----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:59:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.128991240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.183360769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.448933090000000 Atomic positions (fractional): *1 O 0.46486937049464 0.26996883106008 0.39091140878939 15.999 2 O 0.96486937049465 0.23003116893992 0.60908859121061 15.999 3 O 0.03513062950535 0.73003116893992 0.89091140878939 15.999 4 O 0.53513062950535 0.76996883106008 0.10908859121061 15.999 5 O 0.53513062950535 0.73003116893992 0.60908859121061 15.999 6 O 0.03513062950535 0.76996883106008 0.39091140878939 15.999 7 O 0.96486937049465 0.26996883106008 0.10908859121061 15.999 8 O 0.46486937049464 0.23003116893992 0.89091140878939 15.999 *9 O 0.81545798331041 0.01036462265038 0.85143477892672 15.999 10 O 0.31545798331041 0.48963537734962 0.14856522107328 15.999 11 O 0.68454201668959 0.98963537734962 0.35143477892672 15.999 12 O 0.18454201668959 0.51036462265038 0.64856522107328 15.999 13 O 0.18454201668959 0.98963537734962 0.14856522107328 15.999 14 O 0.68454201668959 0.51036462265038 0.85143477892672 15.999 15 O 0.31545798331041 0.01036462265038 0.64856522107328 15.999 16 O 0.81545798331041 0.48963537734962 0.35143477892672 15.999 *17 Ti 0.13837480407541 0.37106230180743 0.40434128549951 47.867 18 Ti 0.63837480407541 0.12893769819257 0.59565871450049 47.867 19 Ti 0.36162519592459 0.62893769819257 0.90434128549951 47.867 20 Ti 0.86162519592459 0.87106230180743 0.09565871450049 47.867 21 Ti 0.86162519592459 0.62893769819257 0.59565871450049 47.867 22 Ti 0.36162519592459 0.87106230180743 0.40434128549951 47.867 23 Ti 0.63837480407541 0.37106230180743 0.09565871450049 47.867 24 Ti 0.13837480407541 0.12893769819257 0.90434128549951 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.128991240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.183360769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.448933090000000 Atomic positions (fractional): *1 O 0.46486937049464 0.26996883106008 0.39091140878939 15.999 > 1 2 O 0.96486937049465 0.23003116893992 0.60908859121061 15.999 > 2 3 O 0.03513062950535 0.73003116893992 0.89091140878939 15.999 > 3 4 O 0.53513062950535 0.76996883106008 0.10908859121061 15.999 > 4 5 O 0.53513062950535 0.73003116893992 0.60908859121061 15.999 > 5 6 O 0.03513062950535 0.76996883106008 0.39091140878939 15.999 > 6 7 O 0.96486937049465 0.26996883106008 0.10908859121061 15.999 > 7 8 O 0.46486937049464 0.23003116893992 0.89091140878939 15.999 > 8 *9 O 0.81545798331041 0.01036462265038 0.85143477892672 15.999 > 9 10 O 0.31545798331041 0.48963537734962 0.14856522107328 15.999 > 10 11 O 0.68454201668959 0.98963537734962 0.35143477892672 15.999 > 11 12 O 0.18454201668959 0.51036462265038 0.64856522107328 15.999 > 12 13 O 0.18454201668959 0.98963537734962 0.14856522107328 15.999 > 13 14 O 0.68454201668959 0.51036462265038 0.85143477892672 15.999 > 14 15 O 0.31545798331041 0.01036462265038 0.64856522107328 15.999 > 15 16 O 0.81545798331041 0.48963537734962 0.35143477892672 15.999 > 16 *17 Ti 0.13837480407541 0.37106230180743 0.40434128549951 47.867 > 17 18 Ti 0.63837480407541 0.12893769819257 0.59565871450049 47.867 > 18 19 Ti 0.36162519592459 0.62893769819257 0.90434128549951 47.867 > 19 20 Ti 0.86162519592459 0.87106230180743 0.09565871450049 47.867 > 20 21 Ti 0.86162519592459 0.62893769819257 0.59565871450049 47.867 > 21 22 Ti 0.36162519592459 0.87106230180743 0.40434128549951 47.867 > 22 23 Ti 0.63837480407541 0.37106230180743 0.09565871450049 47.867 > 23 24 Ti 0.13837480407541 0.12893769819257 0.90434128549951 47.867 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.257982480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.183360769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.897866179999999 Atomic positions (fractional): *1 O 0.23243468524732 0.26996883106008 0.19545570439470 15.999 > 1 2 O 0.73243468524732 0.26996883106008 0.19545570439470 15.999 > 1 3 O 0.23243468524732 0.26996883106008 0.69545570439470 15.999 > 1 4 O 0.73243468524732 0.26996883106008 0.69545570439470 15.999 > 1 5 O 0.48243468524732 0.23003116893992 0.30454429560530 15.999 > 2 6 O 0.98243468524732 0.23003116893992 0.30454429560530 15.999 > 2 7 O 0.48243468524732 0.23003116893992 0.80454429560530 15.999 > 2 8 O 0.98243468524732 0.23003116893992 0.80454429560530 15.999 > 2 9 O 0.01756531475268 0.73003116893992 0.44545570439470 15.999 > 3 10 O 0.51756531475268 0.73003116893992 0.44545570439470 15.999 > 3 11 O 0.01756531475268 0.73003116893992 0.94545570439470 15.999 > 3 12 O 0.51756531475268 0.73003116893992 0.94545570439470 15.999 > 3 13 O 0.26756531475268 0.76996883106008 0.05454429560530 15.999 > 4 14 O 0.76756531475268 0.76996883106008 0.05454429560530 15.999 > 4 15 O 0.26756531475268 0.76996883106008 0.55454429560530 15.999 > 4 16 O 0.76756531475268 0.76996883106008 0.55454429560530 15.999 > 4 17 O 0.26756531475268 0.73003116893992 0.30454429560530 15.999 > 5 18 O 0.76756531475268 0.73003116893992 0.30454429560530 15.999 > 5 19 O 0.26756531475268 0.73003116893992 0.80454429560530 15.999 > 5 20 O 0.76756531475268 0.73003116893992 0.80454429560530 15.999 > 5 21 O 0.01756531475268 0.76996883106008 0.19545570439470 15.999 > 6 22 O 0.51756531475268 0.76996883106008 0.19545570439470 15.999 > 6 23 O 0.01756531475268 0.76996883106008 0.69545570439470 15.999 > 6 24 O 0.51756531475268 0.76996883106008 0.69545570439470 15.999 > 6 25 O 0.48243468524732 0.26996883106008 0.05454429560530 15.999 > 7 26 O 0.98243468524732 0.26996883106008 0.05454429560530 15.999 > 7 27 O 0.48243468524732 0.26996883106008 0.55454429560530 15.999 > 7 28 O 0.98243468524732 0.26996883106008 0.55454429560530 15.999 > 7 29 O 0.23243468524732 0.23003116893992 0.44545570439470 15.999 > 8 30 O 0.73243468524732 0.23003116893992 0.44545570439470 15.999 > 8 31 O 0.23243468524732 0.23003116893992 0.94545570439470 15.999 > 8 32 O 0.73243468524732 0.23003116893992 0.94545570439470 15.999 > 8 *33 O 0.40772899165520 0.01036462265038 0.42571738946336 15.999 > 9 34 O 0.90772899165520 0.01036462265038 0.42571738946336 15.999 > 9 35 O 0.40772899165520 0.01036462265038 0.92571738946336 15.999 > 9 36 O 0.90772899165520 0.01036462265038 0.92571738946336 15.999 > 9 37 O 0.15772899165520 0.48963537734962 0.07428261053664 15.999 > 10 38 O 0.65772899165520 0.48963537734962 0.07428261053664 15.999 > 10 39 O 0.15772899165520 0.48963537734962 0.57428261053664 15.999 > 10 40 O 0.65772899165520 0.48963537734962 0.57428261053664 15.999 > 10 41 O 0.34227100834480 0.98963537734962 0.17571738946336 15.999 > 11 42 O 0.84227100834480 0.98963537734962 0.17571738946336 15.999 > 11 43 O 0.34227100834480 0.98963537734962 0.67571738946336 15.999 > 11 44 O 0.84227100834480 0.98963537734962 0.67571738946336 15.999 > 11 45 O 0.09227100834480 0.51036462265038 0.32428261053664 15.999 > 12 46 O 0.59227100834480 0.51036462265038 0.32428261053664 15.999 > 12 47 O 0.09227100834480 0.51036462265038 0.82428261053664 15.999 > 12 48 O 0.59227100834480 0.51036462265038 0.82428261053664 15.999 > 12 49 O 0.09227100834480 0.98963537734962 0.07428261053664 15.999 > 13 50 O 0.59227100834480 0.98963537734962 0.07428261053664 15.999 > 13 51 O 0.09227100834480 0.98963537734962 0.57428261053664 15.999 > 13 52 O 0.59227100834480 0.98963537734962 0.57428261053664 15.999 > 13 53 O 0.34227100834480 0.51036462265038 0.42571738946336 15.999 > 14 54 O 0.84227100834480 0.51036462265038 0.42571738946336 15.999 > 14 55 O 0.34227100834480 0.51036462265038 0.92571738946336 15.999 > 14 56 O 0.84227100834480 0.51036462265038 0.92571738946336 15.999 > 14 57 O 0.15772899165520 0.01036462265038 0.32428261053664 15.999 > 15 58 O 0.65772899165520 0.01036462265038 0.32428261053664 15.999 > 15 59 O 0.15772899165520 0.01036462265038 0.82428261053664 15.999 > 15 60 O 0.65772899165520 0.01036462265038 0.82428261053664 15.999 > 15 61 O 0.40772899165520 0.48963537734962 0.17571738946336 15.999 > 16 62 O 0.90772899165520 0.48963537734962 0.17571738946336 15.999 > 16 63 O 0.40772899165520 0.48963537734962 0.67571738946336 15.999 > 16 64 O 0.90772899165520 0.48963537734962 0.67571738946336 15.999 > 16 *65 Ti 0.06918740203770 0.37106230180743 0.20217064274976 47.867 > 17 66 Ti 0.56918740203770 0.37106230180743 0.20217064274976 47.867 > 17 67 Ti 0.06918740203770 0.37106230180743 0.70217064274976 47.867 > 17 68 Ti 0.56918740203770 0.37106230180743 0.70217064274976 47.867 > 17 69 Ti 0.31918740203770 0.12893769819257 0.29782935725024 47.867 > 18 70 Ti 0.81918740203770 0.12893769819257 0.29782935725024 47.867 > 18 71 Ti 0.31918740203770 0.12893769819257 0.79782935725024 47.867 > 18 72 Ti 0.81918740203770 0.12893769819257 0.79782935725024 47.867 > 18 73 Ti 0.18081259796230 0.62893769819257 0.45217064274976 47.867 > 19 74 Ti 0.68081259796230 0.62893769819257 0.45217064274976 47.867 > 19 75 Ti 0.18081259796230 0.62893769819257 0.95217064274976 47.867 > 19 76 Ti 0.68081259796230 0.62893769819257 0.95217064274976 47.867 > 19 77 Ti 0.43081259796230 0.87106230180743 0.04782935725024 47.867 > 20 78 Ti 0.93081259796230 0.87106230180743 0.04782935725024 47.867 > 20 79 Ti 0.43081259796230 0.87106230180743 0.54782935725024 47.867 > 20 80 Ti 0.93081259796230 0.87106230180743 0.54782935725024 47.867 > 20 81 Ti 0.43081259796230 0.62893769819257 0.29782935725024 47.867 > 21 82 Ti 0.93081259796230 0.62893769819257 0.29782935725024 47.867 > 21 83 Ti 0.43081259796230 0.62893769819257 0.79782935725024 47.867 > 21 84 Ti 0.93081259796230 0.62893769819257 0.79782935725024 47.867 > 21 85 Ti 0.18081259796230 0.87106230180743 0.20217064274976 47.867 > 22 86 Ti 0.68081259796230 0.87106230180743 0.20217064274976 47.867 > 22 87 Ti 0.18081259796230 0.87106230180743 0.70217064274976 47.867 > 22 88 Ti 0.68081259796230 0.87106230180743 0.70217064274976 47.867 > 22 89 Ti 0.31918740203770 0.37106230180743 0.04782935725024 47.867 > 23 90 Ti 0.81918740203770 0.37106230180743 0.04782935725024 47.867 > 23 91 Ti 0.31918740203770 0.37106230180743 0.54782935725024 47.867 > 23 92 Ti 0.81918740203770 0.37106230180743 0.54782935725024 47.867 > 23 93 Ti 0.06918740203770 0.12893769819257 0.45217064274976 47.867 > 24 94 Ti 0.56918740203770 0.12893769819257 0.45217064274976 47.867 > 24 95 Ti 0.06918740203770 0.12893769819257 0.95217064274976 47.867 > 24 96 Ti 0.56918740203770 0.12893769819257 0.95217064274976 47.867 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9908874 0.0000000 0.0000000 0.0000000 7.7053012 0.0000000 0.0000000 0.0000000 7.0322359 -------------------------- Born effective charges -------------------------- 1 O -3.5099890 1.2843183 -0.0595190 1.5845198 -3.2536216 1.5265231 -0.0372799 1.3742181 -2.8110632 2 O -3.5099890 -1.2843183 0.0595190 -1.5845198 -3.2536216 1.5265231 0.0372799 1.3742181 -2.8110632 3 O -3.5099890 1.2843183 0.0595190 1.5845198 -3.2536216 -1.5265231 0.0372799 -1.3742181 -2.8110632 4 O -3.5099890 -1.2843183 -0.0595190 -1.5845198 -3.2536216 -1.5265231 -0.0372799 -1.3742181 -2.8110632 5 O -3.5099890 1.2843183 -0.0595190 1.5845198 -3.2536216 1.5265231 -0.0372799 1.3742181 -2.8110632 6 O -3.5099890 -1.2843183 0.0595190 -1.5845198 -3.2536216 1.5265231 0.0372799 1.3742181 -2.8110632 7 O -3.5099890 1.2843183 0.0595190 1.5845198 -3.2536216 -1.5265231 0.0372799 -1.3742181 -2.8110632 8 O -3.5099890 -1.2843183 -0.0595190 -1.5845198 -3.2536216 -1.5265231 -0.0372799 -1.3742181 -2.8110632 9 O -2.5592950 -0.0364793 -0.8361006 -0.1213082 -3.4935980 1.9072685 -0.7582100 1.8974331 -3.3051549 10 O -2.5592950 0.0364793 0.8361006 0.1213082 -3.4935980 1.9072685 0.7582100 1.8974331 -3.3051549 11 O -2.5592950 -0.0364793 0.8361006 -0.1213082 -3.4935980 -1.9072685 0.7582100 -1.8974331 -3.3051549 12 O -2.5592950 0.0364793 -0.8361006 0.1213082 -3.4935980 -1.9072685 -0.7582100 -1.8974331 -3.3051549 13 O -2.5592950 -0.0364793 -0.8361006 -0.1213082 -3.4935980 1.9072685 -0.7582100 1.8974331 -3.3051549 14 O -2.5592950 0.0364793 0.8361006 0.1213082 -3.4935980 1.9072685 0.7582100 1.8974331 -3.3051549 15 O -2.5592950 -0.0364793 0.8361006 -0.1213082 -3.4935980 -1.9072685 0.7582100 -1.8974331 -3.3051549 16 O -2.5592950 0.0364793 -0.8361006 0.1213082 -3.4935980 -1.9072685 -0.7582100 -1.8974331 -3.3051549 17 Ti 6.0692840 0.2778105 -1.1875487 0.0507792 6.7472196 0.0249021 -0.8626660 -0.0555040 6.1162181 18 Ti 6.0692840 -0.2778105 1.1875487 -0.0507792 6.7472196 0.0249021 0.8626660 -0.0555040 6.1162181 19 Ti 6.0692840 0.2778105 1.1875487 0.0507792 6.7472196 -0.0249021 0.8626660 0.0555040 6.1162181 20 Ti 6.0692840 -0.2778105 -1.1875487 -0.0507792 6.7472196 -0.0249021 -0.8626660 0.0555040 6.1162181 21 Ti 6.0692840 0.2778105 -1.1875487 0.0507792 6.7472196 0.0249021 -0.8626660 -0.0555040 6.1162181 22 Ti 6.0692840 -0.2778105 1.1875487 -0.0507792 6.7472196 0.0249021 0.8626660 -0.0555040 6.1162181 23 Ti 6.0692840 0.2778105 1.1875487 0.0507792 6.7472196 -0.0249021 0.8626660 0.0555040 6.1162181 24 Ti 6.0692840 -0.2778105 -1.1875487 -0.0507792 6.7472196 -0.0249021 -0.8626660 0.0555040 6.1162181 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.514 Solver_block: 200 / 400 - Time: 1.509 Solver_block: 300 / 400 - Time: 1.495 Solver_block: 400 / 400 - Time: 1.489 