----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.937167010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.113532970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.701664989999999 Atomic positions (fractional): *1 O 0.58763324816880 0.25000000000000 0.42704739014073 15.999 2 O 0.41236675183120 0.75000000000000 0.57295260985927 15.999 3 O 0.08763324816880 0.25000000000000 0.07295260985927 15.999 4 O 0.91236675183120 0.75000000000000 0.92704739014073 15.999 *5 O 0.95532783985589 0.25000000000000 0.71183145350491 15.999 6 O 0.04467216014411 0.75000000000000 0.28816854649508 15.999 7 O 0.45532783985589 0.25000000000000 0.78816854649509 15.999 8 O 0.54467216014411 0.75000000000000 0.21183145350492 15.999 *9 O 0.88207037559812 0.25000000000000 0.47335115450594 15.999 10 O 0.11792962440188 0.75000000000000 0.52664884549406 15.999 11 O 0.38207037559812 0.25000000000000 0.02664884549406 15.999 12 O 0.61792962440188 0.75000000000000 0.97335115450594 15.999 *13 O 0.69168930417134 0.75000000000000 0.66806296627019 15.999 14 O 0.30831069582866 0.25000000000000 0.33193703372981 15.999 15 O 0.19168930417134 0.75000000000000 0.83193703372981 15.999 16 O 0.80831069582866 0.25000000000000 0.16806296627019 15.999 *17 Ca 0.76654330775991 0.75000000000000 0.33979385917466 40.078 18 Ca 0.23345669224009 0.25000000000000 0.66020614082534 40.078 19 Ca 0.26654330775991 0.75000000000000 0.16020614082534 40.078 20 Ca 0.73345669224009 0.25000000000000 0.83979385917466 40.078 *21 Rh 0.59255048892502 0.25000000000000 0.09830033993603 102.906 22 Rh 0.40744951107498 0.75000000000000 0.90169966006397 102.906 23 Rh 0.09255048892502 0.25000000000000 0.40169966006397 102.906 24 Rh 0.90744951107498 0.75000000000000 0.59830033993603 102.906 *25 Rh 0.94737022689743 0.75000000000000 0.11671410937497 102.906 26 Rh 0.05262977310257 0.25000000000000 0.88328589062503 102.906 27 Rh 0.44737022689743 0.75000000000000 0.38328589062503 102.906 28 Rh 0.55262977310257 0.25000000000000 0.61671410937497 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.937167010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.113532970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.701664989999999 Atomic positions (fractional): *1 O 0.58763324816880 0.25000000000000 0.42704739014073 15.999 > 1 2 O 0.41236675183120 0.75000000000000 0.57295260985927 15.999 > 2 3 O 0.08763324816880 0.25000000000000 0.07295260985927 15.999 > 3 4 O 0.91236675183120 0.75000000000000 0.92704739014073 15.999 > 4 *5 O 0.95532783985589 0.25000000000000 0.71183145350491 15.999 > 5 6 O 0.04467216014411 0.75000000000000 0.28816854649508 15.999 > 6 7 O 0.45532783985589 0.25000000000000 0.78816854649509 15.999 > 7 8 O 0.54467216014411 0.75000000000000 0.21183145350492 15.999 > 8 *9 O 0.88207037559812 0.25000000000000 0.47335115450594 15.999 > 9 10 O 0.11792962440188 0.75000000000000 0.52664884549406 15.999 > 10 11 O 0.38207037559812 0.25000000000000 0.02664884549406 15.999 > 11 12 O 0.61792962440188 0.75000000000000 0.97335115450594 15.999 > 12 *13 O 0.69168930417134 0.75000000000000 0.66806296627019 15.999 > 13 14 O 0.30831069582866 0.25000000000000 0.33193703372981 15.999 > 14 15 O 0.19168930417134 0.75000000000000 0.83193703372981 15.999 > 15 16 O 0.80831069582866 0.25000000000000 0.16806296627019 15.999 > 16 *17 Ca 0.76654330775991 0.75000000000000 0.33979385917466 40.078 > 17 18 Ca 0.23345669224009 0.25000000000000 0.66020614082534 40.078 > 18 19 Ca 0.26654330775991 0.75000000000000 0.16020614082534 40.078 > 19 20 Ca 0.73345669224009 0.25000000000000 0.83979385917466 40.078 > 20 *21 Rh 0.59255048892502 0.25000000000000 0.09830033993603 102.906 > 21 22 Rh 0.40744951107498 0.75000000000000 0.90169966006397 102.906 > 22 23 Rh 0.09255048892502 0.25000000000000 0.40169966006397 102.906 > 23 24 Rh 0.90744951107498 0.75000000000000 0.59830033993603 102.906 > 24 *25 Rh 0.94737022689743 0.75000000000000 0.11671410937497 102.906 > 25 26 Rh 0.05262977310257 0.25000000000000 0.88328589062503 102.906 > 26 27 Rh 0.44737022689743 0.75000000000000 0.38328589062503 102.906 > 27 28 Rh 0.55262977310257 0.25000000000000 0.61671410937497 102.906 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.937167010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.340598910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.701664989999999 Atomic positions (fractional): *1 O 0.58763324816880 0.08333333333333 0.42704739014073 15.999 > 1 2 O 0.58763324816880 0.41666666666667 0.42704739014073 15.999 > 1 3 O 0.58763324816880 0.75000000000000 0.42704739014073 15.999 > 1 4 O 0.41236675183120 0.25000000000000 0.57295260985927 15.999 > 2 5 O 0.41236675183120 0.58333333333333 0.57295260985927 15.999 > 2 6 O 0.41236675183120 0.91666666666667 0.57295260985927 15.999 > 2 7 O 0.08763324816880 0.08333333333333 0.07295260985927 15.999 > 3 8 O 0.08763324816880 0.41666666666667 0.07295260985927 15.999 > 3 9 O 0.08763324816880 0.75000000000000 0.07295260985927 15.999 > 3 10 O 0.91236675183120 0.25000000000000 0.92704739014073 15.999 > 4 11 O 0.91236675183120 0.58333333333333 0.92704739014073 15.999 > 4 12 O 0.91236675183120 0.91666666666667 0.92704739014073 15.999 > 4 *13 O 0.95532783985589 0.08333333333333 0.71183145350491 15.999 > 5 14 O 0.95532783985589 0.41666666666667 0.71183145350491 15.999 > 5 15 O 0.95532783985589 0.75000000000000 0.71183145350491 15.999 > 5 16 O 0.04467216014411 0.25000000000000 0.28816854649508 15.999 > 6 17 O 0.04467216014411 0.58333333333333 0.28816854649508 15.999 > 6 18 O 0.04467216014411 0.91666666666667 0.28816854649508 15.999 > 6 19 O 0.45532783985589 0.08333333333333 0.78816854649509 15.999 > 7 20 O 0.45532783985589 0.41666666666667 0.78816854649509 15.999 > 7 21 O 0.45532783985589 0.75000000000000 0.78816854649509 15.999 > 7 22 O 0.54467216014411 0.25000000000000 0.21183145350492 15.999 > 8 23 O 0.54467216014411 0.58333333333333 0.21183145350492 15.999 > 8 24 O 0.54467216014411 0.91666666666667 0.21183145350492 15.999 > 8 *25 O 0.88207037559812 0.08333333333333 0.47335115450594 15.999 > 9 26 O 0.88207037559812 0.41666666666667 0.47335115450594 15.999 > 9 27 O 0.88207037559812 0.75000000000000 0.47335115450594 15.999 > 9 28 O 0.11792962440188 0.25000000000000 0.52664884549406 15.999 > 10 29 O 0.11792962440188 0.58333333333333 0.52664884549406 15.999 > 10 30 O 0.11792962440188 0.91666666666667 0.52664884549406 15.999 > 10 31 O 0.38207037559812 0.08333333333333 0.02664884549406 15.999 > 11 32 O 0.38207037559812 0.41666666666667 0.02664884549406 15.999 > 11 33 O 0.38207037559812 0.75000000000000 0.02664884549406 15.999 > 11 34 O 0.61792962440188 0.25000000000000 0.97335115450594 15.999 > 12 35 O 0.61792962440188 0.58333333333333 0.97335115450594 15.999 > 12 36 O 0.61792962440188 0.91666666666667 0.97335115450594 15.999 > 12 *37 O 0.69168930417134 0.25000000000000 0.66806296627019 15.999 > 13 38 O 0.69168930417134 0.58333333333333 0.66806296627019 15.999 > 13 39 O 0.69168930417134 0.91666666666667 0.66806296627019 15.999 > 13 40 O 0.30831069582866 0.08333333333333 0.33193703372981 15.999 > 14 41 O 0.30831069582866 0.41666666666667 0.33193703372981 15.999 > 14 42 O 0.30831069582866 0.75000000000000 0.33193703372981 15.999 > 14 43 O 0.19168930417134 0.25000000000000 0.83193703372981 15.999 > 15 44 O 0.19168930417134 0.58333333333333 0.83193703372981 15.999 > 15 45 O 0.19168930417134 0.91666666666667 0.83193703372981 15.999 > 15 46 O 0.80831069582866 0.08333333333333 0.16806296627019 15.999 > 16 47 O 0.80831069582866 0.41666666666667 0.16806296627019 15.999 > 16 48 O 0.80831069582866 0.75000000000000 0.16806296627019 15.999 > 16 *49 Ca 0.76654330775991 0.25000000000000 0.33979385917466 40.078 > 17 50 Ca 0.76654330775991 0.58333333333333 0.33979385917466 40.078 > 17 51 Ca 0.76654330775991 0.91666666666667 0.33979385917466 40.078 > 17 52 Ca 0.23345669224009 0.08333333333333 0.66020614082534 40.078 > 18 53 Ca 0.23345669224009 0.41666666666667 0.66020614082534 40.078 > 18 54 Ca 0.23345669224009 0.75000000000000 0.66020614082534 40.078 > 18 55 Ca 0.26654330775991 0.25000000000000 0.16020614082534 40.078 > 19 56 Ca 0.26654330775991 0.58333333333333 0.16020614082534 40.078 > 19 57 Ca 0.26654330775991 0.91666666666667 0.16020614082534 40.078 > 19 58 Ca 0.73345669224009 0.08333333333333 0.83979385917466 40.078 > 20 59 Ca 0.73345669224009 0.41666666666667 0.83979385917466 40.078 > 20 60 Ca 0.73345669224009 0.75000000000000 0.83979385917466 40.078 > 20 *61 Rh 0.59255048892502 0.08333333333333 0.09830033993603 102.906 > 21 62 Rh 0.59255048892502 0.41666666666667 0.09830033993603 102.906 > 21 63 Rh 0.59255048892502 0.75000000000000 0.09830033993603 102.906 > 21 64 Rh 0.40744951107498 0.25000000000000 0.90169966006397 102.906 > 22 65 Rh 0.40744951107498 0.58333333333333 0.90169966006397 102.906 > 22 66 Rh 0.40744951107498 0.91666666666667 0.90169966006397 102.906 > 22 67 Rh 0.09255048892502 0.08333333333333 0.40169966006397 102.906 > 23 68 Rh 0.09255048892502 0.41666666666667 0.40169966006397 102.906 > 23 69 Rh 0.09255048892502 0.75000000000000 0.40169966006397 102.906 > 23 70 Rh 0.90744951107498 0.25000000000000 0.59830033993603 102.906 > 24 71 Rh 0.90744951107498 0.58333333333333 0.59830033993603 102.906 > 24 72 Rh 0.90744951107498 0.91666666666667 0.59830033993603 102.906 > 24 *73 Rh 0.94737022689743 0.25000000000000 0.11671410937497 102.906 > 25 74 Rh 0.94737022689743 0.58333333333333 0.11671410937497 102.906 > 25 75 Rh 0.94737022689743 0.91666666666667 0.11671410937497 102.906 > 25 76 Rh 0.05262977310257 0.08333333333333 0.88328589062503 102.906 > 26 77 Rh 0.05262977310257 0.41666666666667 0.88328589062503 102.906 > 26 78 Rh 0.05262977310257 0.75000000000000 0.88328589062503 102.906 > 26 79 Rh 0.44737022689743 0.25000000000000 0.38328589062503 102.906 > 27 80 Rh 0.44737022689743 0.58333333333333 0.38328589062503 102.906 > 27 81 Rh 0.44737022689743 0.91666666666667 0.38328589062503 102.906 > 27 82 Rh 0.55262977310257 0.08333333333333 0.61671410937497 102.906 > 28 83 Rh 0.55262977310257 0.41666666666667 0.61671410937497 102.906 > 28 84 Rh 0.55262977310257 0.75000000000000 0.61671410937497 102.906 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0716370 0.0000000 0.0000000 0.0000000 10.2414785 0.0000000 0.0000000 0.0000000 9.9029077 -------------------------- Born effective charges -------------------------- 1 O -1.7146610 0.0000000 -0.1819661 0.0000000 -2.3145128 0.0000000 0.1164963 0.0000000 -1.9244991 2 O -1.7146610 0.0000000 -0.1819661 0.0000000 -2.3145128 0.0000000 0.1164963 0.0000000 -1.9244991 3 O -1.7146610 0.0000000 0.1819661 0.0000000 -2.3145128 0.0000000 -0.1164963 0.0000000 -1.9244991 4 O -1.7146610 0.0000000 0.1819661 0.0000000 -2.3145128 0.0000000 -0.1164963 0.0000000 -1.9244991 5 O -0.7921940 0.0000000 0.1254696 0.0000000 -1.3103776 0.0000000 -0.1577280 0.0000000 -1.8189540 6 O -0.7921940 0.0000000 0.1254696 0.0000000 -1.3103776 0.0000000 -0.1577280 0.0000000 -1.8189540 7 O -0.7921940 0.0000000 -0.1254696 0.0000000 -1.3103776 0.0000000 0.1577280 0.0000000 -1.8189540 8 O -0.7921940 0.0000000 -0.1254696 0.0000000 -1.3103776 0.0000000 0.1577280 0.0000000 -1.8189540 9 O -1.9164336 0.0000000 0.1975617 0.0000000 -2.0803342 0.0000000 0.0713985 0.0000000 -1.8059893 10 O -1.9164336 0.0000000 0.1975617 0.0000000 -2.0803342 0.0000000 0.0713985 0.0000000 -1.8059893 11 O -1.9164336 0.0000000 -0.1975617 0.0000000 -2.0803342 0.0000000 -0.0713985 0.0000000 -1.8059893 12 O -1.9164336 0.0000000 -0.1975617 0.0000000 -2.0803342 0.0000000 -0.0713985 0.0000000 -1.8059893 13 O -1.5107779 0.0000000 -0.2346268 0.0000000 -1.7755121 0.0000000 -0.2184429 0.0000000 -0.8740219 14 O -1.5107779 0.0000000 -0.2346268 0.0000000 -1.7755121 0.0000000 -0.2184429 0.0000000 -0.8740219 15 O -1.5107779 0.0000000 0.2346268 0.0000000 -1.7755121 0.0000000 0.2184429 0.0000000 -0.8740219 16 O -1.5107779 0.0000000 0.2346268 0.0000000 -1.7755121 0.0000000 0.2184429 0.0000000 -0.8740219 17 Ca 3.4268502 0.0000000 0.1237710 0.0000000 2.4364892 0.0000000 0.0418721 0.0000000 3.2550627 18 Ca 3.4268502 0.0000000 0.1237710 0.0000000 2.4364892 0.0000000 0.0418721 0.0000000 3.2550627 19 Ca 3.4268502 0.0000000 -0.1237710 0.0000000 2.4364892 0.0000000 -0.0418721 0.0000000 3.2550627 20 Ca 3.4268502 0.0000000 -0.1237710 0.0000000 2.4364892 0.0000000 -0.0418721 0.0000000 3.2550627 21 Rh 1.5857506 0.0000000 0.9735366 0.0000000 2.4393799 0.0000000 1.0376184 0.0000000 1.2294733 22 Rh 1.5857506 0.0000000 0.9735366 0.0000000 2.4393799 0.0000000 1.0376184 0.0000000 1.2294733 23 Rh 1.5857506 0.0000000 -0.9735366 0.0000000 2.4393799 0.0000000 -1.0376184 0.0000000 1.2294733 24 Rh 1.5857506 0.0000000 -0.9735366 0.0000000 2.4393799 0.0000000 -1.0376184 0.0000000 1.2294733 25 Rh 0.9214656 0.0000000 -0.6460115 0.0000000 2.6048675 0.0000000 -0.5220207 0.0000000 1.9389283 26 Rh 0.9214656 0.0000000 -0.6460115 0.0000000 2.6048675 0.0000000 -0.5220207 0.0000000 1.9389283 27 Rh 0.9214656 0.0000000 0.6460115 0.0000000 2.6048675 0.0000000 0.5220207 0.0000000 1.9389283 28 Rh 0.9214656 0.0000000 0.6460115 0.0000000 2.6048675 0.0000000 0.5220207 0.0000000 1.9389283 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.406 Solver_block: 200 / 480 - Time: 1.399 Solver_block: 300 / 480 - Time: 1.402 Solver_block: 400 / 480 - Time: 1.399 Solver_block: 480 / 480 - Time: 1.153 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.796 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), 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 2026-01-08 04:01:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:01:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.937167010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.113532970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.701664989999999 Atomic positions (fractional): 1 O 0.58763324816880 0.25000000000000 0.42704739014073 15.999 2 O 0.41236675183120 0.75000000000000 0.57295260985927 15.999 3 O 0.08763324816880 0.25000000000000 0.07295260985927 15.999 4 O 0.91236675183120 0.75000000000000 0.92704739014073 15.999 5 O 0.95532783985589 0.25000000000000 0.71183145350491 15.999 6 O 0.04467216014411 0.75000000000000 0.28816854649508 15.999 7 O 0.45532783985589 0.25000000000000 0.78816854649509 15.999 8 O 0.54467216014411 0.75000000000000 0.21183145350492 15.999 9 O 0.88207037559812 0.25000000000000 0.47335115450594 15.999 10 O 0.11792962440188 0.75000000000000 0.52664884549406 15.999 11 O 0.38207037559812 0.25000000000000 0.02664884549406 15.999 12 O 0.61792962440188 0.75000000000000 0.97335115450594 15.999 13 O 0.69168930417134 0.75000000000000 0.66806296627019 15.999 14 O 0.30831069582866 0.25000000000000 0.33193703372981 15.999 15 O 0.19168930417134 0.75000000000000 0.83193703372981 15.999 16 O 0.80831069582866 0.25000000000000 0.16806296627019 15.999 17 Ca 0.76654330775991 0.75000000000000 0.33979385917466 40.078 18 Ca 0.23345669224009 0.25000000000000 0.66020614082534 40.078 19 Ca 0.26654330775991 0.75000000000000 0.16020614082534 40.078 20 Ca 0.73345669224009 0.25000000000000 0.83979385917466 40.078 21 Rh 0.59255048892502 0.25000000000000 0.09830033993603 102.906 22 Rh 0.40744951107498 0.75000000000000 0.90169966006397 102.906 23 Rh 0.09255048892502 0.25000000000000 0.40169966006397 102.906 24 Rh 0.90744951107498 0.75000000000000 0.59830033993603 102.906 25 Rh 0.94737022689743 0.75000000000000 0.11671410937497 102.906 26 Rh 0.05262977310257 0.25000000000000 0.88328589062503 102.906 27 Rh 0.44737022689743 0.75000000000000 0.38328589062503 102.906 28 Rh 0.55262977310257 0.25000000000000 0.61671410937497 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.937167010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.340598910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.701664989999999 Atomic positions (fractional): 1 O 0.58763324816880 0.08333333333333 0.42704739014073 15.999 > 1 2 O 0.58763324816880 0.41666666666667 0.42704739014073 15.999 > 1 3 O 0.58763324816880 0.75000000000000 0.42704739014073 15.999 > 1 4 O 0.41236675183120 0.25000000000000 0.57295260985927 15.999 > 4 5 O 0.41236675183120 0.58333333333333 0.57295260985927 15.999 > 4 6 O 0.41236675183120 0.91666666666667 0.57295260985927 15.999 > 4 7 O 0.08763324816880 0.08333333333333 0.07295260985927 15.999 > 7 8 O 0.08763324816880 0.41666666666667 0.07295260985927 15.999 > 7 9 O 0.08763324816880 0.75000000000000 0.07295260985927 15.999 > 7 10 O 0.91236675183120 0.25000000000000 0.92704739014073 15.999 > 10 11 O 0.91236675183120 0.58333333333333 0.92704739014073 15.999 > 10 12 O 0.91236675183120 0.91666666666667 0.92704739014073 15.999 > 10 13 O 0.95532783985589 0.08333333333333 0.71183145350491 15.999 > 13 14 O 0.95532783985589 0.41666666666667 0.71183145350491 15.999 > 13 15 O 0.95532783985589 0.75000000000000 0.71183145350491 15.999 > 13 16 O 0.04467216014411 0.25000000000000 0.28816854649508 15.999 > 16 17 O 0.04467216014411 0.58333333333333 0.28816854649508 15.999 > 16 18 O 0.04467216014411 0.91666666666667 0.28816854649508 15.999 > 16 19 O 0.45532783985589 0.08333333333333 0.78816854649509 15.999 > 19 20 O 0.45532783985589 0.41666666666667 0.78816854649509 15.999 > 19 21 O 0.45532783985589 0.75000000000000 0.78816854649509 15.999 > 19 22 O 0.54467216014411 0.25000000000000 0.21183145350492 15.999 > 22 23 O 0.54467216014411 0.58333333333333 0.21183145350492 15.999 > 22 24 O 0.54467216014411 0.91666666666667 0.21183145350492 15.999 > 22 25 O 0.88207037559812 0.08333333333333 0.47335115450594 15.999 > 25 26 O 0.88207037559812 0.41666666666667 0.47335115450594 15.999 > 25 27 O 0.88207037559812 0.75000000000000 0.47335115450594 15.999 > 25 28 O 0.11792962440188 0.25000000000000 0.52664884549406 15.999 > 28 29 O 0.11792962440188 0.58333333333333 0.52664884549406 15.999 > 28 30 O 0.11792962440188 0.91666666666667 0.52664884549406 15.999 > 28 31 O 0.38207037559812 0.08333333333333 0.02664884549406 15.999 > 31 32 O 0.38207037559812 0.41666666666667 0.02664884549406 15.999 > 31 33 O 0.38207037559812 0.75000000000000 0.02664884549406 15.999 > 31 34 O 0.61792962440188 0.25000000000000 0.97335115450594 15.999 > 34 35 O 0.61792962440188 0.58333333333333 0.97335115450594 15.999 > 34 36 O 0.61792962440188 0.91666666666667 0.97335115450594 15.999 > 34 37 O 0.69168930417134 0.25000000000000 0.66806296627019 15.999 > 37 38 O 0.69168930417134 0.58333333333333 0.66806296627019 15.999 > 37 39 O 0.69168930417134 0.91666666666667 0.66806296627019 15.999 > 37 40 O 0.30831069582866 0.08333333333333 0.33193703372981 15.999 > 40 41 O 0.30831069582866 0.41666666666667 0.33193703372981 15.999 > 40 42 O 0.30831069582866 0.75000000000000 0.33193703372981 15.999 > 40 43 O 0.19168930417134 0.25000000000000 0.83193703372981 15.999 > 43 44 O 0.19168930417134 0.58333333333333 0.83193703372981 15.999 > 43 45 O 0.19168930417134 0.91666666666667 0.83193703372981 15.999 > 43 46 O 0.80831069582866 0.08333333333333 0.16806296627019 15.999 > 46 47 O 0.80831069582866 0.41666666666667 0.16806296627019 15.999 > 46 48 O 0.80831069582866 0.75000000000000 0.16806296627019 15.999 > 46 49 Ca 0.76654330775991 0.25000000000000 0.33979385917466 40.078 > 49 50 Ca 0.76654330775991 0.58333333333333 0.33979385917466 40.078 > 49 51 Ca 0.76654330775991 0.91666666666667 0.33979385917466 40.078 > 49 52 Ca 0.23345669224009 0.08333333333333 0.66020614082534 40.078 > 52 53 Ca 0.23345669224009 0.41666666666667 0.66020614082534 40.078 > 52 54 Ca 0.23345669224009 0.75000000000000 0.66020614082534 40.078 > 52 55 Ca 0.26654330775991 0.25000000000000 0.16020614082534 40.078 > 55 56 Ca 0.26654330775991 0.58333333333333 0.16020614082534 40.078 > 55 57 Ca 0.26654330775991 0.91666666666667 0.16020614082534 40.078 > 55 58 Ca 0.73345669224009 0.08333333333333 0.83979385917466 40.078 > 58 59 Ca 0.73345669224009 0.41666666666667 0.83979385917466 40.078 > 58 60 Ca 0.73345669224009 0.75000000000000 0.83979385917466 40.078 > 58 61 Rh 0.59255048892502 0.08333333333333 0.09830033993603 102.906 > 61 62 Rh 0.59255048892502 0.41666666666667 0.09830033993603 102.906 > 61 63 Rh 0.59255048892502 0.75000000000000 0.09830033993603 102.906 > 61 64 Rh 0.40744951107498 0.25000000000000 0.90169966006397 102.906 > 64 65 Rh 0.40744951107498 0.58333333333333 0.90169966006397 102.906 > 64 66 Rh 0.40744951107498 0.91666666666667 0.90169966006397 102.906 > 64 67 Rh 0.09255048892502 0.08333333333333 0.40169966006397 102.906 > 67 68 Rh 0.09255048892502 0.41666666666667 0.40169966006397 102.906 > 67 69 Rh 0.09255048892502 0.75000000000000 0.40169966006397 102.906 > 67 70 Rh 0.90744951107498 0.25000000000000 0.59830033993603 102.906 > 70 71 Rh 0.90744951107498 0.58333333333333 0.59830033993603 102.906 > 70 72 Rh 0.90744951107498 0.91666666666667 0.59830033993603 102.906 > 70 73 Rh 0.94737022689743 0.25000000000000 0.11671410937497 102.906 > 73 74 Rh 0.94737022689743 0.58333333333333 0.11671410937497 102.906 > 73 75 Rh 0.94737022689743 0.91666666666667 0.11671410937497 102.906 > 73 76 Rh 0.05262977310257 0.08333333333333 0.88328589062503 102.906 > 76 77 Rh 0.05262977310257 0.41666666666667 0.88328589062503 102.906 > 76 78 Rh 0.05262977310257 0.75000000000000 0.88328589062503 102.906 > 76 79 Rh 0.44737022689743 0.25000000000000 0.38328589062503 102.906 > 79 80 Rh 0.44737022689743 0.58333333333333 0.38328589062503 102.906 > 79 81 Rh 0.44737022689743 0.91666666666667 0.38328589062503 102.906 > 79 82 Rh 0.55262977310257 0.08333333333333 0.61671410937497 102.906 > 82 83 Rh 0.55262977310257 0.41666666666667 0.61671410937497 102.906 > 82 84 Rh 0.55262977310257 0.75000000000000 0.61671410937497 102.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0716370 0.0000000 0.0000000 0.0000000 10.2414785 0.0000000 0.0000000 0.0000000 9.9029077 -------------------------- Born effective charges -------------------------- 1 O -1.7146610 0.0000000 -0.1819661 0.0000000 -2.3145128 0.0000000 0.1164963 0.0000000 -1.9244991 2 O -1.7146610 0.0000000 -0.1819661 0.0000000 -2.3145128 0.0000000 0.1164963 0.0000000 -1.9244991 3 O -1.7146610 0.0000000 0.1819661 0.0000000 -2.3145128 0.0000000 -0.1164963 0.0000000 -1.9244991 4 O -1.7146610 0.0000000 0.1819661 0.0000000 -2.3145128 0.0000000 -0.1164963 0.0000000 -1.9244991 5 O -0.7921940 0.0000000 0.1254696 0.0000000 -1.3103776 0.0000000 -0.1577280 0.0000000 -1.8189540 6 O -0.7921940 0.0000000 0.1254696 0.0000000 -1.3103776 0.0000000 -0.1577280 0.0000000 -1.8189540 7 O -0.7921940 0.0000000 -0.1254696 0.0000000 -1.3103776 0.0000000 0.1577280 0.0000000 -1.8189540 8 O -0.7921940 0.0000000 -0.1254696 0.0000000 -1.3103776 0.0000000 0.1577280 0.0000000 -1.8189540 9 O -1.9164336 0.0000000 0.1975617 0.0000000 -2.0803342 0.0000000 0.0713985 0.0000000 -1.8059893 10 O -1.9164336 0.0000000 0.1975617 0.0000000 -2.0803342 0.0000000 0.0713985 0.0000000 -1.8059893 11 O -1.9164336 0.0000000 -0.1975617 0.0000000 -2.0803342 0.0000000 -0.0713985 0.0000000 -1.8059893 12 O -1.9164336 0.0000000 -0.1975617 0.0000000 -2.0803342 0.0000000 -0.0713985 0.0000000 -1.8059893 13 O -1.5107779 0.0000000 -0.2346268 0.0000000 -1.7755121 0.0000000 -0.2184429 0.0000000 -0.8740219 14 O -1.5107779 0.0000000 -0.2346268 0.0000000 -1.7755121 0.0000000 -0.2184429 0.0000000 -0.8740219 15 O -1.5107779 0.0000000 0.2346268 0.0000000 -1.7755121 0.0000000 0.2184429 0.0000000 -0.8740219 16 O -1.5107779 0.0000000 0.2346268 0.0000000 -1.7755121 0.0000000 0.2184429 0.0000000 -0.8740219 17 Ca 3.4268502 0.0000000 0.1237710 0.0000000 2.4364892 0.0000000 0.0418721 0.0000000 3.2550627 18 Ca 3.4268502 0.0000000 0.1237710 0.0000000 2.4364892 0.0000000 0.0418721 0.0000000 3.2550627 19 Ca 3.4268502 0.0000000 -0.1237710 0.0000000 2.4364892 0.0000000 -0.0418721 0.0000000 3.2550627 20 Ca 3.4268502 0.0000000 -0.1237710 0.0000000 2.4364892 0.0000000 -0.0418721 0.0000000 3.2550627 21 Rh 1.5857506 0.0000000 0.9735366 0.0000000 2.4393799 0.0000000 1.0376184 0.0000000 1.2294733 22 Rh 1.5857506 0.0000000 0.9735366 0.0000000 2.4393799 0.0000000 1.0376184 0.0000000 1.2294733 23 Rh 1.5857506 0.0000000 -0.9735366 0.0000000 2.4393799 0.0000000 -1.0376184 0.0000000 1.2294733 24 Rh 1.5857506 0.0000000 -0.9735366 0.0000000 2.4393799 0.0000000 -1.0376184 0.0000000 1.2294733 25 Rh 0.9214656 0.0000000 -0.6460115 0.0000000 2.6048675 0.0000000 -0.5220207 0.0000000 1.9389283 26 Rh 0.9214656 0.0000000 -0.6460115 0.0000000 2.6048675 0.0000000 -0.5220207 0.0000000 1.9389283 27 Rh 0.9214656 0.0000000 0.6460115 0.0000000 2.6048675 0.0000000 0.5220207 0.0000000 1.9389283 28 Rh 0.9214656 0.0000000 0.6460115 0.0000000 2.6048675 0.0000000 0.5220207 0.0000000 1.9389283 ---------------------------------------------------------------------------- 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[ 13, 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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[ 61, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:02:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:02:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.937167010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.113532970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.701664989999999 Atomic positions (fractional): 1 O 0.58763324816880 0.25000000000000 0.42704739014073 15.999 2 O 0.41236675183120 0.75000000000000 0.57295260985927 15.999 3 O 0.08763324816880 0.25000000000000 0.07295260985927 15.999 4 O 0.91236675183120 0.75000000000000 0.92704739014073 15.999 5 O 0.95532783985589 0.25000000000000 0.71183145350491 15.999 6 O 0.04467216014411 0.75000000000000 0.28816854649508 15.999 7 O 0.45532783985589 0.25000000000000 0.78816854649509 15.999 8 O 0.54467216014411 0.75000000000000 0.21183145350492 15.999 9 O 0.88207037559812 0.25000000000000 0.47335115450594 15.999 10 O 0.11792962440188 0.75000000000000 0.52664884549406 15.999 11 O 0.38207037559812 0.25000000000000 0.02664884549406 15.999 12 O 0.61792962440188 0.75000000000000 0.97335115450594 15.999 13 O 0.69168930417134 0.75000000000000 0.66806296627019 15.999 14 O 0.30831069582866 0.25000000000000 0.33193703372981 15.999 15 O 0.19168930417134 0.75000000000000 0.83193703372981 15.999 16 O 0.80831069582866 0.25000000000000 0.16806296627019 15.999 17 Ca 0.76654330775991 0.75000000000000 0.33979385917466 40.078 18 Ca 0.23345669224009 0.25000000000000 0.66020614082534 40.078 19 Ca 0.26654330775991 0.75000000000000 0.16020614082534 40.078 20 Ca 0.73345669224009 0.25000000000000 0.83979385917466 40.078 21 Rh 0.59255048892502 0.25000000000000 0.09830033993603 102.906 22 Rh 0.40744951107498 0.75000000000000 0.90169966006397 102.906 23 Rh 0.09255048892502 0.25000000000000 0.40169966006397 102.906 24 Rh 0.90744951107498 0.75000000000000 0.59830033993603 102.906 25 Rh 0.94737022689743 0.75000000000000 0.11671410937497 102.906 26 Rh 0.05262977310257 0.25000000000000 0.88328589062503 102.906 27 Rh 0.44737022689743 0.75000000000000 0.38328589062503 102.906 28 Rh 0.55262977310257 0.25000000000000 0.61671410937497 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.937167010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.340598910000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.701664989999999 Atomic positions (fractional): 1 O 0.58763324816880 0.08333333333333 0.42704739014073 15.999 > 1 2 O 0.58763324816880 0.41666666666667 0.42704739014073 15.999 > 1 3 O 0.58763324816880 0.75000000000000 0.42704739014073 15.999 > 1 4 O 0.41236675183120 0.25000000000000 0.57295260985927 15.999 > 4 5 O 0.41236675183120 0.58333333333333 0.57295260985927 15.999 > 4 6 O 0.41236675183120 0.91666666666667 0.57295260985927 15.999 > 4 7 O 0.08763324816880 0.08333333333333 0.07295260985927 15.999 > 7 8 O 0.08763324816880 0.41666666666667 0.07295260985927 15.999 > 7 9 O 0.08763324816880 0.75000000000000 0.07295260985927 15.999 > 7 10 O 0.91236675183120 0.25000000000000 0.92704739014073 15.999 > 10 11 O 0.91236675183120 0.58333333333333 0.92704739014073 15.999 > 10 12 O 0.91236675183120 0.91666666666667 0.92704739014073 15.999 > 10 13 O 0.95532783985589 0.08333333333333 0.71183145350491 15.999 > 13 14 O 0.95532783985589 0.41666666666667 0.71183145350491 15.999 > 13 15 O 0.95532783985589 0.75000000000000 0.71183145350491 15.999 > 13 16 O 0.04467216014411 0.25000000000000 0.28816854649508 15.999 > 16 17 O 0.04467216014411 0.58333333333333 0.28816854649508 15.999 > 16 18 O 0.04467216014411 0.91666666666667 0.28816854649508 15.999 > 16 19 O 0.45532783985589 0.08333333333333 0.78816854649509 15.999 > 19 20 O 0.45532783985589 0.41666666666667 0.78816854649509 15.999 > 19 21 O 0.45532783985589 0.75000000000000 0.78816854649509 15.999 > 19 22 O 0.54467216014411 0.25000000000000 0.21183145350492 15.999 > 22 23 O 0.54467216014411 0.58333333333333 0.21183145350492 15.999 > 22 24 O 0.54467216014411 0.91666666666667 0.21183145350492 15.999 > 22 25 O 0.88207037559812 0.08333333333333 0.47335115450594 15.999 > 25 26 O 0.88207037559812 0.41666666666667 0.47335115450594 15.999 > 25 27 O 0.88207037559812 0.75000000000000 0.47335115450594 15.999 > 25 28 O 0.11792962440188 0.25000000000000 0.52664884549406 15.999 > 28 29 O 0.11792962440188 0.58333333333333 0.52664884549406 15.999 > 28 30 O 0.11792962440188 0.91666666666667 0.52664884549406 15.999 > 28 31 O 0.38207037559812 0.08333333333333 0.02664884549406 15.999 > 31 32 O 0.38207037559812 0.41666666666667 0.02664884549406 15.999 > 31 33 O 0.38207037559812 0.75000000000000 0.02664884549406 15.999 > 31 34 O 0.61792962440188 0.25000000000000 0.97335115450594 15.999 > 34 35 O 0.61792962440188 0.58333333333333 0.97335115450594 15.999 > 34 36 O 0.61792962440188 0.91666666666667 0.97335115450594 15.999 > 34 37 O 0.69168930417134 0.25000000000000 0.66806296627019 15.999 > 37 38 O 0.69168930417134 0.58333333333333 0.66806296627019 15.999 > 37 39 O 0.69168930417134 0.91666666666667 0.66806296627019 15.999 > 37 40 O 0.30831069582866 0.08333333333333 0.33193703372981 15.999 > 40 41 O 0.30831069582866 0.41666666666667 0.33193703372981 15.999 > 40 42 O 0.30831069582866 0.75000000000000 0.33193703372981 15.999 > 40 43 O 0.19168930417134 0.25000000000000 0.83193703372981 15.999 > 43 44 O 0.19168930417134 0.58333333333333 0.83193703372981 15.999 > 43 45 O 0.19168930417134 0.91666666666667 0.83193703372981 15.999 > 43 46 O 0.80831069582866 0.08333333333333 0.16806296627019 15.999 > 46 47 O 0.80831069582866 0.41666666666667 0.16806296627019 15.999 > 46 48 O 0.80831069582866 0.75000000000000 0.16806296627019 15.999 > 46 49 Ca 0.76654330775991 0.25000000000000 0.33979385917466 40.078 > 49 50 Ca 0.76654330775991 0.58333333333333 0.33979385917466 40.078 > 49 51 Ca 0.76654330775991 0.91666666666667 0.33979385917466 40.078 > 49 52 Ca 0.23345669224009 0.08333333333333 0.66020614082534 40.078 > 52 53 Ca 0.23345669224009 0.41666666666667 0.66020614082534 40.078 > 52 54 Ca 0.23345669224009 0.75000000000000 0.66020614082534 40.078 > 52 55 Ca 0.26654330775991 0.25000000000000 0.16020614082534 40.078 > 55 56 Ca 0.26654330775991 0.58333333333333 0.16020614082534 40.078 > 55 57 Ca 0.26654330775991 0.91666666666667 0.16020614082534 40.078 > 55 58 Ca 0.73345669224009 0.08333333333333 0.83979385917466 40.078 > 58 59 Ca 0.73345669224009 0.41666666666667 0.83979385917466 40.078 > 58 60 Ca 0.73345669224009 0.75000000000000 0.83979385917466 40.078 > 58 61 Rh 0.59255048892502 0.08333333333333 0.09830033993603 102.906 > 61 62 Rh 0.59255048892502 0.41666666666667 0.09830033993603 102.906 > 61 63 Rh 0.59255048892502 0.75000000000000 0.09830033993603 102.906 > 61 64 Rh 0.40744951107498 0.25000000000000 0.90169966006397 102.906 > 64 65 Rh 0.40744951107498 0.58333333333333 0.90169966006397 102.906 > 64 66 Rh 0.40744951107498 0.91666666666667 0.90169966006397 102.906 > 64 67 Rh 0.09255048892502 0.08333333333333 0.40169966006397 102.906 > 67 68 Rh 0.09255048892502 0.41666666666667 0.40169966006397 102.906 > 67 69 Rh 0.09255048892502 0.75000000000000 0.40169966006397 102.906 > 67 70 Rh 0.90744951107498 0.25000000000000 0.59830033993603 102.906 > 70 71 Rh 0.90744951107498 0.58333333333333 0.59830033993603 102.906 > 70 72 Rh 0.90744951107498 0.91666666666667 0.59830033993603 102.906 > 70 73 Rh 0.94737022689743 0.25000000000000 0.11671410937497 102.906 > 73 74 Rh 0.94737022689743 0.58333333333333 0.11671410937497 102.906 > 73 75 Rh 0.94737022689743 0.91666666666667 0.11671410937497 102.906 > 73 76 Rh 0.05262977310257 0.08333333333333 0.88328589062503 102.906 > 76 77 Rh 0.05262977310257 0.41666666666667 0.88328589062503 102.906 > 76 78 Rh 0.05262977310257 0.75000000000000 0.88328589062503 102.906 > 76 79 Rh 0.44737022689743 0.25000000000000 0.38328589062503 102.906 > 79 80 Rh 0.44737022689743 0.58333333333333 0.38328589062503 102.906 > 79 81 Rh 0.44737022689743 0.91666666666667 0.38328589062503 102.906 > 79 82 Rh 0.55262977310257 0.08333333333333 0.61671410937497 102.906 > 82 83 Rh 0.55262977310257 0.41666666666667 0.61671410937497 102.906 > 82 84 Rh 0.55262977310257 0.75000000000000 0.61671410937497 102.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.0716370 0.0000000 0.0000000 0.0000000 10.2414785 0.0000000 0.0000000 0.0000000 9.9029077 -------------------------- Born effective charges -------------------------- 1 O -1.7146610 0.0000000 -0.1819661 0.0000000 -2.3145128 0.0000000 0.1164963 0.0000000 -1.9244991 2 O -1.7146610 0.0000000 -0.1819661 0.0000000 -2.3145128 0.0000000 0.1164963 0.0000000 -1.9244991 3 O -1.7146610 0.0000000 0.1819661 0.0000000 -2.3145128 0.0000000 -0.1164963 0.0000000 -1.9244991 4 O -1.7146610 0.0000000 0.1819661 0.0000000 -2.3145128 0.0000000 -0.1164963 0.0000000 -1.9244991 5 O -0.7921940 0.0000000 0.1254696 0.0000000 -1.3103776 0.0000000 -0.1577280 0.0000000 -1.8189540 6 O -0.7921940 0.0000000 0.1254696 0.0000000 -1.3103776 0.0000000 -0.1577280 0.0000000 -1.8189540 7 O -0.7921940 0.0000000 -0.1254696 0.0000000 -1.3103776 0.0000000 0.1577280 0.0000000 -1.8189540 8 O -0.7921940 0.0000000 -0.1254696 0.0000000 -1.3103776 0.0000000 0.1577280 0.0000000 -1.8189540 9 O -1.9164336 0.0000000 0.1975617 0.0000000 -2.0803342 0.0000000 0.0713985 0.0000000 -1.8059893 10 O -1.9164336 0.0000000 0.1975617 0.0000000 -2.0803342 0.0000000 0.0713985 0.0000000 -1.8059893 11 O -1.9164336 0.0000000 -0.1975617 0.0000000 -2.0803342 0.0000000 -0.0713985 0.0000000 -1.8059893 12 O -1.9164336 0.0000000 -0.1975617 0.0000000 -2.0803342 0.0000000 -0.0713985 0.0000000 -1.8059893 13 O -1.5107779 0.0000000 -0.2346268 0.0000000 -1.7755121 0.0000000 -0.2184429 0.0000000 -0.8740219 14 O -1.5107779 0.0000000 -0.2346268 0.0000000 -1.7755121 0.0000000 -0.2184429 0.0000000 -0.8740219 15 O -1.5107779 0.0000000 0.2346268 0.0000000 -1.7755121 0.0000000 0.2184429 0.0000000 -0.8740219 16 O -1.5107779 0.0000000 0.2346268 0.0000000 -1.7755121 0.0000000 0.2184429 0.0000000 -0.8740219 17 Ca 3.4268502 0.0000000 0.1237710 0.0000000 2.4364892 0.0000000 0.0418721 0.0000000 3.2550627 18 Ca 3.4268502 0.0000000 0.1237710 0.0000000 2.4364892 0.0000000 0.0418721 0.0000000 3.2550627 19 Ca 3.4268502 0.0000000 -0.1237710 0.0000000 2.4364892 0.0000000 -0.0418721 0.0000000 3.2550627 20 Ca 3.4268502 0.0000000 -0.1237710 0.0000000 2.4364892 0.0000000 -0.0418721 0.0000000 3.2550627 21 Rh 1.5857506 0.0000000 0.9735366 0.0000000 2.4393799 0.0000000 1.0376184 0.0000000 1.2294733 22 Rh 1.5857506 0.0000000 0.9735366 0.0000000 2.4393799 0.0000000 1.0376184 0.0000000 1.2294733 23 Rh 1.5857506 0.0000000 -0.9735366 0.0000000 2.4393799 0.0000000 -1.0376184 0.0000000 1.2294733 24 Rh 1.5857506 0.0000000 -0.9735366 0.0000000 2.4393799 0.0000000 -1.0376184 0.0000000 1.2294733 25 Rh 0.9214656 0.0000000 -0.6460115 0.0000000 2.6048675 0.0000000 -0.5220207 0.0000000 1.9389283 26 Rh 0.9214656 0.0000000 -0.6460115 0.0000000 2.6048675 0.0000000 -0.5220207 0.0000000 1.9389283 27 Rh 0.9214656 0.0000000 0.6460115 0.0000000 2.6048675 0.0000000 0.5220207 0.0000000 1.9389283 28 Rh 0.9214656 0.0000000 0.6460115 0.0000000 2.6048675 0.0000000 0.5220207 0.0000000 1.9389283 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yxy) -0.00000000 (yxy) -0.00000000 (yyx) 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 ... [ 6 16 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 289, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 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 2.850 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.546 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000 6.904 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.806 ( 0.000 0.000 0.000) 0.000 7.833 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 11.634 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.399 ( 0.000 0.000 0.000) 0.000 13.881 ( 0.000 0.000 0.000) 0.000 13.923 ( 0.000 0.000 0.000) 0.000 14.050 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.313 ( 0.000 0.000 0.000) 0.000 14.361 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 14.528 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.627 ( 0.000 0.000 0.000) 0.000 14.628 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 14.940 ( 0.000 0.000 0.000) 0.000 15.004 ( 0.000 0.000 0.000) 0.000 15.058 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.286 ( 0.000 0.000 0.000) 0.000 15.627 ( 0.000 0.000 0.000) 0.000 15.804 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 15.834 ( 0.000 0.000 0.000) 0.000 15.987 ( 0.000 0.000 0.000) 0.000 16.000 ( 0.000 0.000 0.000) 0.000 16.073 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.348 ( 0.000 0.000 0.000) 0.000 16.539 ( 0.000 0.000 0.000) 0.000 16.600 ( 0.000 0.000 0.000) 0.000 16.810 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 17.094 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 17.919 ( 0.000 0.000 0.000) 0.000 18.002 ( 0.000 0.000 0.000) 0.000 18.208 ( 0.000 0.000 0.000) 0.000 19.097 ( 0.000 0.000 0.000) 0.000 19.128 ( 0.000 0.000 0.000) 0.000 19.140 ( 0.000 0.000 0.000) 0.000 19.337 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.17 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 29.581 0.000 0.000) 29.581 0.590 ( 31.742 0.000 0.000) 31.742 1.167 ( 61.777 0.000 0.000) 61.777 2.645 ( -20.483 0.000 0.000) 20.483 2.798 ( -18.820 0.000 0.000) 18.820 3.005 ( 10.487 0.000 0.000) 10.487 3.027 ( 9.395 0.000 0.000) 9.395 3.212 ( 2.792 0.000 0.000) 2.792 3.944 ( -10.878 0.000 0.000) 10.878 3.982 ( -1.104 0.000 0.000) 1.104 4.064 ( -7.481 0.000 0.000) 7.481 4.284 ( 4.182 0.000 0.000) 4.182 4.462 ( -2.952 0.000 0.000) 2.952 4.581 ( 9.343 0.000 0.000) 9.343 4.592 ( 18.445 0.000 0.000) 18.445 4.844 ( -7.595 0.000 0.000) 7.595 4.873 ( 4.914 0.000 0.000) 4.914 5.204 ( -15.154 0.000 0.000) 15.154 5.209 ( 2.163 0.000 0.000) 2.163 5.400 ( 6.310 0.000 0.000) 6.310 5.479 ( -11.652 0.000 0.000) 11.652 5.753 ( 7.925 0.000 0.000) 7.925 5.783 ( 2.099 0.000 0.000) 2.099 5.793 ( 4.284 0.000 0.000) 4.284 6.012 ( 8.282 0.000 0.000) 8.282 6.268 ( 1.927 0.000 0.000) 1.927 6.375 ( -10.514 0.000 0.000) 10.514 6.491 ( -5.744 0.000 0.000) 5.744 6.583 ( -4.460 0.000 0.000) 4.460 6.939 ( 3.261 0.000 0.000) 3.261 7.302 ( 2.520 0.000 0.000) 2.520 7.623 ( -12.154 0.000 0.000) 12.154 7.719 ( -8.041 0.000 0.000) 8.041 7.759 ( -1.947 0.000 0.000) 1.947 8.087 ( 4.735 0.000 0.000) 4.735 8.154 ( -1.194 0.000 0.000) 1.194 8.196 ( 2.208 0.000 0.000) 2.208 8.346 ( -6.291 0.000 0.000) 6.291 8.778 ( 9.865 0.000 0.000) 9.865 9.165 ( -2.029 0.000 0.000) 2.029 11.709 ( 6.455 0.000 0.000) 6.455 12.519 ( -4.635 0.000 0.000) 4.635 13.167 ( -4.868 0.000 0.000) 4.868 13.252 ( -12.661 0.000 0.000) 12.661 13.912 ( 3.264 0.000 0.000) 3.264 13.939 ( 2.958 0.000 0.000) 2.958 14.248 ( -4.288 0.000 0.000) 4.288 14.251 ( -4.841 0.000 0.000) 4.841 14.441 ( -3.971 0.000 0.000) 3.971 14.461 ( -0.751 0.000 0.000) 0.751 14.467 ( -5.297 0.000 0.000) 5.297 14.562 ( -5.691 0.000 0.000) 5.691 14.634 ( 9.351 0.000 0.000) 9.351 14.657 ( 6.810 0.000 0.000) 6.810 14.706 ( 4.204 0.000 0.000) 4.204 14.776 ( 8.681 0.000 0.000) 8.681 15.016 ( 6.659 0.000 0.000) 6.659 15.074 ( 6.055 0.000 0.000) 6.055 15.215 ( 0.122 0.000 0.000) 0.122 15.299 ( 5.498 0.000 0.000) 5.498 15.326 ( 4.061 0.000 0.000) 4.061 15.511 ( 5.150 0.000 0.000) 5.150 15.676 ( 5.212 0.000 0.000) 5.212 15.820 ( 0.376 0.000 0.000) 0.376 15.836 ( 0.413 0.000 0.000) 0.413 15.981 ( -1.951 0.000 0.000) 1.951 15.992 ( 0.421 0.000 0.000) 0.421 16.069 ( -0.267 0.000 0.000) 0.267 16.136 ( -1.307 0.000 0.000) 1.307 16.241 ( 2.948 0.000 0.000) 2.948 16.314 ( -3.517 0.000 0.000) 3.517 16.574 ( -2.124 0.000 0.000) 2.124 16.578 ( -2.036 0.000 0.000) 2.036 16.771 ( -4.747 0.000 0.000) 4.747 16.772 ( -3.964 0.000 0.000) 3.964 17.061 ( -7.339 0.000 0.000) 7.339 17.905 ( 0.153 0.000 0.000) 0.153 17.919 ( -0.085 0.000 0.000) 0.085 18.014 ( 1.343 0.000 0.000) 1.343 18.193 ( -1.548 0.000 0.000) 1.548 19.101 ( 0.105 0.000 0.000) 0.105 19.125 ( -0.242 0.000 0.000) 0.242 19.152 ( 1.254 0.000 0.000) 1.254 19.321 ( -1.613 0.000 0.000) 1.613 ======================= Grid point 2 (3/108) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 29.668 0.000 0.000) 29.668 1.184 ( 31.953 0.000 0.000) 31.953 2.185 ( -27.041 0.000 0.000) 27.041 2.286 ( 57.237 0.000 0.000) 57.237 2.341 ( -28.431 0.000 0.000) 28.431 3.232 ( 10.551 0.000 0.000) 10.551 3.233 ( 12.100 0.000 0.000) 12.100 3.314 ( 7.752 0.000 0.000) 7.752 3.716 ( -12.664 0.000 0.000) 12.664 3.930 ( -6.783 0.000 0.000) 6.783 3.951 ( -2.622 0.000 0.000) 2.622 4.137 ( -31.653 0.000 0.000) 31.653 4.383 ( 6.391 0.000 0.000) 6.391 4.681 ( -8.430 0.000 0.000) 8.430 4.761 ( 7.984 0.000 0.000) 7.984 4.890 ( 8.976 0.000 0.000) 8.976 4.929 ( 0.240 0.000 0.000) 0.240 5.021 ( -4.275 0.000 0.000) 4.275 5.288 ( 6.114 0.000 0.000) 6.114 5.406 ( 7.694 0.000 0.000) 7.694 5.470 ( -0.113 0.000 0.000) 0.113 5.857 ( 1.542 0.000 0.000) 1.542 5.889 ( 9.774 0.000 0.000) 9.774 5.908 ( 7.912 0.000 0.000) 7.912 6.116 ( 3.131 0.000 0.000) 3.131 6.130 ( -13.415 0.000 0.000) 13.415 6.337 ( -10.530 0.000 0.000) 10.530 6.362 ( 2.700 0.000 0.000) 2.700 6.492 ( 0.631 0.000 0.000) 0.631 6.972 ( -2.872 0.000 0.000) 2.872 7.321 ( -0.919 0.000 0.000) 0.919 7.364 ( -11.967 0.000 0.000) 11.967 7.575 ( -5.592 0.000 0.000) 5.592 7.661 ( -7.816 0.000 0.000) 7.816 8.154 ( 2.698 0.000 0.000) 2.698 8.185 ( 4.766 0.000 0.000) 4.766 8.232 ( 1.499 0.000 0.000) 1.499 8.302 ( -0.883 0.000 0.000) 0.883 8.927 ( 6.333 0.000 0.000) 6.333 9.109 ( -3.884 0.000 0.000) 3.884 11.882 ( 11.780 0.000 0.000) 11.780 12.376 ( -10.970 0.000 0.000) 10.970 13.046 ( -7.380 0.000 0.000) 7.380 13.064 ( -5.389 0.000 0.000) 5.389 13.995 ( 5.394 0.000 0.000) 5.394 14.030 ( 5.884 0.000 0.000) 5.884 14.173 ( -3.033 0.000 0.000) 3.033 14.175 ( -3.041 0.000 0.000) 3.041 14.344 ( -7.151 0.000 0.000) 7.151 14.364 ( -3.405 0.000 0.000) 3.405 14.374 ( -3.992 0.000 0.000) 3.992 14.426 ( -8.292 0.000 0.000) 8.292 14.777 ( 5.229 0.000 0.000) 5.229 14.792 ( 4.059 0.000 0.000) 4.059 14.894 ( 13.132 0.000 0.000) 13.132 14.954 ( 9.033 0.000 0.000) 9.033 15.139 ( 5.686 0.000 0.000) 5.686 15.178 ( 4.083 0.000 0.000) 4.083 15.236 ( 1.709 0.000 0.000) 1.709 15.326 ( -1.359 0.000 0.000) 1.359 15.467 ( 8.530 0.000 0.000) 8.530 15.596 ( 2.933 0.000 0.000) 2.933 15.792 ( 5.833 0.000 0.000) 5.833 15.833 ( 1.081 0.000 0.000) 1.081 15.853 ( 1.458 0.000 0.000) 1.458 15.935 ( -2.711 0.000 0.000) 2.711 15.996 ( 0.175 0.000 0.000) 0.175 16.074 ( 1.210 0.000 0.000) 1.210 16.094 ( -3.246 0.000 0.000) 3.246 16.226 ( -5.531 0.000 0.000) 5.531 16.350 ( 8.865 0.000 0.000) 8.865 16.537 ( -1.240 0.000 0.000) 1.240 16.547 ( -0.293 0.000 0.000) 0.293 16.659 ( -6.510 0.000 0.000) 6.510 16.676 ( -5.733 0.000 0.000) 5.733 16.871 ( -12.444 0.000 0.000) 12.444 17.909 ( 0.223 0.000 0.000) 0.223 17.916 ( -0.157 0.000 0.000) 0.157 18.050 ( 2.404 0.000 0.000) 2.404 18.153 ( -2.611 0.000 0.000) 2.611 19.105 ( 0.295 0.000 0.000) 0.295 19.119 ( -0.397 0.000 0.000) 0.397 19.185 ( 2.177 0.000 0.000) 2.177 19.281 ( -2.569 0.000 0.000) 2.569 ======================= Grid point 3 (4/108) ======================= q-point: (-0.50 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -29.239 0.000 0.000) 29.239 1.654 ( 29.239 0.000 0.000) 29.239 1.777 ( -31.394 0.000 0.000) 31.394 1.777 ( 31.394 0.000 0.000) 31.394 3.235 ( -31.100 0.000 0.000) 31.100 3.235 ( 31.100 0.000 0.000) 31.100 3.433 ( -19.626 0.000 0.000) 19.626 3.433 ( 19.626 0.000 0.000) 19.626 3.492 ( -11.065 0.000 0.000) 11.065 3.492 ( 11.065 0.000 0.000) 11.065 3.900 ( -1.175 0.000 0.000) 1.175 3.900 ( 1.175 0.000 0.000) 1.175 4.520 ( -8.209 0.000 0.000) 8.209 4.520 ( 8.209 0.000 0.000) 8.209 4.884 ( -4.702 0.000 0.000) 4.702 4.884 ( 4.702 0.000 0.000) 4.702 4.964 ( -2.524 0.000 0.000) 2.524 4.964 ( 2.524 0.000 0.000) 2.524 5.407 ( -5.723 0.000 0.000) 5.723 5.407 ( 5.723 0.000 0.000) 5.723 5.691 ( -17.256 0.000 0.000) 17.256 5.691 ( 17.256 0.000 0.000) 17.256 6.017 ( -1.590 0.000 0.000) 1.590 6.017 ( 1.590 0.000 0.000) 1.590 6.113 ( -12.921 0.000 0.000) 12.921 6.113 ( 12.921 0.000 0.000) 12.921 6.213 ( -9.884 0.000 0.000) 9.884 6.213 ( 9.884 0.000 0.000) 9.884 6.746 ( -17.886 0.000 0.000) 17.886 6.746 ( 17.886 0.000 0.000) 17.886 7.287 ( -1.412 0.000 0.000) 1.412 7.287 ( 1.412 0.000 0.000) 1.412 7.548 ( -2.830 0.000 0.000) 2.830 7.548 ( 2.830 0.000 0.000) 2.830 8.211 ( -1.979 0.000 0.000) 1.979 8.211 ( 1.979 0.000 0.000) 1.979 8.273 ( -2.456 0.000 0.000) 2.456 8.273 ( 2.456 0.000 0.000) 2.456 9.027 ( -4.783 0.000 0.000) 4.783 9.027 ( 4.783 0.000 0.000) 4.783 12.131 ( -14.206 0.000 0.000) 14.206 12.131 ( 14.206 0.000 0.000) 14.206 12.995 ( -1.272 0.000 0.000) 1.272 12.995 ( 1.272 0.000 0.000) 1.272 14.086 ( -2.378 0.000 0.000) 2.378 14.086 ( 2.378 0.000 0.000) 2.378 14.145 ( -0.097 0.000 0.000) 0.097 14.145 ( 0.097 0.000 0.000) 0.097 14.292 ( -3.888 0.000 0.000) 3.888 14.292 ( 3.888 0.000 0.000) 3.888 14.333 ( -0.225 0.000 0.000) 0.225 14.333 ( 0.225 0.000 0.000) 0.225 14.831 ( -0.301 0.000 0.000) 0.301 14.831 ( 0.301 0.000 0.000) 0.301 15.042 ( -1.494 0.000 0.000) 1.494 15.042 ( 1.494 0.000 0.000) 1.494 15.206 ( -1.178 0.000 0.000) 1.178 15.206 ( 1.178 0.000 0.000) 1.178 15.276 ( -3.014 0.000 0.000) 3.014 15.276 ( 3.014 0.000 0.000) 3.014 15.591 ( -3.837 0.000 0.000) 3.837 15.591 ( 3.837 0.000 0.000) 3.837 15.850 ( -0.159 0.000 0.000) 0.159 15.850 ( 0.159 0.000 0.000) 0.159 15.888 ( -2.223 0.000 0.000) 2.223 15.888 ( 2.223 0.000 0.000) 2.223 16.025 ( -3.350 0.000 0.000) 3.350 16.025 ( 3.350 0.000 0.000) 3.350 16.127 ( -4.486 0.000 0.000) 4.486 16.127 ( 4.486 0.000 0.000) 4.486 16.507 ( -4.813 0.000 0.000) 4.813 16.507 ( 4.813 0.000 0.000) 4.813 16.591 ( -1.719 0.000 0.000) 1.719 16.591 ( 1.719 0.000 0.000) 1.719 16.633 ( -11.041 0.000 0.000) 11.041 16.633 ( 11.041 0.000 0.000) 11.041 17.913 ( -0.210 0.000 0.000) 0.210 17.913 ( 0.210 0.000 0.000) 0.210 18.100 ( -2.898 0.000 0.000) 2.898 18.100 ( 2.898 0.000 0.000) 2.898 19.111 ( -0.415 0.000 0.000) 0.415 19.111 ( 0.415 0.000 0.000) 