 3.978 ( 0.000 0.000 -9.161) 9.161 4.088 ( 0.000 0.000 -2.068) 2.068 4.793 ( 0.000 0.000 1.707) 1.707 4.855 ( 0.000 0.000 5.083) 5.083 4.893 ( 0.000 0.000 9.303) 9.303 4.960 ( 0.000 0.000 10.499) 10.499 5.088 ( 0.000 0.000 10.804) 10.804 5.221 ( 0.000 0.000 -0.032) 0.032 5.370 ( 0.000 0.000 6.205) 6.205 5.553 ( 0.000 0.000 -2.381) 2.381 6.060 ( 0.000 0.000 23.997) 23.997 6.684 ( 0.000 0.000 -13.310) 13.310 6.889 ( 0.000 0.000 -3.252) 3.252 7.215 ( 0.000 0.000 -18.839) 18.839 7.577 ( 0.000 0.000 11.351) 11.351 7.583 ( 0.000 0.000 1.543) 1.543 7.772 ( 0.000 0.000 4.875) 4.875 8.150 ( 0.000 0.000 -17.280) 17.280 8.160 ( 0.000 0.000 -11.092) 11.092 8.246 ( 0.000 0.000 -3.933) 3.933 8.299 ( 0.000 0.000 -2.944) 2.944 8.305 ( 0.000 0.000 -6.124) 6.124 8.848 ( 0.000 0.000 -10.856) 10.856 8.911 ( 0.000 0.000 7.881) 7.881 9.417 ( 0.000 0.000 2.677) 2.677 9.550 ( 0.000 0.000 4.050) 4.050 9.672 ( 0.000 0.000 -2.736) 2.736 9.726 ( 0.000 0.000 5.367) 5.367 9.976 ( 0.000 0.000 14.882) 14.882 10.039 ( 0.000 0.000 -9.454) 9.454 11.387 ( 0.000 0.000 -14.204) 14.204 11.462 ( 0.000 0.000 -12.895) 12.895 11.740 ( 0.000 0.000 -11.064) 11.064 11.820 ( 0.000 0.000 0.468) 0.468 12.299 ( 0.000 0.000 4.172) 4.172 12.358 ( 0.000 0.000 34.271) 34.271 12.789 ( 0.000 0.000 29.472) 29.472 13.772 ( 0.000 0.000 28.000) 28.000 14.873 ( 0.000 0.000 12.442) 12.442 15.054 ( 0.000 0.000 0.431) 0.431 15.468 ( 0.000 0.000 -38.063) 38.063 15.878 ( 0.000 0.000 -16.309) 16.309 15.885 ( 0.000 0.000 -1.544) 1.544 16.079 ( 0.000 0.000 -15.890) 15.890 16.166 ( 0.000 0.000 0.745) 0.745 16.623 ( 0.000 0.000 -3.700) 3.700 18.939 ( 0.000 0.000 26.966) 26.966 19.246 ( 0.000 0.000 1.037) 1.037 19.575 ( 0.000 0.000 -3.342) 3.342 20.302 ( 0.000 0.000 -3.854) 3.854 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 12.968 0.000 24.125) 27.390 1.544 ( 13.373 0.000 26.985) 30.116 2.481 ( 17.352 0.000 11.559) 20.850 2.565 ( 2.458 0.000 28.947) 29.052 2.674 ( 2.326 0.000 4.636) 5.187 2.692 ( 4.288 0.000 -9.775) 10.674 3.194 ( -6.618 0.000 -2.372) 7.031 3.513 ( -0.281 0.000 -3.638) 3.649 3.748 ( -1.946 0.000 -9.629) 9.824 3.866 ( -5.790 0.000 -9.445) 11.078 3.942 ( -3.837 0.000 -9.613) 10.351 4.039 ( -4.837 0.000 -1.998) 5.233 4.632 ( -9.496 0.000 2.417) 9.799 4.767 ( -1.344 0.000 2.206) 2.583 4.978 ( 8.225 0.000 3.274) 8.853 5.076 ( 10.723 0.000 7.654) 13.174 5.106 ( 3.245 0.000 10.698) 11.179 5.433 ( 6.766 0.000 7.586) 10.165 5.549 ( 16.591 0.000 5.707) 17.545 5.750 ( 16.855 0.000 0.711) 16.870 6.134 ( 8.270 0.000 21.435) 22.975 6.545 ( -8.011 0.000 -11.567) 14.070 6.896 ( -2.500 0.000 -7.230) 7.650 7.354 ( 8.495 0.000 -5.880) 10.331 7.578 ( -6.135 0.000 -4.260) 7.469 7.691 ( -3.504 0.000 1.516) 3.818 7.707 ( 11.934 0.000 -0.557) 11.947 8.100 ( -1.360 0.000 -1.708) 2.184 8.112 ( -3.100 0.000 -16.457) 16.747 8.213 ( 0.935 0.000 -1.002) 1.371 8.386 ( 4.305 0.000 -5.739) 7.174 8.401 ( 6.886 0.000 -2.284) 7.254 8.904 ( 4.123 0.000 -9.477) 10.335 9.075 ( 14.161 0.000 1.738) 14.267 9.399 ( -11.285 0.000 1.196) 11.349 9.472 ( 6.026 0.000 3.164) 6.806 9.682 ( -4.049 0.000 4.055) 5.730 9.694 ( 2.192 0.000 -0.880) 2.362 9.985 ( 0.973 0.000 14.246) 14.279 10.162 ( 8.274 0.000 -6.783) 10.699 11.304 ( -4.287 0.000 -6.006) 7.379 11.574 ( 7.075 0.000 -19.944) 21.161 11.657 ( -6.387 0.000 -8.950) 10.996 11.700 ( -6.310 0.000 3.327) 7.134 12.170 ( -6.996 0.000 -2.839) 7.550 12.777 ( 30.085 0.000 34.525) 45.794 12.975 ( 16.019 0.000 26.927) 31.332 13.850 ( 8.443 0.000 27.583) 28.847 14.882 ( 0.882 0.000 12.428) 12.459 14.945 ( -11.184 0.000 6.248) 12.811 15.039 ( -29.896 0.000 -34.652) 45.766 15.422 ( -19.312 0.000 3.086) 19.557 16.105 ( 7.770 0.000 -0.975) 7.831 16.259 ( 10.901 0.000 -13.867) 17.639 16.592 ( 24.816 0.000 -19.756) 31.720 16.611 ( -1.166 0.000 -3.482) 3.672 18.960 ( 2.430 0.000 23.603) 23.728 19.040 ( -17.134 0.000 4.099) 17.617 19.529 ( -4.551 0.000 -4.030) 6.079 20.269 ( -3.191 0.000 -4.148) 5.234 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 11.340 0.000 17.286) 20.673 1.889 ( 19.386 0.000 18.857) 27.045 2.536 ( -0.357 0.000 7.968) 7.976 2.733 ( 3.157 0.000 4.998) 5.912 2.739 ( 5.135 0.000 -15.628) 16.450 3.031 ( 7.940 0.000 4.549) 9.150 3.118 ( 13.451 0.000 9.375) 16.396 3.452 ( -4.516 0.000 0.540) 4.548 3.654 ( -6.856 0.000 -7.328) 10.036 3.763 ( -4.417 0.000 -12.989) 13.719 3.804 ( -9.715 0.000 -7.969) 12.565 3.927 ( -4.454 0.000 1.551) 4.716 4.579 ( 3.096 0.000 -4.547) 5.501 4.752 ( -0.123 0.000 0.409) 0.427 5.044 ( -0.249 0.000 2.031) 2.046 5.247 ( 7.753 0.000 2.200) 8.059 5.344 ( 15.114 0.000 3.447) 15.503 5.690 ( 18.521 0.000 15.527) 24.168 5.910 ( 18.794 0.000 13.056) 22.884 6.048 ( 12.086 0.000 8.145) 14.574 6.405 ( 17.189 0.000 16.055) 23.520 6.427 ( -3.722 0.000 -10.921) 11.537 6.760 ( -10.982 0.000 -9.075) 14.247 7.270 ( -19.574 0.000 -18.359) 26.837 7.500 ( 6.611 0.000 0.272) 6.617 7.706 ( 1.688 0.000 5.967) 6.201 7.865 ( -1.292 0.000 -10.054) 10.137 8.127 ( 2.927 0.000 5.511) 6.240 8.130 ( 7.944 0.000 -6.350) 10.170 8.297 ( 6.391 0.000 -1.461) 6.556 8.436 ( 0.726 0.000 -2.346) 2.455 8.546 ( 6.715 0.000 1.241) 6.829 8.951 ( -0.255 0.000 -4.943) 4.950 9.183 ( -9.129 0.000 -1.672) 9.281 9.390 ( 14.658 0.000 -3.499) 15.070 9.585 ( -4.316 0.000 5.923) 7.329 9.643 ( 7.305 0.000 5.392) 9.080 9.786 ( 8.845 0.000 1.227) 8.930 10.023 ( 3.879 0.000 13.106) 13.668 10.275 ( 2.429 0.000 -9.133) 9.451 11.280 ( 2.627 0.000 1.475) 3.013 11.465 ( -10.588 0.000 -11.375) 15.540 11.682 ( 4.999 0.000 -3.100) 5.882 11.747 ( 7.259 0.000 -20.258) 21.520 11.990 ( -10.435 0.000 -7.262) 12.713 13.318 ( 15.616 0.000 24.457) 29.017 13.485 ( 38.930 0.000 34.653) 52.119 14.160 ( 22.824 0.000 25.016) 33.863 14.398 ( -32.715 0.000 -33.260) 46.653 14.658 ( -14.471 0.000 15.140) 20.943 14.913 ( 2.467 0.000 12.543) 12.783 15.179 ( -7.018 0.000 1.444) 7.165 16.202 ( 4.105 0.000 4.450) 6.054 16.433 ( 2.538 0.000 -9.239) 9.581 16.575 ( -2.249 0.000 -2.342) 3.247 16.935 ( 7.759 0.000 -11.521) 13.890 18.703 ( -13.279 0.000 -0.218) 13.281 19.053 ( 7.143 0.000 14.155) 15.855 19.396 ( -8.474 0.000 -5.998) 10.382 20.172 ( -6.433 0.000 -4.908) 8.092 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 13.152 0.000 7.022) 14.909 2.276 ( 17.885 0.000 12.273) 21.691 2.534 ( -0.407 0.000 1.605) 1.656 2.781 ( 0.968 0.000 5.549) 5.632 2.818 ( 1.137 0.000 -10.594) 10.654 2.989 ( -2.742 0.000 -9.264) 9.662 3.208 ( -4.804 0.000 -2.163) 5.268 3.507 ( -6.720 0.000 -5.642) 8.775 3.543 ( -1.555 0.000 2.989) 3.370 3.591 ( -10.068 0.000 -5.838) 11.638 3.750 ( 8.862 0.000 -0.593) 8.882 3.892 ( 0.027 0.000 2.771) 2.771 4.755 ( 0.500 0.000 0.299) 0.582 4.769 ( 17.020 0.000 -9.341) 19.415 4.988 ( -5.012 0.000 -0.656) 5.055 5.448 ( 13.169 0.000 -3.580) 13.647 5.666 ( 16.243 0.000 1.066) 16.278 6.066 ( 14.905 0.000 19.640) 24.655 6.136 ( -4.842 0.000 3.911) 6.224 6.277 ( 13.120 0.000 13.765) 19.016 6.409 ( -3.307 0.000 -9.331) 9.900 6.535 ( -1.498 0.000 2.464) 2.884 6.724 ( 11.109 0.000 8.576) 14.034 6.882 ( -16.014 0.000 -21.394) 26.724 7.612 ( 3.791 0.000 -0.108) 3.792 7.756 ( -6.378 0.000 -6.184) 8.884 7.756 ( 3.906 0.000 6.677) 7.735 8.163 ( -1.000 0.000 4.474) 4.584 8.301 ( 6.444 0.000 -2.280) 6.836 8.438 ( 6.347 0.000 -0.729) 6.389 8.453 ( 2.567 0.000 3.910) 4.677 8.653 ( 4.401 0.000 1.522) 4.657 8.892 ( -5.396 0.000 0.782) 5.452 9.034 ( -6.074 0.000 -3.947) 7.243 9.492 ( -0.103 0.000 0.715) 0.722 9.658 ( 6.245 0.000 8.820) 10.807 9.720 ( 2.365 0.000 9.179) 9.479 9.895 ( -0.618 0.000 9.480) 9.500 10.296 ( 22.549 0.000 3.514) 22.821 10.319 ( 4.759 0.000 -13.091) 13.929 11.184 ( -14.493 0.000 -4.829) 15.277 11.436 ( 9.125 0.000 -3.544) 9.789 11.648 ( -14.930 0.000 -1.121) 14.972 11.841 ( 1.431 0.000 -18.657) 18.712 12.003 ( 17.661 0.000 -19.048) 25.976 13.589 ( 12.098 0.000 22.504) 25.549 13.730 ( -32.645 0.000 -30.907) 44.955 14.316 ( 41.874 0.000 30.958) 52.076 14.349 ( -12.278 0.000 16.117) 20.261 14.734 ( 22.263 0.000 12.110) 25.343 15.010 ( 6.569 0.000 12.956) 14.526 15.110 ( 5.825 0.000 9.443) 11.095 16.276 ( -2.679 0.000 0.781) 2.790 16.317 ( -7.921 0.000 7.034) 10.593 16.529 ( -2.640 0.000 -0.497) 2.686 16.862 ( -15.024 0.000 6.006) 16.180 18.580 ( 1.433 0.000 -11.741) 11.828 19.194 ( -11.265 0.000 -8.979) 14.406 19.251 ( 12.065 0.000 3.285) 12.505 20.010 ( -9.640 0.000 -5.723) 11.211 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 15.457 0.000 -1.147) 15.500 2.440 ( -10.698 0.000 -4.451) 11.587 2.581 ( 11.838 0.000 8.308) 14.463 2.748 ( -4.740 0.000 6.411) 7.973 2.814 ( 1.843 0.000 -5.274) 5.587 2.902 ( -5.500 0.000 -6.775) 8.726 3.243 ( 6.988 0.000 -5.237) 8.733 3.408 ( -8.353 0.000 -5.453) 9.976 3.414 ( -1.989 0.000 -5.065) 5.441 3.438 ( -4.489 0.000 -5.222) 6.886 3.872 ( 2.480 0.000 4.156) 4.840 3.899 ( -0.148 0.000 4.913) 4.915 4.786 ( 2.836 0.000 0.339) 2.856 4.873 ( -5.563 0.000 -0.419) 5.579 5.243 ( 27.430 0.000 -11.918) 29.907 5.768 ( 17.715 0.000 -6.308) 18.804 5.787 ( -24.394 0.000 -10.088) 26.398 5.981 ( 13.705 0.000 -1.803) 13.823 6.104 ( -12.185 0.000 3.413) 12.654 6.224 ( -10.201 0.000 -3.017) 10.638 6.534 ( 10.760 0.000 15.249) 18.663 6.642 ( 1.581 0.000 15.488) 15.569 6.736 ( 4.413 0.000 -7.436) 8.647 6.837 ( -1.841 0.000 5.890) 6.171 7.639 ( -0.271 0.000 -1.968) 1.986 7.660 ( -2.309 0.000 -1.829) 2.945 7.892 ( 8.728 0.000 5.915) 10.544 8.067 ( -7.660 0.000 3.867) 8.581 8.399 ( 4.125 0.000 0.198) 4.130 8.474 ( -2.485 0.000 2.221) 3.332 8.568 ( 8.174 0.000 7.341) 10.987 8.746 ( -8.616 0.000 5.457) 10.199 8.774 ( 7.425 0.000 -4.161) 8.512 8.915 ( -6.189 0.000 -4.990) 7.950 9.548 ( 5.238 0.000 5.193) 7.376 9.662 ( -4.576 0.000 7.803) 9.045 9.773 ( 3.073 0.000 10.961) 11.384 9.842 ( -3.568 0.000 11.494) 12.035 10.527 ( 14.814 0.000 -9.980) 17.862 10.792 ( 24.900 0.000 0.081) 24.900 10.859 ( -16.991 0.000 -6.492) 18.189 11.267 ( -21.647 0.000 -1.286) 21.685 11.638 ( 9.723 0.000 -6.732) 11.826 11.798 ( -5.495 0.000 -12.995) 14.109 12.479 ( 27.580 0.000 -24.586) 36.948 13.080 ( -31.331 0.000 -28.435) 42.310 13.834 ( 12.410 0.000 19.009) 22.701 14.090 ( -12.869 0.000 16.255) 20.732 14.936 ( 4.053 0.000 4.675) 6.187 14.998 ( -2.556 0.000 3.866) 4.635 15.144 ( 38.882 0.000 24.958) 46.203 15.682 ( 36.544 0.000 22.098) 42.706 15.844 ( -29.465 0.000 15.853) 33.459 16.381 ( -30.852 0.000 16.600) 35.035 16.382 ( 4.305 0.000 2.595) 5.027 16.464 ( -3.716 0.000 0.992) 3.846 18.715 ( 10.353 0.000 -15.047) 18.264 18.952 ( -12.361 0.000 -12.496) 17.577 19.518 ( 13.743 0.000 -3.422) 14.162 19.786 ( -12.409 0.000 -5.744) 13.675 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 -0.982 28.969) 28.985 1.373 ( 0.000 14.296 22.117) 26.335 2.441 ( 0.000 2.371 8.141) 8.479 2.532 ( 0.000 -8.714 -10.068) 13.316 2.707 ( 0.000 18.236 33.567) 38.201 2.776 ( 0.000 8.800 0.590) 8.820 3.331 ( 0.000 4.729 -1.166) 4.871 3.420 ( 0.000 -5.556 -5.822) 8.047 3.702 ( 0.000 -10.011 -14.437) 17.568 3.813 ( 0.000 3.590 -11.940) 12.468 4.040 ( 0.000 -4.364 -3.662) 5.697 4.072 ( 0.000 -0.965 -4.958) 5.051 4.784 ( 0.000 -3.707 13.751) 14.242 4.881 ( 0.000 -3.726 3.053) 4.817 4.962 ( 0.000 5.952 2.540) 6.471 5.008 ( 0.000 6.606 2.371) 7.018 5.140 ( 0.000 14.444 9.145) 17.096 5.218 ( 0.000 -1.427 6.914) 7.059 5.495 ( 0.000 -2.477 0.955) 2.655 5.566 ( 0.000 15.057 10.455) 18.331 6.013 ( 0.000 -3.634 19.631) 19.965 6.635 ( 0.000 -4.982 -10.934) 12.016 6.775 ( 0.000 -9.903 -1.463) 10.010 7.185 ( 0.000 -1.337 -16.821) 16.874 7.463 ( 0.000 -7.542 7.308) 10.502 7.769 ( 0.000 11.332 -2.364) 11.576 7.852 ( 0.000 4.233 3.249) 5.336 8.037 ( 0.000 -14.499 -7.187) 16.183 8.149 ( 0.000 -0.008 -19.417) 19.417 8.213 ( 0.000 -0.743 1.273) 1.474 8.237 ( 0.000 -2.395 -7.017) 7.414 8.379 ( 0.000 5.645 -3.664) 6.730 8.766 ( 0.000 -6.330 -6.222) 8.876 8.841 ( 0.000 -5.922 5.151) 7.849 9.293 ( 0.000 -2.383 4.827) 5.383 9.670 ( 0.000 -1.632 -2.886) 3.315 9.675 ( 0.000 -1.526 9.348) 9.471 9.857 ( 0.000 14.926 -5.067) 15.763 9.909 ( 0.000 -4.236 1.716) 4.570 10.088 ( 0.000 3.349 3.479) 4.828 11.338 ( 0.000 -3.008 -12.962) 13.306 11.424 ( 0.000 -3.413 -13.361) 13.790 11.793 ( 0.000 5.050 -11.023) 12.124 12.042 ( 0.000 13.851 -10.016) 17.093 12.395 ( 0.000 12.538 12.512) 17.713 12.421 ( 0.000 5.475 33.282) 33.729 12.820 ( 0.000 2.575 29.208) 29.322 13.785 ( 0.000 1.807 26.747) 26.808 14.771 ( 0.000 -9.588 12.104) 15.441 15.015 ( 0.000 -2.282 -0.866) 2.441 15.529 ( 0.000 -0.026 -23.237) 23.237 15.629 ( 0.000 -16.710 9.901) 19.423 15.907 ( 0.000 -17.870 -8.617) 19.839 15.917 ( 0.000 1.271 -16.873) 16.921 16.069 ( 0.000 -0.954 -15.992) 16.021 16.581 ( 0.000 -4.636 -13.591) 14.360 18.960 ( 0.000 2.090 25.806) 25.890 19.243 ( 0.000 -0.767 5.799) 5.850 19.711 ( 0.000 11.036 -3.129) 11.471 20.300 ( 0.000 -0.330 -3.815) 3.829 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 12.478 0.552 24.523) 27.520 1.541 ( 13.460 10.237 20.334) 26.447 2.485 ( 3.064 -2.643 2.928) 4.995 2.550 ( 1.224 -8.301 -7.890) 11.518 2.745 ( 2.703 10.183 14.084) 17.589 2.847 ( 9.712 13.532 15.146) 22.513 3.246 ( -6.171 4.694 -2.911) 8.282 3.426 ( -1.051 -5.141 -4.323) 6.799 3.676 ( -1.954 -7.199 -13.856) 15.737 3.815 ( -1.882 1.826 -10.747) 11.063 3.952 ( -6.480 -4.137 -3.597) 8.489 4.040 ( -4.256 -0.499 -4.907) 6.515 4.620 ( -6.930 -0.036 3.741) 7.875 4.866 ( -0.868 4.982 5.076) 7.165 5.060 ( 5.292 3.325 8.177) 10.292 5.075 ( 8.429 4.080 3.917) 10.151 5.221 ( 8.336 12.071 6.819) 16.177 5.523 ( 19.392 -3.633 6.945) 20.916 5.587 ( 8.656 2.566 5.578) 10.612 5.655 ( 9.642 7.672 8.102) 14.747 6.088 ( 8.176 -4.243 18.314) 20.500 6.498 ( -7.191 -5.159 -7.654) 11.701 6.814 ( -0.166 -6.706 -5.422) 8.625 7.304 ( 6.942 -3.549 -7.553) 10.855 7.517 ( 5.263 -8.145 2.330) 9.973 7.678 ( -13.497 4.521 -9.562) 17.148 7.875 ( 5.114 6.858 -0.604) 8.576 8.065 ( 0.687 -4.251 -11.532) 12.309 8.137 ( 0.703 -8.416 -6.904) 10.908 8.202 ( 1.358 4.220 -1.789) 4.780 8.254 ( 4.644 -0.446 0.754) 4.726 8.476 ( 5.889 3.012 -3.984) 7.722 8.785 ( 0.408 -8.653 -7.368) 11.372 8.993 ( 14.353 -6.327 2.874) 15.947 9.294 ( 0.317 -1.280 5.041) 5.211 9.619 ( -3.318 0.342 3.983) 5.195 9.694 ( 2.210 -1.305 -1.468) 2.957 9.762 ( -3.854 7.466 -2.271) 8.703 9.985 ( 2.343 2.435 11.378) 11.869 10.190 ( 8.089 3.053 -5.284) 10.133 11.267 ( -3.942 -2.340 -8.033) 9.249 11.506 ( 5.166 -6.046 -16.910) 18.686 11.692 ( -8.544 5.291 -7.623) 12.614 11.937 ( -5.057 15.300 -3.137) 16.416 12.251 ( -5.601 8.697 0.406) 10.353 12.861 ( 28.910 7.985 32.669) 44.349 13.006 ( 16.816 2.873 27.396) 32.273 13.850 ( 6.957 0.656 26.259) 27.173 14.770 ( -1.427 -9.905 8.509) 13.136 14.895 ( -11.444 -1.181 1.965) 11.672 15.172 ( -23.983 8.060 -22.976) 34.176 15.370 ( -15.145 -4.821 5.765) 16.907 15.843 ( 1.463 -25.137 4.244) 25.535 16.204 ( 8.574 -12.650 -10.476) 18.528 16.277 ( 12.808 -4.454 -17.443) 22.094 16.718 ( 12.195 -0.500 -16.917) 20.861 18.978 ( 2.025 1.776 22.412) 22.573 19.094 ( -12.491 3.409 6.086) 14.307 19.667 ( -4.290 11.232 -3.739) 12.591 20.267 ( -3.260 -0.395 -4.124) 5.272 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 12.094 8.157 14.499) 20.568 1.846 ( 17.239 -0.669 17.922) 24.876 2.511 ( 0.541 -3.711 3.289) 4.988 2.610 ( 4.096 -5.822 -4.433) 8.386 2.785 ( 2.020 -0.409 -5.720) 6.080 3.119 ( -2.053 -0.548 0.047) 2.126 3.138 ( 8.289 6.216 7.480) 12.779 3.358 ( -4.704 -5.208 -0.247) 7.022 3.644 ( -0.249 -0.998 -9.396) 9.453 3.715 ( -6.540 -0.704 -8.514) 10.759 3.823 ( -6.343 -3.348 -3.461) 7.964 3.908 ( -8.136 0.349 -3.901) 9.030 4.599 ( 4.302 2.342 -3.291) 5.902 4.844 ( 0.274 7.475 2.508) 7.889 5.148 ( 5.316 4.480 7.447) 10.187 5.276 ( 5.517 5.952 0.387) 8.125 5.457 ( 15.590 9.697 3.638) 18.717 5.788 ( 13.069 7.803 11.350) 18.987 5.903 ( 16.618 -1.854 11.947) 20.551 5.960 ( 18.447 -2.156 12.242) 22.245 6.296 ( 6.870 -6.594 1.274) 9.608 6.465 ( 8.184 -1.528 7.747) 11.373 6.742 ( -7.035 -0.930 -7.639) 10.426 7.306 ( -19.196 2.194 -17.381) 25.988 7.399 ( 1.709 -5.329 -2.646) 6.190 7.633 ( 3.694 -6.763 1.441) 7.839 7.862 ( -5.252 -2.573 -9.390) 11.062 8.088 ( 1.419 -5.657 2.652) 6.407 8.204 ( 4.050 -6.056 -3.884) 8.256 8.338 ( 10.717 12.793 1.932) 16.800 8.367 ( 4.913 0.025 1.901) 5.268 8.586 ( 5.335 1.403 -2.400) 6.016 8.768 ( -1.702 -9.025 -1.480) 9.303 9.256 ( 2.147 -0.134 0.417) 2.191 9.368 ( 13.067 -0.809 -1.717) 13.204 9.593 ( -0.684 0.253 1.482) 1.651 9.728 ( 1.129 5.056 3.628) 6.325 9.777 ( 7.862 -1.640 0.770) 8.068 10.029 ( 2.919 2.266 12.520) 13.055 10.320 ( 4.070 4.906 -10.405) 12.202 11.243 ( 2.542 -3.638 -3.570) 5.696 11.488 ( -11.426 4.777 -5.195) 13.430 11.578 ( 0.896 -9.676 -17.435) 19.960 11.928 ( 3.203 10.081 -10.315) 14.775 12.129 ( -4.878 15.952 -3.013) 16.952 13.359 ( 17.868 3.613 23.439) 29.694 13.561 ( 37.034 6.820 33.378) 50.320 14.087 ( 14.011 -4.527 19.423) 24.374 14.458 ( -20.550 3.481 -16.308) 26.464 14.744 ( -17.537 7.485 2.411) 19.219 14.837 ( 2.740 -6.349 14.074) 15.681 15.156 ( -7.171 -2.276 2.135) 7.820 15.900 ( 3.840 -26.444 4.769) 27.144 16.244 ( -1.578 -25.130 -4.326) 25.548 16.462 ( 2.672 2.795 -9.135) 9.920 16.919 ( 4.319 -2.735 -9.675) 10.942 18.843 ( -9.642 10.031 0.496) 13.922 19.064 ( 6.624 1.089 13.040) 14.666 19.542 ( -7.975 11.763 -5.432) 15.215 20.169 ( -6.504 -0.527 -4.923) 8.174 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 