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.070 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:59:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:59:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.128991240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.183360769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.448933090000000 Atomic positions (fractional): 1 O 0.46486937049464 0.26996883106008 0.39091140878939 15.999 2 O 0.96486937049465 0.23003116893992 0.60908859121061 15.999 3 O 0.03513062950535 0.73003116893992 0.89091140878939 15.999 4 O 0.53513062950535 0.76996883106008 0.10908859121061 15.999 5 O 0.53513062950535 0.73003116893992 0.60908859121061 15.999 6 O 0.03513062950535 0.76996883106008 0.39091140878939 15.999 7 O 0.96486937049465 0.26996883106008 0.10908859121061 15.999 8 O 0.46486937049464 0.23003116893992 0.89091140878939 15.999 9 O 0.81545798331041 0.01036462265038 0.85143477892672 15.999 10 O 0.31545798331041 0.48963537734962 0.14856522107328 15.999 11 O 0.68454201668959 0.98963537734962 0.35143477892672 15.999 12 O 0.18454201668959 0.51036462265038 0.64856522107328 15.999 13 O 0.18454201668959 0.98963537734962 0.14856522107328 15.999 14 O 0.68454201668959 0.51036462265038 0.85143477892672 15.999 15 O 0.31545798331041 0.01036462265038 0.64856522107328 15.999 16 O 0.81545798331041 0.48963537734962 0.35143477892672 15.999 17 Ti 0.13837480407541 0.37106230180743 0.40434128549951 47.867 18 Ti 0.63837480407541 0.12893769819257 0.59565871450049 47.867 19 Ti 0.36162519592459 0.62893769819257 0.90434128549951 47.867 20 Ti 0.86162519592459 0.87106230180743 0.09565871450049 47.867 21 Ti 0.86162519592459 0.62893769819257 0.59565871450049 47.867 22 Ti 0.36162519592459 0.87106230180743 0.40434128549951 47.867 23 Ti 0.63837480407541 0.37106230180743 0.09565871450049 47.867 24 Ti 0.13837480407541 0.12893769819257 0.90434128549951 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.257982480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.183360769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.897866179999999 Atomic positions (fractional): 1 O 0.23243468524732 0.26996883106008 0.19545570439470 15.999 > 1 2 O 0.73243468524732 0.26996883106008 0.19545570439470 15.999 > 1 3 O 0.23243468524732 0.26996883106008 0.69545570439470 15.999 > 1 4 O 0.73243468524732 0.26996883106008 0.69545570439470 15.999 > 1 5 O 0.48243468524732 0.23003116893992 0.30454429560530 15.999 > 5 6 O 0.98243468524732 0.23003116893992 0.30454429560530 15.999 > 5 7 O 0.48243468524732 0.23003116893992 0.80454429560530 15.999 > 5 8 O 0.98243468524732 0.23003116893992 0.80454429560530 15.999 > 5 9 O 0.01756531475268 0.73003116893992 0.44545570439470 15.999 > 9 10 O 0.51756531475268 0.73003116893992 0.44545570439470 15.999 > 9 11 O 0.01756531475268 0.73003116893992 0.94545570439470 15.999 > 9 12 O 0.51756531475268 0.73003116893992 0.94545570439470 15.999 > 9 13 O 0.26756531475268 0.76996883106008 0.05454429560530 15.999 > 13 14 O 0.76756531475268 0.76996883106008 0.05454429560530 15.999 > 13 15 O 0.26756531475268 0.76996883106008 0.55454429560530 15.999 > 13 16 O 0.76756531475268 0.76996883106008 0.55454429560530 15.999 > 13 17 O 0.26756531475268 0.73003116893992 0.30454429560530 15.999 > 17 18 O 0.76756531475268 0.73003116893992 0.30454429560530 15.999 > 17 19 O 0.26756531475268 0.73003116893992 0.80454429560530 15.999 > 17 20 O 0.76756531475268 0.73003116893992 0.80454429560530 15.999 > 17 21 O 0.01756531475268 0.76996883106008 0.19545570439470 15.999 > 21 22 O 0.51756531475268 0.76996883106008 0.19545570439470 15.999 > 21 23 O 0.01756531475268 0.76996883106008 0.69545570439470 15.999 > 21 24 O 0.51756531475268 0.76996883106008 0.69545570439470 15.999 > 21 25 O 0.48243468524732 0.26996883106008 0.05454429560530 15.999 > 25 26 O 0.98243468524732 0.26996883106008 0.05454429560530 15.999 > 25 27 O 0.48243468524732 0.26996883106008 0.55454429560530 15.999 > 25 28 O 0.98243468524732 0.26996883106008 0.55454429560530 15.999 > 25 29 O 0.23243468524732 0.23003116893992 0.44545570439470 15.999 > 29 30 O 0.73243468524732 0.23003116893992 0.44545570439470 15.999 > 29 31 O 0.23243468524732 0.23003116893992 0.94545570439470 15.999 > 29 32 O 0.73243468524732 0.23003116893992 0.94545570439470 15.999 > 29 33 O 0.40772899165520 0.01036462265038 0.42571738946336 15.999 > 33 34 O 0.90772899165520 0.01036462265038 0.42571738946336 15.999 > 33 35 O 0.40772899165520 0.01036462265038 0.92571738946336 15.999 > 33 36 O 0.90772899165520 0.01036462265038 0.92571738946336 15.999 > 33 37 O 0.15772899165520 0.48963537734962 0.07428261053664 15.999 > 37 38 O 0.65772899165520 0.48963537734962 0.07428261053664 15.999 > 37 39 O 0.15772899165520 0.48963537734962 0.57428261053664 15.999 > 37 40 O 0.65772899165520 0.48963537734962 0.57428261053664 15.999 > 37 41 O 0.34227100834480 0.98963537734962 0.17571738946336 15.999 > 41 42 O 0.84227100834480 0.98963537734962 0.17571738946336 15.999 > 41 43 O 0.34227100834480 0.98963537734962 0.67571738946336 15.999 > 41 44 O 0.84227100834480 0.98963537734962 0.67571738946336 15.999 > 41 45 O 0.09227100834480 0.51036462265038 0.32428261053664 15.999 > 45 46 O 0.59227100834480 0.51036462265038 0.32428261053664 15.999 > 45 47 O 0.09227100834480 0.51036462265038 0.82428261053664 15.999 > 45 48 O 0.59227100834480 0.51036462265038 0.82428261053664 15.999 > 45 49 O 0.09227100834480 0.98963537734962 0.07428261053664 15.999 > 49 50 O 0.59227100834480 0.98963537734962 0.07428261053664 15.999 > 49 51 O 0.09227100834480 0.98963537734962 0.57428261053664 15.999 > 49 52 O 0.59227100834480 0.98963537734962 0.57428261053664 15.999 > 49 53 O 0.34227100834480 0.51036462265038 0.42571738946336 15.999 > 53 54 O 0.84227100834480 0.51036462265038 0.42571738946336 15.999 > 53 55 O 0.34227100834480 0.51036462265038 0.92571738946336 15.999 > 53 56 O 0.84227100834480 0.51036462265038 0.92571738946336 15.999 > 53 57 O 0.15772899165520 0.01036462265038 0.32428261053664 15.999 > 57 58 O 0.65772899165520 0.01036462265038 0.32428261053664 15.999 > 57 59 O 0.15772899165520 0.01036462265038 0.82428261053664 15.999 > 57 60 O 0.65772899165520 0.01036462265038 0.82428261053664 15.999 > 57 61 O 0.40772899165520 0.48963537734962 0.17571738946336 15.999 > 61 62 O 0.90772899165520 0.48963537734962 0.17571738946336 15.999 > 61 63 O 0.40772899165520 0.48963537734962 0.67571738946336 15.999 > 61 64 O 0.90772899165520 0.48963537734962 0.67571738946336 15.999 > 61 65 Ti 0.06918740203770 0.37106230180743 0.20217064274976 47.867 > 65 66 Ti 0.56918740203770 0.37106230180743 0.20217064274976 47.867 > 65 67 Ti 0.06918740203770 0.37106230180743 0.70217064274976 47.867 > 65 68 Ti 0.56918740203770 0.37106230180743 0.70217064274976 47.867 > 65 69 Ti 0.31918740203770 0.12893769819257 0.29782935725024 47.867 > 69 70 Ti 0.81918740203770 0.12893769819257 0.29782935725024 47.867 > 69 71 Ti 0.31918740203770 0.12893769819257 0.79782935725024 47.867 > 69 72 Ti 0.81918740203770 0.12893769819257 0.79782935725024 47.867 > 69 73 Ti 0.18081259796230 0.62893769819257 0.45217064274976 47.867 > 73 74 Ti 0.68081259796230 0.62893769819257 0.45217064274976 47.867 > 73 75 Ti 0.18081259796230 0.62893769819257 0.95217064274976 47.867 > 73 76 Ti 0.68081259796230 0.62893769819257 0.95217064274976 47.867 > 73 77 Ti 0.43081259796230 0.87106230180743 0.04782935725024 47.867 > 77 78 Ti 0.93081259796230 0.87106230180743 0.04782935725024 47.867 > 77 79 Ti 0.43081259796230 0.87106230180743 0.54782935725024 47.867 > 77 80 Ti 0.93081259796230 0.87106230180743 0.54782935725024 47.867 > 77 81 Ti 0.43081259796230 0.62893769819257 0.29782935725024 47.867 > 81 82 Ti 0.93081259796230 0.62893769819257 0.29782935725024 47.867 > 81 83 Ti 0.43081259796230 0.62893769819257 0.79782935725024 47.867 > 81 84 Ti 0.93081259796230 0.62893769819257 0.79782935725024 47.867 > 81 85 Ti 0.18081259796230 0.87106230180743 0.20217064274976 47.867 > 85 86 Ti 0.68081259796230 0.87106230180743 0.20217064274976 47.867 > 85 87 Ti 0.18081259796230 0.87106230180743 0.70217064274976 47.867 > 85 88 Ti 0.68081259796230 0.87106230180743 0.70217064274976 47.867 > 85 89 Ti 0.31918740203770 0.37106230180743 0.04782935725024 47.867 > 89 90 Ti 0.81918740203770 0.37106230180743 0.04782935725024 47.867 > 89 91 Ti 0.31918740203770 0.37106230180743 0.54782935725024 47.867 > 89 92 Ti 0.81918740203770 0.37106230180743 0.54782935725024 47.867 > 89 93 Ti 0.06918740203770 0.12893769819257 0.45217064274976 47.867 > 93 94 Ti 0.56918740203770 0.12893769819257 0.45217064274976 47.867 > 93 95 Ti 0.06918740203770 0.12893769819257 0.95217064274976 47.867 > 93 96 Ti 0.56918740203770 0.12893769819257 0.95217064274976 47.867 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9908874 0.0000000 0.0000000 0.0000000 7.7053012 0.0000000 0.0000000 0.0000000 7.0322359 -------------------------- Born effective charges -------------------------- 1 O -3.5099890 1.2843183 -0.0595190 1.5845198 -3.2536216 1.5265231 -0.0372799 1.3742181 -2.8110632 2 O -3.5099890 -1.2843183 0.0595190 -1.5845198 -3.2536216 1.5265231 0.0372799 1.3742181 -2.8110632 3 O -3.5099890 1.2843183 0.0595190 1.5845198 -3.2536216 -1.5265231 0.0372799 -1.3742181 -2.8110632 4 O -3.5099890 -1.2843183 -0.0595190 -1.5845198 -3.2536216 -1.5265231 -0.0372799 -1.3742181 -2.8110632 5 O -3.5099890 1.2843183 -0.0595190 1.5845198 -3.2536216 1.5265231 -0.0372799 1.3742181 -2.8110632 6 O -3.5099890 -1.2843183 0.0595190 -1.5845198 -3.2536216 1.5265231 0.0372799 1.3742181 -2.8110632 7 O -3.5099890 1.2843183 0.0595190 1.5845198 -3.2536216 -1.5265231 0.0372799 -1.3742181 -2.8110632 8 O -3.5099890 -1.2843183 -0.0595190 -1.5845198 -3.2536216 -1.5265231 -0.0372799 -1.3742181 -2.8110632 9 O -2.5592950 -0.0364793 -0.8361006 -0.1213082 -3.4935980 1.9072685 -0.7582100 1.8974331 -3.3051549 10 O -2.5592950 0.0364793 0.8361006 0.1213082 -3.4935980 1.9072685 0.7582100 1.8974331 -3.3051549 11 O -2.5592950 -0.0364793 0.8361006 -0.1213082 -3.4935980 -1.9072685 0.7582100 -1.8974331 -3.3051549 12 O -2.5592950 0.0364793 -0.8361006 0.1213082 -3.4935980 -1.9072685 -0.7582100 -1.8974331 -3.3051549 13 O -2.5592950 -0.0364793 -0.8361006 -0.1213082 -3.4935980 1.9072685 -0.7582100 1.8974331 -3.3051549 14 O -2.5592950 0.0364793 0.8361006 0.1213082 -3.4935980 1.9072685 0.7582100 1.8974331 -3.3051549 15 O -2.5592950 -0.0364793 0.8361006 -0.1213082 -3.4935980 -1.9072685 0.7582100 -1.8974331 -3.3051549 16 O -2.5592950 0.0364793 -0.8361006 0.1213082 -3.4935980 -1.9072685 -0.7582100 -1.8974331 -3.3051549 17 Ti 6.0692840 0.2778105 -1.1875487 0.0507792 6.7472196 0.0249021 -0.8626660 -0.0555040 6.1162181 18 Ti 6.0692840 -0.2778105 1.1875487 -0.0507792 6.7472196 0.0249021 0.8626660 -0.0555040 6.1162181 19 Ti 6.0692840 0.2778105 1.1875487 0.0507792 6.7472196 -0.0249021 0.8626660 0.0555040 6.1162181 20 Ti 6.0692840 -0.2778105 -1.1875487 -0.0507792 6.7472196 -0.0249021 -0.8626660 0.0555040 6.1162181 21 Ti 6.0692840 0.2778105 -1.1875487 0.0507792 6.7472196 0.0249021 -0.8626660 -0.0555040 6.1162181 22 Ti 6.0692840 -0.2778105 1.1875487 -0.0507792 6.7472196 0.0249021 0.8626660 -0.0555040 6.1162181 23 Ti 6.0692840 0.2778105 1.1875487 0.0507792 6.7472196 -0.0249021 0.8626660 0.0555040 6.1162181 24 Ti 6.0692840 -0.2778105 -1.1875487 -0.0507792 6.7472196 -0.0249021 -0.8626660 0.0555040 6.1162181 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (xy) 0.00000004 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:59:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:59:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.128991240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.183360769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.448933090000000 Atomic positions (fractional): 1 O 0.46486937049464 0.26996883106008 0.39091140878939 15.999 2 O 0.96486937049465 0.23003116893992 0.60908859121061 15.999 3 O 0.03513062950535 0.73003116893992 0.89091140878939 15.999 4 O 0.53513062950535 0.76996883106008 0.10908859121061 15.999 5 O 0.53513062950535 0.73003116893992 0.60908859121061 15.999 6 O 0.03513062950535 0.76996883106008 0.39091140878939 15.999 7 O 0.96486937049465 0.26996883106008 0.10908859121061 15.999 8 O 0.46486937049464 0.23003116893992 0.89091140878939 15.999 9 O 0.81545798331041 0.01036462265038 0.85143477892672 15.999 10 O 0.31545798331041 0.48963537734962 0.14856522107328 15.999 11 O 0.68454201668959 0.98963537734962 0.35143477892672 15.999 12 O 0.18454201668959 0.51036462265038 0.64856522107328 15.999 13 O 0.18454201668959 0.98963537734962 0.14856522107328 15.999 14 O 0.68454201668959 0.51036462265038 0.85143477892672 15.999 15 O 0.31545798331041 0.01036462265038 0.64856522107328 15.999 16 O 0.81545798331041 0.48963537734962 0.35143477892672 15.999 17 Ti 0.13837480407541 0.37106230180743 0.40434128549951 47.867 18 Ti 0.63837480407541 0.12893769819257 0.59565871450049 47.867 19 Ti 0.36162519592459 0.62893769819257 0.90434128549951 47.867 20 Ti 0.86162519592459 0.87106230180743 0.09565871450049 47.867 21 Ti 0.86162519592459 0.62893769819257 0.59565871450049 47.867 22 Ti 0.36162519592459 0.87106230180743 0.40434128549951 47.867 23 Ti 0.63837480407541 0.37106230180743 0.09565871450049 47.867 24 Ti 0.13837480407541 0.12893769819257 0.90434128549951 