0.415 19.231 ( -2.688 0.000 0.000) 2.688 19.231 ( 2.688 0.000 0.000) 2.688 ======================= Grid point 7 (5/108) ======================= q-point: ( 0.00 0.06 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 31.288 0.000) 31.288 0.765 ( 0.000 38.718 0.000) 38.718 1.480 ( 0.000 73.598 0.000) 73.598 2.928 ( 0.000 8.170 0.000) 8.170 2.986 ( 0.000 8.644 0.000) 8.644 2.989 ( 0.000 5.917 0.000) 5.917 3.184 ( 0.000 17.551 0.000) 17.551 3.332 ( 0.000 14.668 0.000) 14.668 3.849 ( 0.000 -4.255 0.000) 4.255 4.148 ( 0.000 -0.398 0.000) 0.398 4.312 ( 0.000 4.128 0.000) 4.128 4.332 ( 0.000 16.206 0.000) 16.206 4.494 ( 0.000 11.706 0.000) 11.706 4.521 ( 0.000 9.099 0.000) 9.099 4.547 ( 0.000 6.147 0.000) 6.147 5.032 ( 0.000 20.830 0.000) 20.830 5.059 ( 0.000 10.742 0.000) 10.742 5.301 ( 0.000 4.630 0.000) 4.630 5.629 ( 0.000 2.826 0.000) 2.826 5.674 ( 0.000 0.351 0.000) 0.351 5.695 ( 0.000 21.742 0.000) 21.742 5.720 ( 0.000 8.478 0.000) 8.478 5.836 ( 0.000 14.158 0.000) 14.158 5.894 ( 0.000 11.481 0.000) 11.481 5.982 ( 0.000 10.386 0.000) 10.386 6.327 ( 0.000 6.679 0.000) 6.679 6.535 ( 0.000 5.625 0.000) 5.625 6.642 ( 0.000 1.851 0.000) 1.851 6.695 ( 0.000 14.040 0.000) 14.040 6.925 ( 0.000 2.022 0.000) 2.022 7.304 ( 0.000 3.847 0.000) 3.847 7.510 ( 0.000 -1.081 0.000) 1.081 7.709 ( 0.000 -1.338 0.000) 1.338 7.784 ( 0.000 -2.106 0.000) 2.106 7.792 ( 0.000 -4.000 0.000) 4.000 8.018 ( 0.000 -1.995 0.000) 1.995 8.139 ( 0.000 -2.748 0.000) 2.748 8.142 ( 0.000 -0.577 0.000) 0.577 8.475 ( 0.000 -4.024 0.000) 4.024 9.134 ( 0.000 -4.870 0.000) 4.870 11.678 ( 0.000 4.345 0.000) 4.345 12.518 ( 0.000 -4.001 0.000) 4.001 13.197 ( 0.000 -2.215 0.000) 2.215 13.270 ( 0.000 -12.151 0.000) 12.151 13.773 ( 0.000 -9.213 0.000) 9.213 13.803 ( 0.000 -8.447 0.000) 8.447 13.999 ( 0.000 -4.713 0.000) 4.713 14.273 ( 0.000 -5.246 0.000) 5.246 14.327 ( 0.000 1.247 0.000) 1.247 14.346 ( 0.000 1.206 0.000) 1.206 14.494 ( 0.000 -5.806 0.000) 5.806 14.547 ( 0.000 -6.611 0.000) 6.611 14.636 ( 0.000 5.207 0.000) 5.207 14.661 ( 0.000 11.295 0.000) 11.295 14.782 ( 0.000 6.284 0.000) 6.284 14.808 ( 0.000 7.340 0.000) 7.340 14.933 ( 0.000 -4.519 0.000) 4.519 14.948 ( 0.000 0.720 0.000) 0.720 15.112 ( 0.000 2.931 0.000) 2.931 15.155 ( 0.000 -5.741 0.000) 5.741 15.208 ( 0.000 -2.257 0.000) 2.257 15.284 ( 0.000 0.450 0.000) 0.450 15.593 ( 0.000 -2.985 0.000) 2.985 15.795 ( 0.000 -0.749 0.000) 0.749 15.828 ( 0.000 1.058 0.000) 1.058 15.895 ( 0.000 5.454 0.000) 5.454 15.957 ( 0.000 -2.403 0.000) 2.403 15.978 ( 0.000 -1.619 0.000) 1.619 16.232 ( 0.000 0.575 0.000) 0.575 16.407 ( 0.000 4.667 0.000) 4.667 16.534 ( 0.000 -0.384 0.000) 0.384 16.559 ( 0.000 3.532 0.000) 3.532 16.618 ( 0.000 1.847 0.000) 1.847 16.728 ( 0.000 -6.761 0.000) 6.761 16.802 ( 0.000 -0.674 0.000) 0.674 16.924 ( 0.000 -14.844 0.000) 14.844 17.943 ( 0.000 3.610 0.000) 3.610 18.006 ( 0.000 6.807 0.000) 6.807 18.079 ( 0.000 6.707 0.000) 6.707 19.084 ( 0.000 -1.330 0.000) 1.330 19.110 ( 0.000 -1.777 0.000) 1.777 19.127 ( 0.000 -1.380 0.000) 1.380 19.316 ( 0.000 -2.147 0.000) 2.147 19.349 ( 0.000 -3.986 0.000) 3.986 ======================= Grid point 8 (6/108) ======================= q-point: ( 0.17 0.06 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 16.972 31.253 0.000) 35.565 0.961 ( 27.240 23.522 0.000) 35.990 1.823 ( 34.720 57.092 0.000) 66.821 2.725 ( -19.219 8.560 0.000) 21.039 2.933 ( -14.787 11.003 0.000) 18.431 3.083 ( 9.733 8.191 0.000) 12.721 3.143 ( 5.368 12.461 0.000) 13.568 3.372 ( 4.287 15.908 0.000) 16.476 3.872 ( 2.239 -2.469 0.000) 3.333 4.073 ( -6.339 1.104 0.000) 6.434 4.135 ( -11.885 12.629 0.000) 17.342 4.475 ( 4.318 13.957 0.000) 14.609 4.512 ( -4.416 7.234 0.000) 8.475 4.626 ( 16.105 5.060 0.000) 16.881 4.649 ( 9.189 5.645 0.000) 10.785 4.961 ( -8.398 9.233 0.000) 12.481 5.087 ( 4.203 19.026 0.000) 19.485 5.315 ( -4.074 11.707 0.000) 12.395 5.453 ( -10.228 8.441 0.000) 13.261 5.568 ( -1.739 15.068 0.000) 15.168 5.573 ( -5.950 14.847 0.000) 15.995 5.815 ( 2.453 10.141 0.000) 10.433 5.840 ( 2.823 6.825 0.000) 7.386 5.923 ( 3.906 9.810 0.000) 10.559 6.079 ( 6.636 7.226 0.000) 9.811 6.336 ( 2.012 6.772 0.000) 7.065 6.478 ( -9.059 9.859 0.000) 13.389 6.577 ( -3.291 0.327 0.000) 3.307 6.640 ( -5.520 13.556 0.000) 14.637 6.975 ( 4.349 3.766 0.000) 5.753 7.332 ( 1.980 3.157 0.000) 3.726 7.604 ( -11.689 -1.928 0.000) 11.847 7.709 ( -7.091 -0.968 0.000) 7.156 7.712 ( 0.012 -5.855 0.000) 5.855 7.928 ( 11.885 -17.552 0.000) 21.198 8.057 ( 3.910 -2.754 0.000) 4.782 8.161 ( 1.865 -3.215 0.000) 3.717 8.194 ( 4.357 -3.550 0.000) 5.620 8.559 ( 10.845 -7.934 0.000) 13.437 9.111 ( -2.441 -5.240 0.000) 5.781 11.738 ( 6.221 3.555 0.000) 7.166 12.485 ( -3.731 -3.145 0.000) 4.880 13.130 ( -5.788 -3.251 0.000) 6.639 13.139 ( -11.304 -10.605 0.000) 15.500 13.808 ( 3.711 -8.531 0.000) 9.303 13.841 ( 4.157 -7.293 0.000) 8.395 14.186 ( 5.592 -11.369 0.000) 12.669 14.259 ( -3.936 -0.202 0.000) 3.941 14.318 ( 2.401 -2.499 0.000) 3.466 14.409 ( 5.820 -4.293 0.000) 7.232 14.420 ( -6.722 -4.711 0.000) 8.208 14.532 ( -3.487 -1.770 0.000) 3.911 14.673 ( 5.095 -0.357 0.000) 5.107 14.681 ( 2.119 9.457 0.000) 9.692 14.749 ( 2.244 6.348 0.000) 6.733 14.797 ( 4.124 4.231 0.000) 5.908 15.028 ( 6.141 0.345 0.000) 6.151 15.056 ( 1.983 -6.772 0.000) 7.056 15.187 ( 6.150 0.165 0.000) 6.152 15.215 ( 10.063 -7.602 0.000) 12.611 15.277 ( 6.302 -2.579 0.000) 6.809 15.320 ( 3.139 0.513 0.000) 3.181 15.633 ( 4.320 -3.735 0.000) 5.711 15.821 ( 0.143 -0.777 0.000) 0.790 15.840 ( 2.722 -0.966 0.000) 2.889 15.926 ( 3.186 5.216 0.000) 6.112 15.929 ( -2.032 -2.221 0.000) 3.010 16.006 ( 1.753 -1.401 0.000) 2.244 16.214 ( -1.309 -1.235 0.000) 1.800 16.380 ( -2.533 3.985 0.000) 4.722 16.469 ( -8.259 6.350 0.000) 10.418 16.515 ( -2.152 -2.240 0.000) 3.106 16.608 ( -1.130 2.474 0.000) 2.720 16.706 ( -2.112 -4.513 0.000) 4.983 16.774 ( -2.762 1.177 0.000) 3.003 16.881 ( -4.821 -13.766 0.000) 14.586 17.947 ( 0.365 3.769 0.000) 3.786 18.000 ( -0.620 6.505 0.000) 6.535 18.096 ( 1.810 7.009 0.000) 7.239 18.881 ( -30.418 22.379 0.000) 37.763 19.089 ( -0.225 -1.213 0.000) 1.234 19.108 ( -0.205 -1.742 0.000) 1.754 19.141 ( 0.918 -0.978 0.000) 1.341 19.300 ( -1.556 -2.092 0.000) 2.607 ======================= Grid point 9 (7/108) ======================= q-point: ( 0.33 0.06 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 24.033 21.377 0.000) 32.165 1.475 ( 27.935 22.819 0.000) 36.070 2.293 ( -25.315 10.865 0.000) 27.548 2.521 ( -26.274 16.468 0.000) 31.008 2.627 ( 47.201 33.841 0.000) 58.079 3.300 ( 11.705 6.999 0.000) 13.638 3.324 ( 10.375 8.899 0.000) 13.669 3.486 ( 7.667 16.426 0.000) 18.127 3.875 ( -9.321 14.496 0.000) 17.234 3.942 ( -1.518 0.965 0.000) 1.799 3.961 ( -4.931 3.095 0.000) 5.822 4.219 ( -27.829 10.149 0.000) 29.622 4.515 ( 1.413 10.174 0.000) 10.272 4.763 ( -8.068 4.016 0.000) 9.012 4.841 ( 5.530 7.755 0.000) 9.525 4.909 ( 8.422 4.429 0.000) 9.516 5.139 ( 1.714 18.060 0.000) 18.141 5.192 ( -4.499 19.313 0.000) 19.830 5.411 ( 8.139 6.300 0.000) 10.292 5.540 ( 2.449 16.787 0.000) 16.965 5.619 ( 1.865 12.765 0.000) 12.900 5.850 ( 2.394 6.072 0.000) 6.527 5.923 ( 5.485 3.288 0.000) 6.395 6.000 ( 2.927 5.194 0.000) 5.962 6.154 ( 0.562 4.629 0.000) 4.663 6.216 ( -15.570 5.538 0.000) 16.526 6.442 ( 6.652 8.259 0.000) 10.604 6.520 ( -6.284 15.853 0.000) 17.053 6.553 ( 2.702 8.457 0.000) 8.879 7.022 ( -2.759 5.221 0.000) 5.906 7.341 ( -1.338 2.080 0.000) 2.473 7.357 ( -10.868 -0.720 0.000) 10.892 7.578 ( -5.434 0.358 0.000) 5.445 7.630 ( -6.646 -3.007 0.000) 7.295 8.061 ( 5.597 -8.920 0.000) 10.531 8.133 ( 3.167 -4.893 0.000) 5.828 8.196 ( 1.730 -3.385 0.000) 3.801 8.238 ( 0.546 -4.504 0.000) 4.537 8.782 ( 10.336 -11.013 0.000) 15.103 9.043 ( -4.777 -6.294 0.000) 7.901 11.903 ( 11.109 2.330 0.000) 11.351 12.362 ( -9.813 -1.082 0.000) 9.872 12.957 ( -6.173 -8.477 0.000) 10.486 13.013 ( -6.125 -4.870 0.000) 7.825 13.902 ( 6.053 -7.093 0.000) 9.324 13.946 ( 6.344 -6.038 0.000) 8.758 14.169 ( -2.434 -1.191 0.000) 2.710 14.177 ( -4.278 -0.754 0.000) 4.344 14.277 ( -6.959 -4.583 0.000) 8.333 14.305 ( -5.321 -8.876 0.000) 10.348 14.448 ( -0.903 4.573 0.000) 4.661 14.461 ( -2.631 6.818 0.000) 7.308 14.774 ( 5.937 -1.134 0.000) 6.045 14.801 ( 5.166 -4.436 0.000) 6.809 14.898 ( 11.834 2.428 0.000) 12.080 14.916 ( 7.105 2.062 0.000) 7.398 15.047 ( -1.175 -8.414 0.000) 8.496 15.117 ( 2.350 -2.766 0.000) 3.630 15.303 ( 5.598 1.467 0.000) 5.787 15.364 ( 1.977 1.873 0.000) 2.724 15.401 ( 7.222 -10.983 0.000) 13.145 15.411 ( 5.988 -3.031 0.000) 6.712 15.734 ( 5.493 -5.332 0.000) 7.656 15.819 ( -0.149 -1.688 0.000) 1.694 15.895 ( -0.845 -2.117 0.000) 2.280 15.900 ( 3.915 -2.693 0.000) 4.752 15.974 ( 1.012 5.122 0.000) 5.221 16.028 ( 1.022 -0.939 0.000) 1.388 16.176 ( -4.473 -1.888 0.000) 4.855 16.284 ( -10.647 3.777 0.000) 11.297 16.373 ( 4.304 0.410 0.000) 4.324 16.484 ( -0.453 -2.577 0.000) 2.617 16.570 ( -2.954 -0.781 0.000) 3.055 16.670 ( -1.098 3.813 0.000) 3.968 16.705 ( -5.272 1.259 0.000) 5.421 16.751 ( -7.679 -5.993 0.000) 9.741 17.956 ( 0.633 4.227 0.000) 4.274 17.986 ( -0.868 5.772 0.000) 5.837 18.150 ( 4.095 8.396 0.000) 9.342 18.460 ( -15.263 19.918 0.000) 25.093 19.091 ( 0.237 -1.430 0.000) 1.450 19.103 ( -0.336 -1.652 0.000) 1.686 19.170 ( 2.022 -1.447 0.000) 2.487 19.262 ( -2.467 -1.940 0.000) 3.138 ======================= Grid point 10 (8/108) ======================= q-point: (-0.50 0.06 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -26.131 15.012 0.000) 30.136 1.806 ( 26.131 15.012 0.000) 30.136 2.004 ( -28.404 19.867 0.000) 34.663 2.004 ( 28.404 19.867 0.000) 34.663 3.396 ( -12.195 13.016 0.000) 17.836 3.396 ( 12.195 13.016 0.000) 17.836 3.540 ( -32.060 13.708 0.000) 34.868 3.540 ( 32.060 13.708 0.000) 34.868 3.661 ( -9.786 16.463 0.000) 19.153 3.661 ( 9.786 16.463 0.000) 19.153 3.938 ( -0.494 4.159 0.000) 4.188 3.938 ( 0.494 4.159 0.000) 4.188 4.588 ( -7.415 4.435 0.000) 8.641 4.588 ( 7.415 4.435 0.000) 8.641 4.936 ( -2.626 5.607 0.000) 6.191 4.936 ( 2.626 5.607 0.000) 6.191 5.157 ( -0.377 19.918 0.000) 19.921 5.157 ( 0.377 19.918 0.000) 19.921 5.584 ( -4.774 14.955 0.000) 15.699 5.584 ( 4.774 14.955 0.000) 15.699 5.731 ( -16.718 4.803 0.000) 17.394 5.731 ( 16.718 4.803 0.000) 17.394 6.008 ( -2.443 1.149 0.000) 2.699 6.008 ( 2.443 1.149 0.000) 2.699 6.101 ( -4.096 2.279 0.000) 4.687 6.101 ( 4.096 2.279 0.000) 4.687 6.455 ( -0.021 18.388 0.000) 18.388 6.455 ( 0.021 18.388 0.000) 18.388 6.794 ( -17.394 4.990 0.000) 18.096 6.794 ( 17.394 4.990 0.000) 18.096 7.302 ( -1.873 1.598 0.000) 2.462 7.302 ( 1.873 1.598 0.000) 2.462 7.540 ( -1.701 -0.648 0.000) 1.820 7.540 ( 1.701 -0.648 0.000) 1.820 8.142 ( -2.385 -6.659 0.000) 7.073 8.142 ( 2.385 -6.659 0.000) 7.073 8.228 ( -1.460 -3.784 0.000) 4.056 8.228 ( 1.460 -3.784 0.000) 4.056 8.936 ( -6.724 -8.243 0.000) 10.638 8.936 ( 6.724 -8.243 0.000) 10.638 12.136 ( -13.293 0.787 0.000) 13.316 12.136 ( 13.293 0.787 0.000) 13.316 12.927 ( -2.291 -6.498 0.000) 6.890 12.927 ( 2.291 -6.498 0.000) 6.890 14.006 ( -2.995 -5.453 0.000) 6.221 14.006 ( 2.995 -5.453 0.000) 6.221 14.132 ( -1.280 -1.700 0.000) 2.128 14.132 ( 1.280 -1.700 0.000) 2.128 14.214 ( -1.467 -5.849 0.000) 6.030 14.214 ( 1.467 -5.849 0.000) 6.030 14.435 ( -0.183 7.629 0.000) 7.631 14.435 ( 0.183 7.629 0.000) 7.631 14.842 ( -0.877 -2.009 0.000) 2.192 14.842 ( 0.877 -2.009 0.000) 2.192 15.013 ( -2.810 -4.407 0.000) 5.227 15.013 ( 2.810 -4.407 0.000) 5.227 15.084 ( -6.160 -2.049 0.000) 6.492 15.084 ( 6.160 -2.049 0.000) 6.492 15.373 ( -1.536 2.558 0.000) 2.984 15.373 ( 1.536 2.558 0.000) 2.984 15.466 ( -0.194 -8.452 0.000) 8.454 15.466 ( 0.194 -8.452 0.000) 8.454 15.806 ( -1.841 -4.409 0.000) 4.778 15.806 ( 1.841 -4.409 0.000) 4.778 15.919 ( -2.541 -1.398 0.000) 2.900 15.919 ( 2.541 -1.398 0.000) 2.900 16.033 ( -5.433 5.019 0.000) 7.397 16.033 ( 5.433 5.019 0.000) 7.397 16.114 ( -5.354 -3.491 0.000) 6.392 16.114 ( 5.354 -3.491 0.000) 6.392 16.503 ( -0.221 -0.823 0.000) 0.852 16.503 ( 0.221 -0.823 0.000) 0.852 16.539 ( -8.148 -6.996 0.000) 10.739 16.539 ( 8.148 -6.996 0.000) 10.739 16.676 ( -1.729 8.062 0.000) 8.245 16.676 ( 1.729 8.062 0.000) 8.245 17.970 ( -0.811 4.932 0.000) 4.998 17.970 ( 0.811 4.932 0.000) 4.998 18.256 ( -7.669 12.232 0.000) 14.437 18.256 ( 7.669 12.232 0.000) 14.437 19.096 ( -0.350 -1.537 0.000) 1.576 19.096 ( 0.350 -1.537 0.000) 1.576 19.214 ( -2.554 -1.719 0.000) 3.079 19.214 ( 2.554 -1.719 0.000) 3.079 ======================= Grid point 14 (9/108) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.000 34.647 0.000) 34.647 1.562 ( 0.000 40.685 0.000) 40.685 2.949 ( 0.000 72.202 0.000) 72.202 3.185 ( 0.000 13.968 0.000) 13.968 3.193 ( 0.000 18.351 0.000) 18.351 3.242 ( 0.000 17.033 0.000) 17.033 3.556 ( 0.000 21.020 0.000) 21.020 3.818 ( 0.000 29.291 0.000) 29.291 3.862 ( 0.000 5.631 0.000) 5.631 4.166 ( 0.000 2.728 0.000) 2.728 4.422 ( 0.000 7.011 0.000) 7.011 4.657 ( 0.000 15.769 0.000) 15.769 4.697 ( 0.000 8.816 0.000) 8.816 4.824 ( 0.000 20.331 0.000) 20.331 4.836 ( 0.000 21.324 0.000) 21.324 5.290 ( 0.000 12.324 0.000) 12.324 5.506 ( 0.000 17.489 0.000) 17.489 5.514 ( 0.000 15.063 0.000) 15.063 5.710 ( 0.000 5.318 0.000) 5.318 5.777 ( 0.000 16.553 0.000) 16.553 5.942 ( 0.000 11.686 0.000) 11.686 6.135 ( 0.000 14.054 0.000) 14.054 6.230 ( 0.000 23.919 0.000) 23.919 6.253 ( 0.000 28.806 0.000) 28.806 6.298 ( 0.000 21.241 0.000) 21.241 6.540 ( 0.000 14.587 0.000) 14.587 6.715 ( 0.000 13.499 0.000) 13.499 6.742 ( 0.000 9.531 0.000) 9.531 6.978 ( 0.000 3.021 0.000) 3.021 7.059 ( 0.000 20.276 0.000) 20.276 7.436 ( 0.000 9.535 0.000) 9.535 7.490 ( 0.000 -0.232 0.000) 0.232 7.669 ( 0.000 -2.668 0.000) 2.668 7.689 ( 0.000 -5.155 0.000) 5.155 7.728 ( 0.000 -3.112 0.000) 3.112 7.971 ( 0.000 -2.334 0.000) 2.334 8.074 ( 0.000 -3.119 0.000) 3.119 8.130 ( 0.000 -0.916 0.000) 0.916 8.369 ( 0.000 -5.678 0.000) 5.678 8.998 ( 0.000 -8.387 0.000) 8.387 11.803 ( 0.000 7.771 0.000) 7.771 12.417 ( 0.000 -5.576 0.000) 5.576 12.961 ( 0.000 -17.336 0.000) 17.336 13.115 ( 0.000 -6.324 0.000) 6.324 13.574 ( 0.000 -9.526 0.000) 9.526 13.639 ( 0.000 -7.920 0.000) 7.920 13.880 ( 0.000 -6.646 0.000) 6.646 14.107 ( 0.000 -10.381 0.000) 10.381 14.355 ( 0.000 1.430 0.000) 1.430 14.368 ( 0.000 -10.590 0.000) 10.590 14.384 ( 0.000 -5.410 0.000) 5.410 14.405 ( 0.000 4.083 0.000) 4.083 14.754 ( 0.000 -0.578 0.000) 0.578 14.765 ( 0.000 6.713 0.000) 6.713 14.849 ( 0.000 -3.668 0.000) 3.668 14.958 ( 0.000 -0.139 0.000) 0.139 14.965 ( 0.000 7.676 0.000) 7.676 14.986 ( 0.000 11.875 0.000) 11.875 15.039 ( 0.000 -4.607 0.000) 4.607 15.134 ( 0.000 -4.813 0.000) 4.813 15.152 ( 0.000 0.880 0.000) 0.880 15.329 ( 0.000 3.956 0.000) 3.956 15.523 ( 0.000 -3.818 0.000) 3.818 15.765 ( 0.000 -2.690 0.000) 2.690 15.856 ( 0.000 1.578 0.000) 1.578 15.907 ( 0.000 -2.419 0.000) 2.419 15.954 ( 0.000 -0.524 0.000) 0.524 16.027 ( 0.000 7.015 0.000) 7.015 16.220 ( 0.000 -1.628 0.000) 1.628 16.440 ( 0.000 -4.057 0.000) 4.057 16.519 ( 0.000 -3.896 0.000) 3.896 16.552 ( 0.000 -4.744 0.000) 4.744 16.586 ( 0.000 -14.375 0.000) 14.375 16.647 ( 0.000 1.463 0.000) 1.463 16.666 ( 0.000 2.488 0.000) 2.488 16.849 ( 0.000 5.075 0.000) 5.075 18.027 ( 0.000 4.182 0.000) 4.182 18.130 ( 0.000 4.701 0.000) 4.701 18.220 ( 0.000 6.326 0.000) 6.326 19.042 ( 0.000 -2.815 0.000) 2.815 19.057 ( 0.000 -3.528 0.000) 3.528 19.080 ( 0.000 -3.563 0.000) 3.563 19.235 ( 0.000 -7.062 0.000) 7.062 19.250 ( 0.000 -4.361 0.000) 4.361 ======================= Grid point 15 (10/108) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 21.611 29.999 0.000) 36.973 1.651 ( 9.293 38.389 0.000) 39.497 2.998 ( -16.710 20.230 0.000) 26.239 3.112 ( 16.426 65.618 0.000) 67.643 3.209 ( -2.226 17.161 0.000) 17.305 3.334 ( 8.327 17.004 0.000) 18.933 3.477 ( -4.448 19.393 0.000) 19.896 3.828 ( 2.881 27.221 0.000) 27.373 3.898 ( 3.866 5.519 0.000) 6.738 4.123 ( -4.017 4.318 0.000) 5.897 4.449 ( -4.983 17.029 0.000) 17.743 4.685 ( 8.334 9.161 0.000) 12.385 4.754 ( 2.438 10.830 0.000) 11.101 4.831 ( 0.507 18.070 0.000) 18.077 4.880 ( 4.224 18.111 0.000) 18.597 5.182 ( -9.035 13.417 0.000) 16.175 5.454 ( -4.784 8.846 0.000) 10.057 5.594 ( 6.538 13.960 0.000) 15.415 5.680 ( -0.329 21.434 0.000) 21.436 5.821 ( 2.885 11.222 0.000) 11.587 5.929 ( -1.934 17.024 0.000) 17.133 6.124 ( -1.285 13.569 0.000) 13.629 6.187 ( -2.939 25.243 0.000) 25.414 6.203 ( -3.267 24.746 0.000) 24.960 6.336 ( 2.780 19.061 0.000) 19.262 6.548 ( 1.660 14.594 0.000) 14.688 6.570 ( -12.011 3.902 0.000) 12.629 6.822 ( 4.935 20.699 0.000) 21.279 6.932 ( -3.408 11.389 0.000) 11.888 7.134 ( 5.933 14.090 0.000) 15.288 7.439 ( -0.179 7.870 0.000) 7.872 7.545 ( -6.253 -3.603 0.000) 7.217 7.565 ( -0.591 -4.647 0.000) 4.685 7.685 ( -4.274 -1.208 0.000) 4.441 7.749 ( 5.160 -4.841 0.000) 7.076 7.988 ( 1.550 -3.914 0.000) 4.210 8.086 ( 1.237 -3.394 0.000) 3.613 8.148 ( 1.421 -1.437 0.000) 2.021 8.410 ( 5.141 -7.547 0.000) 9.131 8.966 ( -3.420 -8.934 0.000) 9.566 11.848 ( 4.808 6.995 0.000) 8.488 12.409 ( -1.161 -4.081 0.000) 4.243 12.865 ( -8.653 -15.717 0.000) 17.941 13.032 ( -7.555 -6.782 0.000) 10.153 13.629 ( 5.621 -8.411 0.000) 10.117 13.692 ( 5.470 -7.383 0.000) 9.188 13.979 ( 7.585 -8.649 0.000) 11.504 14.154 ( 2.430 -9.992 0.000) 10.283 14.303 ( -4.981 -3.262 0.000) 5.954 14.322 ( -5.856 -4.498 0.000) 7.384 14.388 ( 0.313 2.319 0.000) 2.340 14.416 ( 5.202 -5.940 0.000) 7.896 14.745 ( -2.577 5.623 0.000) 6.186 14.829 ( 6.933 0.088 0.000) 6.933 14.852 ( 1.499 -1.945 0.000) 2.455 14.897 ( -4.242 8.650 0.000) 9.635 14.967 ( 0.276 4.265 0.000) 4.274 15.000 ( -0.268 -2.427 0.000) 2.442 15.091 ( 5.466 -5.253 0.000) 7.581 15.207 ( 6.373 -4.305 0.000) 7.691 15.215 ( 5.715 0.823 0.000) 5.774 15.368 ( 4.224 4.232 0.000) 5.980 15.549 ( 2.370 -4.409 0.000) 5.006 15.769 ( -0.235 -3.953 0.000) 3.960 15.858 ( 0.583 1.477 0.000) 1.588 15.902 ( -0.866 -0.717 0.000) 1.124 15.951 ( -1.054 -3.473 0.000) 3.630 16.039 ( 0.669 4.930 0.000) 4.975 16.180 ( -2.441 -2.112 0.000) 3.228 16.403 ( -3.308 -2.757 0.000) 4.306 16.459 ( -4.928 -8.325 0.000) 9.675 16.492 ( -6.049 -0.347 0.000) 6.059 16.586 ( -0.642 -10.699 0.000) 10.719 16.626 ( -2.035 1.948 0.000) 2.817 16.718 ( 4.382 3.860 0.000) 5.840 16.861 ( 0.905 5.761 0.000) 5.832 18.033 ( 0.639 4.253 0.000) 4.300 18.122 ( -0.886 4.734 0.000) 4.816 18.242 ( 2.394 6.457 0.000) 6.887 19.024 ( -9.804 -1.962 0.000) 9.998 19.049 ( -2.052 -3.221 0.000) 3.819 19.056 ( -0.109 -3.474 0.000) 3.475 19.121 ( -3.268 -1.565 0.000) 3.624 19.237 ( -1.379 -4.247 0.000) 4.465 ======================= Grid point 16 (11/108) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 16.154 33.035 0.000) 36.773 1.967 ( 27.058 26.088 0.000) 37.587 2.629 ( -21.215 22.439 0.000) 30.880 2.940 ( -22.499 24.263 0.000) 33.089 3.504 ( 13.506 21.721 0.000) 25.578 3.556 ( 8.430 13.547 0.000) 15.956 3.560 ( 24.608 46.764 0.000) 52.843 3.927 ( 6.030 25.686 0.000) 26.384 3.991 ( 5.029 5.805 0.000) 7.681 4.056 ( -1.078 6.840 0.000) 6.924 4.291 ( -8.948 24.380 0.000) 25.970 4.598 ( -18.172 26.556 0.000) 32.178 4.712 ( -5.373 9.766 0.000) 11.147 4.825 ( -6.442 5.207 0.000) 8.283 5.067 ( 10.109 9.807 0.000) 14.084 5.071 ( 0.384 13.997 0.000) 14.002 5.444 ( 7.901 7.917 0.000) 11.185 5.682 ( 1.484 22.742 0.000) 22.790 5.699 ( 1.624 24.634 0.000) 24.687 5.875 ( 3.172 12.150 0.000) 12.557 5.904 ( 0.166 16.653 0.000) 16.654 6.093 ( -1.834 13.317 0.000) 13.443 6.158 ( -0.067 22.698 0.000) 22.698 6.177 ( -0.477 13.273 0.000) 13.281 6.286 ( -15.704 7.695 0.000) 17.488 6.346 ( -2.741 15.651 0.000) 15.889 6.645 ( 8.770 12.884 0.000) 15.586 6.878 ( -2.001 17.120 0.000) 17.237 6.912 ( 4.466 24.400 0.000) 24.806 7.213 ( -3.214 15.348 0.000) 15.681 7.337 ( -6.325 -0.939 0.000) 6.394 7.410 ( -2.817 5.164 0.000) 5.883 7.554 ( -2.724 -4.054 0.000) 4.884 7.596 ( -4.520 1.709 0.000) 4.832 7.876 ( 7.228 -7.831 0.000) 10.657 8.011 ( 0.299 -6.736 0.000) 6.742 8.114 ( 1.573 -4.017 0.000) 4.314 8.158 ( -0.454 -3.081 0.000) 3.114 8.559 ( 9.621 -11.074 0.000) 14.670 8.873 ( -6.380 -10.191 0.000) 12.024 11.978 ( 8.980 4.975 0.000) 10.266 12.346 ( -6.648 -0.245 0.000) 6.653 12.728 ( -3.646 -13.669 0.000) 14.147 12.878 ( -8.187 -8.317 0.000) 11.670 13.766 ( 8.514 -5.928 0.000) 10.375 13.824 ( 7.954 -6.197 0.000) 10.083 14.079 ( 2.993 -7.180 0.000) 7.778 14.115 ( -6.025 -5.303 0.000) 8.026 14.181 ( -7.449 -4.134 0.000) 8.519 14.209 ( -5.098 -2.609 0.000) 5.727 14.460 ( 5.969 -2.498 0.000) 6.471 14.552 ( 7.358 -2.013 0.000) 7.629 14.684 ( -2.930 -0.890 0.000) 3.063 14.817 ( -4.410 5.004 0.000) 6.670 14.877 ( 0.575 -6.504 0.000) 6.530 14.929 ( -0.078 -1.770 0.000) 1.772 15.025 ( 6.446 -5.223 0.000) 8.297 15.038 ( 7.742 8.163 0.000) 11.250 15.204 ( 5.614 -8.271 0.000) 9.996 15.317 ( 3.890 -4.125 0.000) 5.670 15.320 ( 4.549 -0.677 0.000) 4.599 15.443 ( 1.268 2.962 0.000) 3.222 15.604 ( 3.485 -6.715 0.000) 7.565 15.742 ( -2.540 -5.922 0.000) 6.444 15.857 ( -1.719 -2.633 0.000) 3.144 15.881 ( 1.576 0.251 0.000) 1.596 15.941 ( 0.732 -5.087 0.000) 5.140 16.026 ( -2.010 -1.281 0.000) 2.383 16.164 ( -0.780 -0.107 0.000) 0.787 16.300 ( -10.660 -1.306 0.000) 10.740 16.352 ( -0.647 -2.561 0.000) 2.641 16.432 ( -1.053 -4.340 0.000) 4.466 16.552 ( -2.399 -3.312 0.000) 4.090 16.580 ( -2.699 3.497 0.000) 4.418 16.797 ( 3.684 6.334 0.000) 7.328 16.869 ( -0.236 7.280 0.000) 7.284 18.050 ( 1.118 4.433 0.000) 4.571 18.100 ( -1.357 4.746 0.000) 4.936 18.316 ( 5.843 6.917 0.000) 9.055 18.725 ( -16.245 5.989 0.000) 17.314 19.046 ( 0.121 -3.010 0.000) 3.012 19.053 ( -0.181 -3.332 0.000) 3.337 19.126 ( 1.500 -2.913 0.000) 3.277 19.203 ( -2.155 -3.935 0.000) 4.487 ======================= Grid point 17 (12/108) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -19.797 26.938 0.000) 33.430 2.234 ( 19.797 26.938 0.000) 33.430 2.474 ( -26.195 25.741 0.000) 36.726 2.474 ( 26.195 25.741 0.000) 36.726 3.638 ( -1.751 12.949 0.000) 13.067 3.638 ( 1.751 12.949 0.000) 13.067 3.971 ( -2.006 16.747 0.000) 16.866 3.971 ( 2.006 16.747 0.000) 16.866 4.116 ( -9.206 22.279 0.000) 24.106 4.116 ( 9.206 22.279 0.000) 24.106 4.184 ( -8.673 34.516 0.000) 35.588 4.184 ( 8.673 34.516 0.000) 35.588 4.673 ( -4.682 5.561 0.000) 7.270 4.673 ( 4.682 5.561 0.000) 7.270 5.120 ( -1.981 11.001 0.000) 11.178 5.120 ( 1.981 11.001 0.000) 11.178 5.667 ( -4.656 26.800 0.000) 27.202 5.667 ( 4.656 26.800 0.000) 27.202 5.792 ( -13.357 6.213 0.000) 14.731 5.792 ( 13.357 6.213 0.000) 14.731 5.952 ( -6.253 11.495 0.000) 13.085 5.952 ( 6.253 11.495 0.000) 13.085 6.170 ( -0.752 18.481 0.000) 18.496 6.170 ( 0.752 18.481 0.000) 18.496 6.240 ( -6.905 13.689 0.000) 15.332 6.240 ( 6.905 13.689 0.000) 15.332 6.822 ( -6.730 14.016 0.000) 15.548 6.822 ( 6.730 14.016 0.000) 15.548 7.013 ( -8.932 20.147 0.000) 22.038 7.013 ( 8.932 20.147 0.000) 22.038 7.360 ( -2.426 4.529 0.000) 5.137 7.360 ( 2.426 4.529 0.000) 5.137 7.533 ( -1.594 0.292 0.000) 1.620 7.533 ( 1.594 0.292 0.000) 1.620 7.982 ( -3.662 -8.004 0.000) 8.802 7.982 ( 3.662 -8.004 0.000) 8.802 8.140 ( -1.253 -4.428 0.000) 4.602 8.140 ( 1.253 -4.428 0.000) 4.602 8.733 ( -8.589 -11.421 0.000) 14.290 8.733 ( 8.589 -11.421 0.000) 14.290 12.169 ( -10.913 2.463 0.000) 11.188 12.169 ( 10.913 2.463 0.000) 11.188 12.749 ( -4.904 -10.651 0.000) 11.726 12.749 ( 4.904 -10.651 0.000) 11.726 13.912 ( -4.172 -3.826 0.000) 5.661 13.912 ( 4.172 -3.826 0.000) 5.661 14.037 ( -3.783 -6.984 0.000) 7.943 14.037 ( 3.783 -6.984 0.000) 7.943 14.139 ( -2.649 -2.297 0.000) 3.506 14.139 ( 2.649 -2.297 0.000) 3.506 14.563 ( -4.548 2.598 0.000) 5.237 14.563 ( 4.548 2.598 0.000) 5.237 14.725 ( -5.454 -6.162 0.000) 8.229 14.725 ( 5.454 -6.162 0.000) 8.229 14.896 ( -1.777 -4.703 0.000) 5.027 14.896 ( 1.777 -4.703 0.000) 5.027 15.136 ( -1.632 1.980 0.000) 2.566 15.136 ( 1.632 1.980 0.000) 2.566 15.302 ( -5.504 -4.892 0.000) 7.364 15.302 ( 5.504 -4.892 0.000) 7.364 15.389 ( -3.936 -1.824 0.000) 4.338 15.389 ( 3.936 -1.824 0.000) 4.338 15.678 ( -4.199 -7.976 0.000) 9.013 15.678 ( 4.199 -7.976 0.000) 9.013 15.889 ( -1.848 -1.602 0.000) 2.446 15.889 ( 1.848 -1.602 0.000) 2.446 15.981 ( -3.210 -6.575 0.000) 7.317 15.981 ( 3.210 -6.575 0.000) 7.317 16.149 ( -2.529 3.535 0.000) 4.347 16.149 ( 2.529 3.535 0.000) 4.347 16.394 ( -3.510 -5.989 0.000) 6.942 16.394 ( 3.510 -5.989 0.000) 6.942 16.538 ( -1.325 4.114 0.000) 4.322 16.538 ( 1.325 4.114 0.000) 4.322 16.849 ( -1.912 7.772 0.000) 8.003 16.849 ( 1.912 7.772 0.000) 8.003 18.074 ( -1.381 4.634 0.000) 4.835 18.074 ( 1.381 4.634 0.000) 4.835 18.470 ( -10.852 7.467 0.000) 13.173 18.470 ( 10.852 7.467 0.000) 13.173 19.049 ( -0.189 -3.156 0.000) 3.162 19.049 ( 0.189 -3.156 0.000) 3.162 19.161 ( -2.151 -3.486 0.000) 4.096 19.161 ( 2.151 -3.486 0.000) 4.096 ======================= Grid point 21 (13/108) ======================= q-point: ( 0.00 0.19 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 36.650 0.000) 36.650 2.395 ( 0.000 42.009 0.000) 42.009 3.556 ( 0.000 22.857 0.000) 22.857 3.626 ( 0.000 21.570 0.000) 21.570 3.654 ( 0.000 26.925 0.000) 26.925 4.043 ( 0.000 26.349 0.000) 26.349 4.072 ( 0.000 15.166 0.000) 15.166 4.262 ( 0.000 6.658 0.000) 6.658 4.372 ( 0.000 24.284 0.000) 24.284 4.389 ( 0.000 68.246 0.000) 68.246 4.596 ( 0.000 11.626 0.000) 11.626 4.916 ( 0.000 13.460 0.000) 13.460 4.958 ( 0.000 14.133 0.000) 14.133 5.241 ( 0.000 18.571 0.000) 18.571 5.303 ( 0.000 23.747 0.000) 23.747 5.614 ( 0.000 19.936 0.000) 19.936 5.660 ( 0.000 4.320 0.000) 4.320 5.829 ( 0.000 14.325 0.000) 14.325 5.849 ( 0.000 8.926 0.000) 8.926 6.157 ( 0.000 11.777 0.000) 11.777 6.311 ( 0.000 27.884 0.000) 27.884 6.322 ( 0.000 5.627 0.000) 5.627 6.738 ( 0.000 23.698 0.000) 23.698 6.831 ( 0.000 26.114 0.000) 26.114 6.836 ( 0.000 31.408 0.000) 31.408 6.892 ( 0.000 19.916 0.000) 19.916 7.041 ( 0.000 18.039 0.000) 18.039 7.055 ( 0.000 6.550 0.000) 6.550 7.150 ( 0.000 29.936 0.000) 29.936 7.326 ( 0.000 3.141 0.000) 3.141 7.489 ( 0.000 -2.130 0.000) 2.130 7.605 ( 0.000 -3.506 0.000) 3.506 7.658 ( 0.000 10.165 0.000) 10.165 7.697 ( 0.000 1.937 0.000) 1.937 7.789 ( 0.000 21.640 0.000) 21.640 7.935 ( 0.000 -0.930 0.000) 0.930 8.050 ( 0.000 -8.295 0.000) 8.295 8.077 ( 0.000 6.603 0.000) 6.603 8.331 ( 0.000 3.882 0.000) 3.882 8.809 ( 0.000 -10.093 0.000) 10.093 11.977 ( 0.000 9.225 0.000) 9.225 12.307 ( 0.000 -5.271 0.000) 5.271 12.606 ( 0.000 -17.596 0.000) 17.596 12.942 ( 0.000 -10.489 0.000) 10.489 13.400 ( 0.000 -8.182 0.000) 8.182 13.489 ( 0.000 -6.811 0.000) 6.811 13.745 ( 0.000 -6.607 0.000) 6.607 13.884 ( 0.000 -11.167 0.000) 11.167 14.158 ( 0.000 -9.421 0.000) 9.421 14.254 ( 0.000 -7.808 0.000) 7.808 14.380 ( 0.000 0.966 0.000) 0.966 14.501 ( 0.000 5.299 0.000) 5.299 14.742 ( 0.000 0.582 0.000) 0.582 14.789 ( 0.000 -2.496 0.000) 2.496 14.836 ( 0.000 -0.824 0.000) 0.824 14.918 ( 0.000 -4.227 0.000) 4.227 15.032 ( 0.000 4.405 0.000) 4.405 15.043 ( 0.000 -3.850 0.000) 3.850 15.107 ( 0.000 6.678 0.000) 6.678 15.151 ( 0.000 -0.592 0.000) 0.592 15.183 ( 0.000 7.334 0.000) 7.334 15.424 ( 0.000 5.027 0.000) 5.027 15.438 ( 0.000 -4.429 0.000) 4.429 15.661 ( 0.000 -8.247 0.000) 8.247 15.858 ( 0.000 -2.670 0.000) 2.670 15.881 ( 0.000 0.717 0.000) 0.717 15.959 ( 0.000 0.991 0.000) 0.991 16.152 ( 0.000 5.053 0.000) 5.053 16.175 ( 0.000 -2.783 0.000) 2.783 16.226 ( 0.000 -14.501 0.000) 14.501 16.314 ( 0.000 -6.516 0.000) 6.516 16.416 ( 0.000 -7.752 0.000) 7.752 16.555 ( 0.000 1.373 0.000) 1.373 16.697 ( 0.000 0.237 0.000) 0.237 16.718 ( 0.000 3.529 0.000) 3.529 16.942 ( 0.000 3.115 0.000) 3.115 18.090 ( 0.000 1.606 0.000) 1.606 18.179 ( 0.000 0.030 0.000) 0.030 18.307 ( 0.000 1.959 0.000) 1.959 18.958 ( 0.000 -9.251 0.000) 9.251 18.969 ( 0.000 -5.119 0.000) 5.119 18.970 ( 0.000 -4.354 0.000) 4.354 19.093 ( 0.000 -6.270 0.000) 6.270 19.141 ( 0.000 -6.538 0.000) 6.538 ======================= Grid point 22 (14/108) ======================= q-point: ( 0.17 0.19 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 15.834 33.963 0.000) 37.473 2.455 ( 6.297 41.200 0.000) 41.678 3.477 ( -14.448 27.861 0.000) 31.384 3.627 ( 5.859 24.186 0.000) 24.886 3.706 ( 6.260 20.807 0.000) 21.728 3.895 ( -13.716 21.183 0.000) 25.236 4.097 ( 2.862 14.166 0.000) 14.452 4.245 ( -1.027 10.071 0.000) 10.124 4.385 ( 1.967 24.940 0.000) 25.018 4.475 ( 8.827 65.461 0.000) 66.053 4.747 ( 11.000 13.443 0.000) 17.370 4.930 ( -1.106 14.702 0.000) 14.743 4.953 ( 2.137 11.247 0.000) 11.448 5.279 ( 2.336 21.372 0.000) 21.499 5.288 ( -2.218 22.065 0.000) 22.176 5.549 ( -7.111 23.469 0.000) 24.522 5.570 ( -5.302 5.310 0.000) 7.504 5.826 ( 2.480 8.064 0.000) 8.437 5.912 ( 4.556 7.713 0.000) 8.958 6.212 ( 4.094 14.003 0.000) 14.589 6.299 ( -1.143 26.316 0.000) 26.341 6.302 ( -2.135 4.301 0.000) 4.801 6.729 ( -0.992 26.718 0.000) 26.736 6.765 ( -13.242 23.599 0.000) 27.060 6.823 ( -2.771 24.634 0.000) 24.789 6.842 ( -0.350 29.924 0.000) 29.926 6.952 ( -0.393 24.288 0.000) 24.291 7.102 ( 4.400 8.375 0.000) 9.460 7.280 ( 7.414 23.760 0.000) 24.890 7.312 ( -1.019 -0.582 0.000) 1.174 7.487 ( 0.562 -1.449 0.000) 1.554 7.646 ( -1.574 11.290 0.000) 11.399 7.657 ( 3.778 -4.470 0.000) 5.853 7.692 ( -0.543 3.857 0.000) 3.895 7.744 ( -3.648 24.691 0.000) 24.960 7.908 ( -2.131 -3.150 0.000) 3.803 8.087 ( 0.557 5.697 0.000) 5.724 8.095 ( 4.187 -6.482 0.000) 7.717 8.315 ( -1.264 1.327 0.000) 1.833 8.767 ( -4.431 -10.498 0.000) 11.395 12.003 ( 2.778 7.920 0.000) 8.393 12.327 ( 2.184 -4.352 0.000) 4.869 12.542 ( -6.294 -15.590 0.000) 16.813 12.863 ( -7.501 -9.523 0.000) 12.122 13.476 ( 7.735 -7.245 0.000) 10.598 13.548 ( 6.005 -6.805 0.000) 9.076 13.822 ( 6.842 -7.226 0.000) 9.951 13.927 ( 3.911 -11.672 0.000) 12.310 14.132 ( -3.011 -10.066 0.000) 10.507 14.214 ( -3.855 -6.376 0.000) 7.451 14.391 ( 1.731 0.612 0.000) 1.836 14.467 ( -2.790 4.800 0.000) 5.552 14.760 ( -3.263 -3.792 0.000) 5.003 14.804 ( 5.566 -1.560 0.000) 5.781 14.849 ( 0.808 2.067 0.000) 2.219 14.911 ( -1.434 -3.753 0.000) 4.018 15.010 ( -0.476 -1.315 0.000) 1.399 15.022 ( -2.905 -1.062 0.000) 3.093 15.119 ( 2.097 7.623 0.000) 7.906 15.155 ( -0.645 1.648 0.000) 1.770 15.218 ( 5.070 -0.177 0.000) 5.073 15.447 ( 1.036 -2.345 0.000) 2.563 15.475 ( 4.348 2.625 0.000) 5.079 15.643 ( -2.024 -8.878 0.000) 9.106 15.853 ( -1.825 -4.298 0.000) 4.669 15.880 ( -0.109 0.349 0.000) 0.366 15.916 ( -4.142 0.204 0.000) 4.147 16.097 ( -6.030 0.196 0.000) 6.033 16.141 ( -0.520 -1.808 0.000) 1.881 16.212 ( -0.570 -11.240 0.000) 11.255 16.323 ( -0.495 -3.938 0.000) 3.969 16.424 ( -0.302 -4.697 0.000) 4.707 16.552 ( 0.404 2.499 0.000) 2.532 16.683 ( -0.824 2.060 0.000) 2.219 16.782 ( 5.438 2.187 0.000) 5.861 16.958 ( 1.417 3.060 0.000) 3.372 18.096 ( 0.619 1.524 0.000) 1.645 18.173 ( -0.666 0.187 0.000) 0.692 18.328 ( 2.355 1.818 0.000) 2.975 18.908 ( -6.365 -9.010 0.000) 11.032 18.969 ( 0.007 -5.065 0.000) 5.065 18.970 ( -0.013 -4.431 0.000) 4.431 19.061 ( -1.768 -4.027 0.000) 4.398 19.130 ( -1.075 -6.362 0.000) 6.452 ======================= Grid point 23 (15/108) ======================= q-point: ( 0.33 0.19 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 23.701 29.366 0.000) 37.737 2.621 ( 11.257 38.729 0.000) 40.332 3.176 ( -16.612 31.352 0.000) 35.481 3.460 ( -22.200 26.235 0.000) 34.368 3.849 ( 7.859 18.567 0.000) 20.162 3.866 ( 8.438 18.076 0.000) 19.949 4.170 ( 4.229 12.524 0.000) 13.218 4.218 ( -1.597 10.188 0.000) 10.312 4.474 ( 7.875 25.984 0.000) 27.151 4.665 ( 7.555 46.866 0.000) 47.471 4.828 ( 4.268 33.442 0.000) 33.713 4.929 ( -5.649 11.049 0.000) 12.410 4.932 ( -5.771 12.433 0.000) 13.707 5.257 ( -5.458 27.010 0.000) 27.556 5.286 ( 4.596 12.863 0.000) 13.660 5.413 ( -5.786 23.072 0.000) 23.787 5.588 ( 9.056 8.276 0.000) 12.268 5.927 ( 6.286 5.260 0.000) 8.196 5.988 ( 3.285 7.008 0.000) 7.739 6.214 ( -10.092 0.680 0.000) 10.115 6.259 ( 0.474 16.763 0.000) 16.770 6.276 ( -1.093 23.545 0.000) 23.571 6.529 ( -5.977 26.135 0.000) 26.809 6.705 ( -1.736 28.293 0.000) 28.346 6.768 ( -3.069 29.680 0.000) 29.838 6.779 ( -6.377 25.334 0.000) 26.124 6.998 ( 4.627 21.963 0.000) 22.445 7.154 ( -0.145 11.656 0.000) 11.657 7.355 ( 6.225 3.224 0.000) 7.010 7.395 ( 4.825 19.241 0.000) 19.837 7.493 ( -0.158 0.583 0.000) 0.604 7.590 ( -4.318 14.242 0.000) 14.882 7.619 ( -4.786 16.194 0.000) 16.886 7.663 ( -3.059 6.488 0.000) 7.173 7.792 ( 6.413 6.198 0.000) 8.919 7.889 ( 0.497 -4.011 0.000) 4.041 8.084 ( -0.847 2.931 0.000) 3.050 8.137 ( -1.505 0.864 0.000) 1.736 8.343 ( 5.915 -9.214 0.000) 10.949 8.652 ( -7.620 -11.395 0.000) 13.708 12.082 ( 5.765 4.574 0.000) 7.359 12.356 ( -4.013 0.824 0.000) 4.097 12.433 ( 0.363 -14.808 0.000) 14.813 12.700 ( -9.230 -8.474 0.000) 12.530 13.662 ( 11.292 -4.959 0.000) 12.333 13.691 ( 8.617 -7.051 0.000) 11.134 13.937 ( 3.453 -6.598 0.000) 7.446 13.978 ( -0.335 -8.390 0.000) 8.397 14.053 ( -3.958 -8.920 0.000) 9.759 14.134 ( -4.018 -4.728 0.000) 6.205 14.433 ( 0.212 0.335 0.000) 0.397 14.463 ( 5.645 -3.451 0.000) 6.616 14.663 ( -6.354 -4.092 0.000) 7.558 14.806 ( -7.320 -7.087 0.000) 10.189 14.859 ( 0.656 3.842 0.000) 3.898 14.932 ( -0.845 2.215 0.000) 2.370 14.961 ( 3.840 -0.739 0.000) 3.910 15.045 ( 3.263 -7.013 0.000) 7.735 15.192 ( 5.578 6.306 0.000) 8.419 15.205 ( 4.528 -5.968 0.000) 7.491 15.292 ( 2.241 -2.019 0.000) 3.016 15.444 ( -1.340 -4.544 0.000) 4.737 15.544 ( -0.389 2.208 0.000) 2.242 15.587 ( -3.701 -8.771 0.000) 9.520 15.762 ( -2.065 -4.994 0.000) 5.404 15.872 ( -1.280 -1.827 0.000) 2.231 15.900 ( 0.836 -0.196 0.000) 0.859 15.977 ( -5.265 -1.901 0.000) 5.597 16.161 ( 1.097 -0.426 0.000) 1.177 16.191 ( -1.887 -6.770 0.000) 7.028 16.298 ( -0.935 -2.326 0.000) 2.507 16.384 ( -3.404 -1.320 0.000) 3.651 16.585 ( 2.759 3.931 0.000) 4.802 16.665 ( -1.174 3.743 0.000) 3.923 16.888 ( 5.186 2.447 0.000) 5.734 16.978 ( 0.355 3.147 0.000) 3.167 18.112 ( 1.057 1.299 0.000) 1.675 18.156 ( -1.109 0.561 0.000) 1.243 18.400 ( 5.517 1.194 0.000) 5.645 18.732 ( -11.008 -4.286 0.000) 11.813 18.970 ( 0.007 -4.922 0.000) 4.922 18.970 ( -0.015 -4.557 0.000) 4.557 19.054 ( 0.596 -4.323 0.000) 4.363 19.104 ( -1.621 -5.878 0.000) 6.097 ======================= Grid point 24 (16/108) ======================= q-point: (-0.50 0.19 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -10.912 33.799 0.000) 35.517 2.856 ( 10.912 33.799 0.000) 35.517 3.016 ( -21.501 28.022 0.000) 35.321 3.016 ( 21.501 28.022 0.000) 35.321 3.949 ( -1.348 18.054 0.000) 18.104 3.949 ( 1.348 18.054 0.000) 18.104 4.210 ( -0.200 11.502 0.000) 11.503 4.210 ( 0.200 11.502 0.000) 11.503 4.660 ( -9.656 26.985 0.000) 28.660 4.660 ( 9.656 26.985 0.000) 28.660 4.801 ( -3.687 14.673 0.000) 15.129 4.801 ( 3.687 14.673 0.000) 15.129 5.067 ( -13.931 40.348 0.000) 42.685 5.067 ( 13.931 40.348 0.000) 42.685 5.350 ( -2.022 12.970 0.000) 13.127 5.350 ( 2.022 12.970 0.000) 13.127 5.877 ( -17.603 5.887 0.000) 18.561 5.877 ( 17.603 5.887 0.000) 18.561 6.026 ( -1.192 6.662 0.000) 6.767 6.026 ( 1.192 6.662 0.000) 6.767 6.261 ( -0.457 20.308 0.000) 20.313 6.261 ( 0.457 20.308 0.000) 20.313 6.588 ( -8.618 21.153 0.000) 22.841 6.588 ( 8.618 21.153 0.000) 22.841 6.728 ( -0.877 30.261 0.000) 30.273 6.728 ( 0.877 30.261 0.000) 30.273 7.099 ( -5.210 16.735 0.000) 17.527 7.099 ( 5.210 16.735 0.000) 17.527 7.458 ( -0.434 12.425 0.000) 12.433 7.458 ( 0.434 12.425 0.000) 12.433 7.498 ( -4.047 12.341 0.000) 12.987 7.498 ( 4.047 12.341 0.000) 12.987 7.593 ( -2.830 8.513 0.000) 8.971 7.593 ( 2.830 8.513 0.000) 8.971 7.888 ( -2.502 3.008 0.000) 3.913 7.888 ( 2.502 3.008 0.000) 3.913 8.085 ( -2.037 0.064 0.000) 2.038 8.085 ( 2.037 0.064 0.000) 2.038 8.494 ( -8.931 -11.921 0.000) 14.896 8.494 ( 8.931 -11.921 0.000) 14.896 12.214 ( -8.079 0.419 0.000) 8.090 12.214 ( 8.079 0.419 0.000) 8.090 12.538 ( -7.826 -8.664 0.000) 11.676 12.538 ( 7.826 -8.664 0.000) 11.676 13.827 ( -0.848 -5.980 0.000) 6.040 13.827 ( 0.848 -5.980 0.000) 6.040 13.903 ( -2.116 -5.365 0.000) 5.768 13.903 ( 2.116 -5.365 0.000) 5.768 14.070 ( -3.290 -4.999 0.000) 5.984 14.070 ( 3.290 -4.999 0.000) 5.984 14.491 ( -4.703 -5.467 0.000) 7.212 14.491 ( 4.703 -5.467 0.000) 7.212 14.650 ( -7.484 -4.970 0.000) 8.983 14.650 ( 7.484 -4.970 0.000) 8.983 14.883 ( -2.025 3.125 0.000) 3.724 14.883 ( 2.025 3.125 0.000) 3.724 15.062 ( -2.927 -6.337 0.000) 6.980 15.062 ( 2.927 -6.337 0.000) 6.980 15.265 ( -0.771 -3.402 0.000) 3.488 15.265 ( 0.771 -3.402 0.000) 3.488 15.357 ( -7.334 -0.405 0.000) 7.346 15.357 ( 7.334 -0.405 0.000) 7.346 15.522 ( -2.127 -5.628 0.000) 6.016 15.522 ( 2.127 -5.628 0.000) 6.016 15.817 ( -4.324 -4.132 0.000) 5.981 15.817 ( 4.324 -4.132 0.000) 5.981 15.921 ( -1.547 -0.387 0.000) 1.595 15.921 ( 1.547 -0.387 0.000) 1.595 16.164 ( -0.310 -1.378 0.000) 1.412 16.164 ( 0.310 -1.378 0.000) 1.412 16.321 ( -2.936 -1.879 0.000) 3.485 16.321 ( 2.936 -1.879 0.000) 3.485 16.635 ( -2.209 4.625 0.000) 5.126 16.635 ( 2.209 4.625 0.000) 5.126 16.960 ( -2.418 3.028 0.000) 3.875 16.960 ( 2.418 3.028 0.000) 3.875 18.133 ( -1.233 0.967 0.000) 1.567 18.133 ( 1.233 0.967 0.000) 1.567 18.538 ( -9.207 -0.544 0.000) 9.223 18.538 ( 9.207 -0.544 0.000) 9.223 18.970 ( -0.008 -4.735 0.000) 4.735 18.970 ( 0.008 -4.735 0.000) 4.735 19.074 ( -1.462 -5.180 0.000) 5.382 19.074 ( 1.462 -5.180 0.000) 5.382 ======================= Grid point 28 (17/108) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.000 35.043 0.000) 35.043 3.233 ( 0.000 41.025 0.000) 41.025 4.062 ( 0.000 20.658 0.000) 20.658 4.087 ( 0.000 29.338 0.000) 29.338 4.225 ( 0.000 28.228 0.000) 28.228 4.416 ( 0.000 8.079 0.000) 8.079 4.473 ( 0.000 25.148 0.000) 25.148 4.507 ( 0.000 15.896 0.000) 15.896 4.805 ( 0.000 12.243 0.000) 12.243 4.823 ( 0.000 23.727 0.000) 23.727 5.226 ( 0.000 12.774 0.000) 12.774 5.243 ( 0.000 19.011 0.000) 19.011 5.580 ( 0.000 15.924 0.000) 15.924 5.690 ( 0.000 25.205 0.000) 25.205 5.749 ( 0.000 4.743 0.000) 4.743 5.766 ( 0.000 52.258 0.000) 52.258 5.903 ( 0.000 7.282 0.000) 7.282 6.020 ( 0.000 4.128 0.000) 4.128 6.101 ( 0.000 16.905 0.000) 16.905 6.418 ( 0.000 5.049 0.000) 5.049 6.552 ( 0.000 25.531 0.000) 25.531 6.736 ( 0.000 11.131 0.000) 11.131 6.964 ( 0.000 2.518 0.000) 2.518 7.275 ( 0.000 14.383 0.000) 14.383 7.316 ( 0.000 20.919 0.000) 20.919 7.323 ( 0.000 -0.188 0.000) 0.188 7.345 ( 0.000 13.365 0.000) 13.365 7.386 ( 0.000 16.421 0.000) 16.421 7.412 ( 0.000 20.954 0.000) 20.954 7.549 ( 0.000 1.491 0.000) 1.491 7.653 ( 0.000 27.160 0.000) 27.160 7.688 ( 0.000 13.513 0.000) 13.513 7.842 ( 0.000 -10.147 0.000) 10.147 7.897 ( 0.000 24.759 0.000) 24.759 7.922 ( 0.000 21.428 0.000) 21.428 7.967 ( 0.000 5.697 0.000) 5.697 8.362 ( 0.000 32.014 0.000) 32.014 8.420 ( 0.000 25.664 0.000) 25.664 8.509 ( 0.000 13.008 0.000) 13.008 8.607 ( 0.000 -9.429 0.000) 9.429 12.156 ( 0.000 8.158 0.000) 8.158 12.205 ( 0.000 -5.023 0.000) 5.023 12.269 ( 0.000 -15.657 0.000) 15.657 12.711 ( 0.000 -12.311 0.000) 12.311 13.239 ( 0.000 -7.450 0.000) 7.450 13.376 ( 0.000 -4.212 0.000) 4.212 13.623 ( 0.000 -5.354 0.000) 5.354 13.684 ( 0.000 -8.088 0.000) 8.088 14.012 ( 0.000 -4.980 0.000) 4.980 14.083 ( 0.000 -8.519 0.000) 8.519 14.384 ( 0.000 -1.211 0.000) 1.211 14.593 ( 0.000 2.382 0.000) 2.382 14.733 ( 0.000 -3.267 0.000) 3.267 14.789 ( 0.000 3.702 0.000) 3.702 14.795 ( 0.000 -2.131 0.000) 2.131 14.818 ( 0.000 -4.438 0.000) 4.438 14.956 ( 0.000 -5.004 0.000) 5.004 15.120 ( 0.000 2.934 0.000) 2.934 15.140 ( 0.000 -0.920 0.000) 0.920 15.249 ( 0.000 7.378 0.000) 7.378 15.277 ( 0.000 2.052 0.000) 2.052 15.372 ( 0.000 -1.491 0.000) 1.491 15.459 ( 0.000 -9.562 0.000) 9.562 15.520 ( 0.000 4.482 0.000) 4.482 15.791 ( 0.000 -4.214 0.000) 4.214 15.877 ( 0.000 -1.245 0.000) 1.245 15.986 ( 0.000 1.066 0.000) 1.066 15.991 ( 0.000 -9.427 0.000) 9.427 16.109 ( 0.000 -3.501 0.000) 3.501 16.202 ( 0.000 -4.571 0.000) 4.571 16.229 ( 0.000 2.635 0.000) 2.635 16.266 ( 0.000 -6.753 0.000) 6.753 16.580 ( 0.000 0.597 0.000) 0.597 16.669 ( 0.000 -3.117 0.000) 3.117 16.758 ( 0.000 0.168 0.000) 0.168 16.953 ( 0.000 -2.107 0.000) 2.107 18.081 ( 0.000 -2.558 0.000) 2.558 18.132 ( 0.000 -4.651 0.000) 4.651 18.293 ( 0.000 -3.304 0.000) 3.304 18.719 ( 0.000 -13.914 0.000) 13.914 18.854 ( 0.000 -6.258 0.000) 6.258 18.870 ( 0.000 -5.501 0.000) 5.501 18.978 ( 0.000 -5.632 0.000) 5.632 18.990 ( 0.000 -8.302 0.000) 8.302 ======================= Grid point 29 (18/108) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 11.498 33.067 0.000) 35.009 3.284 ( 5.293 40.867 0.000) 41.209 4.073 ( -5.898 28.294 0.000) 28.902 4.130 ( -1.319 22.354 0.000) 22.393 4.152 ( 5.900 26.108 0.000) 26.767 4.261 ( -13.564 15.510 0.000) 20.604 4.461 ( 0.621 21.960 0.000) 21.968 4.496 ( -2.014 13.643 0.000) 13.790 4.842 ( 2.026 21.017 0.000) 21.114 4.964 ( 12.287 11.870 0.000) 17.084 5.226 ( 0.056 14.467 0.000) 14.467 5.250 ( 0.961 18.942 0.000) 18.966 5.599 ( -6.998 17.328 0.000) 18.688 5.666 ( 5.448 17.805 0.000) 18.620 5.705 ( -3.346 17.492 0.000) 17.809 5.863 ( 6.907 48.135 0.000) 48.628 5.911 ( 1.022 4.170 0.000) 4.294 5.936 ( -6.188 7.578 0.000) 9.784 6.101 ( 0.955 12.052 0.000) 12.089 6.362 ( -3.935 5.170 0.000) 6.497 6.617 ( 4.176 23.558 0.000) 23.925 6.703 ( -2.311 13.206 0.000) 13.407 7.064 ( 7.750 3.068 0.000) 8.335 7.185 ( -8.698 18.639 0.000) 20.569 7.263 ( -5.362 -1.597 0.000) 5.595 7.336 ( -0.395 11.880 0.000) 11.887 7.351 ( 2.738 24.146 0.000) 24.301 7.366 ( -1.254 18.194 0.000) 18.237 7.430 ( 1.287 24.426 0.000) 24.460 7.575 ( 3.311 -1.901 0.000) 3.818 7.675 ( -1.752 7.312 0.000) 7.519 7.704 ( 4.615 26.413 0.000) 26.813 7.885 ( -2.114 21.810 0.000) 21.912 7.906 ( 6.239 -9.258 0.000) 11.164 7.942 ( 2.450 19.602 0.000) 19.755 7.965 ( 0.393 12.574 0.000) 12.581 8.332 ( -2.778 31.140 0.000) 31.264 8.396 ( -2.537 23.448 0.000) 23.585 8.478 ( -3.373 13.982 0.000) 14.383 8.565 ( -4.351 -7.879 0.000) 9.000 12.139 ( -1.497 4.851 0.000) 5.077 12.164 ( -2.705 -12.882 0.000) 13.163 12.321 ( 3.895 -5.350 0.000) 6.618 12.674 ( -3.723 -8.706 0.000) 9.469 13.330 ( 9.199 -6.970 0.000) 11.541 13.430 ( 5.338 -4.660 0.000) 7.086 13.686 ( 6.322 -6.243 0.000) 8.885 13.713 ( 3.195 -9.065 0.000) 9.612 13.968 ( -4.482 -5.734 0.000) 7.278 14.070 ( -1.354 -7.478 0.000) 7.599 14.382 ( -0.054 -2.307 0.000) 2.307 14.547 ( -4.686 1.717 0.000) 4.991 14.695 ( -4.117 -3.009 0.000) 5.099 14.767 ( -2.862 -3.020 0.000) 4.160 14.825 ( 2.870 -2.529 0.000) 3.825 14.859 ( 3.448 -0.196 0.000) 3.454 14.941 ( -0.723 -4.358 0.000) 4.417 15.036 ( -4.704 1.727 0.000) 5.011 15.197 ( 2.691 -0.008 0.000) 2.691 15.216 ( -4.851 2.465 0.000) 5.442 15.261 ( 0.374 3.185 0.000) 3.207 15.372 ( -0.731 -2.921 0.000) 3.011 15.460 ( 0.457 -6.121 0.000) 6.138 15.561 ( 3.799 3.994 0.000) 5.512 15.761 ( -3.964 -4.800 0.000) 6.225 15.864 ( -1.438 -1.961 0.000) 2.431 15.930 ( -4.026 1.105 0.000) 4.175 15.992 ( -0.493 -7.717 0.000) 7.733 16.089 ( 1.265 -3.919 0.000) 4.118 16.117 ( -5.504 -1.183 0.000) 5.629 16.265 ( 2.401 -1.715 0.000) 2.951 16.348 ( 2.895 -2.823 0.000) 4.044 16.597 ( 1.934 1.273 0.000) 2.315 16.680 ( 1.160 -2.446 0.000) 2.707 16.800 ( 4.229 -0.605 0.000) 4.272 16.968 ( 1.305 -2.196 0.000) 2.555 18.084 ( 0.351 -2.718 0.000) 2.741 18.128 ( -0.346 -4.511 0.000) 4.525 18.310 ( 1.836 -3.585 0.000) 4.028 18.683 ( -3.877 -13.036 0.000) 13.600 18.855 ( 0.105 -6.221 0.000) 6.222 18.869 ( -0.139 -5.574 0.000) 5.576 18.967 ( -0.929 -5.305 0.000) 5.386 18.984 ( -0.632 -8.056 0.000) 8.080 ======================= Grid point 30 (19/108) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 18.772 28.511 0.000) 34.136 3.418 ( 8.603 39.839 0.000) 40.757 3.854 ( -12.706 35.347 0.000) 37.562 3.917 ( -20.050 18.345 0.000) 27.176 4.218 ( 6.345 16.893 0.000) 18.045 4.325 ( 8.757 27.434 0.000) 28.798 4.441 ( -3.065 11.420 0.000) 11.825 4.492 ( 1.817 19.767 0.000) 19.850 4.899 ( 4.320 16.376 0.000) 16.936 5.138 ( 5.575 12.142 0.000) 13.361 5.188 ( -6.501 15.770 0.000) 17.057 5.269 ( 0.222 22.315 0.000) 22.316 5.557 ( 5.453 11.935 0.000) 13.122 5.615 ( -5.076 21.947 0.000) 22.527 5.616 ( -7.678 12.694 0.000) 14.835 5.868 ( -3.941 12.876 0.000) 13.466 6.001 ( 7.659 3.250 0.000) 8.320 6.003 ( 6.856 31.384 0.000) 32.124 6.157 ( 5.025 18.705 0.000) 19.368 6.297 ( -2.754 9.109 0.000) 9.516 6.665 ( 0.751 23.272 0.000) 23.284 6.667 ( -1.504 16.481 0.000) 16.550 7.005 ( -8.742 21.997 0.000) 23.670 7.048 ( -8.090 6.447 0.000) 10.345 7.299 ( 7.059 -4.960 0.000) 8.627 7.324 ( -0.562 15.847 0.000) 15.857 7.341 ( 0.001 28.139 0.000) 28.139 7.406 ( 2.388 23.010 0.000) 23.134 7.479 ( 3.369 18.040 0.000) 18.352 7.621 ( -3.820 0.352 0.000) 3.836 7.634 ( 2.653 -0.599 0.000) 2.720 7.811 ( -5.479 15.660 0.000) 16.591 7.813 ( 6.525 27.266 0.000) 28.036 7.956 ( -0.671 21.602 0.000) 21.613 8.043 ( 6.822 17.150 0.000) 18.457 8.048 ( 8.278 -8.217 0.000) 11.664 8.285 ( -1.270 27.598 0.000) 27.627 8.331 ( -4.096 18.484 0.000) 18.932 8.384 ( -6.442 15.762 0.000) 17.027 8.453 ( -7.325 -2.981 0.000) 7.908 12.113 ( -1.021 -2.536 0.000) 2.734 12.123 ( -1.564 -14.560 0.000) 14.644 12.398 ( 4.393 1.835 0.000) 4.761 12.586 ( -5.312 -1.982 0.000) 5.670 13.546 ( 12.549 -6.607 0.000) 14.182 13.549 ( 6.926 -6.656 0.000) 9.605 13.795 ( 4.405 -9.071 0.000) 10.084 13.829 ( 7.536 -5.130 0.000) 9.116 13.861 ( -6.004 -8.169 0.000) 10.138 14.033 ( -2.723 -5.207 0.000) 5.876 14.392 ( 1.439 -4.978 0.000) 5.182 14.438 ( -5.827 -1.121 0.000) 5.934 14.580 ( -7.470 -3.643 0.000) 8.311 14.661 ( -7.926 -6.923 0.000) 10.524 14.889 ( 3.407 -2.300 0.000) 4.110 14.927 ( 3.083 -0.158 0.000) 3.087 14.944 ( 0.699 -2.709 0.000) 2.797 14.976 ( -1.466 0.751 0.000) 1.648 15.148 ( -1.503 0.328 0.000) 1.538 15.231 ( -2.783 -4.051 0.000) 4.915 15.253 ( 2.826 -0.856 0.000) 2.953 15.347 ( -1.708 -4.441 0.000) 4.758 15.479 ( 1.093 0.005 0.000) 1.093 15.589 ( -4.161 1.365 0.000) 4.380 15.698 ( 1.777 -1.280 0.000) 2.190 15.820 ( -3.027 -2.666 0.000) 4.034 15.901 ( 0.322 0.248 0.000) 0.406 15.954 ( -2.530 -1.458 0.000) 2.920 16.085 ( 1.413 -3.282 0.000) 3.573 16.134 ( 2.442 -2.664 0.000) 3.614 16.265 ( -1.327 -0.851 0.000) 1.577 16.348 ( -2.543 -2.378 0.000) 3.482 16.650 ( 3.235 1.796 0.000) 3.700 16.702 ( 0.793 -0.390 0.000) 0.884 16.893 ( 5.087 -1.791 0.000) 5.393 16.987 ( 0.346 -2.257 0.000) 2.283 18.094 ( 0.618 -3.127 0.000) 3.187 18.119 ( -0.613 -4.140 0.000) 4.185 18.364 ( 4.026 -4.635 0.000) 6.139 18.582 ( -6.490 -10.148 0.000) 12.045 18.858 ( 0.178 -6.116 0.000) 6.118 18.865 ( -0.208 -5.753 0.000) 5.757 18.954 ( -0.304 -5.543 0.000) 5.551 18.970 ( -0.843 -7.382 0.000) 7.430 ======================= Grid point 31 (20/108) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -16.105 25.514 0.000) 30.172 3.480 ( 16.105 25.514 0.000) 30.172 3.647 ( -5.880 36.188 0.000) 36.663 3.647 ( 5.880 36.188 0.000) 36.663 4.331 ( -5.265 17.022 0.000) 17.818 4.331 ( 5.265 17.022 0.000) 17.818 4.486 ( -3.599 18.311 0.000) 18.662 4.486 ( 3.599 18.311 0.000) 18.662 5.018 ( -8.752 13.792 0.000) 16.334 5.018 ( 8.752 13.792 0.000) 16.334 5.228 ( -4.286 21.358 0.000) 21.784 5.228 ( 4.286 21.358 0.000) 21.784 5.542 ( -0.825 