11.316 7.998 6.358) 15.246 2.194 ( 15.341 -5.097 11.290) 19.718 2.548 ( 3.072 -1.587 -0.430) 3.484 2.673 ( 1.238 -4.320 3.742) 5.848 2.838 ( 1.830 -1.520 -12.343) 12.570 2.979 ( -5.792 -6.027 -5.622) 10.074 3.182 ( -3.763 2.765 0.265) 4.677 3.286 ( -3.581 -12.220 1.257) 12.796 3.559 ( -8.145 0.035 -9.073) 12.193 3.640 ( -6.436 -2.155 0.236) 6.791 3.736 ( 0.209 -3.153 -5.314) 6.183 3.772 ( -3.915 -5.818 1.091) 7.097 4.784 ( 11.172 3.777 -7.751) 14.112 4.929 ( 11.188 12.275 1.792) 16.705 5.183 ( -3.326 14.816 1.347) 15.245 5.439 ( 13.663 -0.221 -3.199) 14.034 5.776 ( 14.974 9.291 1.532) 17.689 5.992 ( 1.877 -3.216 8.469) 9.252 6.219 ( 14.946 -2.539 14.539) 21.005 6.288 ( 10.995 6.858 15.258) 20.019 6.362 ( 0.649 -3.460 -3.137) 4.715 6.565 ( -5.348 4.567 -2.961) 7.631 6.739 ( 11.931 -0.617 12.753) 17.474 6.905 ( -17.081 1.786 -23.181) 28.850 7.452 ( 2.749 -8.937 -2.262) 9.620 7.645 ( -3.205 -6.942 -3.455) 8.390 7.778 ( -0.428 -4.268 0.653) 4.339 8.092 ( -2.334 -7.437 2.800) 8.283 8.269 ( 3.271 -5.313 3.163) 6.995 8.424 ( 2.539 3.143 1.297) 4.244 8.520 ( 3.732 2.504 9.078) 10.129 8.677 ( 0.004 -5.120 0.262) 5.127 8.774 ( 6.782 7.457 -2.030) 10.282 9.232 ( -2.592 7.603 -0.242) 8.037 9.526 ( 0.438 2.669 -4.841) 5.545 9.625 ( 4.502 -2.287 8.850) 10.190 9.768 ( 2.443 2.649 7.199) 8.051 9.942 ( 2.791 5.489 7.433) 9.652 10.213 ( 16.880 -5.832 -3.051) 18.118 10.412 ( 8.696 7.285 -7.487) 13.592 11.219 ( -14.773 3.580 -7.012) 16.740 11.370 ( 8.750 -4.998 -1.581) 10.200 11.504 ( -9.283 -10.671 -10.376) 17.541 11.891 ( -6.140 -0.277 -14.180) 15.454 12.248 ( 16.131 23.108 -11.079) 30.281 13.653 ( 10.254 5.697 17.742) 21.269 13.803 ( -25.758 7.413 -21.115) 34.122 14.345 ( 35.114 2.637 28.874) 45.537 14.439 ( -9.763 6.929 11.134) 16.349 14.668 ( 22.241 -5.992 11.481) 25.737 14.953 ( 8.537 -4.908 15.142) 18.062 15.067 ( 2.484 -3.976 7.180) 8.575 15.989 ( 4.687 -24.724 3.524) 25.410 16.177 ( -5.124 -27.232 -2.726) 27.843 16.353 ( -13.071 2.622 6.071) 14.648 16.825 ( -13.619 -3.511 5.328) 15.039 18.764 ( 2.036 13.651 -9.298) 16.642 19.246 ( 10.012 0.876 1.194) 10.121 19.357 ( -9.012 11.865 -6.810) 16.382 20.005 ( -9.657 -0.615 -5.802) 11.283 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 12.554 3.686 0.515) 13.094 2.381 ( -0.474 -4.633 1.289) 4.832 2.577 ( 0.156 0.725 -0.149) 0.756 2.635 ( -3.410 -6.449 1.869) 7.531 2.861 ( 5.090 1.448 -3.035) 6.101 2.971 ( -1.821 0.728 -5.540) 5.877 3.123 ( 1.107 -6.092 -0.259) 6.197 3.207 ( -4.397 -11.435 -1.411) 12.332 3.439 ( -2.432 -0.075 -5.995) 6.470 3.483 ( -6.313 -0.957 -4.262) 7.677 3.719 ( -0.715 -11.635 0.225) 11.659 3.732 ( -1.542 -10.221 0.172) 10.338 4.940 ( 6.430 10.599 -0.807) 12.424 5.071 ( -6.375 14.250 0.413) 15.616 5.337 ( 24.163 7.494 -9.277) 26.946 5.770 ( 3.180 0.995 -4.033) 5.231 5.813 ( -2.199 1.036 -9.734) 10.033 6.050 ( 11.422 6.231 1.023) 13.051 6.188 ( -17.091 8.425 -0.861) 19.074 6.247 ( -8.657 1.591 -2.409) 9.126 6.506 ( 10.707 -1.730 15.103) 18.594 6.606 ( 1.827 -2.068 13.744) 14.018 6.785 ( 4.466 3.436 -4.022) 6.923 6.867 ( -0.247 1.586 8.555) 8.705 7.499 ( 2.081 -9.976 -4.379) 11.092 7.557 ( -3.926 -8.583 -5.331) 10.839 7.847 ( 6.016 -4.761 5.059) 9.190 7.987 ( -7.069 -6.362 3.027) 9.980 8.361 ( 5.551 -2.187 5.568) 8.161 8.456 ( -1.869 -0.025 4.379) 4.761 8.536 ( 1.701 -3.373 9.275) 10.014 8.613 ( -4.441 -6.853 7.645) 11.186 8.974 ( 10.069 14.844 -5.551) 18.776 9.144 ( -6.450 12.881 -3.599) 14.849 9.557 ( 3.375 0.822 2.327) 4.181 9.634 ( -2.997 -2.260 6.161) 7.214 9.835 ( 4.013 4.770 8.754) 10.746 9.918 ( -3.634 7.087 8.938) 11.971 10.539 ( 15.988 1.205 -11.013) 19.452 10.754 ( 18.122 -2.823 -2.245) 18.477 10.904 ( -12.812 4.685 -5.039) 14.543 11.208 ( -18.947 -5.868 -4.084) 20.251 11.568 ( 9.976 -6.451 -6.404) 13.496 11.752 ( -7.897 -4.558 -11.864) 14.963 12.672 ( 24.633 18.012 -19.167) 36.036 13.211 ( -28.147 12.501 -23.336) 38.640 13.916 ( 12.191 7.340 16.665) 21.914 14.167 ( -12.649 6.715 13.502) 19.682 14.840 ( 7.129 -8.037 6.613) 12.615 14.938 ( -3.814 -5.450 4.362) 7.954 15.196 ( 35.359 3.120 21.570) 41.536 15.541 ( 28.108 -14.171 16.028) 35.324 15.875 ( -22.388 -0.125 13.582) 26.186 16.047 ( -13.166 -24.517 5.150) 28.301 16.152 ( 6.404 -16.455 7.367) 19.133 16.436 ( -21.184 -3.479 12.933) 25.062 18.894 ( 9.706 13.904 -12.802) 21.247 19.117 ( -11.570 13.116 -11.254) 20.798 19.518 ( 13.393 -0.158 -3.717) 13.900 19.782 ( -12.311 -0.547 -5.922) 13.672 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.000 14.414 13.132) 19.499 1.725 ( 0.000 16.374 14.345) 21.769 2.278 ( 0.000 -14.009 -6.969) 15.647 2.365 ( 0.000 -7.479 8.454) 11.287 2.986 ( 0.000 8.167 -4.945) 9.548 3.025 ( 0.000 5.849 2.532) 6.374 3.357 ( 0.000 1.956 -5.039) 5.405 3.472 ( 0.000 7.041 -1.895) 7.292 3.666 ( 0.000 7.705 -10.742) 13.220 3.845 ( 0.000 -2.803 -9.400) 9.809 3.935 ( 0.000 -10.025 -0.706) 10.050 3.939 ( 0.000 -2.850 -11.653) 11.996 4.723 ( 0.000 -1.597 17.077) 17.151 4.777 ( 0.000 -2.551 13.372) 13.613 5.069 ( 0.000 1.244 5.984) 6.112 5.123 ( 0.000 8.071 1.090) 8.144 5.373 ( 0.000 5.148 -1.788) 5.450 5.513 ( 0.000 10.408 8.111) 13.195 5.532 ( 0.000 19.208 7.959) 20.792 5.675 ( 0.000 -8.061 25.982) 27.204 6.066 ( 0.000 4.892 0.245) 4.898 6.437 ( 0.000 -13.951 -5.512) 15.000 6.593 ( 0.000 1.245 3.335) 3.560 7.178 ( 0.000 0.710 -13.012) 13.031 7.314 ( 0.000 -5.810 0.210) 5.814 7.575 ( 0.000 -26.015 -2.199) 26.108 7.909 ( 0.000 1.615 -2.128) 2.671 7.931 ( 0.000 3.246 -4.143) 5.263 8.139 ( 0.000 -0.084 -19.897) 19.897 8.200 ( 0.000 -1.905 -12.598) 12.741 8.287 ( 0.000 6.628 4.505) 8.014 8.508 ( 0.000 5.679 4.134) 7.024 8.616 ( 0.000 -7.186 -6.048) 9.392 8.709 ( 0.000 -5.673 12.198) 13.453 9.318 ( 0.000 3.682 6.913) 7.833 9.571 ( 0.000 -6.782 -1.124) 6.875 9.645 ( 0.000 0.109 -2.974) 2.976 9.811 ( 0.000 -5.103 -6.182) 8.016 10.131 ( 0.000 9.284 -0.047) 9.284 10.177 ( 0.000 4.433 8.947) 9.985 11.279 ( 0.000 -2.197 -12.232) 12.428 11.334 ( 0.000 -4.343 -14.058) 14.714 11.942 ( 0.000 8.090 -12.292) 14.715 12.174 ( 0.000 0.032 -16.172) 16.172 12.567 ( 0.000 7.477 32.045) 32.906 12.771 ( 0.000 4.010 28.083) 28.368 13.057 ( 0.000 33.317 17.135) 37.465 13.894 ( 0.000 9.364 21.996) 23.906 14.479 ( 0.000 -17.226 13.257) 21.737 14.894 ( 0.000 -23.672 0.809) 23.686 15.114 ( 0.000 -14.699 9.602) 17.558 15.305 ( 0.000 -12.101 13.814) 18.365 15.906 ( 0.000 10.687 -33.004) 34.691 15.952 ( 0.000 1.901 -17.170) 17.275 16.041 ( 0.000 -1.467 -16.693) 16.758 16.420 ( 0.000 -10.005 -23.314) 25.370 19.027 ( 0.000 3.951 23.147) 23.482 19.201 ( 0.000 -3.076 13.406) 13.754 19.969 ( 0.000 11.574 -3.151) 11.995 20.273 ( 0.000 -2.616 -3.648) 4.489 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 9.932 12.073 12.398) 19.953 1.844 ( 9.435 14.855 13.254) 22.031 2.300 ( 2.105 -14.418 -6.596) 15.994 2.382 ( 1.817 -7.198 6.305) 9.740 2.905 ( -5.977 5.934 -3.769) 9.227 3.057 ( 0.999 1.293 -1.141) 1.992 3.323 ( -3.468 2.792 -3.869) 5.898 3.436 ( -3.328 5.780 -2.349) 7.072 3.673 ( 0.822 6.936 -10.694) 12.773 3.759 ( -7.015 -6.843 -3.071) 10.270 3.903 ( -3.376 -0.656 -13.722) 14.146 3.958 ( -0.026 -5.481 -3.274) 6.385 4.652 ( -2.495 3.085 9.446) 10.245 4.857 ( 4.337 -4.285 13.231) 14.568 5.117 ( 7.504 6.807 9.983) 14.224 5.304 ( 8.721 9.974 -0.287) 13.252 5.437 ( 9.319 1.540 3.656) 10.128 5.592 ( 10.473 7.200 10.216) 16.306 5.612 ( 7.740 14.487 7.271) 17.962 5.832 ( 13.673 -5.858 21.421) 26.079 6.073 ( 1.425 3.457 2.233) 4.355 6.308 ( -7.926 -10.231 -2.202) 13.128 6.695 ( 6.205 0.829 0.242) 6.265 7.249 ( 4.949 -1.171 -7.980) 9.463 7.359 ( 3.927 -6.215 -0.076) 7.352 7.592 ( 1.140 -20.374 -4.982) 21.005 7.813 ( -11.004 -0.377 -9.427) 14.495 7.945 ( -4.435 -1.787 -11.549) 12.499 8.149 ( 4.447 2.959 -6.582) 8.477 8.222 ( 4.962 -0.572 -4.048) 6.429 8.360 ( 7.690 5.865 1.351) 9.765 8.531 ( 2.819 0.675 2.458) 3.801 8.650 ( 2.524 -1.467 -2.904) 4.118 8.850 ( 13.206 -6.735 6.608) 16.230 9.322 ( 0.706 3.569 6.448) 7.403 9.590 ( 1.455 -5.886 -0.476) 6.082 9.620 ( -1.481 -0.346 -3.531) 3.844 9.776 ( -2.547 -4.024 -3.231) 5.754 10.150 ( 2.187 9.423 8.012) 12.560 10.283 ( 8.468 4.193 -1.686) 9.598 11.223 ( -4.089 -1.338 -10.881) 11.700 11.356 ( 0.841 -7.046 -15.545) 17.088 11.851 ( -7.786 8.666 -9.038) 14.745 12.103 ( -5.389 0.265 -11.447) 12.655 12.596 ( 2.703 18.260 15.404) 24.042 12.984 ( 18.222 -0.640 26.571) 32.226 13.258 ( 19.211 25.715 24.418) 40.331 13.927 ( 3.396 7.590 21.337) 22.900 14.490 ( 0.858 -15.815 11.888) 19.803 14.862 ( -4.358 -10.253 1.525) 11.245 15.083 ( -2.042 -22.413 10.498) 24.833 15.224 ( -7.171 -7.586 9.349) 14.013 15.447 ( -22.559 4.810 -21.761) 31.711 15.869 ( -10.487 -13.252 -14.746) 22.429 16.345 ( 16.507 5.549 -20.197) 26.668 16.635 ( 13.612 -6.183 -19.408) 24.499 19.034 ( 1.015 3.180 19.909) 20.187 19.134 ( -5.664 -0.012 11.173) 12.526 19.929 ( -3.901 11.742 -3.660) 12.903 20.238 ( -3.411 -2.701 -4.008) 5.916 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 15.134 6.488 10.459) 19.507 2.022 ( 7.628 12.821 9.607) 17.744 2.345 ( 2.585 -11.570 0.697) 11.876 2.477 ( 7.771 -7.086 -2.246) 10.754 2.776 ( -5.784 0.977 -6.149) 8.498 3.001 ( -7.556 -8.069 -3.881) 11.716 3.226 ( -5.617 1.507 -1.146) 5.927 3.364 ( -3.386 4.273 -1.301) 5.605 3.605 ( -7.398 -6.057 -4.394) 10.522 3.689 ( -0.982 2.289 -6.657) 7.108 3.780 ( -8.347 -1.092 -10.192) 13.219 3.898 ( -6.225 -1.402 -3.001) 7.052 4.689 ( 6.713 5.992 -0.648) 9.022 4.951 ( 6.346 -1.392 4.290) 7.785 5.280 ( 8.840 13.866 9.558) 19.020 5.480 ( 7.063 9.581 5.901) 13.285 5.703 ( 14.254 9.468 3.674) 17.502 5.806 ( 15.039 1.513 10.389) 18.341 5.932 ( 14.891 1.795 10.149) 18.110 6.088 ( 2.547 6.340 4.594) 8.234 6.156 ( 10.894 -5.565 5.843) 13.557 6.277 ( 11.704 -15.495 14.323) 24.129 6.798 ( 3.534 8.904 -1.804) 9.748 7.314 ( -1.793 -0.835 -4.186) 4.630 7.370 ( -9.204 1.243 -11.807) 15.023 7.506 ( -1.596 -3.136 -5.163) 6.248 7.664 ( -5.880 -16.208 -12.153) 21.095 7.809 ( -2.213 -13.302 -5.821) 14.688 8.202 ( 1.385 2.976 8.780) 9.373 8.351 ( 5.170 -1.895 6.261) 8.338 8.558 ( 4.541 1.530 0.218) 4.797 8.584 ( 1.276 -0.263 -0.148) 1.312 8.776 ( 14.137 11.560 -3.084) 18.520 9.184 ( 15.126 -5.409 -0.254) 16.066 9.374 ( 6.246 1.822 2.295) 6.899 9.594 ( 0.758 0.027 -0.791) 1.096 9.655 ( 4.148 -7.315 -0.161) 8.411 9.741 ( 0.366 -4.532 0.743) 4.607 10.211 ( 3.470 12.943 8.265) 15.744 10.464 ( 8.617 6.174 -8.204) 13.405 11.147 ( -2.671 -4.221 -7.723) 9.197 11.343 ( -2.585 -11.104 -16.894) 20.381 11.660 ( -10.823 9.909 -5.150) 15.551 11.986 ( -6.440 -2.316 -10.528) 12.557 12.684 ( 6.795 30.355 3.008) 31.252 13.422 ( 23.141 -0.186 19.904) 30.523 13.773 ( 29.794 13.010 29.049) 43.598 14.037 ( 7.323 1.187 17.550) 19.054 14.467 ( -5.655 -5.033 1.355) 7.690 14.740 ( -2.806 1.182 12.825) 13.181 14.938 ( -17.084 8.947 -9.242) 21.385 15.059 ( -5.316 -10.475 4.582) 12.609 15.214 ( 2.049 -29.300 6.108) 30.000 15.682 ( -8.440 -24.669 -10.695) 28.181 16.552 ( 3.027 5.378 -8.860) 10.797 16.821 ( 3.006 -5.918 -8.973) 11.161 19.026 ( -3.123 6.022 3.917) 7.833 19.093 ( 4.981 1.263 10.807) 11.966 19.814 ( -7.367 12.162 -5.065) 15.094 20.136 ( -6.690 -2.906 -4.942) 8.810 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 12.016 0.215 8.703) 14.838 2.167 ( 7.140 10.441 3.470) 13.116 2.432 ( 5.628 -6.972 3.524) 9.629 2.621 ( 4.042 -2.575 0.650) 4.836 2.750 ( 5.707 -5.462 -10.381) 13.045 2.796 ( -10.509 -8.503 -4.028) 14.106 3.109 ( -5.844 -2.203 -0.197) 6.248 3.278 ( -5.807 1.601 0.765) 6.072 3.460 ( -6.451 -6.694 -2.264) 9.568 3.591 ( -9.548 0.028 -7.314) 12.027 3.609 ( -6.109 -4.789 -5.945) 9.778 3.732 ( -9.322 -2.225 -3.523) 10.211 4.906 ( 13.086 7.196 -7.480) 16.703 5.138 ( 12.315 2.513 -1.840) 12.703 5.505 ( -3.474 12.089 1.728) 12.696 5.535 ( 16.377 13.578 5.298) 21.923 5.921 ( -5.581 -4.098 3.207) 7.631 5.979 ( 10.754 6.455 3.556) 13.037 6.168 ( 18.028 -0.211 11.687) 21.486 6.270 ( 8.175 -2.569 4.260) 9.570 6.406 ( 12.086 1.496 17.551) 21.362 6.609 ( 15.432 -11.026 14.300) 23.753 6.813 ( -2.949 17.229 -1.243) 17.524 6.961 ( -19.809 4.242 -22.678) 30.409 7.331 ( -1.218 -4.455 -4.842) 6.691 7.491 ( -4.285 -4.984 -8.191) 10.502 7.599 ( 4.035 -9.633 0.329) 10.450 7.836 ( 0.943 -14.817 0.266) 14.849 8.244 ( 3.278 1.695 10.747) 11.363 8.415 ( 1.551 -3.874 9.692) 10.552 8.540 ( -3.216 0.252 7.856) 8.493 8.575 ( -2.645 -2.237 3.966) 5.266 9.096 ( 13.433 17.402 -6.108) 22.816 9.327 ( 2.963 2.995 1.654) 4.526 9.520 ( 4.287 -2.785 -2.470) 5.678 9.595 ( -1.289 -1.791 3.070) 3.781 9.762 ( 6.486 -1.805 3.765) 7.713 9.985 ( 23.141 -9.457 -5.768) 25.656 10.261 ( 0.207 16.924 3.526) 17.289 10.624 ( 7.821 11.244 -9.280) 16.544 11.134 ( -0.371 -12.826 -5.909) 14.127 11.246 ( -5.519 -12.063 -15.282) 20.236 11.423 ( -11.984 10.060 -1.039) 15.681 11.825 ( -9.716 -5.708 -9.803) 14.935 12.893 ( 13.905 35.085 -5.057) 38.078 13.812 ( 11.699 7.678 10.122) 17.271 14.042 ( -9.456 12.803 -4.002) 16.412 14.342 ( 18.089 -8.371 16.060) 25.597 14.474 ( 14.653 -4.295 16.176) 22.244 14.641 ( -7.294 7.179 -1.142) 10.298 14.851 ( 11.219 -1.985 17.784) 21.120 14.941 ( -3.702 -7.504 4.830) 9.662 15.391 ( 13.973 -26.290 11.210) 31.813 15.516 ( -7.368 -30.550 -6.114) 32.015 16.448 ( -13.282 5.614 5.433) 15.409 16.720 ( -12.994 -5.990 5.030) 15.166 19.039 ( 4.652 10.568 -5.234) 12.677 19.251 ( 10.307 -0.681 0.771) 10.358 19.637 ( -9.940 12.553 -6.976) 17.466 19.970 ( -9.700 -3.059 -6.041) 11.830 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 4.898 4.204 5.042) 8.191 2.306 ( 4.192 -0.794 2.551) 4.971 2.500 ( 1.766 -6.535 1.506) 6.935 2.590 ( -7.332 -2.786 -3.017) 8.404 2.776 ( 10.381 -3.303 -0.881) 10.930 2.938 ( 8.970 -5.279 -0.559) 10.423 2.978 ( -6.993 -1.130 -2.997) 7.691 3.129 ( -8.465 -1.226 1.802) 8.741 3.383 ( -0.548 -4.502 -3.329) 5.626 3.431 ( -5.438 -1.271 -4.788) 7.356 3.502 ( -2.689 -7.985 -4.765) 9.680 3.555 ( -7.142 -5.977 -5.847) 10.996 5.158 ( 11.436 9.605 -4.065) 15.478 5.366 ( -8.887 12.408 0.139) 15.263 5.437 ( 15.961 -0.256 -6.898) 17.390 5.734 ( -11.946 -4.555 -2.822) 13.093 5.939 ( 21.569 10.398 -4.599) 24.383 6.174 ( 8.716 2.928 3.888) 9.983 6.293 ( -6.633 4.213 1.138) 7.940 6.415 ( -15.864 7.398 0.957) 17.531 6.487 ( 9.729 1.039 11.589) 15.167 6.603 ( -2.296 3.782 5.411) 6.990 6.822 ( 5.300 -6.824 8.837) 12.359 6.854 ( 1.016 1.200 1.365) 2.082 7.340 ( 2.591 -3.137 -6.248) 7.456 7.414 ( -3.892 0.109 -5.240) 6.528 7.705 ( 5.648 -8.098 3.101) 10.349 7.806 ( -3.763 -11.013 2.293) 11.862 8.342 ( 6.092 0.084 10.389) 12.043 8.436 ( 0.817 -3.269 9.806) 10.369 8.464 ( -4.162 -1.821 11.413) 12.284 8.493 ( -4.304 -3.274 7.638) 9.359 9.283 ( 5.834 11.855 -1.648) 13.315 9.352 ( -0.949 6.741 0.071) 6.807 9.555 ( 0.414 -2.109 -0.988) 2.366 9.570 ( -0.958 -3.595 3.890) 5.383 9.960 ( 11.883 8.191 0.934) 14.462 10.177 ( -8.273 16.750 -1.144) 18.716 10.474 ( 23.003 -9.235 -10.307) 26.846 10.786 ( 2.860 5.547 -6.794) 9.225 10.966 ( -8.098 -6.936 -8.159) 13.426 11.118 ( -12.034 6.778 -1.822) 13.931 11.374 ( 9.140 -10.831 -5.232) 15.107 11.602 ( -11.907 -9.168 -8.205) 17.122 13.227 ( 18.554 32.595 -10.883) 39.052 13.618 ( -19.352 24.903 -13.499) 34.306 14.129 ( 10.801 11.881 11.656) 19.841 14.351 ( -11.183 9.485 8.651) 17.025 14.601 ( 9.802 -14.987 7.291) 19.335 14.768 ( -6.633 -11.121 5.035) 13.893 14.959 ( 15.398 -29.263 1.027) 33.083 15.169 ( 0.062 -24.587 0.942) 24.605 15.504 ( 19.277 -5.121 15.840) 25.470 15.802 ( 24.141 -10.482 18.329) 32.072 16.044 ( -25.049 5.264 16.659) 30.540 16.328 ( -24.389 -6.198 15.114) 29.354 19.195 ( 10.016 12.520 -9.378) 18.575 19.410 ( -9.318 12.162 -9.240) 17.892 19.500 ( 10.805 -1.443 -4.729) 11.882 19.749 ( -12.016 -2.929 -6.499) 13.972 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 -13.945 1.810) 14.062 1.823 ( 0.000 13.945 1.810) 14.062 2.157 ( 0.000 -9.395 8.373) 12.585 2.157 ( 0.000 9.395 8.373) 12.585 3.058 ( 0.000 -0.269 -12.788) 12.791 3.058 ( 0.000 0.269 -12.788) 12.791 3.517 ( 0.000 -7.472 -0.275) 7.477 3.517 ( 0.000 7.472 -0.275) 7.477 3.738 ( 0.000 -2.563 -4.160) 4.886 3.738 ( 0.000 2.563 -4.160) 4.886 3.887 ( 0.000 -4.408 -14.735) 15.380 3.887 ( 0.000 4.408 -14.735) 15.380 4.728 ( 0.000 -1.902 16.648) 16.757 4.728 ( 0.000 1.902 16.648) 16.757 5.231 ( 0.000 -5.002 14.420) 15.263 5.231 ( 0.000 5.002 14.420) 15.263 5.365 ( 0.000 -5.829 7.369) 9.395 5.365 ( 0.000 5.829 7.369) 9.395 5.857 ( 0.000 -14.286 3.662) 14.748 5.857 ( 0.000 14.286 3.662) 14.748 6.051 ( 0.000 -19.579 2.319) 19.716 6.051 ( 0.000 19.579 2.319) 19.716 6.983 ( 0.000 -26.758 1.535) 26.802 6.983 ( 0.000 26.758 1.535) 26.802 7.222 ( 0.000 -2.672 -7.886) 8.326 7.222 ( 0.000 2.672 -7.886) 8.326 7.941 ( 0.000 -1.259 -4.424) 4.600 7.941 ( 0.000 1.259 -4.424) 4.600 8.157 ( 0.000 -1.680 -16.674) 16.758 8.157 ( 0.000 1.680 -16.674) 16.758 8.452 ( 0.000 -8.111 0.273) 8.115 8.452 ( 0.000 8.111 0.273) 8.115 8.610 ( 0.000 -4.030 11.034) 11.747 8.610 ( 0.000 4.030 11.034) 11.747 9.425 ( 0.000 -6.160 3.923) 7.303 9.425 ( 0.000 6.160 3.923) 7.303 9.699 ( 0.000 -4.612 -8.752) 9.892 9.699 ( 0.000 4.612 -8.752) 9.892 10.233 ( 0.000 -0.333 6.567) 6.576 10.233 ( 0.000 0.333 6.567) 6.576 11.267 ( 0.000 -1.400 -13.635) 13.707 11.267 ( 0.000 1.400 -13.635) 13.707 12.103 ( 0.000 -6.068 -14.304) 15.538 12.103 ( 0.000 6.068 -14.304) 15.538 12.717 ( 0.000 -5.832 