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.257982480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.183360769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.897866179999999 Atomic positions (fractional): 1 O 0.23243468524732 0.26996883106008 0.19545570439470 15.999 > 1 2 O 0.73243468524732 0.26996883106008 0.19545570439470 15.999 > 1 3 O 0.23243468524732 0.26996883106008 0.69545570439470 15.999 > 1 4 O 0.73243468524732 0.26996883106008 0.69545570439470 15.999 > 1 5 O 0.48243468524732 0.23003116893992 0.30454429560530 15.999 > 5 6 O 0.98243468524732 0.23003116893992 0.30454429560530 15.999 > 5 7 O 0.48243468524732 0.23003116893992 0.80454429560530 15.999 > 5 8 O 0.98243468524732 0.23003116893992 0.80454429560530 15.999 > 5 9 O 0.01756531475268 0.73003116893992 0.44545570439470 15.999 > 9 10 O 0.51756531475268 0.73003116893992 0.44545570439470 15.999 > 9 11 O 0.01756531475268 0.73003116893992 0.94545570439470 15.999 > 9 12 O 0.51756531475268 0.73003116893992 0.94545570439470 15.999 > 9 13 O 0.26756531475268 0.76996883106008 0.05454429560530 15.999 > 13 14 O 0.76756531475268 0.76996883106008 0.05454429560530 15.999 > 13 15 O 0.26756531475268 0.76996883106008 0.55454429560530 15.999 > 13 16 O 0.76756531475268 0.76996883106008 0.55454429560530 15.999 > 13 17 O 0.26756531475268 0.73003116893992 0.30454429560530 15.999 > 17 18 O 0.76756531475268 0.73003116893992 0.30454429560530 15.999 > 17 19 O 0.26756531475268 0.73003116893992 0.80454429560530 15.999 > 17 20 O 0.76756531475268 0.73003116893992 0.80454429560530 15.999 > 17 21 O 0.01756531475268 0.76996883106008 0.19545570439470 15.999 > 21 22 O 0.51756531475268 0.76996883106008 0.19545570439470 15.999 > 21 23 O 0.01756531475268 0.76996883106008 0.69545570439470 15.999 > 21 24 O 0.51756531475268 0.76996883106008 0.69545570439470 15.999 > 21 25 O 0.48243468524732 0.26996883106008 0.05454429560530 15.999 > 25 26 O 0.98243468524732 0.26996883106008 0.05454429560530 15.999 > 25 27 O 0.48243468524732 0.26996883106008 0.55454429560530 15.999 > 25 28 O 0.98243468524732 0.26996883106008 0.55454429560530 15.999 > 25 29 O 0.23243468524732 0.23003116893992 0.44545570439470 15.999 > 29 30 O 0.73243468524732 0.23003116893992 0.44545570439470 15.999 > 29 31 O 0.23243468524732 0.23003116893992 0.94545570439470 15.999 > 29 32 O 0.73243468524732 0.23003116893992 0.94545570439470 15.999 > 29 33 O 0.40772899165520 0.01036462265038 0.42571738946336 15.999 > 33 34 O 0.90772899165520 0.01036462265038 0.42571738946336 15.999 > 33 35 O 0.40772899165520 0.01036462265038 0.92571738946336 15.999 > 33 36 O 0.90772899165520 0.01036462265038 0.92571738946336 15.999 > 33 37 O 0.15772899165520 0.48963537734962 0.07428261053664 15.999 > 37 38 O 0.65772899165520 0.48963537734962 0.07428261053664 15.999 > 37 39 O 0.15772899165520 0.48963537734962 0.57428261053664 15.999 > 37 40 O 0.65772899165520 0.48963537734962 0.57428261053664 15.999 > 37 41 O 0.34227100834480 0.98963537734962 0.17571738946336 15.999 > 41 42 O 0.84227100834480 0.98963537734962 0.17571738946336 15.999 > 41 43 O 0.34227100834480 0.98963537734962 0.67571738946336 15.999 > 41 44 O 0.84227100834480 0.98963537734962 0.67571738946336 15.999 > 41 45 O 0.09227100834480 0.51036462265038 0.32428261053664 15.999 > 45 46 O 0.59227100834480 0.51036462265038 0.32428261053664 15.999 > 45 47 O 0.09227100834480 0.51036462265038 0.82428261053664 15.999 > 45 48 O 0.59227100834480 0.51036462265038 0.82428261053664 15.999 > 45 49 O 0.09227100834480 0.98963537734962 0.07428261053664 15.999 > 49 50 O 0.59227100834480 0.98963537734962 0.07428261053664 15.999 > 49 51 O 0.09227100834480 0.98963537734962 0.57428261053664 15.999 > 49 52 O 0.59227100834480 0.98963537734962 0.57428261053664 15.999 > 49 53 O 0.34227100834480 0.51036462265038 0.42571738946336 15.999 > 53 54 O 0.84227100834480 0.51036462265038 0.42571738946336 15.999 > 53 55 O 0.34227100834480 0.51036462265038 0.92571738946336 15.999 > 53 56 O 0.84227100834480 0.51036462265038 0.92571738946336 15.999 > 53 57 O 0.15772899165520 0.01036462265038 0.32428261053664 15.999 > 57 58 O 0.65772899165520 0.01036462265038 0.32428261053664 15.999 > 57 59 O 0.15772899165520 0.01036462265038 0.82428261053664 15.999 > 57 60 O 0.65772899165520 0.01036462265038 0.82428261053664 15.999 > 57 61 O 0.40772899165520 0.48963537734962 0.17571738946336 15.999 > 61 62 O 0.90772899165520 0.48963537734962 0.17571738946336 15.999 > 61 63 O 0.40772899165520 0.48963537734962 0.67571738946336 15.999 > 61 64 O 0.90772899165520 0.48963537734962 0.67571738946336 15.999 > 61 65 Ti 0.06918740203770 0.37106230180743 0.20217064274976 47.867 > 65 66 Ti 0.56918740203770 0.37106230180743 0.20217064274976 47.867 > 65 67 Ti 0.06918740203770 0.37106230180743 0.70217064274976 47.867 > 65 68 Ti 0.56918740203770 0.37106230180743 0.70217064274976 47.867 > 65 69 Ti 0.31918740203770 0.12893769819257 0.29782935725024 47.867 > 69 70 Ti 0.81918740203770 0.12893769819257 0.29782935725024 47.867 > 69 71 Ti 0.31918740203770 0.12893769819257 0.79782935725024 47.867 > 69 72 Ti 0.81918740203770 0.12893769819257 0.79782935725024 47.867 > 69 73 Ti 0.18081259796230 0.62893769819257 0.45217064274976 47.867 > 73 74 Ti 0.68081259796230 0.62893769819257 0.45217064274976 47.867 > 73 75 Ti 0.18081259796230 0.62893769819257 0.95217064274976 47.867 > 73 76 Ti 0.68081259796230 0.62893769819257 0.95217064274976 47.867 > 73 77 Ti 0.43081259796230 0.87106230180743 0.04782935725024 47.867 > 77 78 Ti 0.93081259796230 0.87106230180743 0.04782935725024 47.867 > 77 79 Ti 0.43081259796230 0.87106230180743 0.54782935725024 47.867 > 77 80 Ti 0.93081259796230 0.87106230180743 0.54782935725024 47.867 > 77 81 Ti 0.43081259796230 0.62893769819257 0.29782935725024 47.867 > 81 82 Ti 0.93081259796230 0.62893769819257 0.29782935725024 47.867 > 81 83 Ti 0.43081259796230 0.62893769819257 0.79782935725024 47.867 > 81 84 Ti 0.93081259796230 0.62893769819257 0.79782935725024 47.867 > 81 85 Ti 0.18081259796230 0.87106230180743 0.20217064274976 47.867 > 85 86 Ti 0.68081259796230 0.87106230180743 0.20217064274976 47.867 > 85 87 Ti 0.18081259796230 0.87106230180743 0.70217064274976 47.867 > 85 88 Ti 0.68081259796230 0.87106230180743 0.70217064274976 47.867 > 85 89 Ti 0.31918740203770 0.37106230180743 0.04782935725024 47.867 > 89 90 Ti 0.81918740203770 0.37106230180743 0.04782935725024 47.867 > 89 91 Ti 0.31918740203770 0.37106230180743 0.54782935725024 47.867 > 89 92 Ti 0.81918740203770 0.37106230180743 0.54782935725024 47.867 > 89 93 Ti 0.06918740203770 0.12893769819257 0.45217064274976 47.867 > 93 94 Ti 0.56918740203770 0.12893769819257 0.45217064274976 47.867 > 93 95 Ti 0.06918740203770 0.12893769819257 0.95217064274976 47.867 > 93 96 Ti 0.56918740203770 0.12893769819257 0.95217064274976 47.867 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9908874 0.0000000 0.0000000 0.0000000 7.7053012 0.0000000 0.0000000 0.0000000 7.0322359 -------------------------- Born effective charges -------------------------- 1 O -3.5099890 1.2843183 -0.0595190 1.5845198 -3.2536216 1.5265231 -0.0372799 1.3742181 -2.8110632 2 O -3.5099890 -1.2843183 0.0595190 -1.5845198 -3.2536216 1.5265231 0.0372799 1.3742181 -2.8110632 3 O -3.5099890 1.2843183 0.0595190 1.5845198 -3.2536216 -1.5265231 0.0372799 -1.3742181 -2.8110632 4 O -3.5099890 -1.2843183 -0.0595190 -1.5845198 -3.2536216 -1.5265231 -0.0372799 -1.3742181 -2.8110632 5 O -3.5099890 1.2843183 -0.0595190 1.5845198 -3.2536216 1.5265231 -0.0372799 1.3742181 -2.8110632 6 O -3.5099890 -1.2843183 0.0595190 -1.5845198 -3.2536216 1.5265231 0.0372799 1.3742181 -2.8110632 7 O -3.5099890 1.2843183 0.0595190 1.5845198 -3.2536216 -1.5265231 0.0372799 -1.3742181 -2.8110632 8 O -3.5099890 -1.2843183 -0.0595190 -1.5845198 -3.2536216 -1.5265231 -0.0372799 -1.3742181 -2.8110632 9 O -2.5592950 -0.0364793 -0.8361006 -0.1213082 -3.4935980 1.9072685 -0.7582100 1.8974331 -3.3051549 10 O -2.5592950 0.0364793 0.8361006 0.1213082 -3.4935980 1.9072685 0.7582100 1.8974331 -3.3051549 11 O -2.5592950 -0.0364793 0.8361006 -0.1213082 -3.4935980 -1.9072685 0.7582100 -1.8974331 -3.3051549 12 O -2.5592950 0.0364793 -0.8361006 0.1213082 -3.4935980 -1.9072685 -0.7582100 -1.8974331 -3.3051549 13 O -2.5592950 -0.0364793 -0.8361006 -0.1213082 -3.4935980 1.9072685 -0.7582100 1.8974331 -3.3051549 14 O -2.5592950 0.0364793 0.8361006 0.1213082 -3.4935980 1.9072685 0.7582100 1.8974331 -3.3051549 15 O -2.5592950 -0.0364793 0.8361006 -0.1213082 -3.4935980 -1.9072685 0.7582100 -1.8974331 -3.3051549 16 O -2.5592950 0.0364793 -0.8361006 0.1213082 -3.4935980 -1.9072685 -0.7582100 -1.8974331 -3.3051549 17 Ti 6.0692840 0.2778105 -1.1875487 0.0507792 6.7472196 0.0249021 -0.8626660 -0.0555040 6.1162181 18 Ti 6.0692840 -0.2778105 1.1875487 -0.0507792 6.7472196 0.0249021 0.8626660 -0.0555040 6.1162181 19 Ti 6.0692840 0.2778105 1.1875487 0.0507792 6.7472196 -0.0249021 0.8626660 0.0555040 6.1162181 20 Ti 6.0692840 -0.2778105 -1.1875487 -0.0507792 6.7472196 -0.0249021 -0.8626660 0.0555040 6.1162181 21 Ti 6.0692840 0.2778105 -1.1875487 0.0507792 6.7472196 0.0249021 -0.8626660 -0.0555040 6.1162181 22 Ti 6.0692840 -0.2778105 1.1875487 -0.0507792 6.7472196 0.0249021 0.8626660 -0.0555040 6.1162181 23 Ti 6.0692840 0.2778105 1.1875487 0.0507792 6.7472196 -0.0249021 0.8626660 0.0555040 6.1162181 24 Ti 6.0692840 -0.2778105 -1.1875487 -0.0507792 6.7472196 -0.0249021 -0.8626660 0.0555040 6.1162181 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 5 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 301, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 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 3.653 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.548 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 8.331 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 10.158 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.624 ( 0.000 0.000 0.000) 0.000 10.938 ( 0.000 0.000 0.000) 0.000 10.946 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.330 ( 0.000 0.000 0.000) 0.000 11.449 ( 0.000 0.000 0.000) 0.000 11.987 ( 0.000 0.000 0.000) 0.000 12.111 ( 0.000 0.000 0.000) 0.000 12.163 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 12.845 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 13.473 ( 0.000 0.000 0.000) 0.000 13.497 ( 0.000 0.000 0.000) 0.000 14.078 ( 0.000 0.000 0.000) 0.000 14.127 ( 0.000 0.000 0.000) 0.000 14.372 ( 0.000 0.000 0.000) 0.000 14.425 ( 0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 0.000) 0.000 14.831 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.529 ( 0.000 0.000 0.000) 0.000 15.834 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.609 ( 0.000 0.000 0.000) 0.000 16.882 ( 0.000 0.000 0.000) 0.000 17.560 ( 0.000 0.000 0.000) 0.000 18.169 ( 0.000 0.000 0.000) 0.000 18.911 ( 0.000 0.000 0.000) 0.000 18.933 ( 0.000 0.000 0.000) 0.000 19.644 ( 0.000 0.000 0.000) 0.000 22.382 ( 0.000 0.000 0.000) 0.000 23.846 ( 0.000 0.000 0.000) 0.000 24.187 ( 0.000 0.000 0.000) 0.000 24.538 ( 0.000 0.000 0.000) 0.000 25.342 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.10 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 44.541 0.000 0.000) 44.541 0.971 ( 48.512 0.000 0.000) 48.512 1.674 ( 84.047 0.000 0.000) 84.047 3.749 ( 8.567 0.000 0.000) 8.567 3.786 ( 7.832 0.000 0.000) 7.832 3.932 ( 9.342 0.000 0.000) 9.342 4.450 ( 4.130 0.000 0.000) 4.130 4.698 ( -0.396 0.000 0.000) 0.396 4.753 ( -1.027 0.000 0.000) 1.027 4.796 ( -4.651 0.000 0.000) 4.651 4.886 ( 6.457 0.000 0.000) 6.457 5.362 ( -9.875 0.000 0.000) 9.875 5.489 ( -6.168 0.000 0.000) 6.168 6.247 ( 5.554 0.000 0.000) 5.554 6.311 ( -0.440 0.000 0.000) 0.440 6.376 ( 6.753 0.000 0.000) 6.753 6.572 ( 4.347 0.000 0.000) 4.347 6.952 ( 0.068 0.000 0.000) 0.068 6.973 ( 2.148 0.000 0.000) 2.148 7.016 ( 0.278 0.000 0.000) 0.278 7.124 ( -5.210 0.000 0.000) 5.210 8.024 ( -33.028 0.000 0.000) 33.028 8.343 ( -15.317 0.000 0.000) 15.317 8.358 ( -13.309 0.000 0.000) 13.309 8.430 ( 2.851 0.000 0.000) 2.851 8.609 ( 10.310 0.000 0.000) 10.310 8.884 ( -1.331 0.000 0.000) 1.331 9.128 ( -13.218 0.000 0.000) 13.218 9.211 ( 9.252 0.000 0.000) 9.252 9.619 ( 3.209 0.000 0.000) 3.209 9.768 ( 2.287 0.000 0.000) 2.287 9.849 ( -3.506 0.000 0.000) 3.506 9.910 ( -13.633 0.000 0.000) 13.633 10.385 ( 17.264 0.000 0.000) 17.264 10.676 ( -11.299 0.000 0.000) 11.299 10.921 ( -3.260 0.000 0.000) 3.260 10.931 ( -1.636 0.000 0.000) 1.636 11.039 ( 14.561 0.000 0.000) 14.561 11.105 ( 13.579 0.000 0.000) 13.579 11.903 ( -7.112 0.000 0.000) 7.112 11.972 ( 31.643 0.000 0.000) 31.643 12.016 ( -14.776 0.000 0.000) 14.776 12.072 ( -3.227 0.000 0.000) 3.227 12.487 ( -2.911 0.000 0.000) 2.911 12.799 ( 0.667 0.000 0.000) 0.667 12.801 ( -3.848 0.000 0.000) 3.848 13.309 ( -0.958 0.000 0.000) 0.958 13.490 ( 2.936 0.000 0.000) 2.936 13.534 ( 3.095 0.000 0.000) 3.095 14.030 ( -9.591 0.000 0.000) 9.591 14.308 ( -8.548 0.000 0.000) 8.548 14.348 ( -7.744 0.000 0.000) 7.744 14.440 ( -3.705 0.000 0.000) 3.705 14.692 ( -4.635 0.000 0.000) 4.635 14.726 ( -8.016 0.000 0.000) 8.016 14.853 ( -3.140 0.000 0.000) 3.140 15.393 ( 4.221 0.000 0.000) 4.221 15.536 ( 0.694 0.000 0.000) 0.694 16.228 ( -2.762 0.000 0.000) 2.762 16.288 ( -18.497 0.000 0.000) 18.497 17.281 ( 26.140 0.000 0.000) 26.140 17.596 ( 3.533 0.000 0.000) 3.533 18.170 ( 0.121 0.000 0.000) 0.121 18.866 ( -4.497 0.000 0.000) 4.497 18.951 ( 2.321 0.000 0.000) 2.321 19.783 ( 13.587 0.000 0.000) 13.587 22.455 ( 7.195 0.000 0.000) 7.195 22.863 ( -7.429 0.000 0.000) 7.429 23.891 ( 4.520 0.000 0.000) 4.520 23.992 ( -19.338 0.000 0.000) 19.338 24.500 ( -4.239 0.000 0.000) 4.239 25.644 ( -5.582 0.000 0.000) 5.582 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 40.310 0.000 0.000) 40.310 1.864 ( 42.372 0.000 0.000) 42.372 3.198 ( 67.341 0.000 0.000) 67.341 3.916 ( 7.840 0.000 0.000) 7.840 3.992 ( 12.455 0.000 0.000) 12.455 4.132 ( 9.350 0.000 0.000) 9.350 4.566 ( -18.461 0.000 0.000) 18.461 4.598 ( 12.322 0.000 0.000) 12.322 4.697 ( -5.160 0.000 0.000) 5.160 4.737 ( 6.145 0.000 0.000) 6.145 5.070 ( 11.688 0.000 0.000) 11.688 5.220 ( -1.786 0.000 0.000) 1.786 5.463 ( 2.145 0.000 0.000) 2.145 6.175 ( -10.250 0.000 0.000) 10.250 6.385 ( 8.002 0.000 0.000) 8.002 6.480 ( 3.362 0.000 0.000) 3.362 6.726 ( 9.788 0.000 0.000) 9.788 6.874 ( -18.564 0.000 0.000) 18.564 6.990 ( -1.859 0.000 0.000) 1.859 7.033 ( 4.089 0.000 0.000) 4.089 7.039 ( 2.218 0.000 0.000) 2.218 7.224 ( -42.104 0.000 0.000) 42.104 8.088 ( -9.431 0.000 0.000) 9.431 8.155 ( -5.684 0.000 0.000) 5.684 8.505 ( 5.340 0.000 0.000) 5.340 8.643 ( -7.802 0.000 0.000) 7.802 8.889 ( -14.182 0.000 0.000) 14.182 9.087 ( 22.280 0.000 0.000) 22.280 9.364 ( -27.050 0.000 0.000) 27.050 9.502 ( 20.354 0.000 0.000) 20.354 9.615 ( -12.595 0.000 0.000) 12.595 9.690 ( 3.582 0.000 0.000) 3.582 9.983 ( 5.113 0.000 0.000) 5.113 10.465 ( -6.910 0.000 0.000) 6.910 10.796 ( 16.564 0.000 0.000) 16.564 10.825 ( -6.340 0.000 0.000) 6.340 10.871 ( -5.216 0.000 0.000) 5.216 11.383 ( 14.184 0.000 0.000) 14.184 11.468 ( 23.843 0.000 0.000) 23.843 11.604 ( -26.606 0.000 0.000) 26.606 11.812 ( 1.301 0.000 0.000) 1.301 12.027 ( -0.423 0.000 0.000) 0.423 12.368 ( -9.562 0.000 0.000) 9.562 12.541 ( 25.386 0.000 0.000) 25.386 12.729 ( -2.746 0.000 0.000) 2.746 12.773 ( -4.312 0.000 0.000) 4.312 13.239 ( -5.425 0.000 0.000) 5.425 13.565 ( -1.670 0.000 0.000) 1.670 13.594 ( 6.765 0.000 0.000) 6.765 13.797 ( -12.030 0.000 0.000) 12.030 13.980 ( -23.487 0.000 0.000) 23.487 14.130 ( -14.342 0.000 0.000) 14.342 14.348 ( -5.519 0.000 0.000) 5.519 14.579 ( -6.207 0.000 0.000) 6.207 14.629 ( -1.937 0.000 0.000) 1.937 14.768 ( -5.561 0.000 0.000) 5.561 15.497 ( 6.103 0.000 0.000) 6.103 15.557 ( 1.499 0.000 0.000) 1.499 15.995 ( -11.043 0.000 0.000) 11.043 16.149 ( -5.340 0.000 0.000) 5.340 17.690 ( 5.866 0.000 0.000) 5.866 17.768 ( 22.137 0.000 0.000) 22.137 18.173 ( 0.150 0.000 0.000) 0.150 18.743 ( -7.929 0.000 0.000) 7.929 19.064 ( 10.780 0.000 0.000) 10.780 20.134 ( 21.300 0.000 0.000) 21.300 22.649 ( 12.302 0.000 0.000) 12.302 22.653 ( -13.870 0.000 0.000) 13.870 23.466 ( -33.822 0.000 0.000) 33.822 24.019 ( 8.473 0.000 0.000) 8.473 24.368 ( -9.201 0.000 0.000) 9.201 25.490 ( -9.975 0.000 0.000) 9.975 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.30 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 35.738 0.000 0.000) 35.738 2.600 ( 32.691 0.000 0.000) 32.691 3.828 ( 1.610 0.000 0.000) 1.610 4.158 ( -20.743 0.000 0.000) 20.743 4.177 ( 11.253 0.000 0.000) 11.253 4.182 ( 1.624 0.000 0.000) 1.624 4.255 ( 3.335 0.000 0.000) 3.335 4.587 ( -1.765 0.000 0.000) 1.765 4.973 ( 17.639 0.000 0.000) 17.639 5.061 ( 29.437 0.000 0.000) 29.437 5.303 ( 11.208 0.000 0.000) 11.208 5.405 ( 25.156 0.000 0.000) 25.156 5.423 ( -8.337 0.000 0.000) 8.337 6.069 ( -53.117 0.000 0.000) 53.117 6.092 ( 4.093 0.000 0.000) 4.093 6.536 ( 4.369 0.000 0.000) 4.369 6.538 ( 7.191 0.000 0.000) 7.191 6.719 ( -15.156 0.000 0.000) 15.156 6.922 ( 9.906 0.000 0.000) 9.906 7.001 ( 1.283 0.000 0.000) 1.283 7.101 ( 4.687 0.000 0.000) 4.687 7.137 ( 6.900 0.000 0.000) 6.900 8.003 ( 0.068 0.000 0.000) 0.068 8.112 ( -0.346 0.000 0.000) 0.346 8.434 ( -12.259 0.000 0.000) 12.259 8.530 ( -21.096 0.000 0.000) 21.096 8.664 ( 11.319 0.000 0.000) 11.319 8.841 ( -25.838 0.000 0.000) 25.838 9.483 ( -0.885 0.000 0.000) 0.885 9.552 ( 18.533 0.000 0.000) 18.533 9.774 ( 9.031 0.000 0.000) 9.031 9.961 ( 24.385 0.000 0.000) 24.385 9.998 ( -3.831 0.000 0.000) 3.831 10.417 ( 1.745 0.000 0.000) 1.745 10.624 ( -25.690 0.000 0.000) 25.690 10.697 ( -5.528 0.000 0.000) 5.528 10.908 ( -3.301 0.000 0.000) 3.301 11.103 ( -17.559 0.000 0.000) 17.559 11.665 ( 15.189 0.000 0.000) 15.189 11.902 ( 20.014 0.000 0.000) 20.014 12.011 ( 16.678 0.000 0.000) 16.678 12.078 ( 5.783 0.000 0.000) 5.783 12.117 ( -15.897 0.000 0.000) 15.897 12.600 ( -13.849 0.000 0.000) 13.849 12.709 ( 0.736 0.000 0.000) 0.736 12.867 ( 3.766 0.000 0.000) 3.766 13.126 ( -5.678 0.000 0.000) 5.678 13.463 ( -4.892 0.000 0.000) 4.892 13.490 ( -24.803 0.000 0.000) 24.803 13.657 ( -1.433 0.000 0.000) 1.433 13.727 ( 6.608 0.000 0.000) 6.608 13.805 ( -18.442 0.000 0.000) 18.442 14.232 ( -6.229 0.000 0.000) 6.229 14.481 ( -3.214 0.000 0.000) 3.214 14.605 ( -1.278 0.000 0.000) 1.278 14.633 ( -8.484 0.000 0.000) 8.484 15.596 ( 2.561 0.000 0.000) 2.561 15.619 ( 6.128 0.000 0.000) 6.128 15.857 ( -3.622 0.000 0.000) 3.622 16.026 ( -7.003 0.000 0.000) 7.003 17.821 ( 7.502 0.000 0.000) 7.502 18.085 ( 9.891 0.000 0.000) 9.891 18.177 ( 0.254 0.000 0.000) 0.254 18.567 ( -9.858 0.000 0.000) 9.858 19.431 ( 27.306 0.000 0.000) 27.306 20.580 ( 23.815 0.000 0.000) 23.815 22.334 ( -18.588 0.000 0.000) 18.588 22.709 ( -42.868 0.000 0.000) 42.868 22.919 ( 15.123 0.000 0.000) 15.123 24.148 ( -13.072 0.000 0.000) 13.072 24.215 ( 11.453 0.000 0.000) 11.453 25.266 ( -12.717 0.000 0.000) 12.717 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 32.377 0.000 0.000) 32.377 3.139 ( 22.967 0.000 0.000) 22.967 3.742 ( -8.513 0.000 0.000) 8.513 3.870 ( -5.438 0.000 0.000) 5.438 3.967 ( -18.002 0.000 0.000) 18.002 4.246 ( 0.389 0.000 0.000) 0.389 4.280 ( -0.341 0.000 0.000) 0.341 4.703 ( 5.103 0.000 0.000) 5.103 5.060 ( -44.029 0.000 0.000) 44.029 5.210 ( -11.523 0.000 0.000) 11.523 5.364 ( 19.010 0.000 0.000) 19.010 5.394 ( 9.638 0.000 0.000) 9.638 5.489 ( 9.110 0.000 0.000) 9.110 5.887 ( 8.723 0.000 0.000) 8.723 6.251 ( 9.405 0.000 0.000) 9.405 6.513 ( -6.797 0.000 0.000) 6.797 6.651 ( 4.407 0.000 0.000) 4.407 6.695 ( 7.222 0.000 0.000) 7.222 7.037 ( 2.655 0.000 0.000) 2.655 7.084 ( 5.413 0.000 0.000) 5.413 7.312 ( 10.907 0.000 0.000) 10.907 7.342 ( 22.464 0.000 0.000) 22.464 8.046 ( 3.124 0.000 0.000) 3.124 8.069 ( -5.915 0.000 0.000) 5.915 8.208 ( -7.398 0.000 0.000) 7.398 8.245 ( -1.900 0.000 0.000) 1.900 8.385 ( -19.904 0.000 0.000) 19.904 8.922 ( 12.591 0.000 0.000) 12.591 9.540 ( 5.736 0.000 0.000) 5.736 9.609 ( -6.096 0.000 0.000) 6.096 9.837 ( -42.985 0.000 0.000) 42.985 9.862 ( -9.000 0.000 0.000) 9.000 10.126 ( 16.987 0.000 0.000) 16.987 10.368 ( 7.387 0.000 0.000) 7.387 10.499 ( 5.820 0.000 0.000) 5.820 10.703 ( 9.186 0.000 0.000) 9.186 10.780 ( -8.028 0.000 0.000) 8.028 11.017 ( 6.511 0.000 0.000) 6.511 11.782 ( -15.986 0.000 0.000) 15.986 11.979 ( 17.044 0.000 0.000) 17.044 12.184 ( -11.102 0.000 0.000) 11.102 12.234 ( 13.701 0.000 0.000) 13.701 12.301 ( -0.114 0.000 0.000) 0.114 12.330 ( 13.061 0.000 0.000) 13.061 12.694 ( -16.369 0.000 0.000) 16.369 12.729 ( -1.799 0.000 0.000) 1.799 13.045 ( -1.437 0.000 0.000) 1.437 13.094 ( -12.021 0.000 0.000) 12.021 13.332 ( -10.137 0.000 0.000) 10.137 13.440 ( -18.167 0.000 0.000) 18.167 13.803 ( 13.187 0.000 0.000) 13.187 13.846 ( 5.532 0.000 0.000) 5.532 14.121 ( -4.236 0.000 0.000) 4.236 14.434 ( -11.821 0.000 0.000) 11.821 14.462 ( 1.076 0.000 0.000) 1.076 14.567 ( -2.685 0.000 0.000) 2.685 15.660 ( 4.112 0.000 0.000) 4.112 15.727 ( 4.674 0.000 0.000) 4.674 15.822 ( -0.892 0.000 0.000) 0.892 15.886 ( -7.114 0.000 0.000) 7.114 17.981 ( 8.917 0.000 0.000) 8.917 18.184 ( 0.537 0.000 0.000) 0.537 18.187 ( 1.880 0.000 0.000) 1.880 18.367 ( -10.448 0.000 0.000) 10.448 20.095 ( 39.522 0.000 0.000) 39.522 21.047 ( 23.874 0.000 0.000) 23.874 21.830 ( -46.421 0.000 0.000) 46.421 21.940 ( -21.465 0.000 0.000) 21.465 23.229 ( 16.411 0.000 0.000) 16.411 23.867 ( -15.524 0.000 0.000) 15.524 24.458 ( 13.324 0.000 0.000) 13.324 25.004 ( -14.001 0.000 0.000) 14.001 ======================= Grid point 5 (6/90) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( -15.312 0.000 0.000) 15.312 3.510 ( 15.312 0.000 0.000) 15.312 3.622 ( -17.642 0.000 0.000) 17.642 3.622 ( 17.642 0.000 0.000) 17.642 4.132 ( -33.791 0.000 0.000) 33.791 4.132 ( 33.791 0.000 0.000) 33.791 4.260 ( -1.211 0.000 0.000) 1.211 4.260 ( 1.211 0.000 0.000) 1.211 4.994 ( -10.683 0.000 0.000) 10.683 4.994 ( 10.683 0.000 0.000) 10.683 5.497 ( -0.943 0.000 0.000) 0.943 5.497 ( 0.943 0.000 0.000) 0.943 5.787 ( -14.693 0.000 0.000) 14.693 5.787 ( 14.693 0.000 0.000) 14.693 6.403 ( -5.922 0.000 0.000) 5.922 6.403 ( 5.922 0.000 0.000) 5.922 6.717 ( -2.347 0.000 0.000) 2.347 6.717 ( 2.347 0.000 0.000) 2.347 7.100 ( -2.871 0.000 0.000) 2.871 7.100 ( 2.871 0.000 0.000) 2.871 7.520 ( -7.286 0.000 0.000) 7.286 7.520 ( 7.286 0.000 0.000) 7.286 8.041 ( -4.652 0.000 0.000) 4.652 8.041 ( 4.652 0.000 0.000) 4.652 8.161 ( -0.856 0.000 0.000) 0.856 8.161 ( 0.856 0.000 0.000) 0.856 8.687 ( -39.965 0.000 0.000) 39.965 8.687 ( 39.965 0.000 0.000) 39.965 9.429 ( -8.159 0.000 0.000) 8.159 9.429 ( 8.159 0.000 0.000) 8.159 9.684 ( -8.675 0.000 0.000) 8.675 9.684 ( 8.675 0.000 0.000) 8.675 10.340 ( -6.981 0.000 0.000) 6.981 10.340 ( 6.981 0.000 0.000) 6.981 10.628 ( -7.273 0.000 0.000) 7.273 10.628 ( 7.273 0.000 0.000) 7.273 11.007 ( -14.875 0.000 0.000) 14.875 11.007 ( 14.875 0.000 0.000) 14.875 11.769 ( -18.210 0.000 0.000) 18.210 11.769 ( 18.210 0.000 0.000) 18.210 12.320 ( -15.902 0.000 0.000) 15.902 12.320 ( 15.902 0.000 0.000) 15.902 12.436 ( -0.812 0.000 0.000) 0.812 12.436 ( 0.812 0.000 0.000) 0.812 12.531 ( -14.459 0.000 0.000) 14.459 12.531 ( 14.459 0.000 0.000) 14.459 13.123 ( -9.284 0.000 0.000) 9.284 13.123 ( 9.284 0.000 0.000) 9.284 13.134 ( -11.961 0.000 0.000) 11.961 13.134 ( 11.961 0.000 0.000) 11.961 13.934 ( -2.286 0.000 0.000) 2.286 13.934 ( 2.286 0.000 0.000) 2.286 14.187 ( -12.114 0.000 0.000) 12.114 14.187 ( 12.114 0.000 0.000) 12.114 14.507 ( -3.117 0.000 0.000) 3.117 14.507 ( 3.117 0.000 0.000) 3.117 15.758 ( -5.883 0.000 0.000) 5.883 15.758 ( 5.883 0.000 0.000) 5.883 15.795 ( -2.291 0.000 0.000) 2.291 15.795 ( 2.291 0.000 0.000) 2.291 18.166 ( -10.019 0.000 0.000) 10.019 18.166 ( 10.019 0.000 0.000) 10.019 18.195 ( -0.414 0.000 0.000) 0.414 18.195 ( 0.414 0.000 0.000) 0.414 20.929 ( -45.223 0.000 0.000) 45.223 20.929 ( 45.223 0.000 0.000) 45.223 21.505 ( -23.031 0.000 0.000) 23.031 21.505 ( 23.031 0.000 0.000) 23.031 23.552 ( -16.575 0.000 0.000) 16.575 23.552 ( 16.575 0.000 0.000) 16.575 24.728 ( -14.156 0.000 0.000) 14.156 24.728 ( 14.156 0.000 0.000) 14.156 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.00 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 43.370 0.000) 43.370 1.053 ( 0.000 47.260 0.000) 47.260 1.811 ( 0.000 81.687 0.000) 81.687 3.246 ( 0.000 -26.021 0.000) 26.021 3.454 ( 0.000 -18.017 0.000) 18.017 4.181 ( 0.000 15.668 0.000) 15.668 4.463 ( 0.000 4.850 0.000) 4.850 4.679 ( 0.000 -1.966 0.000) 1.966 4.766 ( 0.000 -5.176 0.000) 5.176 4.842 ( 0.000 8.961 0.000) 8.961 5.107 ( 0.000 22.885 0.000) 22.885 5.396 ( 0.000 -1.331 0.000) 1.331 5.802 ( 0.000 -14.280 0.000) 14.280 5.851 ( 0.000 12.671 0.000) 12.671 5.970 ( 0.000 -17.377 0.000) 17.377 6.284 ( 0.000 -0.197 0.000) 0.197 6.446 ( 0.000 -5.730 0.000) 5.730 6.984 ( 0.000 -2.851 0.000) 2.851 7.002 ( 0.000 5.897 0.000) 5.897 7.062 ( 0.000 8.622 0.000) 8.622 7.241 ( 0.000 2.196 0.000) 2.196 7.342 ( 0.000 -52.304 0.000) 52.304 7.726 ( 0.000 -41.731 0.000) 41.731 8.083 ( 0.000 -17.381 0.000) 17.381 8.672 ( 0.000 6.968 0.000) 6.968 9.014 ( 0.000 -0.049 0.000) 0.049 9.065 ( 0.000 -3.814 0.000) 3.814 9.462 ( 0.000 -13.874 0.000) 13.874 9.591 ( 0.000 13.091 0.000) 13.091 9.656 ( 0.000 27.766 0.000) 27.766 9.675 ( 0.000 7.765 0.000) 7.765 9.891 ( 0.000 35.511 0.000) 35.511 10.265 ( 0.000 -4.585 0.000) 4.585 10.314 ( 0.000 13.024 0.000) 13.024 10.584 ( 0.000 -3.688 0.000) 3.688 10.675 ( 0.000 -16.923 0.000) 16.923 10.975 ( 0.000 -0.705 0.000) 0.705 11.016 ( 0.000 -0.637 0.000) 0.637 11.311 ( 0.000 9.530 0.000) 9.530 11.525 ( 0.000 7.689 0.000) 7.689 11.592 ( 0.000 17.608 0.000) 17.608 12.160 ( 0.000 4.100 0.000) 4.100 12.180 ( 0.000 1.612 0.000) 1.612 12.517 ( 0.000 0.165 0.000) 0.165 12.767 ( 0.000 -6.041 0.000) 6.041 13.246 ( 0.000 -4.807 0.000) 4.807 13.249 ( 0.000 -0.202 0.000) 0.202 13.316 ( 0.000 -14.881 0.000) 14.881 13.941 ( 0.000 -10.224 0.000) 10.224 14.042 ( 0.000 -22.589 0.000) 22.589 14.134 ( 0.000 0.806 0.000) 0.806 14.394 ( 0.000 -5.978 0.000) 5.978 14.432 ( 0.000 4.594 0.000) 4.594 14.827 ( 0.000 -3.599 0.000) 3.599 14.997 ( 0.000 12.710 0.000) 12.710 15.002 ( 0.000 8.392 0.000) 8.392 15.578 ( 0.000 8.428 0.000) 8.428 15.886 ( 0.000 4.506 0.000) 4.506 16.224 ( 0.000 -2.821 0.000) 2.821 16.710 ( 0.000 -13.753 0.000) 13.753 16.872 ( 0.000 20.949 0.000) 20.949 17.684 ( 0.000 8.223 0.000) 8.223 18.233 ( 0.000 5.780 0.000) 5.780 18.835 ( 0.000 -6.726 0.000) 6.726 18.881 ( 0.000 -4.483 0.000) 4.483 19.346 ( 0.000 -23.388 0.000) 23.388 22.626 ( 0.000 19.358 0.000) 19.358 23.759 ( 0.000 -8.001 0.000) 8.001 23.973 ( 0.000 1.832 0.000) 1.832 24.163 ( 0.000 -2.183 0.000) 2.183 25.352 ( 0.000 0.893 0.000) 0.893 25.429 ( 0.000 -0.764 0.000) 0.764 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.10 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 21.809 30.592 0.000) 37.570 1.370 ( 34.087 30.516 0.000) 45.751 2.531 ( 58.814 60.160 0.000) 84.133 3.375 ( -2.810 -22.833 0.000) 23.005 3.385 ( 13.582 -24.017 0.000) 27.592 4.215 ( 3.390 13.550 0.000) 13.967 4.413 ( 2.850 4.727 0.000) 5.520 4.649 ( -2.472 -1.808 0.000) 3.063 4.773 ( -1.099 -2.622 0.000) 2.842 4.874 ( 2.608 8.592 0.000) 8.979 5.137 ( 3.124 21.429 0.000) 21.656 5.336 ( -3.998 -0.405 0.000) 4.018 5.605 ( -11.467 4.675 0.000) 12.383 6.010 ( 3.439 -18.100 0.000) 18.424 6.160 ( 10.648 -4.951 0.000) 11.743 6.437 ( 10.145 0.865 0.000) 10.182 6.676 ( 17.894 -1.718 0.000) 17.976 6.986 ( 2.142 -5.460 0.000) 5.865 7.002 ( -0.893 1.946 0.000) 2.141 7.050 ( -0.736 7.293 0.000) 7.330 7.225 ( -2.102 3.771 0.000) 4.318 7.398 ( 8.010 -50.316 0.000) 50.950 7.609 ( -14.137 -27.306 0.000) 30.748 8.064 ( -2.165 -16.102 0.000) 16.247 8.558 ( -30.913 -4.901 0.000) 31.299 8.568 ( -7.656 5.907 0.000) 9.670 8.767 ( -20.217 -6.989 0.000) 21.391 9.230 ( -10.042 -5.919 0.000) 11.656 9.641 ( -4.653 9.532 0.000) 10.607 9.831 ( -1.479 30.404 0.000) 30.440 9.873 ( 9.947 9.798 0.000) 13.962 9.935 ( 16.325 7.090 0.000) 17.798 9.977 ( -22.253 5.993 0.000) 23.046 10.305 ( 6.311 -1.885 0.000) 6.586 10.653 ( -10.658 1.240 0.000) 10.730 10.688 ( 0.512 -8.060 0.000) 8.076 10.946 ( 9.364 0.875 0.000) 9.405 11.199 ( 12.020 -16.009 0.000) 20.020 11.293 ( 6.951 17.965 0.000) 19.263 11.619 ( 2.272 17.372 0.000) 17.520 11.927 ( 17.053 -2.244 0.000) 17.200 12.080 ( -1.803 4.433 0.000) 4.786 12.190 ( 1.903 3.316 0.000) 3.823 12.482 ( -3.850 -0.905 0.000) 3.955 12.750 ( -1.388 -3.625 0.000) 3.882 13.155 ( -8.240 4.717 0.000) 9.494 13.285 ( 3.403 -3.499 0.000) 4.881 13.374 ( 5.144 -13.431 0.000) 14.382 13.636 ( -14.406 -0.347 0.000) 14.410 14.033 ( -9.958 0.541 0.000) 9.972 14.195 ( 2.673 -17.928 0.000) 18.127 14.279 ( -11.611 -4.839 0.000) 12.579 14.416 ( -1.965 1.972 0.000) 2.784 14.753 ( -6.539 -1.356 0.000) 6.678 14.912 ( -6.887 12.767 0.000) 14.506 14.974 ( -4.296 10.290 0.000) 11.151 15.566 ( -0.792 6.506 0.000) 6.554 15.643 ( -13.167 13.916 0.000) 19.158 16.209 ( -2.560 -2.810 0.000) 3.801 16.354 ( -18.887 1.091 0.000) 18.919 17.276 ( 23.372 4.385 0.000) 23.780 17.723 ( 4.260 7.910 0.000) 8.984 18.221 ( -0.769 5.216 0.000) 5.272 18.803 ( -3.638 -6.237 0.000) 7.220 18.910 ( 3.605 -3.402 0.000) 4.957 19.496 ( 14.503 -22.478 0.000) 26.751 22.695 ( 6.926 19.114 0.000) 20.330 23.538 ( -34.593 22.073 0.000) 41.036 23.806 ( 4.784 -7.761 0.000) 9.117 23.969 ( -19.358 -2.166 0.000) 19.479 24.824 ( -19.319 21.222 0.000) 28.698 25.556 ( -2.790 -6.600 0.000) 7.165 ======================= Grid point 13 (9/90) ======================= q-point: ( 0.20 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 34.133 8.311 0.000) 35.130 2.097 ( 37.678 19.820 0.000) 42.573 3.402 ( 3.893 -28.977 0.000) 29.237 3.731 ( 55.462 39.770 0.000) 68.247 3.734 ( 20.828 -18.506 0.000) 27.862 4.297 ( 4.338 9.938 0.000) 10.843 4.582 ( 13.096 2.729 0.000) 13.378 4.610 ( -1.424 -1.662 0.000) 2.189 4.702 ( -4.180 5.406 0.000) 6.834 4.897 ( -0.769 7.682 0.000) 7.720 5.239 ( 7.302 14.889 0.000) 16.583 5.262 ( -2.532 3.469 0.000) 4.295 5.516 ( 3.372 4.838 0.000) 5.897 6.049 ( -1.926 -21.662 0.000) 21.748 6.126 ( -10.966 -2.680 0.000) 11.288 6.568 ( 2.206 3.911 0.000) 4.490 6.829 ( 2.443 3.122 0.000) 3.964 6.847 ( -20.026 -17.544 0.000) 26.624 7.050 ( 0.456 6.428 0.000) 6.445 7.138 ( 9.119 7.344 0.000) 11.709 7.163 ( -7.130 16.286 0.000) 17.778 7.232 ( -13.009 2.459 0.000) 13.239 7.725 ( 21.809 -46.437 0.000) 51.303 7.978 ( -4.907 -8.988 0.000) 10.240 8.091 ( -16.028 -16.415 0.000) 22.942 8.461 ( -8.465 -26.408 0.000) 27.731 8.524 ( 3.809 1.242 0.000) 4.007 9.167 ( -1.075 -15.097 0.000) 15.135 9.408 ( -16.457 17.572 0.000) 24.075 9.545 ( -15.385 4.881 0.000) 16.141 9.840 ( 1.189 18.117 0.000) 18.156 10.029 ( 5.330 -3.230 0.000) 6.232 10.145 ( 5.906 21.785 0.000) 22.571 10.421 ( 2.889 -17.520 0.000) 17.756 10.476 ( -5.600 9.200 0.000) 10.770 10.775 ( 6.937 -6.457 0.000) 9.477 11.009 ( -3.656 6.156 0.000) 7.159 11.360 ( 6.389 -21.637 0.000) 22.561 11.537 ( 5.084 6.913 0.000) 8.581 11.699 ( -10.562 6.768 0.000) 12.544 11.699 ( 6.119 18.633 0.000) 19.612 12.223 ( 2.596 5.332 0.000) 5.930 12.360 ( -7.987 -0.700 0.000) 8.018 12.482 ( 19.666 -4.787 0.000) 20.240 12.740 ( 1.780 1.832 0.000) 2.555 12.990 ( -8.453 9.766 0.000) 12.916 13.289 ( -5.764 2.023 0.000) 6.108 13.450 ( 0.165 -9.919 0.000) 9.920 13.519 ( 3.227 -2.720 0.000) 4.221 13.790 ( -12.685 -0.143 0.000) 12.685 13.957 ( -19.808 -2.474 0.000) 19.962 14.128 ( -8.545 -7.194 0.000) 11.170 14.360 ( -3.760 1.558 0.000) 4.070 14.626 ( -5.272 -1.578 0.000) 5.503 14.756 ( -8.312 12.616 0.000) 15.108 14.854 ( -7.392 9.034 0.000) 11.673 15.527 ( -0.278 4.176 0.000) 4.185 15.562 ( 0.574 3.407 0.000) 3.455 16.054 ( -11.664 2.202 0.000) 11.870 16.127 ( -5.506 -3.065 0.000) 6.302 17.648 ( 12.969 0.617 0.000) 12.984 17.872 ( 11.251 4.871 0.000) 12.260 18.209 ( -0.509 3.765 0.000) 3.800 18.694 ( -7.292 -4.871 0.000) 8.769 19.064 ( 13.483 0.487 0.000) 13.492 19.867 ( 22.483 -20.869 0.000) 30.676 22.883 ( 11.857 18.504 0.000) 21.977 22.928 ( -27.786 17.434 0.000) 32.803 23.442 ( -33.758 -2.234 0.000) 33.832 23.941 ( 8.845 -7.192 0.000) 11.400 24.557 ( -11.652 15.616 0.000) 19.484 25.423 ( -9.688 -6.028 0.000) 11.410 ======================= Grid point 14 (10/90) ======================= q-point: ( 0.30 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 31.696 -0.345 0.000) 31.698 2.778 ( 31.400 15.742 0.000) 35.125 3.468 ( 2.437 -25.087 0.000) 25.205 4.129 ( 16.212 -8.060 0.000) 18.106 4.208 ( -3.309 16.312 0.000) 16.645 4.341 ( -1.853 7.924 0.000) 8.138 4.533 ( -5.610 -1.086 0.000) 5.714 4.547 ( -5.609 15.081 0.000) 16.091 4.945 ( 9.233 -3.271 0.000) 9.796 5.142 ( 22.403 6.000 0.000) 23.192 5.376 ( 2.654 3.728 0.000) 4.576 5.378 ( 11.096 0.598 0.000) 11.112 5.594 ( 9.133 14.330 0.000) 16.993 5.743 ( -30.154 -17.968 0.000) 35.102 6.021 ( 7.737 -5.235 0.000) 9.341 6.426 ( -13.113 -12.190 0.000) 17.904 6.561 ( 1.252 0.863 0.000) 1.520 6.887 ( 3.407 -1.619 0.000) 3.772 6.952 ( -6.200 14.075 0.000) 15.380 7.061 ( -0.373 6.413 0.000) 6.424 7.237 ( 4.312 8.263 0.000) 9.320 7.291 ( 6.780 11.333 0.000) 13.207 7.775 ( -10.149 -28.779 0.000) 30.516 7.954 ( 2.533 -4.231 0.000) 4.931 8.097 ( 6.738 -4.998 0.000) 8.390 8.571 ( 19.587 -45.319 0.000) 49.371 8.675 ( 10.791 1.092 0.000) 10.846 8.910 ( -19.663 5.002 0.000) 20.290 9.059 ( -18.210 22.961 0.000) 29.306 9.577 ( 9.697 -17.091 0.000) 19.650 9.866 ( 1.510 8.067 0.000) 8.208 10.122 ( 4.691 -14.906 0.000) 15.626 10.189 ( -0.928 20.362 0.000) 20.383 10.422 ( -0.247 16.002 0.000) 16.004 10.467 ( 2.046 -15.415 0.000) 15.550 10.733 ( -27.933 5.751 0.000) 28.519 10.827 ( -0.049 -5.838 0.000) 5.838 11.250 ( -10.850 11.041 0.000) 15.480 11.553 ( 13.015 -18.872 0.000) 22.925 11.840 ( 8.245 10.109 0.000) 13.045 11.859 ( 4.796 -4.564 0.000) 6.621 12.198 ( -5.065 6.549 0.000) 8.279 12.320 ( 6.589 7.237 0.000) 9.787 12.664 ( 2.606 -5.112 0.000) 5.738 12.795 ( -11.878 9.736 0.000) 15.358 12.825 ( -0.300 -0.896 0.000) 0.945 13.139 ( -7.739 0.133 0.000) 7.741 13.313 ( -13.177 -8.159 0.000) 15.499 13.609 ( -10.332 4.285 0.000) 11.185 13.610 ( 1.869 -0.306 0.000) 1.894 13.661 ( -1.260 0.284 0.000) 1.292 13.927 ( -8.932 1.222 0.000) 9.015 14.258 ( -6.640 2.827 0.000) 7.216 14.576 ( -0.008 -2.846 0.000) 2.846 14.603 ( -7.798 7.053 0.000) 10.515 14.704 ( -7.210 9.506 0.000) 11.931 15.572 ( 3.864 -2.543 0.000) 4.625 15.587 ( 1.892 1.137 0.000) 2.207 15.895 ( -5.089 1.310 0.000) 5.255 16.006 ( -6.595 -3.128 0.000) 7.299 17.832 ( 7.919 1.468 0.000) 8.054 18.073 ( 7.391 -1.414 0.000) 7.525 18.199 ( -0.535 2.290 0.000) 2.352 18.531 ( -9.156 -3.480 0.000) 9.794 19.471 ( 28.255 3.940 0.000) 28.528 20.341 ( 25.605 -18.648 0.000) 31.675 22.409 ( -26.274 5.750 0.000) 26.896 22.691 ( -42.181 -1.679 0.000) 42.215 23.143 ( 14.508 17.691 0.000) 22.879 24.144 ( 11.765 -6.596 0.000) 13.488 24.318 ( -13.133 14.204 0.000) 19.345 25.202 ( -12.663 -5.980 0.000) 14.004 ======================= Grid point 15 (11/90) ======================= q-point: ( 0.40 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 30.488 -5.334 0.000) 30.951 3.308 ( 22.827 15.058 0.000) 27.346 3.526 ( 5.699 -15.409 0.000) 16.429 4.000 ( -21.009 3.321 0.000) 21.270 4.006 ( -13.143 14.789 0.000) 19.785 4.327 ( -4.947 3.102 0.000) 5.839 4.481 ( -1.530 14.258 0.000) 14.340 4.631 ( 10.146 -5.855 0.000) 11.714 4.843 ( -34.965 -15.843 0.000) 38.387 5.138 ( -11.741 -4.378 0.000) 12.531 5.256 ( 19.046 -11.551 0.000) 22.275 5.500 ( 7.465 7.316 0.000) 10.452 5.581 ( 3.330 8.097 0.000) 8.755 5.849 ( 2.018 -4.574 0.000) 5.000 6.167 ( 1.333 -9.724 0.000) 9.814 6.287 ( -4.001 -11.960 0.000) 12.611 6.792 ( 10.385 9.430 0.000) 14.028 6.910 ( 0.114 12.384 0.000) 12.384 7.051 ( 0.248 1.348 0.000) 1.371 7.062 ( 17.957 2.067 0.000) 18.076 7.335 ( -3.025 -8.267 0.000) 8.803 7.342 ( 5.416 5.440 0.000) 7.677 7.800 ( 20.008 -2.724 0.000) 20.193 8.041 ( 5.247 -2.442 0.000) 5.787 8.159 ( 1.094 -0.910 0.000) 1.423 8.557 ( -14.027 14.996 0.000) 20.534 8.745 ( -12.219 25.050 0.000) 27.872 8.912 ( 10.062 0.145 0.000) 10.063 8.988 ( 18.667 -29.655 0.000) 35.041 9.606 ( -13.184 -13.172 0.000) 18.636 9.879 ( -1.532 6.077 0.000) 6.267 10.061 ( -29.170 10.412 0.000) 30.972 10.178 ( 2.453 2.277 0.000) 3.347 10.209 ( 4.007 -20.440 0.000) 20.829 10.440 ( -4.628 -16.954 0.000) 17.574 10.456 ( -0.427 5.463 0.000) 5.480 10.917 ( 10.352 8.359 0.000) 13.306 11.209 ( 4.667 12.368 0.000) 13.220 11.718 ( -12.413 -4.748 0.000) 13.290 11.785 ( 7.867 -18.235 0.000) 19.859 12.031 ( 11.338 1.116 0.000) 11.393 12.261 ( 6.729 2.588 0.000) 7.209 12.355 ( -6.095 11.885 0.000) 13.356 12.614 ( -12.618 -6.301 0.000) 14.104 12.624 ( -1.763 2.860 0.000) 3.360 12.687 ( -6.859 -2.226 0.000) 7.211 13.026 ( -2.547 -1.970 0.000) 3.220 13.086 ( -5.340 -2.751 0.000) 6.006 13.412 ( -9.893 6.265 0.000) 11.710 13.482 ( -11.806 6.383 0.000) 13.421 13.835 ( 14.230 -1.058 0.000) 14.270 13.902 ( 4.042 1.715 0.000) 4.391 14.127 ( -5.980 5.237 0.000) 7.949 14.414 ( -11.825 3.078 0.000) 12.219 14.592 ( 0.865 1.085 0.000) 1.387 14.613 ( -2.043 9.732 0.000) 9.944 15.631 ( 2.467 -1.159 0.000) 2.726 15.647 ( 3.234 -4.945 0.000) 5.909 15.835 ( -1.597 -0.298 0.000) 1.625 15.886 ( -5.229 -2.050 0.000) 5.617 17.988 ( 8.327 0.795 0.000) 8.365 18.160 ( 2.194 -2.405 0.000) 3.255 18.189 ( -0.472 0.606 0.000) 0.768 18.346 ( -9.602 -1.986 0.000) 9.805 20.133 ( 38.595 3.598 0.000) 38.763 20.853 ( 26.679 -15.125 0.000) 30.668 21.813 ( -43.362 -1.018 0.000) 43.374 21.909 ( -28.720 -2.476 0.000) 28.826 23.438 ( 15.607 16.701 0.000) 22.859 24.044 ( -14.847 14.585 0.000) 20.813 24.392 ( 13.503 -6.182 0.000) 14.851 24.940 ( -13.987 -5.953 0.000) 15.201 ======================= Grid point 16 (12/90) ======================= q-point: (-0.50 0.20 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( -15.026 -0.159 0.000) 15.027 3.546 ( 15.026 -0.159 0.000) 15.027 3.720 ( -6.262 12.278 0.000) 13.782 3.720 ( 6.262 12.278 0.000) 13.782 3.879 ( -26.765 -12.442 0.000) 29.516 3.879 ( 26.765 -12.442 0.000) 29.516 4.484 ( -2.584 11.008 0.000) 11.307 4.484 ( 2.584 11.008 0.000) 11.307 4.903 ( -12.103 -7.233 0.000) 14.100 4.903 ( 12.103 -7.233 0.000) 14.100 5.584 ( -1.771 4.854 0.000) 5.167 5.584 ( 1.771 4.854 0.000) 5.167 5.661 ( -14.572 -10.569 0.000) 18.001 5.661 ( 14.572 -10.569 0.000) 18.001 6.221 ( -3.444 -12.019 0.000) 12.503 6.221 ( 3.444 -12.019 0.000) 12.503 6.886 ( -2.819 9.295 0.000) 9.713 6.886 ( 2.819 9.295 0.000) 9.713 7.118 ( -6.119 0.279 0.000) 6.126 7.118 ( 6.119 0.279 0.000) 6.126 7.386 ( -2.603 -1.409 0.000) 2.960 7.386 ( 2.603 -1.409 0.000) 2.960 8.116 ( -1.494 -3.414 0.000) 3.727 8.116 ( 1.494 -3.414 0.000) 3.727 8.351 ( -13.353 18.572 0.000) 22.874 8.351 ( 13.353 18.572 0.000) 22.874 8.783 ( -23.380 9.277 0.000) 25.153 8.783 ( 23.380 9.277 0.000) 25.153 9.233 ( -8.873 -11.307 0.000) 14.373 9.233 ( 8.873 -11.307 0.000) 14.373 9.835 ( -0.442 7.054 0.000) 7.068 9.835 ( 0.442 7.054 0.000) 7.068 10.269 ( -0.881 -11.411 0.000) 11.445 10.269 ( 0.881 -11.411 0.000) 11.445 10.379 ( -2.838 -12.466 0.000) 12.785 10.379 ( 2.838 -12.466 0.000) 12.785 11.169 ( -12.383 10.319 0.000) 16.119 11.169 ( 12.383 10.319 0.000) 16.119 11.710 ( -11.973 -5.879 0.000) 13.338 11.710 ( 11.973 -5.879 0.000) 13.338 12.262 ( -10.403 -2.648 0.000) 10.734 12.262 ( 10.403 -2.648 0.000) 10.734 12.357 ( -8.492 3.445 0.000) 9.164 12.357 ( 8.492 3.445 0.000) 9.164 12.600 ( -0.695 -3.849 0.000) 3.912 12.600 ( 0.695 -3.849 0.000) 3.912 13.060 ( -2.801 -4.755 0.000) 5.518 13.060 ( 2.801 -4.755 0.000) 5.518 13.303 ( -2.846 12.163 0.000) 12.492 13.303 ( 2.846 12.163 0.000) 12.492 13.989 ( -3.527 -4.213 0.000) 5.495 13.989 ( 3.527 -4.213 0.000) 5.495 14.159 ( -13.180 8.143 0.000) 15.493 14.159 ( 13.180 8.143 0.000) 15.493 14.599 ( -0.057 5.904 0.000) 5.904 14.599 ( 0.057 5.904 0.000) 5.904 15.672 ( -1.008 -4.194 0.000) 4.313 15.672 ( 1.008 -4.194 0.000) 4.313 15.824 ( -0.855 -0.854 0.000) 1.209 