14.514 0.000) 14.537 5.542 ( 0.825 14.514 0.000) 14.537 5.737 ( -9.787 12.382 0.000) 15.783 5.737 ( 9.787 12.382 0.000) 15.783 6.076 ( -0.487 6.948 0.000) 6.965 6.076 ( 0.487 6.948 0.000) 6.965 6.253 ( -3.475 24.541 0.000) 24.786 6.253 ( 3.475 24.541 0.000) 24.786 6.655 ( -0.592 21.550 0.000) 21.559 6.655 ( 0.592 21.550 0.000) 21.559 6.933 ( -2.048 14.002 0.000) 14.151 6.933 ( 2.048 14.002 0.000) 14.151 7.320 ( -0.131 18.363 0.000) 18.364 7.320 ( 0.131 18.363 0.000) 18.364 7.418 ( -2.114 16.270 0.000) 16.407 7.418 ( 2.114 16.270 0.000) 16.407 7.545 ( -3.935 3.661 0.000) 5.375 7.545 ( 3.935 3.661 0.000) 5.375 7.702 ( -5.267 9.102 0.000) 10.516 7.702 ( 5.267 9.102 0.000) 10.516 7.916 ( -3.902 27.043 0.000) 27.323 7.916 ( 3.902 27.043 0.000) 27.323 8.152 ( -0.923 3.961 0.000) 4.067 8.152 ( 0.923 3.961 0.000) 4.067 8.280 ( -1.451 16.240 0.000) 16.305 8.280 ( 1.451 16.240 0.000) 16.305 8.320 ( -5.515 11.475 0.000) 12.731 8.320 ( 5.515 11.475 0.000) 12.731 12.106 ( -0.274 -10.185 0.000) 10.189 12.106 ( 0.274 -10.185 0.000) 10.189 12.487 ( -5.113 2.660 0.000) 5.764 12.487 ( 5.113 2.660 0.000) 5.764 13.669 ( -3.938 -8.694 0.000) 9.545 13.669 ( 3.938 -8.694 0.000) 9.545 13.804 ( -3.272 -6.025 0.000) 6.856 13.804 ( 3.272 -6.025 0.000) 6.856 13.959 ( -5.372 -4.788 0.000) 7.196 13.959 ( 5.372 -4.788 0.000) 7.196 14.399 ( -1.833 -4.681 0.000) 5.027 14.399 ( 1.833 -4.681 0.000) 5.027 14.522 ( -4.632 -6.708 0.000) 8.152 14.522 ( 4.632 -6.708 0.000) 8.152 14.931 ( -1.150 -0.311 0.000) 1.192 14.931 ( 1.150 -0.311 0.000) 1.192 14.970 ( -0.346 -1.731 0.000) 1.765 14.970 ( 0.346 -1.731 0.000) 1.765 15.166 ( -3.012 -4.122 0.000) 5.105 15.166 ( 3.012 -4.122 0.000) 5.105 15.310 ( -2.544 -3.876 0.000) 4.636 15.310 ( 2.544 -3.876 0.000) 4.636 15.505 ( -2.752 2.321 0.000) 3.600 15.505 ( 2.752 2.321 0.000) 3.600 15.762 ( -3.361 -1.590 0.000) 3.719 15.762 ( 3.361 -1.590 0.000) 3.719 15.919 ( -1.372 -0.271 0.000) 1.399 15.919 ( 1.372 -0.271 0.000) 1.399 16.131 ( -2.635 -1.319 0.000) 2.947 16.131 ( 2.635 -1.319 0.000) 2.947 16.282 ( -3.461 -2.398 0.000) 4.211 16.282 ( 3.461 -2.398 0.000) 4.211 16.697 ( -1.483 1.233 0.000) 1.928 16.697 ( 1.483 1.233 0.000) 1.928 16.968 ( -2.580 -2.195 0.000) 3.387 16.968 ( 2.580 -2.195 0.000) 3.387 18.106 ( -0.718 -3.641 0.000) 3.712 18.106 ( 0.718 -3.641 0.000) 3.712 18.460 ( -6.129 -6.852 0.000) 9.193 18.460 ( 6.129 -6.852 0.000) 9.193 18.861 ( -0.212 -5.952 0.000) 5.956 18.861 ( 0.212 -5.952 0.000) 5.956 18.956 ( -0.492 -6.449 0.000) 6.468 18.956 ( 0.492 -6.449 0.000) 6.468 ======================= Grid point 35 (21/108) ======================= q-point: ( 0.00 0.31 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 0.000 29.691 0.000) 29.691 4.024 ( 0.000 37.429 0.000) 37.429 4.403 ( 0.000 12.414 0.000) 12.414 4.553 ( 0.000 6.917 0.000) 6.917 4.671 ( 0.000 2.894 0.000) 2.894 4.711 ( 0.000 29.967 0.000) 29.967 4.750 ( 0.000 24.322 0.000) 24.322 5.049 ( 0.000 29.812 0.000) 29.812 5.080 ( 0.000 14.715 0.000) 14.715 5.313 ( 0.000 21.749 0.000) 21.749 5.485 ( 0.000 13.663 0.000) 13.663 5.665 ( 0.000 22.299 0.000) 22.299 5.838 ( 0.000 8.788 0.000) 8.788 5.856 ( 0.000 6.364 0.000) 6.364 5.908 ( 0.000 7.031 0.000) 7.031 6.040 ( 0.000 -0.207 0.000) 0.207 6.048 ( 0.000 10.362 0.000) 10.362 6.458 ( 0.000 17.230 0.000) 17.230 6.524 ( 0.000 5.131 0.000) 5.131 6.730 ( 0.000 20.095 0.000) 20.095 6.759 ( 0.000 -4.893 0.000) 4.893 6.892 ( 0.000 5.379 0.000) 5.379 7.111 ( 0.000 21.297 0.000) 21.297 7.320 ( 0.000 0.199 0.000) 0.199 7.413 ( 0.000 -5.038 0.000) 5.038 7.482 ( 0.000 1.226 0.000) 1.226 7.519 ( 0.000 1.370 0.000) 1.370 7.613 ( 0.000 -3.129 0.000) 3.129 7.668 ( 0.000 26.484 0.000) 26.484 7.762 ( 0.000 20.666 0.000) 20.666 8.048 ( 0.000 23.904 0.000) 23.904 8.092 ( 0.000 31.378 0.000) 31.378 8.110 ( 0.000 1.617 0.000) 1.617 8.301 ( 0.000 32.812 0.000) 32.812 8.419 ( 0.000 16.736 0.000) 16.736 8.445 ( 0.000 25.484 0.000) 25.484 8.589 ( 0.000 21.655 0.000) 21.655 8.827 ( 0.000 17.881 0.000) 17.881 9.010 ( 0.000 30.982 0.000) 30.982 9.012 ( 0.000 31.527 0.000) 31.527 11.990 ( 0.000 -11.804 0.000) 11.804 12.097 ( 0.000 -5.901 0.000) 5.901 12.286 ( 0.000 4.219 0.000) 4.219 12.455 ( 0.000 -12.773 0.000) 12.773 13.134 ( 0.000 -2.234 0.000) 2.234 13.326 ( 0.000 -0.668 0.000) 0.668 13.543 ( 0.000 -2.075 0.000) 2.075 13.582 ( 0.000 -1.641 0.000) 1.641 13.943 ( 0.000 -4.756 0.000) 4.756 13.955 ( 0.000 -0.783 0.000) 0.783 14.296 ( 0.000 -8.025 0.000) 8.025 14.518 ( 0.000 -9.439 0.000) 9.439 14.683 ( 0.000 -0.890 0.000) 0.890 14.742 ( 0.000 -5.155 0.000) 5.155 14.748 ( 0.000 -3.369 0.000) 3.369 14.867 ( 0.000 3.160 0.000) 3.160 14.919 ( 0.000 3.132 0.000) 3.132 15.047 ( 0.000 -8.290 0.000) 8.290 15.148 ( 0.000 0.278 0.000) 0.278 15.266 ( 0.000 -2.819 0.000) 2.819 15.376 ( 0.000 4.617 0.000) 4.617 15.384 ( 0.000 2.390 0.000) 2.390 15.395 ( 0.000 3.272 0.000) 3.272 15.600 ( 0.000 3.186 0.000) 3.186 15.692 ( 0.000 -5.117 0.000) 5.117 15.825 ( 0.000 -7.102 0.000) 7.102 15.840 ( 0.000 -1.865 0.000) 1.865 15.942 ( 0.000 -5.918 0.000) 5.918 16.088 ( 0.000 1.839 0.000) 1.839 16.129 ( 0.000 -2.638 0.000) 2.638 16.158 ( 0.000 -3.866 0.000) 3.866 16.262 ( 0.000 0.712 0.000) 0.712 16.561 ( 0.000 -2.640 0.000) 2.640 16.576 ( 0.000 -5.872 0.000) 5.872 16.724 ( 0.000 -3.383 0.000) 3.383 16.860 ( 0.000 -6.870 0.000) 6.870 17.990 ( 0.000 -6.300 0.000) 6.300 18.001 ( 0.000 -7.984 0.000) 7.984 18.181 ( 0.000 -7.678 0.000) 7.678 18.418 ( 0.000 -15.751 0.000) 15.751 18.724 ( 0.000 -6.539 0.000) 6.539 18.756 ( 0.000 -5.648 0.000) 5.648 18.815 ( 0.000 -8.910 0.000) 8.910 18.861 ( 0.000 -6.043 0.000) 6.043 ======================= Grid point 36 (22/108) ======================= q-point: ( 0.17 0.31 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 7.753 27.982 0.000) 29.036 4.072 ( 4.868 37.064 0.000) 37.383 4.426 ( 2.428 11.555 0.000) 11.807 4.442 ( -9.892 8.256 0.000) 12.885 4.658 ( -1.128 7.647 0.000) 7.730 4.698 ( -5.800 27.909 0.000) 28.506 4.785 ( 5.876 25.616 0.000) 26.281 4.948 ( -2.911 24.599 0.000) 24.770 5.226 ( 7.413 14.561 0.000) 16.340 5.271 ( -3.823 20.640 0.000) 20.991 5.521 ( 3.939 15.345 0.000) 15.842 5.671 ( 2.070 20.803 0.000) 20.906 5.756 ( -7.650 6.859 0.000) 10.275 5.930 ( 6.133 5.551 0.000) 8.272 5.958 ( 2.882 8.479 0.000) 8.955 5.963 ( -7.517 3.173 0.000) 8.159 6.070 ( 2.348 11.738 0.000) 11.971 6.355 ( -8.647 11.597 0.000) 14.466 6.465 ( -3.707 4.417 0.000) 5.766 6.706 ( 1.097 15.529 0.000) 15.568 6.920 ( 10.007 5.559 0.000) 11.447 6.950 ( 4.182 6.304 0.000) 7.565 7.125 ( 0.668 11.075 0.000) 11.095 7.259 ( -2.763 9.318 0.000) 9.719 7.466 ( -2.120 2.576 0.000) 3.336 7.468 ( 3.472 -3.641 0.000) 5.031 7.481 ( -2.650 3.439 0.000) 4.342 7.643 ( 3.191 -3.255 0.000) 4.558 7.699 ( 1.785 21.425 0.000) 21.499 7.798 ( 3.835 20.271 0.000) 20.630 7.967 ( -5.801 17.498 0.000) 18.434 8.112 ( 1.997 30.691 0.000) 30.756 8.146 ( 1.729 10.950 0.000) 11.086 8.327 ( 2.713 31.559 0.000) 31.675 8.382 ( -3.683 11.958 0.000) 12.512 8.447 ( -0.499 24.358 0.000) 24.363 8.590 ( 0.775 27.220 0.000) 27.231 8.795 ( -3.127 19.292 0.000) 19.544 8.987 ( -2.278 30.521 0.000) 30.606 8.994 ( -1.886 31.222 0.000) 31.279 11.911 ( -4.374 -11.018 0.000) 11.854 12.163 ( -9.169 -2.741 0.000) 9.570 12.228 ( 9.662 -5.232 0.000) 10.987 12.534 ( 4.738 -5.317 0.000) 7.122 13.230 ( 9.429 -2.099 0.000) 9.660 13.372 ( 4.178 -0.932 0.000) 4.281 13.578 ( 3.735 -3.955 0.000) 5.440 13.586 ( 1.087 -3.146 0.000) 3.329 13.906 ( -4.950 -0.630 0.000) 4.990 13.943 ( -0.083 -4.476 0.000) 4.477 14.274 ( -1.930 -8.458 0.000) 8.676 14.476 ( -4.463 -8.463 0.000) 9.568 14.631 ( -4.892 -3.249 0.000) 5.873 14.679 ( -6.276 -5.681 0.000) 8.465 14.789 ( 3.327 -1.495 0.000) 3.647 14.886 ( 1.555 2.063 0.000) 2.584 14.927 ( 0.734 2.701 0.000) 2.799 15.010 ( -2.907 -4.994 0.000) 5.779 15.160 ( 0.701 -1.947 0.000) 2.069 15.233 ( -3.354 -0.850 0.000) 3.460 15.293 ( -4.793 2.143 0.000) 5.250 15.335 ( -4.116 -0.759 0.000) 4.185 15.474 ( 4.182 4.267 0.000) 5.975 15.626 ( 1.655 1.928 0.000) 2.541 15.668 ( -1.736 -3.592 0.000) 3.990 15.800 ( -1.932 -4.948 0.000) 5.311 15.860 ( 1.672 -4.257 0.000) 4.573 15.961 ( -0.680 0.367 0.000) 0.773 15.982 ( -1.370 -4.844 0.000) 5.034 16.107 ( -3.195 0.375 0.000) 3.217 16.248 ( 4.755 -0.237 0.000) 4.761 16.301 ( 1.704 -2.148 0.000) 2.742 16.588 ( 2.719 -2.231 0.000) 3.517 16.595 ( 2.131 -5.661 0.000) 6.049 16.753 ( 2.970 -4.023 0.000) 5.000 16.873 ( 1.222 -6.921 0.000) 7.029 17.990 ( 0.021 -6.445 0.000) 6.445 18.000 ( -0.117 -7.908 0.000) 7.909 18.191 ( 1.147 -7.993 0.000) 8.075 18.397 ( -2.136 -15.081 0.000) 15.232 18.725 ( 0.155 -6.533 0.000) 6.535 18.753 ( -0.317 -5.746 0.000) 5.754 18.814 ( -0.046 -8.604 0.000) 8.604 18.852 ( -0.822 -6.014 0.000) 6.070 ======================= Grid point 37 (23/108) ======================= q-point: ( 0.33 0.31 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 13.106 23.566 0.000) 26.965 4.147 ( -4.287 24.213 0.000) 24.590 4.264 ( -1.647 24.760 0.000) 24.814 4.487 ( 3.717 9.766 0.000) 10.449 4.555 ( -8.608 33.163 0.000) 34.262 4.624 ( -2.605 6.546 0.000) 7.045 4.902 ( 5.751 27.333 0.000) 27.931 4.938 ( 0.962 22.914 0.000) 22.934 5.213 ( -0.940 15.682 0.000) 15.710 5.329 ( 3.365 9.082 0.000) 9.685 5.529 ( -5.506 17.069 0.000) 17.935 5.711 ( -3.197 18.115 0.000) 18.395 5.716 ( 6.791 7.493 0.000) 10.113 5.811 ( -2.557 9.581 0.000) 9.917 5.975 ( -1.936 2.535 0.000) 3.190 5.982 ( -1.365 14.340 0.000) 14.405 6.132 ( 2.788 9.632 0.000) 10.028 6.210 ( -5.412 5.895 0.000) 8.003 6.470 ( 5.168 6.955 0.000) 8.665 6.716 ( -1.619 13.391 0.000) 13.489 7.000 ( 0.857 6.963 0.000) 7.015 7.016 ( -1.490 7.705 0.000) 7.848 7.157 ( 5.996 -2.442 0.000) 6.474 7.308 ( 6.921 25.341 0.000) 26.269 7.390 ( -5.127 5.995 0.000) 7.888 7.459 ( -0.438 3.025 0.000) 3.057 7.513 ( 1.364 -1.480 0.000) 2.013 7.670 ( -5.528 18.741 0.000) 19.540 7.723 ( 5.011 -1.861 0.000) 5.345 7.881 ( -3.261 10.455 0.000) 10.952 7.903 ( 7.318 19.120 0.000) 20.473 8.160 ( -0.941 23.181 0.000) 23.200 8.160 ( 2.872 27.804 0.000) 27.952 8.280 ( -6.370 5.183 0.000) 8.212 8.391 ( 3.646 27.787 0.000) 28.025 8.438 ( -0.094 23.205 0.000) 23.205 8.621 ( 2.032 31.796 0.000) 31.860 8.723 ( -4.182 23.019 0.000) 23.396 8.936 ( -2.650 30.066 0.000) 30.183 8.948 ( -2.679 31.009 0.000) 31.124 11.864 ( -0.439 -10.668 0.000) 10.677 12.003 ( -7.468 -6.832 0.000) 10.122 12.409 ( 9.121 -1.629 0.000) 9.265 12.586 ( 0.517 -0.165 0.000) 0.543 13.432 ( 10.398 -3.642 0.000) 11.018 13.444 ( 3.285 -3.257 0.000) 4.626 13.645 ( 4.298 -5.316 0.000) 6.836 13.652 ( 1.465 -8.492 0.000) 8.617 13.824 ( -0.251 1.241 0.000) 1.266 13.938 ( -0.478 -3.695 0.000) 3.726 14.247 ( -0.402 -8.993 0.000) 9.002 14.361 ( -6.884 -6.156 0.000) 9.235 14.506 ( -7.920 -3.928 0.000) 8.841 14.527 ( -9.173 -6.502 0.000) 11.244 14.856 ( 3.574 -0.979 0.000) 3.706 14.914 ( 1.319 -0.442 0.000) 1.391 14.936 ( -0.107 0.868 0.000) 0.874 14.964 ( -1.845 -2.898 0.000) 3.436 15.153 ( -1.671 -1.939 0.000) 2.560 15.162 ( -3.387 0.622 0.000) 3.443 15.230 ( -1.167 -1.203 0.000) 1.676 15.268 ( -2.700 -3.532 0.000) 4.446 15.533 ( 2.164 3.854 0.000) 4.420 15.601 ( -2.509 0.169 0.000) 2.515 15.691 ( 2.502 -0.230 0.000) 2.512 15.765 ( -1.751 -3.450 0.000) 3.869 15.893 ( 1.257 -3.713 0.000) 3.920 15.914 ( -1.457 1.083 0.000) 1.815 16.051 ( 5.114 -5.012 0.000) 7.161 16.082 ( 0.991 2.523 0.000) 2.710 16.266 ( -2.131 0.862 0.000) 2.299 16.290 ( -2.725 -3.221 0.000) 4.219 16.648 ( 3.040 -1.972 0.000) 3.624 16.650 ( 3.057 -4.455 0.000) 5.403 16.821 ( 3.841 -5.269 0.000) 6.520 16.893 ( 0.479 -6.844 0.000) 6.861 17.991 ( 0.098 -6.823 0.000) 6.824 17.997 ( -0.192 -7.674 0.000) 7.676 18.224 ( 2.354 -9.033 0.000) 9.335 18.343 ( -3.435 -13.219 0.000) 13.658 18.730 ( 0.305 -6.474 0.000) 6.481 18.745 ( -0.475 -5.998 0.000) 6.017 18.815 ( 0.130 -7.821 0.000) 7.822 18.835 ( -0.926 -6.224 0.000) 6.293 ======================= Grid point 38 (24/108) ======================= q-point: (-0.50 0.31 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( -14.922 18.097 0.000) 23.456 3.911 ( 14.922 18.097 0.000) 23.456 4.386 ( -8.880 35.751 0.000) 36.837 4.386 ( 8.880 35.751 0.000) 36.837 4.563 ( -3.795 7.433 0.000) 8.345 4.563 ( 3.795 7.433 0.000) 8.345 4.956 ( -0.042 24.964 0.000) 24.964 4.956 ( 0.042 24.964 0.000) 24.964 5.276 ( -6.790 11.071 0.000) 12.988 5.276 ( 6.790 11.071 0.000) 12.988 5.552 ( -8.082 13.590 0.000) 15.812 5.552 ( 8.082 13.590 0.000) 15.812 5.859 ( -3.875 11.047 0.000) 11.707 5.859 ( 3.875 11.047 0.000) 11.707 5.910 ( -2.343 12.975 0.000) 13.184 5.910 ( 2.343 12.975 0.000) 13.184 6.161 ( -1.060 3.724 0.000) 3.872 6.161 ( 1.060 3.724 0.000) 3.872 6.615 ( -8.334 10.346 0.000) 13.286 6.615 ( 8.334 10.346 0.000) 13.286 6.997 ( -0.331 5.378 0.000) 5.388 6.997 ( 0.331 5.378 0.000) 5.388 7.282 ( -6.456 6.861 0.000) 9.421 7.282 ( 6.456 6.861 0.000) 9.421 7.435 ( -4.058 12.436 0.000) 13.081 7.435 ( 4.058 12.436 0.000) 13.081 7.550 ( -4.632 10.208 0.000) 11.210 7.550 ( 4.632 10.208 0.000) 11.210 7.814 ( -4.345 2.297 0.000) 4.915 7.814 ( 4.345 2.297 0.000) 4.915 8.058 ( -8.641 20.138 0.000) 21.914 8.058 ( 8.641 20.138 0.000) 21.914 8.208 ( -2.197 19.295 0.000) 19.419 8.208 ( 2.197 19.295 0.000) 19.419 8.437 ( -0.775 22.536 0.000) 22.550 8.437 ( 0.775 22.536 0.000) 22.550 8.659 ( -2.413 29.337 0.000) 29.436 8.659 ( 2.413 29.337 0.000) 29.436 8.913 ( -0.506 30.603 0.000) 30.607 8.913 ( 0.506 30.603 0.000) 30.607 11.896 ( -3.806 -9.345 0.000) 10.090 11.896 ( 3.806 -9.345 0.000) 10.090 12.545 ( -4.970 1.243 0.000) 5.123 12.545 ( 4.970 1.243 0.000) 5.123 13.509 ( -2.950 -6.668 0.000) 7.292 13.509 ( 2.950 -6.668 0.000) 7.292 13.665 ( -2.524 -6.216 0.000) 6.709 13.665 ( 2.524 -6.216 0.000) 6.709 13.904 ( -4.326 -0.807 0.000) 4.400 13.904 ( 4.326 -0.807 0.000) 4.400 14.271 ( -2.661 -7.781 0.000) 8.223 14.271 ( 2.661 -7.781 0.000) 8.223 14.408 ( -0.557 -4.794 0.000) 4.826 14.408 ( 0.557 -4.794 0.000) 4.826 14.913 ( -2.328 -0.546 0.000) 2.391 14.913 ( 2.328 -0.546 0.000) 2.391 14.937 ( -1.227 -2.670 0.000) 2.939 14.937 ( 1.227 -2.670 0.000) 2.939 15.129 ( -0.038 -0.012 0.000) 0.040 15.129 ( 0.038 -0.012 0.000) 0.040 15.234 ( -1.057 -3.469 0.000) 3.627 15.234 ( 1.057 -3.469 0.000) 3.627 15.564 ( -1.498 3.130 0.000) 3.470 15.564 ( 1.498 3.130 0.000) 3.470 15.732 ( -1.896 -2.007 0.000) 2.761 15.732 ( 1.896 -2.007 0.000) 2.761 15.902 ( -0.170 -1.220 0.000) 1.232 15.902 ( 0.170 -1.220 0.000) 1.232 16.118 ( -0.268 -0.400 0.000) 0.482 16.118 ( 0.268 -0.400 0.000) 0.482 16.233 ( -1.252 -1.650 0.000) 2.072 16.233 ( 1.252 -1.650 0.000) 2.072 16.681 ( -0.139 -2.725 0.000) 2.729 16.681 ( 0.139 -2.725 0.000) 2.729 16.880 ( -2.056 -6.360 0.000) 6.684 16.880 ( 2.056 -6.360 0.000) 6.684 17.994 ( -0.184 -7.285 0.000) 7.288 17.994 ( 0.184 -7.285 0.000) 7.288 18.278 ( -3.361 -10.894 0.000) 11.401 18.278 ( 3.361 -10.894 0.000) 11.401 18.737 ( -0.438 -6.287 0.000) 6.302 18.737 ( 0.438 -6.287 0.000) 6.302 18.821 ( -0.536 -6.901 0.000) 6.922 18.821 ( 0.536 -6.901 0.000) 6.922 ======================= Grid point 42 (25/108) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( 0.000 22.177 0.000) 22.177 4.560 ( 0.000 3.815 0.000) 3.815 4.626 ( 0.000 5.866 0.000) 5.866 4.685 ( 0.000 -0.719 0.000) 0.719 4.746 ( 0.000 29.116 0.000) 29.116 5.191 ( 0.000 18.739 0.000) 18.739 5.264 ( 0.000 22.734 0.000) 22.734 5.350 ( 0.000 10.948 0.000) 10.948 5.543 ( 0.000 16.730 0.000) 16.730 5.579 ( 0.000 4.589 0.000) 4.589 5.814 ( 0.000 18.993 0.000) 18.993 6.026 ( 0.000 10.488 0.000) 10.488 6.029 ( 0.000 5.601 0.000) 5.601 6.053 ( 0.000 15.392 0.000) 15.392 6.062 ( 0.000 9.558 0.000) 9.558 6.126 ( 0.000 17.277 0.000) 17.277 6.280 ( 0.000 10.665 0.000) 10.665 6.629 ( 0.000 5.877 0.000) 5.877 6.648 ( 0.000 -4.797 0.000) 4.797 6.700 ( 0.000 1.881 0.000) 1.881 6.803 ( 0.000 1.176 0.000) 1.176 6.883 ( 0.000 -3.713 0.000) 3.713 7.131 ( 0.000 -9.191 0.000) 9.191 7.327 ( 0.000 0.309 0.000) 0.309 7.454 ( 0.000 -2.229 0.000) 2.229 7.480 ( 0.000 -1.584 0.000) 1.584 7.509 ( 0.000 -1.319 0.000) 1.319 7.844 ( 0.000 -13.877 0.000) 13.877 7.888 ( 0.000 24.152 0.000) 24.152 8.134 ( 0.000 15.263 0.000) 15.263 8.359 ( 0.000 28.273 0.000) 28.273 8.500 ( 0.000 19.239 0.000) 19.239 8.700 ( 0.000 13.805 0.000) 13.805 8.801 ( 0.000 37.658 0.000) 37.658 8.897 ( 0.000 19.396 0.000) 19.396 8.917 ( 0.000 27.714 0.000) 27.714 9.190 ( 0.000 17.301 0.000) 17.301 9.228 ( 0.000 32.472 0.000) 32.472 9.578 ( 0.000 23.653 0.000) 23.653 9.590 ( 0.000 25.292 0.000) 25.292 11.804 ( 0.000 -6.600 0.000) 6.600 11.968 ( 0.000 -6.808 0.000) 6.808 12.223 ( 0.000 -9.567 0.000) 9.567 12.307 ( 0.000 -2.284 0.000) 2.284 13.164 ( 0.000 5.175 0.000) 5.175 13.351 ( 0.000 3.268 0.000) 3.268 13.565 ( 0.000 4.780 0.000) 4.780 13.624 ( 0.000 5.488 0.000) 5.488 13.910 ( 0.000 1.672 0.000) 1.672 13.980 ( 0.000 3.282 0.000) 3.282 14.085 ( 0.000 -12.009 0.000) 12.009 14.280 ( 0.000 -12.967 0.000) 12.967 14.615 ( 0.000 -7.099 0.000) 7.099 14.620 ( 0.000 -10.020 0.000) 10.020 14.656 ( 0.000 -4.732 0.000) 4.732 14.848 ( 0.000 -6.850 0.000) 6.850 14.913 ( 0.000 -1.903 0.000) 1.903 15.020 ( 0.000 5.701 0.000) 5.701 15.157 ( 0.000 1.126 0.000) 1.126 15.221 ( 0.000 0.373 0.000) 0.373 15.421 ( 0.000 -0.115 0.000) 0.115 15.454 ( 0.000 4.108 0.000) 4.108 15.481 ( 0.000 2.588 0.000) 2.588 15.559 ( 0.000 -6.362 0.000) 6.362 15.678 ( 0.000 2.557 0.000) 2.557 15.729 ( 0.000 -1.205 0.000) 1.205 15.798 ( 0.000 -7.474 0.000) 7.474 15.821 ( 0.000 0.140 0.000) 0.140 16.096 ( 0.000 -0.635 0.000) 0.635 16.107 ( 0.000 -1.391 0.000) 1.391 16.144 ( 0.000 3.333 0.000) 3.333 16.256 ( 0.000 -1.428 0.000) 1.428 16.445 ( 0.000 -6.859 0.000) 6.859 16.482 ( 0.000 -4.614 0.000) 4.614 16.629 ( 0.000 -5.838 0.000) 5.838 16.696 ( 0.000 -8.930 0.000) 8.930 17.831 ( 0.000 -8.378 0.000) 8.378 17.846 ( 0.000 -7.438 0.000) 7.438 18.000 ( 0.000 -9.820 0.000) 9.820 18.103 ( 0.000 -15.134 0.000) 15.134 18.600 ( 0.000 -5.567 0.000) 5.567 18.646 ( 0.000 -7.533 0.000) 7.533 18.653 ( 0.000 -4.379 0.000) 4.379 18.741 ( 0.000 -5.696 0.000) 5.696 ======================= Grid point 43 (26/108) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( 4.541 20.823 0.000) 21.312 4.547 ( -6.955 4.737 0.000) 8.415 4.572 ( 1.221 3.416 0.000) 3.627 4.697 ( 0.379 2.402 0.000) 2.431 4.790 ( 4.257 28.242 0.000) 28.561 5.186 ( -0.728 19.938 0.000) 19.952 5.289 ( 2.706 20.961 0.000) 21.135 5.328 ( -1.933 12.274 0.000) 12.426 5.545 ( 0.171 14.672 0.000) 14.673 5.558 ( -2.729 6.283 0.000) 6.850 5.843 ( 2.819 16.279 0.000) 16.522 5.959 ( -5.427 14.403 0.000) 15.391 5.969 ( -1.827 8.819 0.000) 9.006 6.066 ( -2.784 10.537 0.000) 10.899 6.107 ( 4.258 8.293 0.000) 9.323 6.151 ( 1.896 16.214 0.000) 16.324 6.331 ( 4.248 11.764 0.000) 12.508 6.489 ( -8.580 2.069 0.000) 8.826 6.546 ( -4.771 4.143 0.000) 6.318 6.823 ( 2.220 -0.002 0.000) 2.220 6.891 ( 10.803 -2.588 0.000) 11.109 6.966 ( 5.737 -2.157 0.000) 6.129 7.085 ( -3.774 -5.033 0.000) 6.291 7.348 ( 2.018 -3.011 0.000) 3.625 7.436 ( -2.067 -2.445 0.000) 3.201 7.488 ( -1.897 -1.353 0.000) 2.330 7.522 ( 3.998 -1.827 0.000) 4.396 7.826 ( -1.848 -12.945 0.000) 13.076 7.910 ( 2.428 24.227 0.000) 24.348 8.158 ( 2.617 14.686 0.000) 14.917 8.295 ( -5.183 23.837 0.000) 24.393 8.558 ( 2.815 19.680 0.000) 19.880 8.653 ( -2.550 17.255 0.000) 17.443 8.806 ( 0.577 35.764 0.000) 35.768 8.917 ( 1.173 21.004 0.000) 21.037 8.928 ( 0.795 28.054 0.000) 28.066 9.188 ( -0.057 18.722 0.000) 18.722 9.236 ( 0.947 31.530 0.000) 31.544 9.560 ( -1.770 23.903 0.000) 23.968 9.561 ( -2.830 25.142 0.000) 25.300 11.746 ( -3.380 -5.120 0.000) 6.135 12.072 ( -10.096 -4.665 0.000) 11.122 12.096 ( 10.584 -7.831 0.000) 13.166 12.422 ( 6.573 -6.807 0.000) 9.463 13.252 ( 8.363 3.930 0.000) 9.241 13.394 ( 3.879 2.965 0.000) 4.882 13.566 ( 0.172 3.680 0.000) 3.684 13.594 ( -2.365 3.738 0.000) 4.423 13.911 ( -0.071 1.585 0.000) 1.587 13.933 ( -4.410 2.336 0.000) 4.991 14.076 ( -0.797 -9.617 0.000) 9.650 14.265 ( -1.593 -11.235 0.000) 11.347 14.535 ( -5.850 -7.466 0.000) 9.485 14.552 ( -6.368 -6.891 0.000) 9.383 14.718 ( 3.442 -7.421 0.000) 8.180 14.852 ( 0.004 -7.288 0.000) 7.288 14.914 ( 0.049 -1.364 0.000) 1.365 15.009 ( -1.243 4.697 0.000) 4.859 15.161 ( 0.306 1.505 0.000) 1.536 15.221 ( -0.176 1.423 0.000) 1.434 15.321 ( -7.232 0.022 0.000) 7.232 15.330 ( -9.144 -0.712 0.000) 9.172 15.553 ( 4.253 2.007 0.000) 4.703 15.595 ( 1.145 -1.478 0.000) 1.869 15.680 ( 0.026 1.383 0.000) 1.384 15.691 ( -2.711 -3.504 0.000) 4.430 15.820 ( 2.739 -7.895 0.000) 8.357 15.826 ( 0.553 -0.179 0.000) 0.581 16.032 ( -2.653 3.919 0.000) 4.732 16.134 ( 1.864 2.111 0.000) 2.816 16.249 ( 5.644 0.221 0.000) 5.649 16.254 ( -0.451 -2.414 0.000) 2.456 16.470 ( 2.662 -6.263 0.000) 6.805 16.515 ( 3.198 -4.606 0.000) 5.607 16.644 ( 1.682 -6.639 0.000) 6.849 16.707 ( 1.101 -9.093 0.000) 9.160 17.831 ( -0.002 -8.343 0.000) 8.343 17.844 ( -0.208 -7.502 0.000) 7.505 18.005 ( 0.505 -10.076 0.000) 10.088 18.093 ( -0.970 -14.693 0.000) 14.725 18.601 ( 0.169 -5.569 0.000) 5.571 18.648 ( -0.531 -4.483 0.000) 4.514 18.652 ( 0.550 -7.279 0.000) 7.300 18.732 ( -0.869 -5.714 0.000) 5.780 ======================= Grid point 44 (27/108) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.054 ( 7.851 17.234 0.000) 18.938 4.393 ( -9.142 8.000 0.000) 12.149 4.604 ( 2.195 2.413 0.000) 3.262 4.687 ( -1.450 0.933 0.000) 1.724 4.896 ( 6.843 29.034 0.000) 29.829 5.143 ( -4.397 23.756 0.000) 24.159 5.311 ( 0.974 12.620 0.000) 12.657 5.361 ( 4.614 17.370 0.000) 17.972 5.477 ( -5.188 8.792 0.000) 10.209 5.539 ( -1.458 11.212 0.000) 11.306 5.840 ( -3.010 14.203 0.000) 14.518 5.933 ( -4.291 8.452 0.000) 9.479 5.939 ( 4.209 14.950 0.000) 15.532 6.030 ( 0.585 10.575 0.000) 10.592 6.169 ( 0.591 15.939 0.000) 15.950 6.192 ( 4.363 8.131 0.000) 9.227 6.333 ( -3.442 9.712 0.000) 10.303 6.343 ( -7.189 7.245 0.000) 10.206 6.586 ( 7.997 4.723 0.000) 9.288 6.858 ( -0.791 3.308 0.000) 3.401 6.961 ( -1.295 -7.999 0.000) 8.103 7.032 ( 0.768 -1.381 0.000) 1.580 7.133 ( 8.687 1.112 0.000) 8.758 7.376 ( -4.247 -2.197 0.000) 4.781 7.391 ( 2.331 -5.696 0.000) 6.155 7.454 ( -1.556 -2.511 0.000) 2.954 7.609 ( 4.963 -3.726 0.000) 6.206 7.777 ( -3.450 -10.579 0.000) 11.127 7.977 ( 4.637 23.957 0.000) 24.402 8.190 ( -5.968 21.942 0.000) 22.739 8.231 ( 5.099 13.263 0.000) 14.209 8.485 ( -7.307 11.112 0.000) 13.300 8.719 ( 6.337 28.350 0.000) 29.050 8.825 ( 1.302 33.077 0.000) 33.103 8.919 ( -0.943 23.444 0.000) 23.463 8.926 ( -1.422 26.274 0.000) 26.313 9.200 ( 1.667 22.807 0.000) 22.868 9.257 ( 0.730 29.444 0.000) 29.453 9.502 ( -2.813 24.909 0.000) 25.067 9.519 ( -2.449 24.548 0.000) 24.670 11.717 ( 0.541 -3.560 0.000) 3.600 11.894 ( -8.472 -3.001 0.000) 8.987 12.309 ( 11.365 -8.350 0.000) 14.103 12.511 ( 2.317 -7.869 0.000) 8.203 13.401 ( 5.058 -0.288 0.000) 5.066 13.436 ( -0.425 2.361 0.000) 2.399 13.574 ( 0.944 2.317 0.000) 2.502 13.590 ( 2.406 -0.245 0.000) 2.419 13.882 ( 1.112 3.733 0.000) 3.895 13.908 ( 0.169 1.229 0.000) 1.241 14.063 ( -0.288 -8.063 0.000) 8.068 14.223 ( -3.047 -6.769 0.000) 7.423 14.400 ( -8.878 -6.181 0.000) 10.818 14.415 ( -6.741 -5.485 0.000) 8.690 14.773 ( 2.469 -8.880 0.000) 9.217 14.840 ( -1.231 -8.046 0.000) 8.139 14.916 ( 0.289 0.002 0.000) 0.289 14.973 ( -2.505 2.424 0.000) 3.486 15.158 ( -1.631 0.714 0.000) 1.780 15.175 ( -5.049 -0.922 0.000) 5.132 15.206 ( -3.007 -0.130 0.000) 3.010 15.222 ( -1.181 1.045 0.000) 1.576 15.609 ( 0.772 0.704 0.000) 1.044 15.609 ( 1.484 3.197 0.000) 3.524 15.662 ( -0.265 -6.166 0.000) 6.172 15.672 ( -0.647 -1.805 0.000) 1.917 15.846 ( 1.571 -1.168 0.000) 1.957 15.877 ( 1.846 -5.879 0.000) 6.162 16.023 ( 2.366 3.848 0.000) 4.517 16.157 ( 0.206 4.353 0.000) 4.358 16.231 ( -1.497 -1.896 0.000) 2.415 16.291 ( -0.993 1.436 0.000) 1.746 16.543 ( 4.455 -5.719 0.000) 7.250 16.579 ( 2.888 -4.577 0.000) 5.412 16.687 ( 2.557 -7.898 0.000) 8.301 16.727 ( 0.720 -9.214 0.000) 9.242 17.831 ( 0.074 -8.215 0.000) 8.216 17.839 ( -0.292 -7.697 0.000) 7.703 18.019 ( 1.003 -10.846 0.000) 10.892 18.070 ( -1.488 -13.527 0.000) 13.609 18.607 ( 0.480 -5.439 0.000) 5.460 18.635 ( -0.827 -4.763 0.000) 4.834 18.666 ( 0.967 -6.743 0.000) 6.812 18.711 ( -1.298 -5.855 0.000) 5.997 ======================= Grid point 45 (28/108) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( -9.372 12.551 0.000) 15.664 4.218 ( 9.372 12.551 0.000) 15.664 4.649 ( -2.403 1.352 0.000) 2.757 4.649 ( 2.403 1.352 0.000) 2.757 5.030 ( -7.111 27.034 0.000) 27.954 5.030 ( 7.111 27.034 0.000) 27.954 5.365 ( -4.192 13.225 0.000) 13.874 5.365 ( 4.192 13.225 0.000) 13.874 5.474 ( -4.875 10.306 0.000) 11.401 5.474 ( 4.875 10.306 0.000) 11.401 5.845 ( -3.551 14.836 0.000) 15.255 5.845 ( 3.551 14.836 0.000) 15.255 6.017 ( -3.087 8.713 0.000) 9.244 6.017 ( 3.087 8.713 0.000) 9.244 6.217 ( -4.630 14.242 0.000) 14.975 6.217 ( 4.630 14.242 0.000) 14.975 6.270 ( -2.836 7.638 0.000) 8.148 6.270 ( 2.836 7.638 0.000) 8.148 6.750 ( -8.508 3.423 0.000) 9.171 6.750 ( 8.508 3.423 0.000) 9.171 7.001 ( -3.361 -2.379 0.000) 4.118 7.001 ( 3.361 -2.379 0.000) 4.118 7.278 ( -6.435 -1.005 0.000) 6.513 7.278 ( 6.435 -1.005 0.000) 6.513 7.427 ( -1.508 -4.704 0.000) 4.940 7.427 ( 1.508 -4.704 0.000) 4.940 7.700 ( -4.648 -7.257 0.000) 8.618 7.700 ( 4.648 -7.257 0.000) 8.618 8.077 ( -5.925 22.793 0.000) 23.550 8.077 ( 5.925 22.793 0.000) 23.550 8.346 ( -7.138 11.737 0.000) 13.737 8.346 ( 7.138 11.737 0.000) 13.737 8.822 ( -3.385 31.768 0.000) 31.948 8.822 ( 3.385 31.768 0.000) 31.948 8.898 ( -0.242 23.369 0.000) 23.370 8.898 ( 0.242 23.369 0.000) 23.370 9.243 ( -2.186 26.790 0.000) 26.879 9.243 ( 2.186 26.790 0.000) 26.879 9.483 ( -0.894 24.967 0.000) 24.983 9.483 ( 0.894 24.967 0.000) 24.983 11.768 ( -4.874 -2.760 0.000) 5.601 11.768 ( 4.874 -2.760 0.000) 5.601 12.480 ( -5.962 -8.199 0.000) 10.137 12.480 ( 5.962 -8.199 0.000) 10.137 13.425 ( -0.144 -1.193 0.000) 1.202 13.425 ( 0.144 -1.193 0.000) 1.202 13.607 ( -1.463 0.604 0.000) 1.583 13.607 ( 1.463 0.604 0.000) 1.583 13.925 ( -0.163 3.015 0.000) 3.020 13.925 ( 0.163 3.015 0.000) 3.020 14.117 ( -7.294 -6.880 0.000) 10.026 14.117 ( 7.294 -6.880 0.000) 10.026 14.319 ( -1.880 -4.191 0.000) 4.593 14.319 ( 1.880 -4.191 0.000) 4.593 14.811 ( -1.757 -9.059 0.000) 9.228 14.811 ( 1.757 -9.059 0.000) 9.228 14.931 ( -1.568 1.048 0.000) 1.886 14.931 ( 1.568 1.048 0.000) 1.886 15.126 ( -0.052 -2.269 0.000) 2.270 15.126 ( 0.052 -2.269 0.000) 2.270 15.203 ( -0.881 2.188 0.000) 2.359 15.203 ( 0.881 2.188 0.000) 2.359 15.619 ( -0.102 2.303 0.000) 2.306 15.619 ( 0.102 2.303 0.000) 2.306 15.664 ( -0.167 -4.732 0.000) 4.735 15.664 ( 0.167 -4.732 0.000) 4.735 15.875 ( -1.292 -2.151 0.000) 2.509 15.875 ( 1.292 -2.151 0.000) 2.509 16.106 ( -5.010 0.543 0.000) 5.039 16.106 ( 5.010 0.543 0.000) 5.039 16.247 ( -2.731 2.683 0.000) 3.829 16.247 ( 2.731 2.683 0.000) 3.829 16.600 ( -1.049 -4.968 0.000) 5.077 16.600 ( 1.049 -4.968 0.000) 5.077 16.724 ( -1.152 -8.815 0.000) 8.890 16.724 ( 1.152 -8.815 0.000) 8.890 17.834 ( -0.213 -7.975 0.000) 7.977 17.834 ( 0.213 -7.975 0.000) 7.977 18.042 ( -1.417 -12.082 0.000) 12.165 18.042 ( 1.417 -12.082 0.000) 12.165 18.619 ( -0.778 -5.128 0.000) 5.186 18.619 ( 0.778 -5.128 0.000) 5.186 18.687 ( -1.256 -6.214 0.000) 6.340 18.687 ( 1.256 -6.214 0.000) 6.340 ======================= Grid point 49 (29/108) ======================= q-point: ( 0.00 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.258 ( 0.000 14.333 0.000) 14.333 4.574 ( 0.000 -2.170 0.000) 2.170 4.660 ( 0.000 0.189 0.000) 0.189 4.665 ( 0.000 -0.837 0.000) 0.837 5.297 ( 0.000 21.415 0.000) 21.415 5.465 ( 0.000 7.913 0.000) 7.913 5.498 ( 0.000 4.078 0.000) 4.078 5.591 ( 0.000 -1.627 0.000) 1.627 5.598 ( 0.000 13.393 0.000) 13.393 5.803 ( 0.000 12.779 0.000) 12.779 6.130 ( 0.000 3.555 0.000) 3.555 6.133 ( 0.000 -2.563 0.000) 2.563 6.141 ( 0.000 12.130 0.000) 12.130 6.295 ( 0.000 13.723 0.000) 13.723 6.440 ( 0.000 5.141 0.000) 5.141 6.456 ( 0.000 19.202 0.000) 19.202 6.461 ( 0.000 12.891 0.000) 12.891 6.514 ( 0.000 -14.289 0.000) 14.289 6.624 ( 0.000 5.657 0.000) 5.657 6.795 ( 0.000 11.731 0.000) 11.731 6.797 ( 0.000 -4.524 0.000) 4.524 6.825 ( 0.000 -3.722 0.000) 3.722 7.041 ( 0.000 -0.769 0.000) 0.769 7.323 ( 0.000 -0.823 0.000) 0.823 7.390 ( 0.000 -6.441 0.000) 6.441 7.427 ( 0.000 -0.179 0.000) 0.179 7.478 ( 0.000 -1.664 0.000) 1.664 7.491 ( 0.000 -19.456 0.000) 19.456 8.251 ( 0.000 12.179 0.000) 12.179 8.354 ( 0.000 6.562 0.000) 6.562 8.789 ( 0.000 9.528 0.000) 9.528 8.799 ( 0.000 11.567 0.000) 11.567 8.990 ( 0.000 16.317 0.000) 16.317 9.196 ( 0.000 9.332 0.000) 9.332 9.374 ( 0.000 16.794 0.000) 16.794 9.473 ( 0.000 13.324 0.000) 13.324 9.502 ( 0.000 26.046 0.000) 26.046 9.783 ( 0.000 21.521 0.000) 21.521 9.915 ( 0.000 8.893 0.000) 8.893 9.976 ( 0.000 12.250 0.000) 12.250 11.726 ( 0.000 -1.364 0.000) 1.364 11.836 ( 0.000 -5.938 0.000) 5.938 12.095 ( 0.000 -2.890 0.000) 2.890 12.212 ( 0.000 -6.095 0.000) 6.095 13.330 ( 0.000 10.831 0.000) 10.831 13.460 ( 0.000 7.616 0.000) 7.616 13.737 ( 0.000 11.604 0.000) 11.604 13.753 ( 0.000 3.688 0.000) 3.688 13.837 ( 0.000 -12.239 0.000) 12.239 13.999 ( 0.000 6.416 0.000) 6.416 14.057 ( 0.000 -5.967 0.000) 5.967 14.085 ( 0.000 7.057 0.000) 7.057 14.355 ( 0.000 -15.585 0.000) 15.585 14.462 ( 0.000 -7.760 0.000) 7.760 14.477 ( 0.000 -11.108 0.000) 11.108 14.613 ( 0.000 -14.476 0.000) 14.476 14.982 ( 0.000 6.583 0.000) 6.583 15.136 ( 0.000 5.908 0.000) 5.908 15.180 ( 0.000 0.086 0.000) 0.086 15.287 ( 0.000 5.182 0.000) 5.182 15.393 ( 0.000 -1.641 0.000) 1.641 15.415 ( 0.000 -7.558 0.000) 7.558 15.462 ( 0.000 -3.126 0.000) 3.126 15.500 ( 0.000 -1.487 0.000) 1.487 15.690 ( 0.000 -1.543 0.000) 1.543 15.718 ( 0.000 1.046 0.000) 1.046 15.779 ( 0.000 4.129 0.000) 4.129 15.837 ( 0.000 0.961 0.000) 0.961 16.097 ( 0.000 0.340 0.000) 0.340 16.106 ( 0.000 1.651 0.000) 1.651 16.201 ( 0.000 -3.871 0.000) 3.871 16.206 ( 0.000 1.565 0.000) 1.565 16.328 ( 0.000 -3.144 0.000) 3.144 16.411 ( 0.000 -1.770 0.000) 1.770 16.501 ( 0.000 -6.688 0.000) 6.688 16.528 ( 0.000 -7.234 0.000) 7.234 17.695 ( 0.000 -4.317 0.000) 4.317 17.721 ( 0.000 -4.251 0.000) 4.251 17.812 ( 0.000 -8.209 0.000) 8.209 17.834 ( 0.000 -11.042 0.000) 11.042 18.510 ( 0.000 -3.196 0.000) 3.196 18.525 ( 0.000 -4.273 0.000) 4.273 18.589 ( 0.000 -1.802 0.000) 1.802 18.640 ( 0.000 -4.083 0.000) 4.083 ======================= Grid point 50 (30/108) ======================= q-point: ( 0.17 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.279 ( 2.191 13.448 0.000) 13.626 4.580 ( 0.669 -2.283 0.000) 2.378 4.606 ( -4.036 1.970 0.000) 4.491 4.680 ( -0.072 -1.773 0.000) 1.775 5.313 ( 1.668 19.445 0.000) 19.517 5.469 ( 0.360 7.808 0.000) 7.816 5.488 ( -0.997 4.558 0.000) 4.666 5.586 ( -0.684 -1.265 0.000) 1.438 5.608 ( 1.047 13.469 0.000) 13.510 5.785 ( -1.581 11.842 0.000) 11.947 6.091 ( -3.163 -0.284 0.000) 3.176 6.113 ( -2.003 6.010 0.000) 6.335 6.181 ( 3.373 8.940 0.000) 9.555 6.314 ( 0.658 13.192 0.000) 13.208 6.380 ( -4.212 9.463 0.000) 10.358 6.430 ( -0.043 8.714 0.000) 8.715 6.510 ( 0.214 5.274 0.000) 5.278 6.517 ( 4.440 7.554 0.000) 8.762 6.665 ( -5.639 7.378 0.000) 9.286 6.726 ( 6.738 -1.305 0.000) 6.863 6.844 ( 1.374 -4.627 0.000) 4.827 6.929 ( 6.078 0.401 0.000) 6.091 7.065 ( 3.044 0.280 0.000) 3.056 7.294 ( -1.633 -2.160 0.000) 2.708 7.408 ( -2.041 -0.107 0.000) 2.044 7.422 ( -3.860 -8.653 0.000) 9.475 7.440 ( 3.695 -5.895 0.000) 6.958 7.523 ( 1.513 -11.911 0.000) 12.006 8.269 ( 2.004 11.902 0.000) 12.070 8.371 ( 1.779 6.325 0.000) 6.571 8.663 ( -7.762 12.298 0.000) 14.543 8.779 ( -5.559 5.513 0.000) 7.830 9.067 ( 7.141 18.722 0.000) 20.037 9.247 ( 4.094 10.735 0.000) 11.489 9.351 ( -1.670 17.736 0.000) 17.815 9.462 ( -1.310 15.556 0.000) 15.611 9.542 ( 3.709 22.464 0.000) 22.769 9.774 ( -0.877 20.741 0.000) 20.760 9.906 ( -0.922 9.451 0.000) 9.496 9.948 ( -2.814 12.401 0.000) 12.716 11.708 ( -0.436 1.182 0.000) 1.260 11.928 ( 8.104 -8.301 0.000) 11.601 12.023 ( -5.999 0.409 0.000) 6.012 12.256 ( 3.047 -9.059 0.000) 9.557 13.377 ( 4.232 8.430 0.000) 9.433 13.486 ( 2.386 6.130 0.000) 6.578 13.689 ( -5.550 2.991 0.000) 6.305 13.722 ( -1.689 9.100 0.000) 9.256 13.825 ( -0.416 -8.247 0.000) 8.258 13.997 ( -0.463 5.970 0.000) 5.988 14.082 ( -0.353 7.342 0.000) 7.350 14.086 ( 2.616 -4.015 0.000) 4.792 14.321 ( -2.672 -13.396 0.000) 13.660 14.407 ( -5.380 -7.072 0.000) 8.886 14.505 ( 2.170 -12.100 0.000) 12.294 14.617 ( 0.078 -14.268 0.000) 14.269 14.970 ( -1.131 5.543 0.000) 5.657 15.101 ( -3.478 4.483 0.000) 5.674 15.181 ( -0.673 -1.225 0.000) 1.397 15.283 ( -8.921 -3.485 0.000) 9.578 15.299 ( 0.201 5.234 0.000) 5.238 15.316 ( -5.470 1.127 0.000) 5.584 15.494 ( 1.763 -5.539 0.000) 5.812 15.560 ( 2.565 -4.734 0.000) 5.385 15.674 ( -1.335 -0.257 0.000) 1.359 15.722 ( -3.662 4.010 0.000) 5.430 15.727 ( 1.252 -0.915 0.000) 1.551 15.826 ( -0.952 -0.407 0.000) 1.036 16.121 ( 1.056 4.758 0.000) 4.874 16.175 ( 5.768 1.438 0.000) 5.945 16.221 ( 1.486 -0.434 0.000) 1.548 16.253 ( 4.334 -0.195 0.000) 4.339 16.366 ( 3.535 -3.329 0.000) 4.856 16.426 ( 1.723 -3.499 0.000) 3.900 16.500 ( 0.166 -7.216 0.000) 7.218 16.534 ( 0.647 -7.596 0.000) 7.623 17.696 ( 0.063 -4.295 0.000) 4.295 17.718 ( -0.249 -4.223 0.000) 4.230 17.812 ( 0.082 -8.346 0.000) 8.347 17.831 ( -0.264 -10.802 0.000) 10.805 18.512 ( 0.299 -3.084 0.000) 3.099 18.534 ( 0.809 -4.267 0.000) 4.343 18.582 ( -0.734 -1.887 0.000) 2.025 18.632 ( -0.908 -4.084 0.000) 4.184 ======================= Grid point 51 (31/108) ======================= q-point: ( 0.33 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.337 ( 3.936 11.101 0.000) 11.778 4.518 ( -5.151 4.854 0.000) 7.077 4.599 ( 1.401 -2.549 0.000) 2.909 4.664 ( -1.493 -2.507 0.000) 2.918 5.356 ( 2.784 14.929 0.000) 15.186 5.454 ( -2.014 7.303 0.000) 7.576 5.488 ( 1.210 5.841 0.000) 5.965 5.561 ( -2.017 0.410 0.000) 2.059 5.641 ( 2.544 13.593 0.000) 13.829 5.750 ( -2.227 11.092 0.000) 11.313 6.044 ( -1.803 0.545 0.000) 1.883 6.058 ( -3.066 3.715 0.000) 4.817 6.234 ( 2.005 12.525 0.000) 12.684 6.301 ( -1.632 14.271 0.000) 14.364 6.366 ( 2.219 7.450 0.000) 7.773 6.438 ( 0.395 8.097 0.000) 8.106 6.513 ( -0.067 11.546 0.000) 11.546 6.536 ( -2.636 11.358 0.000) 11.660 6.663 ( 5.215 3.616 0.000) 6.346 6.808 ( 0.221 -4.732 0.000) 4.738 6.878 ( 4.096 -0.809 0.000) 4.175 7.001 ( 1.134 -0.754 0.000) 1.362 7.155 ( 5.867 -2.077 0.000) 6.223 7.281 ( 0.408 -2.571 0.000) 2.603 7.339 ( -4.501 -8.006 0.000) 9.185 7.363 ( -2.938 -0.917 0.000) 3.077 7.503 ( 2.796 -6.786 0.000) 7.339 7.542 ( 0.504 -10.213 0.000) 10.225 8.324 ( 3.828 11.316 0.000) 11.945 8.423 ( 3.925 5.751 0.000) 6.963 8.525 ( -6.865 11.552 0.000) 13.438 8.649 ( -7.483 4.709 0.000) 8.841 9.207 ( 7.234 18.727 0.000) 20.076 9.310 ( 2.245 13.828 0.000) 14.009 9.327 ( -0.789 17.703 0.000) 17.721 9.420 ( -3.254 16.925 0.000) 17.235 9.622 ( 4.515 19.945 0.000) 20.449 9.753 ( -1.541 18.990 0.000) 19.053 9.884 ( -1.227 10.827 0.000) 10.896 9.889 ( -2.770 12.704 0.000) 13.003 11.727 ( 2.498 4.368 0.000) 5.032 11.904 ( -6.350 4.125 0.000) 7.572 12.099 ( 9.365 -11.632 0.000) 14.933 12.293 ( 0.277 -12.607 0.000) 12.610 13.438 ( 1.484 4.540 0.000) 4.776 13.509 ( -1.748 4.212 0.000) 4.560 13.610 ( -0.819 0.916 0.000) 1.229 13.675 ( -2.770 2.153 0.000) 3.508 13.874 ( 6.403 0.183 0.000) 6.406 13.994 ( 0.701 6.776 0.000) 6.812 14.068 ( -1.305 7.509 0.000) 7.621 14.123 ( 0.234 -2.379 0.000) 2.390 14.273 ( -2.419 -8.640 0.000) 8.973 14.287 ( -6.422 -4.336 0.000) 7.749 14.543 ( 1.958 -12.819 0.000) 12.968 14.608 ( -1.094 -13.962 0.000) 14.004 14.950 ( -0.715 3.005 0.000) 3.089 15.020 ( -4.568 2.295 0.000) 5.112 15.114 ( -5.251 -3.885 0.000) 6.532 15.124 ( -6.545 -2.924 0.000) 7.168 15.272 ( 0.581 5.202 0.000) 5.234 15.306 ( -0.095 5.885 0.000) 5.886 15.521 ( 1.445 -6.804 0.000) 6.955 15.576 ( -0.552 -5.561 0.000) 5.589 15.656 ( -0.264 1.596 0.000) 1.617 15.679 ( -1.205 3.148 0.000) 3.371 15.765 ( 2.398 -4.253 0.000) 4.883 15.812 ( -0.522 -2.715 0.000) 2.764 16.142 ( 1.472 7.259 0.000) 7.407 16.216 ( -1.084 2.698 0.000) 2.908 16.272 ( 3.299 4.899 0.000) 5.907 16.318 ( 1.672 1.125 0.000) 2.015 16.440 ( 3.965 -4.212 0.000) 5.784 16.470 ( 2.463 -6.186 0.000) 6.658 16.516 ( 1.480 -8.744 0.000) 8.869 16.547 ( 0.479 -8.093 0.000) 8.107 17.698 ( 0.219 -4.235 0.000) 4.241 17.712 ( -0.411 -4.175 0.000) 4.195 17.815 ( 0.169 -8.759 0.000) 8.760 17.825 ( -0.353 -10.179 0.000) 10.185 18.522 ( 0.804 -2.786 0.000) 2.900 18.554 ( 1.288 -4.249 0.000) 4.440 18.564 ( -1.173 -2.117 0.000) 2.420 18.609 ( -1.457 -4.111 0.000) 4.361 ======================= Grid point 52 (32/108) ======================= q-point: (-0.50 0.44 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.422 ( -5.002 8.018 0.000) 9.450 4.422 ( 5.002 8.018 0.000) 9.450 4.631 ( -1.886 -2.724 0.000) 3.313 4.631 ( 1.886 -2.724 0.000) 3.313 5.409 ( -2.743 10.362 0.000) 10.719 5.409 ( 2.743 10.362 0.000) 10.719 5.520 ( -2.102 3.563 0.000) 4.137 5.520 ( 2.102 3.563 0.000) 4.137 5.698 ( -3.269 12.367 0.000) 12.792 5.698 ( 3.269 12.367 0.000) 12.792 6.027 ( -0.188 1.760 0.000) 1.770 6.027 ( 0.188 1.760 0.000) 1.770 6.267 ( -1.815 14.250 0.000) 14.365 6.267 ( 1.815 14.250 0.000) 14.365 6.419 ( -2.572 5.919 0.000) 6.454 6.419 ( 2.572 5.919 0.000) 6.454 6.509 ( -0.030 14.735 0.000) 14.735 6.509 ( 0.030 14.735 0.000) 14.735 6.760 ( -4.395 -1.052 0.000) 4.519 6.760 ( 4.395 -1.052 0.000) 4.519 6.968 ( -4.147 -0.438 0.000) 4.170 6.968 ( 4.147 -0.438 0.000) 4.170 7.255 ( -4.672 -7.068 0.000) 8.472 7.255 ( 4.672 -7.068 0.000) 8.472 7.310 ( -2.506 -1.024 0.000) 2.707 7.310 ( 2.506 -1.024 0.000) 2.707 7.539 ( -1.013 -8.298 0.000) 8.359 7.539 ( 1.013 -8.298 0.000) 8.359 8.411 ( -5.401 11.046 0.000) 12.296 8.411 ( 5.401 11.046 0.000) 12.296 8.518 ( -6.242 5.081 0.000) 8.049 8.518 ( 6.242 5.081 0.000) 8.049 9.311 ( -2.361 16.744 0.000) 16.909 9.311 ( 2.361 16.744 0.000) 16.909 9.346 ( -3.497 17.677 0.000) 18.019 9.346 ( 3.497 17.677 0.000) 18.019 9.703 ( -3.879 18.487 0.000) 18.890 9.703 ( 3.879 18.487 0.000) 18.890 9.867 ( -0.315 12.250 0.000) 12.254 9.867 ( 0.315 12.250 0.000) 12.254 11.797 ( -4.906 5.608 0.000) 7.451 11.797 ( 4.906 5.608 0.000) 7.451 12.246 ( -5.579 -13.755 0.000) 14.844 12.246 ( 5.579 -13.755 0.000) 14.844 13.458 ( -1.884 4.036 0.000) 4.454 13.458 ( 1.884 4.036 0.000) 4.454 13.633 ( -1.881 -0.368 0.000) 1.917 13.633 ( 1.881 -0.368 0.000) 1.917 14.020 ( -1.991 3.161 0.000) 3.736 14.020 ( 1.991 3.161 0.000) 3.736 14.043 ( -4.376 3.656 0.000) 5.702 14.043 ( 4.376 3.656 0.000) 5.702 14.237 ( -0.896 -3.630 0.000) 3.739 14.237 ( 0.896 -3.630 0.000) 3.739 14.579 ( -1.864 -13.417 0.000) 13.546 14.579 ( 1.864 -13.417 0.000) 13.546 14.957 ( -1.812 1.537 0.000) 2.376 14.957 ( 1.812 1.537 0.000) 2.376 15.059 ( -0.186 -3.536 0.000) 3.541 15.059 ( 0.186 -3.536 0.000) 3.541 15.293 ( -1.184 5.801 0.000) 5.921 15.293 ( 1.184 5.801 0.000) 5.921 15.552 ( -1.709 -6.195 0.000) 6.427 15.552 ( 1.709 -6.195 0.000) 6.427 15.663 ( -0.716 2.179 0.000) 2.293 15.663 ( 0.716 2.179 0.000) 2.293 15.799 ( -1.114 -4.684 0.000) 4.815 15.799 ( 1.114 -4.684 0.000) 4.815 16.179 ( -2.326 6.275 0.000) 6.692 16.179 ( 2.326 6.275 0.000) 6.692 16.316 ( -1.448 3.920 0.000) 4.179 16.316 ( 1.448 3.920 0.000) 4.179 16.490 ( -0.845 -6.086 0.000) 6.144 16.490 ( 0.845 -6.086 0.000) 6.144 16.542 ( -1.002 -8.627 0.000) 8.685 16.542 ( 1.002 -8.627 0.000) 8.685 17.704 ( -0.392 -4.177 0.000) 4.195 17.704 ( 0.392 -4.177 0.000) 4.195 17.819 ( -0.278 -9.415 0.000) 9.419 17.819 ( 0.278 -9.415 0.000) 9.419 18.541 ( -1.173 -2.437 0.000) 2.704 18.541 ( 1.173 -2.437 0.000) 2.704 18.580 ( -1.541 -4.181 0.000) 4.456 18.580 ( 1.541 -4.181 0.000) 4.456 ======================= Grid point 56 (33/108) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.476 ( 0.000 -7.659 0.000) 7.659 4.476 ( 0.000 7.659 0.000) 7.659 4.658 ( 0.000 -0.062 0.000) 0.062 4.658 ( 0.000 0.062 0.000) 0.062 5.532 ( 0.000 -4.886 0.000) 4.886 5.532 ( 0.000 4.886 0.000) 4.886 5.534 ( 0.000 -0.262 0.000) 0.262 5.534 ( 0.000 0.262 0.000) 0.262 5.922 ( 0.000 -16.456 0.000) 16.456 5.922 ( 0.000 16.456 0.000) 16.456 6.076 ( 0.000 -11.570 0.000) 11.570 6.076 ( 0.000 11.570 0.000) 11.570 6.287 ( 0.000 -5.388 0.000) 5.388 6.287 ( 0.000 5.388 0.000) 5.388 6.474 ( 0.000 -2.677 0.000) 2.677 6.474 ( 0.000 2.677 0.000) 2.677 6.672 ( 0.000 -8.677 0.000) 8.677 6.672 ( 0.000 8.677 0.000) 8.677 6.684 ( 0.000 -8.961 0.000) 8.961 6.684 ( 0.000 8.961 0.000) 8.961 6.917 ( 0.000 -14.073 0.000) 14.073 6.917 ( 0.000 14.073 0.000) 14.073 7.104 ( 0.000 -18.208 0.000) 18.208 7.104 ( 0.000 18.208 0.000) 18.208 7.307 ( 0.000 -0.383 0.000) 0.383 7.307 ( 0.000 0.383 0.000) 0.383 7.444 ( 0.000 -1.544 0.000) 1.544 7.444 ( 0.000 1.544 0.000) 1.544 8.395 ( 0.000 -2.495 0.000) 2.495 8.395 ( 0.000 2.495 0.000) 2.495 8.890 ( 0.000 -0.649 0.000) 0.649 8.890 ( 0.000 0.649 0.000) 0.649 9.236 ( 0.000 -5.733 0.000) 5.733 9.236 ( 0.000 5.733 0.000) 5.733 9.566 ( 0.000 -2.205 0.000) 2.205 9.566 ( 0.000 2.205 0.000) 2.205 9.903 ( 0.000 -10.525 0.000) 10.525 9.903 ( 0.000 10.525 0.000) 10.525 10.054 ( 0.000 -4.893 0.000) 4.893 10.054 ( 0.000 4.893 0.000) 4.893 11.744 ( 0.000 -2.980 0.000) 2.980 11.744 ( 0.000 2.980 0.000) 2.980 12.106 ( 0.000 -3.576 0.000) 3.576 12.106 ( 0.000 3.576 0.000) 3.576 13.574 ( 0.000 -12.965 0.000) 12.965 13.574 ( 0.000 12.965 0.000) 12.965 13.646 ( 0.000 -10.063 0.000) 10.063 13.646 ( 0.000 10.063 0.000) 10.063 14.029 ( 0.000 -16.008 0.000) 16.008 14.029 ( 0.000 16.008 0.000) 16.008 14.094 ( 0.000 -0.872 0.000) 0.872 14.094 ( 0.000 0.872 0.000) 0.872 14.259 ( 0.000 -10.026 0.000) 10.026 14.259 ( 0.000 10.026 0.000) 10.026 14.379 ( 0.000 -4.096 0.000) 4.096 14.379 ( 0.000 4.096 0.000) 4.096 15.119 ( 0.000 -5.971 0.000) 5.971 15.119 ( 0.000 5.971 0.000) 5.971 15.264 ( 0.000 -6.981 0.000) 6.981 15.264 ( 0.000 6.981 0.000) 6.981 15.400 ( 0.000 -2.384 0.000) 2.384 15.400 ( 0.000 2.384 0.000) 2.384 15.406 ( 0.000 -6.032 0.000) 6.032 15.406 ( 0.000 6.032 0.000) 6.032 15.711 ( 0.000 -1.566 0.000) 1.566 15.711 ( 0.000 1.566 0.000) 1.566 15.838 ( 0.000 -1.330 0.000) 1.330 15.838 ( 0.000 1.330 0.000) 1.330 16.127 ( 0.000 -2.813 0.000) 2.813 16.127 ( 0.000 2.813 0.000) 2.813 16.162 ( 0.000 -3.713 0.000) 3.713 16.162 ( 0.000 3.713 0.000) 3.713 16.373 ( 0.000 -5.554 0.000) 5.554 16.373 ( 0.000 5.554 0.000) 5.554 16.423 ( 0.000 -2.986 0.000) 2.986 16.423 ( 0.000 2.986 0.000) 2.986 17.683 ( 0.000 -3.499 0.000) 3.499 17.683 ( 0.000 3.499 0.000) 3.499 17.699 ( 0.000 -2.426 0.000) 2.426 17.699 ( 0.000 2.426 0.000) 2.426 18.479 ( 0.000 -0.310 0.000) 0.310 18.479 ( 0.000 0.310 0.000) 0.310 18.585 ( 0.000 -1.348 0.000) 1.348 18.585 ( 0.000 1.348 0.000) 1.348 ======================= Grid point 58 (34/108) ======================= q-point: ( 0.17 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( 0.895 -7.302 0.000) 7.357 4.485 ( 0.895 7.302 0.000) 7.357 4.642 ( -1.633 -1.851 0.000) 2.468 4.642 ( -1.633 1.851 0.000) 2.468 5.528 ( -0.370 -4.842 0.000) 4.856 5.528 ( -0.370 4.842 0.000) 4.856 5.533 ( -0.151 -0.088 0.000) 0.175 5.533 ( -0.151 0.088 0.000) 0.175 5.919 ( -0.187 -14.860 0.000) 14.861 5.919 ( -0.187 14.860 0.000) 14.861 6.037 ( -3.343 -11.228 0.000) 11.715 6.037 ( -3.343 11.228 0.000) 11.715 6.328 ( 3.572 -5.280 0.000) 6.375 6.328 ( 3.572 5.280 0.000) 6.375 6.489 ( 1.042 -2.382 0.000) 2.600 6.489 ( 1.042 2.382 0.000) 2.600 6.673 ( 0.463 -6.822 0.000) 6.837 6.673 ( 0.463 6.822 0.000) 6.837 6.702 ( 1.683 -8.642 0.000) 8.805 6.702 ( 1.683 8.642 0.000) 8.805 6.930 ( 1.363 -13.663 0.000) 13.731 6.930 ( 1.363 13.663 0.000) 13.731 7.107 ( 0.047 -16.058 0.000) 16.058 7.107 ( 0.047 16.058 0.000) 16.058 7.322 ( 1.545 -4.832 0.000) 5.073 7.322 ( 1.545 4.832 0.000) 5.073 7.432 ( -1.191 -2.130 0.000) 2.441 7.432 ( -1.191 2.130 0.000) 2.441 8.410 ( 1.623 -2.412 0.000) 2.907 8.410 ( 1.623 2.412 0.000) 2.907 8.808 ( -7.121 -2.632 0.000) 7.592 8.808 ( -7.121 2.632 0.000) 7.592 9.312 ( 6.373 -4.728 0.000) 7.935 9.312 ( 6.373 4.728 0.000) 7.935 9.561 ( -0.555 -2.995 0.000) 3.046 9.561 ( -0.555 2.995 0.000) 3.046 9.908 ( 0.538 -9.626 0.000) 9.641 9.908 ( 0.538 9.626 0.000) 9.641 10.032 ( -2.173 -4.411 0.000) 4.917 10.032 ( -2.173 4.411 0.000) 4.917 11.782 ( 3.898 -5.875 0.000) 7.050 11.782 ( 3.898 5.875 0.000) 7.050 12.093 ( -1.349 -6.346 0.000) 6.488 12.093 ( -1.349 6.346 0.000) 6.488 13.579 ( 0.163 -11.090 0.000) 11.091 13.579 ( 0.163 11.090 0.000) 11.091 13.628 ( -1.812 -7.171 0.000) 7.397 13.628 ( -1.812 7.171 0.000) 7.397 14.021 ( -0.267 -15.048 0.000) 15.050 14.021 ( -0.267 15.048 0.000) 15.050 14.095 ( 0.175 -2.597 0.000) 2.603 14.095 ( 0.175 2.597 0.000) 2.603 14.272 ( 1.136 -10.632 0.000) 10.693 14.272 ( 1.136 10.632 0.000) 10.693 14.365 ( -1.316 -7.255 0.000) 7.373 14.365 ( -1.316 7.255 0.000) 7.373 15.096 ( -2.720 -6.154 0.000) 6.728 15.096 ( -2.720 6.154 0.000) 6.728 15.194 ( -6.384 -4.731 0.000) 7.945 15.194 ( -6.384 4.731 0.000) 7.945 15.385 ( -0.875 -4.935 0.000) 5.012 15.385 ( -0.875 4.935 0.000) 5.012 15.426 ( 1.353 -6.993 0.000) 7.123 15.426 ( 1.353 6.993 0.000) 7.123 15.704 ( -0.542 -1.802 0.000) 1.882 15.704 ( -0.542 1.802 0.000) 1.882 15.794 ( -3.217 -2.798 0.000) 4.263 15.794 ( -3.217 2.798 0.000) 4.263 16.204 ( 6.253 -1.746 0.000) 6.493 16.204 ( 6.253 1.746 0.000) 6.493 16.211 ( 4.458 -3.818 0.000) 5.870 16.211 ( 4.458 3.818 0.000) 5.870 16.377 ( 0.438 -4.278 0.000) 4.300 16.377 ( 0.438 4.278 0.000) 4.300 16.420 ( -0.268 -3.272 0.000) 3.283 16.420 ( -0.268 3.272 0.000) 3.283 17.684 ( 0.041 -3.439 0.000) 3.439 17.684 ( 0.041 3.439 0.000) 3.439 17.698 ( -0.134 -2.502 0.000) 2.505 17.698 ( -0.134 2.502 0.000) 2.505 18.485 ( 0.613 -0.512 0.000) 0.799 18.485 ( 0.613 0.512 0.000) 0.799 18.576 ( -0.870 -1.305 0.000) 1.569 18.576 ( -0.870 1.305 0.000) 1.569 ======================= Grid point 60 (35/108) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.510 ( 1.805 -6.375 0.000) 6.626 4.510 ( 1.805 6.375 0.000) 6.626 4.601 ( -2.620 -3.619 0.000) 4.468 4.601 ( -2.620 3.619 0.000) 4.468 5.522 ( -0.122 -4.063 0.000) 4.065 5.522 ( -0.122 4.063 0.000) 4.065 5.529 ( -0.275 -1.093 0.000) 1.127 5.529 ( -0.275 1.093 0.000) 1.127 5.920 ( 0.377 -11.849 0.000) 11.855 5.920 ( 0.377 11.849 0.000) 11.855 5.976 ( -2.818 -9.777 0.000) 10.175 5.976 ( -2.818 9.777 0.000) 10.175 6.397 ( 3.527 -3.683 0.000) 5.099 6.397 ( 3.527 3.683 0.000) 5.099 6.491 ( -1.044 -2.889 0.000) 3.072 6.491 ( -1.044 2.889 0.000) 3.072 6.699 ( 2.155 -3.574 0.000) 4.173 6.699 ( 2.155 3.574 0.000) 4.173 6.734 ( 1.281 -6.971 0.000) 7.088 6.734 ( 1.281 6.971 0.000) 7.088 6.968 ( 2.753 -11.945 0.000) 12.258 6.968 ( 2.753 11.945 0.000) 12.258 7.090 ( -2.103 -11.517 0.000) 11.708 7.090 ( -2.103 11.517 0.000) 11.708 7.357 ( 1.985 -6.945 0.000) 7.223 7.357 ( 1.985 6.945 0.000) 7.224 7.409 ( -1.117 -4.108 0.000) 4.257 7.409 ( -1.117 4.108 0.000) 4.257 8.458 ( 3.553 -2.334 0.000) 4.251 8.458 ( 3.553 2.334 0.000) 4.251 8.668 ( -7.391 -2.939 0.000) 7.954 8.668 ( -7.391 2.939 0.000) 7.954 9.428 ( 5.447 -2.653 0.000) 6.059 9.428 ( 5.447 2.653 0.000) 6.059 9.544 ( -1.354 -3.148 0.000) 3.427 9.544 ( -1.354 3.148 0.000) 3.427 9.922 ( 0.983 -7.356 0.000) 7.421 9.922 ( 0.983 7.356 0.000) 7.421 9.985 ( -2.521 -3.509 0.000) 4.321 9.985 ( -2.521 3.509 0.000) 4.321 11.876 ( 5.713 -9.889 0.000) 11.420 11.876 ( 5.713 9.889 0.000) 11.420 12.053 ( -3.022 -10.343 0.000) 10.775 12.053 ( -3.022 10.343 0.000) 10.775 13.571 ( -0.858 -7.923 0.000) 7.969 13.571 ( -0.858 7.923 0.000) 7.969 13.588 ( -2.150 -3.066 0.000) 3.745 13.588 ( -2.150 3.066 0.000) 3.745 14.038 ( 2.176 -11.207 0.000) 11.416 14.038 ( 2.176 11.207 0.000) 11.416 14.099 ( 0.009 -2.741 0.000) 2.741 14.099 ( 0.009 2.741 0.000) 2.741 14.292 ( 0.952 -11.394 0.000) 11.433 14.292 ( 0.952 11.394 0.000) 11.433 14.335 ( -1.707 -10.997 0.000) 11.129 14.335 ( -1.707 10.997 0.000) 11.129 15.027 ( -3.661 -4.435 0.000) 5.750 15.027 ( -3.661 4.435 0.000) 5.750 15.068 ( -6.066 -2.573 0.000) 6.589 15.068 ( -6.066 2.573 0.000) 6.589 15.389 ( 1.306 -6.309 0.000) 6.443 15.389 ( 1.306 6.309 0.000) 6.443 15.439 ( -0.142 -7.142 0.000) 7.143 15.439 ( -0.142 7.142 0.000) 7.144 15.701 ( 0.341 -2.596 0.000) 2.618 15.701 ( 0.341 2.596 0.000) 2.618 15.745 ( -1.973 -3.505 0.000) 4.022 15.745 ( -1.973 3.505 0.000) 4.022 16.292 ( 3.486 -6.269 0.000) 7.174 16.292 ( 3.486 6.269 0.000) 7.174 16.303 ( 3.546 -4.823 0.000) 5.986 16.303 ( 3.546 4.823 0.000) 5.986 16.392 ( 1.172 -1.229 0.000) 1.698 16.392 ( 1.172 1.229 0.000) 1.698 16.416 ( -0.083 -4.479 0.000) 4.480 16.416 ( -0.083 4.479 0.000) 4.480 17.686 ( 0.155 -3.261 0.000) 3.265 17.686 ( 0.155 3.261 0.000) 3.265 17.694 ( -0.247 -2.712 0.000) 2.723 17.694 ( -0.247 2.712 0.000) 2.723 18.502 ( 1.147 -0.804 0.000) 1.401 18.502 ( 1.147 0.804 0.000) 1.401 18.554 ( -1.408 -1.193 0.000) 1.845 18.554 ( -1.408 1.193 0.000) 1.845 ======================= Grid point 62 (36/108) ======================= q-point: (-0.50 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.551 ( -2.560 -5.127 0.000) 5.731 4.551 ( 2.560 -5.127 0.000) 5.731 4.551 ( -2.560 5.127 0.000) 5.731 4.551 ( 2.560 5.127 0.000) 5.731 5.524 ( -0.225 -2.571 0.000) 2.581 5.524 ( 0.225 -2.571 0.000) 2.581 5.524 ( -0.225 2.571 0.000) 2.581 5.524 ( 0.225 2.571 0.000) 2.581 5.937 ( -1.463 -9.660 0.000) 9.770 5.937 ( 1.463 -9.660 0.000) 9.770 5.937 ( -1.463 9.660 0.000) 9.770 5.937 ( 1.463 9.660 0.000) 9.770 6.455 ( -2.625 -3.297 0.000) 4.214 6.455 ( 2.625 -3.297 0.000) 4.214 6.455 ( -2.625 3.297 0.000) 4.214 6.455 ( 2.625 3.297 0.000) 4.214 6.735 ( -1.210 -4.325 0.000) 4.491 6.735 ( 1.210 -4.325 0.000) 4.491 6.735 ( -1.210 4.325 0.000) 4.491 6.735 ( 1.210 4.325 0.000) 4.491 7.032 ( -3.764 -9.500 0.000) 10.219 7.032 ( 3.764 -9.500 0.000) 10.219 7.032 ( -3.764 9.500 0.000) 10.219 7.032 ( 3.764 9.500 0.000) 10.219 7.388 ( -1.275 -6.276 0.000) 6.404 7.388 ( 1.275 -6.276 0.000) 6.404 7.388 ( -1.275 6.276 0.000) 6.404 7.388 ( 1.275 6.276 0.000) 6.404 8.544 ( -5.699 -2.567 0.000) 6.251 8.544 ( -5.699 2.567 0.000) 6.251 8.544 ( 5.699 -2.567 0.000) 6.251 8.544 ( 5.699 2.567 0.000) 6.251 9.505 ( -2.938 -1.616 0.000) 3.354 9.505 ( 2.939 -1.616 0.000) 3.354 9.505 ( -2.938 1.616 0.000) 3.354 9.505 ( 2.939 1.616 0.000) 3.354 9.946 ( -1.610 -4.603 0.000) 4.876 9.946 ( 1.610 -4.603 0.000) 4.876 9.946 ( -1.610 4.603 0.000) 4.876 9.946 ( 1.610 4.603 0.000) 4.876 11.979 ( -4.966 -11.900 0.000) 12.895 11.979 ( 4.966 -11.900 0.000) 12.895 11.979 ( -4.966 11.900 0.000) 12.895 11.979 ( 4.966 11.900 0.000) 12.895 13.562 ( -0.326 -5.516 0.000) 5.526 13.562 ( 0.326 -5.516 0.000) 5.526 13.562 ( -0.326 5.516 0.000) 5.526 13.562 ( 0.326 5.516 0.000) 5.526 14.083 ( -1.922 -3.800 0.000) 4.259 14.083 ( 1.922 -3.800 0.000) 4.259 14.083 ( -1.922 3.800 0.000) 4.259 14.083 ( 1.922 3.800 0.000) 4.259 14.309 ( -1.039 -12.026 0.000) 12.071 14.309 ( 1.039 -12.026 0.000) 12.071 14.309 ( -1.039 12.026 0.000) 12.071 14.309 ( 1.039 12.026 0.000) 12.071 14.997 ( -1.072 -2.531 0.000) 2.749 14.997 ( 1.072 -2.531 0.000) 2.749 14.997 ( -1.072 2.531 0.000) 2.749 14.997 ( 1.072 2.531 0.000) 2.749 15.421 ( -1.655 -6.659 0.000) 6.862 15.421 ( 1.655 -6.659 0.000) 6.862 15.421 ( -1.655 6.659 0.000) 6.862 15.421 ( 1.655 6.659 0.000) 6.862 15.716 ( -1.222 -3.352 0.000) 3.568 15.716 ( 1.222 -3.352 0.000) 3.568 15.716 ( -1.222 3.352 0.000) 3.568 15.716 ( 1.222 3.352 0.000) 3.568 16.329 ( -0.478 -7.826 0.000) 7.841 16.329 ( 0.478 -7.826 0.000) 7.841 16.329 ( -0.478 7.826 0.000) 7.841 16.329 ( 0.478 7.826 0.000) 7.841 16.412 ( -0.621 -4.473 0.000) 4.516 16.412 ( 0.621 -4.473 0.000) 4.516 16.412 ( -0.621 4.473 0.000) 4.516 16.412 ( 0.621 4.473 0.000) 4.516 17.690 ( -0.262 -2.995 0.000) 3.006 17.690 ( 0.262 -2.995 0.000) 3.006 17.690 ( -0.262 2.995 0.000) 3.006 17.690 ( 0.262 2.995 0.000) 3.006 18.527 ( -1.471 -1.029 0.000) 1.796 18.527 ( 1.471 -1.029 0.000) 1.796 18.527 ( -1.471 1.029 0.000) 1.796 18.527 ( 1.471 1.029 0.000) 1.796 ======================= Grid point 119 (37/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 0.000 0.000 27.548) 27.548 0.720 ( 0.000 0.000 38.478) 38.478 1.278 ( 0.000 0.000 67.646) 67.646 2.248 ( 0.000 0.000 -34.975) 34.975 2.771 ( 0.000 0.000 -28.893) 28.893 2.989 ( 0.000 0.000 13.815) 13.815 3.125 ( 0.000 0.000 6.787) 6.787 3.569 ( 0.000 0.000 31.670) 31.670 3.971 ( 0.000 0.000 -2.068) 2.068 4.053 ( 0.000 0.000 -16.786) 16.786 4.059 ( 0.000 0.000 -7.798) 7.798 4.319 ( 0.000 0.000 -6.213) 6.213 4.376 ( 0.000 0.000 24.733) 24.733 4.433 ( 0.000 0.000 -8.362) 8.362 4.502 ( 0.000 0.000 2.431) 2.431 4.747 ( 0.000 0.000 -5.079) 5.079 4.989 ( 0.000 0.000 4.629) 4.629 5.175 ( 0.000 0.000 -1.863) 1.863 5.271 ( 0.000 0.000 -27.354) 27.354 5.324 ( 0.000 0.000 -21.513) 21.513 5.359 ( 0.000 0.000 -0.391) 0.391 5.492 ( 0.000 0.000 3.375) 3.375 5.812 ( 0.000 0.000 6.729) 6.729 5.872 ( 0.000 0.000 4.591) 4.591 5.873 ( 0.000 0.000 14.042) 14.042 6.264 ( 0.000 0.000 -19.419) 19.419 6.481 ( 0.000 0.000 -6.858) 6.858 6.562 ( 0.000 0.000 -4.416) 4.416 6.804 ( 0.000 0.000 29.282) 29.282 6.967 ( 0.000 0.000 3.928) 3.928 7.536 ( 0.000 0.000 -1.550) 1.550 7.564 ( 0.000 0.000 -8.935) 8.935 7.697 ( 0.000 0.000 -3.927) 3.927 7.810 ( 0.000 0.000 -2.253) 2.253 8.058 ( 0.000 0.000 6.464) 6.464 8.069 ( 0.000 0.000 7.827) 7.827 8.296 ( 0.000 0.000 8.156) 8.156 8.452 ( 0.000 0.000 -0.173) 0.173 8.499 ( 0.000 0.000 -1.894) 1.894 9.121 ( 0.000 0.000 -6.654) 6.654 11.700 ( 0.000 0.000 6.956) 6.956 12.428 ( 0.000 0.000 -12.916) 12.916 13.293 ( 0.000 0.000 6.194) 6.194 13.411 ( 0.000 0.000 1.061) 1.061 13.885 ( 0.000 0.000 0.444) 0.444 13.917 ( 0.000 0.000 -0.498) 0.498 14.082 ( 0.000 0.000 3.166) 3.166 14.263 ( 0.000 0.000 -3.006) 3.006 14.278 ( 0.000 0.000 -3.002) 3.002 14.329 ( 0.000 0.000 -3.294) 3.294 14.466 ( 0.000 0.000 -1.198) 1.198 14.500 ( 0.000 0.000 -2.502) 2.502 14.618 ( 0.000 0.000 3.607) 3.607 14.621 ( 0.000 0.000 -0.422) 0.422 14.627 ( 0.000 0.000 -0.144) 0.144 14.684 ( 0.000 0.000 1.345) 1.345 14.973 ( 0.000 0.000 2.975) 2.975 15.023 ( 0.000 0.000 1.553) 1.553 15.080 ( 0.000 0.000 2.239) 2.239 15.217 ( 0.000 0.000 -0.708) 0.708 15.262 ( 0.000 0.000 -0.711) 0.711 15.282 ( 0.000 0.000 -0.457) 0.457 15.806 ( 0.000 0.000 0.200) 0.200 15.816 ( 0.000 0.000 -0.067) 0.067 15.849 ( 0.000 0.000 1.613) 1.613 15.878 ( 0.000 0.000 0.837) 0.837 15.971 ( 0.000 0.000 -1.594) 1.594 15.979 ( 0.000 0.000 -1.885) 1.885 16.106 ( 0.000 0.000 3.096) 3.096 16.324 ( 0.000 0.000 -2.545) 2.545 16.495 ( 0.000 0.000 0.536) 0.536 16.534 ( 0.000 0.000 -0.499) 0.499 16.792 ( 0.000 0.000 -2.007) 2.007 16.797 ( 0.000 0.000 -1.299) 1.299 17.027 ( 0.000 0.000 2.669) 2.669 17.097 ( 0.000 0.000 0.267) 0.267 17.910 ( 0.000 0.000 0.664) 0.664 17.944 ( 0.000 0.000 2.286) 2.286 17.993 ( 0.000 0.000 -0.565) 0.565 18.181 ( 0.000 0.000 -2.719) 2.719 19.100 ( 0.000 0.000 0.330) 0.330 19.135 ( 0.000 0.000 -0.481) 0.481 19.357 ( 0.000 0.000 2.023) 2.023 19.494 ( 0.000 0.000 -1.409) 1.409 ======================= Grid point 120 (38/108) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 20.207 0.000 29.833) 36.032 0.951 ( 27.959 0.000 22.066) 35.618 1.623 ( 37.403 0.000 48.336) 61.117 2.394 ( 13.987 0.000 -31.986) 34.910 2.793 ( -18.147 0.000 14.135) 23.002 2.799 ( -0.862 0.000 -17.865) 17.886 2.950 ( -12.887 0.000 -2.518) 13.131 3.561 ( -3.131 0.000 16.938) 17.225 3.862 ( -15.799 0.000 -14.226) 21.260 3.902 ( -1.195 0.000 4.079) 4.250 4.113 ( 4.027 0.000 -0.927) 4.132 4.460 ( 5.586 0.000 19.158) 19.956 4.472 ( 4.068 0.000 -4.811) 6.300 4.522 ( 12.161 0.000 -4.298) 12.899 4.602 ( 8.931 0.000 2.273) 9.216 4.817 ( 5.361 0.000 -3.107) 6.196 4.932 ( -4.559 0.000 5.292) 6.985 5.147 ( -11.418 0.000 -12.849) 17.190 5.196 ( 2.667 0.000 -1.209) 2.928 5.268 ( -1.824 0.000 -24.911) 24.978 5.446 ( 7.686 0.000 0.826) 7.730 5.537 ( -1.126 0.000 -2.584) 2.818 5.758 ( 0.381 0.000 6.760) 6.771 5.799 ( -0.982 0.000 4.290) 4.401 5.978 ( 3.242 0.000 2.293) 3.971 6.181 ( -6.004 0.000 -18.584) 19.530 6.427 ( -5.679 0.000 -6.781) 8.845 6.551 ( -6.412 0.000 -3.513) 7.312 6.765 ( -2.599 0.000 23.816) 23.957 7.030 ( 4.803 0.000 7.171) 8.631 7.364 ( -6.200 0.000 7.710) 9.893 7.507 ( -4.196 0.000 -7.218) 8.349 7.719 ( -3.301 0.000 0.004) 3.301 7.864 ( 2.947 0.000 -7.157) 7.740 7.995 ( -4.768 0.000 7.359) 8.769 8.145 ( 5.635 0.000 2.157) 6.034 8.273 ( -4.858 0.000 4.155) 6.392 8.383 ( -4.898 0.000 1.741) 5.199 8.644 ( 12.978 0.000 -6.559) 14.541 9.136 ( -0.406 0.000 -5.478) 5.493 11.761 ( 6.168 0.000 5.925) 8.553 12.409 ( -2.148 0.000 -10.886) 11.095 13.177 ( -8.827 0.000 2.097) 9.073 13.260 ( -12.752 0.000 0.541) 12.763 13.910 ( 3.279 0.000 -0.044) 3.279 13.935 ( 2.834 0.000 -0.453) 2.870 14.217 ( -3.879 0.000 -2.414) 4.569 14.229 ( -4.123 0.000 -2.237) 4.691 14.381 ( 9.152 0.000 -9.630) 13.285 14.425 ( -3.968 0.000 -1.403) 4.209 14.437 ( 1.077 0.000 -2.764) 2.967 14.445 ( -4.869 0.000 -1.978) 5.255 14.636 ( 8.816 0.000 0.242) 8.819 14.686 ( 6.020 0.000 2.604) 6.559 14.695 ( 10.979 0.000 -2.057) 11.171 14.724 ( 4.171 0.000 1.556) 4.452 15.043 ( 6.255 0.000 2.488) 6.732 15.089 ( 5.845 0.000 1.259) 5.979 15.176 ( 6.583 0.000 -0.429) 6.597 15.258 ( 5.479 0.000 -1.006) 5.570 15.322 ( 3.425 0.000 -0.405) 3.448 15.373 ( 10.142 0.000 -3.006) 10.578 15.772 ( -0.994 0.000 2.228) 2.440 15.837 ( 0.896 0.000 0.740) 1.162 15.850 ( 0.180 0.000 1.391) 1.403 15.930 ( 3.078 0.000 -2.538) 3.989 15.964 ( -1.571 0.000 -1.624) 2.259 16.002 ( 4.093 0.000 -2.051) 4.578 16.098 ( -0.764 0.000 2.732) 2.837 16.292 ( -3.224 0.000 -2.263) 3.939 16.447 ( -4.164 0.000 3.385) 5.366 16.525 ( -1.020 0.000 -1.103) 1.502 16.715 ( -7.414 0.000 0.619) 7.440 16.756 ( -4.231 0.000 -1.388) 4.452 16.868 ( -9.876 0.000 9.303) 13.568 17.048 ( -6.701 0.000 -0.842) 6.754 17.912 ( 0.264 0.000 0.777) 0.820 17.943 ( -0.175 0.000 2.330) 2.337 18.004 ( 1.150 0.000 -0.891) 1.455 18.168 ( -1.444 0.000 -2.614) 2.987 19.103 ( 0.396 0.000 0.507) 0.643 19.146 ( 1.086 0.000 -0.504) 1.197 19.316 ( -9.791 0.000 8.341) 12.862 19.339 ( -2.327 0.000 1.919) 3.016 ======================= Grid point 121 (39/108) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 27.339 0.000 20.170) 33.974 1.415 ( 24.034 0.000 25.283) 34.883 2.338 ( -22.418 0.000 13.088) 25.959 2.449 ( -26.896 0.000 11.200) 29.135 2.499 ( 49.119 0.000 23.846) 54.601 2.766 ( 19.388 0.000 -22.164) 29.447 3.006 ( 10.470 0.000 -26.600) 28.586 3.403 ( -12.432 0.000 -8.762) 15.210 3.548 ( -17.072 0.000 -17.520) 24.463 3.991 ( 7.666 0.000 19.696) 21.135 4.188 ( 0.468 0.000 9.163) 9.175 4.221 ( -26.424 0.000 10.921) 28.592 4.560 ( 5.444 0.000 15.143) 16.092 4.753 ( 8.288 0.000 -11.228) 13.955 4.756 ( 3.499 0.000 2.970) 4.589 4.806 ( -1.795 0.000 6.160) 6.417 4.920 ( 0.695 0.000 -0.515) 0.865 4.958 ( -7.726 0.000 -8.924) 11.804 5.296 ( 7.952 0.000 1.429) 8.080 5.381 ( 14.050 0.000 -30.601) 33.673 5.525 ( 3.777 0.000 0.911) 3.886 5.547 ( -0.012 0.000 6.921) 6.921 5.838 ( 7.654 0.000 -4.437) 8.847 5.854 ( 4.875 0.000 -4.179) 6.421 5.906 ( -8.455 0.000 -9.676) 12.850 6.102 ( -2.453 0.000 -8.848) 9.182 6.274 ( -10.474 0.000 -6.624) 12.393 6.321 ( -17.490 0.000 -3.565) 17.849 6.790 ( 7.077 0.000 19.958) 21.176 7.092 ( 0.818 0.000 8.158) 8.198 7.321 ( -0.229 0.000 4.624) 4.629 7.445 ( -3.189 0.000 1.488) 3.519 7.575 ( -9.120 0.000 1.089) 9.185 7.755 ( -10.096 0.000 8.839) 13.419 8.043 ( 5.758 0.000 -8.933) 10.628 8.172 ( -2.396 0.000 -3.509) 4.249 8.252 ( 4.629 0.000 3.725) 5.942 8.356 ( -0.690 0.000 6.202) 6.241 8.845 ( 8.785 0.000 -6.605) 10.991 9.090 ( -4.271 0.000 -3.873) 5.765 11.922 ( 10.739 0.000 4.253) 11.551 12.329 ( -7.145 0.000 -5.050) 8.750 13.002 ( -7.672 0.000 -2.524) 8.076 13.058 ( -8.196 0.000 -1.520) 8.336 13.994 ( 5.346 0.000 -0.078) 5.346 14.021 ( 5.570 0.000 -0.809) 5.628 14.151 ( -2.670 0.000 -1.810) 3.225 14.158 ( -2.993 0.000 -1.712) 3.448 14.335 ( -6.707 0.000 -0.955) 6.775 14.350 ( -3.331 0.000 -1.291) 3.572 14.357 ( -3.801 0.000 -1.473) 4.076 14.369 ( -5.667 0.000 -4.125) 7.010 14.797 ( 4.943 0.000 1.779) 5.254 14.809 ( 4.005 0.000 1.502) 4.278 14.895 ( 13.410 0.000 0.178) 13.411 14.940 ( 11.288 0.000 -0.984) 11.331 15.160 ( 5.435 0.000 1.974) 5.782 15.191 ( 4.174 0.000 1.188) 4.339 15.254 ( 2.911 0.000 2.106) 3.594 15.344 ( -0.166 0.000 1.586) 1.595 15.429 ( 9.285 0.000 -3.149) 9.804 15.552 ( 6.726 0.000 -3.683) 7.668 15.772 ( 0.951 0.000 -0.299) 0.997 15.848 ( -0.301 0.000 -0.744) 0.803 15.861 ( 1.085 0.000 0.785) 1.339 15.927 ( -2.184 0.000 -0.868) 2.350 15.978 ( 3.013 0.000 0.198) 3.019 16.085 ( 1.989 0.000 -1.202) 2.324 16.090 ( 0.374 0.000 1.593) 1.637 16.213 ( -4.963 0.000 -1.436) 5.167 16.406 ( 2.327 0.000 3.464) 4.173 16.512 ( 0.368 0.000 -0.881) 0.955 16.593 ( -4.254 0.000 1.034) 4.378 16.656 ( -5.763 0.000 -1.575) 5.975 16.709 ( -7.691 0.000 5.364) 9.377 16.868 ( -11.836 0.000 -0.306) 11.840 17.919 ( 0.452 0.000 1.108) 1.197 17.937 ( -0.406 0.000 2.102) 2.140 18.036 ( 2.173 0.000 -1.416) 2.593 18.131 ( -2.426 0.000 -2.320) 3.357 19.115 ( 0.882 0.000 1.097) 1.408 19.166 ( -0.113 0.000 0.927) 0.934 19.207 ( -1.503 0.000 4.297) 4.552 19.290 ( -2.953 0.000 0.817) 3.064 ======================= Grid point 122 (40/108) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -25.200 0.000 20.152) 32.267 1.875 ( 25.200 0.000 20.152) 32.267 1.920 ( -29.065 0.000 14.631) 32.540 1.920 ( 29.065 0.000 14.631) 32.540 3.090 ( -15.039 0.000 -15.902) 21.888 3.090 ( 15.039 0.000 -15.902) 21.888 3.246 ( -14.871 0.000 -22.320) 26.820 3.246 ( 14.871 0.000 -22.320) 26.820 3.470 ( -43.697 0.000 11.964) 45.305 3.470 ( 43.697 0.000 11.964) 45.305 4.165 ( -6.084 0.000 20.933) 21.799 4.165 ( 6.084 0.000 20.933) 21.799 4.668 ( -6.152 0.000 11.579) 13.112 4.668 ( 6.152 0.000 11.579) 13.112 4.853 ( -4.564 0.000 -11.111) 12.012 4.853 ( 4.564 0.000 -11.111) 12.012 4.886 ( -3.990 0.000 0.205) 3.996 4.886 ( 3.990 0.000 0.205) 3.996 5.455 ( -7.962 0.000 5.459) 9.654 5.455 ( 7.962 0.000 5.459) 9.654 5.587 ( -7.824 0.000 -28.282) 29.344 5.587 ( 7.824 0.000 -28.282) 29.344 5.880 ( -12.770 0.000 8.370) 15.269 5.880 ( 12.770 0.000 8.370) 15.269 6.051 ( -12.895 0.000 -6.516) 14.447 6.051 ( 12.895 0.000 -6.516) 14.447 6.053 ( -0.605 0.000 -11.278) 11.294 6.053 ( 0.605 0.000 -11.278) 11.294 6.993 ( -11.542 0.000 14.709) 18.697 6.993 ( 11.542 0.000 14.709) 18.697 7.341 ( -3.582 0.000 3.201) 4.804 7.341 ( 3.582 0.000 3.201) 4.804 7.581 ( -7.190 0.000 5.011) 8.764 7.581 ( 7.190 0.000 5.011) 8.764 8.131 ( -3.207 0.000 -8.021) 8.638 8.131 ( 3.207 0.000 -8.021) 8.638 8.325 ( -2.878 0.000 6.236) 6.868 8.325 ( 2.878 0.000 6.236) 6.868 8.987 ( -6.634 0.000 -4.604) 8.075 8.987 ( 6.634 0.000 -4.604) 8.075 12.142 ( -12.036 0.000 1.059) 12.083 12.142 ( 12.036 0.000 1.059) 12.083 12.954 ( -2.323 0.000 -3.686) 4.357 12.954 ( 2.323 0.000 -3.686) 4.357 14.079 ( -1.756 0.000 -0.632) 1.866 14.079 ( 1.756 0.000 -0.632) 1.866 14.127 ( -0.201 0.000 -1.606) 1.618 14.127 ( 0.201 0.000 -1.606) 1.618 14.272 ( -2.258 0.000 -1.589) 2.761 14.272 ( 2.258 0.000 -1.589) 2.761 14.319 ( -0.185 0.000 -1.281) 1.294 14.319 ( 0.185 0.000 -1.281) 1.294 14.848 ( -0.261 0.000 1.523) 1.545 14.848 ( 0.261 0.000 1.523) 1.545 15.046 ( -1.353 0.000 0.385) 1.406 15.046 ( 1.353 0.000 0.385) 1.406 15.223 ( -0.950 0.000 1.535) 1.805 15.223 ( 0.950 0.000 1.535) 1.805 15.305 ( -2.955 0.000 2.589) 3.928 15.305 ( 2.955 0.000 2.589) 3.928 15.571 ( -4.500 0.000 -2.006) 4.927 15.571 ( 4.500 0.000 -2.006) 4.927 15.814 ( -2.942 0.000 -2.829) 4.082 15.814 ( 2.942 0.000 -2.829) 4.082 15.889 ( -1.805 0.000 0.035) 1.805 15.889 ( 1.805 0.000 0.035) 1.805 16.049 ( -4.064 0.000 1.870) 4.474 16.049 ( 4.064 0.000 1.870) 4.474 16.127 ( -3.649 0.000 -0.061) 3.650 16.127 ( 3.649 0.000 -0.061) 3.650 16.518 ( -4.706 0.000 0.870) 4.786 16.518 ( 4.706 0.000 0.870) 4.786 16.566 ( -2.120 0.000 -2.092) 2.978 16.566 ( 2.120 0.000 -2.092) 2.978 16.661 ( -7.029 0.000 2.330) 7.405 16.661 ( 7.029 0.000 2.330) 7.405 17.928 ( -0.508 0.000 1.604) 1.682 17.928 ( 0.508 0.000 1.604) 1.682 18.082 ( -2.670 0.000 -1.899) 3.276 18.082 ( 2.670 0.000 -1.899) 3.276 19.138 ( -1.560 0.000 2.210) 2.705 19.138 ( 1.560 0.000 2.210) 2.705 19.235 ( -2.730 0.000 0.471) 2.771 19.235 ( 2.730 0.000 0.471) 2.771 ======================= Grid point 126 (41/108) ======================= q-point: ( 0.00 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.000 24.498 18.243) 30.544 1.071 ( 0.000 28.718 27.127) 39.504 1.935 ( 0.000 54.596 42.616) 69.260 2.348 ( 0.000 9.962 -33.083) 34.550 2.926 ( 0.000 12.771 -29.125) 31.802 3.062 ( 0.000 8.883 10.237) 13.554 3.268 ( 0.000 14.248 8.153) 16.416 3.613 ( 0.000 4.745 29.662) 30.039 3.954 ( 0.000 1.267 3.411) 3.639 4.042 ( 0.000 0.966 -10.577) 10.621 4.162 ( 0.000 5.896 -11.261) 12.712 4.398 ( 0.000 9.798 -7.863) 12.563 4.480 ( 0.000 10.181 5.328) 11.491 4.615 ( 0.000 8.670 5.222) 10.121 4.624 ( 0.000 15.933 13.345) 20.784 4.931 ( 0.000 15.952 -6.757) 17.324 5.124 ( 0.000 11.944 0.275) 11.947 5.364 ( 0.000 9.121 2.189) 9.380 5.372 ( 0.000 10.730 -30.017) 31.877 5.414 ( 0.000 9.827 -14.933) 17.877 5.496 ( 0.000 18.878 -5.525) 19.669 5.703 ( 0.000 15.025 -4.673) 15.735 5.899 ( 0.000 8.013 2.957) 8.541 5.903 ( 0.000 3.546 4.250) 5.535 5.940 ( 0.000 9.328 15.773) 18.325 6.337 ( 0.000 7.930 -17.288) 19.020 6.579 ( 0.000 3.608 -6.066) 7.058 6.613 ( 0.000 10.617 -4.254) 11.438 6.853 ( 0.000 5.435 25.952) 26.515 6.983 ( 0.000 1.503 3.523) 3.830 7.531 ( 0.000 -1.273 1.546) 2.003 7.544 ( 0.000 -1.055 -10.945) 10.996 7.589 ( 0.000 -10.400 8.394) 13.365 7.716 ( 0.000 -2.274 1.134) 2.541 8.012 ( 0.000 -4.540 10.166) 11.133 8.041 ( 0.000 -2.361 2.835) 3.689 8.186 ( 0.000 -10.522 5.029) 11.662 8.298 ( 0.000 -0.887 13.099) 13.129 8.427 ( 0.000 -4.015 -3.852) 5.564 9.074 ( 0.000 -4.598 -6.406) 7.885 11.740 ( 0.000 3.924 6.495) 7.588 12.402 ( 0.000 -2.345 -11.133) 11.377 13.243 ( 0.000 -4.213 4.175) 5.931 13.289 ( 0.000 -11.550 1.789) 11.688 13.769 ( 0.000 -8.971 -0.073) 8.971 13.796 ( 0.000 -8.502 -0.671) 8.529 14.025 ( 0.000 -5.132 2.561) 5.736 14.237 ( 0.000 -5.320 -3.560) 6.401 14.302 ( 0.000 1.856 -2.075) 2.784 14.323 ( 0.000 2.120 -2.088) 2.976 14.502 ( 0.000 -4.618 0.533) 4.649 14.546 ( 0.000 -5.399 -0.421) 5.416 14.633 ( 0.000 4.285 -0.455) 4.309 14.660 ( 0.000 11.314 -0.466) 11.323 14.738 ( 0.000 10.289 -2.604) 10.614 14.752 ( 0.000 2.558 -1.918) 3.197 14.975 ( 0.000 -2.508 3.174) 4.045 14.977 ( 0.000 0.138 2.178) 2.182 15.125 ( 0.000 2.518 1.170) 2.776 15.160 ( 0.000 -4.402 1.030) 4.521 15.217 ( 0.000 -3.026 -0.108) 3.028 15.275 ( 0.000 0.035 -1.004) 1.005 15.719 ( 0.000 -6.949 6.843) 9.753 15.796 ( 0.000 -0.931 0.060) 0.933 15.838 ( 0.000 0.310 1.253) 1.291 15.901 ( 0.000 4.133 0.544) 4.169 15.947 ( 0.000 -1.382 -0.856) 1.626 15.973 ( 0.000 -0.597 -0.492) 0.774 16.247 ( 0.000 4.474 1.638) 4.765 16.390 ( 0.000 5.225 -1.818) 5.533 16.532 ( 0.000 -0.127 -0.242) 0.274 16.539 ( 0.000 3.492 -0.996) 3.632 16.659 ( 0.000 -5.608 1.850) 5.905 16.716 ( 0.000 -6.693 -1.143) 6.790 16.841 ( 0.000 -4.637 3.739) 5.957 16.930 ( 0.000 -14.439 0.435) 14.446 17.953 ( 0.000 3.961 1.097) 4.110 18.033 ( 0.000 6.890 2.031) 7.183 18.072 ( 0.000 6.836 0.130) 6.837 18.665 ( 0.000 17.707 -25.192) 30.793 19.087 ( 0.000 -1.249 0.401) 1.312 19.123 ( 0.000 -1.205 -0.445) 1.284 19.335 ( 0.000 -2.252 1.923) 2.961 19.438 ( 0.000 -4.885 1.386) 5.078 ======================= Grid point 127 (42/108) ======================= q-point: ( 0.17 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 26.903 17.751 15.698) 35.851 1.214 ( 14.407 24.332 24.525) 37.431 2.178 ( 25.882 48.035 35.583) 65.141 2.478 ( 12.359 8.880 -29.845) 33.501 2.852 ( -16.580 6.841 9.708) 20.394 2.996 ( 3.673 16.548 -25.995) 31.033 3.083 ( -16.503 13.760 7.022) 22.605 3.614 ( -2.601 5.809 15.321) 16.591 3.894 ( -4.401 2.664 -2.708) 5.814 4.003 ( -6.471 9.381 -2.473) 11.661 4.129 ( 1.226 3.838 -0.474) 4.056 4.517 ( 11.763 4.152 -5.049) 13.458 4.539 ( 0.820 7.599 1.525) 7.794 4.658 ( 3.425 14.823 15.254) 21.544 4.738 ( 10.872 9.318 6.242) 15.620 4.980 ( 2.483 13.014 -2.501) 13.483 5.090 ( -2.467 13.608 1.573) 13.919 5.257 ( -8.280 15.006 -11.283) 20.519 5.386 ( 0.009 10.052 -24.640) 26.611 5.423 ( 2.688 11.564 -7.505) 14.045 5.496 ( 0.735 15.115 0.215) 15.135 5.716 ( -5.824 14.018 0.575) 15.191 5.785 ( 2.241 5.072 2.392) 6.039 5.878 ( -2.063 7.493 1.949) 8.012 6.035 ( 4.794 4.963 4.409) 8.188 6.307 ( -2.517 12.344 -17.369) 21.457 6.526 ( -8.351 7.480 -3.614) 11.779 6.556 ( -6.249 2.596 -4.179) 7.953 6.830 ( -1.044 7.130 20.130) 21.381 7.051 ( 5.016 2.082 6.573) 8.526 7.368 ( -4.984 0.629 5.941) 7.781 7.501 ( -3.442 -0.656 -6.529) 7.410 7.699 ( -2.806 -2.743 -0.196) 3.929 7.774 ( 6.359 -6.703 -3.638) 9.929 7.951 ( -5.086 -4.137 8.509) 10.742 8.103 ( 4.394 -4.272 3.057) 6.849 8.180 ( -2.364 -7.783 1.161) 8.217 8.317 ( 0.868 -2.771 9.384) 9.824 8.515 ( 11.103 -7.296 -2.840) 13.585 9.065 ( -1.393 -5.813 -5.402) 8.057 11.794 ( 5.659 3.407 5.890) 8.850 12.389 ( -1.582 -1.830 -9.480) 9.784 13.127 ( -10.861 -6.398 0.958) 12.642 13.166 ( -9.691 -7.443 1.446) 12.305 13.807 ( 3.912 -8.245 0.004) 9.126 13.836 ( 4.164 -7.392 -0.563) 8.503 14.164 ( 5.066 -8.472 -1.093) 9.931 14.235 ( -3.229 -0.094 -2.207) 3.912 14.291 ( 1.153 0.010 -1.886) 2.210 14.381 ( 5.027 -2.942 -2.866) 6.492 14.429 ( -5.721 -4.531 0.950) 7.360 14.518 ( -3.550 -0.037 -1.425) 3.825 14.653 ( 3.382 2.339 -0.916) 4.212 14.683 ( 3.944 5.520 -0.790) 6.830 14.760 ( 4.582 6.456 1.313) 8.025 14.798 ( 5.416 3.743 0.221) 6.587 15.025 ( 3.000 -4.570 -0.137) 5.468 15.048 ( 4.966 -1.784 0.998) 5.371 15.191 ( 6.405 0.657 0.879) 6.499 15.216 ( 6.443 -2.784 0.849) 7.070 15.293 ( 6.673 -3.643 -0.034) 7.603 15.321 ( 4.640 -0.668 -0.357) 4.701 15.711 ( 0.139 -4.853 4.866) 6.873 15.818 ( 0.401 -1.706 -0.501) 1.823 15.854 ( 2.338 -1.431 1.598) 3.173 15.926 ( 1.749 1.630 -0.129) 2.395 15.933 ( -0.534 1.494 0.425) 1.642 15.996 ( 1.984 -0.997 -1.080) 2.469 16.224 ( -1.969 2.820 1.202) 3.644 16.347 ( -4.316 5.584 -2.404) 7.456 16.488 ( -4.954 1.855 0.749) 5.343 16.516 ( -2.078 -1.857 -0.078) 2.788 16.626 ( -2.618 -1.854 1.303) 3.462 16.693 ( -2.285 -4.553 -1.245) 5.245 16.807 ( -3.276 -1.768 3.161) 4.883 16.886 ( -4.718 -12.893 0.402) 13.735 17.958 ( 0.442 4.092 1.172) 4.279 18.028 ( -0.649 6.735 2.550) 7.230 18.084 ( 1.406 6.907 -0.815) 7.096 18.559 ( -10.099 19.442 -18.520) 28.688 19.091 ( 0.367 -1.276 0.577) 1.448 19.133 ( 1.009 -1.285 -0.453) 1.696 19.301 ( -8.577 -1.789 6.772) 11.074 19.318 ( -2.585 -2.111 2.122) 3.955 ======================= Grid point 128 (43/108) ======================= q-point: ( 0.33 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 21.553 17.587 20.720) 34.686 1.633 ( 26.349 17.690 14.991) 35.099 2.430 ( -22.455 9.194 12.131) 27.128 2.589 ( -19.500 12.672 4.469) 23.681 2.829 ( 37.481 30.682 17.948) 51.656 2.897 ( 15.647 13.905 -12.384) 24.322 3.157 ( 11.379 14.438 -26.730) 32.441 3.468 ( -11.703 6.603 -9.249) 16.313 3.683 ( -15.201 12.738 -17.320) 26.331 4.046 ( 7.779 5.534 20.128) 22.277 4.191 ( 3.550 1.390 10.960) 11.604 4.309 ( -25.157 10.636 9.389) 28.882 4.660 ( 2.487 6.203 7.776) 10.253 4.796 ( 8.355 7.886 2.575) 11.774 4.874 ( -4.649 6.268 3.278) 8.464 4.957 ( 2.957 12.080 5.625) 13.649 5.077 ( -0.047 16.804 -3.592) 17.184 5.164 ( -1.324 20.686 -3.086) 20.957 5.453 ( 6.235 10.874 -17.368) 21.418 5.509 ( 8.580 16.726 -17.772) 25.869 5.516 ( 3.967 3.423 4.482) 6.895 5.704 ( 2.880 10.674 1.269) 11.128 5.825 ( -1.114 6.700 -2.101) 7.109 5.879 ( 4.132 3.075 -5.553) 7.574 6.075 ( -0.927 5.380 -1.929) 5.790 6.239 ( -4.181 17.522 -13.252) 22.363 6.312 ( -16.420 -0.686 -3.648) 16.834 6.373 ( -8.832 9.097 -6.627) 14.307 6.866 ( 6.044 7.637 17.170) 19.740 7.118 ( 1.193 2.623 6.404) 7.023 7.338 ( 0.362 1.610 4.890) 5.161 7.445 ( -3.231 0.099 1.386) 3.517 7.575 ( -8.024 0.026 0.825) 8.066 7.718 ( -8.696 -3.247 8.362) 12.494 7.980 ( 5.846 -5.742 -6.508) 10.464 8.109 ( -1.375 -5.554 -3.252) 6.581 8.215 ( 4.322 -3.481 3.357) 6.486 8.317 ( -0.805 -3.282 7.363) 8.102 8.734 ( 10.494 -9.330 -4.386) 14.711 9.010 ( -4.542 -7.041 -4.225) 9.384 11.944 ( 10.114 2.376 4.350) 11.264 12.324 ( -6.243 -0.357 -4.263) 7.568 12.929 ( -7.479 -7.310 -1.822) 10.615 12.999 ( -7.971 -5.409 -1.658) 9.774 13.903 ( 6.058 -6.789 0.149) 9.100 13.938 ( 6.190 -5.976 -0.720) 8.634 14.150 ( -2.688 -1.600 -1.455) 3.449 14.164 ( -3.541 0.276 -1.340) 3.796 14.269 ( -5.012 -4.657 -1.194) 6.945 14.289 ( -6.217 -5.537 -0.540) 8.343 14.429 ( -0.721 4.764 -1.702) 5.110 14.450 ( -2.897 6.246 -1.295) 7.006 14.773 ( 6.917 -3.425 0.247) 7.722 14.809 ( 5.677 -3.740 0.449) 6.813 14.910 ( 10.822 3.533 1.175) 11.444 14.927 ( 7.492 2.516 0.890) 7.953 15.050 ( 0.315 -8.379 0.764) 8.420 15.119 ( 1.877 -4.531 -0.025) 4.905 15.316 ( 6.077 0.947 1.433) 6.315 15.359 ( 6.244 -2.598 0.090) 6.764 15.393 ( 4.695 0.870 -0.337) 4.787 15.435 ( 5.198 -7.445 0.837) 9.119 15.732 ( 1.981 -3.552 0.142) 4.069 15.813 ( -0.722 -2.559 -1.050) 2.858 15.902 ( 0.229 -2.026 0.857) 2.211 15.919 ( 2.627 -3.405 1.369) 4.513 15.964 ( 1.459 5.263 -0.354) 5.473 16.038 ( 2.065 -2.047 0.229) 2.917 16.174 ( -4.489 0.020 0.031) 4.489 16.239 ( -7.235 5.166 -2.872) 9.342 16.408 ( 0.007 -2.208 2.159) 3.088 16.485 ( -0.540 -2.673 -0.176) 2.733 16.572 ( -3.408 -1.465 0.165) 3.713 16.640 ( -3.721 -0.216 -2.327) 4.393 16.735 ( -4.055 2.521 2.492) 5.386 16.770 ( -6.334 -4.475 1.449) 7.889 17.970 ( 0.839 4.501 1.447) 4.802 18.010 ( -1.144 6.050 2.498) 6.645 18.129 ( 3.465 7.900 -2.014) 8.859 18.362 ( -9.589 16.017 -8.177) 20.380 19.102 ( 0.840 -1.348 1.167) 1.971 19.152 ( -0.095 -1.421 0.960) 1.718 19.193 ( -1.770 -1.463 4.234) 4.817 19.270 ( -2.838 -1.967 0.801) 3.545 ======================= Grid point 129 (44/108) ======================= q-point: (-0.50 0.06 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -22.523 12.595 16.507) 30.633 1.983 ( 22.523 12.595 16.507) 30.633 2.130 ( -25.070 17.272 12.815) 33.030 2.130 ( 25.070 17.272 12.815) 33.030 3.181 ( -14.730 8.525 -17.429) 24.360 3.181 ( 14.730 8.525 -17.429) 24.360 3.403 ( -13.835 14.512 -22.097) 29.837 3.403 ( 13.835 14.512 -22.097) 29.837 3.654 ( -40.271 19.361 13.078) 46.558 3.654 ( 40.271 19.361 13.078) 46.558 4.195 ( -4.339 3.156 20.128) 20.831 4.195 ( 4.339 3.156 20.128) 20.831 4.721 ( -5.815 3.748 6.449) 9.458 4.721 ( 5.815 3.748 6.449) 9.458 4.938 ( -3.943 10.498 2.239) 11.435 4.938 ( 3.943 10.498 2.239) 11.435 5.125 ( -3.024 20.766 -2.321) 21.113 5.125 ( 3.024 20.766 -2.321) 21.113 5.553 ( -2.672 8.496 -6.137) 10.816 5.553 ( 2.672 8.496 -6.137) 10.816 5.689 ( -5.701 11.238 -16.613) 20.851 5.689 ( 5.701 11.238 -16.613) 20.851 5.919 ( -13.419 4.402 7.727) 16.098 5.919 ( 13.419 4.402 7.727) 16.098 6.024 ( -3.642 0.901 -7.731) 8.593 6.024 ( 3.642 0.901 -7.731) 8.593 6.244 ( -4.268 14.329 -11.686) 18.977 6.244 ( 4.268 14.329 -11.686) 18.977 7.038 ( -9.836 4.627 13.162) 17.070 7.038 ( 9.836 4.627 13.162) 17.070 7.359 ( -2.780 1.783 3.341) 4.698 7.359 ( 2.780 1.783 3.341) 4.698 7.568 ( -5.945 -1.012 4.795) 7.705 7.568 ( 5.945 -1.012 4.795) 7.705 8.072 ( -3.370 -5.438 -6.813) 9.346 8.072 ( 3.370 -5.438 -6.813) 9.346 8.284 ( -2.822 -3.730 6.149) 7.726 8.284 ( 2.822 -3.730 6.149) 7.726 8.898 ( -7.344 -8.036 -4.217) 11.674 8.898 ( 7.344 -8.036 -4.217) 11.674 12.152 ( -11.302 1.125 1.440) 11.448 12.152 ( 11.302 1.125 1.440) 11.448 12.890 ( -2.828 -6.175 -3.389) 7.591 12.890 ( 2.828 -6.175 -3.389) 7.591 14.002 ( -2.393 -5.205 -0.313) 5.737 14.002 ( 2.393 -5.205 -0.313) 5.737 14.117 ( -1.288 -1.512 -1.419) 2.441 14.117 ( 1.288 -1.512 -1.419) 2.441 14.209 ( -0.820 -4.720 -0.338) 4.802 14.209 ( 0.820 -4.720 -0.338) 4.802 14.419 ( -0.326 7.414 -1.524) 7.576 14.419 ( 0.326 7.414 -1.524) 7.576 14.851 ( -1.126 -2.779 0.863) 3.120 14.851 ( 1.126 -2.779 0.863) 3.120 15.028 ( -2.698 -2.906 1.368) 4.195 15.028 ( 2.698 -2.906 1.368) 4.195 15.088 ( -5.581 -3.719 0.197) 6.710 15.088 ( 5.581 -3.719 0.197) 6.710 15.394 ( -1.707 2.207 1.934) 3.395 15.394 ( 1.707 2.207 1.934) 3.395 15.466 ( -1.637 -7.565 0.060) 7.741 15.466 ( 1.637 -7.565 0.060) 7.741 15.781 ( -2.771 -3.138 -2.227) 4.741 15.781 ( 2.771 -3.138 -2.227) 4.741 15.924 ( -1.996 -1.021 0.286) 2.260 15.924 ( 1.996 -1.021 0.286) 2.260 16.048 ( -6.068 3.184 1.336) 6.982 16.048 ( 6.068 3.184 1.336) 6.982 16.106 ( -4.783 -2.904 -0.738) 5.644 16.106 ( 4.783 -2.904 -0.738) 5.644 16.506 ( -4.245 -3.451 -0.644) 5.508 16.506 ( 4.245 -3.451 -0.644) 5.508 16.516 ( -7.313 -3.297 -0.982) 8.082 16.516 ( 7.313 -3.297 -0.982) 8.082 16.701 ( -1.131 6.254 2.099) 6.693 16.701 ( 1.131 6.254 2.099) 6.693 17.988 ( -1.125 5.192 1.949) 5.659 17.988 ( 1.125 5.192 1.949) 5.659 18.217 ( -6.101 10.790 -3.760) 12.953 18.217 ( 6.101 10.790 -3.760) 12.953 19.124 ( -1.546 -1.419 2.300) 3.114 19.124 ( 1.546 -1.419 2.300) 3.114 19.218 ( -2.603 -1.738 0.452) 3.162 19.218 ( 2.603 -1.738 0.452) 3.162 ======================= Grid point 133 (45/108) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 32.477 11.704) 34.522 1.743 ( 0.000 36.912 17.926) 41.035 2.637 ( 0.000 19.240 -29.719) 35.403 3.178 ( 0.000 65.316 23.389) 69.377 3.224 ( 0.000 18.286 -12.719) 22.274 3.362 ( 0.000 19.421 -6.264) 20.406 3.650 ( 0.000 21.005 4.091) 21.400 3.777 ( 0.000 11.943 25.875) 28.498 4.103 ( 0.000 14.404 7.677) 16.322 4.104 ( 0.000 5.524 -4.667) 7.232 4.283 ( 0.000 7.255 -11.320) 13.445 4.716 ( 0.000 20.439 -9.409) 22.501 4.766 ( 0.000 16.847 6.352) 18.005 4.797 ( 0.000 9.304 8.281) 12.455 4.991 ( 0.000 19.553 16.496) 25.582 5.216 ( 0.000 12.327 -7.606) 14.484 5.413 ( 0.000 13.832 -9.598) 16.836 5.646 ( 0.000 18.251 8.517) 20.140 5.670 ( 0.000 20.399 -18.777) 27.725 5.770 ( 0.000 7.274 6.518) 9.767 5.840 ( 0.000 31.534 -10.263) 33.162 6.020 ( 0.000 7.722 1.644) 7.895 6.063 ( 0.000 12.872 -10.143) 16.388 6.127 ( 0.000 23.532 -5.557) 24.180 6.318 ( 0.000 24.860 6.085) 25.594 6.598 ( 0.000 18.293 -9.585) 20.652 6.682 ( 0.000 8.010 -4.236) 9.062 6.893 ( 0.000 15.368 6.150) 16.553 7.023 ( 0.000 2.327 2.994) 3.792 7.059 ( 0.000 15.286 6.739) 16.706 7.479 ( 0.000 -2.754 -4.931) 5.648 7.495 ( 0.000 1.294 4.610) 4.788 7.540 ( 0.000 0.117 -1.144) 1.150 7.683 ( 0.000 -1.450 0.547) 1.550 7.906 ( 0.000 -4.811 9.005) 10.210 7.984 ( 0.000 -2.974 1.630) 3.391 8.044 ( 0.000 -5.139 -1.023) 5.240 8.280 ( 0.000 -3.742 11.440) 12.036 8.333 ( 0.000 -2.137 -2.494) 3.284 8.947 ( 0.000 -7.689 -5.427) 9.411 11.852 ( 0.000 6.941 5.147) 8.641 12.342 ( 0.000 -3.460 -7.451) 8.215 12.994 ( 0.000 -16.609 3.216) 16.917 13.122 ( 0.000 -8.050 0.414) 8.060 13.582 ( 0.000 -8.915 0.811) 8.952 13.632 ( 0.000 -7.819 -0.638) 7.845 13.898 ( 0.000 -7.082 1.770) 7.300 14.073 ( 0.000 -10.090 -3.245) 10.599 14.328 ( 0.000 -0.678 -1.350) 1.510 14.374 ( 0.000 -8.230 -0.006) 8.230 14.400 ( 0.000 2.612 0.023) 2.612 14.410 ( 0.000 -2.911 1.467) 3.260 14.736 ( 0.000 5.444 -2.258) 5.894 14.751 ( 0.000 -1.001 -0.797) 1.280 14.815 ( 0.000 0.221 -2.135) 2.146 14.890 ( 0.000 1.968 -3.932) 4.397 14.988 ( 0.000 3.161 0.889) 3.284 15.008 ( 0.000 7.392 1.464) 7.536 15.098 ( 0.000 -1.292 4.694) 4.868 15.147 ( 0.000 -3.671 1.097) 3.832 15.159 ( 0.000 0.883 0.616) 1.076 15.312 ( 0.000 3.630 -1.796) 4.050 15.593 ( 0.000 -5.895 5.904) 8.343 15.760 ( 0.000 -3.052 -0.525) 3.097 15.855 ( 0.000 1.142 0.018) 1.142 15.899 ( 0.000 -1.961 -0.888) 2.153 15.966 ( 0.000 -0.007 1.086) 1.086 16.020 ( 0.000 5.592 -0.685) 5.633 16.240 ( 0.000 -2.978 2.085) 3.635 16.410 ( 0.000 -6.217 -2.491) 6.697 16.552 ( 0.000 -3.643 0.144) 3.646 16.554 ( 0.000 2.177 2.605) 3.395 16.598 ( 0.000 -13.196 1.400) 13.270 16.639 ( 0.000 -1.433 -0.545) 1.533 16.659 ( 0.000 1.940 -0.810) 2.103 16.824 ( 0.000 3.581 -2.540) 4.390 18.045 ( 0.000 4.469 1.788) 4.813 18.160 ( 0.000 4.890 2.134) 5.335 18.213 ( 0.000 6.194 0.362) 6.205 18.820 ( 0.000 1.089 -17.087) 17.122 19.048 ( 0.000 -2.671 0.604) 2.739 19.086 ( 0.000 -2.566 -0.291) 2.582 19.266 ( 0.000 -4.593 1.583) 4.858 19.313 ( 0.000 -7.439 3.232) 8.111 ======================= Grid point 134 (46/108) ======================= q-point: ( 0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 20.904 28.273 10.718) 36.759 1.826 ( 8.668 35.031 17.360) 40.046 2.748 ( 10.583 18.389 -26.845) 34.217 3.094 ( -14.416 18.079 5.950) 23.876 3.320 ( 14.392 60.755 21.213) 65.941 3.353 ( 1.340 20.045 -20.385) 28.620 3.482 ( -12.688 22.262 0.802) 25.637 3.807 ( -2.221 13.179 11.720) 17.776 4.006 ( -0.823 9.063 4.455) 10.132 4.194 ( 3.847 10.927 6.457) 13.262 4.322 ( -2.095 13.156 -10.198) 16.777 4.680 ( 3.922 13.422 -4.039) 14.555 4.810 ( 0.112 17.014 3.444) 17.360 4.897 ( 8.961 8.121 7.724) 14.350 5.025 ( 1.171 20.363 18.129) 27.289 5.229 ( 0.265 13.007 -1.823) 13.137 5.390 ( -1.572 11.457 -6.819) 13.425 5.600 ( 0.031 15.903 -4.956) 16.658 5.701 ( -2.707 20.865 -1.115) 21.069 5.739 ( 3.485 20.622 -5.269) 21.568 5.913 ( 3.767 20.585 -6.101) 21.798 5.992 ( -1.756 17.273 -3.643) 17.740 6.031 ( -3.844 14.352 -9.226) 17.490 6.134 ( 0.457 19.831 -4.027) 20.241 6.269 ( -3.123 21.781 6.119) 22.839 6.525 ( -7.126 6.774 -7.400) 12.305 6.691 ( -1.785 14.718 -2.996) 15.125 6.790 ( -6.886 17.348 -2.857) 18.883 7.058 ( 0.174 12.651 10.434) 16.399 7.122 ( 6.213 7.144 0.526) 9.482 7.397 ( -3.956 1.968 1.470) 4.657 7.480 ( -0.167 -0.767 -3.619) 3.703 7.613 ( 1.915 -2.349 1.526) 3.393 7.712 ( 2.423 -0.749 0.809) 2.662 7.853 ( -4.884 -4.517 8.249) 10.597 7.995 ( 0.073 -5.572 0.746) 5.622 8.064 ( 2.507 -4.254 -0.359) 4.951 8.288 ( -0.548 -0.492 11.814) 11.837 8.369 ( 5.770 -7.319 -3.872) 10.093 8.920 ( -2.980 -8.434 -4.979) 10.238 11.894 ( 4.537 6.306 4.870) 9.169 12.345 ( 0.159 -2.426 -6.458) 6.901 12.888 ( -9.629 -14.716 2.431) 17.753 13.028 ( -8.514 -7.916 -0.595) 11.641 13.638 ( 5.657 -7.938 0.852) 9.784 13.687 ( 5.547 -7.272 -0.543) 9.162 13.988 ( 6.725 -8.458 1.073) 10.859 14.134 ( 4.039 -9.598 -2.178) 10.638 14.282 ( -4.808 -4.132 -0.589) 6.367 14.344 ( -6.181 -2.401 1.186) 6.736 14.379 ( 0.375 2.383 -0.966) 2.599 14.415 ( 4.143 -5.941 -0.239) 7.247 14.729 ( -1.447 5.150 -1.152) 5.472 14.817 ( 1.273 0.688 -3.384) 3.680 14.831 ( 5.274 -1.121 -0.010) 5.392 14.878 ( 0.758 4.147 -1.116) 4.361 14.977 ( -0.200 2.950 0.732) 3.046 14.999 ( -1.090 -0.367 0.339) 1.199 15.137 ( 4.143 -3.118 3.839) 6.452 15.211 ( 5.741 -3.096 0.303) 6.529 15.227 ( 6.007 -0.480 1.084) 6.123 15.357 ( 4.656 3.816 -1.341) 6.167 15.600 ( 0.566 -5.924 4.577) 7.508 15.761 ( -0.481 -4.169 -0.832) 4.278 15.858 ( 0.536 0.888 0.058) 1.039 15.900 ( -0.032 -1.070 -0.456) 1.164 15.957 ( -1.526 -2.386 0.780) 2.938 16.025 ( 0.056 3.554 -1.196) 3.750 16.208 ( -1.902 -2.617 2.740) 4.239 16.381 ( -2.469 -4.539 -1.959) 5.526 16.476 ( -6.390 -4.843 1.215) 8.109 16.495 ( -6.071 0.422 0.328) 6.094 16.579 ( -1.265 -7.669 -0.461) 7.786 16.619 ( -1.802 -0.268 -0.817) 1.997 16.726 ( 4.779 2.546 0.981) 5.503 16.846 ( 1.568 4.647 -1.612) 5.162 18.051 ( 0.668 4.521 1.816) 4.918 18.153 ( -0.852 4.847 2.803) 5.663 18.228 ( 1.803 6.387 -0.833) 6.688 18.763 ( -6.393 2.896 -16.151) 17.610 19.051 ( 0.283 -2.722 0.769) 2.843 19.093 ( 0.757 -2.733 -0.240) 2.846 19.233 ( -6.053 -4.993 5.059) 9.336 19.252 ( -2.036 -4.485 1.708) 5.213 ======================= Grid point 135 (47/108) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 18.554 27.466 12.310) 35.358 2.073 ( 22.992 27.482 12.882) 38.077 2.726 ( -18.522 20.436 8.455) 28.847 2.935 ( -7.695 21.678 -4.917) 23.523 3.196 ( 0.003 17.263 -8.466) 19.227 3.504 ( 7.173 19.497 -24.647) 32.235 3.658 ( 0.394 22.668 -5.728) 23.384 3.736 ( 17.904 41.761 10.319) 46.594 4.011 ( -6.037 18.789 -10.219) 22.224 4.222 ( 1.461 12.550 11.758) 17.259 4.282 ( 2.378 7.919 12.548) 15.027 4.673 ( -14.959 24.066 5.615) 28.887 4.796 ( 2.582 8.823 3.614) 9.878 4.955 ( -5.168 7.616 7.322) 11.761 5.083 ( 6.293 14.850 10.292) 19.132 5.238 ( 0.685 15.582 10.277) 18.679 5.422 ( 8.130 12.518 -2.119) 15.076 5.657 ( 3.465 20.366 -3.430) 20.942 5.709 ( 3.264 19.194 -5.247) 20.164 5.771 ( -0.191 19.470 -5.787) 20.312 5.949 ( 1.427 14.266 -0.373) 14.342 5.976 ( -0.140 18.417 -12.701) 22.372 6.011 ( 3.412 24.335 -8.994) 26.167 6.116 ( -2.344 16.186 -2.428) 16.534 6.236 ( -1.754 12.897 -0.772) 13.039 6.324 ( -13.331 6.539 0.185) 14.850 6.599 ( -5.547 13.027 -4.885) 14.978 6.679 ( -6.143 23.216 -15.742) 28.715 7.083 ( 3.729 12.060 9.593) 15.855 7.214 ( 3.044 8.385 -0.223) 8.923 7.387 ( 2.001 3.563 6.490) 7.669 7.458 ( -2.562 1.247 0.635) 2.919 7.581 ( -3.893 1.079 0.485) 4.069 7.668 ( -6.980 -0.101 9.378) 11.691 7.852 ( 5.122 -5.967 -2.451) 8.237 7.983 ( -1.060 -6.398 -2.687) 7.019 8.127 ( 3.770 -4.636 2.701) 6.558 8.254 ( -2.674 -2.172 8.289) 8.976 8.528 ( 9.728 -10.608 -2.832) 14.669 8.836 ( -5.972 -9.873 -4.128) 12.255 12.017 ( 8.422 4.693 4.043) 10.455 12.325 ( -3.541 0.685 -2.573) 4.431 12.721 ( -5.795 -12.776 -0.178) 14.030 12.856 ( -9.014 -8.564 -2.237) 12.633 13.774 ( 8.413 -5.644 0.796) 10.162 13.819 ( 7.969 -5.918 -0.463) 9.937 14.064 ( 0.570 -6.499 -0.515) 6.544 14.141 ( -2.289 -3.376 0.521) 4.111 14.163 ( -7.359 -5.672 -0.292) 9.296 14.218 ( -6.211 -2.063 0.504) 6.565 14.451 ( 6.064 -2.073 -0.758) 6.453 14.530 ( 6.088 -1.239 -2.244) 6.606 14.689 ( -1.770 -1.385 0.676) 2.347 14.785 ( -3.255 1.528 -2.411) 4.329 14.875 ( 0.916 -5.050 0.010) 5.133 14.953 ( -2.421 -4.935 0.832) 5.560 15.019 ( 9.232 -1.357 0.016) 9.332 15.048 ( 7.676 6.991 0.747) 10.409 15.235 ( 5.324 -6.510 3.071) 8.953 15.316 ( 4.240 -3.337 0.134) 5.397 15.330 ( 3.861 -2.757 0.684) 4.793 15.437 ( 1.550 2.495 -0.792) 3.042 15.615 ( 1.539 -7.258 1.326) 7.537 15.730 ( -2.688 -6.097 -1.281) 6.785 15.868 ( -0.971 -1.776 0.925) 2.225 15.884 ( 0.799 -0.172 0.409) 0.914 15.941 ( 0.803 -5.474 -0.014) 5.533 16.006 ( -1.766 -1.736 -1.756) 3.035 16.191 ( -1.341 0.430 2.589) 2.947 16.306 ( -10.365 0.333 0.557) 10.385 16.343 ( -0.721 -3.230 -0.853) 3.418 16.419 ( -2.036 -4.748 -1.476) 5.373 16.547 ( -1.755 -1.219 -0.212) 2.148 16.578 ( -2.427 1.936 -0.339) 3.124 16.805 ( 3.450 5.639 0.849) 6.665 16.864 ( 0.233 6.525 -0.530) 6.550 18.069 ( 1.275 4.658 2.000) 5.227 18.129 ( -1.608 4.870 2.936) 5.910 18.288 ( 4.798 6.760 -2.644) 8.701 18.595 ( -10.515 6.245 -10.689) 16.242 19.060 ( 0.689 -2.877 1.328) 3.243 19.106 ( -0.353 -3.225 1.420) 3.541 19.145 ( -1.677 -3.327 3.398) 5.043 19.210 ( -2.477 -4.021 0.705) 4.775 ======================= Grid point 136 (48/108) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -18.787 24.903 12.753) 33.701 2.367 ( 18.787 24.903 12.753) 33.701 2.553 ( -25.269 24.314 8.305) 36.037 2.553 ( 25.269 24.314 8.305) 36.037 3.400 ( -12.954 13.098 -16.979) 25.053 3.400 ( 12.954 13.098 -16.979) 25.053 3.788 ( -13.418 22.537 -23.496) 35.214 3.788 ( 13.418 22.537 -23.496) 35.214 4.214 ( -19.025 27.284 12.355) 35.482 4.214 ( 19.025 27.284 12.355) 35.482 4.326 ( -7.495 17.419 16.818) 25.346 4.326 ( 7.495 17.419 16.818) 25.346 4.840 ( -4.711 8.773 7.643) 12.553 4.840 ( 4.711 8.773 7.643) 12.553 5.194 ( -4.816 13.856 9.120) 17.273 5.194 ( 4.816 13.856 9.120) 17.273 5.622 ( -7.856 24.389 -2.706) 25.766 5.622 ( 7.856 24.389 -2.706) 25.766 5.779 ( -1.931 12.387 -6.780) 14.252 5.779 ( 1.931 12.387 -6.780) 14.252 5.968 ( -4.259 10.715 1.355) 11.610 5.968 ( 4.259 10.715 1.355) 11.610 6.072 ( -1.599 15.226 -10.409) 18.513 6.072 ( 1.599 15.226 -10.409) 18.513 6.181 ( -1.882 18.981 -1.408) 19.126 6.181 ( 1.882 18.981 -1.408) 19.126 6.573 ( -3.388 16.928 -13.812) 22.109 6.573 ( 3.388 16.928 -13.812) 22.109 7.191 ( -5.862 10.860 6.629) 14.009 7.191 ( 5.862 10.860 6.629) 14.009 7.416 ( -0.769 4.036 3.307) 5.274 7.416 ( 0.769 4.036 3.307) 5.274 7.562 ( -3.087 1.138 5.283) 6.223 7.562 ( 3.087 1.138 5.283) 6.223 7.943 ( -3.665 -6.453 -4.015) 8.438 7.943 ( 3.665 -6.453 -4.015) 8.438 8.196 ( -3.492 -4.324 5.845) 8.066 8.196 ( 3.492 -4.324 5.845) 8.066 8.700 ( -8.403 -10.961 -3.439) 14.232 8.700 ( 8.403 -10.961 -3.439) 14.232 12.192 ( -9.554 2.883 2.213) 10.222 12.192 ( 9.554 2.883 2.213) 10.222 12.719 ( -4.795 -10.376 -2.863) 11.783 12.719 ( 4.795 -10.376 -2.863) 11.783 13.913 ( -3.253 -3.655 0.115) 4.894 13.913 ( 3.253 -3.655 0.115) 4.894 14.036 ( -3.534 -6.173 -0.115) 7.114 14.036 ( 3.534 -6.173 -0.115) 7.114 14.142 ( -2.205 -2.253 0.330) 3.170 14.142 ( 2.205 -2.253 0.330) 3.170 14.549 ( -3.614 3.702 -1.488) 5.383 14.549 ( 3.614 3.702 -1.488) 5.383 14.716 ( -3.863 -7.836 -0.490) 8.750 14.716 ( 3.863 -7.836 -0.490) 8.750 14.903 ( -2.367 -5.640 0.313) 6.124 14.903 ( 2.367 -5.640 0.313) 6.124 15.150 ( -1.616 4.097 1.187) 4.562 15.150 ( 1.616 4.097 1.187) 4.562 15.312 ( -4.147 -6.319 1.300) 7.669 15.312 ( 4.147 -6.319 1.300) 7.669 15.391 ( -3.814 -2.293 0.142) 4.453 15.391 ( 3.814 -2.293 0.142) 4.453 15.669 ( -3.743 -7.940 -0.907) 8.825 15.669 ( 3.743 -7.940 -0.907) 8.825 15.888 ( -1.518 -1.383 0.004) 2.054 15.888 ( 1.518 -1.383 0.004) 2.054 15.977 ( -2.247 -6.281 -0.445) 6.685 15.977 ( 2.247 -6.281 -0.445) 6.685 16.165 ( -2.013 3.889 1.521) 4.636 16.165 ( 2.013 3.889 1.521) 4.636 16.376 ( -3.026 -5.852 -1.667) 6.796 16.376 ( 3.026 -5.852 -1.667) 6.796 16.540 ( -1.244 3.716 0.210) 3.924 16.540 ( 1.244 3.716 0.210) 3.924 16.852 ( -1.563 7.162 0.242) 7.335 16.852 ( 1.563 7.162 0.242) 7.335 18.097 ( -1.672 4.809 2.443) 5.647 18.097 ( 1.672 4.809 2.443) 5.647 18.412 ( -8.452 7.156 -5.427) 12.333 18.412 ( 8.452 7.156 -5.427) 12.333 19.079 ( -1.399 -3.114 2.440) 4.196 19.079 ( 1.399 -3.114 2.440) 4.196 19.165 ( -2.213 -3.537 0.362) 4.188 19.165 ( 2.213 -3.537 0.362) 4.188 ======================= Grid point 140 (49/108) ======================= q-point: ( 0.00 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 35.600 8.756) 36.661 2.519 ( 0.000 39.737 12.630) 41.696 3.103 ( 0.000 26.771 -24.841) 36.521 3.684 ( 0.000 27.062 -7.025) 27.959 3.800 ( 0.000 23.311 -9.662) 25.234 4.066 ( 0.000 21.522 1.432) 21.569 4.078 ( 0.000 18.532 22.776) 29.363 4.214 ( 0.000 12.241 -1.660) 12.353 4.451 ( 0.000 18.929 -6.334) 19.961 4.475 ( 0.000 19.636 6.868) 20.802 4.574 ( 0.000 55.097 10.587) 56.105 5.002 ( 0.000 11.564 7.691) 13.888 5.080 ( 0.000 13.133 6.128) 14.492 5.163 ( 0.000 22.860 -10.837) 25.299 5.325 ( 0.000 14.729 5.674) 15.784 5.554 ( 0.000 14.983 -3.326) 15.348 5.657 ( 0.000 16.507 2.343) 16.672 5.896 ( 0.000 6.256 7.743) 9.954 6.021 ( 0.000 16.905 12.101) 20.790 6.165 ( 0.000 14.318 -3.953) 14.853 6.201 ( 0.000 25.062 -10.475) 27.163 6.246 ( 0.000 8.498 -7.937) 11.628 6.573 ( 0.000 37.576 -8.388) 38.501 6.705 ( 0.000 27.911 -2.861) 28.058 6.783 ( 0.000 20.501 -4.799) 21.055 6.897 ( 0.000 12.881 -4.907) 13.785 7.073 ( 0.000 15.943 -3.400) 16.302 7.107 ( 0.000 19.193 1.690) 19.268 7.219 ( 0.000 14.340 8.914) 16.885 7.336 ( 0.000 6.489 0.603) 6.517 7.498 ( 0.000 9.012 -11.620) 14.705 7.556 ( 0.000 2.871 5.125) 5.874 7.583 ( 0.000 4.043 -1.750) 4.406 7.683 ( 0.000 3.290 2.166) 3.939 7.906 ( 0.000 5.932 2.592) 6.474 7.950 ( 0.000 2.766 4.689) 5.443 7.995 ( 0.000 2.570 -5.101) 5.712 8.123 ( 0.000 -9.229 3.608) 9.909 8.400 ( 0.000 7.421 6.606) 9.936 8.781 ( 0.000 -8.280 -3.083) 8.835 12.005 ( 0.000 7.828 2.883) 8.342 12.270 ( 0.000 -3.690 -3.755) 5.265 12.655 ( 0.000 -16.649 4.879) 17.350 12.927 ( 0.000 -10.991 -1.748) 11.129 13.415 ( 0.000 -8.002 1.449) 8.133 13.483 ( 0.000 -6.835 -0.568) 6.858 13.753 ( 0.000 -7.178 0.767) 7.219 13.857 ( 0.000 -10.764 -2.499) 11.051 14.169 ( 0.000 -9.671 0.873) 9.711 14.225 ( 0.000 -7.937 -2.214) 8.240 14.416 ( 0.000 1.614 3.002) 3.409 14.501 ( 0.000 5.448 -0.013) 5.448 14.744 ( 0.000 0.938 0.119) 0.946 14.779 ( 0.000 -2.174 -0.767) 2.305 14.809 ( 0.000 0.629 -2.369) 2.451 14.864 ( 0.000 -2.152 -4.042) 4.579 15.031 ( 0.000 -1.600 0.048) 1.600 15.107 ( 0.000 1.541 5.357) 5.574 15.125 ( 0.000 1.226 -2.040) 2.380 15.137 ( 0.000 4.580 2.641) 5.287 15.195 ( 0.000 4.409 0.531) 4.441 15.401 ( 0.000 4.768 -2.450) 5.361 15.473 ( 0.000 -5.873 3.367) 6.769 15.649 ( 0.000 -8.475 -1.333) 8.579 15.855 ( 0.000 -2.530 -0.207) 2.538 15.875 ( 0.000 0.506 -0.624) 0.803 15.976 ( 0.000 0.993 1.587) 1.872 16.115 ( 0.000 3.557 -3.201) 4.785 16.173 ( 0.000 -3.578 -0.166) 3.581 16.211 ( 0.000 -11.355 -1.098) 11.408 16.351 ( 0.000 -8.478 2.974) 8.984 16.420 ( 0.000 -7.987 0.355) 7.995 16.589 ( 0.000 1.471 3.277) 3.592 16.687 ( 0.000 0.378 -1.027) 1.094 16.714 ( 0.000 4.149 -0.179) 4.153 16.912 ( 0.000 3.390 -3.119) 4.606 18.111 ( 0.000 1.680 2.134) 2.716 18.211 ( 0.000 0.031 2.799) 2.800 18.298 ( 0.000 1.956 -0.323) 1.983 18.773 ( 0.000 -5.222 -12.108) 13.186 18.979 ( 0.000 -4.207 0.885) 4.299 19.017 ( 0.000 -4.411 0.403) 4.430 19.146 ( 0.000 -8.784 3.353) 9.402 19.151 ( 0.000 -6.856 1.003) 6.929 ======================= Grid point 141 (50/108) ======================= q-point: ( 0.17 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 15.475 33.070 8.368) 37.458 2.579 ( 6.154 39.132 12.608) 41.571 3.196 ( 9.329 25.713 -23.366) 35.974 3.552 ( -13.085 26.858 4.418) 30.200 3.804 ( 1.523 24.121 -19.623) 31.132 3.909 ( -12.894 21.733 2.423) 25.386 4.100 ( -4.379 15.056 2.998) 15.964 4.204 ( 4.007 15.577 12.403) 20.311 4.469 ( 1.871 14.582 5.581) 15.725 4.571 ( 7.918 31.782 -0.807) 32.764 4.649 ( 5.504 44.850 2.586) 45.260 5.029 ( -3.712 18.555 -2.318) 19.064 5.061 ( 3.466 9.337 7.467) 12.448 5.151 ( 2.279 16.946 2.176) 17.237 5.439 ( 6.818 17.884 8.477) 20.933 5.543 ( -0.119 10.701 -1.136) 10.762 5.615 ( -1.764 20.835 3.952) 21.280 5.915 ( -6.495 12.310 8.094) 16.100 5.938 ( 2.617 8.909 3.509) 9.926 6.213 ( 0.646 20.073 -6.554) 21.125 6.239 ( -0.170 11.307 -6.402) 12.995 6.244 ( 4.421 16.020 -2.278) 16.774 6.576 ( 0.399 33.580 -10.430) 35.165 6.687 ( -2.669 30.195 -4.242) 30.609 6.768 ( -7.620 18.025 -4.251) 20.025 6.781 ( -3.685 26.080 -1.392) 26.376 7.019 ( -6.185 18.637 0.908) 19.658 7.144 ( 5.985 11.591 -4.234) 13.715 7.220 ( -3.415 8.823 0.303) 9.466 7.388 ( 5.114 11.291 3.511) 12.883 7.473 ( -2.116 10.543 -9.404) 14.285 7.509 ( -0.653 4.304 1.159) 4.504 7.644 ( 2.504 3.114 1.029) 4.126 7.714 ( 2.726 1.908 2.123) 3.947 7.880 ( -2.286 7.481 4.028) 8.799 7.906 ( -3.410 2.031 2.017) 4.453 8.025 ( 2.087 1.676 -2.364) 3.571 8.171 ( 4.996 -9.365 3.315) 11.120 8.371 ( -3.019 6.799 6.112) 9.628 8.742 ( -4.125 -8.676 -2.782) 10.001 12.031 ( 2.833 6.699 2.928) 7.841 12.292 ( 2.437 -3.176 -3.575) 5.368 12.586 ( -6.800 -14.508 4.385) 16.612 12.845 ( -7.747 -9.791 -1.975) 12.640 13.490 ( 7.622 -7.102 1.340) 10.503 13.545 ( 6.289 -6.691 -0.294) 9.187 13.823 ( 6.061 -8.038 0.250) 10.070 13.914 ( 5.423 -11.348 -1.509) 12.668 14.127 ( -4.022 -9.422 0.161) 10.246 14.220 ( -1.401 -7.493 0.009) 7.623 14.400 ( -0.417 1.703 1.102) 2.071 14.467 ( -2.752 4.807 -0.084) 5.539 14.745 ( -2.934 -3.396 -1.123) 4.627 14.801 ( 4.580 -1.446 -0.451) 4.824 14.831 ( -0.356 2.399 -2.079) 3.194 14.864 ( 1.019 -2.803 -3.200) 4.374 15.008 ( -2.335 -0.608 0.599) 2.486 15.080 ( -1.170 0.315 2.637) 2.902 15.132 ( 0.756 4.152 1.615) 4.519 15.156 ( 1.723 0.672 0.901) 2.057 15.231 ( 4.071 0.756 1.257) 4.328 15.447 ( 4.428 4.650 -2.239) 6.800 15.477 ( -0.029 -6.072 2.289) 6.490 15.631 ( -1.975 -8.849 -1.314) 9.162 15.853 ( -0.956 -3.883 -0.004) 3.999 15.871 ( -0.401 0.157 -0.633) 0.765 15.931 ( -4.525 -0.097 1.339) 4.719 16.059 ( -5.215 -0.153 -2.935) 5.986 16.157 ( 0.005 -2.567 0.916) 2.726 16.209 ( -0.092 -9.868 -0.491) 9.880 16.345 ( -1.480 -4.935 2.148) 5.582 16.427 ( -0.533 -5.087 0.156) 5.118 16.567 ( -0.739 2.865 1.441) 3.291 16.668 ( -1.016 2.181 -1.459) 2.814 16.787 ( 5.741 2.418 0.691) 6.267 16.935 ( 2.019 3.126 -2.343) 4.398 18.116 ( 0.627 1.598 2.144) 2.746 18.204 ( -0.708 0.136 2.980) 3.065 18.315 ( 1.870 1.906 -0.991) 2.848 18.738 ( -3.920 -4.575 -11.651) 13.117 18.981 ( 0.142 -4.286 1.010) 4.405 19.020 ( 0.283 -4.683 0.652) 4.737 19.107 ( -3.370 -7.163 3.647) 8.716 19.139 ( -1.253 -6.649 0.914) 6.828 ======================= Grid point 142 (51/108) ======================= q-point: ( 0.33 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 22.595 28.938 7.259) 37.425 2.743 ( 11.518 36.787 12.345) 40.476 3.236 ( -13.875 29.689 4.685) 33.105 3.439 ( 3.776 27.194 -11.634) 29.819 3.561 ( -13.943 19.245 -0.509) 23.771 3.866 ( -2.998 18.241 -15.201) 23.934 4.040 ( 4.113 20.048 -18.494) 27.584 4.333 ( 7.389 16.111 13.885) 22.516 4.482 ( -3.555 11.797 3.858) 12.911 4.563 ( -7.119 20.376 -8.135) 23.066 4.809 ( 12.639 50.358 6.959) 52.384 5.023 ( 1.123 15.170 2.762) 15.460 5.118 ( 0.060 9.010 4.180) 9.932 5.156 ( -0.708 21.088 6.410) 22.052 5.512 ( 0.448 26.437 16.925) 31.394 5.591 ( -2.382 19.894 12.910) 23.835 5.624 ( 10.765 10.633 2.612) 15.354 5.880 ( 4.011 5.447 -3.425) 7.582 5.976 ( 0.833 8.486 -0.422) 8.537 6.206 ( -4.881 6.454 -1.819) 8.294 6.219 ( -1.621 21.359 -5.321) 22.071 6.279 ( -1.054 15.670 0.165) 15.706 6.506 ( -4.800 23.845 -1.560) 24.374 6.637 ( 0.516 35.028 -11.348) 36.824 6.683 ( -1.273 30.596 -2.099) 30.694 6.745 ( -2.363 26.803 -3.677) 27.157 6.901 ( -5.001 17.125 -4.384) 18.371 7.080 ( -8.747 16.456 -11.728) 22.020 7.291 ( 7.486 8.810 -2.384) 11.804 7.461 ( -0.069 9.216 -6.696) 11.391 7.480 ( 3.867 7.556 2.499) 8.848 7.509 ( 1.378 7.387 3.667) 8.361 7.660 ( -0.850 7.215 1.104) 7.348 7.725 ( -3.684 0.249 3.243) 4.915 7.844 ( 0.339 12.095 3.470) 12.587 7.877 ( 0.395 -1.798 -1.055) 2.121 8.069 ( 3.083 0.224 1.869) 3.612 8.255 ( -1.776 -0.436 8.937) 9.123 8.334 ( 4.483 -4.601 -1.084) 6.514 8.634 ( -7.231 -9.524 -2.109) 12.143 12.112 ( 5.870 3.837 3.059) 7.651 12.352 ( 2.100 1.528 -1.761) 3.137 12.442 ( -5.863 -14.050 2.206) 15.383 12.677 ( -9.509 -8.331 -2.441) 12.876 13.673 ( 11.057 -4.915 1.020) 12.143 13.694 ( 8.957 -6.581 0.326) 11.119 13.917 ( 2.644 -7.843 -0.800) 8.315 14.014 ( 2.772 -9.190 -1.714) 9.751 14.031 ( -4.885 -7.210 2.659) 9.105 14.155 ( -4.868 -4.458 1.347) 6.737 14.425 ( 1.340 -0.201 -0.656) 1.506 14.460 ( 4.761 -2.598 -0.593) 5.456 14.654 ( -6.711 -4.466 -0.566) 8.081 14.764 ( -6.433 -4.703 -3.468) 8.690 14.844 ( 0.476 0.078 -1.211) 1.303 14.891 ( -1.284 1.400 -3.001) 3.552 15.008 ( 5.681 -0.389 3.993) 6.955 15.101 ( 3.235 -3.847 3.420) 6.079 15.196 ( 5.335 0.210 0.839) 5.404 15.211 ( 3.560 -1.161 0.832) 3.835 15.289 ( 1.262 -2.080 -0.113) 2.435 15.456 ( -2.125 -4.875 1.251) 5.463 15.512 ( -0.219 1.089 -3.233) 3.419 15.575 ( -3.867 -8.391 -1.381) 9.342 15.786 ( -1.806 -4.993 2.338) 5.802 15.864 ( -0.655 -1.983 -0.512) 2.150 15.900 ( 0.342 0.040 -0.083) 0.355 15.958 ( -4.322 -1.702 -1.765) 4.969 16.180 ( 1.212 -1.468 1.595) 2.484 16.198 ( -1.274 -6.783 0.591) 6.926 16.299 ( -2.187 -1.940 0.280) 2.937 16.378 ( -4.010 -1.071 -0.767) 4.221 16.588 ( 2.410 3.841 0.335) 4.547 16.653 ( -0.784 3.648 -1.223) 3.927 16.892 ( 4.877 2.473 0.442) 5.486 16.966 ( 0.862 3.060 -1.230) 3.409 18.133 ( 1.167 1.355 2.264) 2.885 18.185 ( -1.307 0.507 2.951) 3.267 18.373 ( 4.514 1.433 -2.522) 5.366 18.627 ( -7.516 -2.356 -8.794) 11.806 18.985 ( 0.403 -4.526 1.448) 4.769 19.019 ( -0.931 -5.493 2.628) 6.160 19.061 ( -0.564 -4.901 1.269) 5.094 19.109 ( -1.845 -6.027 0.457) 6.319 ======================= Grid point 143 (52/108) ======================= q-point: (-0.50 0.19 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -13.153 31.630 8.730) 35.351 2.947 ( 13.153 31.630 8.730) 35.351 3.088 ( -21.953 28.480 7.987) 36.835 3.088 ( 21.953 28.480 7.987) 36.835 3.712 ( -11.261 18.188 -16.124) 26.788 3.712 ( 11.261 18.188 -16.124) 26.788 4.243 ( -14.188 21.094 -23.122) 34.364 4.243 ( 14.188 21.094 -23.122) 34.364 4.478 ( -5.006 13.175 15.251) 20.766 4.478 ( 5.006 13.175 15.251) 20.766 5.016 ( -5.126 22.996 1.458) 23.605 5.016 ( 5.126 22.996 1.458) 23.605 5.101 ( -2.872 26.752 9.371) 28.491 5.101 ( 2.872 26.752 9.371) 28.491 5.528 ( -2.749 20.861 16.810) 26.931 5.528 ( 2.749 20.861 16.810) 26.931 5.913 ( -14.475 6.698 2.195) 16.100 5.913 ( 14.475 6.698 2.195) 16.100 5.979 ( -6.532 8.904 -3.773) 11.670 5.979 ( 6.532 8.904 -3.773) 11.670 6.242 ( -2.231 18.510 -1.827) 18.733 6.242 ( 2.231 18.510 -1.827) 18.733 6.558 ( -6.927 24.740 -3.012) 25.867 6.558 ( 6.927 24.740 -3.012) 25.867 6.701 ( -2.245 30.288 -2.830) 30.503 6.701 ( 2.245 30.288 -2.830) 30.503 6.922 ( -6.831 20.602 -14.208) 25.942 6.922 ( 6.831 20.602 -14.208) 25.942 7.409 ( -4.830 7.421 -3.862) 9.660 7.409 ( 4.830 7.421 -3.862) 9.660 7.545 ( -1.115 8.866 1.358) 9.038 7.545 ( 1.115 8.866 1.358) 9.038 7.641 ( -1.677 6.590 4.649) 8.237 7.641 ( 1.677 6.590 4.649) 8.237 7.873 ( -1.460 2.682 -1.400) 3.359 7.873 ( 1.460 2.682 -1.400) 3.359 8.156 ( -6.001 1.955 6.900) 9.351 8.156 ( 6.001 1.955 6.900) 9.351 8.482 ( -8.720 -9.973 -1.499) 13.332 8.482 ( 8.720 -9.973 -1.499) 13.332 12.245 ( -8.139 0.635 3.203) 8.770 12.245 ( 8.139 0.635 3.203) 8.770 12.510 ( -7.946 -8.443 -2.798) 11.927 12.510 ( 7.946 -8.443 -2.798) 11.927 13.833 ( -1.350 -5.476 0.579) 5.670 13.833 ( 1.350 -5.476 0.579) 5.670 13.907 ( -3.223 -5.870 0.297) 6.703 13.907 ( 3.223 -5.870 0.297) 6.703 14.077 ( -3.272 -4.608 0.727) 5.699 14.077 ( 3.272 -4.608 0.727) 5.699 14.499 ( -5.724 -5.410 0.741) 7.911 14.499 ( 5.724 -5.410 0.741) 7.911 14.616 ( -7.638 -4.955 -3.192) 9.647 14.616 ( 7.638 -4.955 -3.192) 9.647 14.860 ( -1.393 1.199 -1.741) 2.532 14.860 ( 1.393 1.199 -1.741) 2.532 15.122 ( -3.488 -4.889 5.300) 8.010 15.122 ( 3.488 -4.889 5.300) 8.010 15.251 ( -0.686 -3.094 -1.213) 3.393 15.251 ( 0.686 -3.094 -1.213) 3.393 15.355 ( -7.672 -0.207 -0.323) 7.682 15.355 ( 7.672 -0.207 -0.323) 7.682 15.507 ( -2.498 -6.382 -1.579) 7.033 15.507 ( 2.498 -6.382 -1.579) 7.033 15.828 ( -3.370 -4.060 1.084) 5.386 15.828 ( 3.370 -4.060 1.084) 5.386 15.913 ( -1.114 -0.376 -0.803) 1.424 15.913 ( 1.114 -0.376 -0.803) 1.424 16.179 ( -0.154 -1.774 1.591) 2.388 16.179 ( 0.154 -1.774 1.591) 2.388 16.308 ( -2.833 -1.478 -1.267) 3.437 16.308 ( 2.833 -1.478 -1.267) 3.437 16.631 ( -1.792 4.407 -0.374) 4.772 16.631 ( 1.792 4.407 -0.374) 4.772 16.957 ( -1.998 2.944 -0.330) 3.573 16.957 ( 1.998 2.944 -0.330) 3.573 18.158 ( -1.457 0.973 2.588) 3.125 18.158 ( 1.457 0.973 2.588) 3.125 18.484 ( -7.216 0.079 -5.034) 8.799 18.484 ( 7.216 0.079 -5.034) 8.799 18.997 ( -0.936 -4.959 2.354) 5.569 18.997 ( 0.936 -4.959 2.354) 5.569 19.076 ( -1.539 -5.275 0.166) 5.497 19.076 ( 1.539 -5.275 0.166) 5.497 ======================= Grid point 147 (53/108) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 0.000 34.344 7.026) 35.056 3.309 ( 0.000 38.160 6.790) 38.759 3.686 ( 0.000 30.389 -18.209) 35.426 4.266 ( 0.000 28.853 -9.154) 30.271 4.275 ( 0.000 24.085 -2.384) 24.203 4.411 ( 0.000 9.971 -0.326) 9.976 4.483 ( 0.000 20.114 21.194) 29.220 4.516 ( 0.000 21.577 -3.092) 21.797 4.735 ( 0.000 14.851 -6.671) 16.280 4.832 ( 0.000 16.964 5.460) 17.821 5.276 ( 0.000 16.052 3.266) 16.381 5.315 ( 0.000 11.575 0.783) 11.602 5.563 ( 0.000 18.232 -13.300) 22.568 5.619 ( 0.000 13.041 2.762) 13.330 5.748 ( 0.000 8.843 2.069) 9.082 5.813 ( 0.000 50.602 8.262) 51.272 5.958 ( 0.000 8.990 7.424) 11.659 6.039 ( 0.000 12.261 5.536) 13.453 6.261 ( 0.000 8.935 6.036) 10.783 6.457 ( 0.000 11.987 6.567) 13.667 6.520 ( 0.000 19.985 -2.554) 20.148 6.704 ( 0.000 19.689 -4.332) 20.160 6.952 ( 0.000 3.686 -1.786) 4.096 7.119 ( 0.000 15.571 -13.191) 20.407 7.245 ( 0.000 16.901 -7.125) 18.341 7.300 ( 0.000 2.446 0.331) 2.468 7.365 ( 0.000 24.027 -0.909) 24.045 7.411 ( 0.000 24.337 0.032) 24.337 7.430 ( 0.000 12.073 3.352) 12.530 7.513 ( 0.000 7.466 -2.512) 7.878 7.628 ( 0.000 0.321 -1.569) 1.602 7.681 ( 0.000 10.627 3.254) 11.114 7.875 ( 0.000 22.537 -5.840) 23.281 7.892 ( 0.000 22.594 -0.641) 22.603 7.975 ( 0.000 -1.320 8.447) 8.549 8.023 ( 0.000 12.792 4.804) 13.664 8.250 ( 0.000 15.766 -8.162) 17.753 8.255 ( 0.000 21.469 -10.354) 23.835 8.637 ( 0.000 16.610 6.970) 18.013 8.683 ( 0.000 3.578 5.081) 6.215 12.133 ( 0.000 2.949 -1.008) 3.117 12.191 ( 0.000 -4.259 -1.369) 4.474 12.355 ( 0.000 -11.339 7.367) 13.522 12.694 ( 0.000 -12.086 -1.981) 12.247 13.257 ( 0.000 -7.307 1.848) 7.537 13.367 ( 0.000 -4.456 -0.892) 4.544 13.619 ( 0.000 -5.842 -0.333) 5.852 13.667 ( 0.000 -7.593 -1.685) 7.778 14.013 ( 0.000 -5.610 -0.012) 5.610 14.056 ( 0.000 -8.063 -2.229) 8.365 14.432 ( 0.000 -0.835 4.504) 4.581 14.591 ( 0.000 2.066 -0.204) 2.076 14.730 ( 0.000 -2.756 -0.265) 2.769 14.792 ( 0.000 -1.422 -0.082) 1.424 14.795 ( 0.000 3.575 0.525) 3.614 14.804 ( 0.000 -3.105 -1.742) 3.560 14.979 ( 0.000 -3.371 2.328) 4.097 15.125 ( 0.000 -0.357 -1.562) 1.603 15.138 ( 0.000 1.337 2.036) 2.436 15.255 ( 0.000 5.715 0.728) 5.762 15.267 ( 0.000 1.694 -1.087) 2.013 15.386 ( 0.000 -1.791 1.342) 2.238 15.434 ( 0.000 -8.277 -2.539) 8.658 15.505 ( 0.000 2.837 -1.755) 3.336 15.788 ( 0.000 -4.283 0.059) 4.283 15.865 ( 0.000 -1.510 -1.162) 1.906 16.000 ( 0.000 0.809 1.447) 1.658 16.006 ( 0.000 -8.944 1.369) 9.048 16.094 ( 0.000 -3.967 -1.479) 4.233 16.149 ( 0.000 -0.858 -3.714) 3.811 16.248 ( 0.000 -1.607 0.783) 1.787 16.267 ( 0.000 -6.710 0.070) 6.710 16.606 ( 0.000 -0.281 2.120) 2.139 16.663 ( 0.000 -2.849 -0.568) 2.905 16.765 ( 0.000 0.727 1.037) 1.266 16.932 ( 0.000 -1.608 -2.250) 2.766 18.102 ( 0.000 -2.672 2.062) 3.375 18.161 ( 0.000 -4.824 2.806) 5.580 18.286 ( 0.000 -3.162 -0.427) 3.190 18.618 ( 0.000 -10.149 -8.191) 13.042 18.882 ( 0.000 -5.433 1.115) 5.546 18.900 ( 0.000 -7.300 2.505) 7.718 18.983 ( 0.000 -7.106 0.533) 7.126 18.994 ( 0.000 -8.580 0.358) 8.588 ======================= Grid point 148 (54/108) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 11.302 32.396 6.826) 34.983 3.365 ( 5.663 38.388 7.723) 39.564 3.747 ( 6.408 28.076 -18.445) 34.199 4.124 ( -12.141 28.259 2.482) 30.856 4.289 ( 1.352 23.365 -13.077) 26.810 4.315 ( -11.890 16.416 5.022) 20.882 4.452 ( -3.362 22.540 -6.376) 23.664 4.536 ( 4.237 17.249 18.034) 25.312 4.725 ( 0.537 12.177 -1.548) 12.286 4.960 ( 8.680 19.274 -3.945) 21.503 5.241 ( 0.050 10.801 1.978) 10.981 5.356 ( -2.647 14.867 -3.561) 15.515 5.506 ( 0.336 18.701 -3.238) 18.982 5.646 ( -5.719 14.749 5.823) 16.856 5.759 ( 10.213 11.422 1.544) 15.399 5.888 ( 4.581 39.633 3.661) 40.065 5.948 ( -1.026 11.019 7.083) 13.139 6.052 ( 0.627 10.105 6.868) 12.235 6.240 ( -1.559 15.150 10.439) 18.464 6.382 ( -4.521 11.479 3.728) 12.888 6.583 ( 3.826 18.592 -2.546) 19.152 6.679 ( -2.020 16.957 -3.045) 17.346 7.022 ( 5.388 5.694 -5.460) 9.553 7.072 ( -4.726 18.836 -10.357) 22.009 7.257 ( -2.728 8.565 -3.029) 9.486 7.306 ( 4.649 12.764 -3.148) 13.944 7.330 ( -6.778 12.677 3.566) 14.811 7.387 ( -0.709 22.916 -1.305) 22.964 7.415 ( 1.917 25.756 -1.570) 25.875 7.554 ( 2.458 5.553 -1.477) 6.249 7.651 ( 2.548 2.731 -0.620) 3.786 7.680 ( -0.444 11.371 0.275) 11.383 7.846 ( -2.041 21.491 -4.500) 22.052 7.914 ( 1.150 14.464 -1.084) 14.550 8.000 ( 2.524 10.508 5.096) 11.948 8.050 ( 2.466 9.046 5.344) 10.792 8.183 ( -3.328 14.254 -7.733) 16.554 8.276 ( -0.672 18.978 -8.914) 20.978 8.600 ( -3.704 15.285 7.337) 17.355 8.652 ( -3.372 6.351 5.275) 8.918 12.121 ( -0.945 -1.055 -0.437) 1.482 12.181 ( -1.172 -6.670 0.020) 6.772 12.368 ( 1.445 -5.761 5.024) 7.779 12.657 ( -3.680 -8.428 -1.919) 9.394 13.346 ( 9.008 -6.887 1.652) 11.459 13.428 ( 5.967 -4.731 -0.288) 7.620 13.667 ( 4.387 -7.214 -1.315) 8.545 13.708 ( 4.811 -8.579 -1.036) 9.890 13.963 ( -4.060 -6.178 0.182) 7.395 14.071 ( 0.470 -6.952 -0.471) 6.984 14.407 ( -2.174 -1.870 2.654) 3.907 14.545 ( -4.719 1.470 -0.349) 4.955 14.688 ( -4.386 -2.636 -0.530) 5.144 14.753 ( -3.899 -3.282 -1.672) 5.364 14.822 ( 2.773 -1.839 -0.081) 3.328 14.848 ( 2.768 1.067 -0.841) 3.083 14.967 ( -0.536 -2.457 2.642) 3.647 15.075 ( -2.453 0.225 3.458) 4.246 15.164 ( -0.517 0.904 -2.455) 2.666 15.219 ( -1.183 1.550 0.053) 1.951 15.276 ( -0.078 1.877 1.044) 2.150 15.373 ( -1.324 -4.283 -0.079) 4.484 15.446 ( 0.985 -5.061 -1.219) 5.298 15.542 ( 3.298 3.434 -2.238) 5.261 15.762 ( -3.246 -4.877 0.442) 5.876 15.853 ( -1.401 -2.051 -1.104) 2.718 15.940 ( -4.481 0.984 0.984) 4.692 16.000 ( -1.876 -6.466 0.403) 6.745 16.068 ( -0.579 -3.554 -1.622) 3.950 16.101 ( -1.187 -2.945 -1.358) 3.453 16.276 ( 1.958 -2.216 1.022) 3.129 16.344 ( 3.068 -3.034 -0.497) 4.344 16.610 ( 0.957 0.907 1.170) 1.763 16.670 ( 0.891 -2.095 -0.929) 2.459 16.810 ( 4.276 -0.399 1.159) 4.448 16.950 ( 1.645 -1.851 -1.873) 3.105 18.105 ( 0.365 -2.825 2.078) 3.526 18.158 ( -0.418 -4.691 2.801) 5.480 18.300 ( 1.495 -3.379 -0.815) 3.783 18.593 ( -2.777 -9.754 -7.618) 12.684 18.881 ( -0.062 -5.547 1.184) 5.673 18.898 ( -0.242 -7.347 2.667) 7.820 18.968 ( -1.176 -6.433 0.266) 6.545 18.988 ( -0.678 -8.233 0.326) 8.267 ======================= Grid point 149 (55/108) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 18.365 27.938 6.225) 34.008 3.503 ( 8.722 38.082 8.770) 40.040 3.877 ( -14.128 29.188 2.629) 32.534 3.890 ( 4.364 21.221 -12.715) 25.120 4.040 ( -11.632 26.681 3.854) 29.360 4.263 ( -5.204 20.676 -10.385) 23.716 4.459 ( 5.233 22.191 -14.263) 26.893 4.635 ( 4.849 13.888 16.063) 21.781 4.733 ( 0.211 14.143 -2.474) 14.359 4.988 ( -7.208 21.196 -10.129) 24.573 5.256 ( 0.322 9.501 -0.976) 9.556 5.313 ( 0.473 13.526 -7.039) 15.256 5.522 ( 2.927 18.499 13.455) 23.061 5.644 ( 4.326 16.434 4.792) 17.657 5.878 ( -5.846 13.907 10.345) 18.292 5.923 ( -1.579 7.481 1.546) 7.800 5.964 ( 9.002 10.389 2.884) 14.046 6.086 ( 3.713 19.015 5.780) 20.218 6.235 ( 1.284 27.106 10.834) 29.219 6.342 ( 0.355 11.792 4.458) 12.612 6.621 ( -0.600 21.008 -4.121) 21.417 6.651 ( -0.313 16.622 -1.766) 16.719 6.946 ( -6.234 19.514 -5.628) 21.245 7.048 ( -6.617 9.085 -2.025) 11.421 7.242 ( 3.311 14.810 -4.829) 15.925 7.252 ( 1.047 14.071 -3.849) 14.626 7.340 ( -3.240 21.070 -2.812) 21.502 7.417 ( 3.680 17.917 -1.084) 18.323 7.462 ( 2.688 18.232 -1.010) 18.456 7.582 ( 0.216 6.390 -0.676) 6.429 7.654 ( -0.127 6.435 -1.010) 6.515 7.729 ( 3.294 14.583 -4.617) 15.647 7.803 ( -1.748 17.301 -1.553) 17.458 7.918 ( -1.800 13.462 -1.540) 13.669 8.026 ( 1.476 22.191 -6.448) 23.156 8.118 ( 3.899 -1.525 0.836) 4.269 8.181 ( 2.821 7.896 2.746) 8.823 8.234 ( -2.870 15.873 -5.520) 17.049 8.517 ( -4.491 15.965 8.038) 18.430 8.563 ( -5.666 11.167 5.943) 13.861 12.111 ( 0.038 -6.796 0.687) 6.830 12.152 ( -1.696 -11.136 1.650) 11.384 12.409 ( 2.961 2.366 1.370) 4.030 12.571 ( -5.117 -1.482 -1.635) 5.572 13.555 ( 10.202 -6.734 1.048) 12.269 13.564 ( 9.652 -6.220 1.266) 11.553 13.759 ( 4.316 -7.670 -2.092) 9.046 13.811 ( 2.680 -10.383 -3.237) 11.201 13.898 ( -0.118 -4.888 4.286) 6.502 14.056 ( -2.437 -4.989 1.556) 5.766 14.383 ( 0.419 -4.780 -0.729) 4.853 14.437 ( -5.351 -1.379 -0.282) 5.533 14.568 ( -7.969 -3.716 -0.920) 8.841 14.635 ( -8.251 -6.413 -2.454) 10.734 14.869 ( 1.633 -1.183 -1.044) 2.270 14.883 ( 0.730 0.883 -2.148) 2.434 14.987 ( 2.973 -2.236 3.547) 5.140 15.059 ( 0.374 -0.608 5.836) 5.880 15.133 ( -0.561 -0.462 -1.403) 1.580 15.239 ( -3.286 -4.139 0.943) 5.368 15.251 ( 2.825 -0.425 -0.338) 2.877 15.344 ( -1.615 -5.160 -0.354) 5.418 15.463 ( 0.457 -0.056 -1.484) 1.554 15.558 ( -3.648 1.458 -3.241) 5.093 15.716 ( 1.253 -1.871 1.756) 2.856 15.813 ( -2.487 -2.627 -0.709) 3.686 15.902 ( -0.111 0.234 0.092) 0.275 15.943 ( -2.501 -0.720 -1.109) 2.829 16.084 ( 2.280 -4.128 0.262) 4.723 16.134 ( 2.634 -3.327 -0.264) 4.252 16.269 ( -1.904 -0.973 0.639) 2.231 16.344 ( -2.727 -2.213 -0.503) 3.548 16.649 ( 2.790 1.642 0.013) 3.237 16.691 ( 0.932 -0.177 -1.064) 1.426 16.899 ( 4.675 -1.674 0.650) 5.007 16.976 ( 0.759 -2.091 -1.111) 2.487 18.115 ( 0.705 -3.230 2.177) 3.959 18.146 ( -0.772 -4.305 2.674) 5.127 18.344 ( 3.317 -4.225 -1.876) 5.690 18.518 ( -4.941 -8.199 -5.812) 11.198 18.880 ( 0.013 -5.860 1.427) 6.032 18.891 ( -0.505 -7.000 2.607) 7.486 18.952 ( -0.333 -5.915 -0.162) 5.926 18.972 ( -0.976 -7.494 0.123) 7.558 ======================= Grid point 150 (56/108) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( -17.669 24.587 5.414) 30.757 3.534 ( 17.669 24.587 5.414) 30.757 3.718 ( -9.817 34.696 7.467) 36.823 3.718 ( 9.817 34.696 7.467) 36.823 4.126 ( -8.904 22.042 -13.253) 27.217 4.126 ( 8.904 22.042 -13.253) 27.217 4.598 ( -7.624 15.579 -6.738) 18.607 4.598 ( 7.624 15.579 -6.738) 18.607 4.818 ( -8.226 19.487 -0.305) 21.154 4.818 ( 8.226 19.487 -0.305) 21.154 5.285 ( -2.409 11.659 -2.502) 12.165 5.285 ( 2.409 11.659 -2.502) 12.165 5.644 ( -6.943 20.379 9.561) 23.557 5.644 ( 6.943 20.379 9.561) 23.557 5.842 ( -4.614 5.472 7.412) 10.303 5.842 ( 4.614 5.472 7.412) 10.303 6.091 ( -3.760 8.268 3.175) 9.622 6.091 ( 3.760 8.268 3.175) 9.622 6.314 ( -5.117 25.508 6.777) 26.884 6.314 ( 5.117 25.508 6.777) 26.884 6.626 ( -2.152 21.827 -2.889) 22.122 6.626 ( 2.152 21.827 -2.889) 22.122 6.917 ( -4.100 14.499 -1.745) 15.169 6.917 ( 4.100 14.499 -1.745) 15.169 7.279 ( -2.758 14.547 -4.108) 15.365 7.279 ( 2.758 14.547 -4.108) 15.365 7.365 ( -6.130 22.162 -5.228) 23.581 7.365 ( 6.130 22.162 -5.228) 23.581 7.549 ( -3.830 8.051 -0.135) 8.916 7.549 ( 3.830 8.051 -0.135) 8.916 7.695 ( -3.950 12.635 -1.377) 13.310 7.695 ( 3.950 12.635 -1.377) 13.310 7.852 ( -4.389 18.192 -3.645) 19.066 7.852 ( 4.389 18.192 -3.645) 19.066 8.095 ( -4.831 12.317 -9.358) 16.206 8.095 ( 4.831 12.317 -9.358) 16.206 8.227 ( -0.385 2.399 5.268) 5.802 8.227 ( 0.385 2.399 5.268) 5.802 8.478 ( -1.742 17.240 7.481) 18.874 8.478 ( 1.742 17.240 7.481) 18.874 12.124 ( -1.225 -10.938 1.660) 11.131 12.124 ( 1.225 -10.938 1.660) 11.131 12.479 ( -4.498 3.486 -0.773) 5.743 12.479 ( 4.498 3.486 -0.773) 5.743 13.682 ( -3.944 -8.578 1.363) 9.539 13.682 ( 3.944 -8.578 1.363) 9.539 13.793 ( -3.871 -6.598 -1.204) 7.744 13.793 ( 3.871 -6.598 -1.204) 7.744 13.978 ( -5.395 -4.193 1.924) 7.099 13.978 ( 5.395 -4.193 1.924) 7.099 14.405 ( -2.612 -4.786 0.496) 5.475 14.405 ( 2.612 -4.786 0.496) 5.475 14.489 ( -4.947 -6.654 -3.196) 8.886 14.489 ( 4.947 -6.654 -3.196) 8.886 14.884 ( -0.349 0.578 -2.175) 2.277 14.884 ( 0.349 0.578 -2.175) 2.277 15.048 ( -2.331 -2.771 5.152) 6.298 15.048 ( 2.331 -2.771 5.152) 6.298 15.165 ( -3.621 -3.524 -0.002) 5.053 15.165 ( 3.621 -3.524 -0.002) 5.053 15.309 ( -2.560 -4.138 -0.050) 4.866 15.309 ( 2.560 -4.138 -0.050) 4.866 15.479 ( -2.575 2.325 -2.636) 4.357 15.479 ( 2.575 2.325 -2.636) 4.357 15.768 ( -2.752 -1.986 0.548) 3.438 15.768 ( 2.752 -1.986 0.548) 3.438 15.913 ( -1.038 -0.102 -0.564) 1.186 15.913 ( 1.038 -0.102 -0.564) 1.186 16.138 ( -2.705 -1.854 0.692) 3.351 16.138 ( 2.705 -1.854 0.692) 3.351 16.275 ( -3.394 -2.203 -0.668) 4.102 16.275 ( 3.395 -2.203 -0.668) 4.102 16.690 ( -1.197 1.214 -0.605) 1.809 16.690 ( 1.197 1.214 -0.605) 1.809 16.965 ( -2.125 -2.083 -0.255) 2.987 16.965 ( 2.125 -2.083 -0.255) 2.987 18.130 ( -0.887 -3.769 2.408) 4.559 18.130 ( 0.887 -3.769 2.408) 4.559 18.422 ( -4.944 -5.952 -3.587) 8.529 18.422 ( 4.944 -5.952 -3.587) 8.529 18.883 ( -0.288 -6.325 1.933) 6.620 18.883 ( 0.288 -6.325 1.933) 6.620 18.956 ( -0.618 -6.585 -0.105) 6.615 18.956 ( 0.618 -6.585 -0.105) 6.615 ======================= Grid point 154 (57/108) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 0.000 29.103 5.707) 29.657 4.014 ( 0.000 30.553 -4.992) 30.958 4.266 ( 0.000 26.101 -3.477) 26.331 4.591 ( 0.000 7.782 1.750) 7.977 4.649 ( 0.000 7.622 -2.444) 8.004 4.769 ( 0.000 23.377 1.740) 23.442 4.879 ( 0.000 19.723 11.695) 22.929 4.952 ( 0.000 23.827 -10.720) 26.127 5.057 ( 0.000 16.731 -0.924) 16.756 5.248 ( 0.000 24.495 0.969) 24.514 5.544 ( 0.000 10.214 -1.480) 10.320 5.644 ( 0.000 19.909 -2.395) 20.052 5.830 ( 0.000 9.884 -7.173) 12.212 5.832 ( 0.000 8.431 -0.298) 8.437 5.930 ( 0.000 9.983 7.307) 12.372 6.069 ( 0.000 2.720 3.855) 4.717 6.122 ( 0.000 8.906 7.620) 11.721 6.391 ( 0.000 8.124 -4.088) 9.095 6.671 ( 0.000 9.523 10.213) 13.964 6.680 ( 0.000 -0.448 -4.021) 4.046 6.802 ( 0.000 17.355 7.212) 18.794 6.977 ( 0.000 2.926 4.384) 5.271 7.127 ( 0.000 22.347 -0.337) 22.349 7.278 ( 0.000 0.469 -2.839) 2.877 7.412 ( 0.000 -6.768 1.038) 6.847 7.457 ( 0.000 11.584 -5.949) 13.022 7.477 ( 0.000 6.310 -6.614) 9.141 7.540 ( 0.000 -1.524 -1.552) 2.175 7.550 ( 0.000 11.340 -4.352) 12.147 7.881 ( 0.000 23.748 6.805) 24.704 8.066 ( 0.000 31.528 0.630) 31.535 8.106 ( 0.000 -0.893 -2.143) 2.322 8.180 ( 0.000 20.194 8.003) 21.722 8.235 ( 0.000 36.180 -5.455) 36.589 8.407 ( 0.000 15.802 -1.213) 15.849 8.411 ( 0.000 25.523 -3.689) 25.789 8.542 ( 0.000 27.957 -2.639) 28.082 8.725 ( 0.000 22.794 -7.846) 24.106 9.065 ( 0.000 27.528 4.221) 27.849 9.076 ( 0.000 26.336 4.414) 26.703 12.012 ( 0.000 -10.362 2.036) 10.560 12.092 ( 0.000 -5.665 -0.496) 5.687 12.304 ( 0.000 1.498 2.012) 2.509 12.447 ( 0.000 -12.244 -1.008) 12.285 13.153 ( 0.000 -2.332 1.957) 3.045 13.310 ( 0.000 -1.132 -1.703) 2.045 13.536 ( 0.000 -1.807 -0.512) 1.878 13.574 ( 0.000 -1.277 -0.874) 1.548 13.930 ( 0.000 -3.946 -0.972) 4.064 13.946 ( 0.000 -1.040 -0.885) 1.366 14.344 ( 0.000 -8.421 4.392) 9.497 14.513 ( 0.000 -9.391 -0.539) 9.407 14.688 ( 0.000 -0.824 0.492) 0.960 14.735 ( 0.000 -4.655 -0.724) 4.711 14.766 ( 0.000 -2.318 2.019) 3.074 14.866 ( 0.000 2.547 -0.133) 2.550 14.957 ( 0.000 2.363 3.636) 4.336 15.061 ( 0.000 -6.485 1.288) 6.611 15.153 ( 0.000 0.299 0.721) 0.781 15.250 ( 0.000 -3.023 -1.562) 3.403 15.320 ( 0.000 1.548 -3.384) 3.722 15.360 ( 0.000 2.323 -3.557) 4.248 15.425 ( 0.000 4.131 1.941) 4.564 15.572 ( 0.000 2.317 -3.003) 3.793 15.698 ( 0.000 -3.662 1.077) 3.817 15.825 ( 0.000 -1.936 -1.588) 2.504 15.843 ( 0.000 -7.277 1.564) 7.443 15.936 ( 0.000 -6.691 -0.792) 6.738 16.076 ( 0.000 1.391 -0.886) 1.649 16.110 ( 0.000 -1.950 -1.728) 2.605 16.167 ( 0.000 -2.908 0.867) 3.035 16.250 ( 0.000 0.577 -1.202) 1.333 16.565 ( 0.000 -3.819 0.301) 3.831 16.575 ( 0.000 -5.696 -0.110) 5.697 16.742 ( 0.000 -2.927 1.746) 3.409 16.850 ( 0.000 -6.296 -1.113) 6.393 18.006 ( 0.000 -6.545 1.667) 6.754 18.026 ( 0.000 -8.311 2.370) 8.642 18.177 ( 0.000 -7.511 -0.225) 7.515 18.374 ( 0.000 -13.788 -4.245) 14.426 18.746 ( 0.000 -7.554 1.940) 7.799 18.768 ( 0.000 -5.709 1.148) 5.823 18.815 ( 0.000 -9.044 -0.078) 9.044 18.852 ( 0.000 -6.209 -0.860) 6.268 ======================= Grid point 155 (58/108) ======================= q-point: ( 0.17 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 7.534 27.356 5.488) 28.900 4.071 ( 5.873 29.642 -4.633) 30.571 4.272 ( -0.059 23.574 -2.958) 23.759 4.511 ( -6.511 11.029 2.161) 12.989 4.644 ( -1.443 7.992 -2.193) 8.412 4.724 ( -5.368 25.187 2.868) 25.912 4.900 ( 1.983 21.347 4.244) 21.855 4.945 ( 0.177 24.573 -5.227) 25.123 5.025 ( -1.038 17.136 -1.603) 17.242 5.344 ( 6.128 18.704 0.374) 19.686 5.492 ( -2.491 13.206 -3.021) 13.774 5.648 ( -1.683 16.246 -6.114) 17.439 5.820 ( -2.162 7.625 -0.664) 7.953 5.863 ( -2.884 13.561 6.010) 15.110 5.907 ( 6.066 6.093 -1.351) 8.703 6.089 ( 0.437 5.046 3.479) 6.145 6.129 ( 0.967 8.054 8.404) 11.680 6.354 ( -1.657 7.474 -0.285) 7.661 6.586 ( -7.591 6.715 10.598) 14.664 6.739 ( 2.690 10.026 2.056) 10.582 6.830 ( 5.338 8.370 -1.949) 10.117 7.050 ( 5.312 7.871 3.939) 10.280 7.138 ( -0.407 15.052 0.305) 15.061 7.230 ( -2.238 7.183 -2.520) 7.934 7.413 ( -0.791 8.505 -7.193) 11.167 7.438 ( 0.258 -2.796 -1.129) 3.026 7.489 ( -2.644 -1.188 -1.097) 3.100 7.536 ( 2.379 3.663 -4.673) 6.396 7.626 ( 6.389 12.555 -4.229) 14.708 7.891 ( 0.611 22.160 6.599) 23.130 8.040 ( -2.159 18.071 3.653) 18.563 8.120 ( 1.598 19.629 0.019) 19.694 8.166 ( -0.474 18.410 -0.934) 18.440 8.276 ( 2.748 31.808 -1.421) 31.958 8.360 ( -3.961 14.763 -1.986) 15.414 8.417 ( -0.327 25.142 -3.109) 25.336 8.556 ( 1.670 29.714 -2.073) 29.833 8.698 ( -2.685 23.357 -7.506) 24.680 9.045 ( -2.024 27.904 4.167) 28.286 9.053 ( -2.349 26.043 4.358) 26.509 11.934 ( -4.384 -10.321 2.328) 11.453 12.117 ( -4.328 -4.594 -3.296) 7.120 12.289 ( 4.762 -4.426 4.838) 8.104 12.521 ( 4.588 -5.401 -1.499) 7.243 13.245 ( 9.068 -2.365 1.551) 9.499 13.365 ( 5.186 -1.349 -0.866) 5.428 13.555 ( 1.789 -3.398 -1.427) 4.097 13.586 ( 1.941 -3.097 -0.727) 3.726 13.888 ( -3.041 -1.460 -0.263) 3.384 13.966 ( 0.859 -2.899 0.664) 3.096 14.301 ( -3.883 -8.677 2.901) 9.939 14.470 ( -4.607 -8.568 -0.746) 9.757 14.630 ( -5.440 -3.090 -0.074) 6.257 14.669 ( -6.514 -5.163 -1.020) 8.375 14.805 ( 2.979 -0.551 1.719) 3.483 14.884 ( 1.357 1.438 -0.371) 2.011 14.959 ( -0.046 1.919 3.242) 3.768 15.044 ( -1.142 -4.299 3.184) 5.470 15.161 ( 0.414 -0.991 0.021) 1.074 15.210 ( -3.827 -0.955 -1.873) 4.367 15.282 ( -2.829 0.425 -1.425) 3.196 15.313 ( -4.064 -0.979 -2.411) 4.826 15.468 ( 3.228 3.927 -0.269) 5.090 15.594 ( 0.963 0.878 -3.263) 3.514 15.679 ( -0.918 -2.189 1.452) 2.783 15.798 ( -2.041 -3.537 -0.761) 4.154 15.864 ( 1.686 -5.683 0.641) 5.963 15.960 ( 1.885 -7.015 -1.683) 7.457 15.974 ( -4.085 2.417 0.882) 4.828 16.083 ( -2.610 0.659 -2.163) 3.453 16.248 ( 4.001 -0.779 0.126) 4.078 16.297 ( 2.448 -1.880 -0.552) 3.135 16.588 ( 2.475 -4.359 -0.014) 5.012 16.595 ( 2.074 -3.828 0.021) 4.354 16.767 ( 2.624 -3.819 1.398) 4.840 16.864 ( 1.328 -6.465 -1.024) 6.679 18.007 ( 0.038 -6.704 1.695) 6.915 18.025 ( -0.169 -8.208 2.330) 8.533 18.185 ( 0.926 -7.779 -0.466) 7.848 18.357 ( -1.786 -13.331 -3.938) 14.015 18.746 ( 0.011 -7.417 1.840) 7.642 18.765 ( -0.286 -5.833 1.183) 5.959 18.813 ( -0.105 -8.696 -0.148) 8.698 18.845 ( -0.705 -6.201 -0.746) 6.286 ======================= Grid point 156 (59/108) ======================= q-point: ( 0.33 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( 12.692 22.853 4.850) 26.587 4.186 ( -8.717 12.698 -3.011) 15.694 4.221 ( 7.851 30.725 1.639) 31.754 4.446 ( 1.194 20.383 -1.124) 20.449 4.575 ( -7.759 19.666 -1.028) 21.166 4.602 ( -5.033 19.858 1.055) 20.513 4.935 ( 1.516 22.677 -3.748) 23.034 4.954 ( 0.225 21.021 -5.472) 21.723 5.063 ( 5.284 17.948 3.315) 19.001 5.347 ( -5.526 11.860 -2.728) 13.366 5.491 ( 0.191 17.155 -4.087) 17.636 5.599 ( -2.401 15.074 -7.658) 17.078 5.785 ( 1.989 6.917 6.892) 9.965 5.889 ( 4.157 12.076 5.480) 13.898 5.983 ( 0.190 2.622 0.276) 2.643 6.052 ( -3.810 7.496 0.516) 8.424 6.166 ( 3.122 7.994 8.999) 12.435 6.334 ( -3.625 10.745 9.691) 14.917 6.503 ( 2.660 5.719 4.061) 7.501 6.742 ( -2.722 10.522 2.244) 11.098 6.938 ( 4.452 8.322 -3.692) 10.134 7.061 ( -4.544 5.331 2.771) 7.533 7.156 ( 5.432 6.178 -0.685) 8.255 7.267 ( 4.186 20.790 -4.144) 21.608 7.373 ( -3.953 6.326 -2.251) 7.792 7.432 ( -1.546 2.338 -1.820) 3.342 7.470 ( 1.890 0.639 -6.216) 6.528 7.563 ( 0.252 1.560 -3.842) 4.155 7.754 ( 6.331 12.291 -1.708) 13.931 7.880 ( -1.872 16.250 6.420) 17.572 8.025 ( 1.070 16.067 6.297) 17.290 8.157 ( 1.491 29.287 1.017) 29.343 8.178 ( 1.641 15.615 -5.409) 16.607 8.240 ( -6.085 13.719 -0.223) 15.009 8.334 ( 1.550 30.466 -3.150) 30.668 8.408 ( -0.816 24.351 -3.927) 24.679 8.595 ( 2.003 30.458 -1.742) 30.573 8.644 ( -2.407 25.422 -5.583) 26.139 8.999 ( -2.573 28.167 4.244) 28.601 9.000 ( -2.820 26.297 4.212) 26.781 11.884 ( -0.811 -10.428 1.955) 10.641 11.997 ( -6.390 -7.445 -0.685) 9.836 12.426 ( 7.753 -1.505 1.848) 8.111 12.574 ( 0.758 -0.378 -1.359) 1.601 13.440 ( 9.550 -3.770 0.883) 10.305 13.460 ( 4.794 -3.393 1.523) 6.067 13.616 ( 3.599 -7.336 -2.764) 8.626 13.631 ( 2.050 -5.230 -1.737) 5.880 13.856 ( 1.286 0.493 3.128) 3.418 13.970 ( -0.685 -3.167 2.450) 4.063 14.241 ( -1.214 -8.812 -0.309) 8.900 14.356 ( -6.538 -6.539 -0.798) 9.281 14.493 ( -8.667 -3.918 -1.196) 9.586 14.511 ( -9.711 -6.046 -1.501) 11.537 14.858 ( 2.487 0.158 0.607) 2.565 14.903 ( 0.394 -0.112 -1.056) 1.133 14.957 ( 0.491 -0.179 3.291) 3.333 15.027 ( -1.267 -3.562 4.614) 5.966 15.137 ( -2.500 0.071 -2.220) 3.344 15.154 ( -1.795 -2.191 0.116) 2.835 15.240 ( -1.080 -0.637 0.566) 1.375 15.254 ( -1.872 -3.762 -1.380) 4.423 15.515 ( 1.587 3.543 -1.751) 4.259 15.573 ( -2.279 0.342 -2.739) 3.580 15.698 ( 2.150 -0.466 0.817) 2.346 15.763 ( -1.601 -2.829 -0.436) 3.280 15.893 ( 0.911 -3.801 0.083) 3.910 15.913 ( -1.597 0.558 -0.143) 1.698 16.036 ( 4.746 -3.230 -1.029) 5.832 16.075 ( 2.277 0.786 -0.850) 2.554 16.259 ( -2.220 -0.424 -0.265) 2.275 16.295 ( -2.699 -2.162 0.037) 3.458 16.646 ( 2.819 -1.979 -0.216) 3.451 16.646 ( 2.986 -4.030 -0.378) 5.030 16.828 ( 3.458 -5.269 0.725) 6.343 16.887 ( 0.734 -6.598 -0.671) 6.672 18.009 ( 0.184 -7.088 1.796) 7.314 18.020 ( -0.320 -7.935 2.191) 8.238 18.212 ( 1.948 -8.654 -1.117) 8.941 18.312 ( -2.878 -11.982 -3.110) 12.709 18.747 ( 0.120 -7.052 1.600) 7.233 18.758 ( -0.418 -6.166 1.257) 6.307 18.813 ( 0.078 -7.869 -0.264) 7.873 18.830 ( -0.807 -6.417 -0.522) 6.489 ======================= Grid point 157 (60/108) ======================= q-point: (-0.50 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( -14.235 17.246 3.620) 22.653 3.947 ( 14.235 17.246 3.620) 22.653 4.401 ( -9.826 28.287 -0.167) 29.946 4.401 ( 9.826 28.287 -0.167) 29.946 4.513 ( -4.643 17.764 -2.214) 18.494 4.513 ( 4.643 17.764 -2.214) 18.494 4.953 ( -0.394 20.511 -4.392) 20.980 4.953 ( 0.394 20.511 -4.392) 20.980 5.198 ( -8.631 17.232 -1.438) 19.326 5.198 ( 8.631 17.232 -1.438) 19.326 5.528 ( -3.995 13.484 -3.795) 14.566 5.528 ( 3.995 13.484 -3.795) 14.566 5.895 ( -7.322 5.003 4.102) 9.770 5.895 ( 7.322 5.003 4.102) 9.770 5.980 ( -4.508 10.286 3.098) 11.650 5.980 ( 4.508 10.286 3.098) 11.650 6.241 ( -4.766 7.814 9.522) 13.208 6.241 ( 4.766 7.814 9.522) 13.208 6.633 ( -8.121 8.629 1.422) 11.935 6.633 ( 8.121 8.629 1.422) 11.935 6.997 ( -2.648 7.287 0.094) 7.754 6.997 ( 2.648 7.287 0.094) 7.754 7.262 ( -5.288 9.205 -2.656) 10.943 7.262 ( 5.288 9.205 -2.656) 10.943 7.371 ( -4.085 8.966 -4.277) 10.741 7.371 ( 4.085 8.966 -4.277) 10.741 7.533 ( -3.347 3.582 -3.012) 5.754 7.533 ( 3.347 3.582 -3.012) 5.754 7.838 ( -2.768 10.964 3.011) 11.702 7.838 ( 2.768 10.964 3.011) 11.702 8.089 ( -5.756 17.736 2.332) 18.792 8.089 ( 5.756 17.736 2.332) 18.792 8.203 ( -0.434 20.972 -0.830) 20.993 8.203 ( 0.434 20.972 -0.830) 20.993 8.372 ( -2.641 26.693 -5.918) 27.469 8.372 ( 2.641 26.693 -5.918) 27.469 8.620 ( -0.798 28.538 -2.425) 28.652 8.620 ( 0.798 28.538 -2.425) 28.652 8.970 ( -0.097 27.527 4.258) 27.854 8.970 ( 0.097 27.527 4.258) 27.854 11.906 ( -3.155 -9.523 0.928) 10.075 11.906 ( 3.155 -9.523 0.928) 10.075 12.542 ( -4.178 1.127 -0.275) 4.336 12.542 ( 4.178 1.127 -0.275) 4.336 13.524 ( -2.665 -6.478 1.524) 7.169 13.524 ( 2.665 -6.478 1.524) 7.169 13.651 ( -2.847 -6.193 -1.464) 6.971 13.651 ( 2.847 -6.193 -1.464) 6.971 13.928 ( -4.179 -0.766 2.440) 4.899 13.928 ( 4.179 -0.766 2.440) 4.899 14.276 ( -3.300 -7.727 0.434) 8.413 14.276 ( 3.300 -7.727 0.434) 8.413 14.377 ( -0.521 -4.577 -2.987) 5.490 14.377 ( 0.521 -4.577 -2.987) 5.490 14.893 ( -1.255 0.135 -0.577) 1.388 14.893 ( 1.255 0.135 -0.577) 1.388 14.988 ( -2.422 -3.267 3.484) 5.355 14.988 ( 2.422 -3.267 3.484) 5.355 15.124 ( -0.873 -1.177 -0.445) 1.532 15.124 ( 0.873 -1.177 -0.445) 1.532 15.236 ( -0.317 -2.742 0.233) 2.770 15.236 ( 0.317 -2.742 0.233) 2.770 15.538 ( -1.332 2.967 -2.527) 4.119 15.538 ( 1.332 2.967 -2.527) 4.119 15.735 ( -1.621 -1.810 0.159) 2.435 15.735 ( 1.621 -1.810 0.159) 2.435 15.899 ( -0.224 -1.229 -0.244) 1.273 15.899 ( 0.224 -1.229 -0.244) 1.273 16.112 ( -1.737 -0.824 -0.450) 1.975 16.112 ( 1.737 -0.824 -0.450) 1.975 16.231 ( -2.058 -1.475 -0.231) 2.542 16.231 ( 2.058 -1.475 -0.231) 2.542 16.676 ( -0.090 -2.494 -0.409) 2.529 16.676 ( 0.090 -2.494 -0.409) 2.529 16.879 ( -1.678 -6.267 -0.038) 6.488 16.879 ( 1.678 -6.267 -0.038) 6.488 18.014 ( -0.332 -7.540 1.981) 7.803 18.014 ( 0.332 -7.540 1.981) 7.803 18.257 ( -2.813 -10.176 -2.058) 10.757 18.257 ( 2.813 -10.176 -2.058) 10.757 18.751 ( -0.318 -6.599 1.377) 6.749 18.751 ( 0.318 -6.599 1.377) 6.749 18.818 ( -0.474 -7.016 -0.361) 7.041 18.818 ( 0.474 -7.016 -0.361) 7.041 ======================= Grid point 161 (61/108) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.934 ( 0.000 21.517 4.415) 21.965 4.429 ( 0.000 10.571 -10.294) 14.755 4.656 ( 0.000 4.863 2.640) 5.533 4.694 ( 0.000 -0.603 0.878) 1.066 4.832 ( 0.000 24.921 6.296) 25.704 5.198 ( 0.000 18.271 0.862) 18.291 5.284 ( 0.000 18.167 0.690) 18.180 5.359 ( 0.000 12.718 2.233) 12.912 5.362 ( 0.000 15.384 -11.727) 19.344 5.645 ( 0.000 7.425 -0.260) 7.430 5.806 ( 0.000 21.497 -0.107) 21.497 5.971 ( 0.000 10.936 -4.654) 11.885 5.993 ( 0.000 10.318 0.380) 10.325 6.060 ( 0.000 11.713 -0.385) 11.719 6.161 ( 0.000 10.979 2.753) 11.319 6.169 ( 0.000 11.950 7.181) 13.942 6.301 ( 0.000 8.392 1.599) 8.543 6.526 ( 0.000 5.045 -5.962) 7.810 6.649 ( 0.000 -1.031 1.790) 2.066 6.817 ( 0.000 3.715 6.237) 7.260 6.873 ( 0.000 -1.722 7.042) 7.249 6.922 ( 0.000 -5.858 3.173) 6.662 7.134 ( 0.000 -9.654 0.276) 9.658 7.287 ( 0.000 0.324 -3.952) 3.966 7.408 ( 0.000 0.180 -6.216) 6.218 7.466 ( 0.000 -1.720 1.137) 2.061 7.509 ( 0.000 -1.270 0.008) 1.270 7.735 ( 0.000 -7.520 -9.673) 12.252 7.905 ( 0.000 24.226 1.996) 24.308 8.141 ( 0.000 11.324 -1.244) 11.392 8.402 ( 0.000 26.334 4.675) 26.745 8.551 ( 0.000 17.510 4.468) 18.071 8.710 ( 0.000 14.802 1.100) 14.843 8.765 ( 0.000 30.988 -3.138) 31.146 8.911 ( 0.000 26.172 0.984) 26.190 8.920 ( 0.000 28.589 0.279) 28.590 9.145 ( 0.000 19.002 -4.131) 19.446 9.174 ( 0.000 31.851 -4.936) 32.231 9.598 ( 0.000 23.481 1.705) 23.543 9.609 ( 0.000 24.463 1.566) 24.513 11.838 ( 0.000 -6.437 3.276) 7.223 11.969 ( 0.000 -6.289 0.020) 6.289 12.222 ( 0.000 -9.553 -0.106) 9.554 12.290 ( 0.000 -3.370 -1.658) 3.756 13.179 ( 0.000 4.921 1.580) 5.169 13.329 ( 0.000 3.196 -2.264) 3.917 13.569 ( 0.000 5.332 0.505) 5.355 13.620 ( 0.000 5.601 -0.440) 5.619 13.907 ( 0.000 1.370 -0.048) 1.371 13.969 ( 0.000 3.194 -1.135) 3.389 14.128 ( 0.000 -11.668 3.899) 12.302 14.277 ( 0.000 -12.815 -0.450) 12.823 14.616 ( 0.000 -7.046 0.251) 7.050 14.645 ( 0.000 -10.081 2.625) 10.417 14.651 ( 0.000 -5.103 -0.489) 5.126 14.835 ( 0.000 -7.200 -1.283) 7.313 14.953 ( 0.000 -1.825 3.708) 4.133 15.042 ( 0.000 5.141 2.006) 5.519 15.165 ( 0.000 1.142 0.959) 1.491 15.207 ( 0.000 0.623 -1.316) 1.455 15.349 ( 0.000 0.880 -5.117) 5.192 15.415 ( 0.000 0.217 -5.388) 5.392 15.495 ( 0.000 2.725 1.960) 3.357 15.570 ( 0.000 -1.721 -0.282) 1.744 15.685 ( 0.000 1.033 1.138) 1.537 15.737 ( 0.000 -1.519 0.713) 1.678 15.787 ( 0.000 -6.969 -1.083) 7.053 15.809 ( 0.000 0.149 -1.242) 1.250 16.086 ( 0.000 -0.288 -0.881) 0.927 16.087 ( 0.000 -0.186 -1.370) 1.383 16.164 ( 0.000 2.088 1.521) 2.584 16.251 ( 0.000 -0.713 -0.648) 0.964 16.445 ( 0.000 -6.919 -0.002) 6.919 16.462 ( 0.000 -5.884 -1.461) 6.062 16.655 ( 0.000 -5.435 2.031) 5.802 16.696 ( 0.000 -8.379 0.058) 8.379 17.848 ( 0.000 -8.796 1.662) 8.952 17.857 ( 0.000 -7.738 1.078) 7.813 17.999 ( 0.000 -9.709 -0.038) 9.709 18.087 ( 0.000 -14.220 -1.687) 14.319 18.608 ( 0.000 -6.025 0.746) 6.071 18.645 ( 0.000 -7.543 -0.192) 7.545 18.662 ( 0.000 -4.570 0.908) 4.659 18.732 ( 0.000 -5.620 -0.888) 5.690 ======================= Grid point 162 (62/108) ======================= q-point: ( 0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 4.246 20.133 4.122) 20.985 4.440 ( 0.675 9.016 -9.408) 13.048 4.592 ( -4.974 4.688 2.595) 7.311 4.701 ( -0.486 0.370 0.093) 0.618 4.860 ( 2.984 25.807 5.607) 26.577 5.192 ( -0.960 19.803 0.696) 19.839 5.284 ( -0.301 14.704 -2.581) 14.932 5.354 ( 0.935 15.395 2.147) 15.572 5.380 ( 1.087 15.982 -7.447) 17.665 5.610 ( -3.503 7.531 -0.859) 8.350 5.836 ( 3.008 20.605 -0.677) 20.835 5.963 ( -1.926 9.709 -3.063) 10.361 5.996 ( 0.964 8.431 2.597) 8.874 6.032 ( -5.519 17.855 1.752) 18.770 6.094 ( 0.956 7.312 -0.024) 7.374 6.267 ( 4.420 10.649 7.430) 13.716 6.293 ( -1.932 9.361 -3.017) 10.023 6.472 ( 0.277 4.734 -0.186) 4.746 6.641 ( -5.467 0.271 7.079) 8.948 6.857 ( 4.294 -3.335 1.516) 5.644 6.872 ( 4.234 5.142 2.008) 6.957 7.017 ( 4.188 -6.621 2.878) 8.346 7.098 ( -1.689 -4.444 1.521) 4.992 7.309 ( 2.167 -3.037 -3.971) 5.449 7.431 ( -0.566 -2.146 -2.995) 3.727 7.460 ( 1.584 0.513 -2.653) 3.132 7.485 ( -2.216 -1.031 -0.391) 2.475 7.713 ( -2.109 -5.424 -9.483) 11.126 7.946 ( 4.067 21.375 2.775) 21.935 8.164 ( 2.404 11.764 -0.802) 12.034 8.358 ( -3.957 21.630 5.823) 22.747 8.569 ( -0.817 17.021 0.859) 17.063 8.674 ( -0.825 19.298 2.185) 19.439 8.781 ( 1.161 31.685 -2.178) 31.781 8.916 ( 0.254 24.641 0.289) 24.644 8.941 ( 1.349 29.050 0.673) 29.089 9.144 ( 0.211 21.022 -3.882) 21.379 9.186 ( 1.314 30.924 -4.592) 31.291 9.576 ( -2.403 23.882 1.563) 24.053 9.585 ( -2.187 24.022 1.704) 24.182 11.775 ( -3.674 -5.022 3.008) 6.911 12.010 ( -3.482 -5.060 -3.932) 7.293 12.163 ( 4.163 -7.511 4.525) 9.707 12.402 ( 6.516 -7.223 -2.150) 9.963 13.261 ( 7.745 3.633 0.913) 8.604 13.377 ( 4.649 2.627 -1.762) 5.623 13.561 ( -0.972 4.578 -0.029) 4.680 13.597 ( -1.609 3.997 0.013) 4.309 13.896 ( -0.952 1.917 0.068) 2.142 13.970 ( -0.237 3.215 1.281) 3.469 14.092 ( -3.083 -10.955 2.344) 11.620 14.258 ( -2.008 -11.196 -0.874) 11.408 14.537 ( -6.475 -7.151 0.204) 9.648 14.551 ( -6.661 -6.594 -0.102) 9.373 14.730 ( 3.549 -8.289 1.316) 9.112 14.842 ( 0.342 -7.199 -0.845) 7.256 14.952 ( -0.156 -1.739 3.552) 3.958 15.029 ( -1.414 4.071 1.825) 4.680 15.169 ( 0.202 1.459 0.908) 1.730 15.203 ( -0.789 1.628 -1.630) 2.435 15.279 ( -6.192 -0.357 -3.754) 7.250 15.316 ( -7.222 -0.515 -1.768) 7.453 15.535 ( 2.787 1.512 -1.162) 3.377 15.588 ( 0.360 0.213 -1.367) 1.430 15.680 ( -0.358 -0.069 0.678) 0.770 15.703 ( -1.936 -3.501 0.730) 4.067 15.807 ( 1.341 -4.789 -1.121) 5.098 15.820 ( 1.964 -2.175 -0.788) 3.035 16.037 ( -2.202 3.787 0.563) 4.417 16.116 ( 1.673 2.429 -1.619) 3.364 16.234 ( 2.754 -0.870 -0.503) 2.932 16.265 ( 2.106 -1.096 0.030) 2.374 16.468 ( 2.974 -6.303 0.001) 6.969 16.509 ( 3.854 -5.277 -0.602) 6.562 16.663 ( 1.025 -6.258 1.603) 6.541 16.707 ( 1.022 -8.607 -0.050) 8.668 17.847 ( -0.074 -8.698 1.582) 8.841 17.855 ( -0.147 -7.858 1.152) 7.943 18.002 ( 0.379 -9.925 -0.173) 9.934 18.078 ( -0.882 -13.846 -1.595) 13.965 18.609 ( 0.193 -5.982 0.774) 6.035 18.649 ( 0.438 -7.228 -0.217) 7.244 18.657 ( -0.470 -4.753 0.880) 4.856 18.724 ( -0.793 -5.661 -0.815) 5.775 ======================= Grid point 163 (63/108) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.086 ( 7.374 16.506 3.345) 18.385 4.392 ( -6.804 7.907 -1.229) 10.504 4.550 ( 1.699 5.371 -3.445) 6.603 4.670 ( -2.693 0.717 -1.863) 3.353 4.938 ( 5.124 26.227 3.691) 26.977 5.143 ( -4.445 22.444 -0.246) 22.881 5.289 ( 1.492 13.918 -2.312) 14.188 5.385 ( -1.211 16.029 -5.756) 17.075 5.405 ( 4.119 14.606 3.458) 15.565 5.543 ( -2.981 9.686 -0.372) 10.141 5.862 ( -2.880 16.804 -1.954) 17.161 5.912 ( -5.135 14.196 -2.782) 15.350 5.942 ( 2.930 11.237 4.560) 12.475 6.046 ( 1.927 7.902 1.591) 8.288 6.120 ( 1.403 10.371 -1.092) 10.523 6.228 ( -3.625 9.585 -4.781) 11.308 6.332 ( 3.220 8.949 9.300) 13.302 6.506 ( -5.436 5.570 10.433) 13.016 6.587 ( 7.404 3.579 0.099) 8.224 6.863 ( -2.998 2.572 0.026) 3.951 6.978 ( 2.160 -6.600 1.436) 7.092 7.024 ( 1.612 -0.002 0.422) 1.666 7.161 ( 5.753 -0.570 2.254) 6.205 7.358 ( 2.769 -5.931 -3.496) 7.420 7.372 ( -4.509 -1.778 -0.562) 4.880 7.439 ( -2.131 -1.997 -1.413) 3.244 7.525 ( 3.852 0.194 -7.079) 8.061 7.664 ( -3.119 -3.692 -9.293) 10.475 8.042 ( 5.858 18.830 4.765) 20.288 8.222 ( 2.437 14.200 1.181) 14.456 8.279 ( -2.981 16.003 5.356) 17.137 8.478 ( -6.970 11.853 -0.665) 13.767 8.725 ( 4.495 27.327 0.911) 27.709 8.807 ( 1.384 31.216 -1.662) 31.291 8.907 ( -1.072 24.442 -0.201) 24.467 8.944 ( -1.296 27.726 0.320) 27.758 9.166 ( 2.257 25.500 -2.780) 25.750 9.216 ( 1.329 29.682 -3.595) 29.929 9.521 ( -2.703 23.953 1.684) 24.164 9.538 ( -2.654 23.878 1.486) 24.071 11.738 ( -0.075 -3.575 2.154) 4.174 11.882 ( -7.181 -3.161 -1.331) 7.958 12.327 ( 9.892 -8.319 1.919) 13.066 12.494 ( 2.633 -8.049 -1.893) 8.678 13.404 ( 5.492 -0.348 0.472) 5.523 13.449 ( 1.101 1.923 0.971) 2.419 13.552 ( 1.485 2.135 -1.530) 3.017 13.589 ( 0.748 1.157 -0.555) 1.485 13.902 ( 2.654 3.321 2.112) 4.746 13.949 ( -1.418 1.437 3.697) 4.212 14.058 ( 0.036 -8.278 -0.376) 8.287 14.211 ( -2.660 -6.825 -1.423) 7.462 14.391 ( -9.574 -5.776 -0.762) 11.208 14.406 ( -7.464 -5.264 -0.945) 9.182 14.783 ( 2.290 -9.211 1.101) 9.555 14.839 ( -0.701 -7.657 -0.088) 7.690 14.946 ( -0.377 -0.779 2.888) 3.015 14.990 ( -2.538 1.696 1.708) 3.498 15.138 ( -3.695 -0.228 -2.528) 4.482 15.147 ( -4.463 -0.293 -2.275) 5.018 15.205 ( -0.042 0.201 0.476) 0.519 15.237 ( -1.494 0.922 0.942) 1.992 15.572 ( 0.988 0.432 -2.733) 2.938 15.584 ( -0.185 1.530 -2.323) 2.787 15.675 ( 0.055 -2.896 0.923) 3.040 15.687 ( -0.210 -3.059 0.849) 3.182 15.836 ( 1.819 -2.094 -0.829) 2.895 15.867 ( 1.644 -4.724 -1.040) 5.109 16.032 ( 2.306 3.971 0.982) 4.696 16.141 ( 0.872 4.503 -1.621) 4.865 16.231 ( -1.492 -1.371 0.206) 2.037 16.287 ( -1.179 0.836 -0.588) 1.561 16.546 ( 4.491 -5.489 0.373) 7.101 16.578 ( 3.017 -4.480 -0.160) 5.403 16.695 ( 2.072 -7.808 0.700) 8.109 16.726 ( 0.747 -8.904 -0.128) 8.936 17.846 ( 0.003 -8.512 1.447) 8.634 17.852 ( -0.235 -8.092 1.268) 8.194 18.013 ( 0.807 -10.579 -0.513) 10.622 18.057 ( -1.320 -12.858 -1.326) 12.993 18.616 ( 0.500 -5.768 0.824) 5.848 18.643 ( -0.814 -5.025 0.846) 5.161 18.663 ( 0.881 -6.731 -0.307) 6.795 18.705 ( -1.198 -5.847 -0.649) 6.004 ======================= Grid point 164 (64/108) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( -8.700 11.895 2.143) 14.893 4.239 ( 8.700 11.895 2.143) 14.893 4.608 ( -3.644 2.509 -3.894) 5.894 4.608 ( 3.644 2.509 -3.894) 5.894 5.043 ( -5.836 24.758 1.150) 25.463 5.043 ( 5.836 24.758 1.150) 25.463 5.337 ( -3.196 14.985 -2.703) 15.559 5.337 ( 3.196 14.985 -2.703) 15.559 5.486 ( -3.889 12.090 1.450) 12.782 5.486 ( 3.889 12.090 1.450) 12.782 5.838 ( -1.770 15.677 -1.333) 15.833 5.838 ( 1.770 15.677 -1.333) 15.833 6.021 ( -3.919 8.644 1.184) 9.565 6.021 ( 3.919 8.644 1.184) 9.565 6.168 ( -3.221 10.334 -2.405) 11.088 6.168 ( 3.221 10.334 -2.405) 11.088 6.403 ( -4.702 7.541 10.210) 13.536 6.403 ( 4.702 7.541 10.210) 13.536 6.747 ( -8.224 2.992 -0.536) 8.767 6.747 ( 8.224 2.992 -0.536) 8.767 7.021 ( -2.176 -2.314 2.087) 3.801 7.021 ( 2.176 -2.314 2.087) 3.801 7.274 ( -5.894 -0.539 -0.269) 5.925 7.274 ( 5.894 -0.539 -0.269) 5.925 7.403 ( -2.018 -4.589 -2.472) 5.590 7.403 ( 2.018 -4.589 -2.472) 5.590 7.598 ( -3.871 -1.900 -8.718) 9.727 7.598 ( 3.871 -1.900 -8.718) 9.727 8.154 ( -5.926 18.021 6.271) 19.980 8.154 ( 5.926 18.021 6.271) 19.980 8.347 ( -6.544 11.434 -0.075) 13.174 8.347 ( 6.544 11.434 -0.075) 13.174 8.801 ( -2.763 29.415 -1.359) 29.576 8.801 ( 2.763 29.415 -1.359) 29.576 8.907 ( -1.704 25.963 0.165) 26.019 8.907 ( 1.704 25.963 0.165) 26.019 9.212 ( -1.866 28.438 -2.495) 28.609 9.212 ( 1.866 28.438 -2.495) 28.609 9.501 ( -0.796 23.895 1.476) 23.953 9.501 ( 0.796 23.895 1.476) 23.953 11.775 ( -3.991 -2.868 0.679) 4.962 11.775 ( 3.991 -2.868 0.679) 4.962 12.475 ( -4.943 -8.207 -0.521) 9.595 12.475 ( 4.943 -8.207 -0.521) 9.595 13.444 ( -0.531 -1.162 1.941) 2.324 13.444 ( 0.531 -1.162 1.941) 2.324 13.592 ( -1.540 0.565 -1.571) 2.271 13.592 ( 1.540 0.565 -1.571) 2.271 13.947 ( -0.283 2.627 2.176) 3.423 13.947 ( 0.283 2.627 2.176) 3.423 14.125 ( -7.313 -6.583 0.803) 9.872 14.125 ( 7.313 -6.583 0.803) 9.872 14.296 ( -2.300 -3.723 -2.428) 5.005 14.296 ( 2.300 -3.723 -2.428) 5.005 14.818 ( -1.469 -8.923 0.646) 9.066 14.818 ( 1.469 -8.923 0.646) 9.066 14.951 ( -1.241 0.295 1.926) 2.310 14.951 ( 1.241 0.295 1.926) 2.310 15.101 ( -0.207 -1.767 -2.372) 2.965 15.101 ( 0.207 -1.767 -2.372) 2.965 15.217 ( -0.897 1.506 1.281) 2.171 15.217 ( 0.897 1.506 1.281) 2.171 15.582 ( -0.295 0.788 -2.921) 3.040 15.582 ( 0.295 0.788 -2.921) 3.040 15.682 ( -0.477 -3.037 0.947) 3.217 15.682 ( 0.477 -3.037 0.947) 3.217 15.866 ( -1.202 -2.529 -0.831) 2.921 15.866 ( 1.202 -2.529 -0.831) 2.921 16.108 ( -4.415 1.406 0.275) 4.642 16.108 ( 4.415 1.406 0.275) 4.642 16.240 ( -2.739 2.282 -0.628) 3.620 16.240 ( 2.739 2.282 -0.628) 3.620 16.601 ( -0.936 -4.677 0.127) 4.772 16.601 ( 0.936 -4.677 0.127) 4.772 16.725 ( -0.951 -8.724 0.103) 8.776 16.725 ( 0.951 -8.724 0.103) 8.776 17.848 ( -0.166 -8.315 1.352) 8.426 17.848 ( 0.166 -8.315 1.352) 8.426 18.032 ( -1.209 -11.631 -0.933) 11.730 18.032 ( 1.209 -11.631 -0.933) 11.730 18.628 ( -0.785 -5.391 0.854) 5.515 18.628 ( 0.785 -5.391 0.854) 5.515 18.682 ( -1.168 -6.234 -0.475) 6.360 18.682 ( 1.168 -6.234 -0.475) 6.360 ======================= Grid point 168 (65/108) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( 0.000 13.360 2.679) 13.626 4.530 ( 0.000 0.827 -3.943) 4.028 4.671 ( 0.000 -1.155 0.500) 1.258 4.674 ( 0.000 -0.844 0.870) 1.213 5.320 ( 0.000 19.250 2.296) 19.387 5.465 ( 0.000 7.571 -0.008) 7.571 5.493 ( 0.000 4.614 -0.471) 4.638 5.543 ( 0.000 2.889 -4.328) 5.203 5.611 ( 0.000 12.861 1.468) 12.945 5.788 ( 0.000 10.697 -2.086) 10.898 6.090 ( 0.000 2.271 -0.464) 2.317 6.141 ( 0.000 3.522 1.045) 3.673 6.220 ( 0.000 9.300 3.578) 9.965 6.259 ( 0.000 11.637 -2.922) 11.998 6.431 ( 0.000 6.854 -0.720) 6.892 6.451 ( 0.000 11.145 -0.954) 11.186 6.467 ( 0.000 15.989 1.211) 16.035 6.552 ( 0.000 -5.186 2.780) 5.884 6.668 ( 0.000 3.718 4.604) 5.918 6.743 ( 0.000 0.244 -2.419) 2.431 6.794 ( 0.000 -5.963 -0.293) 5.970 6.900 ( 0.000 0.837 4.431) 4.510 7.047 ( 0.000 -0.922 0.877) 1.272 7.291 ( 0.000 -0.087 -3.166) 3.167 7.352 ( 0.000 -4.784 -3.326) 5.826 7.442 ( 0.000 -4.609 -0.245) 4.616 7.453 ( 0.000 -12.934 -2.376) 13.151 7.481 ( 0.000 -1.465 0.244) 1.486 8.263 ( 0.000 11.901 1.251) 11.967 8.351 ( 0.000 7.021 -0.494) 7.039 8.801 ( 0.000 10.722 0.326) 10.727 8.809 ( 0.000 8.266 1.659) 8.431 9.011 ( 0.000 15.881 2.205) 16.034 9.169 ( 0.000 11.291 -2.428) 11.549 9.375 ( 0.000 16.248 0.058) 16.248 9.437 ( 0.000 14.183 -3.299) 14.562 9.522 ( 0.000 23.776 1.876) 23.850 9.715 ( 0.000 19.557 -5.431) 20.297 9.959 ( 0.000 