31.127) 31.668 12.717 ( 0.000 5.832 31.127) 31.668 13.924 ( 0.000 -39.967 13.343) 42.136 13.924 ( 0.000 39.967 13.343) 42.136 14.208 ( 0.000 -21.458 13.353) 25.274 14.208 ( 0.000 21.458 13.353) 25.274 15.118 ( 0.000 -5.533 9.739) 11.201 15.118 ( 0.000 5.533 9.739) 11.201 15.995 ( 0.000 -1.926 -16.782) 16.892 15.995 ( 0.000 1.926 -16.782) 16.892 16.174 ( 0.000 -12.348 -29.244) 31.744 16.174 ( 0.000 12.348 -29.244) 31.744 19.119 ( 0.000 -4.344 19.152) 19.639 19.119 ( 0.000 4.344 19.152) 19.639 20.172 ( 0.000 -7.063 -3.394) 7.836 20.172 ( 0.000 7.063 -3.394) 7.836 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 7.217 -15.675 1.575) 17.328 1.906 ( 7.217 15.675 1.575) 17.328 2.182 ( 2.646 -10.347 7.378) 12.980 2.182 ( 2.646 10.347 7.378) 12.980 3.003 ( -5.485 -3.803 -10.759) 12.661 3.003 ( -5.485 3.803 -10.759) 12.661 3.448 ( -5.814 -6.664 -0.789) 8.879 3.448 ( -5.814 6.664 -0.789) 8.879 3.715 ( -2.649 -4.273 -6.080) 7.889 3.715 ( -2.649 4.273 -6.080) 7.889 3.893 ( -0.177 -2.919 -11.812) 12.168 3.893 ( -0.177 2.919 -11.812) 12.168 4.745 ( 1.855 -5.293 12.856) 14.026 4.745 ( 1.855 5.293 12.856) 14.026 5.337 ( 11.264 -9.310 12.822) 19.442 5.337 ( 11.264 9.310 12.822) 19.442 5.523 ( 12.717 -10.860 8.001) 18.538 5.523 ( 12.717 10.860 8.001) 18.538 5.863 ( 2.875 -10.718 6.542) 12.882 5.863 ( 2.875 10.718 6.542) 12.882 6.050 ( -0.536 -15.458 2.559) 15.678 6.050 ( -0.536 15.458 2.559) 15.678 7.027 ( 4.046 -23.873 2.201) 24.313 7.027 ( 4.046 23.873 2.201) 24.313 7.287 ( 5.828 -2.823 -6.660) 9.290 7.287 ( 5.828 2.823 -6.660) 9.290 7.874 ( -11.002 -4.017 -13.711) 18.032 7.874 ( -11.002 4.017 -13.711) 18.032 8.196 ( 5.873 -1.591 -4.233) 7.412 8.196 ( 5.873 1.591 -4.233) 7.412 8.475 ( 4.473 -4.594 -0.354) 6.421 8.475 ( 4.473 4.594 -0.354) 6.421 8.717 ( 9.294 -5.399 7.526) 13.122 8.717 ( 9.294 5.399 7.526) 13.122 9.437 ( 1.191 -6.828 3.675) 7.845 9.437 ( 1.191 6.828 3.675) 7.845 9.674 ( -2.067 -4.418 -6.763) 8.338 9.674 ( -2.067 4.418 -6.763) 8.338 10.299 ( 6.115 -3.492 5.076) 8.680 10.299 ( 6.115 3.492 5.076) 8.680 11.238 ( -2.841 -3.262 -14.488) 15.120 11.238 ( -2.841 3.262 -14.488) 15.120 12.025 ( -6.531 -6.654 -10.427) 13.987 12.025 ( -6.531 6.654 -10.427) 13.987 12.881 ( 14.568 -8.692 24.450) 29.759 12.881 ( 14.568 8.692 24.450) 29.759 13.966 ( 3.770 -30.212 15.202) 34.030 13.966 ( 3.770 30.212 15.202) 34.030 14.261 ( 5.887 -17.676 12.782) 22.594 14.261 ( 5.887 17.676 12.782) 22.594 15.062 ( -5.511 -6.400 10.089) 13.158 15.062 ( -5.511 6.400 10.089) 13.158 15.630 ( -20.864 -9.781 -21.026) 31.194 15.630 ( -20.864 9.781 -21.026) 31.194 16.486 ( 15.438 -7.206 -20.184) 26.413 16.486 ( 15.438 7.206 -20.184) 26.413 19.101 ( -1.269 -2.719 16.176) 16.452 19.101 ( -1.269 2.719 16.176) 16.452 20.135 ( -3.613 -7.180 -3.820) 8.900 20.135 ( -3.613 7.180 -3.820) 8.900 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 7.353 -12.850 3.069) 15.120 2.062 ( 7.353 12.850 3.069) 15.120 2.288 ( 8.332 -10.693 3.786) 14.074 2.288 ( 8.332 10.693 3.786) 14.074 2.846 ( -9.284 -5.515 -7.402) 13.092 2.846 ( -9.284 5.515 -7.402) 13.092 3.314 ( -7.103 -6.320 -0.850) 9.545 3.314 ( -7.103 6.320 -0.850) 9.545 3.625 ( -6.146 -5.548 -6.900) 10.778 3.625 ( -6.146 5.548 -6.900) 10.778 3.836 ( -6.113 -4.192 -6.766) 10.035 3.836 ( -6.113 4.192 -6.766) 10.035 4.838 ( 8.152 -7.158 1.845) 11.004 4.838 ( 8.152 7.158 1.845) 11.004 5.588 ( 9.823 -5.226 7.439) 13.385 5.588 ( 9.823 5.226 7.439) 13.385 5.809 ( 16.286 -13.801 14.026) 25.543 5.809 ( 16.286 13.801 14.026) 25.543 6.005 ( -0.002 -7.045 -0.819) 7.093 6.005 ( -0.002 7.045 -0.819) 7.093 6.086 ( 15.094 -3.680 13.377) 20.502 6.086 ( 15.094 3.680 13.377) 20.502 7.134 ( 5.847 -18.271 1.516) 19.243 7.134 ( 5.847 18.271 1.516) 19.243 7.404 ( 2.208 -4.220 -4.856) 6.802 7.404 ( 2.208 4.220 -4.856) 6.802 7.570 ( -13.928 -8.396 -16.481) 23.154 7.570 ( -13.928 8.396 -16.481) 23.154 8.280 ( 2.122 -3.974 9.621) 10.623 8.280 ( 2.122 3.974 9.621) 10.623 8.573 ( 2.105 -0.876 -0.535) 2.342 8.573 ( 2.105 0.876 -0.535) 2.342 9.027 ( 20.737 -9.646 -1.078) 22.896 9.027 ( 20.737 9.646 -1.078) 22.896 9.472 ( 2.122 -7.270 2.179) 7.880 9.472 ( 2.122 7.270 2.179) 7.880 9.642 ( -0.087 -3.561 -2.300) 4.240 9.642 ( -0.087 3.561 -2.300) 4.240 10.461 ( 9.471 -7.692 2.357) 12.426 10.461 ( 9.471 7.692 2.357) 12.426 11.148 ( -6.194 -5.571 -15.456) 17.559 11.148 ( -6.194 5.571 -15.456) 17.559 11.866 ( -9.080 -8.325 -7.018) 14.177 11.866 ( -9.080 8.325 -7.018) 14.177 13.241 ( 19.889 -18.078 12.382) 29.593 13.241 ( 19.889 18.078 12.382) 29.593 14.057 ( 4.949 -7.799 16.073) 18.538 14.057 ( 4.949 7.799 16.073) 18.538 14.473 ( 14.853 -18.251 14.312) 27.542 14.473 ( 14.853 18.251 14.312) 27.542 14.907 ( -8.750 -8.378 10.766) 16.207 14.907 ( -8.750 8.378 10.766) 16.207 15.249 ( -16.438 -15.222 -17.619) 28.501 15.249 ( -16.438 15.222 -17.619) 28.501 16.683 ( 2.978 -6.565 -8.855) 11.418 16.683 ( 2.978 6.565 -8.855) 11.418 19.099 ( 1.948 -1.156 7.799) 8.122 19.099 ( 1.948 1.156 7.799) 8.122 20.028 ( -6.961 -7.463 -4.963) 11.348 20.028 ( -6.961 7.463 -4.963) 11.348 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 7.026 -5.553 3.846) 9.746 2.205 ( 7.026 5.553 3.846) 9.746 2.473 ( 6.438 -9.990 4.954) 12.876 2.473 ( 6.438 9.990 4.954) 12.876 2.695 ( -2.206 -1.526 -7.978) 8.417 2.695 ( -2.206 1.526 -7.978) 8.417 3.169 ( -6.966 -6.620 0.435) 9.620 3.169 ( -6.966 6.620 0.435) 9.620 3.480 ( -7.569 -4.996 -5.889) 10.813 3.480 ( -7.569 4.996 -5.889) 10.813 3.660 ( -10.363 -3.932 -5.020) 12.168 3.660 ( -10.363 3.932 -5.020) 12.168 5.065 ( 13.449 -6.793 -6.152) 16.275 5.065 ( 13.449 6.793 -6.152) 16.275 5.718 ( 1.060 -5.814 5.225) 7.888 5.718 ( 1.060 5.814 5.225) 7.888 5.928 ( 2.661 -9.142 2.077) 9.745 5.928 ( 2.661 9.142 2.077) 9.745 6.233 ( 17.985 -4.282 12.474) 22.302 6.233 ( 17.985 4.282 12.474) 22.302 6.415 ( 13.399 -2.669 13.505) 19.211 6.415 ( 13.399 2.669 13.505) 19.211 7.060 ( -17.150 -5.779 -17.309) 25.043 7.060 ( -17.150 5.779 -17.309) 25.043 7.336 ( 5.083 -13.781 4.374) 15.325 7.336 ( 5.083 13.781 4.374) 15.325 7.557 ( 2.759 -8.096 -5.147) 9.982 7.557 ( 2.759 8.096 -5.147) 9.982 8.312 ( 1.635 -4.507 12.629) 13.509 8.312 ( 1.635 4.507 12.629) 13.509 8.551 ( -3.536 -0.715 5.494) 6.572 8.551 ( -3.536 0.715 5.494) 6.572 9.367 ( 8.818 -2.824 -0.324) 9.265 9.367 ( 8.818 2.824 -0.324) 9.265 9.502 ( 0.096 -4.950 -2.026) 5.350 9.502 ( 0.096 4.950 -2.026) 5.350 9.786 ( 17.186 -5.753 -1.619) 18.196 9.786 ( 17.186 5.753 -1.619) 18.196 10.655 ( 7.633 -15.445 -0.940) 17.254 10.655 ( 7.633 15.445 -0.940) 17.254 11.003 ( -6.167 -8.634 -13.871) 17.464 11.003 ( -6.167 8.634 -13.871) 17.464 11.652 ( -12.223 -10.055 -4.874) 16.561 11.652 ( -12.223 10.055 -4.874) 16.561 13.643 ( 19.097 -29.972 0.426) 35.542 13.643 ( 19.097 29.972 0.426) 35.542 14.168 ( 5.932 -6.122 11.498) 14.313 14.168 ( 5.932 6.122 11.498) 14.313 14.594 ( -8.109 -13.644 4.920) 16.616 14.594 ( -8.109 13.644 4.920) 16.616 14.910 ( -5.238 -1.484 1.588) 5.671 14.910 ( -5.238 1.484 1.588) 5.671 15.046 ( 15.686 -3.176 10.792) 19.303 15.046 ( 15.686 3.176 10.792) 19.303 16.582 ( -12.982 -6.625 5.104) 15.443 16.582 ( -12.982 6.625 5.104) 15.443 19.200 ( 7.941 -4.569 -1.657) 9.310 19.200 ( 7.941 4.569 -1.657) 9.310 19.858 ( -9.777 -7.695 -6.441) 14.010 19.858 ( -9.777 7.695 -6.441) 14.010 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.337 ( 5.877 -3.781 3.681) 7.898 2.337 ( 5.877 3.781 3.681) 7.898 2.447 ( -5.012 -6.466 3.426) 8.869 2.447 ( -5.012 6.466 3.426) 8.869 2.835 ( 11.106 -5.047 -2.805) 12.517 2.835 ( 11.106 5.047 -2.805) 12.517 3.032 ( -7.558 -5.323 -0.264) 9.248 3.032 ( -7.558 5.323 -0.264) 9.248 3.371 ( -1.276 -2.956 -5.029) 5.971 3.371 ( -1.276 2.956 -5.029) 5.971 3.457 ( -8.592 -2.929 -5.801) 10.773 3.457 ( -8.592 2.929 -5.801) 10.773 5.345 ( 13.569 -7.305 -5.934) 16.513 5.345 ( 13.569 7.305 -5.934) 16.513 5.593 ( -10.504 -8.613 -0.988) 13.620 5.593 ( -10.504 8.613 -0.988) 13.620 6.133 ( 14.688 -6.085 0.694) 15.913 6.133 ( 14.688 6.085 0.694) 15.913 6.410 ( -7.367 -4.757 7.244) 11.374 6.410 ( -7.367 4.757 7.244) 11.374 6.609 ( 9.439 -9.979 8.216) 16.006 6.609 ( 9.439 9.979 8.216) 16.006 6.770 ( -8.282 -7.883 -4.950) 12.459 6.770 ( -8.282 7.883 -4.950) 12.459 7.465 ( 6.286 -10.984 2.527) 12.905 7.465 ( 6.286 10.984 2.527) 12.905 7.561 ( -2.579 -8.499 -1.323) 8.979 7.561 ( -2.579 8.499 -1.323) 8.979 8.364 ( 3.704 -2.256 11.987) 12.748 8.364 ( 3.704 2.256 11.987) 12.748 8.457 ( -5.151 -0.823 9.390) 10.741 8.457 ( -5.151 0.823 9.390) 10.741 9.454 ( 2.107 -3.992 2.405) 5.114 9.454 ( 2.107 3.992 2.405) 5.114 9.486 ( -1.279 -3.527 0.307) 3.764 9.486 ( -1.279 3.527 0.307) 3.764 10.207 ( 21.110 -13.499 -7.440) 26.138 10.207 ( 21.110 13.499 -7.440) 26.138 10.577 ( -14.299 -18.347 -8.871) 24.895 10.577 ( -14.299 18.347 -8.871) 24.895 11.083 ( 12.770 -12.242 -5.016) 18.388 11.083 ( 12.770 12.242 -5.016) 18.388 11.376 ( -14.791 -11.125 -3.823) 18.898 11.376 ( -14.791 11.125 -3.823) 18.898 13.990 ( 14.951 -32.990 -3.570) 36.396 13.990 ( 14.951 32.990 -3.570) 36.396 14.220 ( -5.325 -19.627 0.247) 20.339 14.220 ( -5.325 19.627 0.247) 20.339 14.484 ( 3.148 -11.750 5.463) 13.335 14.484 ( 3.148 11.750 5.463) 13.335 14.672 ( -12.224 -10.571 -1.870) 16.268 14.672 ( -12.224 10.571 -1.870) 16.268 15.603 ( 30.509 -8.123 21.742) 38.334 15.603 ( 30.509 8.123 21.742) 38.334 16.183 ( -25.459 -7.014 15.913) 30.832 16.183 ( -25.459 7.014 15.913) 30.832 19.402 ( 11.457 -6.661 -6.697) 14.849 19.402 ( 11.457 6.661 -6.697) 14.849 19.639 ( -11.602 -7.555 -7.516) 15.754 19.639 ( -11.602 7.555 -7.516) 15.754 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 0.000 21.617) 21.617 1.973 ( 0.000 0.000 24.981) 24.981 2.464 ( 0.000 0.000 -2.672) 2.672 2.469 ( 0.000 0.000 -1.410) 1.410 2.707 ( 0.000 0.000 0.454) 0.454 3.073 ( 0.000 0.000 9.204) 9.204 3.304 ( 0.000 0.000 1.059) 1.059 3.430 ( 0.000 0.000 -3.574) 3.574 3.570 ( 0.000 0.000 -6.706) 6.706 3.726 ( 0.000 0.000 -0.403) 0.403 3.786 ( 0.000 0.000 -9.490) 9.490 4.042 ( 0.000 0.000 -2.666) 2.666 4.828 ( 0.000 0.000 1.924) 1.924 4.944 ( 0.000 0.000 2.216) 2.216 5.074 ( 0.000 0.000 9.310) 9.310 5.260 ( 0.000 0.000 18.389) 18.389 5.319 ( 0.000 0.000 11.345) 11.345 5.389 ( 0.000 0.000 17.303) 17.303 5.483 ( 0.000 0.000 5.438) 5.438 5.510 ( 0.000 0.000 -1.518) 1.518 6.447 ( 0.000 0.000 -9.320) 9.320 6.589 ( 0.000 0.000 26.806) 26.806 6.765 ( 0.000 0.000 -8.681) 8.681 6.779 ( 0.000 0.000 -23.221) 23.221 7.484 ( 0.000 0.000 -29.927) 29.927 7.611 ( 0.000 0.000 0.960) 0.960 7.798 ( 0.000 0.000 -2.433) 2.433 7.896 ( 0.000 0.000 -14.701) 14.701 7.944 ( 0.000 0.000 9.670) 9.670 8.227 ( 0.000 0.000 -0.681) 0.681 8.246 ( 0.000 0.000 -2.305) 2.305 8.311 ( 0.000 0.000 7.123) 7.123 8.622 ( 0.000 0.000 -11.196) 11.196 9.080 ( 0.000 0.000 8.258) 8.258 9.350 ( 0.000 0.000 -14.709) 14.709 9.457 ( 0.000 0.000 1.498) 1.498 9.601 ( 0.000 0.000 -3.830) 3.830 9.822 ( 0.000 0.000 -11.899) 11.899 10.088 ( 0.000 0.000 21.354) 21.354 10.352 ( 0.000 0.000 21.522) 21.522 11.186 ( 0.000 0.000 -5.409) 5.409 11.187 ( 0.000 0.000 -14.294) 14.294 11.495 ( 0.000 0.000 -12.196) 12.196 11.642 ( 0.000 0.000 -15.598) 15.598 12.601 ( 0.000 0.000 23.150) 23.150 13.142 ( 0.000 0.000 42.031) 42.031 13.452 ( 0.000 0.000 34.855) 34.855 14.312 ( 0.000 0.000 25.180) 25.180 14.658 ( 0.000 0.000 -40.309) 40.309 14.982 ( 0.000 0.000 -7.761) 7.761 15.161 ( 0.000 0.000 14.752) 14.752 15.445 ( 0.000 0.000 -26.604) 26.604 15.693 ( 0.000 0.000 -21.803) 21.803 15.823 ( 0.000 0.000 -4.866) 4.866 16.238 ( 0.000 0.000 4.942) 4.942 16.541 ( 0.000 0.000 -4.331) 4.331 19.278 ( 0.000 0.000 2.192) 2.192 19.424 ( 0.000 0.000 20.920) 20.920 19.498 ( 0.000 0.000 -4.165) 4.165 20.199 ( 0.000 0.000 -6.459) 6.459 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 9.771 0.000 20.090) 22.341 2.056 ( 7.962 0.000 23.020) 24.358 2.383 ( -0.492 0.000 -6.189) 6.209 2.611 ( 4.695 0.000 -0.615) 4.735 2.739 ( 2.953 0.000 0.958) 3.104 3.113 ( 2.674 0.000 8.072) 8.504 3.206 ( -4.950 0.000 2.641) 5.611 3.383 ( -3.417 0.000 -10.977) 11.497 3.559 ( -1.616 0.000 -7.603) 7.773 3.695 ( -3.528 0.000 0.940) 3.651 3.741 ( -4.403 0.000 -9.693) 10.646 4.000 ( -3.611 0.000 -2.513) 4.399 4.817 ( -1.183 0.000 2.557) 2.818 4.831 ( -11.808 0.000 17.359) 20.994 5.006 ( 3.586 0.000 -0.949) 3.710 5.272 ( 5.450 0.000 10.452) 11.787 5.357 ( 3.251 0.000 13.328) 13.719 5.604 ( 12.785 0.000 8.325) 15.257 5.721 ( 20.607 0.000 9.749) 22.796 5.798 ( 20.708 0.000 6.563) 21.723 6.354 ( -4.682 0.000 -5.942) 7.565 6.563 ( 0.193 0.000 19.695) 19.696 6.649 ( -5.446 0.000 -16.808) 17.668 7.115 ( 20.813 0.000 -15.163) 25.750 7.387 ( -22.268 0.000 -12.687) 25.629 7.500 ( 1.734 0.000 -25.896) 25.954 7.737 ( 5.426 0.000 3.666) 6.549 7.999 ( 4.364 0.000 9.727) 10.661 8.129 ( 10.607 0.000 0.936) 10.648 8.214 ( -0.114 0.000 0.881) 0.889 8.255 ( 2.411 0.000 -4.754) 5.330 8.377 ( 5.443 0.000 0.549) 5.471 8.697 ( 6.423 0.000 -10.791) 12.558 9.165 ( 4.976 0.000 1.279) 5.137 9.240 ( -6.337 0.000 -8.176) 10.344 9.522 ( 6.864 0.000 1.994) 7.148 9.659 ( 5.533 0.000 -2.412) 6.036 9.789 ( -2.788 0.000 -2.870) 4.001 10.155 ( 4.241 0.000 10.757) 11.563 10.346 ( -0.410 0.000 20.822) 20.826 11.190 ( 0.551 0.000 -13.427) 13.438 11.216 ( 2.095 0.000 -6.855) 7.168 11.468 ( -1.670 0.000 -9.190) 9.340 11.594 ( -3.945 0.000 -13.726) 14.282 12.345 ( -16.803 0.000 19.879) 26.029 13.539 ( 30.083 0.000 39.941) 50.003 13.585 ( 11.771 0.000 32.114) 34.204 14.298 ( -27.359 0.000 -37.429) 46.362 14.378 ( 7.096 0.000 24.344) 25.357 14.939 ( -4.358 0.000 -5.834) 7.282 15.170 ( 1.035 0.000 15.064) 15.099 15.408 ( -13.621 0.000 -4.868) 14.465 15.747 ( 21.451 0.000 -26.480) 34.078 16.189 ( 21.539 0.000 -19.937) 29.350 16.252 ( 1.289 0.000 4.729) 4.902 16.536 ( -0.476 0.000 -3.955) 3.983 19.123 ( -14.292 0.000 4.329) 14.933 19.400 ( -2.152 0.000 19.538) 19.656 19.435 ( -6.196 0.000 -5.153) 8.059 20.160 ( -3.779 0.000 -6.753) 7.738 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 2.766 0.000 15.352) 15.599 2.274 ( 12.824 0.000 18.350) 22.387 2.457 ( 6.653 0.000 -10.122) 12.113 2.603 ( -3.966 0.000 0.522) 4.000 2.815 ( 4.248 0.000 2.401) 4.879 2.996 ( -7.982 0.000 -1.373) 8.099 3.265 ( -2.379 0.000 -3.058) 3.874 3.402 ( 6.691 0.000 -15.443) 16.831 3.490 ( -5.134 0.000 -7.893) 9.416 3.613 ( -8.017 0.000 -9.656) 12.550 3.649 ( 4.320 0.000 9.886) 10.788 3.932 ( -2.198 0.000 -1.329) 2.569 4.685 ( -3.578 0.000 15.479) 15.887 4.784 ( -1.763 0.000 2.386) 2.967 5.018 ( -2.254 0.000 -3.612) 4.257 5.409 ( 1.557 0.000 12.487) 12.583 5.456 ( 12.129 0.000 6.702) 13.857 5.991 ( 23.578 0.000 11.451) 26.212 6.102 ( 8.063 0.000 -3.486) 8.784 6.179 ( 19.818 0.000 6.163) 20.754 6.293 ( -2.215 0.000 2.620) 3.431 6.568 ( 1.685 0.000 -4.112) 4.444 6.670 ( 7.895 0.000 7.805) 11.102 6.917 ( -21.147 0.000 -13.414) 25.043 7.460 ( 10.419 0.000 -6.596) 12.332 7.563 ( 4.705 0.000 -18.898) 19.475 7.831 ( 3.155 0.000 6.816) 7.511 8.097 ( 6.441 0.000 4.388) 7.794 8.242 ( 0.349 0.000 2.671) 2.694 8.296 ( 6.807 0.000 1.673) 7.010 8.366 ( 8.695 0.000 -1.486) 8.821 8.526 ( 8.844 0.000 -2.874) 9.299 8.822 ( 4.773 0.000 -7.687) 9.049 9.017 ( -9.205 0.000 -13.349) 16.215 9.387 ( 10.310 0.000 3.984) 11.052 9.737 ( 12.846 0.000 3.346) 13.275 9.746 ( 0.150 0.000 4.421) 4.423 9.813 ( 9.896 0.000 1.068) 9.954 10.182 ( -2.167 0.000 2.117) 3.029 10.347 ( 0.981 0.000 18.818) 18.843 11.151 ( -5.710 0.000 -18.621) 19.477 11.280 ( 4.657 0.000 -1.131) 4.792 11.479 ( 3.017 0.000 -6.657) 7.309 11.534 ( -0.567 0.000 -13.740) 13.752 12.017 ( -15.747 0.000 12.258) 19.956 13.702 ( -30.361 0.000 -34.910) 46.265 13.843 ( 11.851 0.000 26.356) 28.898 14.219 ( 35.811 0.000 37.332) 51.731 14.623 ( 16.599 0.000 19.972) 25.969 14.804 ( -8.793 0.000 0.243) 8.797 15.177 ( -4.086 0.000 4.283) 5.919 15.257 ( 3.884 0.000 14.501) 15.012 16.132 ( 14.133 0.000 -20.341) 24.769 16.293 ( 3.195 0.000 4.472) 5.496 16.524 ( -0.624 0.000 -2.822) 2.890 16.606 ( 18.514 0.000 -20.390) 27.541 18.765 ( -19.268 0.000 5.807) 20.124 19.254 ( -11.422 0.000 -7.828) 13.847 19.353 ( -1.911 0.000 14.880) 15.002 20.048 ( -7.292 0.000 -7.447) 10.422 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 3.512 0.000 6.857) 7.704 2.486 ( -6.165 0.000 -5.652) 8.364 2.541 ( 12.798 0.000 13.320) 18.472 2.597 ( 4.709 0.000 -8.252) 9.501 2.858 ( -5.654 0.000 -4.774) 7.400 2.888 ( 2.299 0.000 4.529) 5.079 3.186 ( -2.871 0.000 -1.676) 3.325 3.373 ( -5.616 0.000 -7.158) 9.099 3.387 ( -4.588 0.000 -9.663) 10.697 3.439 ( -8.342 0.000 -8.420) 11.853 3.884 ( 7.145 0.000 3.611) 8.006 3.957 ( 7.664 0.000 3.877) 8.589 4.691 ( 6.108 0.000 4.008) 7.306 4.759 ( -0.490 0.000 0.555) 0.740 4.938 ( -5.088 0.000 -3.786) 6.342 5.463 ( 5.078 0.000 4.938) 7.083 5.706 ( 8.568 0.000 -2.787) 9.009 5.988 ( -13.201 0.000 -9.025) 15.991 6.240 ( 1.614 0.000 -4.099) 4.405 6.380 ( -19.133 0.000 -22.309) 29.390 6.478 ( 18.557 0.000 19.138) 26.657 6.564 ( 13.758 0.000 12.780) 18.778 6.777 ( 14.179 0.000 16.286) 21.594 6.955 ( 9.533 0.000 7.738) 12.278 7.556 ( 1.415 0.000 -8.859) 8.971 7.651 ( 3.007 0.000 -2.004) 3.613 7.882 ( 2.848 0.000 6.088) 6.721 8.204 ( -3.723 0.000 -0.934) 3.838 8.253 ( 7.383 0.000 -0.909) 7.439 8.436 ( 6.587 0.000 1.940) 6.867 8.542 ( 8.517 0.000 5.556) 10.169 8.663 ( 