15.824 ( 0.855 -0.854 0.000) 1.209 18.156 ( -7.899 -0.720 0.000) 7.932 18.156 ( 7.899 -0.720 0.000) 7.932 18.186 ( -1.854 -0.920 0.000) 2.069 18.186 ( 1.854 -0.920 0.000) 2.069 20.944 ( -43.892 1.532 0.000) 43.919 20.944 ( 43.892 1.532 0.000) 43.919 21.377 ( -27.033 -9.887 0.000) 28.784 21.377 ( 27.033 -9.887 0.000) 28.784 23.745 ( -15.691 15.587 0.000) 22.117 23.745 ( 15.691 15.587 0.000) 22.117 24.663 ( -14.215 -5.989 0.000) 15.425 24.663 ( 14.215 -5.989 0.000) 15.425 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.00 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 38.096 0.000) 38.096 2.034 ( 0.000 42.209 0.000) 42.209 2.621 ( 0.000 -31.560 0.000) 31.560 2.852 ( 0.000 -30.445 0.000) 30.445 3.551 ( 0.000 69.632 0.000) 69.632 4.458 ( 0.000 9.740 0.000) 9.740 4.564 ( 0.000 -17.008 0.000) 17.008 4.611 ( 0.000 -4.676 0.000) 4.676 4.637 ( 0.000 12.282 0.000) 12.282 5.127 ( 0.000 16.673 0.000) 16.673 5.259 ( 0.000 -40.950 0.000) 40.950 5.485 ( 0.000 9.548 0.000) 9.548 5.540 ( 0.000 -20.468 0.000) 20.468 5.774 ( 0.000 37.197 0.000) 37.197 5.865 ( 0.000 -29.868 0.000) 29.868 6.098 ( 0.000 9.351 0.000) 9.351 6.249 ( 0.000 -4.689 0.000) 4.689 6.673 ( 0.000 -43.745 0.000) 43.745 6.829 ( 0.000 -0.270 0.000) 0.270 6.901 ( 0.000 -4.421 0.000) 4.421 7.178 ( 0.000 8.945 0.000) 8.945 7.318 ( 0.000 14.652 0.000) 14.652 7.330 ( 0.000 -4.226 0.000) 4.226 7.685 ( 0.000 -18.390 0.000) 18.390 8.849 ( 0.000 10.224 0.000) 10.224 8.978 ( 0.000 -1.032 0.000) 1.032 8.992 ( 0.000 -2.285 0.000) 2.285 9.130 ( 0.000 -15.090 0.000) 15.090 9.863 ( 0.000 11.390 0.000) 11.390 9.899 ( 0.000 11.637 0.000) 11.637 10.125 ( 0.000 -7.285 0.000) 7.285 10.148 ( 0.000 17.775 0.000) 17.775 10.255 ( 0.000 -14.221 0.000) 14.221 10.445 ( 0.000 -9.661 0.000) 9.661 10.611 ( 0.000 21.103 0.000) 21.103 10.622 ( 0.000 13.189 0.000) 13.189 10.862 ( 0.000 -8.778 0.000) 8.778 10.934 ( 0.000 -8.231 0.000) 8.231 11.584 ( 0.000 12.784 0.000) 12.784 11.700 ( 0.000 4.005 0.000) 4.005 12.000 ( 0.000 17.948 0.000) 17.948 12.226 ( 0.000 -1.128 0.000) 1.128 12.250 ( 0.000 5.756 0.000) 5.756 12.434 ( 0.000 -8.786 0.000) 8.786 12.713 ( 0.000 4.210 0.000) 4.210 12.949 ( 0.000 -16.205 0.000) 16.205 13.133 ( 0.000 -3.553 0.000) 3.553 13.181 ( 0.000 -6.404 0.000) 6.404 13.681 ( 0.000 -6.412 0.000) 6.412 13.728 ( 0.000 -7.773 0.000) 7.773 14.172 ( 0.000 2.930 0.000) 2.930 14.265 ( 0.000 -5.441 0.000) 5.441 14.544 ( 0.000 5.628 0.000) 5.628 14.685 ( 0.000 -7.363 0.000) 7.363 15.161 ( 0.000 4.888 0.000) 4.888 15.179 ( 0.000 3.683 0.000) 3.683 15.909 ( 0.000 19.547 0.000) 19.547 16.008 ( 0.000 6.181 0.000) 6.181 16.136 ( 0.000 -5.174 0.000) 5.174 16.344 ( 0.000 -19.147 0.000) 19.147 17.391 ( 0.000 24.047 0.000) 24.047 17.757 ( 0.000 -5.699 0.000) 5.699 18.409 ( 0.000 9.938 0.000) 9.938 18.640 ( 0.000 -10.515 0.000) 10.515 18.774 ( 0.000 -3.699 0.000) 3.699 18.862 ( 0.000 -15.196 0.000) 15.196 23.092 ( 0.000 21.284 0.000) 21.284 23.500 ( 0.000 -15.634 0.000) 15.634 24.028 ( 0.000 3.091 0.000) 3.091 24.100 ( 0.000 -3.308 0.000) 3.308 25.378 ( 0.000 1.329 0.000) 1.329 25.407 ( 0.000 -1.252 0.000) 1.252 ======================= Grid point 23 (14/90) ======================= q-point: ( 0.10 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.080 37.703 0.000) 37.703 2.099 ( 22.284 34.005 0.000) 40.656 2.750 ( -5.791 -30.931 0.000) 31.468 2.799 ( 17.259 -29.747 0.000) 34.392 3.955 ( 36.207 58.791 0.000) 69.046 4.463 ( 0.810 8.837 0.000) 8.874 4.579 ( 5.567 1.264 0.000) 5.708 4.597 ( -1.095 -3.749 0.000) 3.906 4.713 ( 3.553 6.386 0.000) 7.308 5.139 ( 0.823 15.733 0.000) 15.754 5.310 ( -1.274 -12.314 0.000) 12.379 5.520 ( -1.901 -14.268 0.000) 14.394 5.571 ( 5.191 -4.202 0.000) 6.678 5.807 ( 2.012 27.859 0.000) 27.932 5.884 ( 16.152 -38.782 0.000) 42.011 6.246 ( 7.386 3.548 0.000) 8.194 6.412 ( 12.958 -7.786 0.000) 15.117 6.585 ( -8.762 -37.051 0.000) 38.073 6.854 ( 2.511 2.581 0.000) 3.601 6.957 ( 5.873 -5.867 0.000) 8.302 7.236 ( 4.358 5.141 0.000) 6.739 7.243 ( -2.259 6.889 0.000) 7.250 7.448 ( 5.458 4.838 0.000) 7.293 7.703 ( 1.917 -16.108 0.000) 16.222 8.524 ( -35.377 1.774 0.000) 35.421 8.618 ( -30.767 -6.221 0.000) 31.389 8.719 ( -10.869 9.208 0.000) 14.245 8.979 ( -12.059 -13.756 0.000) 18.293 9.869 ( -4.593 9.154 0.000) 10.242 9.958 ( 6.111 0.572 0.000) 6.138 10.059 ( -10.180 5.741 0.000) 11.687 10.100 ( -20.529 2.644 0.000) 20.699 10.259 ( 8.992 3.383 0.000) 9.608 10.382 ( 8.022 -2.289 0.000) 8.342 10.604 ( 0.236 11.631 0.000) 11.633 10.759 ( 1.145 7.625 0.000) 7.711 10.907 ( -1.561 -12.225 0.000) 12.324 10.914 ( 8.937 -4.847 0.000) 10.167 11.674 ( 6.619 14.701 0.000) 16.122 11.874 ( 8.815 -4.071 0.000) 9.709 12.019 ( 1.910 16.319 0.000) 16.430 12.212 ( -0.012 7.883 0.000) 7.883 12.227 ( 0.275 -2.112 0.000) 2.130 12.397 ( -3.085 -7.531 0.000) 8.138 12.752 ( 4.067 6.378 0.000) 7.564 13.024 ( 7.225 -16.629 0.000) 18.131 13.188 ( -0.364 -0.803 0.000) 0.882 13.200 ( 5.882 -2.925 0.000) 6.569 13.601 ( -4.725 2.044 0.000) 5.148 13.798 ( 4.142 -15.425 0.000) 15.972 14.065 ( -10.528 2.665 0.000) 10.860 14.154 ( -10.953 -5.365 0.000) 12.196 14.507 ( -3.530 5.487 0.000) 6.525 14.644 ( -4.101 -6.784 0.000) 7.928 15.098 ( -5.971 5.625 0.000) 8.203 15.137 ( -4.386 2.640 0.000) 5.119 15.848 ( -5.254 17.102 0.000) 17.891 15.904 ( -9.038 10.401 0.000) 13.779 16.097 ( -4.120 -7.205 0.000) 8.300 16.206 ( -11.344 -13.644 0.000) 17.744 17.536 ( 11.873 16.424 0.000) 20.266 17.798 ( 3.933 -4.015 0.000) 5.620 18.389 ( -1.899 9.701 0.000) 9.885 18.615 ( -2.646 -10.303 0.000) 10.638 18.850 ( 8.635 -0.067 0.000) 8.635 19.018 ( 14.890 -16.835 0.000) 22.475 23.154 ( 6.251 20.910 0.000) 21.824 23.554 ( 5.449 -15.261 0.000) 16.205 23.792 ( -22.970 6.437 0.000) 23.855 23.901 ( -19.877 -3.970 0.000) 20.269 25.182 ( -13.130 12.014 0.000) 17.797 25.394 ( -5.232 -8.234 0.000) 9.756 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.20 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 16.304 24.197 0.000) 29.177 2.638 ( 30.770 27.833 0.000) 41.490 2.753 ( 6.168 -29.151 0.000) 29.796 3.239 ( 26.363 -26.140 0.000) 37.125 4.500 ( 3.071 7.370 0.000) 7.984 4.592 ( 1.127 -1.455 0.000) 1.841 4.670 ( 19.306 9.273 0.000) 21.418 4.729 ( -1.916 10.902 0.000) 11.069 4.820 ( 28.021 30.867 0.000) 41.689 5.107 ( -6.367 13.119 0.000) 14.582 5.303 ( 1.293 -3.064 0.000) 3.325 5.449 ( -6.890 -12.365 0.000) 14.155 5.684 ( 15.162 12.574 0.000) 19.698 5.806 ( -2.474 16.156 0.000) 16.344 6.187 ( -13.092 2.841 0.000) 13.397 6.342 ( -15.100 -26.587 0.000) 30.576 6.385 ( 16.635 -22.572 0.000) 28.039 6.713 ( 23.314 -29.087 0.000) 37.278 6.910 ( 3.887 4.098 0.000) 5.648 7.102 ( 6.718 -11.536 0.000) 13.349 7.206 ( -2.514 6.733 0.000) 7.187 7.278 ( -2.088 0.663 0.000) 2.191 7.497 ( 0.625 12.764 0.000) 12.780 7.748 ( 2.339 -11.196 0.000) 11.438 7.906 ( -22.716 3.410 0.000) 22.970 8.093 ( -17.216 -11.495 0.000) 20.701 8.586 ( 0.702 6.060 0.000) 6.101 8.822 ( -1.311 -14.849 0.000) 14.906 9.691 ( -18.086 7.983 0.000) 19.770 9.739 ( -8.590 13.917 0.000) 16.355 9.874 ( -9.227 -8.516 0.000) 12.556 10.034 ( -0.025 -13.698 0.000) 13.698 10.244 ( -5.026 17.221 0.000) 17.939 10.560 ( -4.863 -8.194 0.000) 9.528 10.618 ( 11.432 12.222 0.000) 16.735 10.787 ( 1.096 14.906 0.000) 14.946 10.954 ( 7.817 -16.330 0.000) 18.104 11.021 ( -0.010 -5.439 0.000) 5.439 11.717 ( -7.928 7.588 0.000) 10.974 11.802 ( -6.770 0.823 0.000) 6.820 12.064 ( 2.241 13.774 0.000) 13.955 12.254 ( 2.911 -3.227 0.000) 4.346 12.340 ( 1.540 -0.405 0.000) 1.592 12.380 ( 7.572 -3.741 0.000) 8.445 12.870 ( 6.980 10.890 0.000) 12.935 13.133 ( -5.644 5.257 0.000) 7.713 13.170 ( 4.882 -14.796 0.000) 15.580 13.251 ( -3.695 -4.854 0.000) 6.100 13.584 ( 4.797 8.991 0.000) 10.191 13.809 ( -13.309 2.146 0.000) 13.481 13.860 ( 1.667 -14.625 0.000) 14.720 13.880 ( -15.096 -3.948 0.000) 15.603 14.426 ( -4.241 4.379 0.000) 6.096 14.540 ( -5.706 -5.544 0.000) 7.956 14.946 ( -9.065 6.596 0.000) 11.210 15.019 ( -7.201 1.440 0.000) 7.343 15.725 ( -8.027 12.736 0.000) 15.055 15.748 ( -4.341 12.117 0.000) 12.871 15.986 ( -6.769 -9.863 0.000) 11.963 15.992 ( -9.481 -8.214 0.000) 12.544 17.753 ( 9.202 7.885 0.000) 12.118 17.898 ( 5.956 -3.372 0.000) 6.844 18.343 ( -2.727 8.166 0.000) 8.609 18.537 ( -5.205 -8.876 0.000) 10.290 19.128 ( 20.023 6.805 0.000) 21.148 19.404 ( 23.753 -18.514 0.000) 30.116 23.219 ( -33.586 9.268 0.000) 34.841 23.324 ( 10.868 20.030 0.000) 22.788 23.366 ( -33.724 -4.817 0.000) 34.066 23.705 ( 9.764 -14.391 0.000) 17.391 24.929 ( -12.668 16.409 0.000) 20.730 25.233 ( -10.490 -11.367 0.000) 15.468 ======================= Grid point 25 (16/90) ======================= q-point: ( 0.30 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 22.319 11.947 0.000) 25.316 2.939 ( 11.678 -22.435 0.000) 25.292 3.235 ( 29.373 24.621 0.000) 38.327 3.772 ( 27.097 -22.739 0.000) 35.373 4.568 ( 2.569 9.886 0.000) 10.214 4.611 ( -4.821 6.225 0.000) 7.873 4.642 ( -7.160 16.686 0.000) 18.158 4.764 ( -1.990 4.029 0.000) 4.494 4.861 ( -12.318 -1.076 0.000) 12.365 5.121 ( -28.915 -20.040 0.000) 35.181 5.294 ( 8.912 10.315 0.000) 13.631 5.426 ( 11.675 1.619 0.000) 11.786 5.764 ( 0.154 13.803 0.000) 13.804 5.813 ( -14.997 1.111 0.000) 15.038 5.992 ( -5.064 -6.244 0.000) 8.039 6.106 ( -6.987 -16.155 0.000) 17.601 6.640 ( 31.465 20.355 0.000) 37.475 6.909 ( 2.440 3.935 0.000) 4.629 7.122 ( -5.158 4.966 0.000) 7.160 7.125 ( 0.044 -13.966 0.000) 13.966 7.179 ( -5.898 0.702 0.000) 5.940 7.492 ( 40.679 -40.654 0.000) 57.511 7.535 ( 3.468 16.221 0.000) 16.588 7.736 ( 2.993 8.446 0.000) 8.961 7.816 ( 4.715 -9.015 0.000) 10.174 7.980 ( 2.502 -10.154 0.000) 10.458 8.729 ( 11.338 4.808 0.000) 12.315 8.898 ( 5.565 -8.332 0.000) 10.020 9.433 ( -7.159 7.443 0.000) 10.327 9.536 ( -11.792 20.915 0.000) 24.011 9.742 ( -4.042 -17.655 0.000) 18.112 9.952 ( -6.372 -13.628 0.000) 15.044 10.163 ( -3.818 6.318 0.000) 7.382 10.384 ( -10.700 -7.797 0.000) 13.240 10.744 ( -7.041 10.578 0.000) 12.707 10.831 ( -20.808 1.872 0.000) 20.892 10.870 ( 13.930 11.913 0.000) 18.330 11.180 ( 13.656 -15.430 0.000) 20.605 11.495 ( -7.475 10.638 0.000) 13.002 11.708 ( -5.037 -8.807 0.000) 10.146 12.104 ( 2.282 12.648 0.000) 12.852 12.333 ( 4.651 -6.511 0.000) 8.001 12.344 ( -0.188 6.459 0.000) 6.462 12.501 ( 2.851 -8.184 0.000) 8.666 12.905 ( -5.589 7.744 0.000) 9.550 12.962 ( -11.682 7.453 0.000) 13.857 13.100 ( -9.549 -4.151 0.000) 10.412 13.112 ( -9.895 -10.091 0.000) 14.133 13.659 ( -5.026 0.864 0.000) 5.099 13.666 ( -2.264 0.050 0.000) 2.264 13.700 ( 3.761 6.535 0.000) 7.541 13.852 ( -1.809 -6.532 0.000) 6.778 14.355 ( -2.556 5.618 0.000) 6.172 14.482 ( 1.044 -5.527 0.000) 5.625 14.767 ( -8.777 8.345 0.000) 12.111 14.878 ( -6.848 1.061 0.000) 6.930 15.618 ( -2.772 8.365 0.000) 8.812 15.687 ( -2.064 7.479 0.000) 7.758 15.849 ( -5.350 -5.710 0.000) 7.824 15.855 ( -6.124 -10.460 0.000) 12.121 17.900 ( 6.529 4.675 0.000) 8.031 18.009 ( 4.996 -4.503 0.000) 6.726 18.284 ( -3.200 5.477 0.000) 6.343 18.420 ( -6.642 -6.292 0.000) 9.150 19.617 ( 29.568 9.914 0.000) 31.185 19.919 ( 28.662 -17.717 0.000) 33.696 22.536 ( -35.917 5.328 0.000) 36.310 22.634 ( -40.312 -3.601 0.000) 40.473 23.564 ( 13.464 19.068 0.000) 23.343 23.925 ( 12.519 -13.497 0.000) 18.410 24.678 ( -13.246 16.966 0.000) 21.524 25.003 ( -12.834 -12.252 0.000) 17.743 ======================= Grid point 26 (17/90) ======================= q-point: ( 0.40 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 25.299 3.608 0.000) 25.555 3.199 ( 15.905 -13.264 0.000) 20.710 3.754 ( 23.266 24.320 0.000) 33.657 4.122 ( -25.912 6.995 0.000) 26.839 4.253 ( 6.113 -13.208 0.000) 14.554 4.389 ( -29.125 -16.192 0.000) 33.323 4.446 ( -12.577 21.301 0.000) 24.737 4.682 ( 4.433 6.617 0.000) 7.965 4.696 ( -4.225 1.224 0.000) 4.399 4.938 ( 11.105 -15.027 0.000) 18.685 5.129 ( -16.913 8.984 0.000) 19.151 5.570 ( -12.141 -20.729 0.000) 24.023 5.678 ( 3.009 5.452 0.000) 6.227 5.792 ( 1.328 10.784 0.000) 10.866 5.865 ( 5.428 -11.745 0.000) 12.939 6.035 ( -2.009 -11.311 0.000) 11.488 6.952 ( 2.357 4.479 0.000) 5.061 7.052 ( -1.817 2.632 0.000) 3.198 7.079 ( -4.039 0.220 0.000) 4.045 7.086 ( -0.443 -9.045 0.000) 9.056 7.400 ( 26.945 27.304 0.000) 38.361 7.610 ( 3.437 16.106 0.000) 16.468 7.908 ( 4.102 -9.996 0.000) 10.805 7.923 ( 11.066 -2.486 0.000) 11.342 8.036 ( 19.413 -2.873 0.000) 19.624 8.351 ( 36.809 -24.252 0.000) 44.080 8.886 ( 0.176 10.190 0.000) 10.191 8.986 ( 5.562 4.784 0.000) 7.337 9.309 ( -10.464 26.011 0.000) 28.037 9.371 ( -4.191 -0.982 0.000) 4.304 9.710 ( 0.170 -23.272 0.000) 23.272 9.832 ( -5.825 -17.907 0.000) 18.831 10.090 ( -3.363 0.431 0.000) 3.391 10.197 ( -6.925 -5.745 0.000) 8.998 10.312 ( -26.456 11.300 0.000) 28.768 10.493 ( -17.192 -3.722 0.000) 17.590 11.151 ( 14.209 12.282 0.000) 18.781 11.433 ( 11.084 -13.955 0.000) 17.821 11.458 ( 1.476 9.725 0.000) 9.836 11.615 ( -4.490 -5.023 0.000) 6.738 12.167 ( 4.247 10.121 0.000) 10.976 12.334 ( -0.277 3.998 0.000) 4.008 12.414 ( 2.969 -10.111 0.000) 10.537 12.456 ( -7.015 -7.172 0.000) 10.032 12.711 ( -12.361 11.434 0.000) 16.838 12.728 ( -9.853 7.057 0.000) 12.120 12.932 ( -6.451 -7.339 0.000) 9.771 12.940 ( -5.206 -9.992 0.000) 11.267 13.561 ( -3.413 7.036 0.000) 7.820 13.663 ( -5.893 8.386 0.000) 10.249 13.717 ( 3.621 -7.257 0.000) 8.110 13.832 ( -1.163 -6.868 0.000) 6.966 14.364 ( 3.807 12.292 0.000) 12.868 14.559 ( 5.559 -4.985 0.000) 7.466 14.613 ( -7.172 11.831 0.000) 13.835 14.760 ( -5.239 0.687 0.000) 5.284 15.606 ( 1.035 3.092 0.000) 3.261 15.658 ( -1.158 3.935 0.000) 4.101 15.763 ( -3.089 -8.537 0.000) 9.078 15.773 ( -2.766 -5.175 0.000) 5.868 18.023 ( 6.283 2.479 0.000) 6.755 18.091 ( 3.649 -3.523 0.000) 5.072 18.220 ( -3.357 2.345 0.000) 4.095 18.285 ( -6.982 -3.293 0.000) 7.719 20.261 ( 36.072 8.471 0.000) 37.053 20.511 ( 31.921 -14.388 0.000) 35.013 21.809 ( -40.562 0.898 0.000) 40.572 21.850 ( -37.194 -2.608 0.000) 37.285 23.840 ( 14.573 18.252 0.000) 23.356 24.185 ( 13.934 -12.874 0.000) 18.971 24.410 ( -14.231 17.193 0.000) 22.319 24.740 ( -14.019 -12.426 0.000) 18.734 ======================= Grid point 27 (18/90) ======================= q-point: (-0.50 0.40 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( -28.152 1.188 0.000) 28.177 3.540 ( 28.152 1.188 0.000) 28.177 3.634 ( -31.359 -7.729 0.000) 32.298 3.634 ( 31.359 -7.729 0.000) 32.298 4.158 ( -17.162 23.470 0.000) 29.075 4.158 ( 17.162 23.470 0.000) 29.075 4.577 ( -9.579 -10.344 0.000) 14.098 4.577 ( 9.579 -10.344 0.000) 14.098 4.836 ( -11.765 9.381 0.000) 15.047 4.836 ( 11.765 9.381 0.000) 15.047 5.222 ( -17.372 -22.819 0.000) 28.679 5.222 ( 17.372 -22.819 0.000) 28.679 5.780 ( -3.114 8.914 0.000) 9.442 5.780 ( 3.114 8.914 0.000) 9.442 5.981 ( -4.382 -9.742 0.000) 10.682 5.981 ( 4.382 -9.742 0.000) 10.682 7.002 ( -2.904 2.719 0.000) 3.978 7.002 ( 2.904 2.719 0.000) 3.978 7.061 ( -1.217 -3.280 0.000) 3.499 7.061 ( 1.217 -3.280 0.000) 3.499 7.630 ( -2.614 17.788 0.000) 17.979 7.630 ( 2.614 17.788 0.000) 17.979 7.965 ( -1.541 -11.235 0.000) 11.340 7.965 ( 1.541 -11.235 0.000) 11.340 8.668 ( -27.962 11.740 0.000) 30.327 8.668 ( 27.962 11.740 0.000) 30.327 8.936 ( -17.727 -10.964 0.000) 20.843 8.936 ( 17.727 -10.964 0.000) 20.843 9.196 ( -3.039 21.941 0.000) 22.151 9.196 ( 3.039 21.941 0.000) 22.151 9.737 ( -3.161 -23.183 0.000) 23.398 9.737 ( 3.161 -23.183 0.000) 23.398 10.042 ( -1.161 4.821 0.000) 4.959 10.042 ( 1.161 4.821 0.000) 4.959 10.206 ( -8.848 -7.951 0.000) 11.896 10.206 ( 8.848 -7.951 0.000) 11.896 11.394 ( -9.613 9.520 0.000) 13.529 11.394 ( 9.613 9.520 0.000) 13.529 11.566 ( -2.137 -6.754 0.000) 7.083 11.566 ( 2.137 -6.754 0.000) 7.083 12.266 ( -6.092 3.470 0.000) 7.011 12.266 ( 6.092 3.470 0.000) 7.011 12.413 ( -3.031 -8.427 0.000) 8.955 12.413 ( 3.031 -8.427 0.000) 8.955 12.589 ( -2.217 13.290 0.000) 13.474 12.589 ( 2.217 13.290 0.000) 13.474 12.884 ( -1.083 -11.632 0.000) 11.682 12.884 ( 1.083 -11.632 0.000) 11.682 13.558 ( -3.376 10.635 0.000) 11.158 13.558 ( 3.376 10.635 0.000) 11.158 13.784 ( -3.309 -10.580 0.000) 11.086 13.784 ( 3.309 -10.580 0.000) 11.086 14.477 ( -6.856 14.608 0.000) 16.137 14.477 ( 6.856 14.608 0.000) 16.137 14.664 ( -4.981 -1.853 0.000) 5.315 14.664 ( 4.981 -1.853 0.000) 5.315 15.634 ( -1.395 1.747 0.000) 2.236 15.634 ( 1.395 1.747 0.000) 2.236 15.739 ( -0.518 -6.106 0.000) 6.128 15.739 ( 0.518 -6.106 0.000) 6.128 18.146 ( -5.796 0.043 0.000) 5.796 18.146 ( 5.796 0.043 0.000) 5.796 18.160 ( -4.178 -1.154 0.000) 4.334 18.160 ( 4.178 -1.154 0.000) 4.334 21.009 ( -40.232 4.743 0.000) 40.511 21.009 ( 40.232 4.743 0.000) 40.511 21.159 ( -34.375 -8.960 0.000) 35.524 21.159 ( 34.375 -8.960 0.000) 35.524 24.127 ( -14.747 17.621 0.000) 22.978 24.127 ( 14.747 17.621 0.000) 22.978 24.462 ( -14.374 -12.554 0.000) 19.084 24.462 ( 14.374 -12.554 0.000) 19.084 ======================= Grid point 55 (19/90) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 0.000 45.844) 45.844 0.947 ( 0.000 0.000 44.902) 44.902 1.796 ( 0.000 0.000 86.990) 86.990 3.672 ( 0.000 0.000 -3.425) 3.425 3.676 ( 0.000 0.000 1.875) 1.875 3.795 ( 0.000 0.000 -3.941) 3.941 4.486 ( 0.000 0.000 0.806) 0.806 4.662 ( 0.000 0.000 -7.691) 7.691 4.815 ( 0.000 0.000 13.360) 13.360 4.865 ( 0.000 0.000 3.655) 3.655 5.068 ( 0.000 0.000 19.751) 19.751 5.611 ( 0.000 0.000 11.728) 11.728 5.814 ( 0.000 0.000 19.212) 19.212 5.839 ( 0.000 0.000 -7.932) 7.932 6.251 ( 0.000 0.000 -0.634) 0.634 6.400 ( 0.000 0.000 15.783) 15.783 6.562 ( 0.000 0.000 1.356) 1.356 6.579 ( 0.000 0.000 9.204) 9.204 6.960 ( 0.000 0.000 0.872) 0.872 7.214 ( 0.000 0.000 18.596) 18.596 7.299 ( 0.000 0.000 11.191) 11.191 7.833 ( 0.000 0.000 -35.551) 35.551 8.110 ( 0.000 0.000 -17.774) 17.774 8.536 ( 0.000 0.000 -5.556) 5.556 8.592 ( 0.000 0.000 -5.686) 5.686 8.640 ( 0.000 0.000 3.977) 3.977 9.110 ( 0.000 0.000 1.890) 1.890 9.408 ( 0.000 0.000 -3.091) 3.091 9.422 ( 0.000 0.000 -3.512) 3.512 9.474 ( 0.000 0.000 -9.405) 9.405 9.561 ( 0.000 0.000 -1.376) 1.376 9.728 ( 0.000 0.000 3.077) 3.077 10.045 ( 0.000 0.000 -10.842) 10.842 10.184 ( 0.000 0.000 -11.310) 11.310 10.534 ( 0.000 0.000 4.226) 4.226 10.612 ( 0.000 0.000 -1.853) 1.853 10.924 ( 0.000 0.000 4.619) 4.619 11.012 ( 0.000 0.000 0.264) 0.264 11.311 ( 0.000 0.000 -0.789) 0.789 11.366 ( 0.000 0.000 -7.268) 7.268 11.460 ( 0.000 0.000 18.217) 18.217 11.961 ( 0.000 0.000 -2.538) 2.538 12.100 ( 0.000 0.000 -1.830) 1.830 12.550 ( 0.000 0.000 3.093) 3.093 12.832 ( 0.000 0.000 -0.705) 0.705 13.320 ( 0.000 0.000 0.729) 0.729 13.405 ( 0.000 0.000 -5.614) 5.614 13.504 ( 0.000 0.000 -0.350) 0.350 14.030 ( 0.000 0.000 -3.349) 3.349 14.099 ( 0.000 0.000 2.441) 2.441 14.154 ( 0.000 0.000 3.018) 3.018 14.322 ( 0.000 0.000 -11.068) 11.068 14.327 ( 0.000 0.000 -9.251) 9.251 14.697 ( 0.000 0.000 -13.272) 13.272 15.048 ( 0.000 0.000 9.800) 9.800 15.375 ( 0.000 0.000 2.581) 2.581 15.651 ( 0.000 0.000 11.708) 11.708 15.953 ( 0.000 0.000 10.866) 10.866 16.072 ( 0.000 0.000 -5.928) 5.928 16.239 ( 0.000 0.000 -26.750) 26.750 16.294 ( 0.000 0.000 3.070) 3.070 16.874 ( 0.000 0.000 -0.824) 0.824 18.307 ( 0.000 0.000 2.956) 2.956 18.322 ( 0.000 0.000 -39.398) 39.398 19.041 ( 0.000 0.000 14.927) 14.927 20.168 ( 0.000 0.000 36.828) 36.828 22.405 ( 0.000 0.000 2.047) 2.047 23.724 ( 0.000 0.000 -12.238) 12.238 24.188 ( 0.000 0.000 -0.035) 0.035 24.531 ( 0.000 0.000 -0.665) 0.665 24.558 ( 0.000 0.000 -1.119) 1.119 25.208 ( 0.000 0.000 -12.406) 12.406 ======================= Grid point 56 (20/90) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 26.620 0.000 26.809) 37.780 1.272 ( 28.501 0.000 30.876) 42.019 2.556 ( 59.581 0.000 63.666) 87.197 3.678 ( 3.466 0.000 -0.278) 3.477 3.754 ( 8.156 0.000 -2.949) 8.673 3.875 ( 7.232 0.000 -5.859) 9.308 4.468 ( 0.469 0.000 -1.839) 1.897 4.642 ( -2.702 0.000 -7.130) 7.625 4.820 ( 1.579 0.000 12.565) 12.664 4.860 ( -1.476 0.000 3.683) 3.968 5.085 ( 4.610 0.000 19.168) 19.715 5.502 ( -7.994 0.000 13.495) 15.685 5.714 ( -6.230 0.000 19.019) 20.013 6.208 ( 17.039 0.000 -6.058) 18.084 6.314 ( 0.887 0.000 1.269) 1.548 6.450 ( 4.919 0.000 11.404) 12.420 6.549 ( -0.044 0.000 -2.168) 2.169 6.850 ( 20.260 0.000 -1.104) 20.290 6.967 ( 0.649 0.000 1.145) 1.316 7.209 ( 0.551 0.000 17.083) 17.092 7.257 ( -5.087 0.000 11.787) 12.838 7.658 ( -16.030 0.000 -29.544) 33.612 8.139 ( 2.908 0.000 -17.880) 18.115 8.247 ( -24.925 0.000 -3.567) 25.179 8.548 ( -8.850 0.000 7.778) 11.782 8.594 ( 0.153 0.000 -7.700) 7.702 8.947 ( -2.253 0.000 8.058) 8.368 9.056 ( -17.092 0.000 -5.738) 18.029 9.322 ( -0.791 0.000 1.300) 1.521 9.652 ( -4.461 0.000 -10.629) 11.527 9.716 ( 9.702 0.000 -0.045) 9.702 9.853 ( -12.164 0.000 1.990) 12.326 9.985 ( -0.841 0.000 1.954) 2.127 10.247 ( 19.635 0.000 -11.906) 22.963 10.533 ( -9.882 0.000 -10.395) 14.343 10.646 ( 5.906 0.000 -11.830) 13.223 11.006 ( -1.513 0.000 4.428) 4.679 11.033 ( 18.740 0.000 4.067) 19.176 11.350 ( 5.201 0.000 15.265) 16.127 11.425 ( 6.404 0.000 -12.653) 14.181 11.883 ( 2.548 0.000 -1.943) 3.204 11.928 ( 21.318 0.000 -3.629) 21.624 12.111 ( -1.442 0.000 -4.523) 4.747 12.477 ( -6.017 0.000 2.267) 6.429 12.779 ( -4.672 0.000 -0.552) 4.705 13.276 ( -2.627 0.000 -3.342) 4.251 13.405 ( -32.006 0.000 13.507) 34.740 13.474 ( 1.838 0.000 -6.068) 6.341 13.489 ( 1.291 0.000 -0.212) 1.308 14.024 ( -10.340 0.000 -1.404) 10.435 14.236 ( -6.085 0.000 -8.054) 10.094 14.394 ( 3.792 0.000 -1.496) 4.076 14.414 ( 2.518 0.000 4.047) 4.766 14.612 ( -5.561 0.000 -10.716) 12.073 14.977 ( -6.137 0.000 8.254) 10.286 15.017 ( -31.989 0.000 23.131) 39.475 15.405 ( 2.852 0.000 1.183) 3.088 15.629 ( -1.848 0.000 9.118) 9.304 16.116 ( -9.456 0.000 -14.841) 17.598 16.199 ( -1.754 0.000 -2.355) 2.936 17.061 ( 15.619 0.000 -12.443) 19.970 17.066 ( 30.297 0.000 -24.024) 38.666 18.298 ( -1.063 0.000 0.879) 1.379 18.334 ( 0.622 0.000 -37.578) 37.583 19.096 ( 5.988 0.000 17.596) 18.587 20.279 ( 10.368 0.000 35.025) 36.527 22.479 ( 7.336 0.000 2.184) 7.654 23.676 ( -38.818 0.000 28.981) 48.443 23.782 ( -1.650 0.000 -3.740) 4.088 24.001 ( -18.491 0.000 0.764) 18.506 24.496 ( -4.006 0.000 -0.452) 4.031 25.408 ( 2.036 0.000 -18.729) 18.839 ======================= Grid point 57 (21/90) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 38.356 0.000 1.515) 38.386 1.903 ( 34.208 0.000 16.814) 38.117 3.715 ( 29.824 0.000 20.886) 36.410 3.831 ( 33.325 0.000 15.969) 36.953 3.962 ( 11.692 0.000 -2.185) 11.895 4.034 ( 8.205 0.000 -5.733) 10.009 4.521 ( -9.750 0.000 -2.727) 10.124 4.534 ( 7.687 0.000 -4.370) 8.843 4.773 ( -7.670 0.000 4.167) 8.729 4.930 ( 11.033 0.000 12.157) 16.417 5.232 ( 9.474 0.000 17.153) 19.595 5.388 ( -1.476 0.000 14.831) 14.904 5.654 ( -1.269 0.000 17.237) 17.284 6.186 ( -10.060 0.000 1.756) 10.212 6.423 ( 7.570 0.000 4.490) 8.801 6.527 ( -9.036 0.000 -12.590) 15.498 6.562 ( 5.286 0.000 7.927) 9.528 6.985 ( 1.043 0.000 2.180) 2.416 7.066 ( -14.038 0.000 9.098) 16.729 7.088 ( 4.527 0.000 7.304) 8.593 7.257 ( -21.541 0.000 -0.370) 21.544 7.297 ( 7.374 0.000 16.039) 17.653 7.871 ( -8.474 0.000 -9.404) 12.659 8.238 ( 6.990 0.000 -20.405) 21.569 8.352 ( -9.288 0.000 10.562) 14.065 8.562 ( -2.911 0.000 -6.768) 7.368 8.742 ( -17.322 0.000 -12.654) 21.451 9.133 ( 17.212 0.000 5.011) 17.927 9.336 ( -23.413 0.000 -2.428) 23.539 9.366 ( 6.625 0.000 -7.391) 9.926 9.598 ( -10.779 0.000 -0.968) 10.823 9.879 ( 8.216 0.000 7.675) 11.243 10.014 ( 3.301 0.000 0.641) 3.362 10.351 ( -3.705 0.000 -9.380) 10.085 10.688 ( 15.346 0.000 -10.768) 18.747 10.713 ( 0.862 0.000 -8.379) 8.423 10.942 ( -4.890 0.000 7.130) 8.646 11.411 ( -9.735 0.000 -9.874) 13.865 11.449 ( 11.390 0.000 4.497) 12.246 11.512 ( 19.557 0.000 4.847) 20.149 11.834 ( 2.473 0.000 3.048) 3.925 11.966 ( -9.139 0.000 -7.233) 11.655 12.362 ( -7.649 0.000 0.679) 7.679 12.456 ( 23.797 0.000 -8.671) 25.328 12.713 ( -0.641 0.000 -0.393) 0.752 12.919 ( -19.699 0.000 5.812) 20.539 13.210 ( -4.534 0.000 -2.734) 5.294 13.446 ( -2.129 0.000 -11.157) 11.358 13.562 ( 3.032 0.000 -2.120) 3.699 13.814 ( -9.124 0.000 0.413) 9.134 14.014 ( -18.576 0.000 -2.062) 18.690 14.155 ( -18.485 0.000 2.878) 18.708 14.392 ( -4.742 0.000 3.825) 6.092 14.625 ( -3.987 0.000 3.403) 5.242 14.652 ( -4.384 0.000 4.687) 6.418 14.866 ( -4.502 0.000 8.354) 9.490 15.481 ( 4.948 0.000 -1.167) 5.084 15.596 ( -1.106 0.000 3.987) 4.138 15.949 ( -6.859 0.000 -4.064) 7.972 16.137 ( -4.565 0.000 -0.604) 4.605 17.384 ( 16.092 0.000 -23.026) 28.092 17.436 ( 12.001 0.000 -18.480) 22.035 18.261 ( -2.807 0.000 -4.143) 5.004 18.320 ( -2.460 0.000 -32.859) 32.951 19.299 ( 15.429 0.000 22.562) 27.333 20.546 ( 16.611 0.000 31.826) 35.900 22.676 ( 12.457 0.000 2.465) 12.698 23.039 ( -25.579 0.000 28.401) 38.221 23.499 ( -32.262 0.000 3.009) 32.402 23.897 ( 8.365 0.000 -11.763) 14.434 24.370 ( -8.830 0.000 0.099) 8.830 25.331 ( -8.077 0.000 -14.669) 16.746 ======================= Grid point 58 (22/90) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 31.456 0.000 -6.492) 32.119 2.566 ( 33.367 0.000 10.104) 34.863 3.788 ( -2.427 0.000 -4.737) 5.322 4.042 ( -7.791 0.000 -2.136) 8.079 4.174 ( 6.966 0.000 -6.870) 9.784 4.390 ( -3.364 0.000 9.063) 9.667 4.405 ( 5.726 0.000 18.942) 19.789 4.590 ( -5.857 0.000 -0.005) 5.857 4.969 ( 27.682 0.000 1.961) 27.752 5.254 ( 18.069 0.000 13.266) 22.416 5.424 ( 11.222 0.000 15.872) 19.439 5.527 ( -12.403 0.000 10.010) 15.939 5.581 ( 25.310 0.000 15.630) 29.747 5.977 ( -42.073 0.000 -6.556) 42.580 6.128 ( 5.209 0.000 4.092) 6.624 6.545 ( 5.071 0.000 0.992) 5.167 6.667 ( 7.671 0.000 11.609) 13.914 6.765 ( -14.119 0.000 5.583) 15.182 7.016 ( 1.471 0.000 1.605) 2.178 7.087 ( 1.567 0.000 9.820) 9.944 7.151 ( 3.118 0.000 7.653) 8.263 7.415 ( 5.423 0.000 19.117) 19.871 7.851 ( 3.547 0.000 -9.550) 10.187 8.222 ( -4.721 0.000 6.774) 8.257 8.287 ( -5.298 0.000 -12.925) 13.969 8.373 ( -18.717 0.000 -12.781) 22.665 8.604 ( 10.541 0.000 -4.635) 11.515 8.848 ( -25.212 0.000 2.356) 25.322 9.395 ( 7.784 0.000 -13.371) 15.472 9.494 ( -0.117 0.000 -0.213) 0.243 9.635 ( 17.066 0.000 -5.550) 17.945 10.027 ( -3.028 0.000 1.570) 3.411 10.072 ( 11.598 0.000 3.028) 11.987 10.344 ( 2.930 0.000 -6.786) 7.392 10.624 ( -12.852 0.000 2.291) 13.054 10.810 ( -1.992 0.000 -9.637) 9.841 10.829 ( -5.920 0.000 9.497) 11.191 11.083 ( -16.224 0.000 -1.364) 16.281 11.625 ( 11.315 0.000 -4.519) 12.184 11.884 ( 14.097 0.000 0.536) 14.107 11.937 ( 4.994 0.000 -9.860) 11.053 12.054 ( 17.935 0.000 3.431) 18.260 12.158 ( -11.442 0.000 2.446) 11.701 12.553 ( -18.732 0.000 -3.622) 19.079 12.743 ( 2.714 0.000 1.787) 3.249 12.761 ( 5.434 0.000 -10.147) 11.511 13.097 ( -7.030 0.000 -2.553) 7.479 13.385 ( -3.804 0.000 -10.913) 