11.972 3.077) 12.361 9.994 ( 0.000 12.775 1.452) 12.857 11.759 ( 0.000 -1.484 3.318) 3.635 11.852 ( 0.000 -5.142 1.504) 5.357 12.086 ( 0.000 -3.494 -0.818) 3.589 12.186 ( 0.000 -6.082 -2.687) 6.649 13.339 ( 0.000 10.453 0.940) 10.495 13.441 ( 0.000 7.804 -1.863) 8.023 13.743 ( 0.000 10.599 0.505) 10.611 13.753 ( 0.000 4.014 0.005) 4.014 13.849 ( 0.000 -9.702 1.373) 9.799 14.020 ( 0.000 -2.262 -2.941) 3.710 14.027 ( 0.000 4.703 2.677) 5.411 14.108 ( 0.000 3.367 1.288) 3.605 14.370 ( 0.000 -15.822 1.827) 15.927 14.468 ( 0.000 -7.906 0.560) 7.925 14.477 ( 0.000 -10.743 0.002) 10.743 14.592 ( 0.000 -14.610 -2.258) 14.783 15.010 ( 0.000 5.692 2.909) 6.393 15.145 ( 0.000 4.674 0.909) 4.762 15.189 ( 0.000 0.721 0.862) 1.124 15.272 ( 0.000 4.814 -1.504) 5.043 15.343 ( 0.000 -0.717 -4.325) 4.384 15.358 ( 0.000 -4.473 -4.052) 6.036 15.494 ( 0.000 -5.226 1.648) 5.480 15.513 ( 0.000 -2.523 0.705) 2.620 15.691 ( 0.000 -0.986 0.034) 0.987 15.711 ( 0.000 1.332 -0.614) 1.466 15.785 ( 0.000 3.912 0.625) 3.962 15.831 ( 0.000 1.361 -0.600) 1.487 16.092 ( 0.000 0.948 -0.352) 1.011 16.101 ( 0.000 1.776 -0.461) 1.835 16.209 ( 0.000 0.980 0.269) 1.016 16.209 ( 0.000 -3.598 0.734) 3.673 16.322 ( 0.000 -3.934 -0.535) 3.970 16.364 ( 0.000 -3.053 -3.255) 4.463 16.540 ( 0.000 -5.494 2.551) 6.058 16.540 ( 0.000 -6.431 1.230) 6.548 17.704 ( 0.000 -4.688 0.899) 4.774 17.726 ( 0.000 -4.501 0.487) 4.528 17.812 ( 0.000 -8.138 0.056) 8.138 17.830 ( 0.000 -10.611 -0.362) 10.617 18.511 ( 0.000 -3.376 0.158) 3.380 18.524 ( 0.000 -4.247 -0.147) 4.250 18.593 ( 0.000 -2.074 0.441) 2.121 18.634 ( 0.000 -3.893 -0.604) 3.940 ======================= Grid point 169 (66/108) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( 1.888 12.493 2.381) 12.857 4.533 ( 0.157 0.997 -3.894) 4.023 4.624 ( -3.356 0.291 1.130) 3.553 4.679 ( -0.776 -1.912 -0.313) 2.088 5.330 ( 1.048 17.524 1.691) 17.637 5.466 ( -0.558 7.002 -0.754) 7.064 5.480 ( -0.429 5.762 -0.470) 5.797 5.549 ( 0.300 1.949 -3.032) 3.617 5.625 ( 1.560 13.230 1.894) 13.456 5.777 ( -0.975 11.337 -1.211) 11.443 6.075 ( -1.375 0.658 0.289) 1.552 6.145 ( -0.876 3.295 1.023) 3.560 6.204 ( 0.232 11.928 1.427) 12.015 6.288 ( 1.059 11.229 -1.474) 11.375 6.387 ( -3.310 13.819 0.704) 14.227 6.452 ( 0.436 5.383 1.923) 5.732 6.478 ( 1.475 9.594 -1.606) 9.839 6.565 ( 2.794 5.087 2.558) 6.342 6.656 ( -4.965 3.023 0.088) 5.814 6.755 ( 6.081 -1.992 3.091) 7.106 6.837 ( 1.424 -6.278 -1.044) 6.521 6.951 ( 4.144 0.052 1.928) 4.571 7.072 ( 2.995 -0.545 0.880) 3.169 7.269 ( -1.171 -1.039 -2.356) 2.828 7.381 ( 0.908 -3.557 -3.399) 5.003 7.408 ( -3.394 -10.263 -1.794) 10.958 7.438 ( 0.255 -1.593 0.676) 1.750 7.499 ( 1.053 -7.194 -1.906) 7.517 8.284 ( 2.244 11.448 1.445) 11.755 8.369 ( 1.917 6.744 -0.327) 7.019 8.687 ( -7.357 10.898 2.255) 13.341 8.778 ( -5.688 5.601 -0.175) 7.984 9.080 ( 6.236 17.787 1.495) 18.908 9.219 ( 3.940 12.516 -2.480) 13.353 9.359 ( -1.318 16.724 0.469) 16.782 9.428 ( -1.012 14.835 -3.077) 15.185 9.560 ( 3.619 22.104 1.627) 22.458 9.715 ( 0.138 19.355 -4.654) 19.907 9.943 ( -1.569 12.077 2.661) 12.466 9.966 ( -2.765 12.844 1.547) 13.229 11.737 ( -0.804 1.065 2.971) 3.257 11.923 ( 4.225 -4.863 -1.041) 6.526 12.036 ( -2.155 -2.953 1.710) 4.036 12.233 ( 3.290 -8.967 -2.451) 9.861 13.381 ( 3.840 8.225 0.499) 9.091 13.469 ( 2.666 6.260 -1.656) 7.003 13.696 ( -5.066 3.418 0.627) 6.143 13.723 ( -2.212 7.650 -0.018) 7.963 13.846 ( 0.254 -6.398 2.118) 6.745 13.996 ( -0.906 2.651 -0.708) 2.890 14.070 ( 2.371 3.630 0.293) 4.346 14.108 ( 0.131 2.338 1.170) 2.618 14.329 ( -3.277 -13.295 0.965) 13.726 14.406 ( -5.590 -7.335 -0.139) 9.224 14.509 ( 2.224 -12.112 0.490) 12.325 14.603 ( 0.558 -14.353 -1.522) 14.444 14.996 ( -1.356 4.752 2.691) 5.627 15.111 ( -3.555 3.857 0.910) 5.324 15.185 ( -1.330 -1.448 0.270) 1.984 15.254 ( -6.845 -1.588 -2.777) 7.556 15.277 ( -2.641 3.577 -1.915) 4.841 15.304 ( -1.925 1.913 -1.195) 2.965 15.489 ( 0.457 -5.196 -0.305) 5.225 15.548 ( 1.392 -5.454 -1.364) 5.792 15.674 ( -1.323 0.335 0.099) 1.368 15.697 ( -1.322 2.073 -0.970) 2.642 15.756 ( -0.852 1.071 1.480) 2.015 15.821 ( -0.874 -0.079 -0.547) 1.033 16.123 ( 1.311 4.605 0.265) 4.795 16.168 ( 5.728 2.219 -0.652) 6.177 16.218 ( 1.728 -0.168 -0.181) 1.746 16.253 ( 3.176 -0.701 -0.362) 3.272 16.361 ( 3.723 -3.631 -0.305) 5.209 16.399 ( 3.465 -5.033 -1.574) 6.310 16.534 ( -0.435 -5.934 2.243) 6.358 16.543 ( 0.328 -7.009 0.951) 7.081 17.704 ( 0.037 -4.653 0.872) 4.734 17.724 ( -0.224 -4.484 0.512) 4.519 17.812 ( 0.029 -8.246 0.002) 8.247 17.828 ( -0.258 -10.391 -0.354) 10.400 18.514 ( 0.346 -3.278 0.215) 3.303 18.532 ( 0.752 -4.229 -0.212) 4.300 18.586 ( -0.735 -2.160 0.438) 2.324 18.626 ( -0.873 -3.912 -0.570) 4.048 ======================= Grid point 170 (67/108) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.353 ( 3.513 10.217 1.664) 10.932 4.511 ( -3.481 4.128 -1.197) 5.531 4.581 ( 0.019 -1.002 -1.160) 1.533 4.649 ( -2.167 -2.237 -1.543) 3.476 5.357 ( 1.832 13.922 0.214) 14.043 5.435 ( -2.094 7.786 -1.856) 8.274 5.493 ( 1.216 5.518 0.463) 5.669 5.543 ( -0.959 1.820 -1.415) 2.497 5.670 ( 3.065 13.561 2.781) 14.178 5.759 ( -1.028 12.001 0.680) 12.064 6.047 ( -1.380 0.878 0.695) 1.777 6.091 ( -3.919 3.374 2.104) 5.583 6.226 ( 1.675 13.392 -0.432) 13.504 6.288 ( -0.898 13.357 -0.947) 13.421 6.372 ( 1.547 11.778 0.375) 11.885 6.457 ( -1.196 7.695 0.433) 7.799 6.497 ( 1.690 11.241 0.708) 11.389 6.583 ( -2.718 4.240 3.506) 6.136 6.657 ( 5.839 3.420 -0.147) 6.768 6.816 ( -1.287 -5.011 0.388) 5.189 6.882 ( 5.142 -1.460 0.632) 5.383 7.005 ( 0.903 -1.333 0.313) 1.640 7.155 ( 5.209 -3.471 -0.025) 6.260 7.260 ( 0.138 -1.992 -1.974) 2.808 7.333 ( -3.854 -8.446 -0.946) 9.332 7.357 ( -2.737 0.477 -0.543) 2.830 7.473 ( 2.355 -4.751 -2.492) 5.859 7.513 ( 0.273 -7.522 -2.751) 8.014 8.344 ( 4.178 10.433 1.932) 11.403 8.424 ( 3.985 6.128 -0.028) 7.310 8.553 ( -6.774 9.981 2.629) 12.346 8.649 ( -7.378 4.958 -0.130) 8.890 9.199 ( 5.899 18.261 -0.369) 19.194 9.281 ( 2.478 15.155 -2.452) 15.551 9.336 ( -1.115 16.591 0.320) 16.632 9.396 ( -2.407 15.408 -2.248) 15.756 9.639 ( 4.381 20.569 1.519) 21.085 9.723 ( 0.505 19.098 -2.323) 19.245 9.903 ( -2.904 13.035 1.296) 13.417 9.908 ( -2.459 12.031 1.708) 12.398 11.747 ( 1.837 4.240 2.010) 5.039 11.889 ( -4.898 3.871 -1.557) 6.435 12.119 ( 7.786 -11.334 2.093) 13.909 12.277 ( 0.812 -12.360 -1.748) 12.510 13.442 ( 1.950 4.431 0.507) 4.867 13.509 ( 0.010 3.656 -0.346) 3.672 13.611 ( -2.233 1.638 0.330) 2.789 13.668 ( -3.072 2.161 -0.722) 3.825 13.897 ( 5.812 -0.264 2.190) 6.216 13.995 ( 1.042 5.218 -0.108) 5.322 14.081 ( -1.154 7.906 1.337) 8.101 14.124 ( 0.661 -0.961 0.166) 1.179 14.269 ( -3.036 -8.433 -0.365) 8.970 14.283 ( -6.792 -4.348 -0.451) 8.077 14.547 ( 1.881 -13.090 0.441) 13.231 14.602 ( -0.677 -14.191 -0.644) 14.221 14.969 ( -1.192 2.474 1.993) 3.393 15.029 ( -4.619 1.833 0.806) 5.034 15.105 ( -5.481 -2.970 -1.098) 6.330 15.112 ( -6.034 -2.376 -1.320) 6.618 15.266 ( 1.117 4.814 -0.270) 4.949 15.301 ( -0.039 5.026 -0.565) 5.058 15.504 ( 1.111 -5.976 -1.494) 6.259 15.552 ( -0.718 -5.459 -2.384) 6.000 15.659 ( -0.084 1.539 0.365) 1.584 15.678 ( -0.688 1.928 -0.127) 2.051 15.766 ( 1.347 -3.288 0.137) 3.556 15.807 ( -0.677 -2.703 -0.596) 2.850 16.148 ( 1.811 6.977 0.745) 7.247 16.225 ( -0.922 3.327 0.707) 3.524 16.257 ( 3.484 4.502 -1.305) 5.840 16.309 ( 1.640 1.160 -0.967) 2.230 16.441 ( 4.293 -4.771 0.380) 6.429 16.470 ( 3.386 -6.160 -0.052) 7.029 16.532 ( 0.349 -7.724 1.317) 7.843 16.551 ( 0.304 -7.924 0.410) 7.940 17.706 ( 0.175 -4.564 0.796) 4.637 17.718 ( -0.367 -4.458 0.585) 4.511 17.814 ( 0.099 -8.587 -0.121) 8.589 17.822 ( -0.329 -9.828 -0.320) 9.838 18.525 ( 0.843 -3.009 0.302) 3.139 18.550 ( 1.184 -4.137 -0.329) 4.315 18.568 ( -1.136 -2.431 0.432) 2.718 18.604 ( -1.406 -3.980 -0.488) 4.249 ======================= Grid point 171 (68/108) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( -4.544 7.291 0.785) 8.626 4.429 ( 4.544 7.291 0.785) 8.626 4.607 ( -2.130 -1.956 -2.273) 3.678 4.607 ( 2.130 -1.956 -2.273) 3.678 5.395 ( -2.155 10.445 -1.196) 10.732 5.395 ( 2.155 10.445 -1.196) 10.732 5.519 ( -1.473 3.610 -0.084) 3.899 5.519 ( 1.473 3.610 -0.084) 3.899 5.727 ( -2.619 12.664 2.616) 13.194 5.727 ( 2.619 12.664 2.616) 13.194 6.040 ( -1.068 2.894 1.102) 3.276 6.040 ( 1.068 2.894 1.102) 3.276 6.260 ( -1.833 13.615 -0.526) 13.748 6.260 ( 1.833 13.615 -0.526) 13.748 6.416 ( -2.641 10.773 -0.656) 11.112 6.416 ( 2.641 10.773 -0.656) 11.112 6.538 ( -2.318 7.684 3.235) 8.654 6.538 ( 2.318 7.684 3.235) 8.654 6.758 ( -4.513 -0.878 -0.260) 4.604 6.758 ( 4.513 -0.878 -0.260) 4.604 6.975 ( -3.929 -1.325 0.613) 4.192 6.975 ( 3.929 -1.325 0.613) 4.192 7.240 ( -3.396 -8.370 -1.861) 9.222 7.240 ( 3.396 -8.370 -1.861) 9.222 7.307 ( -1.891 0.857 0.031) 2.076 7.307 ( 1.891 0.857 0.031) 2.076 7.506 ( -1.054 -6.184 -2.994) 6.951 7.506 ( 1.054 -6.184 -2.994) 6.951 8.436 ( -5.538 9.769 2.406) 11.484 8.436 ( 5.538 9.769 2.406) 11.484 8.520 ( -6.094 5.306 0.084) 8.081 8.520 ( 6.094 5.306 0.084) 8.081 9.284 ( -2.824 17.783 -1.914) 18.107 9.284 ( 2.824 17.783 -1.914) 18.107 9.345 ( -2.581 15.552 -0.806) 15.786 9.345 ( 2.581 15.552 -0.806) 15.786 9.709 ( -2.599 19.818 0.670) 19.999 9.709 ( 2.599 19.818 0.670) 19.999 9.876 ( -0.543 12.283 0.753) 12.318 9.876 ( 0.543 12.283 0.753) 12.318 11.802 ( -4.007 5.503 0.490) 6.825 11.802 ( 4.007 5.503 0.490) 6.825 12.243 ( -4.579 -13.497 -0.220) 14.254 12.243 ( 4.579 -13.497 -0.220) 14.254 13.471 ( -2.101 3.478 1.263) 4.255 13.471 ( 2.101 3.478 1.263) 4.255 13.622 ( -1.912 0.096 -1.095) 2.205 13.622 ( 1.912 0.096 -1.095) 2.205 14.019 ( -2.697 2.820 0.008) 3.902 14.019 ( 2.697 2.820 0.008) 3.902 14.067 ( -4.329 3.387 2.319) 5.966 14.067 ( 4.329 3.387 2.319) 5.966 14.225 ( -1.057 -2.938 -1.289) 3.378 14.225 ( 1.057 -2.938 -1.289) 3.378 14.580 ( -1.602 -13.748 0.078) 13.841 14.580 ( 1.602 -13.748 0.078) 13.841 14.968 ( -1.449 1.155 1.049) 2.129 14.968 ( 1.449 1.155 1.049) 2.129 15.050 ( -0.330 -2.833 -0.928) 2.999 15.050 ( 0.330 -2.833 -0.928) 2.999 15.290 ( -1.075 5.116 -0.221) 5.232 15.290 ( 1.075 5.116 -0.221) 5.232 15.529 ( -1.498 -5.422 -2.027) 5.980 15.529 ( 1.498 -5.422 -2.027) 5.980 15.666 ( -0.632 1.426 0.253) 1.580 15.666 ( 0.632 1.426 0.253) 1.580 15.791 ( -1.120 -4.357 -0.747) 4.560 15.791 ( 1.120 -4.357 -0.747) 4.560 16.190 ( -2.428 6.288 1.099) 6.829 16.190 ( 2.428 6.288 1.099) 6.829 16.305 ( -1.680 3.837 -1.075) 4.325 16.305 ( 1.680 3.837 -1.075) 4.325 16.497 ( -1.033 -5.773 0.566) 5.892 16.497 ( 1.033 -5.773 0.566) 5.892 16.546 ( -0.878 -8.557 0.325) 8.608 16.546 ( 0.878 -8.557 0.325) 8.608 17.711 ( -0.341 -4.479 0.691) 4.545 17.711 ( 0.341 -4.479 0.691) 4.545 17.816 ( -0.226 -9.152 -0.243) 9.158 17.816 ( 0.226 -9.152 -0.243) 9.158 18.545 ( -1.181 -2.681 0.351) 2.951 18.545 ( 1.181 -2.681 0.351) 2.951 18.577 ( -1.474 -4.092 -0.381) 4.366 18.577 ( 1.474 -4.092 -0.381) 4.366 ======================= Grid point 175 (69/108) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.477 ( 0.000 -6.078 0.121) 6.079 4.477 ( 0.000 6.078 0.121) 6.079 4.659 ( 0.000 -0.162 0.125) 0.205 4.659 ( 0.000 0.162 0.125) 0.205 5.527 ( 0.000 -3.453 -0.386) 3.474 5.527 ( 0.000 3.453 -0.386) 3.474 5.533 ( 0.000 -0.105 -0.215) 0.239 5.533 ( 0.000 0.105 -0.215) 0.239 5.913 ( 0.000 -13.448 -0.604) 13.462 5.913 ( 0.000 13.448 -0.604) 13.462 6.065 ( 0.000 -10.416 -1.168) 10.481 6.065 ( 0.000 10.416 -1.168) 10.481 6.336 ( 0.000 -2.521 4.657) 5.295 6.336 ( 0.000 2.521 4.657) 5.295 6.482 ( 0.000 -0.750 0.716) 1.037 6.482 ( 0.000 0.750 0.716) 1.037 6.640 ( 0.000 -5.200 -1.726) 5.479 6.640 ( 0.000 5.200 -1.726) 5.479 6.712 ( 0.000 -4.184 1.325) 4.389 6.712 ( 0.000 4.184 1.325) 4.389 6.889 ( 0.000 -11.780 -2.824) 12.114 6.889 ( 0.000 11.780 -2.824) 12.114 7.103 ( 0.000 -14.431 -0.041) 14.431 7.103 ( 0.000 14.431 -0.041) 14.431 7.294 ( 0.000 -0.254 -1.166) 1.193 7.294 ( 0.000 0.254 -1.166) 1.193 7.453 ( 0.000 -1.134 0.802) 1.389 7.453 ( 0.000 1.134 0.802) 1.389 8.401 ( 0.000 -2.113 0.546) 2.182 8.401 ( 0.000 2.113 0.546) 2.182 8.892 ( 0.000 -0.175 0.106) 0.204 8.892 ( 0.000 0.175 0.106) 0.204 9.238 ( 0.000 -4.578 0.381) 4.594 9.238 ( 0.000 4.578 0.381) 4.594 9.554 ( 0.000 -1.427 -1.328) 1.949 9.554 ( 0.000 1.427 -1.328) 1.949 9.858 ( 0.000 -6.284 -3.170) 7.038 9.858 ( 0.000 6.284 -3.170) 7.038 10.099 ( 0.000 -1.990 3.356) 3.901 10.099 ( 0.000 1.990 3.356) 3.901 11.772 ( 0.000 -2.568 2.813) 3.809 11.772 ( 0.000 2.568 2.813) 3.809 12.085 ( 0.000 -3.087 -2.081) 3.723 12.085 ( 0.000 3.087 -2.081) 3.723 13.560 ( 0.000 -7.647 -1.112) 7.727 13.560 ( 0.000 7.647 -1.112) 7.727 13.660 ( 0.000 -5.280 1.151) 5.404 13.660 ( 0.000 5.280 1.151) 5.404 14.041 ( 0.000 -15.901 1.201) 15.946 14.041 ( 0.000 15.901 1.201) 15.946 14.095 ( 0.000 -3.052 -0.007) 3.052 14.095 ( 0.000 3.052 -0.007) 3.052 14.266 ( 0.000 -9.532 0.716) 9.558 14.266 ( 0.000 9.532 0.716) 9.558 14.369 ( 0.000 -2.625 -1.005) 2.811 14.369 ( 0.000 2.625 -1.005) 2.811 15.128 ( 0.000 -5.070 0.956) 5.160 15.128 ( 0.000 5.070 0.956) 5.160 15.258 ( 0.000 -5.039 -0.619) 5.077 15.258 ( 0.000 5.039 -0.619) 5.077 15.354 ( 0.000 -0.160 -3.006) 3.010 15.354 ( 0.000 0.160 -3.006) 3.010 15.429 ( 0.000 -2.100 0.790) 2.244 15.429 ( 0.000 2.100 0.790) 2.244 15.712 ( 0.000 -1.228 0.063) 1.230 15.712 ( 0.000 1.228 0.063) 1.230 15.840 ( 0.000 -1.001 0.177) 1.017 15.840 ( 0.000 1.001 0.177) 1.017 16.132 ( 0.000 -2.962 0.449) 2.996 16.132 ( 0.000 2.962 0.449) 2.996 16.160 ( 0.000 -3.656 -0.176) 3.660 16.160 ( 0.000 3.656 -0.176) 3.660 16.325 ( 0.000 -1.850 -3.001) 3.525 16.325 ( 0.000 1.850 -3.001) 3.525 16.470 ( 0.000 -0.219 2.942) 2.950 16.470 ( 0.000 0.219 2.942) 2.950 17.685 ( 0.000 -2.870 0.168) 2.875 17.685 ( 0.000 2.870 0.168) 2.875 17.703 ( 0.000 -1.956 0.290) 1.977 17.703 ( 0.000 1.956 0.290) 1.977 18.479 ( 0.000 -0.253 -0.061) 0.261 18.479 ( 0.000 0.253 -0.061) 0.261 18.583 ( 0.000 -1.080 -0.124) 1.087 18.583 ( 0.000 1.080 -0.124) 1.087 ======================= Grid point 177 (70/108) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.484 ( 0.686 -5.785 -0.073) 5.826 4.484 ( 0.686 5.785 -0.073) 5.826 4.641 ( -1.894 -1.533 -0.135) 2.440 4.641 ( -1.894 1.533 -0.135) 2.440 5.521 ( -0.432 -3.203 -0.433) 3.261 5.521 ( -0.432 3.203 -0.433) 3.261 5.532 ( -0.194 -1.169 -0.269) 1.215 5.532 ( -0.194 1.169 -0.269) 1.215 5.916 ( 0.393 -12.239 0.027) 12.246 5.916 ( 0.393 12.239 0.027) 12.246 6.049 ( -1.743 -10.808 0.507) 10.959 6.049 ( -1.743 10.808 0.507) 10.959 6.355 ( 2.056 -3.241 2.993) 4.867 6.355 ( 2.056 3.241 2.993) 4.867 6.497 ( 0.978 -1.585 0.599) 1.956 6.497 ( 0.978 1.585 0.599) 1.956 6.646 ( 0.874 -4.944 -1.743) 5.314 6.646 ( 0.874 4.944 -1.743) 5.314 6.718 ( 0.750 -5.347 0.777) 5.455 6.718 ( 0.750 5.347 0.777) 5.455 6.908 ( 1.900 -11.106 -2.174) 11.475 6.908 ( 1.900 11.106 -2.174) 11.475 7.105 ( 0.005 -12.625 -0.127) 12.626 7.105 ( 0.005 12.625 -0.127) 12.626 7.310 ( 1.621 -3.630 -1.085) 4.121 7.310 ( 1.621 3.630 -1.085) 4.121 7.439 ( -1.402 -1.472 0.619) 2.126 7.439 ( -1.402 1.472 0.619) 2.126 8.417 ( 1.716 -2.027 0.636) 2.731 8.417 ( 1.716 2.027 0.636) 2.731 8.813 ( -6.939 -2.078 0.390) 7.254 8.813 ( -6.939 2.078 0.390) 7.254 9.307 ( 5.819 -3.830 -0.228) 6.970 9.307 ( 5.819 3.830 -0.228) 6.970 9.549 ( -0.608 -1.937 -1.362) 2.445 9.549 ( -0.608 1.937 -1.362) 2.445 9.868 ( 1.125 -5.300 -2.652) 6.033 9.868 ( 1.125 5.300 -2.652) 6.033 10.077 ( -2.225 -1.503 3.302) 4.256 10.077 ( -2.225 1.503 3.302) 4.256 11.806 ( 3.484 -5.396 2.408) 6.860 11.806 ( 3.484 5.396 2.408) 6.860 12.076 ( -1.015 -5.803 -1.754) 6.147 12.076 ( -1.015 5.803 -1.754) 6.147 13.563 ( 0.067 -6.125 -1.174) 6.237 13.563 ( 0.067 6.125 -1.174) 6.237 13.644 ( -1.738 -2.959 1.179) 3.629 13.644 ( -1.738 2.959 1.179) 3.629 14.034 ( -0.194 -15.017 1.336) 15.078 14.034 ( -0.194 15.017 1.336) 15.078 14.095 ( 0.134 -4.493 -0.078) 4.495 14.095 ( 0.134 4.493 -0.078) 4.495 14.276 ( 0.919 -10.234 0.476) 10.286 14.276 ( 0.919 10.234 0.476) 10.286 14.358 ( -1.109 -6.525 -0.793) 6.666 14.358 ( -1.109 6.525 -0.793) 6.666 15.104 ( -2.784 -5.306 0.900) 6.059 15.104 ( -2.784 5.306 0.900) 6.059 15.189 ( -6.239 -3.674 -0.486) 7.256 15.189 ( -6.239 3.674 -0.486) 7.256 15.361 ( 0.348 -3.134 -2.156) 3.820 15.361 ( 0.348 3.134 -2.156) 3.820 15.423 ( -0.140 -4.419 -0.385) 4.438 15.423 ( -0.140 4.419 -0.385) 4.438 15.703 ( -0.648 -1.285 -0.015) 1.439 15.703 ( -0.648 1.285 -0.015) 1.439 15.798 ( -3.171 -2.155 0.327) 3.848 15.798 ( -3.171 2.155 0.327) 3.848 16.203 ( 5.627 -2.079 -0.006) 5.999 16.203 ( 5.627 2.079 -0.006) 5.999 16.213 ( 4.928 -3.214 0.085) 5.884 16.213 ( 4.928 3.214 0.085) 5.884 16.339 ( 1.460 -0.977 -2.327) 2.916 16.339 ( 1.460 0.977 -2.327) 2.916 16.462 ( -0.891 -0.212 2.630) 2.784 16.462 ( -0.891 0.212 2.630) 2.784 17.686 ( 0.041 -2.810 0.166) 2.815 17.686 ( 0.041 2.810 0.166) 2.815 17.701 ( -0.150 -2.011 0.275) 2.035 17.701 ( -0.150 2.011 0.275) 2.035 18.484 ( 0.607 -0.415 -0.067) 0.738 18.484 ( 0.607 0.415 -0.067) 0.738 18.575 ( -0.862 -1.047 -0.117) 1.362 18.575 ( -0.862 1.047 -0.117) 1.362 ======================= Grid point 179 (71/108) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 1.585 -5.027 -0.477) 5.293 4.504 ( 1.585 5.027 -0.477) 5.293 4.595 ( -2.841 -2.893 -0.587) 4.096 4.595 ( -2.841 2.893 -0.587) 4.096 5.516 ( -0.085 -2.900 -0.476) 2.940 5.516 ( -0.085 2.900 -0.476) 2.940 5.526 ( -0.403 -1.552 -0.385) 1.649 5.526 ( -0.403 1.552 -0.385) 1.649 5.931 ( 1.288 -9.788 1.385) 9.969 5.931 ( 1.288 9.788 1.385) 9.969 6.007 ( -2.481 -9.389 2.330) 9.987 6.007 ( -2.481 9.389 2.330) 9.987 6.405 ( 2.990 -3.766 1.103) 4.934 6.405 ( 2.990 3.766 1.103) 4.934 6.496 ( -1.218 -3.708 0.305) 3.915 6.496 ( -1.218 3.708 0.305) 3.915 6.679 ( 2.485 -2.353 -1.592) 3.775 6.679 ( 2.485 2.353 -1.592) 3.775 6.733 ( 0.429 -4.633 -0.380) 4.668 6.733 ( 0.429 4.633 -0.380) 4.668 6.956 ( 3.333 -8.874 -1.054) 9.538 6.956 ( 3.333 8.874 -1.054) 9.538 7.089 ( -2.111 -8.647 -0.192) 8.903 7.089 ( -2.111 8.647 -0.192) 8.903 7.347 ( 2.162 -4.932 -0.855) 5.453 7.347 ( 2.162 4.932 -0.855) 5.453 7.410 ( -1.494 -2.664 0.087) 3.056 7.410 ( -1.494 2.664 0.087) 3.056 8.466 ( 3.634 -1.901 0.803) 4.179 8.466 ( 3.634 1.901 0.803) 4.179 8.675 ( -7.269 -2.314 0.693) 7.660 8.675 ( -7.269 2.314 0.693) 7.660 9.412 ( 4.926 -2.287 -1.269) 5.578 9.412 ( 4.926 2.287 -1.269) 5.578 9.529 ( -1.638 -1.970 -1.583) 3.011 9.529 ( -1.638 1.970 -1.583) 3.011 9.902 ( 2.558 -3.202 -0.959) 4.209 9.902 ( 2.558 3.202 -0.959) 4.209 10.023 ( -3.302 -0.557 2.772) 4.348 10.023 ( -3.302 0.557 2.772) 4.348 11.890 ( 5.094 -9.160 1.418) 10.577 11.890 ( 5.094 9.160 1.418) 10.577 12.045 ( -2.473 -9.547 -0.905) 9.903 12.045 ( -2.473 9.547 -0.905) 9.903 13.559 ( -0.354 -4.169 -0.795) 4.259 13.559 ( -0.354 4.169 -0.795) 4.259 13.600 ( -2.594 -1.332 0.835) 3.033 13.600 ( -2.594 1.332 0.835) 3.033 14.050 ( 1.931 -11.070 1.175) 11.298 14.050 ( 1.931 11.070 1.175) 11.298 14.100 ( 0.162 -4.133 0.016) 4.136 14.100 ( 0.162 4.133 0.016) 4.136 14.293 ( 0.770 -10.840 0.065) 10.867 14.293 ( 0.770 10.840 0.065) 10.867 14.332 ( -1.504 -10.165 -0.361) 10.282 14.332 ( -1.504 10.165 -0.361) 10.282 15.034 ( -3.859 -3.656 0.633) 5.354 15.034 ( -3.859 3.656 0.633) 5.354 15.067 ( -5.861 -2.013 -0.190) 6.200 15.067 ( -5.861 2.013 -0.190) 6.200 15.376 ( 1.454 -5.569 -1.178) 5.875 15.376 ( 1.454 5.569 -1.178) 5.875 15.423 ( -0.212 -6.138 -1.476) 6.317 15.423 ( -0.212 6.138 -1.476) 6.317 15.698 ( 0.223 -1.723 -0.213) 1.750 15.698 ( 0.223 1.723 -0.213) 1.750 15.747 ( -2.234 -2.537 0.079) 3.381 15.747 ( -2.234 2.537 0.079) 3.381 16.291 ( 3.537 -5.755 -0.059) 6.755 16.291 ( 3.537 5.755 -0.059) 6.755 16.303 ( 3.633 -2.663 -0.016) 4.504 16.303 ( 3.633 2.663 -0.016) 4.504 16.379 ( 2.549 -2.673 -0.680) 3.756 16.379 ( 2.549 2.673 -0.680) 3.756 16.440 ( -1.289 -1.455 1.673) 2.565 16.440 ( -1.289 1.455 1.673) 2.565 17.687 ( 0.164 -2.641 0.171) 2.652 17.687 ( 0.164 2.641 0.171) 2.652 17.697 ( -0.271 -2.172 0.239) 2.202 17.697 ( -0.271 2.172 0.239) 2.202 18.501 ( 1.141 -0.649 -0.080) 1.315 18.501 ( 1.141 0.649 -0.080) 1.315 18.553 ( -1.400 -0.959 -0.102) 1.700 18.553 ( -1.400 0.959 -0.102) 1.700 ======================= Grid point 181 (72/108) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( -2.432 -4.308 -0.733) 5.001 4.543 ( 2.212 -4.278 -0.733) 4.871 4.543 ( -2.212 4.278 -0.733) 4.871 4.543 ( 2.432 4.308 -0.733) 5.001 5.518 ( -0.257 -2.950 -0.462) 2.998 5.518 ( 0.241 -2.950 -0.462) 2.996 5.518 ( -0.241 2.950 -0.462) 2.996 5.518 ( 0.257 2.950 -0.462) 2.998 5.963 ( -1.905 -9.325 2.431) 9.823 5.963 ( 1.808 -9.320 2.431) 9.800 5.963 ( -1.808 9.320 2.431) 9.800 5.963 ( 1.905 9.325 2.431) 9.823 6.458 ( -2.394 -4.712 0.387) 5.299 6.458 ( 2.057 -4.672 0.387) 5.119 6.458 ( -2.057 4.672 0.387) 5.119 6.458 ( 2.394 4.712 0.387) 5.299 6.722 ( -1.134 -5.210 -1.254) 5.477 6.722 ( 0.766 -5.193 -1.254) 5.397 6.722 ( -0.766 5.193 -1.254) 5.397 6.722 ( 1.134 5.210 -1.254) 5.477 7.028 ( -3.346 -8.718 -0.345) 9.344 7.028 ( 2.540 -8.649 -0.345) 9.021 7.028 ( -2.540 8.649 -0.345) 9.021 7.028 ( 3.346 8.718 -0.345) 9.344 7.383 ( -1.281 -5.456 -0.488) 5.625 7.383 ( 1.085 -5.445 -0.488) 5.573 7.383 ( -1.085 5.445 -0.488) 5.574 7.383 ( 1.281 5.456 -0.488) 5.625 8.553 ( -5.662 -2.035 0.848) 6.076 8.553 ( -5.348 1.810 0.848) 5.709 8.553 ( 5.348 -1.810 0.848) 5.709 8.553 ( 5.662 2.035 0.848) 6.076 9.486 ( -2.833 -1.666 -1.784) 3.740 9.486 ( -0.492 -0.911 -1.784) 2.063 9.486 ( 0.492 0.911 -1.784) 2.063 9.486 ( 2.833 1.666 -1.784) 3.740 9.960 ( -2.080 -4.121 1.255) 4.784 9.960 ( -0.209 -3.989 1.255) 4.187 9.960 ( 0.209 3.989 1.255) 4.187 9.960 ( 2.080 4.121 1.255) 4.784 11.981 ( -4.135 -11.692 0.225) 12.403 11.981 ( 3.936 -11.674 0.225) 12.322 11.981 ( -3.936 11.674 0.225) 12.322 11.981 ( 4.135 11.692 0.225) 12.403 13.563 ( -0.773 -4.874 0.057) 4.935 13.563 ( 0.620 -4.869 0.057) 4.908 13.563 ( -0.620 4.869 0.057) 4.908 13.563 ( 0.773 4.874 0.057) 4.935 14.089 ( -1.555 -3.819 0.540) 4.159 14.089 ( 1.536 -3.817 0.540) 4.150 14.089 ( -1.536 3.817 0.540) 4.150 14.089 ( 1.555 3.819 0.540) 4.159 14.308 ( -0.923 -11.956 -0.140) 11.993 14.308 ( 0.910 -11.956 -0.140) 11.991 14.308 ( -0.910 11.956 -0.140) 11.991 14.308 ( 0.923 11.956 -0.140) 11.993 14.999 ( -0.801 -2.090 0.225) 2.249 14.999 ( 0.738 -2.084 0.225) 2.222 14.999 ( -0.738 2.084 0.225) 2.222 14.999 ( 0.801 2.090 0.225) 2.249 15.407 ( -1.421 -6.276 -1.264) 6.558 15.407 ( 1.386 -6.274 -1.264) 6.548 15.407 ( -1.386 6.274 -1.264) 6.548 15.407 ( 1.421 6.276 -1.264) 6.558 15.713 ( -1.109 -3.130 -0.268) 3.331 15.713 ( 0.814 -3.107 -0.268) 3.223 15.713 ( -0.814 3.107 -0.268) 3.223 15.713 ( 1.109 3.130 -0.268) 3.331 16.331 ( -0.559 -6.252 0.205) 6.280 16.331 ( 0.548 -6.252 0.205) 6.279 16.331 ( -0.548 6.252 0.205) 6.279 16.331 ( 0.559 6.252 0.205) 6.280 16.417 ( -1.338 -3.541 0.398) 3.806 16.417 ( 1.286 -3.536 0.398) 3.784 16.417 ( -1.286 3.536 0.398) 3.784 16.417 ( 1.338 3.541 0.398) 3.806 17.692 ( -0.249 -2.781 0.198) 2.799 17.692 ( 0.242 -2.780 0.198) 2.798 17.692 ( -0.242 2.780 0.198) 2.798 17.692 ( 0.249 2.781 0.198) 2.799 18.526 ( -1.458 -0.841 -0.090) 1.686 18.526 ( 0.772 -0.570 -0.090) 0.964 18.526 ( -0.772 0.570 -0.090) 0.964 18.526 ( 1.458 0.841 -0.090) 1.686 ======================= Grid point 238 (73/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 0.000 29.506) 29.506 1.436 ( 0.000 0.000 38.077) 38.077 1.616 ( 0.000 0.000 -32.378) 32.378 2.137 ( 0.000 0.000 -36.540) 36.540 2.509 ( 0.000 0.000 62.911) 62.911 3.277 ( 0.000 0.000 9.352) 9.352 3.354 ( 0.000 0.000 16.152) 16.152 3.680 ( 0.000 0.000 -37.128) 37.128 3.697 ( 0.000 0.000 -19.739) 19.739 3.699 ( 0.000 0.000 -14.232) 14.232 4.117 ( 0.000 0.000 -3.762) 3.762 4.172 ( 0.000 0.000 -3.874) 3.874 4.309 ( 0.000 0.000 27.393) 27.393 4.563 ( 0.000 0.000 4.020) 4.020 4.649 ( 0.000 0.000 -5.023) 5.023 4.832 ( 0.000 0.000 22.201) 22.201 4.855 ( 0.000 0.000 -27.629) 27.629 5.077 ( 0.000 0.000 4.809) 4.809 5.115 ( 0.000 0.000 -5.681) 5.681 5.222 ( 0.000 0.000 -12.218) 12.218 5.247 ( 0.000 0.000 16.230) 16.230 5.545 ( 0.000 0.000 -5.110) 5.110 5.837 ( 0.000 0.000 -10.215) 10.215 5.864 ( 0.000 0.000 -4.585) 4.585 6.033 ( 0.000 0.000 14.684) 14.684 6.226 ( 0.000 0.000 13.963) 13.963 6.296 ( 0.000 0.000 -12.551) 12.551 6.444 ( 0.000 0.000 -8.399) 8.399 7.028 ( 0.000 0.000 3.328) 3.328 7.096 ( 0.000 0.000 -0.775) 0.775 7.523 ( 0.000 0.000 10.038) 10.038 7.579 ( 0.000 0.000 3.311) 3.311 7.613 ( 0.000 0.000 -3.829) 3.829 7.745 ( 0.000 0.000 -6.982) 6.982 8.135 ( 0.000 0.000 5.053) 5.053 8.249 ( 0.000 0.000 -6.891) 6.891 8.258 ( 0.000 0.000 9.035) 9.035 8.402 ( 0.000 0.000 -6.267) 6.267 8.673 ( 0.000 0.000 15.418) 15.418 8.941 ( 0.000 0.000 -12.424) 12.424 11.886 ( 0.000 0.000 12.580) 12.580 12.153 ( 0.000 0.000 -15.338) 15.338 13.392 ( 0.000 0.000 3.649) 3.649 13.424 ( 0.000 0.000 -0.085) 0.085 13.896 ( 0.000 0.000 0.665) 0.665 13.908 ( 0.000 0.000 -0.548) 0.548 14.158 ( 0.000 0.000 4.701) 4.701 14.220 ( 0.000 0.000 -1.120) 1.120 14.228 ( 0.000 0.000 -1.880) 1.880 14.249 ( 0.000 0.000 -4.852) 4.852 14.446 ( 0.000 0.000 -0.458) 0.458 14.457 ( 0.000 0.000 -1.620) 1.620 14.616 ( 0.000 0.000 0.001) 0.001 14.621 ( 0.000 0.000 -0.408) 0.408 14.679 ( 0.000 0.000 2.409) 2.409 14.701 ( 0.000 0.000 0.059) 0.059 15.026 ( 0.000 0.000 2.177) 2.177 15.044 ( 0.000 0.000 0.289) 0.289 15.132 ( 0.000 0.000 3.119) 3.119 15.187 ( 0.000 0.000 -2.483) 2.483 15.258 ( 0.000 0.000 0.343) 0.343 15.270 ( 0.000 0.000 -0.789) 0.789 15.811 ( 0.000 0.000 0.237) 0.237 15.814 ( 0.000 0.000 -0.139) 0.139 15.889 ( 0.000 0.000 2.512) 2.512 15.901 ( 0.000 0.000 1.542) 1.542 15.935 ( 0.000 0.000 -2.013) 2.013 15.937 ( 0.000 0.000 -2.506) 2.506 16.178 ( 0.000 0.000 4.315) 4.315 16.259 ( 0.000 0.000 -4.143) 4.143 16.508 ( 0.000 0.000 0.753) 0.753 16.522 ( 0.000 0.000 -0.740) 0.740 16.765 ( 0.000 0.000 -0.573) 0.573 16.772 ( 0.000 0.000 -1.088) 1.088 17.073 ( 0.000 0.000 1.964) 1.964 17.097 ( 0.000 0.000 -0.523) 0.523 17.928 ( 0.000 0.000 1.292) 1.292 17.954 ( 0.000 0.000 -1.264) 1.264 18.028 ( 0.000 0.000 4.194) 4.194 18.112 ( 0.000 0.000 -4.431) 4.431 19.109 ( 0.000 0.000 0.676) 0.676 19.123 ( 0.000 0.000 -0.754) 0.754 19.405 ( 0.000 0.000 2.861) 2.861 19.457 ( 0.000 0.000 -2.501) 2.501 ======================= Grid point 239 (74/108) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 26.933 0.000 22.910) 35.359 1.554 ( 12.203 0.000 35.189) 37.245 1.828 ( 20.075 0.000 -28.154) 34.578 2.216 ( 8.338 0.000 -34.958) 35.939 2.671 ( 17.784 0.000 58.055) 60.718 3.114 ( -15.956 0.000 17.548) 23.718 3.165 ( -18.149 0.000 16.784) 24.721 3.472 ( -17.284 0.000 -14.320) 22.445 3.518 ( -16.726 0.000 -20.049) 26.109 3.734 ( 8.155 0.000 -44.403) 45.146 4.283 ( 8.868 0.000 8.329) 12.166 4.309 ( 10.384 0.000 3.998) 11.127 4.429 ( 13.271 0.000 7.782) 15.384 4.650 ( 7.326 0.000 3.514) 8.125 4.713 ( 4.616 0.000 -1.868) 4.979 4.870 ( 1.508 0.000 -23.359) 23.408 4.873 ( 3.515 0.000 14.680) 15.095 5.007 ( -4.393 0.000 1.042) 4.515 5.158 ( -10.295 0.000 16.149) 19.152 5.185 ( 6.593 0.000 1.770) 6.826 5.333 ( 10.302 0.000 -11.002) 15.072 5.494 ( -6.439 0.000 -9.404) 11.398 5.776 ( -5.588 0.000 -9.040) 10.628 5.820 ( -3.043 0.000 -4.101) 5.107 5.990 ( -4.530 0.000 13.940) 14.657 6.180 ( -3.351 0.000 13.445) 13.857 6.245 ( -5.407 0.000 -12.314) 13.449 6.418 ( -4.271 0.000 -10.251) 11.105 7.002 ( -1.436 0.000 6.190) 6.355 7.102 ( 1.209 0.000 -3.390) 3.599 7.524 ( -4.108 0.000 7.882) 8.888 7.538 ( 1.198 0.000 10.872) 10.938 7.674 ( -3.153 0.000 -7.585) 8.214 7.698 ( 3.585 0.000 -5.541) 6.600 8.164 ( -8.887 0.000 7.140) 11.400 8.215 ( 6.697 0.000 4.851) 8.270 8.270 ( -9.601 0.000 -3.224) 10.128 8.343 ( 7.003 0.000 -6.734) 9.716 8.708 ( 2.974 0.000 12.537) 12.885 8.962 ( 0.939 0.000 -12.502) 12.537 11.926 ( 4.253 0.000 11.355) 12.125 12.167 ( 1.496 0.000 -13.802) 13.883 13.229 ( -13.467 0.000 2.655) 13.726 13.261 ( -13.851 0.000 -0.701) 13.869 13.914 ( 2.979 0.000 0.419) 3.008 13.924 ( 2.795 0.000 -0.638) 2.867 14.182 ( -3.329 0.000 -0.941) 3.460 14.188 ( -3.439 0.000 -1.582) 3.786 14.322 ( 7.357 0.000 1.309) 7.473 14.375 ( 3.859 0.000 -3.572) 5.259 14.404 ( -3.992 0.000 -0.576) 4.033 14.411 ( -4.258 0.000 -1.307) 4.454 14.648 ( 8.477 0.000 1.003) 8.537 14.670 ( 8.888 0.000 -1.221) 8.971 14.732 ( 4.961 0.000 1.826) 5.287 14.746 ( 4.367 0.000 0.370) 4.383 15.089 ( 5.731 0.000 1.947) 6.053 15.106 ( 5.605 0.000 0.183) 5.608 15.205 ( 6.487 0.000 2.512) 6.957 15.243 ( 5.140 0.000 -1.181) 5.274 15.315 ( 4.126 0.000 -0.084) 4.127 15.330 ( 7.096 0.000 -1.755) 7.310 15.801 ( -0.569 0.000 1.354) 1.469 15.827 ( 0.322 0.000 -1.338) 1.376 15.885 ( -0.384 0.000 2.192) 2.226 15.927 ( -1.016 0.000 -2.214) 2.436 15.930 ( 3.100 0.000 1.472) 3.432 15.964 ( 3.472 0.000 -2.015) 4.015 16.162 ( -1.587 0.000 3.885) 4.196 16.235 ( -2.484 0.000 -3.714) 4.468 16.483 ( -2.205 0.000 1.382) 2.603 16.506 ( -1.404 0.000 -1.088) 1.776 16.711 ( -5.310 0.000 0.111) 5.312 16.727 ( -4.567 0.000 -1.437) 4.788 16.986 ( -8.271 0.000 3.817) 9.109 17.031 ( -7.042 0.000 -1.344) 7.169 17.934 ( 0.567 0.000 1.469) 1.575 17.962 ( 0.788 0.000 -1.217) 1.450 18.022 ( -0.534 0.000 3.721) 3.759 18.101 ( -1.135 0.000 -4.222) 4.372 19.117 ( 0.777 0.000 0.851) 1.152 19.133 ( 1.015 0.000 -0.841) 1.318 19.371 ( -3.284 0.000 1.796) 3.743 19.389 ( -5.892 0.000 0.480) 5.912 ======================= Grid point 240 (75/108) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 24.494 0.000 20.841) 32.161 1.865 ( 20.362 0.000 29.253) 35.642 2.234 ( 19.278 0.000 -20.476) 28.123 2.435 ( 14.525 0.000 -30.240) 33.547 2.758 ( -23.751 0.000 18.387) 30.037 2.782 ( -16.054 0.000 18.700) 24.646 3.131 ( -18.413 0.000 -17.254) 25.233 3.155 ( -20.895 0.000 -22.522) 30.722 3.173 ( 34.217 0.000 44.527) 56.156 4.009 ( 20.028 0.000 -37.779) 42.759 4.347 ( -7.299 0.000 13.244) 15.122 4.461 ( 6.416 0.000 10.726) 12.499 4.609 ( -0.174 0.000 3.851) 3.855 4.766 ( 4.293 0.000 4.421) 6.163 4.797 ( 4.707 0.000 0.946) 4.801 4.827 ( -11.054 0.000 0.703) 11.076 4.901 ( -1.287 0.000 4.394) 4.578 4.937 ( -2.699 0.000 1.202) 2.955 4.990 ( 3.008 0.000 -8.827) 9.326 5.277 ( -14.858 0.000 -23.517) 27.818 5.377 ( 12.903 0.000 8.118) 15.244 5.560 ( 12.607 0.000 -8.351) 15.122 5.735 ( 3.637 0.000 -1.386) 3.892 5.820 ( 2.848 0.000 -6.282) 6.897 5.872 ( -7.317 0.000 10.502) 12.799 6.099 ( -10.088 0.000 -11.685) 15.437 6.102 ( -5.187 0.000 9.559) 10.875 6.268 ( -11.521 0.000 -5.499) 12.766 7.032 ( 5.674 0.000 8.418) 10.152 7.154 ( 4.390 0.000 -3.511) 5.621 7.411 ( -7.235 0.000 6.492) 9.720 7.512 ( -8.519 0.000 -0.686) 8.546 7.628 ( 3.158 0.000 7.983) 8.585 7.790 ( 3.265 0.000 -7.199) 7.904 7.978 ( -8.516 0.000 3.818) 9.333 8.073 ( -8.312 0.000 -5.862) 10.171 8.373 ( 8.142 0.000 8.321) 11.642 8.478 ( 4.972 0.000 1.490) 5.190 8.769 ( 3.885 0.000 2.866) 4.828 8.945 ( -2.921 0.000 -10.970) 11.352 12.037 ( 7.140 0.000 7.794) 10.570 12.196 ( 0.799 0.000 -8.582) 8.619 12.985 ( -10.743 0.000 0.766) 10.770 13.018 ( -10.893 0.000 -2.353) 11.144 13.995 ( 5.179 0.000 0.263) 5.186 14.005 ( 5.172 0.000 -0.763) 5.228 14.123 ( -2.464 0.000 -0.824) 2.598 14.127 ( -2.650 0.000 -1.197) 2.908 14.315 ( -4.762 0.000 -0.563) 4.795 14.322 ( -5.395 0.000 -1.148) 5.516 14.329 ( -3.305 0.000 -0.645) 3.367 14.332 ( -3.478 0.000 -0.940) 3.602 14.828 ( 4.449 0.000 1.174) 4.602 14.833 ( 4.099 0.000 0.672) 4.153 14.905 ( 13.777 0.000 0.869) 13.804 14.923 ( 13.208 0.000 -0.947) 13.242 15.197 ( 4.935 0.000 1.539) 5.170 15.209 ( 4.471 0.000 0.317) 4.482 15.304 ( 3.735 0.000 2.863) 4.706 15.355 ( 2.898 0.000 -2.153) 3.611 15.404 ( 7.522 0.000 2.489) 7.923 15.476 ( 7.038 0.000 -4.328) 8.262 15.783 ( -1.404 0.000 1.214) 1.856 15.814 ( -1.769 0.000 -2.074) 2.726 15.881 ( 0.121 0.000 1.273) 1.278 15.906 ( -1.084 0.000 -1.303) 1.695 16.008 ( 4.750 0.000 2.338) 5.294 16.052 ( 4.456 0.000 -2.174) 4.958 16.129 ( -1.465 0.000 2.454) 2.858 16.176 ( -3.452 0.000 -2.377) 4.191 16.456 ( 0.633 0.000 2.187) 2.277 16.492 ( 0.675 0.000 -1.540) 1.681 16.601 ( -5.387 0.000 0.603) 5.421 16.623 ( -5.770 0.000 -1.688) 6.012 16.807 ( -9.812 0.000 4.076) 10.625 16.855 ( -10.806 0.000 -1.324) 10.887 17.949 ( 0.992 0.000 1.943) 2.181 17.977 ( 0.401 0.000 0.373) 0.548 18.015 ( 0.154 0.000 0.982) 0.994 18.073 ( -1.862 0.000 -3.624) 4.074 19.139 ( 1.573 0.000 1.264) 2.018 19.159 ( 1.620 0.000 -0.870) 1.838 19.283 ( -4.559 0.000 2.579) 5.238 19.302 ( -3.850 0.000 0.166) 3.854 ======================= Grid point 241 (76/108) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -17.149 0.000 15.560) 23.156 2.247 ( 17.149 0.000 15.560) 23.156 2.287 ( -24.063 0.000 23.408) 33.570 2.287 ( 24.063 0.000 23.408) 33.570 2.773 ( -19.277 0.000 -26.426) 32.710 2.773 ( 19.277 0.000 -26.426) 32.710 2.792 ( -16.322 0.000 -13.050) 20.898 2.792 ( 16.322 0.000 -13.050) 20.898 3.863 ( -36.117 0.000 28.362) 45.922 3.863 ( 36.117 0.000 28.362) 45.922 4.422 ( -18.278 0.000 -16.326) 24.507 4.422 ( 18.278 0.000 -16.326) 24.507 4.620 ( -10.949 0.000 5.212) 12.126 4.620 ( 10.949 0.000 5.212) 12.126 4.830 ( -2.598 0.000 4.429) 5.135 4.830 ( 2.598 0.000 4.429) 5.135 4.892 ( -2.444 0.000 0.328) 2.465 4.892 ( 2.444 0.000 0.328) 2.465 5.091 ( -5.656 0.000 -18.293) 19.147 5.091 ( 5.656 0.000 -18.293) 19.147 5.609 ( -9.965 0.000 9.646) 13.869 5.609 ( 9.965 0.000 9.646) 13.869 5.853 ( -3.849 0.000 -7.130) 8.103 5.853 ( 3.849 0.000 -7.130) 8.103 5.888 ( -11.130 0.000 -9.629) 14.717 5.888 ( 11.130 0.000 -9.629) 14.717 6.061 ( -5.863 0.000 6.183) 8.521 6.061 ( 5.863 0.000 6.183) 8.521 7.188 ( -7.289 0.000 6.671) 9.881 7.188 ( 7.289 0.000 6.671) 9.881 7.334 ( -5.746 0.000 -3.004) 6.484 7.334 ( 5.746 0.000 -3.004) 6.484 7.731 ( -6.831 0.000 8.520) 10.920 7.731 ( 6.831 0.000 8.520) 10.920 7.960 ( -4.327 0.000 -8.697) 9.714 7.960 ( 4.327 0.000 -8.697) 9.714 8.489 ( -3.516 0.000 9.047) 9.706 8.489 ( 3.516 0.000 9.047) 9.706 8.862 ( -5.461 0.000 -7.275) 9.096 8.862 ( 5.461 0.000 -7.275) 9.096 12.161 ( -4.977 0.000 0.690) 5.025 12.161 ( 4.977 0.000 0.690) 5.025 12.891 ( -1.476 0.000 -2.143) 2.602 12.891 ( 1.476 0.000 -2.143) 2.602 14.068 ( -0.578 0.000 -0.386) 0.695 14.068 ( 0.578 0.000 -0.386) 0.695 14.100 ( -0.112 0.000 -0.932) 0.939 14.100 ( 0.112 0.000 -0.932) 0.939 14.250 ( -0.484 0.000 -0.613) 0.781 14.250 ( 0.484 0.000 -0.613) 0.781 14.297 ( -0.071 0.000 -0.743) 0.746 14.297 ( 0.071 0.000 -0.743) 0.746 14.874 ( -0.108 0.000 0.874) 0.881 14.874 ( 0.108 0.000 0.874) 0.881 15.054 ( -0.627 0.000 0.333) 0.710 15.054 ( 0.627 0.000 0.333) 0.710 15.250 ( -0.363 0.000 0.909) 0.978 15.250 ( 0.363 0.000 0.909) 0.978 15.352 ( -1.714 0.000 1.826) 2.504 15.352 ( 1.714 0.000 1.826) 2.504 15.529 ( -2.909 0.000 -1.856) 3.451 15.529 ( 2.909 0.000 -1.856) 3.451 15.773 ( -1.473 0.000 -1.178) 1.886 15.773 ( 1.473 0.000 -1.178) 1.886 15.889 ( -0.693 0.000 0.024) 0.694 15.889 ( 0.693 0.000 0.024) 0.694 16.077 ( -1.842 0.000 0.864) 2.035 16.077 ( 1.842 0.000 0.864) 2.035 16.126 ( -1.407 0.000 -0.042) 1.407 16.126 ( 1.407 0.000 -0.042) 1.407 16.521 ( -3.348 0.000 -0.790) 3.440 16.521 ( 3.348 0.000 -0.790) 3.440 16.541 ( -1.801 0.000 0.027) 1.801 16.541 ( 1.801 0.000 0.027) 1.801 16.698 ( -2.140 0.000 1.236) 2.472 16.698 ( 2.140 0.000 1.236) 2.472 17.968 ( -1.019 0.000 2.369) 2.579 17.968 ( 1.019 0.000 2.369) 2.579 18.037 ( -1.842 0.000 -2.551) 3.147 18.037 ( 1.842 0.000 -2.551) 3.147 19.170 ( -1.223 0.000 0.928) 1.535 19.170 ( 1.223 0.000 0.928) 1.535 19.246 ( -1.361 0.000 0.516) 1.456 19.246 ( 1.361 0.000 0.516) 1.456 ======================= Grid point 245 (77/108) ======================= q-point: ( 0.00 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 17.153 25.731) 30.924 1.644 ( 0.000 19.207 28.028) 33.977 1.756 ( 0.000 13.453 -24.614) 28.051 2.301 ( 0.000 15.224 -34.840) 38.021 2.868 ( 0.000 33.640 51.957) 61.896 3.343 ( 0.000 6.334 15.513) 16.757 3.468 ( 0.000 12.330 10.650) 16.293 3.711 ( 0.000 3.577 -16.235) 16.624 3.797 ( 0.000 7.438 -13.364) 15.294 3.839 ( 0.000 13.611 -25.428) 28.842 4.221 ( 0.000 11.712 -11.209) 16.212 4.246 ( 0.000 6.108 -6.009) 8.568 4.346 ( 0.000 5.863 26.738) 27.373 4.719 ( 0.000 12.657 5.884) 13.958 4.781 ( 0.000 8.547 -10.350) 13.423 4.899 ( 0.000 8.465 -19.198) 20.981 5.003 ( 0.000 15.685 19.583) 25.090 5.221 ( 0.000 11.607 9.237) 14.834 5.300 ( 0.000 15.349 -9.506) 18.054 5.374 ( 0.000 14.045 8.870) 16.611 5.382 ( 0.000 17.487 -7.950) 19.210 5.607 ( 0.000 6.042 -9.273) 11.067 5.912 ( 0.000 4.850 -2.392) 5.408 5.915 ( 0.000 6.982 -5.676) 8.998 6.170 ( 0.000 12.980 10.525) 16.711 6.257 ( 0.000 4.327 13.923) 14.580 6.411 ( 0.000 9.833 -12.070) 15.568 6.479 ( 0.000 4.994 -9.093) 10.374 7.039 ( 0.000 1.085 3.159) 3.340 7.105 ( 0.000 1.054 -1.271) 1.651 7.525 ( 0.000 -0.257 10.661) 10.664 7.561 ( 0.000 -0.935 1.563) 1.821 7.597 ( 0.000 -1.873 -2.264) 2.938 7.703 ( 0.000 -3.199 -5.044) 5.973 8.108 ( 0.000 -2.655 4.809) 5.493 8.180 ( 0.000 -6.670 7.323) 9.905 8.198 ( 0.000 -6.403 -3.474) 7.285 8.299 ( 0.000 -6.237 -5.903) 8.587 8.626 ( 0.000 -3.443 16.404) 16.761 8.898 ( 0.000 -3.966 -12.225) 12.852 11.913 ( 0.000 2.625 11.626) 11.919 12.157 ( 0.000 0.459 -13.929) 13.937 13.311 ( 0.000 -7.497 2.275) 7.834 13.320 ( 0.000 -9.915 1.034) 9.969 13.773 ( 0.000 -8.898 0.438) 8.909 13.783 ( 0.000 -8.716 -0.628) 8.739 14.085 ( 0.000 -5.917 3.678) 6.967 14.160 ( 0.000 -5.947 -4.271) 7.322 14.273 ( 0.000 3.246 -0.555) 3.293 14.285 ( 0.000 3.513 -1.599) 3.860 14.512 ( 0.000 -2.486 0.677) 2.576 14.529 ( 0.000 -2.356 -1.125) 2.611 14.626 ( 0.000 4.473 0.028) 4.473 14.639 ( 0.000 7.646 -1.307) 7.757 14.728 ( 0.000 5.647 0.409) 5.662 14.734 ( 0.000 2.429 -0.272) 2.444 15.015 ( 0.000 -1.362 1.503) 2.028 15.020 ( 0.000 -1.851 1.202) 2.207 15.150 ( 0.000 1.209 1.427) 1.871 15.172 ( 0.000 -1.118 -0.495) 1.223 15.220 ( 0.000 -2.359 1.079) 2.594 15.249 ( 0.000 -0.988 -1.651) 1.924 15.785 ( 0.000 -3.025 1.282) 3.285 15.795 ( 0.000 -1.477 -0.169) 1.486 15.871 ( 0.000 -1.529 1.923) 2.457 15.901 ( 0.000 -0.871 -0.988) 1.317 15.941 ( 0.000 2.558 0.590) 2.625 15.959 ( 0.000 1.551 -1.003) 1.847 16.290 ( 0.000 7.131 2.804) 7.662 16.344 ( 0.000 6.534 -2.841) 7.125 16.527 ( 0.000 0.412 -0.210) 0.462 16.527 ( 0.000 1.459 -0.289) 1.487 16.678 ( 0.000 -6.088 0.670) 6.124 16.694 ( 0.000 -6.237 -1.088) 6.331 16.905 ( 0.000 -10.784 2.491) 11.068 16.931 ( 0.000 -13.344 -0.474) 13.352 17.983 ( 0.000 4.812 1.948) 5.191 18.021 ( 0.000 5.739 -2.009) 6.080 18.149 ( 0.000 9.212 7.038) 11.593 18.327 ( 0.000 13.860 -12.551) 18.698 19.098 ( 0.000 -1.142 0.706) 1.342 19.112 ( 0.000 -1.139 -0.727) 1.351 19.380 ( 0.000 -2.522 2.674) 3.676 19.425 ( 0.000 -3.111 -1.946) 3.669 ======================= Grid point 246 (78/108) ======================= q-point: ( 0.17 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 23.762 13.370 21.555) 34.756 1.745 ( 10.442 17.803 28.871) 35.489 1.947 ( 18.520 11.701 -23.803) 32.349 2.377 ( 7.992 14.741 -33.497) 37.460 3.008 ( 15.096 31.481 47.519) 58.966 3.159 ( -16.784 6.033 17.252) 24.814 3.296 ( -16.510 11.570 12.354) 23.644 3.521 ( -15.483 6.673 -13.262) 21.450 3.652 ( -14.497 11.614 -15.607) 24.262 3.905 ( 7.512 15.346 -31.942) 36.225 4.349 ( 8.182 6.621 6.883) 12.576 4.386 ( 9.929 7.612 0.594) 12.525 4.438 ( 11.805 3.035 7.449) 14.285 4.796 ( 6.336 10.576 1.947) 12.482 4.866 ( 6.458 9.089 -11.167) 15.780 4.922 ( 1.963 11.620 -10.345) 15.681 5.044 ( 3.956 15.227 14.929) 21.688 5.158 ( -5.660 12.787 7.644) 15.936 5.290 ( -5.519 13.672 5.246) 15.650 5.345 ( 2.669 15.359 -1.995) 15.716 5.450 ( 6.265 12.673 -6.357) 15.500 5.559 ( -6.233 6.652 -12.153) 15.192 5.873 ( -3.024 5.938 -0.825) 6.715 5.880 ( -2.825 8.984 -5.068) 10.695 6.119 ( -5.225 11.622 7.925) 15.006 6.215 ( -3.421 4.589 11.425) 12.778 6.358 ( -6.439 10.564 -11.267) 16.733 6.442 ( -4.002 3.248 -8.889) 10.275 7.025 ( -0.448 2.467 5.150) 5.728 7.114 ( 1.378 1.151 -3.296) 3.754 7.513 ( -3.971 -1.222 6.629) 7.823 7.535 ( 0.889 -0.424 10.448) 10.495 7.641 ( 0.088 -2.531 -5.861) 6.385 7.690 ( 2.014 -0.462 -4.483) 4.936 8.098 ( -7.384 -5.939 5.721) 11.069 8.170 ( -6.895 -8.210 -2.206) 10.946 8.185 ( 6.422 -3.136 5.735) 9.163 8.315 ( 5.827 -2.594 -7.234) 9.644 8.648 ( 2.008 -4.838 14.247) 15.180 8.903 ( -0.150 -5.192 -11.750) 12.847 11.951 ( 4.081 2.475 10.609) 11.633 12.173 ( 1.652 0.618 -12.540) 12.664 13.158 ( -13.086 -7.246 1.849) 15.072 13.179 ( -12.119 -7.275 -0.206) 14.136 13.811 ( 4.038 -7.777 0.495) 8.777 13.823 ( 4.126 -7.523 -0.701) 8.609 14.165 ( 1.535 -4.764 0.951) 5.095 14.193 ( -1.529 -1.299 -2.024) 2.850 14.277 ( 2.048 0.364 0.841) 2.244 14.320 ( 3.751 -1.562 -3.234) 5.193 14.452 ( -4.541 -1.748 1.479) 5.086 14.485 ( -3.902 0.518 -1.951) 4.393 14.646 ( 3.893 2.295 0.214) 4.524 14.661 ( 4.631 3.154 -1.230) 5.736 14.788 ( 5.999 4.777 1.336) 7.784 14.802 ( 6.249 3.887 -0.108) 7.360 15.043 ( 2.294 -4.996 1.501) 5.699 15.061 ( 3.234 -3.628 -0.059) 4.860 15.215 ( 6.220 0.422 1.370) 6.383 15.230 ( 5.792 -0.526 0.081) 5.816 15.290 ( 6.350 -2.207 0.168) 6.725 15.304 ( 5.599 -1.122 -1.145) 5.823 15.772 ( -0.984 -2.586 2.060) 3.450 15.801 ( -0.238 -1.987 -1.219) 2.344 15.890 ( 2.018 -2.407 1.840) 3.641 15.917 ( 1.282 -1.766 -0.977) 2.391 15.946 ( 0.690 3.665 1.042) 3.872 15.970 ( 1.345 1.236 -1.475) 2.348 16.258 ( -3.146 5.841 2.201) 6.990 16.302 ( -4.245 5.751 -2.424) 7.548 16.497 ( -2.968 -0.003 0.482) 3.007 16.508 ( -2.123 -0.832 -0.641) 2.369 16.646 ( -2.997 -3.821 0.972) 4.953 16.667 ( -2.686 -4.285 -1.343) 5.233 16.864 ( -4.033 -7.595 2.299) 8.902 16.888 ( -4.418 -10.958 -0.395) 11.822 17.989 ( 0.684 4.896 2.099) 5.371 18.030 ( 0.937 5.826 -2.048) 6.246 18.135 ( -1.394 8.795 6.239) 10.873 18.291 ( -3.490 13.060 -10.736) 17.263 19.105 ( 0.739 -1.180 0.872) 1.643 19.121 ( 0.959 -1.197 -0.804) 1.732 19.348 ( -3.106 -2.328 1.734) 4.251 19.365 ( -5.360 -2.419 0.418) 5.895 ======================= Grid point 247 (79/108) ======================= q-point: ( 0.33 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 23.939 10.685 17.817) 31.697 2.014 ( 17.911 14.335 25.591) 34.368 2.330 ( 18.545 9.749 -16.902) 26.920 2.585 ( 13.090 12.416 -27.968) 33.283 2.810 ( -18.280 9.269 17.187) 26.749 2.946 ( -17.815 12.466 12.835) 25.249 3.198 ( -17.583 8.095 -16.001) 25.114 3.302 ( -14.965 14.499 -16.307) 26.459 3.455 ( 24.340 25.411 35.591) 50.049 4.138 ( 16.347 12.041 -25.995) 32.984 4.423 ( -3.857 7.340 13.142) 15.539 4.541 ( 5.061 8.159 11.515) 14.993 4.601 ( 1.630 1.596 1.046) 2.510 4.867 ( -7.650 3.832 -4.692) 9.758 4.931 ( 5.821 11.803 1.468) 13.243 4.987 ( 5.998 14.158 -2.376) 15.559 5.055 ( 0.432 15.465 -1.280) 15.524 5.089 ( -1.638 17.157 4.370) 17.781 5.180 ( -3.942 19.357 1.192) 19.790 5.360 ( -11.530 9.717 -18.896) 24.175 5.489 ( 10.295 10.024 4.948) 15.197 5.614 ( 10.513 6.452 -4.805) 13.238 5.854 ( 0.807 8.966 -2.574) 9.363 5.865 ( 2.036 6.126 -1.848) 6.715 5.993 ( -6.967 10.693 1.730) 12.879 6.117 ( -7.391 3.907 2.555) 8.742 6.219 ( -7.401 9.469 -5.220) 13.103 6.302 ( -10.754 4.339 -3.918) 12.240 7.067 ( 5.601 3.511 6.873) 9.536 7.166 ( 4.227 1.236 -2.788) 5.212 7.418 ( -5.896 0.756 5.188) 7.890 7.503 ( -7.065 -0.726 -0.706) 7.137 7.629 ( 2.524 0.310 7.560) 7.976 7.767 ( 3.363 -1.665 -5.195) 6.408 7.937 ( -7.631 -3.885 3.443) 9.230 8.023 ( -6.867 -4.555 -5.186) 9.737 8.326 ( 7.622 -4.338 7.754) 11.706 8.434 ( 4.427 -4.011 0.113) 5.975 8.696 ( 3.532 -6.573 4.618) 8.775 8.873 ( -3.256 -6.483 -10.123) 12.454 12.058 ( 6.909 2.120 7.501) 10.416 12.206 ( 1.143 1.126 -7.784) 7.948 12.920 ( -10.399 -6.354 1.021) 12.229 12.957 ( -10.478 -5.792 -2.485) 12.227 13.910 ( 5.990 -6.207 0.542) 8.643 13.923 ( 5.999 -5.929 -0.833) 8.476 14.131 ( -2.878 -0.599 -0.419) 2.969 14.138 ( -3.118 0.431 -1.112) 3.338 14.259 ( -4.065 -3.489 0.496) 5.380 14.278 ( -5.681 -3.433 -0.991) 6.712 14.406 ( -1.415 4.898 -0.334) 5.109 14.420 ( -2.653 5.558 -1.550) 6.350 14.787 ( 7.857 -4.804 1.104) 9.275 14.807 ( 7.294 -4.615 -0.748) 8.664 14.933 ( 9.254 4.385 0.978) 10.287 14.940 ( 8.040 3.959 0.303) 8.967 15.077 ( 1.008 -8.823 1.803) 9.062 15.108 ( 1.220 -7.554 -1.258) 7.754 15.347 ( 6.713 0.346 1.455) 6.878 15.362 ( 7.588 -1.520 -0.151) 7.740 15.398 ( 4.530 0.431 1.120) 4.687 15.427 ( 5.732 -3.785 -1.444) 7.019 15.747 ( -1.434 -2.479 1.476) 3.222 15.782 ( -1.782 -2.428 -1.996) 3.613 15.919 ( -0.062 -1.111 0.838) 1.393 15.930 ( 0.592 -1.350 -0.246) 1.495 15.980 ( 3.591 1.068 1.944) 4.221 16.020 ( 3.560 -2.083 -1.949) 4.562 16.182 ( -5.079 3.119 0.763) 6.009 16.201 ( -6.207 4.138 -1.344) 7.580 16.442 ( -1.232 -3.305 1.666) 3.901 16.471 ( -0.922 -2.896 -1.286) 3.300 16.579 ( -4.021 -1.861 0.721) 4.489 16.601 ( -4.388 -1.485 -1.651) 4.918 16.777 ( -4.443 -0.289 1.636) 4.743 16.789 ( -5.111 -2.609 0.347) 5.748 18.008 ( 1.367 5.240 2.558) 5.989 18.051 ( 0.750 6.168 -0.624) 6.245 18.110 ( -0.612 7.922 2.658) 8.379 18.213 ( -4.443 10.795 -7.179) 13.705 19.126 ( 1.527 -1.271 1.271) 2.358 19.146 ( 1.574 -1.316 -0.822) 2.210 19.265 ( -4.436 -1.827 2.400) 5.364 19.283 ( -3.710 -1.977 0.201) 4.209 ======================= Grid point 248 (80/108) ======================= q-point: (-0.50 0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -7.981 9.019 13.436) 18.043 2.302 ( 7.981 9.019 13.436) 18.043 2.446 ( -12.764 11.982 20.128) 26.676 2.446 ( 12.764 11.982 20.128) 26.676 2.869 ( -14.407 10.827 -15.611) 23.843 2.869 ( 14.407 10.827 -15.611) 23.843 2.956 ( -16.434 14.040 -20.989) 30.129 2.956 ( 16.434 14.040 -20.989) 30.129 4.032 ( -30.725 16.687 25.246) 43.126 4.032 ( 30.725 16.687 25.246) 43.126 4.465 ( -13.856 4.641 -4.531) 15.299 4.465 ( 13.856 4.641 -4.531) 15.299 4.688 ( -9.681 7.061 1.568) 12.085 4.688 ( 9.681 7.061 1.568) 12.085 5.025 ( -3.710 12.394 0.803) 12.963 5.025 ( 3.710 12.394 0.803) 12.963 5.091 ( -1.856 21.038 -1.798) 21.196 5.091 ( 1.856 21.038 -1.798) 21.196 5.176 ( -6.777 11.920 -14.356) 19.852 5.176 ( 6.777 11.920 -14.356) 19.852 5.690 ( -7.831 6.862 5.432) 11.744 5.690 ( 7.831 6.862 5.432) 11.744 5.880 ( -3.593 4.621 -3.235) 6.688 5.880 ( 3.593 4.621 -3.235) 6.688 5.985 ( -4.605 7.164 -8.065) 11.729 5.985 ( 4.605 7.164 -8.065) 11.729 6.134 ( -2.274 8.157 2.863) 8.939 6.134 ( 2.274 8.157 2.863) 8.939 7.204 ( -5.425 1.652 5.344) 7.792 7.204 ( 5.425 1.652 5.344) 7.792 7.353 ( -4.255 1.984 -2.526) 5.331 7.353 ( 4.255 1.984 -2.526) 5.331 7.719 ( -6.110 -0.869 8.628) 10.608 7.719 ( 6.110 -0.869 8.628) 10.608 7.923 ( -4.134 -3.427 -7.976) 9.615 7.923 ( 4.134 -3.427 -7.976) 9.615 8.438 ( -3.631 -4.678 8.171) 10.091 8.438 ( 3.631 -4.678 8.171) 10.091 8.787 ( -5.494 -6.925 -6.373) 10.898 8.787 ( 5.494 -6.925 -6.373) 10.898 12.178 ( -4.726 1.762 0.967) 5.135 12.178 ( 4.726 1.762 0.967) 5.135 12.832 ( -1.644 -5.837 -2.054) 6.402 12.832 ( 1.644 -5.837 -2.054) 6.402 13.998 ( -0.929 -4.758 -0.138) 4.849 13.998 ( 0.929 -4.758 -0.138) 4.849 14.092 ( -0.612 -1.132 -0.853) 1.544 14.092 ( 0.612 -1.132 -0.853) 1.544 14.207 ( -0.407 -3.393 0.031) 3.418 14.207 ( 0.407 -3.393 0.031) 3.418 14.392 ( -0.264 7.016 -1.024) 7.095 14.392 ( 0.264 7.016 -1.024) 7.095 14.867 ( -0.638 -3.531 0.623) 3.642 14.867 ( 0.638 -3.531 0.623) 3.642 15.055 ( -2.421 0.166 1.267) 2.738 15.055 ( 2.421 0.166 1.267) 2.738 15.085 ( -3.632 -7.575 -0.562) 8.419 15.085 ( 3.632 -7.575 -0.562) 8.419 15.427 ( -1.345 0.665 1.112) 1.868 15.427 ( 1.345 0.665 1.112) 1.868 15.469 ( -2.052 -4.816 0.216) 5.239 15.469 ( 2.052 -4.816 0.216) 5.239 15.742 ( -1.564 -1.928 -1.357) 2.829 15.742 ( 1.564 -1.928 -1.357) 2.829 15.927 ( -0.743 -0.352 0.074) 0.825 15.927 ( 0.743 -0.352 0.074) 0.825 16.073 ( -5.863 -0.816 1.115) 6.023 16.073 ( 5.863 -0.816 1.115) 6.023 16.092 ( -4.696 -0.364 -0.689) 4.760 16.092 ( 4.696 -0.364 -0.689) 4.760 16.475 ( -1.801 -5.416 -1.170) 5.826 16.475 ( 1.801 -5.416 -1.170) 5.826 16.521 ( -0.991 -0.789 0.325) 1.308 16.521 ( 0.991 -0.789 0.325) 1.308 16.733 ( -0.391 4.679 1.018) 4.805 16.733 ( 0.391 4.679 1.018) 4.805 18.038 ( -1.630 5.921 2.945) 6.811 18.038 ( 1.630 5.921 2.945) 6.811 18.139 ( -3.271 8.474 -3.872) 9.875 18.139 ( 3.271 8.474 -3.872) 9.875 19.157 ( -1.218 -1.332 0.942) 2.036 19.157 ( 1.218 -1.332 0.942) 2.036 19.228 ( -1.308 -1.790 0.501) 2.273 19.228 ( 1.308 -1.790 0.501) 2.273 ======================= Grid point 252 (81/108) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.000 28.066 20.025) 34.477 2.114 ( 0.000 24.170 -24.993) 34.768 2.171 ( 0.000 29.819 25.770) 39.412 2.706 ( 0.000 24.672 -30.097) 38.917 3.550 ( 0.000 14.579 14.137) 20.308 3.699 ( 0.000 37.941 18.653) 42.278 3.783 ( 0.000 16.664 9.288) 19.078 3.896 ( 0.000 23.044 3.240) 23.271 3.987 ( 0.000 11.623 -11.194) 16.137 4.182 ( 0.000 20.586 -0.881) 20.605 4.369 ( 0.000 7.461 13.031) 15.016 4.603 ( 0.000 18.085 5.412) 18.878 4.610 ( 0.000 25.069 -23.428) 34.312 4.940 ( 0.000 9.921 -18.715) 21.183 4.973 ( 0.000 11.723 9.831) 15.299 5.159 ( 0.000 14.665 -10.881) 18.261 5.415 ( 0.000 23.395 18.775) 29.997 5.481 ( 0.000 15.172 8.787) 17.533 5.680 ( 0.000 22.459 -7.283) 23.610 5.771 ( 0.000 10.933 -15.353) 18.848 5.845 ( 0.000 31.214 2.833) 31.342 5.868 ( 0.000 22.974 -0.902) 22.992 6.041 ( 0.000 7.206 0.675) 7.238 6.078 ( 0.000 12.884 -2.066) 13.049 6.446 ( 0.000 14.074 7.164) 15.792 6.534 ( 0.000 22.372 6.516) 23.301 6.584 ( 0.000 9.976 -6.190) 11.740 6.749 ( 0.000 18.909 -13.285) 23.109 7.077 ( 0.000 2.934 3.307) 4.421 7.149 ( 0.000 3.683 -2.990) 4.744 7.488 ( 0.000 -2.489 5.562) 6.094 7.540 ( 0.000 -2.646 -0.223) 2.655 7.584 ( 0.000 2.924 4.416) 5.297 7.668 ( 0.000 0.191 -2.678) 2.684 8.002 ( 0.000 -7.212 2.140) 7.523 8.030 ( 0.000 -8.074 -0.868) 8.121 8.077 ( 0.000 -2.600 7.558) 7.993 8.217 ( 0.000 -3.262 -7.049) 7.768 8.558 ( 0.000 -2.874 14.471) 14.754 8.796 ( 0.000 -5.751 -10.609) 12.068 11.986 ( 0.000 4.493 8.934) 10.001 12.170 ( 0.000 0.716 -10.169) 10.194 13.064 ( 0.000 -14.561 3.696) 15.022 13.115 ( 0.000 -11.485 -1.490) 11.581 13.601 ( 0.000 -8.065 1.037) 8.131 13.618 ( 0.000 -7.755 -0.830) 7.799 13.941 ( 0.000 -8.069 2.808) 8.544 14.003 ( 0.000 -9.207 -3.758) 9.945 14.323 ( 0.000 -0.804 0.841) 1.163 14.352 ( 0.000 -1.388 -1.867) 2.326 14.415 ( 0.000 -2.660 1.013) 2.847 14.425 ( 0.000 -2.456 0.079) 2.457 14.707 ( 0.000 3.470 -0.573) 3.517 14.719 ( 0.000 1.072 -1.794) 2.090 14.804 ( 0.000 0.801 0.604) 1.003 14.830 ( 0.000 0.812 -2.295) 2.434 15.008 ( 0.000 2.493 1.143) 2.743 15.022 ( 0.000 3.511 -0.110) 3.513 15.160 ( 0.000 -0.482 0.936) 1.053 15.167 ( 0.000 0.514 0.083) 0.520 15.192 ( 0.000 0.154 4.282) 4.284 15.264 ( 0.000 2.483 -3.248) 4.088 15.692 ( 0.000 -6.089 4.039) 7.307 15.742 ( 0.000 -4.260 -1.594) 4.548 15.860 ( 0.000 0.116 0.579) 0.590 15.878 ( 0.000 -1.038 -1.197) 1.584 15.988 ( 0.000 1.268 1.098) 1.678 16.005 ( 0.000 3.109 -0.822) 3.215 16.293 ( 0.000 -5.747 3.354) 6.654 16.356 ( 0.000 -7.100 -3.200) 7.788 16.561 ( 0.000 -1.019 0.885) 1.350 16.578 ( 0.000 1.880 -0.310) 1.905 16.619 ( 0.000 0.009 0.587) 0.587 16.638 ( 0.000 0.606 -1.246) 1.385 16.672 ( 0.000 -8.189 4.324) 9.261 16.758 ( 0.000 -0.754 -4.389) 4.453 18.090 ( 0.000 5.076 2.857) 5.825 18.144 ( 0.000 5.529 -2.639) 6.126 18.307 ( 0.000 5.570 8.671) 10.306 18.520 ( 0.000 5.037 -14.066) 14.941 19.062 ( 0.000 -2.455 0.815) 2.586 19.077 ( 0.000 -2.415 -0.666) 2.505 19.302 ( 0.000 -5.197 2.061) 5.591 19.332 ( 0.000 -6.179 -0.718) 6.220 ======================= Grid point 253 (82/108) ======================= q-point: ( 0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 18.600 25.109 18.181) 36.152 2.226 ( 8.063 28.998 11.983) 32.396 2.286 ( 14.849 21.950 -9.658) 28.206 2.767 ( 6.305 23.738 -29.025) 38.023 3.367 ( -15.475 14.907 13.007) 25.118 3.558 ( -15.193 14.627 -2.158) 21.199 3.729 ( -7.971 22.268 7.353) 24.768 3.883 ( 3.486 41.906 20.784) 46.907 3.947 ( -7.264 17.699 -9.030) 21.156 4.257 ( 7.486 17.778 -2.914) 19.508 4.467 ( 9.221 5.806 13.687) 17.495 4.607 ( 3.264 15.245 1.758) 15.690 4.707 ( 8.301 21.766 -14.405) 27.389 4.958 ( 0.981 8.988 -13.055) 15.881 5.099 ( 10.625 12.896 2.390) 16.879 5.234 ( 6.013 15.738 -8.143) 18.712 5.424 ( 0.113 19.204 19.759) 27.553 5.454 ( -0.682 19.262 7.592) 20.715 5.686 ( 0.105 22.554 -5.226) 23.152 5.728 ( -4.283 14.553 -16.757) 22.604 5.798 ( -2.509 23.632 4.005) 24.100 5.871 ( -0.405 25.893 -3.642) 26.151 6.047 ( 0.153 11.050 2.432) 11.315 6.087 ( 0.730 13.482 -1.776) 13.618 6.396 ( -9.806 14.939 0.691) 17.883 6.407 ( -4.596 14.292 5.634) 16.035 6.613 ( -1.618 14.735 -4.530) 15.500 6.643 ( -9.412 17.755 -9.720) 22.322 7.110 ( 2.726 6.173 1.171) 6.849 7.149 ( 0.917 2.444 -2.046) 3.316 7.487 ( -2.126 -0.743 3.354) 4.040 7.505 ( 0.454 -2.102 4.415) 4.911 7.628 ( 2.021 1.892 1.977) 3.402 7.693 ( 2.423 1.073 -2.626) 3.731 7.965 ( -4.755 -6.184 3.202) 8.432 7.999 ( -3.491 -7.658 -0.813) 8.456 8.114 ( 4.407 -3.443 6.115) 8.287 8.250 ( 4.092 -3.552 -7.387) 9.161 8.550 ( -0.773 -4.254 13.832) 14.492 8.778 ( -2.053 -6.713 -10.088) 12.290 12.021 ( 3.694 4.248 8.361) 10.080 12.191 ( 2.216 1.040 -9.291) 9.608 12.947 ( -10.658 -12.634 3.444) 16.884 13.002 ( -10.162 -10.227 -2.230) 14.589 13.657 ( 5.665 -7.287 1.055) 9.290 13.674 ( 5.641 -7.118 -0.804) 9.118 14.021 ( 5.666 -8.564 2.489) 10.566 14.078 ( 5.178 -8.959 -3.395) 10.891 14.296 ( -3.481 -2.461 1.905) 4.670 14.338 ( -3.657 -0.527 -2.121) 4.261 14.377 ( -1.226 -0.788 1.190) 1.881 14.401 ( 1.131 -4.053 -1.210) 4.378 14.721 ( 0.169 4.143 0.585) 4.188 14.754 ( 1.106 3.158 -2.810) 4.370 14.835 ( 3.821 -2.497 0.703) 4.618 14.856 ( 4.676 -1.033 -1.304) 4.963 14.994 ( -0.964 1.721 0.964) 2.195 15.005 ( -1.289 1.957 -0.085) 2.344 15.198 ( 3.836 -1.497 1.925) 4.545 15.213 ( 4.967 -2.368 -0.149) 5.505 15.260 ( 5.784 0.078 2.774) 6.415 15.317 ( 5.157 2.320 -2.808) 6.314 15.683 ( -1.101 -6.256 3.779) 7.391 15.736 ( -1.056 -5.007 -1.972) 5.484 15.864 ( 0.667 -0.238 0.713) 1.005 15.883 ( 0.656 -1.127 -1.173) 1.754 15.978 ( -1.561 -0.495 1.308) 2.096 16.002 ( -0.807 1.383 -1.251) 2.032 16.271 ( -1.465 -4.352 3.639) 5.859 16.335 ( -1.627 -5.324 -3.023) 6.335 16.493 ( -7.545 0.037 0.648) 7.573 16.500 ( -7.036 1.205 -0.009) 7.138 16.579 ( -1.638 -4.516 0.609) 4.842 16.598 ( -1.632 -2.767 -1.268) 3.454 16.757 ( 4.686 1.027 2.236) 5.293 16.804 ( 3.192 2.253 -2.629) 4.709 18.097 ( 0.832 5.096 2.977) 5.960 18.153 ( 1.023 5.487 -2.621) 6.167 18.291 ( -1.534 5.786 7.735) 9.781 18.485 ( -3.561 5.554 -12.864) 14.457 19.068 ( 0.613 -2.538 0.952) 2.779 19.084 ( 0.779 -2.535 -0.711) 2.746 19.276 ( -2.648 -4.888 1.441) 5.743 19.288 ( -4.005 -5.280 0.550) 6.650 ======================= Grid point 254 (83/108) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 22.195 21.782 14.608) 34.357 2.427 ( 13.979 26.338 18.650) 35.171 2.624 ( 17.541 19.260 -12.050) 28.702 2.902 ( 2.894 20.187 -13.959) 24.713 3.104 ( -5.913 18.201 1.181) 19.174 3.248 ( -16.823 17.116 1.322) 24.036 3.458 ( -16.829 17.229 -3.719) 24.370 3.673 ( -17.684 21.204 -18.834) 33.422 4.139 ( 18.246 40.061 25.051) 50.650 4.426 ( 9.832 14.704 -0.342) 17.691 4.588 ( 2.777 7.551 17.806) 19.539 4.712 ( 2.856 10.578 -2.046) 11.146 4.824 ( 2.762 19.965 -0.233) 20.156 4.962 ( -1.369 6.294 -7.994) 10.266 5.251 ( 3.049 22.407 -1.071) 22.638 5.302 ( 1.545 17.636 -1.675) 17.783 5.425 ( 6.489 15.756 5.591) 17.934 5.552 ( 6.130 24.444 8.032) 26.450 5.618 ( -2.766 17.516 -9.130) 19.946 5.711 ( -2.356 26.287 -7.112) 27.334 5.769 ( 1.518 18.377 0.842) 18.459 5.868 ( -0.135 19.333 -7.157) 20.616 6.047 ( 0.351 14.685 5.205) 15.584 6.094 ( -0.054 14.439 0.303) 14.442 6.219 ( -7.701 11.284 -3.992) 14.233 6.284 ( -7.696 13.660 -1.256) 15.729 6.464 ( -8.595 15.818 -4.766) 18.622 6.505 ( -8.714 14.844 -4.775) 17.863 7.174 ( 4.716 6.641 2.255) 8.452 7.206 ( 4.409 3.242 -1.057) 5.574 7.448 ( -2.246 2.529 2.049) 3.955 7.492 ( -3.178 0.126 -0.723) 3.261 7.650 ( 1.490 1.983 6.920) 7.351 7.755 ( 3.664 0.905 -3.050) 4.853 7.844 ( -6.867 -4.368 4.038) 9.085 7.920 ( -4.221 -4.872 -3.803) 7.485 8.223 ( 6.518 -5.136 7.019) 10.868 8.342 ( 3.726 -4.292 -3.221) 6.533 8.542 ( 0.880 -7.943 7.772) 11.147 8.716 ( -4.632 -8.440 -8.570) 12.889 12.119 ( 6.521 3.806 6.514) 9.972 12.242 ( 2.535 2.371 -6.040) 6.966 12.742 ( -9.474 -10.881 2.454) 14.634 12.801 ( -10.233 -9.325 -3.407) 14.257 13.792 ( 8.201 -5.293 0.965) 9.808 13.808 ( 8.047 -5.432 -0.725) 9.736 14.072 ( -0.591 -5.561 1.313) 5.744 14.108 ( -2.082 -4.438 -2.327) 5.427 14.194 ( -5.789 -3.128 1.953) 6.864 14.220 ( -6.451 -1.960 -0.553) 6.764 14.445 ( 5.689 -1.338 0.593) 5.875 14.479 ( 5.009 -0.978 -2.748) 5.797 14.710 ( -0.639 -1.229 1.501) 2.043 14.743 ( -1.455 -0.379 -2.016) 2.515 14.888 ( 0.784 -7.327 1.605) 7.542 14.930 ( -0.860 -8.535 -2.475) 8.928 15.040 ( 8.393 3.951 1.446) 9.388 15.056 ( 7.538 5.337 -0.143) 9.238 15.296 ( 5.984 -3.990 2.496) 7.613 15.317 ( 5.065 -4.137 -0.201) 6.543 15.351 ( 2.389 -2.495 2.128) 4.057 15.404 ( 2.240 0.258 -2.743) 3.551 15.652 ( -1.685 -7.248 2.410) 7.822 15.697 ( -2.773 -6.540 -2.192) 7.434 15.883 ( 0.718 -1.148 0.729) 1.538 15.892 ( -0.039 -0.512 0.032) 0.515 15.945 ( -0.143 -5.121 0.840) 5.191 15.972 ( -1.427 -2.759 -1.777) 3.579 16.248 ( -2.551 1.242 3.162) 4.249 16.298 ( -5.224 2.759 -1.907) 6.208 16.343 ( -4.507 -4.761 1.346) 6.693 16.380 ( -3.954 -4.534 -2.363) 6.463 16.551 ( -1.243 0.111 0.662) 1.412 16.566 ( -1.685 0.729 -0.820) 2.011 16.826 ( 2.659 4.772 1.250) 5.604 16.849 ( 1.401 5.178 -1.108) 5.477 18.121 ( 1.721 5.140 3.369) 6.382 18.175 ( 0.698 5.192 -0.704) 5.286 18.265 ( -0.451 6.435 3.183) 7.193 18.398 ( -5.369 6.401 -9.514) 12.662 19.086 ( 1.336 -2.765 1.298) 3.334 19.105 ( 1.364 -2.825 -0.683) 3.211 19.206 ( -3.841 -4.137 2.053) 6.007 19.221 ( -3.235 -4.185 0.171) 5.292 ======================= Grid point 255 (84/108) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -11.368 21.457 10.307) 26.379 2.615 ( 11.368 21.457 10.307) 26.379 2.774 ( -13.085 21.484 13.234) 28.424 2.774 ( 13.085 21.484 13.234) 28.424 3.134 ( -9.590 14.576 -8.193) 19.275 3.134 ( 9.590 14.576 -8.193) 19.275 3.335 ( -15.802 22.397 -22.035) 35.169 3.335 ( 15.802 22.397 -22.035) 35.169 4.486 ( -14.676 24.466 13.897) 31.734 4.486 ( 14.676 24.466 13.897) 31.734 4.610 ( -7.890 11.046 8.918) 16.242 4.610 ( 7.890 11.046 8.918) 16.242 4.891 ( -4.767 12.822 0.875) 13.707 4.891 ( 4.767 12.822 0.875) 13.707 5.300 ( -1.941 19.373 -4.623) 20.011 5.300 ( 1.941 19.373 -4.623) 20.011 5.583 ( -4.800 23.607 -0.170) 24.090 5.583 ( 4.800 23.607 -0.170) 24.090 5.623 ( -4.167 26.028 -3.634) 26.609 5.623 ( 4.167 26.028 -3.634) 26.609 5.835 ( -3.542 9.983 -5.663) 12.011 5.835 ( 3.542 9.983 -5.663) 12.011 6.077 ( -1.941 14.623 4.553) 15.438 6.077 ( 1.941 14.623 4.553) 15.438 6.171 ( -2.937 13.955 -2.749) 14.523 6.171 ( 2.937 13.955 -2.749) 14.523 6.381 ( -1.802 14.773 -5.532) 15.877 6.381 ( 1.802 14.773 -5.532) 15.877 7.257 ( -1.427 3.742 1.598) 4.312 7.257 ( 1.427 3.742 1.598) 4.312 7.419 ( -1.316 4.847 -1.049) 5.131 7.419 ( 1.316 4.847 -1.049) 5.131 7.713 ( -5.033 0.267 8.155) 9.586 7.713 ( 5.033 0.267 8.155) 9.586 7.845 ( -3.999 -3.313 -6.147) 8.047 7.845 ( 3.999 -3.313 -6.147) 8.047 8.331 ( -4.302 -4.923 6.713) 9.370 8.331 ( 4.302 -4.923 6.713) 9.370 8.614 ( -5.805 -9.592 -4.801) 12.197 8.614 ( 5.805 -9.592 -4.801) 12.197 12.234 ( -4.307 3.854 1.628) 6.005 12.234 ( 4.307 3.854 1.628) 6.005 12.666 ( -2.539 -10.287 -1.984) 10.779 12.666 ( 2.539 -10.287 -1.984) 10.779 13.916 ( -1.199 -3.393 0.124) 3.601 13.916 ( 1.199 -3.393 0.124) 3.601 14.033 ( -1.558 -4.903 -0.145) 5.147 14.033 ( 1.558 -4.903 -0.145) 5.147 14.150 ( -0.886 -2.217 0.367) 2.415 14.150 ( 0.886 -2.217 0.367) 2.415 14.519 ( -1.314 4.525 -1.204) 4.863 14.519 ( 1.314 4.525 -1.204) 4.863 14.715 ( -1.228 -9.554 0.184) 9.634 14.715 ( 1.228 -9.554 0.184) 9.634 14.902 ( -1.279 -6.796 -0.200) 6.919 14.902 ( 1.279 -6.796 -0.200) 6.919 15.166 ( -0.687 5.916 0.340) 5.965 15.166 ( 0.687 5.916 0.340) 5.965 15.347 ( -0.659 -6.460 1.852) 6.752 15.347 ( 0.659 -6.460 1.852) 6.752 15.389 ( -2.607 -3.734 -0.367) 4.569 15.389 ( 2.607 -3.734 -0.367) 4.569 15.650 ( -1.753 -7.991 -0.766) 8.217 15.650 ( 1.753 -7.991 -0.766) 8.217 15.890 ( -0.557 -0.977 0.096) 1.128 15.890 ( 0.557 -0.977 0.096) 1.128 15.969 ( -0.746 -6.050 -0.288) 6.103 15.969 ( 0.746 -6.050 -0.288) 6.103 16.194 ( -0.822 5.229 1.179) 5.423 16.194 ( 0.822 5.229 1.179) 5.423 16.344 ( -1.368 -6.377 -1.305) 6.651 16.344 ( 1.368 -6.377 -1.305) 6.651 16.544 ( -0.533 3.137 0.128) 3.184 16.544 ( 0.533 3.137 0.128) 3.184 16.856 ( -0.607 6.225 0.124) 6.255 16.856 ( 0.607 6.225 0.124) 6.255 18.158 ( -2.002 5.115 3.506) 6.516 18.158 ( 2.002 5.115 3.506) 6.516 18.304 ( -4.218 6.724 -5.009) 9.386 18.304 ( 4.218 6.724 -5.009) 9.386 19.114 ( -1.175 -2.996 1.021) 3.376 19.114 ( 1.175 -2.996 1.021) 3.376 19.173 ( -1.197 -3.750 0.383) 3.955 19.173 ( 1.197 -3.750 0.383) 3.955 ======================= Grid point 259 (85/108) ======================= q-point: ( 0.00 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 32.963 15.882) 36.590 2.648 ( 0.000 28.868 -18.955) 34.535 2.858 ( 0.000 37.151 18.186) 41.364 3.274 ( 0.000 31.295 -24.295) 39.618 3.919 ( 0.000 21.576 10.223) 23.875 4.089 ( 0.000 16.301 -6.993) 17.737 4.117 ( 0.000 17.146 4.390) 17.700 4.250 ( 0.000 14.740 -9.864) 17.736 4.568 ( 0.000 13.366 21.790) 25.562 4.618 ( 0.000 21.344 8.333) 22.912 4.787 ( 0.000 38.611 0.522) 38.615 4.982 ( 0.000 10.222 -15.638) 18.683 5.066 ( 0.000 32.891 11.373) 34.802 5.200 ( 0.000 13.145 11.412) 17.408 5.315 ( 0.000 21.152 -7.158) 22.330 5.453 ( 0.000 18.627 -11.396) 21.837 5.891 ( 0.000 26.579 -5.444) 27.130 5.904 ( 0.000 23.032 18.737) 29.690 6.012 ( 0.000 12.861 -10.608) 16.672 6.062 ( 0.000 4.684 6.495) 8.008 6.164 ( 0.000 23.917 -4.147) 24.273 6.169 ( 0.000 9.056 -2.860) 9.497 6.547 ( 0.000 33.898 2.692) 34.005 6.632 ( 0.000 31.616 -5.775) 32.139 6.721 ( 0.000 12.766 1.985) 12.919 6.802 ( 0.000 11.070 -4.842) 12.083 7.027 ( 0.000 23.571 2.155) 23.669 7.180 ( 0.000 22.759 -11.725) 25.602 7.183 ( 0.000 9.643 4.611) 10.689 7.265 ( 0.000 7.570 -4.481) 8.797 7.460 ( 0.000 0.933 5.407) 5.487 7.542 ( 0.000 3.446 -3.111) 4.642 7.670 ( 0.000 5.013 4.775) 6.923 7.711 ( 0.000 4.025 0.204) 4.030 7.902 ( 0.000 -0.767 -0.561) 0.950 7.916 ( 0.000 -1.536 -2.589) 3.010 8.069 ( 0.000 2.284 5.834) 6.265 8.144 ( 0.000 -4.093 -1.694) 4.430 8.550 ( 0.000 3.402 8.542) 9.194 8.693 ( 0.000 -3.388 -6.331) 7.181 12.080 ( 0.000 4.347 4.954) 6.591 12.180 ( 0.000 0.062 -5.445) 5.445 12.767 ( 0.000 -14.529 6.374) 15.865 12.871 ( 0.000 -12.406 -4.376) 13.155 13.445 ( 0.000 -7.535 1.534) 7.690 13.469 ( 0.000 -7.051 -0.973) 7.118 13.772 ( 0.000 -8.489 1.364) 8.598 13.807 ( 0.000 -9.816 -2.445) 10.116 14.181 ( 0.000 -9.797 0.444) 9.807 14.193 ( 0.000 -8.998 -1.060) 9.060 14.470 ( 0.000 3.923 2.356) 4.576 14.497 ( 0.000 5.498 -0.602) 5.531 14.746 ( 0.000 1.644 0.396) 1.691 14.768 ( 0.000 2.294 -1.770) 2.898 14.773 ( 0.000 -1.869 0.238) 1.884 14.797 ( 0.000 -2.254 -2.627) 3.462 15.047 ( 0.000 -0.143 1.601) 1.607 15.085 ( 0.000 0.868 -2.220) 2.384 15.169 ( 0.000 1.618 1.826) 2.439 15.193 ( 0.000 2.544 -0.734) 2.648 15.229 ( 0.000 3.170 6.097) 6.872 15.333 ( 0.000 3.881 -4.786) 6.161 15.545 ( 0.000 -8.073 3.918) 8.973 15.610 ( 0.000 -8.816 -2.825) 9.258 15.854 ( 0.000 -1.607 0.164) 1.616 15.862 ( 0.000 -0.291 -0.627) 0.692 16.012 ( 0.000 1.255 2.186) 2.521 16.057 ( 0.000 2.029 -2.746) 3.414 16.174 ( 0.000 -5.580 0.394) 5.594 16.189 ( 0.000 -8.089 -1.148) 8.170 16.402 ( 0.000 -9.632 2.103) 9.859 16.423 ( 0.000 -8.902 -0.285) 8.906 16.644 ( 0.000 0.656 1.677) 1.800 16.665 ( 0.000 0.757 -1.129) 1.360 16.740 ( 0.000 5.392 3.736) 6.560 16.832 ( 0.000 4.252 -5.154) 6.682 18.162 ( 0.000 1.744 3.156) 3.606 18.217 ( 0.000 1.404 -2.284) 2.681 18.364 ( 0.000 0.175 7.582) 7.584 18.546 ( 0.000 -1.897 -11.471) 11.627 18.998 ( 0.000 -3.934 1.018) 4.064 19.014 ( 0.000 -3.865 -0.579) 3.909 19.172 ( 0.000 -7.678 1.095) 7.755 19.181 ( 0.000 -8.636 0.437) 8.647 ======================= Grid point 260 (86/108) ======================= q-point: ( 0.17 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 14.380 30.907 15.131) 37.296 2.776 ( 12.912 27.388 -18.145) 35.300 2.904 ( 4.956 36.286 18.295) 40.938 3.318 ( 4.558 30.608 -23.578) 38.905 3.739 ( -14.098 21.609 8.367) 27.124 3.893 ( -13.026 19.041 -6.751) 24.038 4.112 ( -8.926 18.231 7.487) 21.635 4.308 ( -1.808 18.454 -11.314) 21.721 4.602 ( 3.483 16.656 7.276) 18.507 4.634 ( 5.404 11.439 15.665) 20.136 4.757 ( -0.358 29.777 -0.379) 29.782 4.981 ( 0.849 15.444 -7.043) 16.995 5.123 ( 5.145 32.692 10.092) 34.599 5.287 ( 5.116 15.911 7.371) 18.266 5.417 ( 8.948 23.701 -6.083) 26.054 5.494 ( 6.466 11.071 -7.293) 14.750 5.870 ( -2.546 23.549 7.819) 24.943 5.901 ( -0.019 23.414 4.507) 23.844 6.001 ( -0.819 14.232 -6.819) 15.802 6.076 ( 1.319 8.408 5.055) 9.899 6.138 ( 1.000 18.937 -2.930) 19.188 6.232 ( 2.873 15.983 -4.410) 16.828 6.521 ( -2.275 29.230 1.655) 29.365 6.591 ( -4.291 25.232 -5.856) 26.256 6.698 ( -2.945 20.521 1.004) 20.756 6.759 ( -4.234 19.992 -2.539) 20.593 6.994 ( -5.909 22.717 -0.629) 23.481 7.062 ( -8.222 22.084 -6.028) 24.323 7.203 ( 0.861 4.269 1.177) 4.511 7.280 ( 2.125 8.528 -6.519) 10.943 7.487 ( 2.274 2.781 3.507) 5.020 7.529 ( 0.026 4.547 -0.648) 4.593 7.700 ( 1.594 4.171 3.541) 5.699 7.737 ( 1.977 3.358 -0.161) 3.900 7.883 ( -1.482 -1.820 0.236) 2.359 7.910 ( -1.553 1.608 -2.371) 3.259 8.084 ( 2.265 1.623 6.203) 6.800 8.175 ( 3.531 -3.920 -2.787) 5.967 8.520 ( -3.188 2.740 8.571) 9.546 8.660 ( -3.498 -3.881 -6.019) 7.970 12.106 ( 2.893 3.652 4.950) 6.798 12.205 ( 2.773 -0.067 -5.322) 6.002 12.687 ( -7.680 -12.439 5.892) 15.762 12.786 ( -8.046 -10.711 -4.360) 14.088 13.517 ( 7.327 -6.764 1.365) 10.065 13.537 ( 6.866 -6.571 -0.695) 9.529 13.837 ( 5.507 -9.568 1.355) 11.122 13.874 ( 5.986 -10.683 -2.435) 12.486 14.152 ( -2.342 -8.967 2.320) 9.554 14.199 ( -0.249 -8.585 -2.227) 8.873 14.431 ( -2.962 3.679 1.879) 5.083 14.459 ( -3.144 4.780 -0.954) 5.800 14.736 ( -1.965 -3.113 0.600) 3.730 14.770 ( -0.835 -2.856 -2.715) 4.028 14.804 ( 2.160 1.720 0.031) 2.761 14.820 ( 2.677 0.608 -1.627) 3.191 15.034 ( -0.807 0.623 2.034) 2.275 15.073 ( -0.550 1.856 -1.835) 2.667 15.172 ( 0.956 -0.832 1.440) 1.919 15.183 ( 0.999 0.729 0.694) 1.418 15.282 ( 3.927 2.004 4.708) 6.450 15.378 ( 4.055 3.197 -4.836) 7.075 15.535 ( -1.378 -7.881 3.357) 8.676 15.593 ( -1.919 -8.803 -2.715) 9.410 15.854 ( -0.075 -2.283 0.179) 2.292 15.861 ( -0.162 -0.719 -0.484) 0.881 15.963 ( -5.074 -0.614 2.040) 5.503 16.006 ( -4.936 -0.621 -2.586) 5.606 16.173 ( 0.866 -4.718 0.930) 4.886 16.193 ( 0.688 -7.229 -1.073) 7.341 16.390 ( -2.035 -6.070 2.361) 6.823 16.422 ( -1.310 -5.893 -0.882) 6.101 16.599 ( -2.048 3.033 1.855) 4.103 16.635 ( -1.608 2.590 -1.971) 3.630 16.817 ( 5.484 2.985 2.558) 6.747 16.877 ( 3.681 3.233 -3.562) 6.057 18.169 ( 0.734 1.645 3.238) 3.705 18.224 ( 0.683 1.182 -1.999) 2.421 18.355 ( -0.817 0.565 6.544) 6.618 18.523 ( -2.478 -1.408 -10.765) 11.136 19.002 ( 0.386 -4.062 1.111) 4.229 19.018 ( 0.479 -4.025 -0.586) 4.096 19.151 ( -2.371 -7.615 1.161) 8.060 19.157 ( -2.068 -7.542 0.568) 7.841 ======================= Grid point 261 (87/108) ======================= q-point: ( 0.33 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 20.374 27.674 12.992) 36.739 3.042 ( 10.476 33.931 10.862) 37.135 3.079 ( 17.080 25.218 -7.667) 31.408 3.401 ( -2.635 28.604 -4.603) 29.091 3.512 ( -3.212 22.553 -7.416) 23.957 3.637 ( -14.298 21.882 -5.987) 26.816 3.843 ( -16.003 20.183 5.667) 26.374 4.117 ( -15.993 22.231 -18.760) 33.196 4.699 ( 5.472 13.156 8.548) 16.616 4.742 ( 3.868 9.139 17.479) 20.100 4.833 ( 7.159 20.239 -4.158) 21.867 4.997 ( -0.223 13.186 -6.508) 14.707 5.226 ( 5.078 29.687 9.835) 31.684 5.312 ( -0.387 24.614 4.127) 24.961 5.644 ( 14.057 12.523 0.838) 18.845 5.676 ( 10.755 15.570 -2.085) 19.038 5.827 ( -1.166 25.777 5.357) 26.353 5.858 ( -3.312 16.074 -0.096) 16.412 6.023 ( 0.548 16.346 9.077) 18.706 6.103 ( 1.284 18.103 -1.929) 18.251 6.163 ( -0.322 15.110 -1.473) 15.185 6.257 ( -0.089 19.079 -4.149) 19.525 6.484 ( -1.453 20.635 -0.676) 20.697 6.498 ( -2.502 25.591 -3.794) 25.991 6.630 ( -3.408 29.412 -1.905) 29.670 6.672 ( -4.626 26.492 -3.386) 27.105 6.827 ( -9.800 19.995 -3.226) 22.500 6.861 ( -11.995 22.607 -7.870) 26.775 7.274 ( 5.316 4.991 1.144) 7.381 7.336 ( 3.215 6.747 -5.379) 9.209 7.522 ( 1.289 5.437 1.892) 5.899 7.547 ( 1.234 5.118 -0.325) 5.275 7.708 ( -0.300 3.843 3.307) 5.079 7.749 ( -1.224 -0.099 -0.571) 1.354 7.857 ( -1.164 -0.807 -0.313) 1.450 7.865 ( -2.272 6.189 -0.739) 6.634 8.167 ( 6.284 0.977 6.863) 9.356 8.276 ( 6.906 -3.210 -4.347) 8.769 8.435 ( -5.693 0.387 8.584) 10.308 8.566 ( -6.384 -5.061 -5.273) 9.704 12.189 ( 5.964 2.046 4.933) 8.006 12.284 ( 5.540 0.358 -4.858) 7.377 12.518 ( -9.504 -9.682 5.099) 14.494 12.611 ( -9.895 -8.373 -4.486) 13.716 13.692 ( 10.497 -4.942 0.815) 11.631 13.699 ( 9.733 -5.562 0.061) 11.210 13.921 ( 2.298 -9.082 1.215) 9.446 13.960 ( 1.196 -9.644 -2.816) 10.118 14.106 ( -2.243 -5.891 3.969) 7.449 14.159 ( -4.163 -4.602 -1.311) 6.343 14.418 ( 2.129 -0.613 0.241) 2.228 14.437 ( 2.916 -1.260 -1.519) 3.521 14.659 ( -6.638 -5.284 1.321) 8.587 14.701 ( -6.381 -5.338 -3.005) 8.845 14.828 ( 0.388 0.483 -0.173) 0.643 14.844 ( -0.230 1.180 -1.807) 2.171 15.079 ( 6.421 -0.034 3.089) 7.126 15.118 ( 5.480 -0.078 -1.069) 5.584 15.218 ( 3.183 -4.637 1.251) 5.762 15.236 ( 4.235 -1.172 0.077) 4.395 15.322 ( -1.029 -0.313 4.711) 4.833 15.427 ( -0.732 1.278 -5.463) 5.658 15.492 ( -2.949 -7.622 2.216) 8.467 15.537 ( -3.792 -8.210 -2.453) 9.370 15.835 ( -1.112 -4.818 2.302) 5.454 15.857 ( -0.123 -2.847 -0.371) 2.873 15.898 ( -0.797 0.445 0.175) 0.929 15.921 ( -2.937 -1.080 -2.007) 3.717 16.202 ( 1.526 -3.962 0.689) 4.301 16.207 ( 0.726 -6.053 0.198) 6.100 16.318 ( -4.802 -0.955 1.776) 5.208 16.354 ( -5.066 -0.730 -1.738) 5.406 16.600 ( 1.466 3.628 1.015) 4.042 16.625 ( 0.234 3.534 -1.565) 3.872 16.907 ( 3.827 2.620 1.254) 4.805 16.937 ( 2.225 2.857 -1.768) 4.030 18.190 ( 1.453 1.310 3.461) 3.975 18.235 ( 0.101 0.553 0.282) 0.629 18.346 ( 0.450 1.465 2.002) 2.521 18.459 ( -4.079 -0.158 -8.429) 9.366 19.014 ( 0.923 -4.438 1.367) 4.735 19.032 ( 0.886 -4.480 -0.457) 4.590 19.098 ( -2.675 -6.472 1.714) 7.210 19.115 ( -2.371 -6.397 -0.094) 6.823 ======================= Grid point 262 (88/108) ======================= q-point: (-0.50 0.19 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -13.875 28.466 9.351) 33.019 3.128 ( 13.875 28.466 9.351) 33.019 3.303 ( -14.775 30.124 10.572) 35.178 3.303 ( 14.775 30.124 10.572) 35.178 3.453 ( -11.578 17.623 -7.695) 22.447 3.453 ( 11.578 17.623 -7.695) 22.447 3.807 ( -14.260 23.976 -20.341) 34.525 3.807 ( 14.260 23.976 -20.341) 34.525 4.767 ( -1.306 10.501 13.270) 16.972 4.767 ( 1.306 10.501 13.270) 16.972 4.952 ( -4.663 13.563 -6.312) 15.670 4.952 ( 4.663 13.563 -6.312) 15.670 5.293 ( -2.040 27.606 7.695) 28.731 5.293 ( 2.040 27.606 7.695) 28.731 5.781 ( -2.818 14.553 3.433) 15.215 5.781 ( 2.818 14.553 3.433) 15.215 5.898 ( -7.172 22.628 1.323) 23.774 5.898 ( 7.172 22.628 1.323) 23.774 5.979 ( -7.478 13.533 1.690) 15.554 5.979 ( 7.478 13.533 1.690) 15.554 6.223 ( -4.269 18.879 1.718) 19.432 6.223 ( 4.269 18.879 1.718) 19.432 6.515 ( -2.233 27.235 -0.774) 27.337 6.515 ( 2.233 27.235 -0.774) 27.337 6.585 ( -3.377 23.551 -9.774) 25.721 6.585 ( 3.377 23.551 -9.774) 25.721 6.718 ( -0.893 23.571 -4.597) 24.032 6.718 ( 0.893 23.571 -4.597) 24.032 7.354 ( -2.191 5.687 -1.610) 6.303 7.354 ( 2.191 5.687 -1.610) 6.303 7.546 ( -1.375 6.665 -0.383) 6.816 7.546 ( 1.375 6.665 -0.383) 6.816 7.714 ( -1.418 1.255 2.386) 3.046 7.714 ( 1.418 1.255 2.386) 3.046 7.845 ( -0.274 3.182 -1.250) 3.430 7.845 ( 0.274 3.182 -1.250) 3.430 8.298 ( -6.962 2.838 6.871) 10.185 8.298 ( 6.962 2.838 6.871) 10.185 8.432 ( -7.490 -7.004 -3.762) 10.923 8.432 ( 7.490 -7.004 -3.762) 10.923 12.319 ( -6.841 2.826 4.007) 8.416 12.319 ( 6.841 2.826 4.007) 8.416 12.443 ( -6.772 -9.948 -3.745) 12.603 12.443 ( 6.772 -9.948 -3.745) 12.603 13.845 ( -0.806 -4.351 0.482) 4.451 13.845 ( 0.806 -4.351 0.482) 4.451 13.910 ( -1.815 -7.122 -0.006) 7.350 13.910 ( 1.815 -7.122 -0.006) 7.350 14.093 ( -1.568 -3.719 0.698) 4.096 14.093 ( 1.568 -3.719 0.698) 4.096 14.516 ( -7.542 -4.884 1.006) 9.042 14.516 ( 7.542 -4.884 1.006) 9.042 14.555 ( -8.120 -5.876 -2.610) 10.358 14.555 ( 8.120 -5.876 -2.610) 10.358 14.835 ( -0.496 0.135 -0.743) 0.903 14.835 ( 0.496 0.135 -0.743) 0.903 15.221 ( -2.508 -4.692 4.209) 6.784 15.221 ( 2.508 -4.692 4.209) 6.784 15.231 ( -1.629 -2.392 -0.626) 2.961 15.231 ( 1.629 -2.392 -0.626) 2.961 15.340 ( -6.255 0.999 -1.237) 6.454 15.340 ( 6.255 0.999 -1.237) 6.454 15.474 ( -1.984 -8.227 -1.428) 8.583 15.474 ( 1.984 -8.227 -1.428) 8.583 15.851 ( -1.223 -4.402 1.027) 4.683 15.851 ( 1.223 -4.402 1.027) 4.683 15.896 ( -0.348 0.106 -0.844) 0.919 15.896 ( 0.348 0.106 -0.844) 0.919 16.215 ( -0.795 -3.278 1.830) 3.838 16.215 ( 0.795 -3.278 1.830) 3.838 16.278 ( -1.945 0.061 -1.636) 2.542 16.278 ( 1.945 0.061 -1.636) 2.542 16.624 ( -0.687 4.045 -0.229) 4.109 16.624 ( 0.687 4.045 -0.229) 4.109 16.951 ( -0.789 2.816 -0.219) 2.933 16.951 ( 0.789 2.816 -0.219) 2.933 18.220 ( -1.547 0.728 3.241) 3.664 18.220 ( 1.547 0.728 3.241) 3.664 18.385 ( -3.471 1.169 -4.451) 5.764 18.385 ( 3.471 1.169 -4.451) 5.764 19.035 ( -1.045 -4.914 1.249) 5.177 19.035 ( 1.045 -4.914 1.249) 5.177 19.078 ( -1.067 -5.680 0.015) 5.779 19.078 ( 1.067 -5.680 0.015) 5.779 ======================= Grid point 266 (89/108) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 0.000 32.464 12.926) 34.942 3.245 ( 0.000 29.769 -14.952) 33.313 3.626 ( 0.000 38.513 12.738) 40.565 3.932 ( 0.000 33.355 -18.300) 38.045 4.380 ( 0.000 22.946 5.388) 23.571 4.409 ( 0.000 14.379 0.164) 14.380 4.471 ( 0.000 17.512 0.114) 17.512 4.574 ( 0.000 17.372 -8.322) 19.262 4.871 ( 0.000 16.420 18.723) 24.903 5.002 ( 0.000 16.205 11.514) 19.879 5.178 ( 0.000 11.620 -13.241) 17.617 5.234 ( 0.000 14.685 -11.742) 18.802 5.441 ( 0.000 15.275 4.824) 16.019 5.569 ( 0.000 10.390 -6.602) 12.310 5.867 ( 0.000 15.278 7.791) 17.150 5.946 ( 0.000 29.091 2.022) 29.161 6.162 ( 0.000 6.266 9.073) 11.027 6.165 ( 0.000 8.066 5.943) 10.019 6.327 ( 0.000 26.739 6.866) 27.606 6.506 ( 0.000 19.550 3.246) 19.818 6.544 ( 0.000 33.524 -12.246) 35.691 6.600 ( 0.000 17.892 2.524) 18.069 6.851 ( 0.000 4.194 -6.490) 7.728 6.896 ( 0.000 8.471 -8.797) 12.213 7.183 ( 0.000 14.095 2.927) 14.396 7.287 ( 0.000 22.580 -6.029) 23.371 7.343 ( 0.000 8.899 3.502) 9.563 7.401 ( 0.000 22.167 -1.932) 22.251 7.491 ( 0.000 9.699 0.425) 9.708 7.494 ( 0.000 7.923 1.702) 8.103 7.642 ( 0.000 6.290 2.732) 6.858 7.732 ( 0.000 21.265 -6.103) 22.124 7.765 ( 0.000 9.311 3.820) 10.064 7.855 ( 0.000 14.836 -3.842) 15.326 8.070 ( 0.000 17.078 -0.617) 17.090 8.072 ( 0.000 9.197 -0.400) 9.206 8.127 ( 0.000 13.501 -0.093) 13.501 8.150 ( 0.000 5.219 -1.618) 5.464 8.732 ( 0.000 14.905 2.980) 15.200 8.747 ( 0.000 11.125 1.392) 11.211 12.133 ( 0.000 -0.013 0.898) 0.898 12.160 ( 0.000 -2.360 -1.764) 2.946 12.504 ( 0.000 -10.777 7.906) 13.365 12.629 ( 0.000 -11.471 -5.109) 12.557 13.300 ( 0.000 -6.617 2.479) 7.066 13.342 ( 0.000 -5.364 -1.849) 5.674 13.616 ( 0.000 -6.554 0.209) 6.557 13.633 ( 0.000 -6.915 -1.580) 7.094 14.012 ( 0.000 -6.608 0.018) 6.608 14.021 ( 0.000 -7.330 -1.204) 7.428 14.523 ( 0.000 0.159 4.524) 4.526 14.580 ( 0.000 1.199 -1.434) 1.869 14.729 ( 0.000 -1.826 0.477) 1.887 14.759 ( 0.000 -1.707 -2.565) 3.081 14.797 ( 0.000 1.076 0.470) 1.175 14.802 ( 0.000 2.984 0.077) 2.985 15.031 ( 0.000 -0.730 3.019) 3.106 15.085 ( 0.000 0.188 -2.610) 2.617 15.190 ( 0.000 0.069 2.935) 2.935 15.237 ( 0.000 1.066 -2.115) 2.368 15.289 ( 0.000 0.970 3.245) 3.386 15.367 ( 0.000 -4.636 -4.426) 6.410 15.417 ( 0.000 -2.314 1.956) 3.030 15.460 ( 0.000 -0.781 -2.621) 2.735 15.802 ( 0.000 -3.531 1.488) 3.832 15.836 ( 0.000 -2.345 -1.862) 2.995 16.032 ( 0.000 -7.754 1.328) 7.867 16.035 ( 0.000 -0.661 2.043) 2.147 16.063 ( 0.000 -4.231 -1.488) 4.485 16.086 ( 0.000 0.534 -2.885) 2.934 16.259 ( 0.000 -4.305 0.473) 4.331 16.266 ( 0.000 -6.155 -0.234) 6.160 16.637 ( 0.000 -1.687 1.034) 1.979 16.651 ( 0.000 -2.293 -0.651) 2.384 16.806 ( 0.000 1.015 3.278) 3.431 16.874 ( 0.000 -0.285 -3.672) 3.683 18.150 ( 0.000 -3.060 2.807) 4.153 18.191 ( 0.000 -4.045 -0.875) 4.138 18.320 ( 0.000 -4.364 5.222) 6.805 18.457 ( 0.000 -6.845 -8.545) 10.948 18.905 ( 0.000 -5.253 1.240) 5.397 18.920 ( 0.000 -5.514 -0.142) 5.516 18.996 ( 0.000 -9.444 0.624) 9.465 19.000 ( 0.000 -9.275 0.137) 9.276 ======================= Grid point 267 (90/108) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 10.712 30.606 12.547) 34.769 3.341 ( 9.857 28.069 -14.419) 33.059 3.658 ( 3.498 37.944 12.739) 40.178 3.964 ( 3.444 32.884 -17.990) 37.641 4.200 ( -12.164 22.908 4.396) 26.307 4.303 ( -9.816 20.678 -6.760) 23.867 4.464 ( -5.638 16.996 9.673) 20.353 4.643 ( 0.940 13.961 -8.272) 16.255 4.893 ( 2.394 15.289 16.995) 22.985 4.967 ( -0.732 18.879 5.435) 19.659 5.148 ( -3.945 15.936 -10.589) 19.535 5.183 ( -0.242 9.319 -10.080) 13.730 5.553 ( 9.363 13.233 5.577) 17.143 5.671 ( 6.690 9.243 -5.497) 12.665 5.845 ( -0.792 15.154 8.163) 17.232 5.940 ( -0.521 23.103 -0.557) 23.116 6.153 ( 0.014 11.534 9.109) 14.697 6.181 ( 0.625 7.326 5.693) 9.299 6.365 ( 4.023 26.770 7.199) 28.012 6.493 ( -2.035 27.697 1.741) 27.826 6.570 ( 3.316 22.019 -2.707) 22.431 6.608 ( -0.141 16.631 1.431) 16.693 6.842 ( -1.706 7.795 -9.515) 12.418 6.874 ( 0.059 13.545 -9.424) 16.501 7.238 ( 1.323 11.914 2.257) 12.198 7.297 ( -0.820 11.547 2.328) 11.808 7.326 ( 2.077 21.708 -4.966) 22.365 7.351 ( -4.749 16.987 -2.619) 17.831 7.429 ( -2.947 18.668 3.912) 19.299 7.508 ( -0.744 8.795 -3.687) 9.566 7.657 ( 1.212 9.201 1.125) 9.349 7.702 ( -2.434 19.221 -3.019) 19.608 7.780 ( 1.245 8.651 3.480) 9.407 7.873 ( 1.374 13.013 -3.842) 13.637 8.025 ( -4.116 14.970 -0.733) 15.543 8.054 ( -1.380 9.660 -3.545) 10.383 8.166 ( 3.873 8.538 2.068) 9.601 8.180 ( 2.524 8.596 -0.278) 8.963 8.700 ( -3.258 15.021 3.142) 15.688 8.716 ( -3.199 12.142 1.374) 12.631 12.131 ( -0.086 -2.710 1.305) 3.009 12.161 ( 0.106 -4.464 -1.681) 4.772 12.486 ( -1.703 -6.768 6.753) 9.712 12.596 ( -3.234 -7.719 -4.669) 9.584 13.384 ( 8.452 -6.342 2.093) 10.772 13.415 ( 7.372 -5.296 -1.171) 9.153 13.654 ( 3.632 -7.992 0.145) 8.780 13.676 ( 4.226 -8.433 -1.952) 9.633 13.989 ( -1.183 -6.472 2.449) 7.020 14.041 ( 1.189 -6.649 -2.604) 7.240 14.472 ( -4.877 -0.716 3.793) 6.220 14.528 ( -5.191 0.641 -1.806) 5.533 14.684 ( -4.531 -2.260 0.380) 5.078 14.710 ( -4.622 -2.723 -2.343) 5.854 14.827 ( 2.459 0.233 0.467) 2.514 14.836 ( 2.169 1.459 -0.494) 2.660 15.028 ( -0.085 -0.337 3.531) 3.548 15.090 ( 0.122 0.786 -2.772) 2.884 15.168 ( -1.466 -0.134 3.185) 3.508 15.212 ( -0.633 1.335 -1.178) 1.889 15.302 ( -0.046 -2.499 2.199) 3.330 15.353 ( -1.283 -6.755 -2.417) 7.289 15.438 ( 1.388 -1.114 1.015) 2.048 15.483 ( 1.965 1.618 -3.439) 4.278 15.785 ( -1.970 -4.111 1.911) 4.943 15.824 ( -1.399 -2.902 -1.990) 3.787 15.963 ( -5.386 0.493 1.376) 5.581 15.989 ( -5.280 -1.645 -1.366) 5.697 16.057 ( 1.440 -5.890 0.456) 6.081 16.075 ( 1.403 -5.116 -1.314) 5.466 16.300 ( 2.223 -3.068 1.521) 4.083 16.327 ( 2.903 -3.364 -1.241) 4.614 16.631 ( 0.037 -0.087 1.005) 1.009 16.650 ( 0.313 -1.191 -1.085) 1.642 16.846 ( 3.729 -0.314 2.704) 4.617 16.902 ( 2.571 -0.999 -3.010) 4.083 18.154 ( 0.443 -3.215 2.851) 4.319 18.193 ( 0.190 -4.244 -0.461) 4.273 18.318 ( -0.143 -4.132 4.207) 5.899 18.441 ( -1.635 -6.533 -7.981) 10.443 18.906 ( 0.080 -5.405 1.301) 5.560 18.922 ( 0.134 -5.661 -0.110) 5.664 18.981 ( -1.387 -8.879 0.884) 9.030 18.991 ( -0.952 -8.872 -0.142) 8.924 ======================= Grid point 268 (91/108) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 17.010 26.394 11.295) 33.370 3.582 ( 14.885 24.010 -12.791) 31.010 3.756 ( 6.845 35.737 13.126) 38.682 3.960 ( -13.288 25.771 6.103) 29.630 4.051 ( 3.082 30.073 -14.034) 33.329 4.119 ( -8.203 25.577 -11.565) 29.244 4.252 ( -13.274 20.753 11.390) 27.141 4.529 ( -12.012 17.995 -15.656) 26.706 4.947 ( 3.168 12.660 13.188) 18.553 4.992 ( 1.700 15.948 7.206) 17.582 5.134 ( 2.252 12.822 -7.213) 14.883 5.199 ( 0.486 9.871 -8.185) 12.833 5.708 ( 6.437 13.929 5.070) 16.160 5.746 ( 3.153 12.396 3.554) 13.275 5.880 ( 2.471 8.250 -0.015) 8.612 5.926 ( -1.429 12.137 -1.875) 12.363 6.167 ( 1.735 14.107 8.676) 16.652 6.193 ( 1.020 12.035 4.845) 13.014 6.444 ( 1.545 14.534 6.537) 16.011 6.487 ( 4.486 33.915 6.185) 34.765 6.573 ( -3.602 12.723 3.850) 13.772 6.620 ( 0.937 23.286 0.610) 23.313 6.808 ( -0.528 15.512 -7.155) 17.091 6.907 ( 1.348 14.945 -12.395) 19.463 7.170 ( -2.830 21.267 0.384) 21.458 7.227 ( -5.170 15.456 -2.854) 16.546 7.289 ( -4.704 17.884 0.667) 18.504 7.358 ( -1.853 21.369 -4.756) 21.970 7.455 ( 4.120 19.694 0.603) 20.130 7.508 ( 3.730 14.738 -5.476) 16.159 7.652 ( -1.760 9.437 0.884) 9.640 7.680 ( -0.524 13.806 -2.180) 13.987 7.806 ( 1.792 8.784 3.975) 9.807 7.901 ( 1.957 10.248 -4.145) 11.226 7.937 ( -4.918 12.683 1.235) 13.659 8.017 ( -2.899 8.749 -6.724) 11.409 8.247 ( 4.427 6.147 2.318) 7.922 8.251 ( 4.699 5.404 2.132) 7.472 8.622 ( -4.458 16.713 3.169) 17.585 8.636 ( -4.873 14.824 1.671) 15.694 12.136 ( 0.746 -8.177 1.748) 8.395 12.163 ( -0.066 -10.194 -0.658) 10.215 12.456 ( -1.005 1.737 3.518) 4.051 12.524 ( -4.019 -0.119 -3.317) 5.213 13.580 ( 10.373 -6.226 1.260) 12.163 13.586 ( 10.679 -5.714 0.698) 12.131 13.732 ( 3.742 -8.902 -0.528) 9.671 13.751 ( 2.550 -10.408 -2.568) 11.019 13.987 ( 1.109 -5.053 4.786) 7.048 14.056 ( -0.210 -4.870 -2.055) 5.290 14.383 ( -2.956 -3.840 1.165) 4.984 14.418 ( -4.938 -2.129 -1.883) 5.698 14.561 ( -8.395 -4.285 0.408) 9.434 14.586 ( -8.412 -5.267 -2.274) 10.182 14.858 ( 0.543 0.812 -0.221) 1.002 14.860 ( 0.451 1.157 -0.490) 1.335 15.052 ( 3.140 -1.843 3.080) 4.769 15.099 ( 1.629 -0.960 -2.026) 2.771 15.163 ( 0.472 -0.802 4.695) 4.787 15.227 ( 0.562 -0.209 -2.136) 2.219 15.278 ( -0.971 -5.599 2.906) 6.382 15.328 ( -1.050 -6.845 -1.730) 7.138 15.442 ( -1.512 0.855 0.049) 1.738 15.483 ( -2.944 1.705 -3.978) 5.234 15.756 ( 0.197 -2.797 2.262) 3.602 15.793 ( -1.206 -2.949 -1.560) 3.547 15.906 ( -0.985 0.448 0.414) 1.159 15.920 ( -1.847 0.220 -1.096) 2.159 16.098 ( 2.883 -4.797 1.063) 5.696 16.120 ( 3.069 -4.368 -1.149) 5.461 16.293 ( -2.690 -1.441 1.742) 3.514 16.325 ( -2.902 -1.930 -1.501) 3.795 16.653 ( 1.957 1.126 0.471) 2.306 16.669 ( 1.316 0.405 -1.144) 1.790 16.919 ( 3.464 -1.536 1.421) 4.048 16.949 ( 1.922 -1.724 -1.689) 3.085 18.166 ( 0.853 -3.669 2.903) 4.756 18.194 ( -0.215 -4.571 1.043) 4.693 18.322 ( 0.768 -3.830 0.958) 4.022 18.399 ( -2.653 -5.608 -6.179) 8.756 18.909 ( 0.325 -5.860 1.474) 6.051 18.925 ( 0.131 -6.200 0.334) 6.211 18.954 ( -1.202 -7.610 0.702) 7.737 18.969 ( -1.266 -7.908 -0.525) 8.026 ======================= Grid point 269 (92/108) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( -16.259 22.014 8.175) 28.562 3.666 ( 16.259 22.014 8.175) 28.562 3.850 ( -8.566 25.632 -4.225) 27.353 3.850 ( 8.566 25.632 -4.225) 27.353 3.967 ( -7.224 32.428 6.936) 33.939 3.967 ( 7.224 32.428 6.936) 33.939 4.285 ( -12.057 23.603 -17.895) 31.980 4.285 ( 12.057 23.603 -17.895) 31.980 4.995 ( -1.460 12.699 10.983) 16.853 4.995 ( 1.460 12.699 10.983) 16.853 5.182 ( -2.145 10.850 -7.453) 13.337 5.182 ( 2.145 10.850 -7.453) 13.337 5.789 ( -1.672 17.680 4.935) 18.432 5.789 ( 1.672 17.680 4.935) 18.432 5.891 ( -1.256 3.653 -0.865) 3.959 5.891 ( 1.256 3.653 -0.865) 3.959 6.203 ( -0.914 12.506 5.293) 13.610 6.203 ( 0.914 12.506 5.293) 13.610 6.488 ( -4.292 13.122 6.692) 15.342 6.488 ( 4.292 13.122 6.692) 15.342 6.586 ( -4.192 28.926 2.528) 29.337 6.586 ( 4.192 28.926 2.528) 29.337 6.858 ( -5.128 14.812 -4.922) 16.430 6.858 ( 5.128 14.812 -4.922) 16.430 7.184 ( -1.610 25.496 -5.175) 26.066 7.184 ( 1.610 25.496 -5.175) 26.066 7.254 ( -4.400 19.292 -4.015) 20.190 7.254 ( 4.400 19.292 -4.015) 20.190 7.545 ( -2.868 18.416 -0.066) 18.638 7.545 ( 2.868 18.416 -0.066) 18.638 7.644 ( -2.370 8.784 -2.382) 9.405 7.644 ( 2.370 8.784 -2.382) 9.405 7.855 ( -3.567 10.868 3.141) 11.862 7.855 ( 3.567 10.868 3.141) 11.862 7.953 ( -3.492 8.623 -5.848) 10.989 7.953 ( 3.492 8.623 -5.848) 10.989 8.305 ( -0.240 2.249 2.395) 3.294 8.305 ( 0.240 2.249 2.395) 3.294 8.572 ( -0.481 18.808 2.538) 18.985 8.572 ( 0.481 18.808 2.538) 18.985 12.154 ( -0.881 -12.529 1.128) 12.611 12.154 ( 0.881 -12.529 1.128) 12.611 12.464 ( -2.008 5.185 -0.581) 5.590 12.464 ( 2.008 5.185 -0.581) 5.590 13.717 ( -3.788 -8.209 2.256) 9.318 13.717 ( 3.788 -8.209 2.256) 9.318 13.760 ( -3.686 -7.562 -2.203) 8.696 13.760 ( 3.686 -7.562 -2.203) 8.696 14.017 ( -2.577 -3.166 1.637) 4.398 14.017 ( 2.577 -3.166 1.637) 4.398 14.411 ( -5.865 -5.457 -0.212) 8.014 14.411 ( 5.865 -5.457 -0.212) 8.014 14.431 ( -6.589 -6.301 -1.884) 9.310 14.431 ( 6.589 -6.301 -1.884) 9.310 14.861 ( -0.104 1.666 -0.502) 1.743 14.861 ( 0.104 1.666 -0.502) 1.743 15.118 ( -2.256 -5.017 1.552) 5.716 15.118 ( 2.256 -5.017 1.552) 5.716 15.179 ( -3.070 -1.753 1.551) 3.861 15.179 ( 3.070 -1.753 1.551) 3.861 15.313 ( -1.946 -5.313 0.545) 5.685 15.313 ( 1.946 -5.313 0.545) 5.685 15.419 ( -1.489 3.177 -2.987) 4.608 15.419 ( 1.489 3.177 -2.987) 4.608 15.778 ( -1.066 -2.701 0.382) 2.929 15.778 ( 1.066 -2.701 0.382) 2.929 15.903 ( -0.353 0.231 -0.365) 0.557 15.903 ( 0.353 0.231 -0.365) 0.557 16.152 ( -1.523 -2.775 0.587) 3.219 16.152 ( 1.523 -2.775 0.587) 3.219 16.262 ( -1.847 -1.771 -0.547) 2.617 16.262 ( 1.847 -1.771 -0.547) 2.617 16.680 ( -0.457 1.176 -0.379) 1.317 16.680 ( 0.457 1.176 -0.379) 1.317 16.961 ( -0.835 -1.882 -0.158) 2.065 16.961 ( 0.835 -1.882 -0.158) 2.065 18.183 ( -0.877 -4.294 2.543) 5.067 18.183 ( 0.877 -4.294 2.543) 5.067 18.351 ( -2.288 -4.416 -3.127) 5.874 18.351 ( 2.288 -4.416 -3.127) 5.874 18.919 ( -0.652 -6.521 1.597) 6.746 18.919 ( 0.652 -6.521 1.597) 6.746 18.949 ( -0.688 -6.983 -0.615) 7.044 18.949 ( 0.688 -6.983 -0.615) 7.044 ======================= Grid point 273 (93/108) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 0.000 27.471 10.625) 29.454 3.808 ( 0.000 25.449 -13.355) 28.741 4.365 ( 0.000 34.076 10.317) 35.604 4.560 ( 0.000 25.018 -8.268) 26.348 4.631 ( 0.000 7.273 2.868) 7.818 4.720 ( 0.000 12.512 -7.455) 14.565 4.849 ( 0.000 19.963 2.943) 20.179 4.923 ( 0.000 17.146 -3.951) 17.595 5.194 ( 0.000 14.942 12.306) 19.357 5.333 ( 0.000 18.379 4.645) 18.957 5.437 ( 0.000 13.131 -6.375) 14.597 5.532 ( 0.000 16.507 -9.082) 18.840 5.763 ( 0.000 15.892 0.727) 15.909 5.804 ( 0.000 12.579 -2.517) 12.828 6.072 ( 0.000 7.794 6.505) 10.152 6.132 ( 0.000 3.002 1.009) 3.167 6.264 ( 0.000 3.827 4.771) 6.117 6.318 ( 0.000 5.593 -3.195) 6.442 6.706 ( 0.000 4.298 8.405) 9.440 6.844 ( 0.000 6.743 8.041) 10.494 6.910 ( 0.000 3.833 -4.895) 6.218 6.973 ( 0.000 5.453 -4.739) 7.224 7.056 ( 0.000 25.112 2.694) 25.256 7.227 ( 0.000 7.767 -8.203) 11.297 7.319 ( 0.000 15.360 -0.607) 15.372 7.376 ( 0.000 4.604 -4.068) 6.144 7.522 ( 0.000 0.345 3.218) 3.237 7.530 ( 0.000 -1.724 -0.051) 1.724 7.560 ( 0.000 5.113 10.303) 11.502 7.839 ( 0.000 12.079 -13.933) 18.440 8.071 ( 0.000 17.626 2.101) 17.751 8.079 ( 0.000 29.790 0.730) 29.799 8.207 ( 0.000 34.583 2.549) 34.677 8.307 ( 0.000 26.838 -4.497) 27.212 8.321 ( 0.000 19.205 3.732) 19.564 8.386 ( 0.000 18.994 -1.487) 19.052 8.526 ( 0.000 25.972 1.063) 25.994 8.591 ( 0.000 24.825 -5.776) 25.489 9.128 ( 0.000 24.377 2.013) 24.460 9.134 ( 0.000 24.113 1.462) 24.158 12.052 ( 0.000 -7.251 1.868) 7.488 12.078 ( 0.000 -5.605 -1.033) 5.699 12.357 ( 0.000 -4.834 3.293) 5.849 12.414 ( 0.000 -9.981 -2.534) 10.298 13.202 ( 0.000 -2.444 3.165) 3.999 13.264 ( 0.000 -2.066 -3.128) 3.749 13.535 ( 0.000 -1.005 0.488) 1.117 13.553 ( 0.000 -0.738 -1.253) 1.454 13.919 ( 0.000 -2.596 -0.073) 2.597 13.928 ( 0.000 -1.646 -0.897) 1.875 14.431 ( 0.000 -9.216 4.340) 10.187 14.491 ( 0.000 -9.488 -2.028) 9.703 14.700 ( 0.000 -1.237 0.771) 1.457 14.717 ( 0.000 -2.970 -1.036) 3.146 14.817 ( 0.000 -0.226 2.899) 2.908 14.856 ( 0.000 1.524 -1.155) 1.912 15.032 ( 0.000 0.682 3.715) 3.777 15.076 ( 0.000 -2.403 -0.528) 2.461 15.185 ( 0.000 0.278 2.931) 2.944 15.223 ( 0.000 -2.941 -0.761) 3.038 15.261 ( 0.000 -1.567 -2.517) 2.965 15.278 ( 0.000 0.235 -4.546) 4.552 15.458 ( 0.000 3.685 1.901) 4.146 15.507 ( 0.000 2.540 -3.350) 4.204 15.734 ( 0.000 -2.327 2.574) 3.470 15.785 ( 0.000 -2.042 -2.594) 3.301 15.875 ( 0.000 -7.586 1.823) 7.802 15.910 ( 0.000 -7.558 -1.806) 7.771 16.068 ( 0.000 0.438 0.119) 0.454 16.080 ( 0.000 -0.784 -1.204) 1.437 16.190 ( 0.000 -1.401 1.502) 2.054 16.221 ( 0.000 -0.106 -1.773) 1.777 16.570 ( 0.000 -4.993 0.180) 4.996 16.573 ( 0.000 -5.380 -0.156) 5.383 16.781 ( 0.000 -3.286 2.254) 3.984 16.821 ( 0.000 -4.822 -1.900) 5.183 18.043 ( 0.000 -7.249 1.974) 7.513 18.063 ( 0.000 -8.350 0.537) 8.367 18.194 ( 0.000 -8.097 2.851) 8.584 18.279 ( 0.000 -10.657 -5.453) 11.971 18.781 ( 0.000 -8.272 1.574) 8.420 18.792 ( 0.000 -6.058 0.954) 6.132 18.812 ( 0.000 -9.023 0.008) 9.023 18.830 ( 0.000 -6.666 -1.390) 6.809 ======================= Grid point 274 (94/108) ======================= q-point: ( 0.17 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 6.913 25.643 10.243) 28.466 3.867 ( 6.070 23.519 -13.017) 27.558 4.384 ( 1.777 32.935 10.796) 34.705 4.548 ( -4.381 13.826 0.454) 14.511 4.585 ( -1.696 17.892 -3.391) 18.289 4.666 ( -4.484 18.931 -10.732) 22.219 4.830 ( -2.935 20.249 4.207) 20.889 4.913 ( -1.034 15.963 -3.292) 16.331 5.203 ( 0.934 14.522 11.376) 18.470 5.356 ( 0.917 15.058 0.147) 15.086 5.398 ( -2.046 16.718 -4.248) 17.371 5.495 ( -2.615 19.238 -8.466) 21.181 5.819 ( 4.411 12.167 1.604) 13.041 5.861 ( 4.617 10.527 -2.427) 11.748 6.022 ( -3.026 5.264 6.872) 9.170 6.107 ( -2.920 3.654 -1.846) 5.028 6.294 ( 3.099 4.978 6.548) 8.789 6.353 ( 3.615 6.707 -0.402) 7.629 6.756 ( 0.541 4.088 7.629) 8.672 6.805 ( -1.353 8.727 7.357) 11.494 6.865 ( -3.620 6.892 0.800) 7.825 6.977 ( 2.855 6.428 -10.929) 12.997 7.128 ( 4.492 22.969 0.709) 23.415 7.234 ( 1.874 3.764 -5.601) 7.004 7.263 ( -4.757 13.179 2.432) 14.221 7.376 ( -1.463 3.237 -6.164) 7.115 7.494 ( -2.067 -3.316 3.362) 5.155 7.534 ( -0.221 -0.446 -0.643) 0.814 7.631 ( 6.748 11.910 7.467) 15.593 7.859 ( 2.576 13.405 -12.929) 18.801 8.074 ( 0.332 19.429 3.606) 19.763 8.099 ( 1.447 27.583 0.759) 27.632 8.184 ( -1.725 30.718 3.018) 30.914 8.289 ( -2.089 24.504 -6.180) 25.358 8.333 ( 0.602 22.148 3.603) 22.447 8.371 ( -1.942 23.335 -0.855) 23.432 8.534 ( 1.285 25.687 -0.031) 25.719 8.576 ( -1.170 24.663 -4.755) 25.144 9.107 ( -2.158 24.578 1.931) 24.748 9.111 ( -2.298 24.173 1.520) 24.329 11.989 ( -4.158 -8.584 3.357) 10.112 12.054 ( -3.763 -6.548 -3.480) 8.316 12.386 ( 3.967 -4.953 5.280) 8.255 12.473 ( 4.202 -5.430 -3.692) 7.795 13.285 ( 8.202 -2.767 2.589) 9.035 13.334 ( 7.011 -2.434 -2.397) 7.799 13.543 ( 0.897 -2.449 0.345) 2.631 13.563 ( 1.233 -2.297 -1.468) 2.992 13.907 ( -0.248 -1.627 2.063) 2.639 13.950 ( 1.686 -2.083 -2.069) 3.385 14.374 ( -5.737 -8.846 4.310) 11.391 14.441 ( -5.255 -8.836 -2.577) 10.599 14.632 ( -6.396 -3.065 0.386) 7.103 14.646 ( -6.794 -3.857 -1.159) 7.898 14.845 ( 2.001 0.795 2.116) 3.019 14.873 ( 1.200 1.332 -0.882) 1.998 15.031 ( -0.209 0.344 4.037) 4.057 15.088 ( 0.998 -2.536 -0.752) 2.827 15.168 ( -2.669 0.592 2.522) 3.719 15.200 ( -1.586 -2.973 1.253) 3.595 15.240 ( -1.439 -2.818 -2.745) 4.189 15.247 ( -2.308 -0.135 -4.346) 4.923 15.477 ( 1.397 2.920 1.440) 3.542 15.525 ( 0.903 1.552 -3.550) 3.979 15.718 ( -0.999 -1.881 2.536) 3.312 15.766 ( -1.526 -2.323 -2.390) 3.666 15.885 ( 0.988 -6.742 1.529) 6.983 15.920 ( 0.570 -6.651 -2.159) 7.016 16.002 ( -2.522 1.554 1.837) 3.486 16.040 ( -2.207 1.123 -2.263) 3.355 16.257 ( 3.452 -1.419 0.940) 3.849 16.279 ( 3.183 -1.690 -1.240) 3.811 16.589 ( 2.122 -4.580 0.144) 5.049 16.593 ( 2.011 -3.748 -0.239) 4.260 16.801 ( 2.027 -4.146 2.022) 5.038 16.837 ( 1.605 -5.314 -1.765) 5.824 18.044 ( 0.116 -7.393 2.005) 7.661 18.062 ( -0.050 -8.409 0.718) 8.440 18.194 ( 0.046 -8.087 2.203) 8.381 18.268 ( -1.056 -10.419 -5.019) 11.613 18.780 ( -0.099 -8.070 1.576) 8.223 18.791 ( -0.117 -6.112 1.162) 6.223 18.808 ( -0.355 -8.765 -0.256) 8.776 18.825 ( -0.505 -6.655 -1.317) 6.803 ======================= Grid point 275 (95/108) ======================= q-point: ( 0.33 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 11.247 20.937 8.896) 25.377 4.010 ( 7.874 18.226 -10.922) 22.660 4.360 ( -6.757 18.256 8.703) 21.323 4.486 ( 0.659 28.059 4.398) 28.409 4.493 ( -6.662 13.734 -4.535) 15.924 4.643 ( 0.050 24.602 -6.332) 25.403 4.752 ( -3.115 28.967 0.568) 29.140 4.872 ( -3.750 18.991 -6.957) 20.570 5.231 ( 2.102 14.393 9.171) 17.196 5.327 ( -2.386 11.890 0.960) 12.165 5.397 ( 0.590 19.199 -4.125) 19.646 5.464 ( -1.370 16.937 -7.101) 18.417 5.891 ( 3.653 6.432 3.835) 8.332 5.939 ( 3.542 9.007 -1.163) 9.748 6.002 ( 0.229 3.921 3.039) 4.966 6.046 ( -3.372 3.161 -1.147) 4.762 6.364 ( 4.302 7.740 9.135) 12.723 6.446 ( 5.450 9.473 0.773) 10.956 6.643 ( -6.554 5.394 9.329) 12.612 6.759 ( -5.896 6.499 -1.906) 8.980 6.913 ( 5.951 9.829 2.651) 11.792 7.037 ( 2.283 6.847 -7.511) 10.417 7.172 ( -3.746 12.585 3.248) 13.527 7.194 ( 2.133 19.347 -1.277) 19.506 7.303 ( 3.400 5.077 -3.926) 7.263 7.332 ( -0.816 -0.302 -5.694) 5.760 7.448 ( -2.559 -2.162 2.897) 4.429 7.514 ( -2.164 -1.973 -3.261) 4.383 7.777 ( 8.262 16.676 5.428) 19.386 7.943 ( 6.170 14.520 -9.813) 18.580 8.044 ( -4.433 20.197 6.110) 21.562 8.119 ( 0.406 23.792 1.110) 23.821 8.181 ( 1.390 27.820 0.921) 27.870 8.231 ( -3.597 21.696 -3.750) 22.309 8.312 ( -2.416 27.620 0.016) 27.725 8.326 ( -2.754 28.157 -2.144) 28.372 8.569 ( 1.696 25.396 -0.957) 25.471 8.574 ( 1.350 24.202 -1.664) 24.297 9.058 ( -2.617 24.836 1.783) 25.037 9.060 ( -2.722 24.692 1.664) 24.898 11.929 ( -1.950 -9.739 2.629) 10.275 11.973 ( -3.994 -8.674 -1.910) 9.739 12.475 ( 4.621 -1.267 3.179) 5.750 12.534 ( 1.949 -0.872 -2.833) 3.547 13.465 ( 9.177 -4.251 1.631) 10.244 13.484 ( 7.923 -3.754 0.315) 8.773 13.574 ( 2.012 -6.104 -0.772) 6.473 13.594 ( 2.048 -4.590 -2.074) 5.437 13.927 ( 2.615 -0.647 4.090) 4.897 13.986 ( 1.672 -1.769 -1.414) 2.815 14.259 ( -4.553 -8.171 