2.567 0.000 -2.579) 3.639 8.872 ( 0.108 0.000 -2.679) 2.681 8.880 ( -3.426 0.000 -9.855) 10.433 9.545 ( 5.586 0.000 4.355) 7.083 9.865 ( 9.537 0.000 8.579) 12.828 9.921 ( 6.181 0.000 9.306) 11.172 10.053 ( 8.448 0.000 4.941) 9.787 10.099 ( -2.995 0.000 -6.385) 7.052 10.448 ( 12.046 0.000 12.517) 17.372 10.964 ( -12.410 0.000 -14.986) 19.457 11.395 ( 6.141 0.000 -2.826) 6.760 11.548 ( 2.730 0.000 -8.430) 8.861 11.577 ( -2.629 0.000 -16.107) 16.321 11.740 ( -3.911 0.000 4.138) 5.694 13.091 ( -29.780 0.000 -31.482) 43.335 14.046 ( 8.763 0.000 21.602) 23.312 14.604 ( -10.343 0.000 7.679) 12.882 14.918 ( 9.245 0.000 7.598) 11.966 14.950 ( 35.572 0.000 31.008) 47.190 15.103 ( -2.411 0.000 1.768) 2.990 15.550 ( 24.926 0.000 26.162) 36.135 16.240 ( -1.808 0.000 -6.092) 6.355 16.392 ( 4.032 0.000 1.989) 4.496 16.518 ( -0.102 0.000 -0.946) 0.952 16.863 ( 4.256 0.000 -7.398) 8.535 18.434 ( -10.737 0.000 -1.309) 10.817 18.985 ( -14.940 0.000 -11.477) 18.839 19.351 ( 2.356 0.000 6.641) 7.046 19.871 ( -10.004 0.000 -7.892) 12.742 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 8.363 0.000 -1.334) 8.469 2.321 ( -9.721 0.000 -6.471) 11.678 2.677 ( 3.691 0.000 -7.609) 8.457 2.759 ( -4.431 0.000 -6.633) 7.977 2.763 ( 8.688 0.000 9.288) 12.718 2.883 ( -3.129 0.000 6.660) 7.358 3.192 ( 3.181 0.000 -0.700) 3.257 3.284 ( -5.246 0.000 -4.708) 7.049 3.293 ( -1.753 0.000 -6.608) 6.837 3.312 ( -3.685 0.000 -7.009) 7.918 3.967 ( 4.144 0.000 4.470) 6.095 4.040 ( -1.584 0.000 7.448) 7.615 4.770 ( 1.814 0.000 -1.332) 2.250 4.836 ( -4.527 0.000 -2.846) 5.347 4.987 ( 21.466 0.000 -11.891) 24.540 5.458 ( -23.216 0.000 -19.876) 30.562 5.640 ( 12.517 0.000 -4.873) 13.432 5.961 ( -18.891 0.000 -13.035) 22.951 6.056 ( 10.435 0.000 7.775) 13.013 6.215 ( -4.613 0.000 2.473) 5.234 6.814 ( 10.798 0.000 11.223) 15.574 6.846 ( 14.394 0.000 12.940) 19.355 6.943 ( 0.115 0.000 12.218) 12.218 7.029 ( -3.010 0.000 10.201) 10.636 7.595 ( 3.538 0.000 -1.858) 3.996 7.665 ( -1.941 0.000 0.890) 2.136 7.972 ( 5.982 0.000 2.738) 6.579 8.101 ( -6.191 0.000 -0.087) 6.192 8.374 ( 5.243 0.000 -1.649) 5.496 8.476 ( -3.818 0.000 -1.252) 4.018 8.706 ( 7.428 0.000 5.953) 9.519 8.719 ( 5.975 0.000 -1.827) 6.248 8.828 ( -4.338 0.000 2.465) 4.989 8.831 ( -3.708 0.000 -2.580) 4.517 9.674 ( 7.705 0.000 6.659) 10.183 9.842 ( -8.071 0.000 9.219) 12.253 10.022 ( 4.155 0.000 12.437) 13.113 10.091 ( -2.218 0.000 11.761) 11.969 10.299 ( 17.900 0.000 -11.603) 21.332 10.663 ( -17.028 0.000 -12.128) 20.905 10.824 ( 21.939 0.000 3.949) 22.291 11.260 ( -20.412 0.000 0.753) 20.426 11.507 ( 4.567 0.000 -6.236) 7.730 11.567 ( -1.097 0.000 -8.433) 8.505 12.009 ( 21.459 0.000 -20.799) 29.884 12.511 ( -27.303 0.000 -27.191) 38.533 14.218 ( 8.610 0.000 17.577) 19.572 14.401 ( -9.591 0.000 13.051) 16.196 15.024 ( 2.897 0.000 3.721) 4.716 15.066 ( -1.625 0.000 2.563) 3.034 15.613 ( 28.888 0.000 20.667) 35.520 16.072 ( -15.641 0.000 6.152) 16.808 16.152 ( 31.180 0.000 23.466) 39.024 16.447 ( 2.384 0.000 3.364) 4.123 16.495 ( -2.166 0.000 2.195) 3.084 16.697 ( -20.084 0.000 12.957) 23.901 18.412 ( 8.044 0.000 -13.351) 15.587 18.670 ( -15.437 0.000 -14.771) 21.365 19.459 ( 8.098 0.000 -1.955) 8.331 19.656 ( -10.794 0.000 -6.726) 12.718 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 8.864 19.338) 21.273 1.874 ( 0.000 -6.005 24.755) 25.473 2.380 ( 0.000 -6.952 -2.648) 7.439 2.529 ( 0.000 2.875 0.496) 2.917 2.796 ( 0.000 6.535 -0.197) 6.538 3.099 ( 0.000 1.068 1.626) 1.946 3.316 ( 0.000 -7.320 -4.184) 8.432 3.317 ( 0.000 -1.855 -11.169) 11.322 3.454 ( 0.000 -9.587 3.927) 10.360 3.583 ( 0.000 -0.021 -8.883) 8.883 3.931 ( 0.000 2.302 -7.914) 8.242 3.953 ( 0.000 -7.052 -5.091) 8.698 4.965 ( 0.000 12.026 6.898) 13.864 5.017 ( 0.000 5.275 3.954) 6.592 5.084 ( 0.000 -0.314 12.969) 12.973 5.211 ( 0.000 -5.712 14.416) 15.506 5.362 ( 0.000 11.148 12.256) 16.567 5.443 ( 0.000 0.652 10.852) 10.872 5.518 ( 0.000 3.434 6.483) 7.337 5.696 ( 0.000 17.565 5.180) 18.313 6.450 ( 0.000 -0.789 -6.327) 6.376 6.508 ( 0.000 -7.879 26.277) 27.433 6.688 ( 0.000 -5.999 -6.639) 8.948 6.779 ( 0.000 1.237 -22.485) 22.519 7.497 ( 0.000 0.465 -23.661) 23.665 7.672 ( 0.000 -9.561 -1.032) 9.616 7.715 ( 0.000 6.088 -4.172) 7.380 7.830 ( 0.000 -6.835 -12.060) 13.862 7.900 ( 0.000 -2.426 -2.224) 3.292 8.121 ( 0.000 -9.909 -4.554) 10.905 8.239 ( 0.000 0.251 -0.329) 0.414 8.470 ( 0.000 12.893 11.735) 17.434 8.565 ( 0.000 -4.189 -10.593) 11.391 9.013 ( 0.000 -4.255 8.733) 9.715 9.276 ( 0.000 -0.690 -3.913) 3.973 9.607 ( 0.000 -0.395 -2.934) 2.961 9.719 ( 0.000 15.426 -7.307) 17.069 9.767 ( 0.000 -4.731 -10.768) 11.761 10.014 ( 0.000 -6.272 19.868) 20.835 10.375 ( 0.000 2.196 19.108) 19.234 11.147 ( 0.000 -3.397 -13.750) 14.164 11.152 ( 0.000 -1.907 -5.117) 5.461 11.539 ( 0.000 4.040 -12.781) 13.404 11.743 ( 0.000 6.436 -17.553) 18.696 12.784 ( 0.000 17.509 23.946) 29.664 13.191 ( 0.000 4.261 41.342) 41.561 13.477 ( 0.000 2.137 34.642) 34.708 14.303 ( 0.000 -0.455 24.300) 24.304 14.681 ( 0.000 1.246 -30.042) 30.068 15.049 ( 0.000 4.864 -10.640) 11.699 15.105 ( 0.000 -3.128 10.520) 10.975 15.466 ( 0.000 1.838 -26.206) 26.271 15.679 ( 0.000 -1.281 -22.010) 22.047 15.725 ( 0.000 -8.672 -1.479) 8.797 15.946 ( 0.000 -25.317 5.861) 25.987 16.362 ( 0.000 -14.793 -8.637) 17.130 19.338 ( 0.000 4.443 4.188) 6.106 19.408 ( 0.000 0.215 17.189) 17.190 19.651 ( 0.000 11.145 -1.401) 11.233 20.199 ( 0.000 -0.136 -6.296) 6.297 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 7.501 6.107 18.914) 21.244 1.962 ( 9.392 -4.480 20.454) 22.949 2.363 ( 0.387 -4.035 -3.821) 5.571 2.559 ( 0.404 -1.887 0.088) 1.932 2.824 ( 1.427 3.259 1.892) 4.029 3.116 ( 2.178 -0.253 1.289) 2.543 3.214 ( -6.955 -2.843 -1.580) 7.678 3.306 ( 0.102 -2.000 -17.296) 17.412 3.441 ( -1.916 -8.431 2.315) 8.950 3.584 ( -0.878 -0.993 -9.665) 9.755 3.860 ( -5.941 -0.631 -5.996) 8.464 3.914 ( -3.899 -4.329 -6.158) 8.477 4.863 ( -8.974 3.985 19.670) 21.984 4.976 ( -1.189 12.819 5.295) 13.920 5.147 ( 9.201 9.300 2.843) 13.387 5.302 ( 3.450 -2.687 13.393) 14.089 5.372 ( 4.454 7.482 6.824) 11.063 5.675 ( 13.864 1.061 4.650) 14.661 5.738 ( 19.692 0.512 12.643) 23.407 5.820 ( 13.188 10.497 9.733) 19.464 6.332 ( -6.895 -2.665 -0.337) 7.399 6.538 ( 3.794 -3.124 16.407) 17.127 6.623 ( -2.928 -1.789 -12.716) 13.170 7.054 ( 18.027 -3.943 -15.210) 23.914 7.396 ( -20.032 -0.364 -14.656) 24.824 7.493 ( -2.296 -0.253 -22.220) 22.340 7.704 ( 1.724 -7.592 1.951) 8.026 7.943 ( 11.988 0.522 0.067) 12.000 8.060 ( 4.131 -9.771 -2.844) 10.983 8.171 ( 8.653 -1.993 -1.917) 9.084 8.332 ( 6.217 -1.629 -1.181) 6.534 8.443 ( -1.152 13.848 7.790) 15.930 8.611 ( 4.050 -5.773 -9.331) 11.696 9.109 ( 8.155 -3.752 6.086) 10.845 9.261 ( -1.262 1.900 -4.826) 5.338 9.648 ( -0.734 4.086 -3.492) 5.424 9.658 ( 3.994 -0.864 -1.912) 4.512 9.791 ( -0.252 3.915 -1.410) 4.169 10.085 ( 4.816 -5.418 8.670) 11.302 10.375 ( -0.060 2.764 18.365) 18.572 11.151 ( 0.253 -3.938 -3.967) 5.595 11.162 ( 0.788 -3.021 -15.530) 15.840 11.505 ( -2.787 3.763 -9.823) 10.882 11.711 ( -2.721 7.083 -16.191) 17.881 12.515 ( -16.080 16.245 21.719) 31.531 13.574 ( 20.528 2.329 35.519) 41.090 13.638 ( 21.081 5.507 35.202) 41.399 14.321 ( -8.934 0.443 0.628) 8.967 14.410 ( -10.052 4.495 -10.611) 15.291 14.959 ( -5.434 1.372 -5.973) 8.191 15.110 ( 0.891 -4.689 14.108) 14.893 15.384 ( -13.319 -2.211 -4.834) 14.341 15.782 ( 21.658 3.078 -25.821) 33.842 15.957 ( 1.619 -24.896 4.127) 25.288 16.026 ( 11.886 -15.670 -11.284) 22.675 16.416 ( 6.685 -8.746 -12.162) 16.404 19.208 ( -11.995 6.407 5.502) 14.670 19.380 ( -2.693 0.194 15.171) 15.410 19.595 ( -5.434 11.286 -1.616) 12.630 20.160 ( -3.887 -0.245 -6.617) 7.678 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 2.691 3.955 12.792) 13.658 2.206 ( 13.049 -3.430 15.807) 20.782 2.438 ( 6.472 -2.921 -6.022) 9.311 2.531 ( -1.849 -4.097 -0.655) 4.543 2.796 ( -3.690 -3.820 2.865) 6.034 3.069 ( -6.249 1.281 -1.792) 6.626 3.167 ( 0.405 -3.266 -5.980) 6.826 3.332 ( -2.431 -6.607 -10.554) 12.687 3.424 ( 1.764 -3.116 -3.941) 5.325 3.552 ( 0.228 -1.377 -10.025) 10.122 3.730 ( -5.852 0.202 -3.486) 6.815 3.823 ( -4.002 -5.960 -4.000) 8.219 4.734 ( -3.786 4.421 15.580) 16.632 4.957 ( -0.147 14.046 8.240) 16.286 5.237 ( -0.545 16.374 -1.022) 16.415 5.383 ( 3.061 -1.547 12.022) 12.502 5.544 ( 12.719 7.568 3.880) 15.300 6.000 ( 15.379 -0.529 5.602) 16.376 6.094 ( 11.592 -0.515 1.955) 11.767 6.178 ( 19.691 0.140 13.106) 23.654 6.292 ( 4.376 0.697 2.993) 5.347 6.516 ( -1.397 0.788 -8.338) 8.491 6.748 ( 12.863 1.358 11.895) 17.572 6.943 ( -22.312 2.791 -14.514) 26.764 7.343 ( 8.002 -7.891 -5.697) 12.600 7.477 ( 0.502 -6.408 -18.110) 19.217 7.764 ( 4.193 -7.927 3.297) 9.554 8.115 ( 2.998 -13.068 -1.934) 13.546 8.189 ( 8.804 8.008 2.978) 12.268 8.348 ( 5.817 0.740 -1.897) 6.163 8.439 ( 7.041 7.562 7.068) 12.519 8.523 ( 8.990 3.447 -2.904) 10.057 8.694 ( 3.402 -5.795 -6.105) 9.079 9.187 ( -1.728 8.529 -9.227) 12.684 9.343 ( 9.838 -3.409 3.746) 11.066 9.693 ( 4.439 -3.088 2.677) 6.033 9.784 ( 6.864 -3.177 0.597) 7.587 9.821 ( 6.121 5.096 4.085) 8.951 10.138 ( 0.043 -3.219 0.181) 3.224 10.380 ( 1.180 3.886 16.569) 17.059 11.142 ( -3.913 -1.737 -17.499) 18.015 11.175 ( 2.397 -6.859 -4.765) 8.689 11.457 ( -1.539 0.334 -3.446) 3.789 11.658 ( -2.145 6.069 -15.438) 16.726 12.239 ( -10.690 20.659 13.348) 26.819 13.794 ( -21.093 6.791 -20.867) 30.438 13.888 ( 5.873 5.437 15.758) 17.674 14.271 ( 34.255 4.577 36.057) 49.944 14.575 ( 14.344 -4.481 18.144) 23.559 14.820 ( -8.529 1.328 0.084) 8.632 15.137 ( -1.471 -3.679 7.285) 8.293 15.210 ( 0.553 -3.889 10.294) 11.018 15.997 ( 2.486 -24.059 3.418) 24.428 16.134 ( 3.299 -20.657 -9.053) 22.794 16.187 ( 13.612 -3.077 -14.626) 20.216 16.645 ( 13.314 -1.863 -16.378) 21.189 18.910 ( -15.740 11.055 5.695) 20.060 19.308 ( -4.580 1.812 6.012) 7.772 19.447 ( -8.215 10.098 0.670) 13.034 20.044 ( -7.430 -0.486 -7.383) 10.485 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 3.728 5.028 5.094) 8.070 2.397 ( 2.233 -4.828 5.325) 7.527 2.541 ( 3.875 -1.320 -0.513) 4.125 2.592 ( 8.883 -1.146 -5.813) 10.678 2.717 ( -3.611 -6.563 -0.130) 7.492 2.956 ( -3.703 -4.277 2.158) 6.055 3.154 ( -1.489 0.887 -4.989) 5.281 3.243 ( -4.936 -6.439 -2.799) 8.583 3.365 ( -4.720 -1.740 -8.068) 9.508 3.510 ( -6.990 0.685 -10.492) 12.625 3.713 ( 1.347 -10.807 -0.439) 10.900 3.799 ( 1.516 -10.231 0.084) 10.343 4.740 ( 5.420 4.633 5.009) 8.714 4.992 ( 3.943 15.813 4.587) 16.931 5.173 ( -4.963 16.959 -2.141) 17.800 5.465 ( 6.239 1.504 5.174) 8.243 5.767 ( 3.734 4.865 -6.904) 9.234 6.052 ( -4.797 3.913 0.241) 6.195 6.208 ( 2.852 0.690 -4.803) 5.629 6.384 ( -16.420 1.361 -21.519) 27.102 6.502 ( 15.935 -4.795 11.583) 20.276 6.618 ( 15.828 9.710 15.770) 24.362 6.760 ( 9.412 -1.045 13.267) 16.299 7.010 ( 11.027 3.066 11.763) 16.412 7.407 ( 0.318 -9.747 -4.550) 10.761 7.493 ( 0.326 -11.574 -8.014) 14.082 7.854 ( 4.194 -6.001 4.632) 8.664 8.118 ( -2.673 -8.788 -0.695) 9.211 8.321 ( 5.319 4.931 2.711) 7.743 8.451 ( 5.478 3.008 1.980) 6.556 8.629 ( 7.931 3.404 -1.201) 8.714 8.674 ( 5.174 5.054 4.691) 8.621 8.753 ( 3.175 -1.870 -2.523) 4.466 9.137 ( -3.234 12.539 -8.457) 15.467 9.509 ( 6.303 -2.917 2.921) 7.535 9.828 ( 5.349 -3.347 10.130) 11.935 9.898 ( 6.453 -3.389 0.794) 7.332 10.010 ( 9.841 -1.203 1.661) 10.053 10.127 ( 0.330 0.665 -0.931) 1.191 10.477 ( 10.386 3.610 11.664) 16.030 10.983 ( -11.460 1.293 -15.643) 19.435 11.241 ( 3.025 -10.245 -6.848) 12.689 11.429 ( -2.075 -5.184 -0.743) 5.634 11.601 ( -4.387 1.203 -14.594) 15.287 12.135 ( 2.153 28.057 1.132) 28.162 13.249 ( -26.805 14.284 -27.654) 41.076 14.090 ( 9.027 4.086 20.381) 22.662 14.629 ( -9.813 2.255 6.503) 11.986 14.824 ( 11.274 -7.432 10.878) 17.340 14.990 ( 31.921 1.115 26.773) 41.677 15.066 ( -2.852 -3.324 1.344) 4.581 15.441 ( 19.454 -10.081 22.122) 31.136 16.047 ( 1.502 -21.809 0.204) 21.862 16.146 ( 1.635 -24.586 1.688) 24.698 16.372 ( 2.349 0.696 -4.298) 4.947 16.828 ( 2.268 -3.487 -5.903) 7.222 18.651 ( -7.823 16.175 -0.903) 17.990 19.139 ( -12.310 11.781 -10.118) 19.817 19.360 ( 0.775 1.117 5.694) 5.854 19.865 ( -10.115 -0.734 -7.929) 12.874 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 7.279 4.467 -1.334) 8.644 2.334 ( -6.777 0.942 -4.322) 8.093 2.592 ( 2.246 -4.217 -1.461) 4.996 2.649 ( -3.102 -6.494 -0.699) 7.231 2.801 ( 9.299 0.849 -1.359) 9.436 2.922 ( -2.150 -1.529 1.165) 2.884 3.123 ( -0.659 -3.670 -1.478) 4.011 3.153 ( -3.433 -6.749 -1.243) 7.673 3.310 ( 0.156 -0.021 -5.785) 5.787 3.373 ( -5.553 1.297 -5.584) 7.981 3.735 ( 1.782 -15.743 1.367) 15.903 3.787 ( -2.707 -16.222 2.663) 16.661 4.910 ( 8.454 7.128 -1.637) 11.178 5.047 ( -5.428 14.026 -2.334) 15.220 5.171 ( 13.406 14.248 -6.229) 20.532 5.526 ( -17.923 4.756 -16.609) 24.894 5.667 ( 11.855 4.124 -4.628) 13.378 5.987 ( -18.510 3.391 -13.839) 23.359 6.140 ( 7.180 7.659 6.600) 12.401 6.233 ( -1.362 2.256 2.183) 3.422 6.779 ( 10.539 -3.397 10.799) 15.467 6.888 ( 0.634 -3.281 12.040) 12.495 6.940 ( 13.318 7.049 13.701) 20.367 7.113 ( -2.398 4.854 12.249) 13.392 7.418 ( 2.369 -12.016 -3.670) 12.785 7.479 ( -2.183 -13.139 -2.522) 13.556 7.938 ( 4.398 -5.069 4.144) 7.888 8.034 ( -4.934 -5.675 1.686) 7.707 8.429 ( 5.428 3.764 1.963) 6.890 8.515 ( -1.376 2.946 2.103) 3.873 8.678 ( 2.972 -1.853 3.110) 4.684 8.747 ( -1.889 -2.342 5.127) 5.945 8.880 ( 9.374 12.109 -2.153) 15.464 9.043 ( -6.371 13.051 -5.127) 15.402 9.638 ( 6.892 -3.045 4.797) 8.932 9.777 ( -6.310 -5.164 6.663) 10.530 10.035 ( 4.808 0.143 9.732) 10.856 10.108 ( -2.283 1.003 8.408) 8.770 10.310 ( 18.257 1.085 -9.950) 20.820 10.662 ( -12.561 -0.114 -8.654) 15.254 10.826 ( 14.253 1.036 0.788) 14.312 11.155 ( -13.256 -7.553 -0.312) 15.260 11.429 ( 3.493 -6.178 -7.779) 10.530 11.510 ( -4.077 -3.629 -11.147) 12.411 12.332 ( 16.101 26.068 -13.280) 33.394 12.739 ( -23.325 20.055 -22.261) 37.972 14.262 ( 8.362 4.076 16.175) 18.660 14.437 ( -9.071 3.314 11.701) 15.171 14.955 ( 3.865 -6.282 4.730) 8.762 15.014 ( -2.382 -4.594 2.914) 5.939 15.583 ( 23.466 -8.135 15.024) 29.027 15.800 ( 6.850 -24.672 7.630) 26.718 16.053 ( 3.792 -18.067 7.786) 20.035 16.237 ( -4.765 -4.248 11.435) 13.096 16.345 ( 9.268 -6.285 11.023) 15.713 16.685 ( -15.563 -2.868 10.055) 18.749 18.645 ( 6.850 17.543 -10.568) 21.595 18.867 ( -13.492 15.389 -12.870) 24.176 19.453 ( 7.845 -0.711 -2.208) 8.181 19.649 ( -10.816 -0.883 -6.881) 12.849 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.000 2.099 18.181) 18.302 2.012 ( 0.000 7.265 12.281) 14.269 2.223 ( 0.000 -4.406 2.434) 5.033 2.513 ( 0.000 -4.895 5.543) 7.395 2.853 ( 0.000 -2.914 -6.839) 7.434 2.960 ( 0.000 -11.301 -6.026) 12.807 3.295 ( 0.000 7.670 -2.409) 8.040 3.300 ( 0.000 5.720 -17.584) 18.491 3.472 ( 0.000 4.162 -2.899) 5.072 3.560 ( 0.000 -1.994 -13.398) 13.546 3.778 ( 0.000 -8.653 -7.054) 11.164 3.856 ( 0.000 -8.432 -6.868) 10.875 5.058 ( 0.000 -0.822 12.472) 12.499 5.109 ( 0.000 -3.750 12.838) 13.375 5.157 ( 0.000 6.669 4.828) 8.233 5.288 ( 0.000 13.858 10.827) 17.586 5.431 ( 0.000 2.557 10.641) 10.944 5.675 ( 0.000 15.852 6.067) 16.973 5.707 ( 0.000 12.819 13.683) 18.749 6.084 ( 0.000 10.890 2.113) 11.093 6.249 ( 0.000 -14.457 28.398) 31.866 6.358 ( 0.000 -8.081 -2.008) 8.326 6.612 ( 0.000 3.872 -1.132) 4.034 6.873 ( 0.000 7.380 -15.900) 17.529 7.349 ( 0.000 -12.807 2.822) 13.114 7.496 ( 0.000 -21.344 -6.057) 22.186 7.615 ( 0.000 3.739 -27.715) 27.966 7.801 ( 0.000 -0.793 -9.727) 9.759 7.844 ( 0.000 -1.922 -5.741) 6.054 7.938 ( 0.000 -6.297 -11.170) 12.822 8.297 ( 0.000 4.671 -0.992) 4.776 8.484 ( 0.000 -3.302 -6.574) 7.357 8.739 ( 0.000 10.648 14.542) 18.024 8.943 ( 0.000 -2.303 10.687) 10.933 9.322 ( 0.000 4.757 -3.923) 6.166 9.570 ( 0.000 -2.314 1.274) 2.641 9.644 ( 0.000 -5.990 -9.288) 11.051 9.811 ( 0.000 -8.923 15.553) 17.931 10.069 ( 0.000 13.638 -6.192) 14.978 10.415 ( 0.000 -0.014 11.800) 11.800 11.073 ( 0.000 -2.419 -10.301) 10.581 11.117 ( 0.000 -1.801 -3.433) 3.877 11.655 ( 0.000 6.231 -14.540) 15.819 11.825 ( 0.000 0.666 -17.843) 17.855 13.308 ( 0.000 6.109 39.750) 40.216 13.311 ( 0.000 25.240 24.042) 34.858 13.553 ( 0.000 9.304 31.894) 33.224 14.324 ( 0.000 3.289 20.325) 20.590 14.642 ( 0.000 -6.184 -4.584) 7.698 14.931 ( 0.000 -15.708 8.186) 17.713 15.279 ( 0.000 9.928 -15.297) 18.236 15.331 ( 0.000 -18.920 -1.262) 18.962 15.487 ( 0.000 -10.430 -3.672) 11.058 15.522 ( 0.000 1.433 -17.881) 17.938 15.640 ( 0.000 -2.303 -22.369) 22.487 15.995 ( 0.000 -18.058 -18.657) 25.965 19.420 ( 0.000 2.653 8.808) 9.199 19.428 ( 0.000 1.222 16.097) 16.144 19.901 ( 0.000 10.958 -3.068) 11.379 20.179 ( 0.000 -2.142 -5.675) 6.066 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 6.783 1.345 15.931) 17.367 2.114 ( 8.294 7.056 11.394) 15.761 2.224 ( 0.597 -5.431 1.605) 5.694 2.506 ( -1.231 -4.669 4.804) 6.812 2.795 ( -5.251 -3.783 -5.763) 8.666 2.945 ( -1.467 -10.970 -7.577) 13.413 3.273 ( -2.318 4.424 -3.411) 6.048 3.308 ( 0.798 6.408 -12.721) 14.266 3.445 ( -2.102 3.951 -5.159) 6.830 3.547 ( -1.673 -2.523 -14.336) 14.652 3.714 ( -4.842 -7.899 -5.377) 10.712 3.843 ( -1.914 -5.788 -7.858) 9.945 4.963 ( -5.482 4.841 17.520) 18.985 5.186 ( 2.242 -4.546 17.023) 17.762 5.310 ( 10.295 9.014 4.629) 14.445 5.348 ( 8.347 13.123 5.659) 16.550 5.541 ( 9.053 5.398 7.236) 12.785 5.748 ( 7.606 9.296 5.079) 13.041 5.812 ( 11.865 6.729 12.827) 18.724 6.122 ( 3.098 9.341 3.994) 10.621 6.216 ( -3.845 -7.896 9.604) 13.014 6.381 ( 6.743 -10.936 14.496) 19.370 6.651 ( 3.323 8.048 -4.280) 9.702 7.033 ( 12.221 2.874 -12.287) 17.566 7.345 ( -7.187 -6.496 -7.517) 12.262 7.424 ( -2.664 -9.513 -9.404) 13.639 7.519 ( -8.224 -4.776 -17.597) 20.003 7.700 ( 0.695 -13.487 -5.772) 14.686 8.048 ( 15.106 1.334 -4.860) 15.925 8.108 ( 11.850 -3.164 -6.238) 13.761 8.355 ( 4.290 3.385 -1.822) 5.760 8.512 ( 3.160 -3.285 -5.666) 7.272 8.742 ( 0.978 12.518 11.879) 17.285 9.031 ( 7.888 -3.511 10.054) 13.252 9.326 ( 0.451 4.518 -4.144) 6.147 9.596 ( 0.191 -5.342 -3.075) 6.167 9.611 ( 0.626 -2.141 -0.028) 2.231 9.819 ( 0.174 -7.592 11.853) 14.077 10.121 ( 4.142 11.280 -7.619) 14.228 10.436 ( 1.985 1.255 11.304) 11.545 11.053 ( -1.933 -3.761 -10.319) 11.152 11.102 ( -1.295 -2.955 -3.571) 4.812 11.622 ( -3.065 6.532 -12.185) 14.161 11.800 ( -2.495 0.751 -16.700) 16.902 12.999 ( -11.874 25.816 22.851) 36.464 13.595 ( 12.197 -1.540 32.353) 34.610 13.847 ( 25.148 15.003 32.894) 44.040 14.332 ( -0.080 1.747 17.219) 17.307 14.523 ( -11.428 2.889 -13.671) 18.051 14.931 ( -1.094 -5.819 7.749) 9.753 15.056 ( -7.405 -1.258 -8.902) 11.647 15.299 ( -7.111 -14.353 5.547) 16.951 15.335 ( -4.800 -15.272 -1.257) 16.058 15.604 ( -2.946 -21.155 -8.303) 22.916 15.885 ( 21.799 5.994 -25.240) 33.885 16.223 ( 16.865 -8.968 -21.069) 28.439 19.334 ( -7.941 4.558 8.890) 12.762 19.394 ( -3.162 0.697 14.832) 15.181 19.850 ( -5.051 11.200 -3.705) 12.832 20.136 ( -4.176 -2.314 -6.095) 7.742 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 8.048 1.423 8.730) 11.959 2.236 ( 4.871 3.790 11.923) 13.425 2.329 ( 9.235 -4.949 -0.969) 10.523 2.474 ( -0.848 -1.983 1.189) 2.463 2.675 ( -5.638 -5.329 -3.185) 8.386 2.878 ( -5.547 -11.169 -6.909) 14.256 3.197 ( -4.941 0.338 -2.671) 5.627 3.323 ( -0.125 4.826 -4.325) 6.482 3.389 ( -4.097 -1.630 -10.110) 11.030 3.490 ( -3.480 -3.934 -14.455) 15.380 3.635 ( -2.722 -3.508 -3.543) 5.680 3.772 ( -4.924 -2.280 -7.889) 9.574 4.865 ( -3.290 7.451 15.743) 17.726 5.156 ( -2.326 -1.266 14.571) 14.809 5.478 ( 8.352 13.508 9.350) 18.430 5.572 ( 4.220 12.269 1.790) 13.097 5.746 ( 13.601 10.952 0.626) 17.474 5.959 ( 6.692 -2.204 -2.682) 7.539 6.096 ( 10.442 -0.174 9.913) 14.399 6.159 ( 10.833 -0.368 10.770) 15.280 6.331 ( 12.943 1.370 4.990) 13.939 6.580 ( 9.970 -7.661 7.413) 14.596 6.729 ( 5.337 8.370 1.243) 10.005 7.040 ( -16.197 7.652 -12.373) 21.772 7.258 ( 6.782 0.667 -4.217) 8.014 7.303 ( -6.031 -10.343 -18.605) 22.124 7.537 ( 5.721 -10.594 3.487) 12.535 7.772 ( 4.976 -18.204 -0.859) 18.891 8.320 ( 6.877 2.214 0.625) 7.251 8.361 ( 12.124 1.967 -1.707) 12.401 8.477 ( 9.710 1.217 -4.326) 10.699 8.605 ( 5.161 -2.937 -3.136) 6.715 8.802 ( 5.583 15.508 6.961) 17.892 9.231 ( 10.988 -4.600 5.748) 13.226 9.342 ( 1.143 4.292 -5.268) 6.891 9.611 ( 4.309 -5.323 -2.313) 7.228 9.680 ( 3.624 -4.075 4.295) 6.942 9.830 ( 1.881 -6.341 9.885) 11.894 10.195 ( 2.649 10.509 -9.890) 14.672 10.494 ( 3.954 4.602 9.765) 11.496 11.000 ( -3.479 -7.586 -13.799) 16.127 11.071 ( -1.388 -5.330 -1.531) 5.717 11.537 ( -5.469 6.365 -6.846) 10.829 11.726 ( -4.791 0.247 -14.315) 15.098 12.842 ( -3.601 33.170 12.567) 35.653 13.853 ( 9.270 -2.917 17.541) 20.054 14.140 ( -13.155 15.251 -11.097) 22.996 14.391 ( 21.010 3.645 26.329) 33.881 14.457 ( 10.058 -2.179 14.865) 18.080 14.839 ( -6.451 -0.222 -0.831) 6.508 15.053 ( 0.781 -3.017 7.431) 8.058 15.111 ( -4.139 -4.821 5.531) 8.424 15.377 ( 5.432 -29.566 6.366) 30.727 15.537 ( -1.905 -26.731 -0.072) 26.798 16.272 ( 15.235 5.646 -18.527) 24.642 16.552 ( 13.927 -6.046 -17.200) 22.943 19.139 ( -10.053 9.005 7.067) 15.235 19.320 ( -3.394 -0.475 10.553) 11.095 19.703 ( -9.247 11.775 -5.288) 15.878 20.014 ( -7.849 -2.755 -7.114) 10.946 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 5.111 4.835 1.700) 7.238 2.354 ( 3.602 0.575 9.042) 9.750 2.478 ( 4.170 -3.035 -1.235) 5.303 2.559 ( 10.058 -1.634 -5.878) 11.764 2.599 ( -1.342 -4.326 -2.076) 4.982 2.759 ( -3.739 -10.585 1.390) 11.312 3.090 ( -5.474 -2.104 -2.546) 6.393 3.264 ( -6.246 -0.240 -3.298) 7.067 3.305 ( -2.835 -2.517 -7.412) 8.325 3.413 ( -3.608 -5.581 -10.953) 12.812 3.556 ( -6.040 -3.947 -0.870) 7.267 3.658 ( -6.202 -3.095 -4.088) 8.047 4.879 ( 5.419 7.877 5.232) 10.899 5.166 ( 3.959 -1.299 5.448) 6.859 5.519 ( -6.680 14.124 -1.596) 15.705 5.656 ( 8.310 15.548 5.677) 18.521 5.847 ( -7.205 0.496 -7.985) 10.767 6.078 ( 10.445 -0.615 3.761) 11.119 6.313 ( 4.311 4.206 -3.094) 6.771 6.407 ( 12.258 2.667 10.071) 16.088 6.493 ( -4.577 7.534 -14.091) 16.621 6.702 ( 8.080 -3.119 7.871) 11.703 6.869 ( 2.991 6.492 8.377) 11.012 6.925 ( 10.606 -10.622 11.335) 18.810 7.223 ( 0.422 -5.136 -4.837) 7.068 7.371 ( 3.099 3.587 -1.796) 5.069 7.663 ( 5.992 -9.449 4.009) 11.885 7.856 ( 2.465 -15.681 1.039) 15.908 8.410 ( 4.055 3.507 5.209) 7.475 8.524 ( 4.864 2.978 3.478) 6.680 8.612 ( 2.051 -1.822 0.193) 2.750 8.697 ( 2.514 -1.971 3.709) 4.895 8.982 ( 11.148 16.908 -1.980) 20.349 9.350 ( 0.157 6.973 -3.430) 7.773 9.438 ( 7.681 -3.700 -0.634) 8.549 9.702 ( -0.612 -8.794 2.402) 9.136 9.814 ( 12.931 -2.634 1.101) 13.242 9.938 ( 10.100 -6.672 5.388) 13.250 10.221 ( -0.281 10.354 -7.166) 12.595 10.616 ( 8.574 7.955 7.226) 13.748 10.884 ( -8.461 -11.057 -16.712) 21.752 11.075 ( 2.087 -6.560 -2.027) 7.176 11.397 ( -8.277 3.762 -1.912) 9.291 11.601 ( -7.693 -1.582 -11.694) 14.087 12.858 ( 5.115 38.240 2.119) 38.638 13.666 ( -17.865 22.870 -18.154) 34.231 14.205 ( 10.111 5.197 15.559) 19.270 14.564 ( 8.313 -18.615 8.799) 22.205 14.686 ( -7.594 1.733 3.268) 8.447 14.835 ( 10.913 -16.004 13.639) 23.690 14.974 ( -4.246 -4.815 1.424) 6.576 15.213 ( 3.707 -14.453 9.370) 17.619 15.457 ( 11.165 -17.349 9.090) 22.545 15.731 ( 19.536 -14.235 18.804) 30.625 16.451 ( 1.457 5.378 -5.518) 7.842 16.722 ( 1.491 -6.069 -5.433) 8.281 18.987 ( -3.692 13.509 0.648) 14.019 19.286 ( 0.348 -0.410 1.795) 1.874 19.490 ( -11.044 11.389 -6.237) 17.047 19.826 ( -10.491 -3.281 -8.016) 13.605 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 4.991 4.733 -0.807) 6.925 2.362 ( -2.013 2.532 0.191) 3.240 2.524 ( 0.935 -4.311 1.037) 4.532 2.548 ( -2.194 -2.255 -2.252) 3.869 2.777 ( 7.862 -3.921 -4.708) 9.968 2.816 ( 6.615 -2.461 -0.128) 7.059 2.990 ( -2.702 -5.775 -0.979) 6.451 3.100 ( -9.324 -3.089 -3.890) 10.564 3.288 ( 1.649 -1.355 -3.806) 4.364 3.360 ( -3.320 -1.651 -3.007) 4.774 3.441 ( -1.537 -9.644 -0.327) 9.771 3.522 ( -6.754 -7.803 0.281) 10.324 5.067 ( 12.063 7.802 -4.005) 14.915 5.290 ( -0.652 5.496 -4.786) 7.317 5.355 ( -0.324 4.353 -4.406) 6.202 5.585 ( -13.684 -0.377 -10.039) 16.976 5.881 ( 11.338 14.292 -0.767) 18.259 6.139 ( -12.930 9.613 -11.911) 20.037 6.276 ( 7.107 4.075 6.285) 10.325 6.401 ( -4.540 11.144 3.580) 12.555 6.663 ( 11.079 -4.752 4.304) 12.800 6.805 ( -1.590 -4.826 6.924) 8.588 6.988 ( 7.043 -7.304 7.845) 12.826 7.067 ( 1.209 -10.387 10.363) 14.723 7.298 ( 5.939 6.762 4.256) 9.956 7.389 ( -1.838 6.420 2.961) 7.305 7.773 ( 5.014 -9.149 3.311) 10.945 7.855 ( -2.495 -11.368 2.151) 11.836 8.503 ( 4.839 3.041 6.308) 8.513 8.574 ( -0.914 2.520 4.907) 5.591 8.628 ( 1.727 -2.762 5.732) 6.593 8.685 ( -2.773 -3.110 8.123) 9.129 9.190 ( 8.627 15.027 -4.901) 18.007 9.316 ( -3.797 10.832 -4.415) 12.298 9.561 ( 4.939 -3.958 1.458) 6.495 9.649 ( -3.848 -6.467 2.708) 7.997 10.025 ( 8.297 0.090 4.369) 9.377 10.159 ( -3.856 4.988 -1.157) 6.410 10.276 ( 18.042 -5.391 -6.983) 20.084 10.626 ( -14.486 -6.235 -10.262) 18.816 10.863 ( 12.401 3.486 0.150) 12.883 11.091 ( -6.109 3.295 -0.592) 6.966 11.273 ( 1.534 -7.320 -4.767) 8.869 11.422 ( -9.553 -4.986 -9.088) 14.097 13.034 ( 11.878 38.329 -7.315) 40.788 13.319 ( -15.920 32.995 -14.666) 39.462 14.381 ( 7.617 6.193 12.039) 15.534 14.530 ( -7.409 3.989 7.776) 11.457 14.743 ( 8.312 -16.234 6.274) 19.287 14.881 ( -5.382 -8.356 5.055) 11.151 14.979 ( 6.262 -34.634 0.981) 35.209 15.124 ( -7.600 -36.385 -2.793) 37.275 15.901 ( 24.663 3.773 19.822) 31.866 16.183 ( 22.729 -6.520 18.470) 30.005 16.316 ( -14.185 4.849 9.382) 17.685 16.585 ( -14.625 -5.966 9.273) 18.316 19.018 ( 6.517 15.483 -7.174) 18.267 19.207 ( -10.509 14.426 -10.272) 20.593 19.415 ( 6.399 -3.057 -3.087) 7.735 19.604 ( -10.946 -3.676 -7.398) 13.713 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 -7.719 8.549) 11.518 1.943 ( 0.000 7.719 8.549) 11.518 2.344 ( 0.000 -9.690 9.222) 13.377 2.344 ( 0.000 9.690 9.222) 13.377 2.809 ( 0.000 -1.791 -10.820) 10.968 2.809 ( 0.000 1.791 -10.820) 10.968 3.436 ( 0.000 -3.305 -10.813) 11.307 3.436 ( 0.000 3.305 -10.813) 11.307 3.542 ( 0.000 -0.468 -9.032) 9.045 3.542 ( 0.000 0.468 -9.032) 9.045 3.657 ( 0.000 -3.681 -7.119) 8.014 3.657 ( 0.000 3.681 -7.119) 8.014 5.057 ( 0.000 -1.042 13.464) 13.505 5.057 ( 0.000 1.042 13.464) 13.505 5.290 ( 0.000 -5.232 1.045) 5.336 5.290 ( 0.000 5.232 1.045) 5.336 5.776 ( 0.000 -18.290 15.151) 23.750 5.776 ( 0.000 18.290 15.151) 23.750 5.950 ( 0.000 -4.418 13.504) 14.208 5.950 ( 0.000 4.418 13.504) 14.208 6.163 ( 0.000 -4.603 7.457) 8.763 6.163 ( 0.000 4.603 7.457) 8.763 6.969 ( 0.000 -21.171 -2.645) 21.335 6.969 ( 0.000 21.171 -2.645) 21.335 7.091 ( 0.000 -8.000 -4.364) 9.113 7.091 ( 0.000 8.000 -4.364) 9.113 7.723 ( 0.000 -5.421 -21.700) 22.366 7.723 ( 0.000 5.421 -21.700) 22.366 7.845 ( 0.000 -2.220 -8.164) 8.461 7.845 ( 0.000 2.220 -8.164) 8.461 8.403 ( 0.000 -4.578 -2.675) 5.303 8.403 ( 0.000 4.578 -2.675) 5.303 8.891 ( 0.000 -3.678 13.059) 13.567 8.891 ( 0.000 3.678 13.059) 13.567 9.461 ( 0.000 -7.382 -5.104) 8.975 9.461 ( 0.000 7.382 -5.104) 8.975 9.635 ( 0.000 -5.692 7.571) 9.472 9.635 ( 0.000 5.692 7.571) 9.472 10.322 ( 0.000 -8.794 -0.152) 8.795 10.322 ( 0.000 8.794 -0.152) 8.795 11.072 ( 0.000 -1.871 -3.905) 4.330 11.072 ( 0.000 1.871 -3.905) 4.330 11.779 ( 0.000 -4.557 -16.477) 17.095 11.779 ( 0.000 4.557 -16.477) 17.095 13.423 ( 0.000 -3.739 37.340) 37.527 13.423 ( 0.000 3.739 37.340) 37.527 14.221 ( 0.000 -39.724 15.601) 42.678 14.221 ( 0.000 39.724 15.601) 42.678 14.461 ( 0.000 -9.077 11.125) 14.358 14.461 ( 0.000 9.077 11.125) 14.358 15.268 ( 0.000 -7.610 3.590) 8.414 15.268 ( 0.000 7.610 3.590) 8.414 15.581 ( 0.000 -1.862 -22.680) 22.756 15.581 ( 0.000 1.862 -22.680) 22.756 15.617 ( 0.000 -15.911 -25.756) 30.274 15.617 ( 0.000 15.911 -25.756) 30.274 19.446 ( 0.000 -0.107 13.238) 13.238 19.446 ( 0.000 0.107 13.238) 13.238 20.090 ( 0.000 -6.419 -4.553) 7.870 20.090 ( 0.000 6.419 -4.553) 7.870 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 5.567 -7.984 7.047) 12.016 2.003 ( 5.567 7.984 7.047) 12.016 2.355 ( 0.927 -8.663 8.918) 12.468 2.355 ( 0.927 8.663 8.918) 12.468 2.779 ( -3.162 -3.565 -10.413) 11.451 2.779 ( -3.162 3.565 -10.413) 11.451 3.401 ( -3.919 -5.585 -6.105) 9.155 3.401 ( -3.919 5.585 -6.105) 9.155 3.472 ( -4.285 -4.876 -12.080) 13.714 3.472 ( -4.285 4.876 -12.080) 13.714 3.689 ( 1.440 -6.677 -7.925) 10.463 3.689 ( 1.440 6.677 -7.925) 10.463 5.071 ( -0.045 -5.339 16.627) 17.463 5.071 ( -0.045 5.339 16.627) 17.463 5.432 ( 12.339 -3.467 1.321) 12.885 5.432 ( 12.339 3.467 1.321) 12.885 5.824 ( 5.716 -13.569 9.124) 17.322 5.824 ( 5.716 13.569 9.124) 17.322 5.969 ( 3.079 -8.954 10.861) 14.409 5.969 ( 3.079 8.954 10.861) 14.409 6.199 ( 3.418 -4.356 11.008) 12.322 6.199 ( 3.418 4.356 11.008) 12.322 7.015 ( 3.394 -21.057 -3.507) 21.615 7.015 ( 3.394 21.057 -3.507) 21.615 7.173 ( 7.419 -8.917 -4.219) 12.344 7.173 ( 7.419 8.917 -4.219) 12.344 7.535 ( -12.039 -4.219 -17.774) 21.878 7.535 ( -12.039 4.219 -17.774) 21.878 8.061 ( 15.186 -0.982 -7.715) 17.061 8.061 ( 15.186 0.982 -7.715) 17.061 8.441 ( 3.406 -3.860 -2.659) 5.794 8.441 ( 3.406 3.860 -2.659) 5.794 8.940 ( 4.776 -5.894 11.986) 14.185 8.940 ( 4.776 5.894 11.986) 14.185 9.455 ( -0.330 -6.998 -4.861) 8.527 9.455 ( -0.330 6.998 -4.861) 8.527 9.647 ( 1.148 -5.886 7.562) 9.651 9.647 ( 1.148 5.886 7.562) 9.651 10.359 ( 3.456 -8.605 -1.785) 9.444 10.359 ( 3.456 8.605 -1.785) 9.444 11.038 ( -3.168 -2.213 -3.447) 5.178 11.038 ( -3.168 2.213 -3.447) 5.178 11.752 ( -2.605 -4.767 -14.809) 15.774 11.752 ( -2.605 4.767 -14.809) 15.774 13.448 ( 2.580 -13.525 29.669) 32.708 13.448 ( 2.580 13.525 29.669) 32.708 14.304 ( 5.265 -19.674 17.059) 26.567 14.304 ( 5.265 19.674 17.059) 26.567 14.512 ( 7.334 -6.647 12.067) 15.607 14.512 ( 7.334 6.647 12.067) 15.607 15.185 ( -16.774 -12.976 -21.384) 30.117 15.185 ( -16.774 12.976 -21.384) 30.117 15.233 ( -5.048 -5.269 5.884) 9.374 15.233 ( -5.048 5.269 5.884) 9.374 16.038 ( 20.968 -8.110 -24.072) 32.938 16.038 ( 20.968 8.110 -24.072) 32.938 19.393 ( -4.848 -1.102 12.495) 13.447 19.393 ( -4.848 1.102 12.495) 13.447 20.044 ( -4.573 -6.632 -5.109) 9.539 20.044 ( -4.573 6.632 -5.109) 9.539 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 7.686 -6.307 4.539) 10.930 2.144 ( 7.686 6.307 4.539) 10.930 2.396 ( 4.022 -5.307 6.943) 9.620 2.396 ( 4.022 5.307 6.943) 9.620 2.679 ( -6.357 -6.095 -8.445) 12.201 2.679 ( -6.357 6.095 -8.445) 12.201 3.282 ( -6.798 -6.563 -3.383) 10.037 3.282 ( -6.798 6.563 -3.383) 10.037 3.403 ( -3.505 -3.876 -11.581) 12.706 3.403 ( -3.505 3.876 -11.581) 12.706 3.685 ( -2.327 -5.372 -7.514) 9.525 3.685 ( -2.327 5.372 -7.514) 9.525 5.034 ( -2.144 -7.762 15.568) 17.528 5.034 ( -2.144 7.762 15.568) 17.528 5.686 ( 10.881 -2.681 3.052) 11.615 5.686 ( 10.881 2.681 3.052) 11.615 5.944 ( 0.353 -1.743 -4.925) 5.236 5.944 ( 0.353 1.743 -4.925) 5.236 6.129 ( 15.179 -7.768 14.042) 22.089 6.129 ( 15.179 7.768 14.042) 22.089 6.349 ( 12.667 -4.093 12.035) 17.945 6.349 ( 12.667 4.093 12.035) 17.945 7.004 ( -8.170 -14.136 -13.430) 21.141 7.004 ( -8.170 14.136 -13.430) 21.141 7.328 ( 5.232 -9.141 -4.165) 11.326 7.328 ( 5.232 9.141 -4.165) 11.326 7.385 ( 2.864 -5.310 0.188) 6.036 7.385 ( 2.864 5.310 0.188) 6.036 8.358 ( 11.187 -1.916 -1.817) 11.495 8.358 ( 11.187 1.916 -1.817) 11.495 8.538 ( 6.458 -3.571 -2.466) 7.781 8.538 ( 6.458 3.571 -2.466) 7.781 9.084 ( 9.691 -9.782 6.401) 15.185 9.084 ( 9.691 9.782 6.401) 15.185 9.460 ( 1.016 -7.026 -3.495) 7.913 9.460 ( 1.016 7.026 -3.495) 7.913 9.688 ( 3.311 -4.489 7.493) 9.341 9.688 ( 3.311 4.489 7.493) 9.341 10.447 ( 4.864 -9.696 -6.584) 12.690 10.447 ( 4.864 9.696 -6.584) 12.690 10.954 ( -4.815 -3.909 -1.493) 6.379 10.954 ( -4.815 3.909 -1.493) 6.379 11.672 ( -5.476 -5.086 -11.153) 13.426 11.672 ( -5.476 5.086 -11.153) 13.426 13.534 ( 6.009 -27.302 15.883) 32.152 13.534 ( 6.009 27.302 15.883) 32.152 14.343 ( -0.564 -2.672 9.174) 9.572 14.343 ( -0.564 2.672 9.174) 9.572 14.723 ( 2.091 -18.421 3.659) 18.897 14.723 ( 2.091 18.421 3.659) 18.897 14.950 ( 1.093 -4.610 -1.552) 4.985 14.950 ( 1.093 4.610 -1.552) 4.985 15.153 ( -0.337 -8.274 11.703) 14.336 15.153 ( -0.337 8.274 11.703) 14.336 16.409 ( 14.694 -6.841 -17.937) 24.175 16.409 ( 14.694 6.841 -17.937) 24.175 19.277 ( -5.718 -3.932 9.305) 11.608 19.277 ( -5.718 3.932 9.305) 11.608 19.910 ( -8.504 -7.208 -6.515) 12.912 19.910 ( -8.504 7.208 -6.515) 12.912 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 6.355 -5.500 3.518) 9.111 2.289 ( 6.355 5.500 3.518) 9.111 2.532 ( 3.913 -2.737 -1.905) 5.141 2.532 ( 3.913 2.737 -1.905) 5.141 2.561 ( 0.629 -5.114 -0.614) 5.190 2.561 ( 0.629 5.114 -0.614) 5.190 3.143 ( -7.114 -6.066 -4.201) 10.250 3.143 ( -7.114 6.066 -4.201) 10.250 3.320 ( -4.011 -2.866 -7.203) 8.728 3.320 ( -4.011 2.866 -7.203) 8.728 3.584 ( -7.533 -4.000 -3.447) 9.200 3.584 ( -7.533 4.000 -3.447) 9.200 5.052 ( 4.848 -7.609 5.147) 10.387 5.052 ( 4.848 7.609 5.147) 10.387 5.761 ( -8.390 -8.038 -3.098) 12.025 5.761 ( -8.390 8.038 -3.098) 12.025 5.950 ( 7.696 -10.575 0.942) 13.113 5.950 ( 7.696 10.575 0.942) 13.113 6.479 ( 15.828 -10.077 9.258) 20.923 6.479 ( 15.828 10.077 9.258) 20.923 6.619 ( 8.071 -5.242 4.106) 10.463 6.619 ( 8.071 5.242 4.106) 10.463 6.763 ( -8.665 -5.711 -6.733) 12.370 6.763 ( -8.665 5.711 -6.733) 12.370 7.447 ( 6.774 -15.366 3.895) 17.238 7.447 ( 6.774 15.366 3.895) 17.238 7.508 ( 5.450 -6.532 1.863) 8.709 7.508 ( 5.450 6.532 1.863) 8.709 8.493 ( 4.097 -4.166 4.696) 7.497 8.493 ( 4.097 4.166 4.696) 7.497 8.642 ( 1.974 -3.204 3.448) 5.104 8.642 ( 1.974 3.204 3.448) 5.104 9.307 ( 10.314 -10.762 -3.735) 15.367 9.307 ( 10.314 10.762 -3.735) 15.367 9.491 ( 1.506 -8.457 -0.129) 8.591 9.491 ( 1.506 8.457 -0.129) 8.591 9.815 ( 10.417 -3.133 4.975) 11.961 9.815 ( 10.417 3.133 4.975) 11.961 10.517 ( -0.146 -15.080 -12.930) 19.865 10.517 ( -0.146 15.080 -12.930) 19.865 10.886 ( 0.430 -9.818 2.369) 10.109 10.886 ( 0.430 9.818 2.369) 10.109 11.522 ( -9.502 -5.694 -7.366) 13.303 11.522 ( -9.502 5.694 -7.366) 13.303 13.693 ( 9.649 -34.901 4.430) 36.480 13.693 ( 9.649 34.901 4.430) 36.480 14.291 ( -5.160 -13.985 -2.645) 15.140 14.291 ( -5.160 13.985 -2.645) 15.140 14.619 ( -3.914 -5.589 1.873) 7.076 14.619 ( -3.914 5.589 1.873) 7.076 14.902 ( -7.495 -2.377 3.828) 8.745 14.902 ( -7.495 2.377 3.828) 8.745 15.489 ( 26.560 -8.729 24.252) 37.011 15.489 ( 26.560 8.729 24.252) 37.011 16.583 ( 1.391 -6.611 -5.481) 8.700 16.583 ( 1.391 6.611 -5.481) 8.700 19.205 ( -0.445 -6.865 2.454) 7.304 19.205 ( -0.445 6.865 2.454) 7.304 19.709 ( -11.159 -7.941 -8.024) 15.873 19.709 ( -11.159 7.941 -8.024) 15.873 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 