2.632) 9.717 14.321 ( -6.019 -7.286 -3.066) 9.935 14.475 ( -10.084 -4.347 -0.373) 10.987 14.484 ( -10.197 -5.069 -1.167) 11.447 14.876 ( 1.303 1.029 1.047) 1.963 14.891 ( 0.581 0.899 -0.494) 1.179 15.026 ( -0.016 -0.864 3.632) 3.733 15.086 ( -2.458 -0.340 -2.474) 3.504 15.115 ( -0.898 -6.168 3.460) 7.129 15.155 ( -2.834 -4.395 -0.502) 5.253 15.229 ( 0.701 -1.783 -0.602) 2.008 15.239 ( 0.564 0.096 -0.791) 0.977 15.488 ( -0.196 2.760 -0.351) 2.789 15.515 ( -1.687 1.405 -2.867) 3.611 15.719 ( 0.915 -1.182 1.339) 2.007 15.745 ( -0.615 -2.029 -1.316) 2.495 15.897 ( 0.018 -3.143 0.406) 3.169 15.907 ( -1.148 -1.247 -0.524) 1.774 16.030 ( 4.426 -1.614 0.558) 4.744 16.052 ( 3.536 -0.408 -1.461) 3.848 16.265 ( -2.365 -1.249 0.912) 2.826 16.286 ( -2.549 -1.736 -1.012) 3.246 16.640 ( 2.735 -2.970 -0.181) 4.042 16.641 ( 2.642 -2.365 -0.230) 3.554 16.847 ( 2.497 -5.468 1.197) 6.129 16.869 ( 1.461 -6.009 -1.129) 6.286 18.048 ( 0.280 -7.776 2.006) 8.035 18.060 ( -0.219 -8.452 1.236) 8.545 18.198 ( 0.529 -8.231 0.433) 8.260 18.243 ( -1.567 -9.726 -3.747) 10.540 18.779 ( -0.027 -7.575 1.580) 7.738 18.787 ( -0.344 -6.518 1.596) 6.720 18.803 ( -0.083 -7.935 -0.830) 7.978 18.814 ( -0.591 -6.782 -1.158) 6.906 ======================= Grid point 276 (96/108) ======================= q-point: (-0.50 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.026 ( -8.549 15.169 3.624) 17.785 4.026 ( 8.549 15.169 3.624) 17.785 4.330 ( -6.758 17.721 -4.393) 19.468 4.330 ( 6.758 17.721 -4.393) 19.468 4.574 ( -5.549 27.286 6.558) 28.606 4.574 ( 5.549 27.286 6.558) 28.606 4.785 ( -4.694 26.924 -9.830) 29.044 4.785 ( 4.694 26.924 -9.830) 29.044 5.278 ( -2.788 14.118 6.847) 15.937 5.278 ( 2.788 14.118 6.847) 15.937 5.426 ( -2.341 15.178 -6.435) 16.652 5.426 ( 2.341 15.178 -6.435) 16.652 5.965 ( -3.660 3.961 2.512) 5.949 5.965 ( 3.660 3.961 2.512) 5.949 5.998 ( -1.783 5.843 -0.280) 6.115 5.998 ( 1.783 5.843 -0.280) 6.115 6.453 ( -4.732 10.554 9.727) 15.113 6.453 ( 4.732 10.554 9.727) 15.113 6.640 ( -5.959 4.815 -1.363) 7.781 6.640 ( 5.959 4.815 -1.363) 7.781 7.011 ( -4.306 10.062 1.573) 11.057 7.011 ( 4.306 10.062 1.573) 11.057 7.175 ( -2.893 13.491 -4.988) 14.672 7.175 ( 2.893 13.491 -4.988) 14.672 7.338 ( -2.489 2.485 0.291) 3.529 7.338 ( 2.489 2.485 0.291) 3.529 7.454 ( -3.598 -1.451 -3.794) 5.426 7.454 ( 3.598 -1.451 -3.794) 5.426 7.927 ( -7.519 19.183 6.067) 21.478 7.927 ( 7.519 19.183 6.067) 21.478 8.065 ( -6.018 14.669 -5.874) 16.908 8.065 ( 6.018 14.669 -5.874) 16.908 8.201 ( -0.566 28.569 1.542) 28.617 8.201 ( 0.566 28.569 1.542) 28.617 8.285 ( -0.491 28.827 -2.585) 28.947 8.285 ( 0.491 28.827 -2.585) 28.947 8.591 ( -0.299 24.690 -0.733) 24.703 8.591 ( 0.299 24.690 -0.733) 24.703 9.030 ( -0.044 25.063 1.739) 25.124 9.030 ( 0.044 25.063 1.739) 25.124 11.922 ( -1.258 -9.820 0.584) 9.917 11.922 ( 1.258 -9.820 0.584) 9.917 12.537 ( -1.698 0.945 -0.190) 1.952 12.537 ( 1.698 0.945 -0.190) 1.952 13.561 ( -2.463 -6.104 2.291) 6.970 13.561 ( 2.463 -6.104 2.291) 6.970 13.614 ( -2.776 -6.234 -2.276) 7.194 13.614 ( 2.776 -6.234 -2.276) 7.194 13.979 ( -2.213 -0.584 2.155) 3.144 13.979 ( 2.213 -0.584 2.155) 3.144 14.285 ( -5.582 -7.214 0.641) 9.144 14.285 ( 5.582 -7.214 0.641) 9.144 14.315 ( -3.834 -4.737 -2.864) 6.734 14.315 ( 3.834 -4.737 -2.864) 6.734 14.892 ( -0.395 0.978 0.188) 1.071 14.892 ( 0.395 0.978 0.188) 1.071 15.040 ( -1.683 -2.853 1.613) 3.684 15.040 ( 1.683 -2.853 1.613) 3.684 15.118 ( -1.036 -4.774 -0.108) 4.886 15.118 ( 1.036 -4.774 -0.108) 4.886 15.244 ( -0.401 -1.274 0.473) 1.416 15.244 ( 0.401 -1.274 0.473) 1.416 15.488 ( -0.678 3.243 -2.024) 3.882 15.488 ( 0.678 3.243 -2.024) 3.882 15.736 ( -0.641 -1.837 -0.016) 1.945 15.736 ( 0.641 -1.837 -0.016) 1.945 15.896 ( -0.115 -1.157 -0.104) 1.167 15.896 ( 0.115 -1.157 -0.104) 1.167 16.106 ( -1.111 -1.470 -0.141) 1.848 16.106 ( 1.111 -1.470 -0.141) 1.848 16.225 ( -1.214 -1.226 -0.216) 1.739 16.225 ( 1.214 -1.226 -0.216) 1.739 16.669 ( -0.034 -2.130 -0.267) 2.147 16.669 ( 0.034 -2.130 -0.267) 2.147 16.879 ( -0.649 -6.112 -0.012) 6.146 16.879 ( 0.649 -6.112 -0.012) 6.146 18.054 ( -0.357 -8.221 1.776) 8.419 18.054 ( 0.357 -8.221 1.776) 8.419 18.215 ( -1.269 -8.832 -1.800) 9.102 18.215 ( 1.269 -8.832 -1.800) 9.102 18.780 ( -0.242 -7.047 1.595) 7.229 18.780 ( 0.242 -7.047 1.595) 7.229 18.805 ( -0.341 -7.170 -0.999) 7.247 18.805 ( 0.341 -7.170 -0.999) 7.247 ======================= Grid point 280 (97/108) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 0.000 19.468 8.144) 21.103 4.230 ( 0.000 15.906 -10.454) 19.034 4.701 ( 0.000 0.534 1.605) 1.692 4.710 ( 0.000 -0.416 0.516) 0.663 4.963 ( 0.000 25.202 8.180) 26.496 5.144 ( 0.000 20.853 -10.978) 23.566 5.224 ( 0.000 16.857 1.789) 16.952 5.263 ( 0.000 15.608 -2.109) 15.749 5.452 ( 0.000 10.696 6.575) 12.555 5.575 ( 0.000 7.190 -6.039) 9.390 5.826 ( 0.000 22.524 2.161) 22.627 5.885 ( 0.000 17.641 -4.110) 18.113 6.022 ( 0.000 9.142 1.854) 9.328 6.048 ( 0.000 10.886 -0.948) 10.927 6.217 ( 0.000 7.894 3.152) 8.500 6.259 ( 0.000 10.269 0.412) 10.277 6.329 ( 0.000 4.007 3.349) 5.223 6.421 ( 0.000 5.243 -5.421) 7.541 6.764 ( 0.000 1.854 9.818) 9.991 6.919 ( 0.000 -2.825 1.962) 3.439 6.934 ( 0.000 1.497 -1.576) 2.174 6.965 ( 0.000 -5.799 0.645) 5.835 7.143 ( 0.000 -6.462 1.173) 6.568 7.199 ( 0.000 -0.883 -4.643) 4.727 7.361 ( 0.000 -0.431 4.344) 4.365 7.487 ( 0.000 -1.820 0.165) 1.828 7.507 ( 0.000 -1.230 -0.337) 1.276 7.535 ( 0.000 -2.927 -10.229) 10.639 7.968 ( 0.000 21.833 4.752) 22.344 8.070 ( 0.000 15.637 -5.532) 16.587 8.511 ( 0.000 21.796 6.135) 22.643 8.598 ( 0.000 18.102 -1.668) 18.179 8.727 ( 0.000 22.251 0.347) 22.254 8.734 ( 0.000 16.357 0.798) 16.376 8.925 ( 0.000 31.202 0.440) 31.205 8.926 ( 0.000 30.315 0.249) 30.316 9.072 ( 0.000 23.374 -2.585) 23.516 9.083 ( 0.000 29.403 -3.689) 29.633 9.626 ( 0.000 23.239 1.034) 23.262 9.631 ( 0.000 23.505 0.542) 23.512 11.908 ( 0.000 -5.936 3.678) 6.983 11.958 ( 0.000 -5.605 -1.499) 5.802 12.226 ( 0.000 -8.686 0.753) 8.719 12.253 ( 0.000 -6.067 -2.005) 6.389 13.220 ( 0.000 4.262 2.692) 5.041 13.276 ( 0.000 3.521 -3.137) 4.716 13.585 ( 0.000 5.950 1.140) 6.059 13.606 ( 0.000 5.891 -0.995) 5.974 13.916 ( 0.000 1.770 1.018) 2.042 13.942 ( 0.000 2.649 -1.610) 3.100 14.204 ( 0.000 -11.837 3.754) 12.418 14.257 ( 0.000 -12.348 -1.841) 12.485 14.625 ( 0.000 -6.348 0.644) 6.380 14.639 ( 0.000 -5.714 -0.790) 5.768 14.714 ( 0.000 -10.498 4.460) 11.406 14.793 ( 0.000 -9.373 -3.419) 9.977 15.033 ( 0.000 0.284 4.109) 4.119 15.072 ( 0.000 3.685 0.310) 3.698 15.186 ( 0.000 0.629 -0.241) 0.673 15.193 ( 0.000 0.097 1.163) 1.167 15.263 ( 0.000 1.206 -2.297) 2.595 15.312 ( 0.000 0.706 -5.147) 5.195 15.521 ( 0.000 2.399 1.151) 2.661 15.547 ( 0.000 1.471 -1.610) 2.181 15.719 ( 0.000 -1.607 2.241) 2.758 15.754 ( 0.000 -1.675 1.103) 2.006 15.759 ( 0.000 -4.960 -1.889) 5.307 15.780 ( 0.000 -0.383 -1.659) 1.703 16.070 ( 0.000 0.259 -0.398) 0.475 16.071 ( 0.000 0.203 -0.538) 0.575 16.195 ( 0.000 1.271 1.776) 2.184 16.229 ( 0.000 0.424 -1.688) 1.741 16.444 ( 0.000 -7.077 -0.085) 7.078 16.445 ( 0.000 -7.019 -0.339) 7.027 16.686 ( 0.000 -5.793 1.082) 5.893 16.696 ( 0.000 -7.050 -0.166) 7.052 17.878 ( 0.000 -8.547 0.915) 8.595 17.878 ( 0.000 -9.279 1.077) 9.341 18.007 ( 0.000 -10.083 1.180) 10.151 18.045 ( 0.000 -12.083 -2.540) 12.347 18.624 ( 0.000 -6.881 0.895) 6.939 18.638 ( 0.000 -7.423 -0.553) 7.444 18.684 ( 0.000 -4.984 1.372) 5.169 18.710 ( 0.000 -5.382 -1.360) 5.551 ======================= Grid point 281 (98/108) ======================= q-point: ( 0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( 3.472 18.038 7.673) 19.908 4.254 ( 2.396 14.470 -9.898) 17.695 4.649 ( -4.663 1.450 3.030) 5.747 4.691 ( -2.613 -0.009 -1.331) 2.932 4.979 ( 1.607 24.476 7.284) 25.587 5.136 ( -0.992 19.966 -8.980) 21.914 5.231 ( 0.858 17.972 1.568) 18.061 5.276 ( 1.196 17.321 -2.901) 17.602 5.457 ( 0.747 10.850 5.696) 12.277 5.554 ( -1.776 8.140 -4.422) 9.433 5.835 ( 0.585 21.934 1.092) 21.968 5.883 ( -0.621 17.771 -3.921) 18.209 6.040 ( 1.795 8.746 2.192) 9.193 6.072 ( 1.967 10.389 -0.819) 10.605 6.127 ( -5.863 7.890 4.828) 10.952 6.218 ( -4.577 8.689 -4.459) 10.785 6.393 ( 5.435 5.486 5.112) 9.261 6.460 ( 4.004 4.241 -1.940) 6.147 6.788 ( -1.105 -0.162 8.686) 8.757 6.895 ( -0.301 -2.945 0.288) 2.974 6.923 ( 0.577 2.746 2.965) 4.083 7.016 ( 3.328 -3.683 -4.291) 6.561 7.140 ( 0.640 -4.324 3.292) 5.472 7.219 ( 1.988 -2.025 -4.717) 5.505 7.381 ( 1.260 -1.428 2.346) 3.021 7.460 ( -2.571 -0.703 0.075) 2.667 7.476 ( -2.943 -0.728 -0.510) 3.074 7.524 ( -1.157 -1.592 -9.492) 9.694 8.015 ( 4.761 19.758 4.608) 20.840 8.108 ( 3.854 14.776 -4.713) 15.982 8.476 ( -3.545 17.946 6.076) 19.275 8.562 ( -4.090 15.381 -2.508) 16.112 8.723 ( 0.714 21.919 2.430) 22.065 8.750 ( 1.228 25.144 -0.885) 25.189 8.926 ( -0.163 27.654 0.738) 27.664 8.942 ( 0.578 29.519 -0.642) 29.531 9.082 ( 1.485 26.216 -1.731) 26.315 9.101 ( 2.115 29.756 -3.537) 30.040 9.603 ( -2.374 23.239 1.039) 23.383 9.608 ( -2.268 23.319 0.514) 23.434 11.848 ( -4.100 -4.799 4.416) 7.703 11.932 ( -4.007 -4.717 -4.424) 7.608 12.254 ( 5.224 -8.026 5.017) 10.811 12.342 ( 6.123 -7.905 -4.153) 10.827 13.288 ( 6.642 3.054 2.041) 7.590 13.334 ( 5.718 2.584 -2.641) 6.808 13.571 ( -1.443 5.219 0.958) 5.499 13.589 ( -1.427 4.766 -0.799) 5.039 13.917 ( 0.538 2.054 1.996) 2.915 13.958 ( 1.556 2.386 -1.970) 3.463 14.162 ( -4.235 -10.647 4.264) 12.226 14.228 ( -3.058 -10.880 -2.529) 11.581 14.542 ( -7.384 -6.481 0.298) 9.829 14.548 ( -7.322 -6.207 -0.256) 9.602 14.767 ( 3.022 -9.528 2.598) 10.328 14.816 ( 1.472 -8.867 -2.149) 9.242 15.027 ( -0.602 -0.332 3.765) 3.827 15.059 ( -1.296 2.615 0.609) 2.981 15.168 ( -2.764 0.927 -0.579) 2.972 15.200 ( -2.881 -0.838 -3.414) 4.545 15.210 ( -1.844 1.972 2.166) 3.462 15.268 ( -2.979 0.408 -3.189) 4.383 15.526 ( 0.437 1.423 0.336) 1.526 15.550 ( -0.197 1.146 -2.106) 2.406 15.701 ( -1.256 -1.559 1.107) 2.288 15.711 ( -1.844 -3.659 0.039) 4.097 15.790 ( 1.604 -2.890 -0.344) 3.323 15.799 ( 2.305 -2.070 -1.129) 3.297 16.054 ( -0.933 3.421 1.290) 3.774 16.083 ( 0.656 2.995 -1.736) 3.523 16.235 ( 2.411 -0.957 0.605) 2.663 16.253 ( 2.239 -0.991 -1.083) 2.678 16.476 ( 3.674 -6.124 0.865) 7.194 16.494 ( 4.064 -5.785 -0.931) 7.130 16.690 ( 0.592 -6.484 1.121) 6.607 16.703 ( 0.775 -7.478 -0.381) 7.527 17.876 ( -0.140 -8.870 1.105) 8.940 17.879 ( -0.058 -9.020 0.921) 9.067 18.006 ( -0.035 -10.121 0.889) 10.160 18.039 ( -0.577 -11.871 -2.318) 12.109 18.626 ( 0.266 -6.753 0.948) 6.824 18.641 ( 0.374 -7.227 -0.617) 7.263 18.679 ( -0.546 -5.090 1.340) 5.291 18.704 ( -0.646 -5.465 -1.288) 5.652 ======================= Grid point 282 (99/108) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.176 ( 5.847 14.407 6.184) 16.733 4.305 ( 2.269 11.124 -7.015) 13.345 4.551 ( -4.709 3.974 2.928) 6.823 4.618 ( -4.880 1.602 -3.538) 6.237 5.017 ( 2.396 22.601 4.710) 23.211 5.106 ( -2.052 19.572 -4.125) 20.107 5.257 ( 1.815 19.788 0.295) 19.873 5.296 ( 0.585 19.476 -3.363) 19.772 5.484 ( 2.013 11.085 3.729) 11.868 5.529 ( -0.658 9.938 -1.261) 10.039 5.825 ( -1.810 20.328 -0.739) 20.422 5.848 ( -3.053 18.692 -2.920) 19.163 6.048 ( -1.090 9.383 5.201) 10.784 6.078 ( 0.820 5.158 1.690) 5.489 6.105 ( 1.233 8.388 -0.871) 8.523 6.146 ( -2.268 9.561 -4.283) 10.719 6.493 ( 5.216 4.928 6.864) 9.930 6.572 ( 7.459 3.488 -1.923) 8.456 6.706 ( -5.793 1.470 9.615) 11.322 6.834 ( -5.284 0.839 -3.765) 6.543 7.010 ( 5.384 -0.871 3.020) 6.234 7.061 ( 1.534 -2.750 0.698) 3.225 7.192 ( 4.169 -0.903 1.484) 4.517 7.265 ( 2.660 -4.002 -5.399) 7.228 7.365 ( -3.183 -2.842 0.822) 4.346 7.406 ( -3.344 -2.135 -2.149) 4.512 7.436 ( -0.091 3.538 -1.112) 3.709 7.493 ( -2.063 0.850 -7.477) 7.803 8.129 ( 7.054 16.384 4.541) 18.407 8.204 ( 6.132 13.071 -2.988) 14.744 8.388 ( -5.735 14.334 5.313) 16.327 8.458 ( -6.587 12.442 -2.047) 14.226 8.753 ( 2.282 26.621 1.794) 26.779 8.780 ( 1.799 27.805 -1.068) 27.884 8.906 ( -1.706 26.793 0.212) 26.849 8.928 ( -1.910 27.438 -1.726) 27.558 9.132 ( 3.324 29.833 -0.395) 30.020 9.153 ( 2.793 30.492 -2.539) 30.724 9.550 ( -2.775 22.955 1.100) 23.148 9.557 ( -2.818 23.009 0.348) 23.184 11.790 ( -1.782 -3.565 3.081) 5.038 11.845 ( -4.376 -3.430 -2.608) 6.141 12.378 ( 6.708 -8.319 3.365) 11.204 12.443 ( 3.980 -8.288 -3.350) 9.786 13.423 ( 6.337 -0.185 1.553) 6.527 13.452 ( 5.456 0.370 -1.031) 5.565 13.541 ( -1.084 3.097 0.761) 3.368 13.568 ( -0.735 2.382 -1.575) 2.949 13.952 ( 3.227 2.246 2.873) 4.869 13.992 ( 1.444 2.153 -0.668) 2.677 14.082 ( -2.277 -8.138 4.046) 9.369 14.164 ( -2.537 -6.825 -3.710) 8.172 14.379 ( -10.249 -5.175 -0.260) 11.484 14.386 ( -9.150 -5.030 -0.914) 10.481 14.810 ( 1.612 -9.447 1.542) 9.707 14.833 ( 0.367 -8.522 -0.742) 8.562 15.010 ( -1.261 -0.872 3.483) 3.806 15.028 ( -1.989 0.199 1.945) 2.789 15.084 ( -4.346 0.064 -2.658) 5.095 15.093 ( -4.671 -1.178 -3.095) 5.726 15.227 ( 1.061 0.944 1.484) 2.054 15.245 ( -0.163 0.792 -0.232) 0.842 15.531 ( 0.109 0.657 -1.114) 1.298 15.540 ( -0.549 0.928 -1.899) 2.184 15.689 ( -0.105 -2.309 0.506) 2.366 15.694 ( -0.258 -2.857 -0.055) 2.869 15.828 ( 2.009 -2.957 0.204) 3.581 15.843 ( 1.734 -3.538 -1.269) 4.140 16.061 ( 2.081 4.190 1.993) 5.086 16.102 ( 1.668 4.404 -2.335) 5.257 16.244 ( -1.349 -0.528 1.127) 1.835 16.268 ( -1.258 0.078 -1.318) 1.823 16.557 ( 4.130 -4.889 0.766) 6.446 16.571 ( 3.495 -4.479 -0.646) 5.718 16.709 ( 1.300 -7.862 0.791) 8.009 16.721 ( 0.883 -8.288 -0.445) 8.347 17.874 ( -0.068 -8.959 1.147) 9.032 17.876 ( -0.147 -9.062 0.949) 9.113 18.007 ( 0.161 -10.302 0.136) 10.304 18.026 ( -0.765 -11.334 -1.696) 11.486 18.634 ( 0.572 -6.389 1.052) 6.500 18.651 ( 0.587 -6.715 -0.644) 6.771 18.666 ( -0.721 -5.440 1.145) 5.606 18.688 ( -0.991 -5.731 -1.112) 5.921 ======================= Grid point 283 (100/108) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( -4.762 10.512 2.064) 11.723 4.285 ( 4.762 10.512 2.064) 11.723 4.533 ( -3.107 4.384 -3.053) 6.180 4.533 ( 3.107 4.384 -3.053) 6.180 5.063 ( -2.458 20.652 0.779) 20.812 5.063 ( 2.458 20.652 0.779) 20.812 5.289 ( -1.280 20.236 -1.698) 20.348 5.289 ( 1.280 20.236 -1.698) 20.348 5.518 ( -1.158 11.088 1.356) 11.230 5.518 ( 1.158 11.088 1.356) 11.230 5.803 ( -0.623 19.219 -1.514) 19.288 5.803 ( 0.623 19.219 -1.514) 19.288 6.061 ( -1.699 6.531 2.404) 7.164 6.061 ( 1.699 6.531 2.404) 7.164 6.127 ( -0.880 9.000 -2.052) 9.273 6.127 ( 0.880 9.000 -2.052) 9.273 6.595 ( -5.761 3.502 8.992) 11.238 6.595 ( 5.761 3.502 8.992) 11.238 6.715 ( -7.235 2.913 -3.417) 8.515 6.715 ( 7.235 2.913 -3.417) 8.515 7.072 ( -0.947 -2.380 2.673) 3.702 7.072 ( 0.947 -2.380 2.673) 3.702 7.266 ( -3.419 -0.462 -0.931) 3.573 7.266 ( 3.419 -0.462 -0.931) 3.573 7.349 ( -2.556 -4.639 -2.363) 5.800 7.349 ( 2.556 -4.639 -2.363) 5.800 7.453 ( -1.833 3.499 -4.872) 6.272 7.453 ( 1.833 3.499 -4.872) 6.272 8.264 ( -6.808 14.206 4.858) 16.485 8.264 ( 6.808 14.206 4.858) 16.485 8.330 ( -6.612 11.986 -2.059) 13.843 8.330 ( 6.612 11.986 -2.059) 13.843 8.792 ( -1.165 27.820 0.396) 27.847 8.792 ( 1.165 27.820 0.396) 27.847 8.892 ( -1.046 27.350 -1.291) 27.400 8.892 ( 1.046 27.350 -1.291) 27.400 9.177 ( -0.773 30.907 -0.996) 30.933 9.177 ( 0.773 30.907 -0.996) 30.933 9.523 ( -0.331 22.683 0.651) 22.694 9.523 ( 0.331 22.683 0.651) 22.694 11.787 ( -1.558 -3.045 0.428) 3.447 11.787 ( 1.558 -3.045 0.428) 3.447 12.466 ( -1.963 -8.211 -0.332) 8.449 12.466 ( 1.963 -8.211 -0.332) 8.449 13.489 ( -0.937 -1.547 2.499) 3.085 13.489 ( 0.937 -1.547 2.499) 3.085 13.553 ( -1.381 0.950 -2.301) 2.847 13.553 ( 1.381 0.950 -2.301) 2.847 13.991 ( -0.665 1.503 1.834) 2.462 13.991 ( 0.665 1.503 1.834) 2.462 14.146 ( -5.446 -5.565 1.358) 7.904 14.146 ( 5.446 -5.565 1.358) 7.904 14.240 ( -2.789 -3.008 -2.829) 4.983 14.240 ( 2.789 -3.008 -2.829) 4.983 14.830 ( -0.618 -8.959 0.485) 8.993 14.830 ( 0.618 -8.959 0.485) 8.993 14.995 ( -0.556 -0.838 2.632) 2.818 14.995 ( 0.556 -0.838 2.632) 2.818 15.049 ( -0.331 -1.490 -2.875) 3.255 15.049 ( 0.331 -1.490 -2.875) 3.255 15.241 ( -0.449 0.969 0.927) 1.414 15.241 ( 0.449 0.969 0.927) 1.414 15.533 ( -0.207 0.773 -1.700) 1.879 15.533 ( 0.207 0.773 -1.700) 1.879 15.691 ( -0.188 -2.516 0.135) 2.527 15.691 ( 0.188 -2.516 0.135) 2.527 15.853 ( -0.555 -3.106 -0.424) 3.184 15.853 ( 0.555 -3.106 -0.424) 3.184 16.114 ( -2.003 2.735 0.261) 3.401 16.114 ( 2.003 2.735 0.261) 3.401 16.229 ( -1.432 1.581 -0.453) 2.181 16.229 ( 1.432 1.581 -0.453) 2.181 16.603 ( -0.400 -4.194 0.065) 4.214 16.603 ( 0.400 -4.194 0.065) 4.214 16.727 ( -0.375 -8.606 0.067) 8.615 16.727 ( 0.375 -8.606 0.067) 8.615 17.874 ( -0.083 -9.043 1.065) 9.106 17.874 ( 0.083 -9.043 1.065) 9.106 18.013 ( -0.529 -10.727 -0.811) 10.771 18.013 ( 0.529 -10.727 -0.811) 10.771 18.647 ( -0.774 -5.939 1.072) 6.084 18.647 ( 0.774 -5.939 1.072) 6.084 18.670 ( -0.919 -6.136 -0.838) 6.261 18.670 ( 0.919 -6.136 -0.838) 6.261 ======================= Grid point 287 (101/108) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.353 ( 0.000 10.458 4.523) 11.395 4.444 ( 0.000 5.876 -4.978) 7.701 4.680 ( 0.000 -1.707 0.401) 1.754 4.683 ( 0.000 -1.627 0.112) 1.631 5.377 ( 0.000 14.535 3.613) 14.978 5.449 ( 0.000 8.424 -3.602) 9.162 5.475 ( 0.000 7.644 -0.504) 7.660 5.482 ( 0.000 5.860 -0.626) 5.893 5.655 ( 0.000 11.561 3.224) 12.002 5.726 ( 0.000 10.267 -4.045) 11.035 6.110 ( 0.000 0.432 2.086) 2.131 6.148 ( 0.000 -0.224 -1.187) 1.209 6.225 ( 0.000 15.508 0.236) 15.509 6.246 ( 0.000 15.044 -0.731) 15.062 6.424 ( 0.000 5.511 0.115) 5.512 6.433 ( 0.000 8.000 -0.796) 8.040 6.509 ( 0.000 14.255 3.191) 14.607 6.565 ( 0.000 10.634 -1.901) 10.802 6.734 ( 0.000 -10.661 1.440) 10.758 6.758 ( 0.000 -4.826 0.914) 4.912 6.809 ( 0.000 -5.348 5.148) 7.423 6.919 ( 0.000 -4.024 -3.676) 5.450 7.102 ( 0.000 0.433 5.386) 5.404 7.211 ( 0.000 0.507 -5.346) 5.370 7.311 ( 0.000 -3.920 0.036) 3.920 7.360 ( 0.000 -10.439 -4.560) 11.391 7.471 ( 0.000 -0.791 1.090) 1.347 7.483 ( 0.000 -1.070 -0.179) 1.085 8.294 ( 0.000 10.842 2.020) 11.029 8.331 ( 0.000 8.822 -1.665) 8.978 8.815 ( 0.000 8.135 1.081) 8.206 8.829 ( 0.000 6.613 0.061) 6.613 9.065 ( 0.000 15.437 3.268) 15.779 9.121 ( 0.000 14.408 -2.640) 14.648 9.371 ( 0.000 14.804 -0.403) 14.809 9.380 ( 0.000 14.004 -1.938) 14.137 9.562 ( 0.000 22.075 2.437) 22.210 9.621 ( 0.000 20.494 -4.132) 20.906 10.004 ( 0.000 13.498 1.565) 13.588 10.014 ( 0.000 13.532 0.433) 13.539 11.831 ( 0.000 -1.758 3.699) 4.096 11.872 ( 0.000 -2.997 -0.230) 3.006 12.080 ( 0.000 -5.221 0.781) 5.279 12.124 ( 0.000 -6.074 -3.451) 6.986 13.364 ( 0.000 9.525 1.696) 9.674 13.401 ( 0.000 8.499 -2.219) 8.784 13.751 ( 0.000 7.609 0.253) 7.613 13.753 ( 0.000 5.186 -0.019) 5.186 13.891 ( 0.000 -5.101 3.089) 5.963 13.957 ( 0.000 -2.484 -3.683) 4.442 14.082 ( 0.000 2.699 2.696) 3.814 14.116 ( 0.000 2.505 -0.709) 2.604 14.425 ( 0.000 -15.133 3.724) 15.584 14.472 ( 0.000 -10.632 -0.839) 10.665 14.483 ( 0.000 -9.001 1.154) 9.075 14.531 ( 0.000 -14.059 -3.875) 14.583 15.083 ( 0.000 3.710 4.552) 5.873 15.151 ( 0.000 2.639 -1.455) 3.014 15.209 ( 0.000 2.166 1.296) 2.524 15.239 ( 0.000 3.799 -1.829) 4.217 15.272 ( 0.000 0.046 -1.845) 1.846 15.290 ( 0.000 -1.987 -2.890) 3.508 15.513 ( 0.000 -4.966 0.493) 4.990 15.518 ( 0.000 -3.863 -0.084) 3.863 15.693 ( 0.000 0.282 0.223) 0.359 15.700 ( 0.000 1.262 -0.513) 1.362 15.800 ( 0.000 3.320 0.853) 3.428 15.816 ( 0.000 2.314 -0.910) 2.487 16.089 ( 0.000 1.718 0.020) 1.718 16.092 ( 0.000 1.931 -0.348) 1.962 16.215 ( 0.000 -0.280 0.389) 0.479 16.219 ( 0.000 -2.218 0.123) 2.222 16.313 ( 0.000 -4.861 -0.361) 4.875 16.319 ( 0.000 -4.248 -1.333) 4.452 16.564 ( 0.000 -5.327 1.062) 5.432 16.571 ( 0.000 -5.046 0.600) 5.081 17.724 ( 0.000 -5.305 0.954) 5.390 17.733 ( 0.000 -5.108 0.040) 5.108 17.814 ( 0.000 -8.311 0.199) 8.314 17.821 ( 0.000 -9.410 -0.524) 9.425 18.515 ( 0.000 -3.772 0.257) 3.781 18.520 ( 0.000 -4.105 -0.248) 4.112 18.605 ( 0.000 -2.712 0.750) 2.814 18.620 ( 0.000 -3.391 -0.852) 3.496 ======================= Grid point 288 (102/108) ======================= q-point: ( 0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( 1.205 9.711 4.155) 10.631 4.450 ( 0.573 5.457 -4.745) 7.254 4.645 ( -3.075 -0.929 1.145) 3.411 4.666 ( -2.118 -1.811 -0.988) 2.957 5.371 ( -0.381 13.489 2.671) 13.757 5.426 ( -1.710 8.973 -2.994) 9.612 5.484 ( 1.006 6.294 0.695) 6.412 5.505 ( 1.278 5.035 -1.583) 5.430 5.675 ( 2.077 12.474 3.205) 13.046 5.736 ( 1.039 11.675 -3.023) 12.104 6.100 ( -1.175 0.727 1.990) 2.423 6.139 ( -1.139 1.327 -1.737) 2.465 6.222 ( 0.327 14.361 1.673) 14.462 6.262 ( 0.849 13.834 -1.951) 13.997 6.415 ( -1.623 12.859 1.949) 13.107 6.447 ( 0.510 10.364 -1.547) 10.491 6.500 ( 1.032 5.419 3.007) 6.282 6.558 ( 0.394 8.345 -2.706) 8.782 6.714 ( -0.959 -6.917 4.900) 8.531 6.792 ( 1.904 -6.180 -2.838) 7.061 6.846 ( 3.235 -4.270 5.378) 7.591 6.946 ( 2.556 -3.852 -3.679) 5.908 7.120 ( 1.846 -0.215 4.585) 4.947 7.212 ( 0.222 -0.320 -4.165) 4.183 7.324 ( 0.803 -3.897 -1.093) 4.127 7.353 ( -0.766 -7.991 -3.278) 8.671 7.457 ( -1.258 -0.888 1.009) 1.841 7.473 ( -0.763 -1.816 -0.911) 2.170 8.318 ( 2.501 10.229 2.049) 10.727 8.353 ( 2.310 8.326 -1.457) 8.762 8.734 ( -6.548 7.995 2.379) 10.604 8.768 ( -6.068 5.988 -1.134) 8.600 9.121 ( 4.712 16.249 2.697) 17.132 9.171 ( 3.934 14.961 -2.554) 15.679 9.360 ( -1.063 14.955 -0.134) 14.993 9.375 ( -0.691 14.252 -1.986) 14.406 9.593 ( 3.135 21.392 1.867) 21.701 9.638 ( 1.866 20.315 -3.206) 20.650 9.982 ( -2.252 13.541 1.311) 13.790 9.989 ( -2.568 13.545 0.572) 13.798 11.807 ( -1.348 0.685 4.183) 4.448 11.881 ( -0.543 -0.622 -3.342) 3.442 12.091 ( 2.610 -7.134 3.950) 8.562 12.170 ( 3.580 -8.533 -4.072) 10.110 13.399 ( 3.309 7.616 1.396) 8.421 13.432 ( 3.029 6.816 -2.050) 7.736 13.709 ( -4.127 4.174 0.699) 5.911 13.719 ( -3.139 5.546 -0.357) 6.382 13.897 ( 0.933 -3.340 3.208) 4.724 13.958 ( 0.355 -1.090 -3.017) 3.228 14.097 ( 1.312 4.163 1.843) 4.738 14.119 ( 0.259 3.559 -0.276) 3.579 14.359 ( -5.015 -11.715 2.114) 12.918 14.394 ( -5.965 -8.775 -1.330) 10.693 14.526 ( 2.357 -12.637 1.452) 12.936 14.564 ( 1.751 -13.928 -2.411) 14.243 15.063 ( -2.040 3.021 4.087) 5.477 15.120 ( -3.134 2.551 -0.864) 4.132 15.181 ( -4.289 -0.878 -0.487) 4.405 15.200 ( -5.655 0.127 -2.367) 6.131 15.254 ( -0.106 3.096 0.181) 3.103 15.276 ( 0.116 1.871 -1.651) 2.498 15.491 ( -1.107 -4.897 0.630) 5.060 15.515 ( -0.664 -5.270 -1.805) 5.610 15.678 ( -1.048 1.047 0.301) 1.512 15.685 ( -0.972 1.467 -0.448) 1.816 15.781 ( -0.945 1.071 1.315) 1.941 15.805 ( -0.873 0.588 -1.133) 1.547 16.133 ( 2.478 4.263 0.888) 5.010 16.152 ( 4.554 3.574 -0.996) 5.874 16.219 ( 1.854 -0.422 0.455) 1.955 16.236 ( 2.096 -0.880 -1.163) 2.553 16.363 ( 4.708 -4.721 0.568) 6.692 16.378 ( 4.795 -5.369 -0.892) 7.253 16.560 ( -0.359 -5.808 0.802) 5.875 16.564 ( -0.591 -5.653 0.619) 5.718 17.723 ( -0.044 -5.259 0.905) 5.337 17.731 ( -0.148 -5.093 0.087) 5.095 17.813 ( -0.097 -8.322 0.127) 8.324 17.819 ( -0.211 -9.275 -0.481) 9.290 18.520 ( 0.466 -3.702 0.346) 3.747 18.526 ( 0.617 -4.063 -0.342) 4.123 18.598 ( -0.752 -2.790 0.734) 2.981 18.612 ( -0.802 -3.444 -0.816) 3.629 ======================= Grid point 289 (103/108) ======================= q-point: ( 0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( 2.387 7.832 3.112) 8.759 4.463 ( 0.555 4.841 -3.511) 6.006 4.582 ( -3.104 -0.059 1.116) 3.300 4.613 ( -3.176 -1.330 -2.051) 4.007 5.368 ( 0.117 11.879 1.033) 11.925 5.397 ( -1.360 9.613 -1.968) 9.906 5.504 ( 0.951 4.748 0.680) 4.890 5.519 ( 0.298 3.596 -1.048) 3.757 5.727 ( 3.156 13.459 2.835) 14.112 5.762 ( 1.474 13.177 -0.738) 13.280 6.069 ( -1.803 2.875 1.567) 3.738 6.099 ( -2.952 3.656 -1.218) 4.854 6.237 ( 1.042 12.344 1.513) 12.480 6.267 ( -0.247 12.645 -1.442) 12.729 6.388 ( -0.486 15.414 1.647) 15.509 6.428 ( -1.896 15.087 -2.334) 15.384 6.551 ( 3.610 1.338 3.454) 5.173 6.602 ( 2.930 0.086 -1.663) 3.370 6.708 ( 0.554 -0.488 5.213) 5.265 6.794 ( -1.459 -4.018 -3.151) 5.311 6.921 ( 4.315 -3.590 3.614) 6.676 6.990 ( 1.630 -4.003 -2.649) 5.070 7.163 ( 2.266 -3.980 1.541) 4.832 7.214 ( -0.304 -3.268 -3.086) 4.505 7.315 ( -1.217 -2.836 0.049) 3.087 7.338 ( -1.053 -0.688 -1.611) 2.044 7.443 ( 0.123 -2.032 -0.208) 2.047 7.463 ( -0.410 -3.132 -2.102) 3.794 8.385 ( 4.575 8.809 2.126) 10.151 8.416 ( 4.370 7.189 -1.009) 8.473 8.606 ( -6.828 7.355 2.544) 10.353 8.639 ( -7.102 5.657 -1.044) 9.140 9.206 ( 3.975 17.113 1.145) 17.606 9.237 ( 2.849 16.295 -2.085) 16.673 9.334 ( -1.603 15.182 -0.035) 15.266 9.352 ( -1.670 14.560 -1.984) 14.789 9.666 ( 4.188 20.871 1.278) 21.325 9.688 ( 3.188 20.276 -1.326) 20.568 9.926 ( -3.397 13.463 0.892) 13.913 9.930 ( -3.279 13.167 0.527) 13.579 11.795 ( 0.107 3.961 2.939) 4.933 11.849 ( -2.272 3.749 -2.640) 5.117 12.171 ( 4.901 -11.251 3.196) 12.681 12.231 ( 2.405 -11.752 -3.011) 12.368 13.460 ( 2.670 3.896 1.440) 4.937 13.490 ( 2.370 3.303 -1.535) 4.345 13.626 ( -3.908 2.452 1.181) 4.762 13.650 ( -3.736 2.356 -1.229) 4.585 13.944 ( 4.341 -0.403 2.509) 5.030 13.982 ( 2.424 1.685 -1.413) 3.273 14.113 ( -0.167 7.508 1.675) 7.695 14.128 ( 1.076 3.438 0.018) 3.602 14.262 ( -5.132 -7.647 -0.171) 9.211 14.270 ( -7.098 -5.452 -0.846) 8.990 14.561 ( 1.461 -13.775 1.049) 13.892 14.584 ( 0.433 -14.325 -1.258) 14.387 15.018 ( -2.405 1.204 2.980) 4.014 15.047 ( -4.356 0.838 1.028) 4.553 15.075 ( -5.032 -1.009 -2.220) 5.592 15.078 ( -5.657 -0.816 -1.743) 5.976 15.271 ( 1.291 3.560 0.744) 3.859 15.287 ( 0.593 3.555 -0.843) 3.701 15.484 ( 0.262 -5.038 -0.213) 5.050 15.504 ( -0.473 -4.911 -2.245) 5.421 15.667 ( -0.144 1.019 0.391) 1.100 15.674 ( -0.320 1.059 -0.337) 1.156 15.773 ( -0.008 -2.390 0.695) 2.489 15.791 ( -0.702 -2.442 -1.032) 2.742 16.172 ( 2.220 6.445 1.742) 7.035 16.209 ( 1.758 5.872 -2.058) 6.466 16.259 ( 1.625 2.126 1.317) 2.982 16.286 ( 1.600 1.561 -1.422) 2.649 16.454 ( 4.385 -5.293 0.779) 6.917 16.466 ( 4.083 -5.818 -0.453) 7.122 16.552 ( -0.325 -7.091 0.728) 7.136 16.558 ( -0.147 -7.428 0.138) 7.431 17.723 ( 0.019 -5.149 0.747) 5.203 17.728 ( -0.211 -5.056 0.243) 5.066 17.811 ( -0.071 -8.409 -0.042) 8.409 17.814 ( -0.237 -8.960 -0.371) 8.971 18.533 ( 0.943 -3.499 0.485) 3.656 18.542 ( 1.068 -3.924 -0.492) 4.096 18.579 ( -1.194 -3.017 0.683) 3.316 18.592 ( -1.295 -3.596 -0.725) 3.891 ======================= Grid point 290 (104/108) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.447 ( -2.393 5.826 0.841) 6.354 4.447 ( 2.393 5.826 0.841) 6.354 4.564 ( -1.503 -0.469 -1.715) 2.328 4.564 ( 1.503 -0.469 -1.715) 2.328 5.377 ( -0.778 10.565 -0.577) 10.609 5.377 ( 0.778 10.565 -0.577) 10.609 5.517 ( -0.472 3.684 -0.063) 3.714 5.517 ( 0.472 3.684 -0.063) 3.714 5.771 ( -0.994 13.365 1.522) 13.488 5.771 ( 0.994 13.365 1.522) 13.488 6.055 ( -0.926 4.707 0.405) 4.815 6.055 ( 0.926 4.707 0.405) 4.815 6.256 ( -0.897 12.049 0.071) 12.082 6.256 ( 0.897 12.049 0.071) 12.082 6.397 ( -1.249 15.144 -0.907) 15.222 6.397 ( 1.249 15.144 -0.907) 15.222 6.610 ( -2.057 -0.790 3.200) 3.885 6.610 ( 2.057 -0.790 3.200) 3.885 6.748 ( -3.084 0.103 -0.716) 3.168 6.748 ( 3.084 0.103 -0.716) 3.168 6.988 ( -2.192 -3.518 0.581) 4.186 6.988 ( 2.192 -3.518 0.581) 4.186 7.195 ( -1.469 -7.166 -2.072) 7.603 7.195 ( 1.469 -7.166 -2.072) 7.603 7.315 ( -1.083 1.518 0.506) 1.933 7.315 ( 1.083 1.518 0.506) 1.933 7.453 ( -0.650 -2.954 -1.913) 3.579 7.453 ( 0.650 -2.954 -1.913) 3.579 8.484 ( -5.489 7.605 2.215) 9.638 8.484 ( 5.489 7.605 2.215) 9.638 8.516 ( -5.606 6.071 -0.724) 8.296 8.516 ( 5.606 6.071 -0.724) 8.296 9.260 ( -1.248 17.457 -0.543) 17.510 9.260 ( 1.248 17.457 -0.543) 17.510 9.321 ( -1.034 14.620 -1.185) 14.704 9.321 ( 1.034 14.620 -1.185) 14.704 9.722 ( -0.749 21.326 0.534) 21.345 9.722 ( 0.749 21.326 0.534) 21.345 9.887 ( -0.317 12.440 0.372) 12.450 9.887 ( 0.317 12.440 0.372) 12.450 11.811 ( -1.557 5.330 0.310) 5.562 11.811 ( 1.557 5.330 0.310) 5.562 12.239 ( -1.792 -13.075 -0.143) 13.198 12.239 ( 1.792 -13.075 -0.143) 13.198 13.497 ( -1.374 2.259 1.065) 2.851 13.497 ( 1.374 2.259 1.065) 2.851 13.599 ( -1.214 1.192 -0.969) 1.958 13.599 ( 1.214 1.192 -0.969) 1.958 14.020 ( -1.055 2.136 0.085) 2.384 14.020 ( 1.055 2.136 0.085) 2.384 14.121 ( -2.854 3.037 3.091) 5.189 14.121 ( 2.854 3.037 3.091) 5.189 14.188 ( -1.559 -1.781 -2.517) 3.455 14.188 ( 1.559 -1.781 -2.517) 3.455 14.581 ( -0.673 -14.314 0.041) 14.330 14.581 ( 0.673 -14.314 0.041) 14.330 14.992 ( -0.528 0.184 1.441) 1.546 14.992 ( 0.528 0.184 1.441) 1.546 15.027 ( -0.264 -1.169 -1.439) 1.873 15.027 ( 0.264 -1.169 -1.439) 1.873 15.289 ( -0.489 3.775 0.084) 3.808 15.289 ( 0.489 3.775 0.084) 3.808 15.494 ( -0.637 -4.608 -1.303) 4.831 15.494 ( 0.637 -4.608 -1.303) 4.831 15.669 ( -0.240 0.787 0.038) 0.824 15.669 ( 0.240 0.787 0.038) 0.824 15.779 ( -0.527 -3.911 -0.412) 3.968 15.779 ( 0.527 -3.911 -0.412) 3.968 16.212 ( -1.568 6.449 0.952) 6.705 16.212 ( 1.568 6.449 0.952) 6.705 16.283 ( -1.263 3.695 -0.920) 4.012 16.283 ( 1.263 3.695 -0.920) 4.012 16.506 ( -0.534 -5.420 0.319) 5.456 16.506 ( 0.534 -5.420 0.319) 5.456 16.551 ( -0.388 -8.411 0.186) 8.422 16.551 ( 0.388 -8.411 0.186) 8.422 17.724 ( -0.148 -5.059 0.496) 5.085 17.724 ( 0.148 -5.059 0.496) 5.085 17.811 ( -0.086 -8.632 -0.221) 8.636 17.811 ( 0.086 -8.632 -0.221) 8.636 18.553 ( -1.022 -3.220 0.465) 3.410 18.553 ( 1.022 -3.220 0.465) 3.410 18.568 ( -1.131 -3.808 -0.483) 4.001 18.568 ( 1.131 -3.808 -0.483) 4.001 ======================= Grid point 294 (105/108) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.480 ( 0.000 -2.263 0.115) 2.266 4.480 ( 0.000 2.263 0.115) 2.266 4.661 ( 0.000 -0.114 0.014) 0.115 4.661 ( 0.000 0.114 0.014) 0.115 5.522 ( 0.000 -1.928 -0.011) 1.928 5.522 ( 0.000 1.928 -0.011) 1.928 5.527 ( 0.000 -0.680 -0.307) 0.746 5.527 ( 0.000 0.680 -0.307) 0.746 5.908 ( 0.000 -5.740 -0.040) 5.740 5.908 ( 0.000 5.740 -0.040) 5.740 6.042 ( 0.000 -4.855 -0.909) 4.940 6.042 ( 0.000 4.855 -0.909) 4.940 6.422 ( 0.000 -0.450 3.310) 3.341 6.422 ( 0.000 0.450 3.310) 3.341 6.493 ( 0.000 -1.345 0.298) 1.378 6.493 ( 0.000 1.345 0.298) 1.378 6.620 ( 0.000 -3.839 -0.282) 3.849 6.620 ( 0.000 3.839 -0.282) 3.849 6.726 ( 0.000 -1.993 0.151) 1.998 6.726 ( 0.000 1.993 0.151) 1.998 6.832 ( 0.000 -5.288 -2.350) 5.787 6.832 ( 0.000 5.288 -2.350) 5.787 7.103 ( 0.000 -5.380 0.003) 5.380 7.103 ( 0.000 5.380 0.003) 5.380 7.274 ( 0.000 -0.064 -0.689) 0.692 7.274 ( 0.000 0.064 -0.689) 0.692 7.467 ( 0.000 -0.377 0.467) 0.600 7.467 ( 0.000 0.377 0.467) 0.600 8.411 ( 0.000 -0.875 0.370) 0.950 8.411 ( 0.000 0.875 0.370) 0.950 8.891 ( 0.000 -0.186 -0.142) 0.234 8.891 ( 0.000 0.186 -0.142) 0.234 9.252 ( 0.000 -1.789 0.840) 1.977 9.252 ( 0.000 1.789 0.840) 1.977 9.522 ( 0.000 -0.100 -1.530) 1.533 9.522 ( 0.000 0.100 -1.530) 1.533 9.817 ( 0.000 -1.817 -1.051) 2.099 9.817 ( 0.000 1.817 -1.051) 2.099 10.147 ( 0.000 -0.457 1.437) 1.508 10.147 ( 0.000 0.457 1.437) 1.508 11.830 ( 0.000 -1.279 2.471) 2.783 11.830 ( 0.000 1.279 2.471) 2.783 12.040 ( 0.000 -1.498 -2.021) 2.516 12.040 ( 0.000 1.498 -2.021) 2.516 13.544 ( 0.000 -2.204 -0.521) 2.265 13.544 ( 0.000 2.204 -0.521) 2.265 13.678 ( 0.000 -1.288 0.540) 1.397 13.678 ( 0.000 1.288 0.540) 1.397 14.068 ( 0.000 -13.978 1.478) 14.056 14.068 ( 0.000 13.978 1.478) 14.056 14.089 ( 0.000 -8.629 -0.702) 8.658 14.089 ( 0.000 8.629 -0.702) 8.658 14.282 ( 0.000 -5.455 0.807) 5.514 14.282 ( 0.000 5.455 0.807) 5.514 14.347 ( 0.000 -0.288 -1.020) 1.060 14.347 ( 0.000 0.288 -1.020) 1.060 15.149 ( 0.000 -2.261 0.969) 2.460 15.149 ( 0.000 2.261 0.969) 2.460 15.246 ( 0.000 -1.450 -0.480) 1.528 15.246 ( 0.000 1.450 -0.480) 1.528 15.304 ( 0.000 -0.533 -1.805) 1.882 15.304 ( 0.000 0.533 -1.805) 1.882 15.437 ( 0.000 -0.697 0.171) 0.717 15.437 ( 0.000 0.697 0.171) 0.717 15.713 ( 0.000 -0.449 0.051) 0.452 15.713 ( 0.000 0.449 0.051) 0.452 15.843 ( 0.000 -0.338 0.093) 0.350 15.843 ( 0.000 0.338 0.093) 0.350 16.141 ( 0.000 -2.346 0.402) 2.380 16.141 ( 0.000 2.346 0.402) 2.380 16.156 ( 0.000 -2.593 -0.224) 2.602 16.156 ( 0.000 2.593 -0.224) 2.602 16.284 ( 0.000 -0.445 -1.219) 1.298 16.284 ( 0.000 0.445 -1.219) 1.298 16.510 ( 0.000 -0.338 1.162) 1.210 16.510 ( 0.000 0.338 1.162) 1.210 17.688 ( 0.000 -1.123 0.105) 1.128 17.688 ( 0.000 1.123 0.105) 1.128 17.708 ( 0.000 -0.745 0.177) 0.766 17.708 ( 0.000 0.745 0.177) 0.766 18.478 ( 0.000 -0.098 -0.037) 0.105 18.478 ( 0.000 0.098 -0.037) 0.105 18.581 ( 0.000 -0.406 -0.078) 0.414 18.581 ( 0.000 0.406 -0.078) 0.414 ======================= Grid point 296 (106/108) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.483 ( 0.363 -2.153 0.004) 2.184 4.483 ( 0.363 2.153 0.004) 2.184 4.638 ( -2.324 -0.595 -0.156) 2.404 4.638 ( -2.324 0.595 -0.156) 2.404 5.517 ( -0.473 -1.855 -0.012) 1.915 5.517 ( -0.473 1.855 -0.012) 1.915 5.525 ( -0.290 -1.220 -0.358) 1.304 5.525 ( -0.290 1.220 -0.358) 1.304 5.924 ( 1.641 -5.677 0.538) 5.934 5.924 ( 1.641 5.677 0.538) 5.934 6.045 ( 0.098 -5.480 -0.500) 5.504 6.045 ( 0.098 5.480 -0.500) 5.504 6.426 ( 0.502 -4.139 3.731) 5.595 6.426 ( 0.502 4.139 3.731) 5.595 6.494 ( 0.009 -2.649 -1.171) 2.897 6.494 ( 0.009 2.649 -1.171) 2.897 6.627 ( 0.867 -2.279 -0.210) 2.447 6.627 ( 0.867 2.279 -0.210) 2.447 6.721 ( -0.129 -2.169 -0.298) 2.193 6.721 ( -0.129 2.169 -0.298) 2.193 6.867 ( 3.215 -4.434 -1.527) 5.686 6.867 ( 3.215 4.434 -1.527) 5.686 7.103 ( -0.168 -4.637 -0.098) 4.641 7.103 ( -0.168 4.637 -0.098) 4.641 7.292 ( 1.809 -1.273 -0.606) 2.294 7.292 ( 1.809 1.273 -0.606) 2.294 7.449 ( -1.752 -0.463 0.352) 1.846 7.449 ( -1.752 0.463 0.352) 1.846 8.429 ( 1.869 -0.832 0.427) 2.089 8.429 ( 1.869 0.832 0.427) 2.089 8.818 ( -6.512 -0.774 0.121) 6.559 8.818 ( -6.512 0.774 0.121) 6.559 9.310 ( 4.808 -1.534 0.375) 5.061 9.310 ( 4.808 1.534 0.375) 5.061 9.516 ( -0.639 -0.376 -1.514) 1.685 9.516 ( -0.639 0.376 -1.514) 1.685 9.836 ( 2.075 -1.413 -0.763) 2.623 9.836 ( 2.075 1.413 -0.763) 2.623 10.124 ( -2.387 -0.311 1.398) 2.784 10.124 ( -2.387 0.311 1.398) 2.784 11.855 ( 2.639 -2.979 2.108) 4.503 11.855 ( 2.639 2.979 2.108) 4.503 12.038 ( -0.295 -3.149 -1.704) 3.593 12.038 ( -0.295 3.149 -1.704) 3.593 13.546 ( 0.147 -1.849 -0.509) 1.923 13.546 ( 0.147 1.849 -0.509) 1.923 13.661 ( -1.852 -0.652 0.506) 2.028 13.661 ( -1.852 0.652 0.506) 2.028 14.064 ( -0.083 -13.568 1.616) 13.664 14.064 ( -0.083 13.568 1.616) 13.664 14.088 ( 0.070 -9.228 -0.797) 9.263 14.088 ( 0.070 9.228 -0.797) 9.263 14.287 ( 0.446 -6.142 0.565) 6.184 14.287 ( 0.446 6.142 0.565) 6.184 14.340 ( -0.650 -3.921 -0.796) 4.054 14.340 ( -0.650 3.921 -0.796) 4.054 15.123 ( -2.982 -2.419 0.821) 3.927 15.123 ( -2.982 2.419 0.821) 3.927 15.179 ( -6.077 -1.312 -0.423) 6.232 15.179 ( -6.077 1.312 -0.423) 6.232 15.323 ( 1.550 -1.161 -1.406) 2.393 15.323 ( 1.550 1.161 -1.406) 2.393 15.415 ( -1.573 -1.372 -0.268) 2.105 15.415 ( -1.573 1.372 -0.268) 2.105 15.704 ( -0.750 -0.432 0.025) 0.866 15.704 ( -0.750 0.432 0.025) 0.866 15.802 ( -3.219 -0.812 0.120) 3.322 15.802 ( -3.219 0.812 0.120) 3.322 16.206 ( 5.227 -1.776 0.217) 5.525 16.206 ( 5.227 1.776 0.217) 5.525 16.212 ( 5.046 -2.203 -0.167) 5.508 16.212 ( 5.046 2.203 -0.167) 5.508 16.308 ( 2.575 -0.561 -0.861) 2.772 16.308 ( 2.575 0.561 -0.861) 2.772 16.498 ( -1.313 -0.239 1.058) 1.703 16.498 ( -1.313 0.239 1.058) 1.703 17.688 ( 0.039 -1.094 0.104) 1.099 17.688 ( 0.039 1.094 0.104) 1.099 17.706 ( -0.175 -0.763 0.168) 0.801 17.706 ( -0.175 0.763 0.168) 0.801 18.483 ( 0.596 -0.159 -0.041) 0.618 18.483 ( 0.596 0.159 -0.041) 0.618 18.573 ( -0.850 -0.394 -0.073) 0.940 18.573 ( -0.850 0.394 -0.073) 0.940 ======================= Grid point 298 (107/108) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.497 ( 1.206 -1.862 -0.245) 2.232 4.497 ( 1.206 1.862 -0.245) 2.232 4.584 ( -3.136 -1.071 -0.414) 3.340 4.584 ( -3.136 1.071 -0.414) 3.340 5.510 ( -0.165 -1.828 -0.095) 1.838 5.510 ( -0.165 1.828 -0.095) 1.838 5.518 ( -0.402 -1.500 -0.334) 1.588 5.518 ( -0.402 1.500 -0.334) 1.588 5.963 ( 2.330 -4.981 1.369) 5.667 5.963 ( 2.330 4.981 1.369) 5.667 6.036 ( -1.143 -5.271 0.626) 5.430 6.036 ( -1.143 5.271 0.626) 5.430 6.442 ( 1.167 -6.326 2.665) 6.963 6.442 ( 1.167 6.326 2.665) 6.963 6.488 ( -0.805 -6.528 -1.515) 6.750 6.488 ( -0.805 6.528 -1.515) 6.750 6.657 ( 2.233 -0.677 -0.534) 2.394 6.657 ( 2.233 0.677 -0.534) 2.394 6.720 ( -0.370 -1.904 -0.742) 2.077 6.720 ( -0.370 1.904 -0.742) 2.077 6.938 ( 4.293 -2.985 -0.655) 5.269 6.938 ( 4.293 2.985 -0.655) 5.269 7.084 ( -2.151 -2.991 -0.195) 3.689 7.084 ( -2.151 2.991 -0.195) 3.689 7.334 ( 2.415 -1.664 -0.447) 2.967 7.334 ( 2.415 1.664 -0.447) 2.967 7.411 ( -2.068 -0.805 0.034) 2.219 7.411 ( -2.068 0.805 0.034) 2.219 8.481 ( 3.756 -0.745 0.529) 3.865 8.481 ( 3.756 0.745 0.529) 3.865 8.687 ( -7.000 -0.845 0.398) 7.062 8.687 ( -7.000 0.845 0.398) 7.062 9.395 ( 3.940 -0.967 -0.410) 4.078 9.395 ( 3.940 0.967 -0.410) 4.078 9.496 ( -1.635 -0.545 -1.392) 2.215 9.496 ( -1.635 0.545 -1.392) 2.215 9.895 ( 4.139 -0.714 -0.039) 4.201 9.895 ( 4.139 0.714 -0.039) 4.201 10.063 ( -3.982 -0.051 1.190) 4.157 10.063 ( -3.982 0.051 1.190) 4.157 11.919 ( 3.820 -5.069 1.216) 6.462 11.919 ( 3.820 5.069 1.216) 6.462 12.025 ( -1.309 -5.228 -0.898) 5.464 12.025 ( -1.309 5.228 -0.898) 5.464 13.548 ( 0.205 -1.451 -0.310) 1.498 13.548 ( 0.205 1.451 -0.310) 1.498 13.612 ( -3.052 -0.566 0.334) 3.122 13.612 ( -3.052 0.566 0.334) 3.122 14.076 ( 1.304 -9.697 1.286) 9.868 14.076 ( 1.304 9.697 1.286) 9.868 14.096 ( 0.628 -6.976 -0.519) 7.024 14.096 ( 0.628 6.976 -0.519) 7.024 14.295 ( 0.357 -6.170 0.137) 6.182 14.295 ( 0.357 6.170 0.137) 6.182 14.324 ( -1.054 -5.641 -0.348) 5.749 14.324 ( -1.054 5.641 -0.348) 5.749 15.047 ( -4.280 -1.563 0.693) 4.609 15.047 ( -4.280 1.563 0.693) 4.609 15.061 ( -5.453 -0.697 -0.387) 5.511 15.061 ( -5.453 0.697 -0.387) 5.511 15.356 ( 1.838 -2.452 -0.736) 3.152 15.356 ( 1.838 2.452 -0.736) 3.152 15.398 ( -0.464 -2.605 -0.895) 2.793 15.398 ( -0.464 2.605 -0.895) 2.793 15.695 ( 0.019 -0.556 -0.072) 0.560 15.695 ( 0.019 0.556 -0.072) 0.560 15.747 ( -2.590 -0.915 -0.056) 2.747 15.747 ( -2.590 0.915 -0.056) 2.747 16.291 ( 3.589 -2.666 0.012) 4.471 16.291 ( 3.589 2.666 0.012) 4.471 16.303 ( 3.900 -0.618 -0.007) 3.948 16.303 ( 3.900 0.618 -0.007) 3.948 16.371 ( 3.559 -1.373 -0.174) 3.818 16.371 ( 3.559 1.373 -0.174) 3.818 16.464 ( -2.157 -0.230 0.736) 2.290 16.464 ( -2.157 0.230 0.736) 2.290 17.690 ( 0.177 -1.015 0.107) 1.036 17.690 ( 0.177 1.015 0.107) 1.036 17.701 ( -0.310 -0.821 0.147) 0.890 17.701 ( -0.310 0.821 0.147) 0.890 18.500 ( 1.129 -0.247 -0.049) 1.157 18.500 ( 1.129 0.247 -0.049) 1.157 18.551 ( -1.387 -0.363 -0.064) 1.435 18.551 ( -1.387 0.363 -0.064) 1.435 ======================= Grid point 300 (108/108) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -1.818 -2.665 -0.444) 3.256 4.530 ( 0.277 -2.509 -0.444) 2.563 4.530 ( -0.277 2.509 -0.444) 2.563 4.530 ( 1.818 2.665 -0.444) 3.256 5.511 ( -0.130 -3.470 -0.222) 3.479 5.511 ( 0.116 -3.469 -0.222) 3.478 5.511 ( -0.116 3.469 -0.222) 3.478 5.511 ( 0.130 3.470 -0.222) 3.479 6.005 ( -1.272 -8.613 1.460) 8.828 6.005 ( 0.903 -8.601 1.460) 8.771 6.005 ( -0.903 8.601 1.460) 8.771 6.005 ( 1.272 8.613 1.460) 8.828 6.467 ( -1.290 -7.110 0.347) 7.234 6.467 ( 1.273 -7.109 0.347) 7.231 6.467 ( -1.273 7.109 0.347) 7.231 6.467 ( 1.290 7.110 0.347) 7.234 6.699 ( -0.787 -6.000 -0.884) 6.116 6.699 ( 0.243 -5.989 -0.884) 6.059 6.699 ( -0.243 5.989 -0.884) 6.059 6.699 ( 0.787 6.000 -0.884) 6.116 7.021 ( -2.161 -7.406 -0.267) 7.719 7.021 ( -0.036 -7.327 -0.267) 7.332 7.021 ( 0.036 7.327 -0.267) 7.332 7.021 ( 2.161 7.406 -0.267) 7.719 7.375 ( -1.018 -3.934 -0.274) 4.073 7.375 ( 0.177 -3.902 -0.274) 3.916 7.375 ( -0.177 3.902 -0.274) 3.916 7.375 ( 1.018 3.934 -0.274) 4.073 8.568 ( -5.566 -0.775 0.539) 5.645 8.568 ( -5.509 0.667 0.539) 5.575 8.568 ( 5.509 -0.667 0.539) 5.575 8.568 ( 5.566 0.775 0.539) 5.645 9.455 ( -2.131 -1.335 -1.046) 2.723 9.455 ( -1.202 -1.004 -1.046) 1.884 9.455 ( 1.202 1.004 -1.046) 1.884 9.455 ( 2.131 1.335 -1.046) 2.723 9.981 ( -2.703 -3.387 0.701) 4.390 9.981 ( -2.181 -3.292 0.701) 4.010 9.981 ( 2.181 3.292 0.701) 4.010 9.981 ( 2.703 3.387 0.701) 4.390 11.985 ( -1.834 -11.328 0.140) 11.476 11.985 ( 1.268 -11.309 0.140) 11.380 11.985 ( -1.268 11.309 0.140) 11.380 11.985 ( 1.834 11.328 0.140) 11.476 13.564 ( -0.875 -3.623 0.036) 3.727 13.564 ( 0.137 -3.597 0.036) 3.599 13.564 ( -0.137 3.597 0.036) 3.599 13.564 ( 0.875 3.623 0.036) 3.727 14.098 ( -0.600 -4.238 0.347) 4.294 14.098 ( 0.579 -4.237 0.347) 4.291 14.098 ( -0.579 4.237 0.347) 4.291 14.098 ( 0.600 4.238 0.347) 4.294 14.305 ( -0.420 -11.903 -0.100) 11.911 14.305 ( 0.375 -11.903 -0.100) 11.909 14.305 ( -0.375 11.903 -0.100) 11.909 14.305 ( 0.420 11.903 -0.100) 11.911 15.004 ( -0.262 -0.951 0.153) 0.998 15.004 ( 0.220 -0.948 0.153) 0.985 15.004 ( -0.220 0.948 0.153) 0.985 15.004 ( 0.262 0.951 0.153) 0.998 15.385 ( -0.674 -5.488 -0.780) 5.583 15.385 ( 0.510 -5.483 -0.780) 5.562 15.385 ( -0.510 5.483 -0.780) 5.562 15.385 ( 0.674 5.488 -0.780) 5.583 15.709 ( -0.680 -2.813 -0.172) 2.899 15.709 ( 0.030 -2.793 -0.172) 2.798 15.709 ( -0.030 2.793 -0.172) 2.798 15.709 ( 0.680 2.813 -0.172) 2.899 16.335 ( -0.480 -3.014 0.125) 3.055 16.335 ( 0.393 -3.011 0.125) 3.039 16.335 ( -0.393 3.011 0.125) 3.039 16.335 ( 0.480 3.014 0.125) 3.055 16.423 ( -1.846 -1.769 0.237) 2.568 16.423 ( 0.122 -1.511 0.237) 1.534 16.423 ( -0.122 1.511 0.237) 1.534 16.423 ( 1.846 1.769 0.237) 2.568 17.695 ( -0.139 -2.380 0.122) 2.387 17.695 ( 0.103 -2.380 0.122) 2.385 17.695 ( -0.103 2.380 0.122) 2.385 17.695 ( 0.139 2.380 0.122) 2.387 18.524 ( -1.413 -0.368 -0.056) 1.461 18.524 ( -1.235 0.131 -0.056) 1.243 18.524 ( 1.235 -0.131 -0.056) 1.243 18.524 ( 1.413 0.368 -0.056) 1.461 =================== 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 3/40320 10.0 10223.202 8992.656 7415.857 0.000 0.000 0.000 3/40320 20.0 1399.470 2410.364 1943.450 0.000 0.000 -0.000 3/40320 30.0 422.084 870.574 629.484 0.000 0.000 -0.000 3/40320 40.0 178.010 400.803 264.803 0.000 0.000 -0.000 3/40320 50.0 95.633 234.830 140.553 0.000 0.000 0.000 3/40320 60.0 60.669 162.766 88.383 0.000 0.000 0.000 3/40320 70.0 42.994 125.079 62.295 0.000 0.000 0.000 3/40320 80.0 32.808 102.196 47.376 0.000 0.000 0.000 3/40320 90.0 26.335 86.680 37.939 0.000 0.000 0.000 3/40320 100.0 21.910 75.326 31.503 0.000 0.000 0.000 3/40320 110.0 18.716 66.584 26.860 0.000 0.000 0.000 3/40320 120.0 16.312 59.620 23.364 0.000 0.000 0.000 3/40320 130.0 14.444 53.935 20.646 0.000 0.000 0.000 3/40320 140.0 12.956 49.210 18.476 0.000 0.000 0.000 3/40320 150.0 11.744 45.227 16.708 0.000 0.000 0.000 3/40320 160.0 10.740 41.828 15.242 0.000 0.000 0.000 3/40320 170.0 9.897 38.899 14.009 0.000 0.000 0.000 3/40320 180.0 9.178 36.351 12.959 0.000 0.000 0.000 3/40320 190.0 8.560 34.116 12.055 0.000 0.000 0.000 3/40320 200.0 8.022 32.142 11.269 0.000 0.000 0.000 3/40320 210.0 7.550 30.386 10.580 0.000 0.000 0.000 3/40320 220.0 7.133 28.816 9.972 0.000 0.000 0.000 3/40320 230.0 6.761 27.402 9.430 0.000 0.000 0.000 3/40320 240.0 6.427 26.124 8.946 0.000 0.000 0.000 3/40320 250.0 6.127 24.963 8.510 0.000 0.000 0.000 3/40320 260.0 5.854 23.903 8.115 0.000 0.000 0.000 3/40320 270.0 5.606 22.931 7.757 0.000 0.000 0.000 3/40320 280.0 5.379 22.038 7.429 0.000 0.000 0.000 3/40320 290.0 5.171 21.214 7.129 0.000 0.000 0.000 3/40320 300.0 4.978 20.451 6.853 0.000 0.000 0.000 3/40320 310.0 4.800 19.742 6.598 0.000 0.000 0.000 3/40320 320.0 4.635 19.082 6.362 0.000 0.000 0.000 3/40320 330.0 4.482 18.467 6.143 0.000 0.000 0.000 3/40320 340.0 4.338 17.890 5.939 0.000 0.000 0.000 3/40320 350.0 4.204 17.350 5.748 0.000 0.000 0.000 3/40320 360.0 4.078 16.842 5.570 0.000 0.000 0.000 3/40320 370.0 3.960 16.364 5.402 0.000 0.000 0.000 3/40320 380.0 3.848 15.912 5.245 0.000 0.000 0.000 3/40320 390.0 3.743 15.486 5.097 0.000 0.000 0.000 3/40320 400.0 3.644 15.082 4.957 0.000 0.000 0.000 3/40320 410.0 3.550 14.700 4.825 0.000 0.000 0.000 3/40320 420.0 3.461 14.337 4.700 0.000 0.000 0.000 3/40320 430.0 3.376 13.991 4.582 0.000 0.000 0.000 3/40320 440.0 3.296 13.663 4.469 0.000 0.000 0.000 3/40320 450.0 3.219 13.349 4.362 0.000 0.000 0.000 3/40320 460.0 3.146 13.050 4.260 0.000 0.000 0.000 3/40320 470.0 3.076 12.764 4.163 0.000 0.000 0.000 3/40320 480.0 3.009 12.491 4.071 0.000 0.000 0.000 3/40320 490.0 2.946 12.230 3.982 0.000 0.000 0.000 3/40320 500.0 2.885 11.979 3.898 0.000 0.000 0.000 3/40320 510.0 2.826 11.739 3.817 0.000 0.000 0.000 3/40320 520.0 2.770 11.508 3.739 0.000 0.000 0.000 3/40320 530.0 2.716 11.286 3.664 0.000 0.000 0.000 3/40320 540.0 2.664 11.073 3.593 0.000 0.000 0.000 3/40320 550.0 2.614 10.868 3.524 0.000 0.000 0.000 3/40320 560.0 2.566 10.670 3.458 0.000 0.000 0.000 3/40320 570.0 2.520 10.480 3.394 0.000 0.000 0.000 3/40320 580.0 2.475 10.296 3.333 0.000 0.000 0.000 3/40320 590.0 2.432 10.119 3.274 0.000 0.000 0.000 3/40320 600.0 2.391 9.947 3.217 0.000 0.000 0.000 3/40320 610.0 2.351 9.782 3.162 0.000 0.000 0.000 3/40320 620.0 2.312 9.622 3.109 0.000 0.000 0.000 3/40320 630.0 2.275 9.467 3.058 0.000 0.000 0.000 3/40320 640.0 2.238 9.317 3.008 0.000 0.000 0.000 3/40320 650.0 2.203 9.172 2.960 0.000 0.000 0.000 3/40320 660.0 2.169 9.032 2.914 0.000 0.000 0.000 3/40320 670.0 2.136 8.895 2.869 0.000 0.000 0.000 3/40320 680.0 2.104 8.763 2.825 0.000 0.000 0.000 3/40320 690.0 2.073 8.635 2.783 0.000 0.000 0.000 3/40320 700.0 2.043 8.510 2.742 0.000 0.000 0.000 3/40320 710.0 2.014 8.389 2.702 0.000 0.000 0.000 3/40320 720.0 1.986 8.272 2.663 0.000 0.000 0.000 3/40320 730.0 1.958 8.157 2.626 0.000 0.000 0.000 3/40320 740.0 1.931 8.046 2.589 0.000 0.000 0.000 3/40320 750.0 1.905 7.938 2.554 0.000 0.000 0.000 3/40320 760.0 1.880 7.833 2.519 0.000 0.000 0.000 3/40320 770.0 1.855 7.730 2.486 0.000 0.000 0.000 3/40320 780.0 1.831 7.631 2.453 0.000 0.000 0.000 3/40320 790.0 1.807 7.533 2.421 0.000 0.000 0.000 3/40320 800.0 1.784 7.439 2.390 0.000 0.000 0.000 3/40320 810.0 1.762 7.346 2.360 0.000 0.000 0.000 3/40320 820.0 1.740 7.256 2.331 0.000 0.000 0.000 3/40320 830.0 1.719 7.168 2.302 0.000 0.000 0.000 3/40320 840.0 1.698 7.082 2.274 0.000 0.000 0.000 3/40320 850.0 1.678 6.999 2.247 0.000 0.000 0.000 3/40320 860.0 1.659 6.917 2.220 0.000 0.000 0.000 3/40320 870.0 1.639 6.837 2.194 0.000 0.000 0.000 3/40320 880.0 1.621 6.759 2.168 0.000 0.000 0.000 3/40320 890.0 1.602 6.683 2.144 0.000 0.000 0.000 3/40320 900.0 1.584 6.608 2.119 0.000 0.000 0.000 3/40320 910.0 1.567 6.535 2.096 0.000 0.000 0.000 3/40320 920.0 1.549 6.464 2.072 0.000 0.000 0.000 3/40320 930.0 1.533 6.394 2.050 0.000 0.000 0.000 3/40320 940.0 1.516 6.326 2.028 0.000 0.000 0.000 3/40320 950.0 1.500 6.259 2.006 0.000 0.000 0.000 3/40320 960.0 1.484 6.193 1.985 0.000 0.000 0.000 3/40320 970.0 1.469 6.129 1.964 0.000 0.000 0.000 3/40320 980.0 1.454 6.067 1.943 0.000 0.000 0.000 3/40320 990.0 1.439 6.005 1.924 0.000 0.000 0.000 3/40320 1000.0 1.425 5.945 1.904 0.000 0.000 0.000 3/40320 Thermal conductivity related properties were written into "kappa-m6165.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:07:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|