4.055 -5.322 2.070) 7.004 2.395 ( 4.055 5.322 2.070) 7.004 2.462 ( -3.174 -4.712 -1.244) 5.816 2.462 ( -3.174 4.712 -1.244) 5.816 2.772 ( 11.401 -3.445 -2.502) 12.170 2.772 ( 11.401 3.445 -2.502) 12.170 2.982 ( -9.122 -5.415 -5.048) 11.748 2.982 ( -9.122 5.415 -5.048) 11.748 3.290 ( 2.161 -2.339 -2.095) 3.812 3.290 ( 2.161 2.339 -2.095) 3.812 3.409 ( -8.590 -3.401 0.050) 9.239 3.409 ( -8.590 3.401 0.050) 9.239 5.229 ( 12.010 -6.600 -4.604) 14.457 5.229 ( 12.010 6.600 -4.604) 14.457 5.506 ( -14.453 -6.384 -7.829) 17.633 5.506 ( -14.453 6.384 -7.829) 17.633 6.160 ( 11.756 -9.722 2.317) 15.430 6.160 ( 11.756 9.722 2.317) 15.430 6.413 ( -13.052 -8.838 -2.398) 15.944 6.413 ( -13.052 8.838 -2.398) 15.944 6.768 ( 8.619 -11.096 6.930) 15.666 6.768 ( 8.619 11.096 6.930) 15.666 6.831 ( 2.612 -8.720 5.228) 10.497 6.831 ( 2.612 8.720 5.228) 10.497 7.557 ( 3.467 -12.304 5.146) 13.780 7.557 ( 3.467 12.304 5.146) 13.780 7.578 ( 1.362 -9.252 3.532) 9.997 7.578 ( 1.362 9.252 3.532) 9.997 8.564 ( 3.299 -2.907 7.487) 8.682 8.564 ( 3.299 2.907 7.487) 8.682 8.627 ( -2.557 -2.424 7.505) 8.291 8.627 ( -2.557 2.424 7.505) 8.291 9.450 ( 4.197 -7.237 -2.830) 8.832 9.450 ( 4.197 7.237 -2.830) 8.832 9.499 ( -0.936 -6.919 0.387) 6.993 9.499 ( -0.936 6.919 0.387) 6.993 10.096 ( 15.637 -6.892 -2.523) 17.274 10.096 ( 15.637 6.892 -2.523) 17.274 10.385 ( -11.782 -12.846 -9.316) 19.765 10.385 ( -11.782 12.846 -9.316) 19.765 11.025 ( 11.808 -9.149 -0.988) 14.970 11.025 ( 11.808 9.149 -0.988) 14.970 11.290 ( -13.121 -6.885 -4.345) 15.441 11.290 ( -13.121 6.885 -4.345) 15.441 13.910 ( 11.363 -35.186 -3.197) 37.114 13.910 ( 11.363 35.186 -3.197) 37.114 14.131 ( -10.017 -29.196 -7.091) 31.670 14.131 ( -10.017 29.196 -7.091) 31.670 14.625 ( 3.793 -5.398 7.390) 9.906 14.625 ( 3.793 5.398 7.390) 9.906 14.744 ( -7.425 -3.429 5.964) 10.122 14.744 ( -7.425 3.429 5.964) 10.122 16.030 ( 25.184 -7.145 19.756) 32.796 16.030 ( 25.184 7.145 19.756) 32.796 16.446 ( -14.617 -6.646 9.178) 18.495 16.446 ( -14.617 6.646 9.178) 18.495 19.277 ( 7.366 -8.417 -4.955) 12.234 19.277 ( 7.366 8.417 -4.955) 12.234 19.475 ( -11.396 -8.513 -8.246) 16.442 19.475 ( -11.396 8.513 -8.246) 16.442 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.000 0.000 15.477) 15.477 2.336 ( 0.000 0.000 -10.775) 10.775 2.396 ( 0.000 0.000 16.609) 16.609 2.570 ( 0.000 0.000 12.415) 12.415 2.640 ( 0.000 0.000 -7.571) 7.571 2.898 ( 0.000 0.000 -17.825) 17.825 3.317 ( 0.000 0.000 2.555) 2.555 3.370 ( 0.000 0.000 -2.580) 2.580 3.517 ( 0.000 0.000 1.488) 1.488 3.612 ( 0.000 0.000 -7.252) 7.252 3.880 ( 0.000 0.000 7.237) 7.237 3.979 ( 0.000 0.000 -3.583) 3.583 4.876 ( 0.000 0.000 2.871) 2.871 4.935 ( 0.000 0.000 -2.422) 2.422 5.267 ( 0.000 0.000 9.333) 9.333 5.428 ( 0.000 0.000 -5.954) 5.954 5.510 ( 0.000 0.000 6.700) 6.700 5.564 ( 0.000 0.000 1.423) 1.423 5.685 ( 0.000 0.000 23.131) 23.131 5.937 ( 0.000 0.000 28.824) 28.824 6.215 ( 0.000 0.000 -15.120) 15.120 6.459 ( 0.000 0.000 -1.242) 1.242 6.571 ( 0.000 0.000 -9.461) 9.461 6.762 ( 0.000 0.000 -38.524) 38.524 7.102 ( 0.000 0.000 23.433) 23.433 7.517 ( 0.000 0.000 -16.360) 16.360 7.675 ( 0.000 0.000 -0.823) 0.823 7.719 ( 0.000 0.000 -3.927) 3.927 8.121 ( 0.000 0.000 5.657) 5.657 8.198 ( 0.000 0.000 -2.684) 2.684 8.274 ( 0.000 0.000 4.838) 4.838 8.414 ( 0.000 0.000 -8.938) 8.938 8.565 ( 0.000 0.000 17.618) 17.618 8.953 ( 0.000 0.000 -19.060) 19.060 9.321 ( 0.000 0.000 10.900) 10.900 9.487 ( 0.000 0.000 1.648) 1.648 9.531 ( 0.000 0.000 -2.882) 2.882 9.568 ( 0.000 0.000 -12.884) 12.884 10.510 ( 0.000 0.000 19.854) 19.854 10.811 ( 0.000 0.000 23.156) 23.156 10.878 ( 0.000 0.000 -16.583) 16.583 11.161 ( 0.000 0.000 2.620) 2.620 11.263 ( 0.000 0.000 -21.116) 21.116 11.278 ( 0.000 0.000 -8.681) 8.681 13.162 ( 0.000 0.000 31.662) 31.662 13.841 ( 0.000 0.000 -27.196) 27.196 14.033 ( 0.000 0.000 32.074) 32.074 14.145 ( 0.000 0.000 32.390) 32.390 14.699 ( 0.000 0.000 -21.023) 21.023 14.787 ( 0.000 0.000 22.139) 22.139 14.809 ( 0.000 0.000 -35.975) 35.975 15.231 ( 0.000 0.000 -22.391) 22.391 15.452 ( 0.000 0.000 13.010) 13.010 15.681 ( 0.000 0.000 -9.279) 9.279 16.344 ( 0.000 0.000 5.313) 5.313 16.448 ( 0.000 0.000 -4.907) 4.907 19.335 ( 0.000 0.000 3.409) 3.409 19.413 ( 0.000 0.000 -4.171) 4.171 19.784 ( 0.000 0.000 14.918) 14.918 20.034 ( 0.000 0.000 -10.046) 10.046 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 6.734 0.000 11.969) 13.733 2.317 ( -1.351 0.000 -3.639) 3.881 2.451 ( 5.380 0.000 15.732) 16.627 2.638 ( 4.220 0.000 7.095) 8.255 2.682 ( 4.082 0.000 -7.014) 8.115 2.928 ( 2.065 0.000 -18.906) 19.019 3.215 ( -7.936 0.000 3.327) 8.605 3.278 ( -6.561 0.000 -2.780) 7.126 3.485 ( -3.197 0.000 0.611) 3.255 3.568 ( -4.242 0.000 -6.933) 8.127 3.826 ( -3.826 0.000 6.539) 7.576 3.931 ( -3.701 0.000 -4.267) 5.649 4.876 ( -0.535 0.000 3.428) 3.470 4.952 ( 0.561 0.000 -3.772) 3.813 5.224 ( -4.538 0.000 16.855) 17.455 5.397 ( 2.027 0.000 -0.190) 2.036 5.603 ( 7.845 0.000 9.831) 12.577 5.706 ( 13.508 0.000 0.379) 13.513 5.920 ( 14.184 0.000 11.172) 18.055 6.068 ( 3.251 0.000 15.204) 15.548 6.272 ( 12.466 0.000 -11.006) 16.630 6.359 ( -0.744 0.000 0.065) 0.746 6.812 ( 19.485 0.000 -12.402) 23.097 6.894 ( -12.987 0.000 13.127) 18.465 6.923 ( 11.942 0.000 -25.661) 28.304 7.133 ( -22.903 0.000 -11.792) 25.761 7.847 ( 10.864 0.000 7.281) 13.078 8.016 ( 13.404 0.000 -8.691) 15.975 8.183 ( 5.804 0.000 4.876) 7.580 8.227 ( 2.582 0.000 -0.331) 2.603 8.307 ( 4.065 0.000 6.877) 7.988 8.482 ( 6.672 0.000 -10.090) 12.096 8.508 ( -3.988 0.000 14.195) 14.744 8.864 ( -7.609 0.000 -18.753) 20.237 9.383 ( 5.583 0.000 10.769) 12.131 9.561 ( 7.500 0.000 1.999) 7.762 9.607 ( 7.361 0.000 -2.558) 7.793 9.613 ( 3.449 0.000 -11.380) 11.892 10.482 ( -2.864 0.000 18.191) 18.415 10.793 ( -1.569 0.000 22.662) 22.716 10.845 ( -3.116 0.000 -17.566) 17.840 11.210 ( 4.140 0.000 2.597) 4.887 11.235 ( -2.465 0.000 -20.555) 20.703 11.305 ( 2.736 0.000 -6.624) 7.167 12.870 ( -21.800 0.000 30.589) 37.562 13.545 ( -24.311 0.000 -35.602) 43.110 14.214 ( 5.898 0.000 28.729) 29.328 14.364 ( 27.125 0.000 39.807) 48.170 14.686 ( -0.618 0.000 -15.479) 15.492 14.846 ( 5.177 0.000 18.074) 18.801 15.125 ( 24.272 0.000 -34.757) 42.393 15.201 ( -2.489 0.000 -14.540) 14.752 15.487 ( 4.037 0.000 15.306) 15.829 15.810 ( 12.273 0.000 -17.167) 21.103 16.353 ( 0.871 0.000 5.039) 5.114 16.450 ( 0.252 0.000 -4.562) 4.569 19.218 ( -11.142 0.000 5.088) 12.249 19.326 ( -8.396 0.000 -5.480) 10.026 19.744 ( -3.897 0.000 14.529) 15.042 19.991 ( -4.177 0.000 -10.148) 10.974 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -2.274 0.000 9.156) 9.434 2.328 ( 2.408 0.000 -3.860) 4.550 2.601 ( 8.937 0.000 13.429) 16.132 2.643 ( -3.788 0.000 5.510) 6.687 2.794 ( 6.607 0.000 -5.266) 8.448 2.868 ( -8.156 0.000 -14.067) 16.260 3.144 ( 0.968 0.000 0.455) 1.070 3.221 ( 1.610 0.000 -5.216) 5.459 3.389 ( -6.109 0.000 -1.051) 6.198 3.447 ( -7.373 0.000 -6.178) 9.619 3.798 ( 2.609 0.000 4.945) 5.591 3.881 ( -0.233 0.000 -3.449) 3.457 4.844 ( -2.484 0.000 3.640) 4.406 4.930 ( -2.713 0.000 -4.655) 5.388 5.105 ( -7.204 0.000 22.734) 23.848 5.474 ( 2.461 0.000 -9.656) 9.965 5.709 ( 0.067 0.000 16.394) 16.394 6.009 ( -1.395 0.000 -1.624) 2.141 6.010 ( 10.949 0.000 -10.364) 15.076 6.071 ( 0.982 0.000 -6.665) 6.737 6.528 ( 17.236 0.000 15.681) 23.302 6.705 ( 20.012 0.000 7.396) 21.335 6.722 ( -7.686 0.000 3.805) 8.577 6.813 ( 1.223 0.000 -2.786) 3.043 7.161 ( 12.485 0.000 -13.653) 18.501 7.252 ( 20.232 0.000 -13.643) 24.402 7.987 ( 3.244 0.000 8.432) 9.034 8.154 ( 1.447 0.000 -7.654) 7.790 8.266 ( 1.682 0.000 9.103) 9.257 8.344 ( 8.526 0.000 1.554) 8.667 8.470 ( 10.595 0.000 8.288) 13.452 8.486 ( 3.034 0.000 2.161) 3.725 8.649 ( 8.525 0.000 -9.108) 12.475 8.708 ( -6.458 0.000 -15.818) 17.086 9.517 ( 7.132 0.000 8.156) 10.834 9.687 ( 4.229 0.000 -7.698) 8.783 9.787 ( 14.225 0.000 1.895) 14.350 9.816 ( 12.729 0.000 -0.793) 12.754 10.392 ( -5.948 0.000 16.034) 17.102 10.756 ( -5.650 0.000 -19.332) 20.140 10.760 ( -1.214 0.000 21.361) 21.396 11.182 ( -2.063 0.000 -19.869) 19.976 11.301 ( 4.350 0.000 2.926) 5.242 11.379 ( 3.951 0.000 -4.366) 5.888 12.418 ( -21.951 0.000 25.823) 33.892 13.015 ( -26.811 0.000 -32.461) 42.101 14.334 ( 5.201 0.000 21.247) 21.874 14.671 ( -1.279 0.000 -11.622) 11.692 14.962 ( 30.342 0.000 35.508) 46.706 14.970 ( 5.922 0.000 12.725) 14.036 15.149 ( -2.311 0.000 -5.061) 5.563 15.625 ( 23.190 0.000 -29.499) 37.523 15.663 ( 14.748 0.000 22.839) 27.187 16.146 ( 20.064 0.000 -24.231) 31.460 16.381 ( 1.956 0.000 4.192) 4.626 16.460 ( 0.712 0.000 -3.574) 3.644 18.912 ( -18.272 0.000 8.287) 20.064 19.086 ( -14.934 0.000 -8.668) 17.267 19.636 ( -6.333 0.000 12.937) 14.404 19.870 ( -7.610 0.000 -10.174) 12.706 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -3.003 0.000 7.509) 8.087 2.316 ( -4.373 0.000 -9.093) 10.090 2.567 ( -1.666 0.000 4.055) 4.384 2.718 ( -5.718 0.000 -9.191) 10.825 2.789 ( 9.030 0.000 10.579) 13.909 2.928 ( 5.949 0.000 -2.033) 6.287 3.171 ( 1.340 0.000 2.015) 2.420 3.251 ( -0.035 0.000 -4.935) 4.935 3.255 ( -6.487 0.000 -2.797) 7.064 3.291 ( -7.395 0.000 -5.404) 9.159 3.917 ( 6.394 0.000 1.602) 6.592 3.963 ( 9.467 0.000 -2.395) 9.766 4.788 ( -2.644 0.000 2.442) 3.599 4.855 ( -4.224 0.000 -4.020) 5.831 4.943 ( -7.904 0.000 18.769) 20.365 5.374 ( -12.255 0.000 -22.429) 25.559 5.640 ( -4.301 0.000 12.409) 13.133 5.957 ( -11.979 0.000 -18.706) 22.213 6.057 ( 7.562 0.000 7.933) 10.960 6.174 ( 6.665 0.000 -3.650) 7.599 6.814 ( 10.758 0.000 12.553) 16.532 6.822 ( 14.212 0.000 13.675) 19.723 7.002 ( 11.685 0.000 -3.553) 12.213 7.005 ( 8.270 0.000 -0.264) 8.274 7.411 ( 11.933 0.000 1.235) 11.996 7.564 ( 9.807 0.000 -7.843) 12.558 8.013 ( 0.162 0.000 6.717) 6.719 8.137 ( -2.370 0.000 -5.144) 5.664 8.312 ( 3.012 0.000 6.816) 7.452 8.470 ( 1.243 0.000 -4.119) 4.303 8.575 ( 5.316 0.000 0.207) 5.320 8.669 ( 8.501 0.000 6.498) 10.700 8.692 ( 5.767 0.000 -8.157) 9.990 8.790 ( 5.035 0.000 -5.247) 7.272 9.657 ( 6.834 0.000 6.716) 9.582 9.812 ( 8.450 0.000 -8.242) 11.804 10.059 ( 11.220 0.000 4.151) 11.963 10.098 ( 13.160 0.000 0.040) 13.160 10.253 ( -7.304 0.000 16.067) 17.649 10.613 ( -8.750 0.000 -18.641) 20.592 10.781 ( 4.656 0.000 19.184) 19.740 11.186 ( 2.985 0.000 -20.366) 20.583 11.374 ( 2.895 0.000 1.755) 3.386 11.442 ( 1.872 0.000 -4.142) 4.545 12.001 ( -18.789 0.000 19.433) 27.031 12.486 ( -25.249 0.000 -27.744) 37.514 14.423 ( 3.917 0.000 15.065) 15.566 14.630 ( -2.634 0.000 -4.920) 5.581 15.051 ( 2.198 0.000 5.181) 5.628 15.114 ( -1.243 0.000 -1.024) 1.611 15.539 ( 25.627 0.000 26.615) 36.947 15.996 ( 12.162 0.000 -17.897) 21.638 16.083 ( 25.254 0.000 25.998) 36.244 16.437 ( 3.541 0.000 2.447) 4.304 16.485 ( 2.031 0.000 -2.180) 2.980 16.566 ( 19.571 0.000 -20.685) 28.476 18.523 ( -18.777 0.000 8.886) 20.774 18.743 ( -18.345 0.000 -12.021) 21.933 19.511 ( -5.295 0.000 8.910) 10.364 19.697 ( -9.070 0.000 -9.157) 12.889 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 1.239 0.000 1.609) 2.031 2.199 ( -5.664 0.000 -5.297) 7.755 2.579 ( 1.970 0.000 -1.027) 2.221 2.631 ( -3.238 0.000 -5.414) 6.309 2.940 ( 5.475 0.000 7.765) 9.501 2.999 ( 0.194 0.000 3.757) 3.762 3.160 ( -1.959 0.000 -5.438) 5.780 3.178 ( -3.339 0.000 -5.552) 6.479 3.198 ( 1.377 0.000 1.210) 1.833 3.229 ( -1.613 0.000 -1.686) 2.334 4.059 ( 7.047 0.000 4.645) 8.440 4.124 ( 2.888 0.000 -0.205) 2.895 4.753 ( -0.447 0.000 0.046) 0.449 4.778 ( -2.873 0.000 -2.345) 3.709 4.867 ( 2.968 0.000 2.258) 3.730 5.074 ( -15.077 0.000 -16.442) 22.308 5.607 ( 1.810 0.000 1.936) 2.651 5.722 ( -9.386 0.000 -9.299) 13.212 6.222 ( 6.624 0.000 6.707) 9.427 6.274 ( 1.839 0.000 1.530) 2.392 6.978 ( 5.964 0.000 5.745) 8.281 7.059 ( -1.621 0.000 -0.957) 1.882 7.085 ( 9.559 0.000 8.803) 12.995 7.161 ( 2.515 0.000 1.691) 3.031 7.603 ( 6.433 0.000 3.016) 7.105 7.663 ( 0.626 0.000 -1.660) 1.774 8.023 ( 1.416 0.000 2.634) 2.991 8.075 ( -3.330 0.000 -2.218) 4.001 8.373 ( 2.894 0.000 1.832) 3.425 8.431 ( -2.890 0.000 -3.136) 4.265 8.718 ( 6.540 0.000 2.201) 6.900 8.782 ( 0.946 0.000 -3.088) 3.229 8.802 ( 4.544 0.000 3.536) 5.758 8.846 ( 0.347 0.000 -0.681) 0.765 9.809 ( 8.219 0.000 6.886) 10.723 9.942 ( -1.212 0.000 -3.644) 3.840 10.182 ( 5.363 0.000 5.172) 7.450 10.222 ( 4.823 0.000 6.312) 7.944 10.254 ( 2.134 0.000 3.370) 3.989 10.400 ( -12.054 0.000 -13.133) 17.826 10.986 ( 14.601 0.000 12.114) 18.972 11.230 ( -4.294 0.000 -7.737) 8.849 11.422 ( 1.959 0.000 -1.266) 2.333 11.451 ( -0.719 0.000 -3.671) 3.741 11.756 ( -0.010 0.000 0.586) 0.586 12.014 ( -20.589 0.000 -20.905) 29.341 14.499 ( 3.615 0.000 9.388) 10.060 14.569 ( -3.311 0.000 2.746) 4.302 15.078 ( 0.891 0.000 1.705) 1.924 15.095 ( -0.780 0.000 0.218) 0.809 15.950 ( 14.063 0.000 12.179) 18.603 16.101 ( -1.251 0.000 -2.973) 3.226 16.504 ( 2.855 0.000 2.353) 3.699 16.530 ( 1.037 0.000 0.315) 1.084 16.587 ( 21.708 0.000 18.320) 28.405 16.818 ( 1.657 0.000 -2.790) 3.245 18.255 ( -4.388 0.000 -0.516) 4.418 18.388 ( -14.979 0.000 -11.988) 19.185 19.455 ( 0.319 0.000 1.785) 1.813 19.530 ( -6.702 0.000 -5.382) 8.596 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.000 4.327 12.438) 13.169 2.236 ( 0.000 -6.651 6.833) 9.536 2.441 ( 0.000 -7.856 6.759) 10.363 2.489 ( 0.000 4.701 -1.126) 4.834 2.757 ( 0.000 7.177 -2.416) 7.573 2.875 ( 0.000 0.836 -14.717) 14.741 3.211 ( 0.000 -11.101 0.059) 11.101 3.244 ( 0.000 -9.970 -3.001) 10.412 3.508 ( 0.000 -1.372 1.340) 1.918 3.548 ( 0.000 -5.377 0.682) 5.420 3.800 ( 0.000 -4.123 -3.006) 5.102 3.842 ( 0.000 -9.396 -5.254) 10.765 5.070 ( 0.000 12.499 2.551) 12.757 5.075 ( 0.000 7.035 1.673) 7.232 5.299 ( 0.000 3.933 8.003) 8.917 5.409 ( 0.000 1.095 -1.400) 1.777 5.502 ( 0.000 -0.975 6.395) 6.469 5.555 ( 0.000 3.096 3.630) 4.771 5.880 ( 0.000 14.294 15.264) 20.912 6.015 ( 0.000 6.697 31.402) 32.108 6.314 ( 0.000 8.484 -17.767) 19.688 6.419 ( 0.000 -2.408 1.055) 2.629 6.525 ( 0.000 -3.012 -7.932) 8.485 6.806 ( 0.000 4.016 -36.537) 36.757 7.032 ( 0.000 -6.281 22.838) 23.686 7.461 ( 0.000 -5.596 -18.691) 19.511 7.704 ( 0.000 -3.814 -0.334) 3.829 7.710 ( 0.000 1.308 -1.622) 2.083 7.933 ( 0.000 -11.780 4.967) 12.785 8.035 ( 0.000 -13.279 -4.475) 14.013 8.260 ( 0.000 -0.479 3.009) 3.047 8.371 ( 0.000 -2.092 -7.949) 8.219 8.756 ( 0.000 13.159 15.289) 20.172 9.034 ( 0.000 5.208 -10.110) 11.373 9.297 ( 0.000 -1.784 9.399) 9.567 9.529 ( 0.000 -3.364 -12.281) 12.733 9.567 ( 0.000 2.783 -0.662) 2.860 9.596 ( 0.000 9.483 -3.882) 10.247 10.414 ( 0.000 -8.305 18.724) 20.483 10.684 ( 0.000 -8.149 0.466) 8.162 10.952 ( 0.000 3.800 3.748) 5.337 11.113 ( 0.000 -1.163 -0.861) 1.447 11.319 ( 0.000 3.507 -7.820) 8.570 11.378 ( 0.000 6.506 -16.346) 17.593 13.333 ( 0.000 15.570 30.091) 33.880 13.957 ( 0.000 9.780 -12.663) 16.000 14.075 ( 0.000 4.246 19.669) 20.122 14.169 ( 0.000 2.178 32.494) 32.567 14.732 ( 0.000 3.120 -21.426) 21.652 14.748 ( 0.000 -2.000 11.242) 11.418 14.854 ( 0.000 2.420 -25.078) 25.195 15.206 ( 0.000 -2.558 -21.617) 21.768 15.393 ( 0.000 -5.047 12.212) 13.214 15.617 ( 0.000 -5.547 -8.776) 10.382 16.077 ( 0.000 -22.971 6.721) 23.934 16.212 ( 0.000 -20.209 -6.713) 21.295 19.422 ( 0.000 6.896 4.266) 8.109 19.505 ( 0.000 6.979 -3.339) 7.736 19.810 ( 0.000 2.536 13.033) 13.278 20.041 ( 0.000 0.473 -9.565) 9.577 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 5.677 2.756 8.224) 10.366 2.240 ( -0.035 -5.324 5.555) 7.695 2.443 ( 1.935 -4.610 8.998) 10.294 2.528 ( 1.544 -1.403 -1.374) 2.498 2.829 ( 6.138 6.137 -0.944) 8.731 2.932 ( 5.115 2.157 -13.597) 14.686 3.118 ( -7.210 -10.039 -0.611) 12.375 3.153 ( -7.298 -8.657 -3.469) 11.843 3.468 ( -3.661 -1.746 0.638) 4.106 3.505 ( -4.124 -5.428 -0.869) 6.872 3.758 ( -3.496 -3.680 -2.019) 5.463 3.801 ( -3.297 -8.685 -4.880) 10.494 5.066 ( -0.373 12.153 4.674) 13.026 5.142 ( 4.069 12.195 -2.154) 13.035 5.282 ( -1.782 7.095 15.131) 16.806 5.435 ( 3.052 4.643 -1.046) 5.654 5.568 ( 6.670 -2.541 11.266) 13.337 5.708 ( 12.392 -0.146 -1.948) 12.545 6.002 ( 7.859 6.130 11.830) 15.469 6.142 ( 9.900 7.336 21.174) 24.499 6.298 ( -2.420 1.256 -14.580) 14.832 6.382 ( 6.009 3.630 4.234) 8.198 6.753 ( 16.586 -3.246 -12.201) 20.844 6.870 ( -5.099 -2.394 8.164) 9.919 6.917 ( 4.864 -0.473 -21.455) 22.005 7.133 ( -18.977 -0.729 -12.589) 22.785 7.812 ( 5.133 -7.194 5.646) 10.487 7.920 ( 9.507 -9.986 -4.335) 14.453 8.053 ( 10.295 -5.069 3.482) 11.992 8.127 ( 9.795 -6.541 -2.783) 12.102 8.304 ( 4.168 -1.026 1.501) 4.548 8.413 ( 4.481 -2.974 -8.520) 10.075 8.707 ( -3.434 13.957 14.663) 20.533 9.000 ( -3.161 8.867 -13.180) 16.197 9.352 ( 5.230 -2.506 10.445) 11.947 9.554 ( 3.258 -3.279 -7.403) 8.727 9.629 ( 6.064 1.682 -0.615) 6.323 9.662 ( 5.327 6.998 -5.426) 10.334 10.393 ( -2.173 -7.789 17.449) 19.232 10.669 ( -1.474 -7.386 -1.081) 7.609 10.930 ( -2.106 3.876 3.913) 5.896 11.124 ( 0.594 -2.220 -2.532) 3.420 11.334 ( 1.481 2.719 -6.249) 6.974 11.373 ( -0.230 6.459 -14.055) 15.469 13.040 ( -20.873 15.449 29.412) 39.235 13.679 ( -23.288 12.006 -33.230) 42.317 14.228 ( 6.482 1.217 29.031) 29.771 14.412 ( 26.234 4.223 38.170) 46.508 14.702 ( -0.521 1.359 -12.699) 12.783 14.815 ( 3.876 -2.802 14.405) 15.178 15.142 ( 9.012 -1.217 -23.505) 25.202 15.190 ( 11.777 1.276 -24.689) 27.384 15.428 ( 3.898 -5.089 14.816) 16.144 15.732 ( 10.054 -7.288 -15.048) 19.510 16.091 ( 1.453 -22.319 6.548) 23.305 16.228 ( 1.933 -18.385 -7.317) 19.882 19.320 ( -9.787 8.030 5.617) 13.850 19.429 ( -7.356 7.905 -4.745) 11.794 19.764 ( -4.344 2.049 12.974) 13.834 19.996 ( -4.366 0.279 -9.730) 10.668 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -1.957 -0.655 7.043) 7.339 2.304 ( 4.024 -0.880 -1.939) 4.553 2.524 ( 3.809 -6.473 3.770) 8.404 2.529 ( 0.520 -4.272 4.100) 5.944 2.857 ( -6.221 -1.370 2.846) 6.977 2.968 ( -1.059 7.466 -8.537) 11.390 3.047 ( 1.153 -9.539 -0.189) 9.610 3.137 ( 6.984 -3.714 -7.736) 11.064 3.367 ( -6.097 -2.001 -1.560) 6.604 3.397 ( -6.172 -5.149 -4.141) 9.041 3.698 ( -1.386 -5.413 0.409) 5.602 3.744 ( -1.573 -8.658 -3.608) 9.511 5.024 ( -3.840 10.683 9.511) 14.810 5.167 ( -1.747 17.158 -4.966) 17.947 5.226 ( -3.879 12.521 18.014) 22.278 5.528 ( 3.723 5.030 -8.018) 10.171 5.679 ( 1.850 -2.121 15.989) 16.235 5.949 ( 8.126 -3.268 -8.429) 12.155 6.068 ( 0.532 4.715 -2.740) 5.479 6.157 ( -3.139 4.852 -10.512) 11.996 6.477 ( 13.962 -2.809 17.048) 22.214 6.637 ( 15.424 -1.918 12.244) 19.786 6.794 ( -4.767 2.576 -3.158) 6.272 6.898 ( 10.999 6.906 -0.413) 12.993 7.094 ( 10.699 -7.029 -12.656) 18.001 7.162 ( 14.521 -5.572 -10.674) 18.864 7.884 ( 3.033 -8.914 7.377) 11.962 8.029 ( 2.822 -10.443 -6.302) 12.519 8.294 ( 10.827 1.493 5.954) 12.446 8.332 ( 9.278 -0.300 0.639) 9.304 8.423 ( 7.689 -2.668 -1.591) 8.292 8.532 ( 5.624 -2.966 -9.053) 11.063 8.680 ( 2.151 13.989 12.457) 18.855 8.946 ( -1.271 12.954 -13.351) 18.646 9.479 ( 6.651 -3.286 8.400) 11.206 9.644 ( 4.934 -4.041 -6.695) 9.246 9.799 ( 10.092 -1.144 0.807) 10.189 9.822 ( 11.058 2.885 -1.676) 11.550 10.327 ( -4.025 -5.839 15.706) 17.233 10.632 ( -1.816 -5.561 -5.997) 8.378 10.869 ( -3.755 3.894 5.839) 7.960 11.120 ( -0.824 -3.156 -7.171) 7.878 11.369 ( 0.976 1.896 -5.714) 6.099 11.380 ( 1.225 2.869 -6.626) 7.324 12.629 ( -18.858 18.812 24.257) 36.026 13.183 ( -24.457 15.044 -29.946) 41.487 14.356 ( 5.589 1.898 20.934) 21.750 14.685 ( -0.978 1.184 -10.757) 10.866 14.900 ( 6.358 -5.641 13.581) 16.021 14.993 ( 24.567 0.573 28.685) 37.772 15.108 ( 0.157 -3.100 -1.775) 3.576 15.561 ( 11.082 -7.437 11.511) 17.625 15.669 ( 21.619 0.829 -19.693) 29.255 15.954 ( 10.445 -17.205 -14.478) 24.794 16.148 ( 4.592 -18.777 6.607) 20.429 16.331 ( 9.683 -8.391 -12.599) 17.970 19.053 ( -15.761 11.093 8.021) 20.876 19.218 ( -13.071 10.381 -7.970) 18.497 19.646 ( -6.939 0.907 12.069) 13.951 19.870 ( -7.875 -0.177 -9.912) 12.661 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -1.360 2.575 6.342) 6.979 2.327 ( -2.303 1.012 -8.002) 8.388 2.510 ( 0.326 -4.039 3.232) 5.183 2.612 ( 1.250 -6.010 -4.327) 7.510 2.781 ( 1.178 -3.635 8.527) 9.344 2.939 ( -0.321 -0.942 -6.083) 6.164 3.115 ( 2.661 -5.460 5.194) 7.992 3.213 ( -2.078 -0.427 -0.666) 2.224 3.245 ( -4.747 -0.538 -3.905) 6.170 3.289 ( -1.894 -3.259 -10.068) 10.750 3.713 ( 2.143 -12.153 1.129) 12.392 3.760 ( 2.896 -12.240 -2.981) 12.926 4.936 ( -3.842 6.407 11.076) 13.360 5.098 ( -4.795 15.625 -5.193) 17.149 5.138 ( -3.793 17.648 10.905) 21.089 5.458 ( -10.401 7.438 -18.315) 22.337 5.645 ( -2.751 1.835 11.755) 12.212 5.957 ( -10.430 0.627 -18.598) 21.333 6.120 ( 7.155 5.467 4.022) 9.862 6.169 ( 7.424 0.765 -1.268) 7.571 6.741 ( 11.988 -4.909 12.170) 17.774 6.923 ( 10.525 0.871 1.333) 10.645 6.935 ( 13.219 2.093 11.058) 17.361 7.135 ( 9.831 6.967 -3.913) 12.669 7.280 ( 8.190 -8.929 1.020) 12.159 7.385 ( 6.318 -12.093 -5.260) 14.623 7.952 ( 3.461 -6.501 5.251) 9.045 8.058 ( 0.218 -6.948 -4.713) 8.399 8.422 ( 3.002 6.458 7.198) 10.126 8.508 ( 7.518 2.391 3.329) 8.562 8.573 ( 4.063 1.064 -3.975) 5.783 8.646 ( 8.093 -1.259 -7.258) 10.943 8.791 ( 7.025 9.846 6.995) 13.972 8.953 ( 1.347 11.634 -8.905) 14.713 9.607 ( 6.135 -4.199 6.451) 9.843 9.761 ( 6.524 -4.747 -8.493) 11.715 9.997 ( 8.174 -4.659 5.584) 10.941 10.065 ( 11.050 -1.990 -1.247) 11.297 10.256 ( -1.915 -1.293 14.403) 14.588 10.595 ( -3.174 -1.795 -16.533) 16.930 10.812 ( 0.348 2.301 15.100) 15.279 11.120 ( 1.778 -4.958 -10.847) 12.058 11.353 ( -3.015 -0.583 -3.431) 4.604 11.392 ( -0.889 -2.300 -4.369) 5.017 12.308 ( -11.976 25.268 15.396) 31.921 12.718 ( -21.169 20.158 -24.183) 37.938 14.450 ( 3.929 2.388 14.428) 15.143 14.648 ( -2.540 1.608 -4.725) 5.600 14.984 ( 2.850 -6.373 5.892) 9.136 15.061 ( -0.913 -4.896 -1.835) 5.307 15.518 ( 20.471 -5.734 22.893) 31.241 15.786 ( 8.239 -20.320 4.193) 22.324 16.001 ( 12.032 -15.107 1.693) 19.387 16.185 ( 13.013 -7.207 -9.419) 17.607 16.307 ( 11.871 -8.427 10.218) 17.786 16.599 ( 14.140 -2.137 -15.297) 20.941 18.727 ( -15.058 15.684 7.650) 23.049 18.922 ( -15.634 13.990 -10.815) 23.603 19.509 ( -5.801 -0.310 8.607) 10.384 19.691 ( -9.320 -0.699 -9.079) 13.030 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 1.684 4.671 1.630) 5.226 2.244 ( -4.492 4.028 -4.321) 7.421 2.543 ( 2.313 -2.923 -0.513) 3.763 2.590 ( -2.177 -3.311 -4.153) 5.741 2.860 ( 4.592 -6.284 4.916) 9.205 2.929 ( -1.712 -5.430 -1.251) 5.830 3.105 ( -1.694 -4.308 -0.402) 4.646 3.123 ( -3.617 -3.126 -2.198) 5.261 3.246 ( 3.102 2.004 0.292) 3.704 3.288 ( -0.553 2.584 -2.943) 3.956 3.766 ( 2.776 -18.293 1.809) 18.591 3.802 ( 0.055 -18.939 -1.141) 18.973 4.915 ( 2.269 4.532 2.937) 5.858 4.996 ( -4.789 9.683 -3.331) 11.304 5.103 ( 1.067 19.852 0.229) 19.882 5.220 ( -10.491 13.729 -11.679) 20.855 5.633 ( 2.222 4.343 1.717) 5.171 5.743 ( -8.627 3.414 -9.170) 13.045 6.273 ( 5.478 5.233 4.833) 8.986 6.295 ( 3.390 2.805 2.335) 4.982 6.929 ( 6.592 -6.093 5.065) 10.307 7.007 ( -0.761 -5.448 -1.104) 5.610 7.190 ( 9.459 7.556 9.400) 15.328 7.267 ( 2.208 7.475 2.458) 8.173 7.401 ( 3.606 -10.637 1.766) 11.370 7.439 ( -0.193 -14.115 -1.834) 14.235 8.009 ( 2.122 -4.927 2.720) 6.015 8.044 ( -1.386 -4.995 -0.727) 5.234 8.478 ( 2.927 7.769 3.304) 8.936 8.534 ( -2.081 6.969 -0.999) 7.341 8.705 ( 6.139 -0.394 1.439) 6.318 8.757 ( 1.524 -0.584 -2.688) 3.145 8.912 ( 4.549 8.750 3.157) 10.355 8.967 ( -0.710 9.528 -2.653) 9.915 9.735 ( 6.300 -6.048 4.943) 10.035 9.829 ( -1.579 -8.342 -2.800) 8.940 10.145 ( 7.418 -2.798 3.162) 8.536 10.205 ( 2.120 -3.701 -0.090) 4.266 10.278 ( 4.342 2.570 6.613) 8.318 10.450 ( -10.206 2.519 -10.406) 14.792 10.958 ( 12.502 -2.042 11.158) 16.882 11.199 ( -0.240 -10.748 -0.621) 10.768 11.224 ( -4.236 -0.719 -7.240) 8.419 11.333 ( -4.955 -5.980 -6.985) 10.445 12.191 ( 1.229 30.424 0.446) 30.452 12.354 ( -14.024 26.889 -14.757) 33.726 14.523 ( 3.409 2.195 8.761) 9.654 14.589 ( -3.155 1.829 2.473) 4.406 15.025 ( 1.424 -4.852 2.224) 5.524 15.047 ( -0.752 -4.263 0.205) 4.334 15.786 ( 6.820 -23.723 5.889) 25.377 15.852 ( -0.471 -28.010 -0.970) 28.031 16.244 ( 10.937 -9.103 9.251) 16.972 16.355 ( 1.428 -3.614 -0.555) 3.925 16.608 ( 15.195 -2.477 13.092) 20.210 16.776 ( 0.720 -3.829 -2.104) 4.428 18.524 ( -2.958 19.873 -0.365) 20.095 18.629 ( -11.810 18.266 -9.696) 23.815 19.445 ( 0.132 -1.067 1.683) 1.997 19.520 ( -6.825 -1.103 -5.440) 8.797 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.000 -4.308 7.612) 8.747 2.144 ( 0.000 -3.623 1.832) 4.060 2.387 ( 0.000 4.470 10.840) 11.725 2.548 ( 0.000 0.449 -3.399) 3.428 2.764 ( 0.000 -8.911 -0.844) 8.951 2.837 ( 0.000 -13.794 -6.561) 15.275 3.048 ( 0.000 8.007 -1.737) 8.193 3.175 ( 0.000 7.789 -9.516) 12.297 3.448 ( 0.000 -4.203 2.163) 4.727 3.467 ( 0.000 -1.896 1.385) 2.348 3.644 ( 0.000 -8.769 -4.938) 10.064 3.685 ( 0.000 -7.704 -8.451) 11.436 5.146 ( 0.000 1.370 2.100) 2.508 5.186 ( 0.000 -0.158 -1.276) 1.286 5.373 ( 0.000 2.097 10.041) 10.258 5.461 ( 0.000 -1.894 3.591) 4.060 5.606 ( 0.000 13.102 6.134) 14.467 5.721 ( 0.000 9.111 -2.570) 9.466 6.171 ( 0.000 8.231 7.192) 10.930 6.212 ( 0.000 11.191 30.069) 32.084 6.327 ( 0.000 -3.091 -1.617) 3.488 6.556 ( 0.000 10.031 -2.885) 10.438 6.613 ( 0.000 16.328 -6.473) 17.565 6.795 ( 0.000 -10.470 18.859) 21.570 6.984 ( 0.000 7.720 -26.528) 27.628 7.273 ( 0.000 -12.029 -17.464) 21.206 7.448 ( 0.000 -18.059 4.919) 18.717 7.579 ( 0.000 -15.181 -8.962) 17.629 7.769 ( 0.000 -4.035 -1.280) 4.233 7.797 ( 0.000 -5.542 -3.879) 6.764 8.299 ( 0.000 3.573 1.611) 3.919 8.365 ( 0.000 0.990 -4.828) 4.929 9.002 ( 0.000 8.115 10.291) 13.105 9.108 ( 0.000 1.219 2.372) 2.667 9.273 ( 0.000 0.414 2.441) 2.476 9.435 ( 0.000 -5.105 -10.219) 11.423 9.662 ( 0.000 7.155 7.361) 10.266 9.858 ( 0.000 13.959 -10.625) 17.542 10.184 ( 0.000 -12.385 16.965) 21.005 10.472 ( 0.000 -11.829 -8.740) 14.708 11.046 ( 0.000 4.807 8.241) 9.540 11.123 ( 0.000 1.236 2.337) 2.643 11.406 ( 0.000 4.042 -8.447) 9.364 11.477 ( 0.000 2.323 -15.032) 15.211 13.797 ( 0.000 26.097 24.774) 35.983 14.119 ( 0.000 4.338 39.260) 39.499 14.233 ( 0.000 3.966 32.845) 33.083 14.301 ( 0.000 15.732 -23.843) 28.565 14.710 ( 0.000 -1.756 17.036) 17.126 14.837 ( 0.000 6.821 -22.981) 23.972 14.902 ( 0.000 2.096 -32.361) 32.429 15.110 ( 0.000 -6.183 -17.031) 18.119 15.220 ( 0.000 -15.940 9.264) 18.437 15.470 ( 0.000 -7.632 -8.522) 11.441 15.523 ( 0.000 -20.165 7.718) 21.592 15.688 ( 0.000 -25.760 -10.586) 27.850 19.569 ( 0.000 5.730 5.901) 8.225 19.629 ( 0.000 3.447 2.129) 4.052 19.898 ( 0.000 5.369 4.682) 7.124 20.044 ( 0.000 -0.544 -7.649) 7.669 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 2.403 -3.302 6.737) 7.878 2.200 ( 4.560 -4.326 -0.250) 6.290 2.408 ( 1.579 4.481 10.467) 11.495 2.541 ( -1.762 0.535 -2.014) 2.729 2.735 ( -1.852 -11.648 0.600) 11.810 2.810 ( -2.211 -14.051 -5.574) 15.277 3.067 ( 1.820 7.932 -3.888) 9.019 3.161 ( -1.384 7.637 -9.120) 11.975 3.410 ( -3.424 -3.515 0.720) 4.960 3.420 ( -4.192 -1.540 0.586) 4.504 3.613 ( -2.370 -8.126 -3.141) 9.028 3.669 ( -1.641 -5.806 -7.954) 9.984 5.218 ( 4.854 4.035 7.299) 9.650 5.310 ( 11.131 3.304 -2.521) 11.882 5.475 ( 7.889 1.239 10.879) 13.495 5.551 ( 1.010 4.767 12.092) 13.037 5.614 ( 6.022 9.200 -1.749) 11.134 5.737 ( 2.415 5.164 -5.433) 7.875 6.130 ( 0.811 5.478 12.247) 13.441 6.260 ( -1.192 -1.005 2.903) 3.295 6.366 ( 5.659 6.432 15.467) 17.681 6.548 ( -0.289 10.828 1.194) 10.897 6.723 ( 6.617 -1.455 2.721) 7.301 6.836 ( 7.275 4.299 3.120) 9.008 6.940 ( -2.160 2.685 -27.274) 27.491 7.092 ( -10.255 -2.160 -13.552) 17.132 7.519 ( 5.222 -17.214 4.357) 18.509 7.607 ( 4.750 -17.977 -4.321) 19.090 7.975 ( 15.775 -3.305 -1.648) 16.202 7.998 ( 14.966 -5.105 -3.874) 16.280 8.337 ( 3.417 3.288 0.804) 4.810 8.397 ( 3.375 0.727 -4.912) 6.004 8.985 ( -0.704 10.571 11.004) 15.275 9.153 ( 3.096 4.594 -3.471) 6.537 9.292 ( 2.329 -2.345 5.788) 6.665 9.452 ( 2.003 -5.722 -8.172) 10.175 9.693 ( 3.071 5.568 6.987) 9.448 9.880 ( 2.117 12.497 -10.076) 16.192 10.174 ( -0.970 -11.809 16.032) 19.936 10.472 ( -0.022 -11.363 -10.247) 15.301 11.019 ( -2.586 4.557 8.590) 10.062 11.115 ( -0.936 0.414 1.721) 2.003 11.410 ( 0.321 3.862 -7.249) 8.220 11.472 ( -0.509 2.456 -13.825) 14.051 13.494 ( -18.157 25.342 25.787) 40.458 14.017 ( -19.550 17.146 -23.167) 34.827 14.256 ( 4.911 1.411 26.326) 26.817 14.528 ( 21.754 6.095 30.182) 37.700 14.708 ( -0.202 -5.617 16.186) 17.135 14.763 ( 0.020 2.608 -13.563) 13.811 15.025 ( -4.787 -9.094 -15.463) 18.566 15.250 ( 16.578 -3.023 -22.180) 27.856 15.291 ( 7.601 -5.025 7.617) 11.876 15.484 ( 4.006 -15.661 -0.707) 16.181 15.582 ( 3.733 -16.194 2.388) 16.789 15.815 ( 13.305 -16.719 -17.975) 27.922 19.493 ( -7.281 6.909 6.699) 12.067 19.574 ( -5.340 4.054 0.919) 6.768 19.840 ( -5.597 4.961 4.939) 8.963 19.993 ( -4.933 -0.893 -8.028) 9.465 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 3.101 -0.864 5.234) 6.145 2.297 ( 4.248 -2.301 -4.447) 6.567 2.447 ( 2.819 1.106 5.428) 6.216 2.477 ( -3.223 -0.346 1.023) 3.399 2.696 ( -2.342 -10.738 4.885) 12.028 2.783 ( 0.286 -12.034 -2.534) 12.301 3.081 ( -2.493 2.874 -5.301) 6.525 3.137 ( 0.081 0.087 -9.682) 9.682 3.320 ( -4.995 -0.113 -0.634) 5.037 3.329 ( -4.392 -0.665 -1.430) 4.667 3.576 ( -1.056 -5.360 -1.210) 5.595 3.624 ( -2.520 -3.560 -5.821) 7.274 5.217 ( -5.379 8.501 17.322) 20.031 5.476 ( -4.999 3.240 14.800) 15.953 5.503 ( 1.134 12.430 -9.397) 15.623 5.624 ( 6.147 4.568 2.384) 8.021 5.742 ( 4.457 8.414 1.385) 9.622 5.860 ( 8.546 -5.127 -5.793) 11.527 6.198 ( 2.670 4.178 -3.324) 5.970 6.222 ( -0.054 5.426 -3.980) 6.730 6.490 ( 7.003 3.662 14.818) 16.794 6.623 ( 9.235 0.619 6.161) 11.119 6.837 ( 4.713 -7.390 -4.256) 9.743 6.890 ( 0.317 -4.504 -10.320) 11.264 7.021 ( 11.836 6.372 2.326) 13.642 7.151 ( 11.262 5.860 -6.157) 14.110 7.638 ( 6.221 -12.999 5.658) 15.482 7.734 ( 6.812 -16.282 -3.313) 17.958 8.291 ( 13.252 -0.873 -0.366) 13.286 8.324 ( 17.314 -0.792 -2.665) 17.536 8.429 ( 5.957 2.673 0.631) 6.560 8.502 ( 6.369 -0.719 -5.576) 8.495 8.991 ( 1.434 13.618 10.437) 17.218 9.192 ( 0.827 9.342 -8.948) 12.962 9.384 ( 6.170 -5.499 7.861) 11.406 9.522 ( 4.848 -6.847 -5.684) 10.133 9.786 ( 5.935 1.680 6.490) 8.954 9.948 ( 4.815 8.945 -8.226) 13.071 10.148 ( -1.310 -10.274 14.723) 18.001 10.473 ( 0.236 -10.317 -13.969) 17.368 10.948 ( -4.161 4.155 9.585) 11.245 11.082 ( -2.177 -1.138 -0.531) 2.513 11.408 ( -0.934 2.854 -4.637) 5.525 11.453 ( -1.623 2.239 -10.498) 10.856 13.176 ( -12.735 30.839 19.971) 38.885 13.620 ( -18.573 24.317 -23.006) 38.282 14.377 ( 6.623 -3.190 20.045) 21.351 14.687 ( 0.554 -10.363 11.368) 15.393 14.705 ( -0.410 -4.605 -10.386) 11.368 14.876 ( -1.599 -11.201 -3.836) 11.947 15.076 ( 11.780 -1.675 18.584) 22.067 15.345 ( -3.239 -15.923 -1.860) 16.355 15.432 ( 11.215 -8.912 12.194) 18.812 15.751 ( 15.539 -15.424 17.241) 27.868 15.833 ( 22.152 5.254 -23.357) 32.617 16.156 ( 18.616 -8.146 -21.055) 29.261 19.295 ( -11.537 9.983 7.895) 17.178 19.424 ( -9.138 6.373 -2.777) 11.481 19.685 ( -9.307 3.269 5.830) 11.458 19.852 ( -8.747 -1.814 -8.769) 12.518 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 2.815 3.167 4.290) 6.029 2.359 ( 1.539 1.543 -6.857) 7.195 2.440 ( 0.439 -2.374 1.960) 3.110 2.507 ( 1.517 -3.342 -3.862) 5.328 2.678 ( 1.530 -4.257 9.988) 10.964 2.818 ( 2.291 -8.537 0.085) 8.840 3.001 ( -3.871 -3.708 -1.957) 5.706 3.121 ( -3.041 -9.007 -9.413) 13.378 3.240 ( -2.889 -0.027 -1.667) 3.335 3.253 ( -0.812 1.718 -2.629) 3.244 3.546 ( -2.783 -4.135 0.355) 4.997 3.581 ( -1.893 -4.268 -3.046) 5.574 5.085 ( -5.582 7.801 13.877) 16.870 5.351 ( -6.507 0.595 10.918) 12.724 5.377 ( -9.426 9.479 -11.508) 17.639 5.603 ( -9.021 3.354 -11.238) 14.796 5.818 ( 4.146 11.896 6.490) 14.172 5.995 ( 1.531 1.902 -11.043) 11.310 6.245 ( 7.592 10.676 3.424) 13.540 6.339 ( 8.373 12.826 -4.864) 16.071 6.621 ( 4.744 -3.839 10.529) 12.170 6.811 ( 2.685 -8.047 -5.183) 9.941 6.941 ( 9.771 -7.999 5.859) 13.920 7.038 ( 10.878 -11.732 -0.617) 16.011 7.271 ( 11.305 7.530 6.702) 15.147 7.358 ( 8.406 7.686 -1.404) 11.476 7.755 ( 4.933 -10.262 5.186) 12.512 7.845 ( 3.573 -12.437 -2.738) 13.226 8.503 ( 7.640 2.264 5.709) 9.802 8.572 ( 7.947 2.443 1.106) 8.387 8.601 ( 6.026 1.050 -0.960) 6.192 8.646 ( 9.224 0.669 -6.320) 11.201 9.049 ( 4.356 12.991 6.685) 15.246 9.206 ( 0.866 10.245 -8.288) 13.206 9.504 ( 5.282 -4.803 5.213) 8.840 9.622 ( 3.884 -7.476 -6.135) 10.422 9.923 ( 7.654 -1.177 6.866) 10.350 10.065 ( 5.625 3.300 -7.355) 9.830 10.152 ( 2.769 -7.881 14.239) 16.509 10.480 ( -0.204 -9.622 -17.320) 19.814 10.878 ( -1.410 4.162 11.300) 12.124 11.044 ( -0.784 -2.428 -3.403) 4.254 11.349 ( -5.398 1.145 -1.945) 5.851 11.392 ( -4.817 0.792 -7.296) 8.778 12.992 ( -5.281 37.242 11.148) 39.231 13.290 ( -13.819 31.989 -17.605) 39.041 14.501 ( 5.110 -0.772 12.687) 13.700 14.679 ( -1.990 -5.239 -3.679) 6.704 14.729 ( 3.851 -15.110 6.280) 16.810 14.853 ( 1.071 -18.228 -5.539) 19.081 15.124 ( -3.608 -17.864 8.211) 19.989 15.232 ( -7.153 -25.125 -2.784) 26.271 15.836 ( 23.332 3.304 21.650) 32.001 16.133 ( 20.502 -7.897 19.754) 29.545 16.229 ( 15.272 5.296 -15.667) 22.511 16.504 ( 14.255 -6.019 -15.479) 21.887 19.065 ( -10.069 14.013 6.588) 18.470 19.221 ( -10.543 11.383 -7.709) 17.325 19.495 ( -8.360 -0.575 6.203) 10.426 19.655 ( -10.229 -3.033 -8.668) 13.747 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 2.948 5.958 2.163) 6.990 2.351 ( -1.798 5.158 -1.525) 5.671 2.480 ( 2.550 -2.515 -1.244) 3.791 2.517 ( -0.563 -3.186 -3.274) 4.603 2.737 ( 3.893 -3.585 2.815) 5.994 2.814 ( -2.869 -3.849 -2.994) 5.658 2.962 ( 0.026 -8.631 0.423) 8.642 3.016 ( -5.331 -7.473 -4.128) 10.065 3.263 ( 5.043 0.070 1.333) 5.217 3.310 ( 3.798 -0.614 -2.458) 4.566 3.467 ( -3.593 -7.703 2.345) 8.818 3.512 ( -5.063 -7.600 -1.565) 9.266 5.044 ( 2.093 7.150 2.510) 7.862 5.164 ( -9.048 7.456 -8.166) 14.287 5.299 ( 0.792 -0.955 1.529) 1.969 5.399 ( -8.755 0.423 -7.694) 11.664 5.897 ( 3.677 17.589 2.061) 18.087 5.965 ( -2.973 15.973 -5.253) 17.075 6.416 ( 7.465 7.755 6.818) 12.741 6.485 ( 2.601 14.442 2.038) 14.815 6.684 ( 3.530 -14.257 0.794) 14.708 6.778 ( -4.135 -12.676 -6.354) 14.770 7.138 ( 7.078 -8.310 6.191) 12.549 7.189 ( 2.571 -11.180 1.616) 11.585 7.447 ( 5.733 10.264 6.430) 13.400 7.479 ( 2.830 8.637 3.202) 9.636 7.831 ( 2.755 -9.643 2.512) 10.338 7.871 ( -0.845 -9.945 -0.897) 10.022 8.617 ( 3.718 4.438 4.855) 7.557 8.653 ( 0.206 3.857 2.085) 4.389 8.704 ( 4.758 0.179 2.354) 5.311 8.752 ( 0.680 -0.239 -1.217) 1.415 9.150 ( 4.842 12.664 1.166) 13.608 9.213 ( -1.000 12.181 -4.696) 13.093 9.593 ( 3.534 -6.601 1.894) 7.723 9.645 ( -1.344 -8.316 -2.638) 8.827 10.090 ( 7.191 -1.632 2.484) 7.781 10.139 ( 1.599 -1.179 -1.539) 2.513 10.251 ( 6.287 -5.129 4.497) 9.277 10.407 ( -7.308 -7.153 -10.065) 14.349 10.952 ( 8.514 2.269 7.058) 11.289 11.075 ( 2.551 -1.654 -2.929) 4.222 11.197 ( -7.522 -0.986 -1.162) 7.674 11.258 ( -7.787 -1.797 -6.300) 10.176 12.962 ( 2.092 40.829 0.683) 40.889 13.067 ( -8.161 38.685 -9.426) 40.645 14.576 ( 2.750 0.515 6.561) 7.133 14.629 ( -2.621 -1.300 1.433) 3.258 14.848 ( 7.011 -16.511 4.134) 18.408 14.912 ( 3.279 -12.405 -1.854) 12.964 15.026 ( -4.535 -31.771 3.279) 32.260 15.078 ( -7.323 -33.071 -1.996) 33.931 16.241 ( 15.082 4.543 12.923) 20.374 16.395 ( 0.532 4.797 -1.894) 5.185 16.509 ( 14.712 -5.985 12.845) 20.427 16.665 ( 0.353 -6.219 -1.920) 6.518 18.941 ( -1.147 17.203 0.106) 17.242 19.022 ( -8.178 16.489 -7.351) 19.819 19.395 ( -0.749 -4.036 1.319) 4.312 19.468 ( -7.352 -4.172 -5.633) 10.158 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 -1.663 3.578) 3.946 2.080 ( 0.000 1.663 3.578) 3.946 2.498 ( 0.000 -4.289 5.473) 6.954 2.498 ( 0.000 4.289 5.473) 6.954 2.640 ( 0.000 -1.562 -5.837) 6.043 2.640 ( 0.000 1.562 -5.837) 6.043 3.266 ( 0.000 -8.429 -2.069) 8.679 3.266 ( 0.000 8.429 -2.069) 8.679 3.432 ( 0.000 -6.055 -4.409) 7.490 3.432 ( 0.000 6.055 -4.409) 7.490 3.519 ( 0.000 -0.893 -4.835) 4.917 3.519 ( 0.000 0.893 -4.835) 4.917 5.169 ( 0.000 -0.919 0.368) 0.990 5.169 ( 0.000 0.919 0.368) 0.990 5.415 ( 0.000 -2.120 7.324) 7.625 5.415 ( 0.000 2.120 7.324) 7.625 5.805 ( 0.000 -3.135 -2.324) 3.903 5.805 ( 0.000 3.135 -2.324) 3.903 6.244 ( 0.000 -2.527 3.286) 4.146 6.244 ( 0.000 2.527 3.286) 4.146 6.508 ( 0.000 -14.077 27.098) 30.537 6.508 ( 0.000 14.077 27.098) 30.537 6.911 ( 0.000 -13.112 -2.944) 13.438 6.911 ( 0.000 13.112 -2.944) 13.438 7.032 ( 0.000 -13.506 -2.827) 13.799 7.032 ( 0.000 13.506 -2.827) 13.799 7.238 ( 0.000 -13.686 -22.049) 25.951 7.238 ( 0.000 13.686 -22.049) 25.951 7.732 ( 0.000 -0.743 -3.098) 3.185 7.732 ( 0.000 0.743 -3.098) 3.185 8.365 ( 0.000 -1.703 -0.960) 1.955 8.365 ( 0.000 1.703 -0.960) 1.955 9.098 ( 0.000 -1.893 7.072) 7.321 9.098 ( 0.000 1.893 7.072) 7.321 9.328 ( 0.000 -4.311 -5.854) 7.270 9.328 ( 0.000 4.311 -5.854) 7.270 9.887 ( 0.000 -12.668 14.645) 19.364 9.887 ( 0.000 12.668 14.645) 19.364 10.186 ( 0.000 -14.220 -11.935) 18.565 10.186 ( 0.000 14.220 -11.935) 18.565 11.124 ( 0.000 -1.795 6.702) 6.939 11.124 ( 0.000 1.795 6.702) 6.939 11.476 ( 0.000 -2.117 -11.927) 12.114 11.476 ( 0.000 2.117 -11.927) 12.114 14.162 ( 0.000 -2.102 32.703) 32.770 14.162 ( 0.000 2.102 32.703) 32.770 14.510 ( 0.000 -14.563 11.275) 18.417 14.510 ( 0.000 14.563 11.275) 18.417 14.668 ( 0.000 -6.783 10.240) 12.283 14.668 ( 0.000 6.783 10.240) 12.283 14.964 ( 0.000 -4.199 -28.877) 29.180 14.964 ( 0.000 4.199 -28.877) 29.180 15.150 ( 0.000 -17.758 -18.676) 25.770 15.150 ( 0.000 17.758 -18.676) 25.770 15.395 ( 0.000 -2.107 0.714) 2.225 15.395 ( 0.000 2.107 0.714) 2.225 19.648 ( 0.000 -1.496 6.098) 6.279 19.648 ( 0.000 1.496 6.098) 6.279 20.002 ( 0.000 -3.559 -3.387) 4.913 20.002 ( 0.000 3.559 -3.387) 4.913 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 3.757 -2.474 3.238) 5.543 2.120 ( 3.757 2.474 3.238) 5.543 2.510 ( 0.646 -3.937 5.720) 6.974 2.510 ( 0.646 3.937 5.720) 6.974 2.610 ( -2.593 -3.881 -5.978) 7.584 2.610 ( -2.593 3.881 -5.978) 7.584 3.229 ( -3.785 -4.774 -4.370) 7.498 3.229 ( -3.785 4.774 -4.370) 7.498 3.390 ( -2.989 -2.931 -0.894) 4.280 3.390 ( -2.989 2.931 -0.894) 4.280 3.538 ( 1.033 -4.107 -5.996) 7.341 3.538 ( 1.033 4.107 -5.996) 7.341 5.297 ( 10.691 -3.232 3.981) 11.857 5.297 ( 10.691 3.232 3.981) 11.857 5.520 ( 7.926 -3.557 7.718) 11.621 5.520 ( 7.926 3.557 7.718) 11.621 5.799 ( -0.047 -3.294 -4.930) 5.929 5.799 ( -0.047 3.294 -4.930) 5.929 6.211 ( -1.441 -2.450 5.546) 6.232 6.211 ( -1.441 2.450 5.546) 6.232 6.514 ( 1.199 -7.938 19.675) 21.250 6.514 ( 1.199 7.938 19.675) 21.250 6.876 ( -5.081 -8.710 -11.721) 15.462 6.876 ( -5.081 8.710 -11.721) 15.462 7.100 ( 6.472 -12.814 -3.144) 14.696 7.100 ( 6.472 12.814 -3.144) 14.696 7.246 ( 4.810 -9.674 -7.705) 13.270 7.246 ( 4.810 9.674 -7.705) 13.270 7.935 ( 16.476 -0.428 -3.745) 16.902 7.935 ( 16.476 0.428 -3.745) 16.902 8.395 ( 2.897 -1.503 -1.366) 3.538 8.395 ( 2.897 1.503 -1.366) 3.538 9.144 ( 4.239 -4.638 7.739) 9.969 9.144 ( 4.239 4.638 7.739) 9.969 9.328 ( 0.307 -5.171 -6.218) 8.094 9.328 ( 0.307 5.171 -6.218) 8.094 9.890 ( 0.357 -11.772 14.461) 18.650 9.890 ( 0.357 11.772 14.461) 18.650 10.193 ( 0.596 -13.874 -12.959) 18.995 10.193 ( 0.596 13.874 -12.959) 18.995 11.100 ( -2.330 -2.328 6.555) 7.336 11.100 ( -2.330 2.328 6.555) 7.336 11.476 ( -0.089 -1.858 -10.765) 10.925 11.476 ( -0.089 1.858 -10.765) 10.925 14.010 ( -9.898 -18.145 23.677) 31.429 14.010 ( -9.898 18.145 23.677) 31.429 14.486 ( -7.778 -14.330 -4.180) 16.832 14.486 ( -7.778 14.330 -4.180) 16.832 14.720 ( 0.574 -14.052 -1.907) 14.192 14.720 ( 0.574 14.052 -1.907) 14.192 14.932 ( 10.155 -11.538 11.644) 19.283 14.932 ( 10.155 11.538 11.644) 19.283 15.301 ( 2.751 -3.048 -1.293) 4.305 15.301 ( 2.751 3.048 -1.293) 4.305 15.550 ( 18.659 -8.238 -20.594) 28.985 15.550 ( 18.659 8.238 -20.594) 28.985 19.591 ( -5.379 -2.088 6.264) 8.516 19.591 ( -5.379 2.088 6.264) 8.516 19.944 ( -5.646 -3.831 -3.872) 7.845 19.944 ( -5.646 3.831 -3.872) 7.845 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 5.299 -3.708 2.167) 6.821 2.216 ( 5.299 3.708 2.167) 6.821 2.498 ( -2.403 -3.927 -1.528) 4.851 2.498 ( -2.403 3.927 -1.528) 4.851 2.582 ( 1.638 -6.178 2.773) 6.967 2.582 ( 1.638 6.178 2.773) 6.967 3.119 ( -6.520 -0.986 -7.289) 9.829 3.119 ( -6.520 0.986 -7.289) 9.829 3.328 ( -3.433 -1.460 0.583) 3.776 3.328 ( -3.433 1.460 0.583) 3.776 3.549 ( -0.039 -2.722 -4.908) 5.612 3.549 ( -0.039 2.722 -4.908) 5.612 5.392 ( -4.575 -7.247 18.282) 20.191 5.392 ( -4.575 7.247 18.282) 20.191 5.709 ( 11.352 -7.265 -3.997) 14.058 5.709 ( 11.352 7.265 -3.997) 14.058 5.774 ( -4.060 -5.766 -8.591) 11.115 5.774 ( -4.060 5.766 -8.591) 11.115 6.313 ( 12.185 -2.826 3.977) 13.125 6.313 ( 12.185 2.826 3.977) 13.125 6.573 ( 5.015 -6.113 9.797) 12.590 6.573 ( 5.015 6.113 9.797) 12.590 6.756 ( -5.047 -6.804 -9.730) 12.901 6.756 ( -5.047 6.804 -9.730) 12.901 7.268 ( 9.570 -6.740 -1.366) 11.785 7.268 ( 9.570 6.740 -1.366) 11.785 7.425 ( 10.648 -3.271 1.622) 11.257 7.425 ( 10.648 3.271 1.622) 11.257 8.298 ( 17.734 -1.271 -2.205) 17.916 8.298 ( 17.734 1.271 -2.205) 17.916 8.480 ( 5.534 -1.672 -2.377) 6.251 8.480 ( 5.534 1.672 -2.377) 6.251 9.229 ( 2.863 -8.331 6.567) 10.987 9.229 ( 2.863 8.331 6.567) 10.987 9.370 ( 4.679 -7.005 -4.840) 9.715 9.370 ( 4.679 7.005 -4.840) 9.715 9.910 ( 1.857 -9.409 13.690) 16.715 9.910 ( 1.857 9.409 13.690) 16.715 10.208 ( 0.998 -13.139 -14.767) 19.791 10.208 ( 0.998 13.139 -14.767) 19.791 11.036 ( -3.705 -3.419 5.770) 7.662 11.036 ( -3.705 3.419 5.770) 7.662 11.462 ( -1.730 -1.417 -7.875) 8.187 11.462 ( -1.730 1.417 -7.875) 8.187 13.849 ( -5.403 -25.139 13.552) 29.066 13.849 ( -5.403 25.139 13.552) 29.066 14.300 ( -8.842 -20.225 -10.218) 24.324 14.300 ( -8.842 20.225 -10.218) 24.324 14.697 ( -1.113 -3.985 0.810) 4.216 14.697 ( -1.113 3.985 0.810) 4.216 15.085 ( -1.656 -5.264 4.901) 7.380 15.085 ( -1.656 5.264 4.901) 7.380 15.495 ( 20.424 -8.758 22.197) 31.410 15.495 ( 20.424 8.758 22.197) 31.410 15.982 ( 21.602 -7.872 -23.551) 32.913 15.982 ( 21.602 7.872 -23.551) 32.913 19.446 ( -8.373 -3.648 6.186) 11.031 19.446 ( -8.373 3.648 6.186) 11.031 19.782 ( -10.043 -4.623 -5.059) 12.159 19.782 ( -10.043 4.623 -5.059) 12.159 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 5.093 -4.192 0.292) 6.603 2.322 ( 5.093 4.192 0.292) 6.603 2.449 ( -1.444 -2.540 -2.765) 4.022 2.449 ( -1.444 2.540 -2.765) 4.022 2.671 ( 5.701 -4.031 7.111) 9.966 2.671 ( 5.701 4.031 7.111) 9.966 2.986 ( -6.465 -2.773 -8.541) 11.065 2.986 ( -6.465 2.773 -8.541) 11.065 3.253 ( -2.900 -1.136 -0.740) 3.201 3.253 ( -2.900 1.136 -0.740) 3.201 3.524 ( -2.826 -1.473 -1.862) 3.691 3.524 ( -2.826 1.473 -1.862) 3.691 5.253 ( -6.291 -7.156 13.753) 16.732 5.253 ( -6.291 7.156 13.753) 16.732 5.559 ( -12.673 -6.333 -14.876) 20.543 5.559 ( -12.673 6.333 -14.876) 20.543 5.982 ( 12.118 -3.510 1.372) 12.690 5.982 ( 12.118 3.510 1.372) 12.690 6.513 ( 0.389 -3.351 -1.223) 3.588 6.513 ( 0.389 3.351 -1.223) 3.588 6.687 ( 8.036 -1.040 3.308) 8.752 6.687 ( 8.036 1.040 3.308) 8.752 6.766 ( 6.927 -5.053 1.012) 8.633 6.766 ( 6.927 5.053 1.012) 8.633 7.465 ( 9.355 -4.021 0.344) 10.189 7.465 ( 9.355 4.021 0.344) 10.189 7.612 ( 6.887 -3.026 4.082) 8.559 7.612 ( 6.887 3.026 4.082) 8.559 8.556 ( 7.342 -2.398 3.025) 8.295 8.556 ( 7.342 2.398 3.025) 8.295 8.642 ( 9.123 -1.465 -3.214) 9.783 8.642 ( 9.123 1.465 -3.214) 9.783 9.280 ( 3.618 -6.140 0.641) 7.156 9.280 ( 3.618 6.140 0.641) 7.156 9.476 ( 3.825 -4.707 -1.020) 6.150 9.476 ( 3.825 4.707 -1.020) 6.150 9.976 ( 5.044 -6.274 10.411) 13.161 9.976 ( 5.044 6.274 10.411) 13.161 10.235 ( 1.365 -11.274 -13.574) 17.698 10.235 ( 1.365 11.274 -13.574) 17.698 10.975 ( -1.354 -4.249 4.028) 6.009 10.975 ( -1.354 4.249 4.028) 6.009 11.387 ( -6.083 -1.432 -4.779) 7.868 11.387 ( -6.083 1.432 -4.779) 7.868 13.804 ( 0.988 -25.650 5.292) 26.209 13.804 ( 0.988 25.650 5.292) 26.209 14.143 ( -6.932 -21.340 -7.405) 23.628 14.143 ( -6.932 21.340 -7.405) 23.628 14.692 ( 0.872 -2.639 2.801) 3.946 14.692 ( 0.872 2.639 2.801) 3.946 14.978 ( -6.981 -1.999 2.379) 7.641 14.978 ( -6.981 1.999 2.379) 7.641 15.965 ( 23.315 -7.486 22.121) 33.000 15.965 ( 23.315 7.486 22.121) 33.000 16.363 ( 14.738 -6.771 -15.739) 22.600 16.363 ( 14.738 6.771 -15.739) 22.600 19.285 ( -6.568 -5.602 4.282) 9.637 19.285 ( -6.568 5.602 4.282) 9.637 19.555 ( -11.895 -5.770 -6.019) 14.526 19.555 ( -11.895 5.770 -6.019) 14.526 ======================= 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 1.97e-04 1.97e-04 1.97e-04 1.97e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 3.409 -3.885 -0.068) 5.169 2.413 ( 3.409 3.885 -0.068) 5.169 2.444 ( 0.116 -3.025 -0.196) 3.034 2.444 ( 0.116 3.025 -0.196) 3.034 2.761 ( 3.505 -4.958 1.842) 6.345 2.761 ( 3.505 4.958 1.842) 6.345 2.858 ( -6.097 -4.492 -6.072) 9.707 2.858 ( -6.097 4.492 -6.072) 9.707 3.276 ( 5.634 -1.460 0.020) 5.820 3.276 ( 5.634 1.460 0.020) 5.820 3.423 ( -7.094 -1.664 0.667) 7.317 3.423 ( -7.094 1.664 0.667) 7.317 5.199 ( 1.618 -6.631 2.256) 7.188 5.199 ( 1.618 6.631 2.256) 7.188 5.319 ( -9.819 -6.248 -8.920) 14.663 5.319 ( -9.819 6.248 -8.920) 14.663 6.209 ( 10.430 -5.122 1.757) 11.752 6.209 ( 10.430 5.122 1.757) 11.752 6.401 ( -8.363 -6.242 0.482) 10.446 6.401 ( -8.363 6.242 0.482) 10.446 6.854 ( 5.582 -10.866 1.868) 12.358 6.854 ( 5.582 10.866 1.868) 12.358 6.882 ( 2.798 -9.532 0.372) 9.941 6.882 ( 2.798 9.532 0.372) 9.941 7.623 ( 5.854 -1.535 2.142) 6.419 7.623 ( 5.854 1.535 2.142) 6.419 7.684 ( 0.167 -2.841 3.780) 4.732 7.684 ( 0.167 2.841 3.780) 4.732 8.675 ( 4.740 -1.334 3.517) 6.051 8.675 ( 4.740 1.334 3.517) 6.051 8.732 ( -0.119 -1.800 2.230) 2.869 8.732 ( -0.119 1.800 2.230) 2.869 9.387 ( 6.076 -4.427 -2.147) 7.818 9.387 ( 6.076 4.427 -2.147) 7.818 9.485 ( -2.821 -3.445 -1.152) 4.599 9.485 ( -2.821 3.445 -1.152) 4.599 10.108 ( 7.237 -3.695 2.926) 8.637 10.108 ( 7.237 3.695 2.926) 8.637 10.225 ( -3.308 -6.916 -6.111) 9.804 10.225 ( -3.308 6.916 -6.111) 9.804 11.027 ( 6.964 -3.570 0.609) 7.850 11.027 ( 6.964 3.571 0.609) 7.850 11.217 ( -10.165 -2.162 -2.332) 10.651 11.217 ( -10.165 2.162 -2.332) 10.651 13.877 ( 5.673 -23.588 -0.261) 24.262 13.877 ( 5.673 23.588 -0.261) 24.262 14.007 ( -6.727 -21.843 -4.028) 23.207 14.007 ( -6.727 21.843 -4.028) 23.207 14.737 ( 3.646 -1.815 3.063) 5.096 14.737 ( 3.646 1.815 3.063) 5.096 14.839 ( -6.275 -0.853 2.700) 6.885 14.839 ( -6.275 0.853 2.700) 6.885 16.367 ( 15.055 -6.619 12.751) 20.810 16.367 ( 15.055 6.619 12.751) 20.810 16.524 ( 0.268 -6.574 -1.811) 6.825 16.524 ( 0.268 6.574 -1.811) 6.825 19.222 ( 1.088 -6.966 -0.484) 7.067 19.222 ( 1.088 6.966 -0.484) 7.067 19.332 ( -9.185 -6.843 -4.941) 12.474 19.332 ( -9.185 6.843 -4.941) 12.474 =================== 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 3883.996 2840.314 5038.229 0.000 0.000 0.000 3/29160 20.0 522.384 548.472 601.480 0.000 0.000 0.000 3/29160 30.0 175.085 197.996 206.276 0.000 0.000 0.000 3/29160 40.0 84.651 97.866 100.503 0.000 0.000 0.000 3/29160 50.0 50.324 58.250 59.589 0.000 0.000 0.000 3/29160 60.0 34.063 39.126 40.083 0.000 0.000 0.000 3/29160 70.0 25.154 28.575 29.379 0.000 0.000 0.000 3/29160 80.0 19.737 22.158 22.878 0.000 0.000 0.000 3/29160 90.0 16.175 17.954 18.615 0.000 0.000 0.000 3/29160 100.0 13.687 15.034 15.649 0.000 0.000 0.000 3/29160 110.0 11.864 12.911 13.486 0.000 0.000 0.000 3/29160 120.0 10.477 11.308 11.849 0.000 0.000 0.000 3/29160 130.0 9.390 10.061 10.571 0.000 0.000 0.000 3/29160 140.0 8.515 9.066 9.549 0.000 0.000 0.000 3/29160 150.0 7.798 8.255 8.714 0.000 0.000 0.000 3/29160 160.0 7.198 7.582 8.019 0.000 0.000 0.000 3/29160 170.0 6.689 7.015 7.433 0.000 0.000 0.000 3/29160 180.0 6.253 6.530 6.931 0.000 0.000 0.000 3/29160 190.0 5.873 6.112 6.496 0.000 0.000 0.000 3/29160 200.0 5.540 5.746 6.116 0.000 0.000 0.000 3/29160 210.0 5.244 5.424 5.780 0.000 0.000 0.000 3/29160 220.0 4.981 5.138 5.481 0.000 0.000 0.000 3/29160 230.0 4.745 4.883 5.214 0.000 0.000 0.000 3/29160 240.0 4.531 4.653 4.973 0.000 0.000 0.000 3/29160 250.0 4.337 4.444 4.754 0.000 0.000 0.000 3/29160 260.0 4.159 4.255 4.555 0.000 0.000 0.000 3/29160 270.0 3.997 4.082 4.373 0.000 0.000 0.000 3/29160 280.0 3.847 3.923 4.205 0.000 0.000 0.000 3/29160 290.0 3.708 3.776 4.050 0.000 0.000 0.000 3/29160 300.0 3.579 3.640 3.907 0.000 0.000 0.000 3/29160 310.0 3.460 3.515 3.774 0.000 0.000 0.000 3/29160 320.0 3.348 3.397 3.650 0.000 0.000 0.000 3/29160 330.0 3.244 3.288 3.534 0.000 0.000 0.000 3/29160 340.0 3.146 3.186 3.426 0.000 0.000 0.000 3/29160 350.0 3.054 3.090 3.324 0.000 0.000 0.000 3/29160 360.0 2.967 3.000 3.228 0.000 0.000 0.000 3/29160 370.0 2.886 2.915 3.138 0.000 0.000 0.000 3/29160 380.0 2.808 2.835 3.053 0.000 0.000 0.000 3/29160 390.0 2.735 2.759 2.972 0.000 0.000 0.000 3/29160 400.0 2.666 2.688 2.896 0.000 0.000 0.000 3/29160 410.0 2.600 2.620 2.823 0.000 0.000 0.000 3/29160 420.0 2.537 2.555 2.754 0.000 0.000 0.000 3/29160 430.0 2.478 2.494 2.689 0.000 0.000 0.000 3/29160 440.0 2.421 2.436 2.626 0.000 0.000 0.000 3/29160 450.0 2.366 2.380 2.567 0.000 0.000 0.000 3/29160 460.0 2.315 2.327 2.510 0.000 0.000 0.000 3/29160 470.0 2.265 2.276 2.456 0.000 0.000 0.000 3/29160 480.0 2.217 2.227 2.404 0.000 0.000 0.000 3/29160 490.0 2.172 2.181 2.354 0.000 0.000 0.000 3/29160 500.0 2.128 2.136 2.306 0.000 0.000 0.000 3/29160 510.0 2.086 2.094 2.260 0.000 0.000 0.000 3/29160 520.0 2.046 2.052 2.216 0.000 0.000 0.000 3/29160 530.0 2.007 2.013 2.174 0.000 0.000 0.000 3/29160 540.0 1.970 1.975 2.133 0.000 0.000 0.000 3/29160 550.0 1.934 1.938 2.094 0.000 0.000 0.000 3/29160 560.0 1.899 1.903 2.056 0.000 0.000 0.000 3/29160 570.0 1.866 1.869 2.019 0.000 0.000 0.000 3/29160 580.0 1.834 1.837 1.984 0.000 0.000 0.000 3/29160 590.0 1.802 1.805 1.950 0.000 0.000 0.000 3/29160 600.0 1.772 1.775 1.918 0.000 0.000 0.000 3/29160 610.0 1.743 1.745 1.886 0.000 0.000 0.000 3/29160 620.0 1.715 1.716 1.855 0.000 0.000 0.000 3/29160 630.0 1.688 1.689 1.826 0.000 0.000 0.000 3/29160 640.0 1.661 1.662 1.797 0.000 0.000 0.000 3/29160 650.0 1.636 1.636 1.769 0.000 0.000 0.000 3/29160 660.0 1.611 1.611 1.742 0.000 0.000 0.000 3/29160 670.0 1.587 1.587 1.716 0.000 0.000 0.000 3/29160 680.0 1.563 1.563 1.690 0.000 0.000 0.000 3/29160 690.0 1.541 1.540 1.666 0.000 0.000 0.000 3/29160 700.0 1.519 1.518 1.642 0.000 0.000 0.000 3/29160 710.0 1.497 1.497 1.618 0.000 0.000 0.000 3/29160 720.0 1.476 1.476 1.596 0.000 0.000 0.000 3/29160 730.0 1.456 1.455 1.574 0.000 0.000 0.000 3/29160 740.0 1.437 1.435 1.553 0.000 0.000 0.000 3/29160 750.0 1.417 1.416 1.532 0.000 0.000 0.000 3/29160 760.0 1.399 1.397 1.511 0.000 0.000 0.000 3/29160 770.0 1.381 1.379 1.492 0.000 0.000 0.000 3/29160 780.0 1.363 1.361 1.473 0.000 0.000 0.000 3/29160 790.0 1.346 1.344 1.454 0.000 0.000 0.000 3/29160 800.0 1.329 1.327 1.436 0.000 0.000 0.000 3/29160 810.0 1.312 1.310 1.418 0.000 0.000 0.000 3/29160 820.0 1.296 1.294 1.400 0.000 0.000 0.000 3/29160 830.0 1.281 1.279 1.383 0.000 0.000 0.000 3/29160 840.0 1.265 1.263 1.367 0.000 0.000 0.000 3/29160 850.0 1.251 1.248 1.351 0.000 0.000 0.000 3/29160 860.0 1.236 1.234 1.335 0.000 0.000 0.000 3/29160 870.0 1.222 1.219 1.320 0.000 0.000 0.000 3/29160 880.0 1.208 1.206 1.305 0.000 0.000 0.000 3/29160 890.0 1.194 1.192 1.290 0.000 0.000 0.000 3/29160 900.0 1.181 1.179 1.276 0.000 0.000 0.000 3/29160 910.0 1.168 1.166 1.261 0.000 0.000 0.000 3/29160 920.0 1.155 1.153 1.248 0.000 0.000 0.000 3/29160 930.0 1.143 1.140 1.234 0.000 0.000 0.000 3/29160 940.0 1.131 1.128 1.221 0.000 0.000 0.000 3/29160 950.0 1.119 1.116 1.208 0.000 0.000 0.000 3/29160 960.0 1.107 1.105 1.196 0.000 0.000 0.000 3/29160 970.0 1.096 1.093 1.183 0.000 0.000 0.000 3/29160 980.0 1.085 1.082 1.171 0.000 0.000 0.000 3/29160 990.0 1.074 1.071 1.159 0.000 0.000 0.000 3/29160 1000.0 1.063 1.060 1.148 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 21:06:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|