11.557 13.550 ( -25.266 0.000 3.862) 25.560 13.594 ( 2.899 0.000 -0.619) 2.964 13.777 ( 5.262 0.000 2.010) 5.632 13.831 ( -16.855 0.000 1.532) 16.925 14.241 ( -9.142 0.000 1.360) 9.242 14.487 ( -4.324 0.000 1.080) 4.456 14.661 ( -0.869 0.000 5.122) 5.196 14.770 ( -6.702 0.000 11.724) 13.504 15.591 ( 6.026 0.000 -2.156) 6.400 15.598 ( 1.433 0.000 0.347) 1.475 15.859 ( -2.510 0.000 0.091) 2.511 16.025 ( -6.679 0.000 0.345) 6.688 17.623 ( 8.227 0.000 -16.378) 18.329 17.658 ( 11.753 0.000 -25.790) 28.342 18.190 ( -4.373 0.000 -9.611) 10.559 18.236 ( -6.013 0.000 -27.626) 28.273 19.710 ( 26.786 0.000 23.707) 35.770 20.909 ( 20.126 0.000 27.411) 34.007 22.587 ( -21.998 0.000 21.310) 30.628 22.777 ( -40.737 0.000 6.310) 41.222 22.949 ( 15.136 0.000 2.686) 15.372 24.092 ( 11.436 0.000 -11.929) 16.526 24.158 ( -12.639 0.000 0.836) 12.666 25.130 ( -11.997 0.000 -12.889) 17.608 ======================= Grid point 59 (23/90) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 23.455 0.000 -8.314) 24.884 3.191 ( 29.804 0.000 6.028) 30.407 3.667 ( -9.813 0.000 -5.654) 11.326 3.887 ( -2.426 0.000 3.918) 4.609 4.099 ( -19.231 0.000 8.111) 20.872 4.292 ( 4.865 0.000 0.657) 4.909 4.414 ( -2.012 0.000 13.645) 13.792 4.684 ( 2.110 0.000 -1.840) 2.800 5.149 ( -34.155 0.000 7.786) 35.031 5.272 ( -12.637 0.000 7.921) 14.914 5.377 ( 16.486 0.000 0.319) 16.490 5.492 ( 7.766 0.000 8.393) 11.434 5.632 ( 10.625 0.000 13.452) 17.141 6.008 ( 5.539 0.000 10.694) 12.043 6.284 ( 8.638 0.000 3.433) 9.295 6.560 ( -7.297 0.000 3.730) 8.195 6.690 ( 10.059 0.000 4.908) 11.193 6.865 ( 7.537 0.000 14.721) 16.538 7.047 ( 2.108 0.000 0.916) 2.299 7.139 ( 1.248 0.000 3.358) 3.583 7.266 ( 10.944 0.000 1.838) 11.098 7.570 ( 9.065 0.000 13.125) 15.951 7.941 ( 3.961 0.000 -5.534) 6.805 8.075 ( -5.505 0.000 -7.859) 9.596 8.171 ( -4.418 0.000 1.905) 4.811 8.190 ( 4.285 0.000 -3.293) 5.405 8.397 ( -19.957 0.000 3.226) 20.216 8.878 ( 14.146 0.000 -3.838) 14.657 9.448 ( -3.073 0.000 -12.915) 13.276 9.563 ( 6.450 0.000 1.589) 6.643 9.645 ( -24.737 0.000 -10.874) 27.022 9.905 ( -8.639 0.000 3.508) 9.324 10.222 ( 3.486 0.000 2.380) 4.221 10.388 ( -1.787 0.000 1.742) 2.496 10.438 ( 5.913 0.000 -5.899) 8.352 10.701 ( -7.274 0.000 -7.613) 10.530 10.829 ( 7.454 0.000 8.926) 11.629 10.976 ( 3.387 0.000 -3.567) 4.919 11.860 ( -10.753 0.000 7.312) 13.003 11.883 ( 14.238 0.000 -9.475) 17.103 12.100 ( -10.741 0.000 -6.080) 12.342 12.120 ( 9.510 0.000 -7.380) 12.037 12.274 ( 5.187 0.000 -1.275) 5.342 12.338 ( 8.699 0.000 -0.703) 8.727 12.687 ( -10.176 0.000 -2.042) 10.378 12.799 ( 0.210 0.000 4.823) 4.828 13.002 ( 0.129 0.000 -3.580) 3.583 13.115 ( -15.494 0.000 2.327) 15.668 13.278 ( -7.455 0.000 -6.920) 10.172 13.481 ( -18.442 0.000 2.815) 18.655 13.729 ( 8.436 0.000 -2.276) 8.738 13.930 ( 6.077 0.000 3.416) 6.972 14.105 ( -0.662 0.000 0.937) 1.147 14.464 ( 1.617 0.000 0.407) 1.667 14.584 ( -12.228 0.000 11.723) 16.940 14.613 ( -3.803 0.000 3.849) 5.411 15.653 ( 4.132 0.000 -0.504) 4.162 15.705 ( 5.315 0.000 -1.637) 5.561 15.830 ( -1.243 0.000 0.779) 1.466 15.887 ( -7.200 0.000 0.440) 7.213 17.778 ( 7.939 0.000 -17.520) 19.234 17.846 ( 7.943 0.000 -23.242) 24.562 18.094 ( -5.380 0.000 -14.529) 15.493 18.097 ( -7.939 0.000 -23.350) 24.663 20.330 ( 36.236 0.000 20.191) 41.482 21.316 ( 21.429 0.000 23.386) 31.719 21.944 ( -43.828 0.000 10.426) 45.051 22.162 ( -21.745 0.000 19.448) 29.174 23.258 ( 16.300 0.000 2.624) 16.509 23.886 ( -15.116 0.000 1.614) 15.202 24.335 ( 13.321 0.000 -11.920) 17.875 24.877 ( -13.716 0.000 -12.159) 18.330 ======================= Grid point 60 (24/90) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -16.805 0.000 -7.209) 18.285 3.407 ( 16.805 0.000 -7.209) 18.285 3.660 ( -19.175 0.000 3.336) 19.463 3.660 ( 19.175 0.000 3.336) 19.463 4.230 ( -30.046 0.000 7.588) 30.990 4.230 ( 30.046 0.000 7.588) 30.990 4.365 ( -2.915 0.000 8.305) 8.802 4.365 ( 2.915 0.000 8.305) 8.802 5.057 ( -9.460 0.000 7.486) 12.063 5.057 ( 9.460 0.000 7.486) 12.063 5.555 ( -1.838 0.000 4.961) 5.290 5.555 ( 1.838 0.000 4.961) 5.290 5.884 ( -13.375 0.000 8.032) 15.601 5.884 ( 13.375 0.000 8.032) 15.601 6.434 ( -6.670 0.000 2.454) 7.107 6.434 ( 6.670 0.000 2.454) 7.107 6.856 ( -5.955 0.000 12.963) 14.265 6.856 ( 5.955 0.000 12.963) 14.265 7.107 ( -3.551 0.000 0.085) 3.552 7.107 ( 3.551 0.000 0.085) 3.552 7.515 ( -11.880 0.000 -0.213) 11.882 7.515 ( 11.880 0.000 -0.213) 11.882 8.032 ( -7.949 0.000 -1.590) 8.107 8.032 ( 7.949 0.000 -1.590) 8.107 8.133 ( -6.688 0.000 -0.616) 6.716 8.133 ( 6.688 0.000 -0.616) 6.716 8.716 ( -38.138 0.000 2.831) 38.243 8.716 ( 38.138 0.000 2.831) 38.243 9.317 ( -7.919 0.000 -8.391) 11.538 9.317 ( 7.919 0.000 -8.391) 11.538 9.723 ( -9.371 0.000 3.466) 9.992 9.723 ( 9.371 0.000 3.466) 9.992 10.322 ( -5.664 0.000 -1.711) 5.917 10.322 ( 5.664 0.000 -1.711) 5.917 10.562 ( -6.788 0.000 -6.391) 9.323 10.562 ( 6.788 0.000 -6.391) 9.323 11.012 ( -5.810 0.000 -2.654) 6.387 11.012 ( 5.810 0.000 -2.654) 6.387 11.809 ( -9.212 0.000 5.645) 10.804 11.809 ( 9.212 0.000 5.645) 10.804 12.134 ( -9.246 0.000 -13.487) 16.352 12.134 ( 9.246 0.000 -13.487) 16.352 12.479 ( -9.414 0.000 0.640) 9.435 12.479 ( 9.414 0.000 0.640) 9.435 12.569 ( -17.870 0.000 3.735) 18.257 12.569 ( 17.870 0.000 3.735) 18.257 13.110 ( -8.854 0.000 -2.500) 9.200 13.110 ( 8.854 0.000 -2.500) 9.200 13.154 ( -13.561 0.000 1.530) 13.647 13.154 ( 13.561 0.000 1.530) 13.647 13.875 ( -6.562 0.000 -2.803) 7.136 13.875 ( 6.562 0.000 -2.803) 7.136 14.311 ( -14.959 0.000 9.073) 17.495 14.311 ( 14.959 0.000 9.073) 17.495 14.528 ( -4.370 0.000 1.715) 4.694 14.528 ( 4.370 0.000 1.715) 4.694 15.755 ( -6.180 0.000 -0.034) 6.180 15.755 ( 6.180 0.000 -0.034) 6.180 15.789 ( -3.196 0.000 -0.252) 3.206 15.789 ( 3.196 0.000 -0.252) 3.206 17.937 ( -8.296 0.000 -20.042) 21.692 17.937 ( 8.296 0.000 -20.042) 21.692 17.981 ( -6.197 0.000 -19.054) 20.036 17.981 ( 6.197 0.000 -19.054) 20.036 21.100 ( -42.066 0.000 15.180) 44.721 21.100 ( 42.066 0.000 15.180) 44.721 21.738 ( -21.742 0.000 20.547) 29.915 21.738 ( 21.742 0.000 20.547) 29.915 23.577 ( -16.288 0.000 2.257) 16.443 23.577 ( 16.288 0.000 2.257) 16.443 24.604 ( -14.075 0.000 -11.930) 18.451 24.604 ( 14.075 0.000 -11.930) 18.451 ======================= Grid point 66 (25/90) ======================= q-point: ( 0.00 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 27.302 31.899) 41.988 1.389 ( 0.000 33.673 28.881) 44.362 2.538 ( 0.000 57.301 57.949) 81.495 3.189 ( 0.000 -25.772 -4.662) 26.191 3.492 ( 0.000 -16.548 3.358) 16.885 4.187 ( 0.000 17.314 -0.204) 17.315 4.473 ( 0.000 1.503 2.622) 3.023 4.652 ( 0.000 -1.330 -0.794) 1.549 4.813 ( 0.000 -4.707 3.925) 6.129 4.942 ( 0.000 10.131 -4.956) 11.279 5.120 ( 0.000 5.627 19.876) 20.657 5.665 ( 0.000 9.090 14.746) 17.322 5.728 ( 0.000 -10.045 -6.179) 11.793 6.013 ( 0.000 13.558 18.559) 22.983 6.060 ( 0.000 -15.677 7.104) 17.211 6.346 ( 0.000 -5.539 5.312) 7.674 6.565 ( 0.000 -4.265 11.050) 11.845 6.960 ( 0.000 12.618 -2.310) 12.827 7.072 ( 0.000 10.090 2.446) 10.383 7.207 ( 0.000 -51.215 -8.168) 51.863 7.211 ( 0.000 1.215 17.757) 17.798 7.339 ( 0.000 -1.972 8.803) 9.021 7.555 ( 0.000 -18.268 -16.858) 24.858 8.150 ( 0.000 -20.281 5.749) 21.080 8.585 ( 0.000 2.550 -5.785) 6.322 9.108 ( 0.000 -19.273 4.552) 19.804 9.112 ( 0.000 -1.433 4.636) 4.853 9.365 ( 0.000 26.736 -18.876) 32.728 9.507 ( 0.000 16.232 -13.017) 20.807 9.513 ( 0.000 -7.612 -2.814) 8.115 9.656 ( 0.000 6.021 1.636) 6.239 9.901 ( 0.000 30.216 -2.287) 30.303 10.112 ( 0.000 -5.493 -13.618) 14.685 10.179 ( 0.000 10.590 -11.080) 15.327 10.467 ( 0.000 -1.773 -6.977) 7.198 10.789 ( 0.000 1.750 -10.467) 10.612 10.816 ( 0.000 -11.157 13.287) 17.350 11.118 ( 0.000 -0.737 3.518) 3.595 11.246 ( 0.000 3.153 -3.891) 5.009 11.417 ( 0.000 6.192 -8.695) 10.674 11.671 ( 0.000 12.068 6.112) 13.527 12.024 ( 0.000 2.420 -8.119) 8.472 12.168 ( 0.000 6.313 -2.285) 6.714 12.602 ( 0.000 3.597 7.025) 7.893 12.752 ( 0.000 -5.892 -1.260) 6.026 13.070 ( 0.000 -14.920 -5.574) 15.927 13.274 ( 0.000 -3.905 1.854) 4.323 13.495 ( 0.000 -0.300 5.018) 5.027 13.975 ( 0.000 -9.484 3.361) 10.062 14.012 ( 0.000 -14.821 -5.930) 15.963 14.110 ( 0.000 -2.285 -1.760) 2.885 14.283 ( 0.000 -3.694 -9.142) 9.860 14.433 ( 0.000 3.564 2.359) 4.274 14.642 ( 0.000 -4.068 -15.984) 16.494 15.022 ( 0.000 3.112 1.429) 3.424 15.148 ( 0.000 6.265 10.299) 12.055 15.674 ( 0.000 5.341 8.168) 9.759 15.995 ( 0.000 4.169 10.026) 10.858 16.197 ( 0.000 -2.803 -2.904) 4.037 16.498 ( 0.000 19.717 -26.995) 33.429 16.683 ( 0.000 -8.408 -2.573) 8.793 17.197 ( 0.000 30.577 -25.218) 39.635 18.220 ( 0.000 -8.039 -39.731) 40.536 18.329 ( 0.000 1.092 -1.402) 1.777 19.052 ( 0.000 1.781 20.406) 20.483 19.941 ( 0.000 -18.473 37.647) 41.935 22.576 ( 0.000 16.220 -1.908) 16.332 23.636 ( 0.000 -7.958 -11.830) 14.258 24.178 ( 0.000 -0.887 0.901) 1.264 24.187 ( 0.000 -5.245 12.353) 13.421 25.148 ( 0.000 14.908 -17.952) 23.335 25.229 ( 0.000 1.758 -11.399) 11.534 ======================= Grid point 67 (26/90) ======================= q-point: ( 0.10 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 15.752 27.928 20.508) 38.061 1.615 ( 24.114 24.721 26.259) 43.384 3.082 ( 46.127 42.615 45.648) 77.637 3.316 ( 12.626 -23.274 -5.088) 26.962 3.434 ( -2.354 -18.455 6.064) 19.568 4.213 ( 2.951 16.251 -0.159) 16.518 4.426 ( 0.176 1.152 0.320) 1.209 4.641 ( -0.611 -1.216 0.758) 1.558 4.793 ( -1.808 -1.571 2.512) 3.471 4.979 ( 3.118 8.797 -0.652) 9.356 5.156 ( 5.080 6.924 16.471) 18.575 5.570 ( -7.940 6.555 12.634) 16.298 5.786 ( -6.424 1.707 16.458) 17.750 6.049 ( 8.386 -12.470 3.569) 15.445 6.180 ( 9.167 -5.135 3.481) 11.069 6.481 ( 9.283 -0.785 3.187) 9.846 6.741 ( 13.878 -0.564 6.174) 15.200 6.961 ( 0.286 9.062 -6.019) 10.883 7.079 ( 0.880 10.204 1.010) 10.292 7.145 ( -0.932 -8.917 10.359) 13.700 7.236 ( -11.852 -25.483 -5.852) 28.707 7.382 ( -5.872 -11.511 -1.314) 12.989 7.409 ( 8.551 -18.778 6.828) 21.734 8.087 ( -5.431 -17.432 3.280) 18.550 8.353 ( -19.748 -1.353 -9.383) 21.906 8.785 ( -17.383 2.900 7.996) 19.352 9.019 ( -13.861 -5.246 11.528) 18.776 9.142 ( -7.791 -1.595 -9.173) 12.141 9.567 ( -6.776 9.889 -13.804) 18.283 9.755 ( 1.069 8.026 5.516) 9.797 9.818 ( 18.234 -1.136 -10.199) 20.923 9.894 ( -1.592 20.327 -4.305) 20.839 9.951 ( -11.156 7.990 -0.432) 13.729 10.166 ( 7.817 -1.548 -11.642) 14.108 10.465 ( -5.823 -1.807 -12.424) 13.839 10.724 ( 1.624 -4.623 2.230) 5.384 10.871 ( 6.939 4.292 -8.530) 11.804 11.129 ( 3.868 -6.652 -2.621) 8.129 11.357 ( 9.516 5.653 5.326) 12.283 11.616 ( 7.164 11.740 -0.858) 13.780 11.850 ( 11.555 -2.874 -6.160) 13.406 11.971 ( 0.746 3.926 -6.722) 7.820 12.188 ( 1.332 5.323 -2.096) 5.873 12.516 ( -7.387 2.015 3.372) 8.367 12.730 ( -1.645 -3.246 -0.934) 3.757 13.092 ( 1.089 -8.487 -4.336) 9.593 13.333 ( 4.070 -2.752 3.333) 5.937 13.453 ( -4.631 -1.891 3.246) 5.963 13.618 ( -17.263 -0.497 -1.936) 17.378 13.958 ( -7.776 -2.874 -5.822) 10.130 14.202 ( -2.033 -10.576 -3.901) 11.455 14.301 ( -2.993 -8.698 3.514) 9.847 14.402 ( -0.549 2.492 0.413) 2.585 14.612 ( -2.128 -1.841 -11.431) 11.772 14.958 ( -6.704 5.505 2.660) 9.074 15.075 ( -6.548 5.962 7.405) 11.544 15.637 ( -3.570 4.680 5.753) 8.231 15.735 ( -15.469 15.290 9.125) 23.587 16.168 ( -3.549 -2.170 -3.445) 5.401 16.279 ( -11.597 7.620 -7.805) 15.921 16.985 ( 18.841 -0.655 -17.663) 25.835 17.363 ( 11.647 15.733 -22.864) 30.099 18.228 ( 0.046 -6.886 -31.888) 32.623 18.322 ( -0.625 -0.172 -8.651) 8.675 19.120 ( 7.283 2.917 22.440) 23.772 20.041 ( 9.809 -18.880 36.462) 42.216 22.651 ( 7.231 15.695 -1.679) 17.362 23.673 ( 2.541 -7.427 -11.562) 13.974 23.867 ( -28.613 6.291 19.986) 35.464 23.999 ( -17.675 -0.424 1.853) 17.777 24.764 ( -15.814 18.473 -5.253) 24.878 25.379 ( -0.002 -2.807 -15.299) 15.554 ======================= Grid point 68 (27/90) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 29.204 14.126 10.043) 33.960 2.193 ( 32.430 19.794 12.408) 39.969 3.417 ( 2.906 -23.681 3.444) 24.106 3.662 ( 20.835 -19.154 -3.469) 28.514 4.025 ( 34.792 20.870 16.985) 43.983 4.331 ( 11.664 16.845 8.709) 22.263 4.491 ( 3.368 2.185 -5.763) 7.024 4.674 ( 8.559 8.651 2.919) 12.514 4.747 ( -1.916 0.463 7.494) 7.749 5.035 ( 3.118 5.589 5.494) 8.434 5.297 ( 7.670 6.183 13.232) 16.496 5.432 ( -3.001 4.862 12.178) 13.452 5.736 ( 2.178 5.320 18.553) 19.424 6.054 ( -7.973 -18.738 3.755) 20.707 6.221 ( -7.279 0.062 6.532) 9.780 6.586 ( -3.544 -2.123 -6.140) 7.400 6.728 ( -12.810 -0.790 -5.608) 14.006 6.955 ( 1.288 -12.879 2.200) 13.129 7.046 ( -0.638 3.673 0.195) 3.733 7.090 ( -1.018 7.724 5.586) 9.586 7.255 ( 5.241 3.539 9.564) 11.465 7.330 ( 1.714 6.264 11.843) 13.507 7.628 ( 9.376 -25.999 -7.156) 28.550 7.965 ( -6.421 -15.605 -3.509) 17.236 8.107 ( 0.634 -13.868 5.024) 14.764 8.545 ( -6.860 1.672 5.194) 8.765 8.711 ( -11.526 -8.565 12.021) 18.727 9.108 ( -0.753 -15.447 -5.215) 16.321 9.271 ( -17.251 16.665 -13.629) 27.587 9.503 ( -17.327 5.846 -2.801) 18.500 9.861 ( 2.551 5.382 3.661) 6.991 9.950 ( 2.648 12.862 -5.873) 14.386 10.146 ( 10.621 3.290 -5.442) 12.380 10.214 ( -1.072 -2.984 -11.000) 11.448 10.519 ( 7.398 -4.121 0.110) 8.469 10.774 ( 2.290 -5.752 -0.225) 6.195 10.931 ( -1.276 6.291 -7.199) 9.645 11.263 ( 3.930 -11.582 -5.573) 13.441 11.555 ( 10.221 4.905 2.250) 11.558 11.687 ( -0.603 11.278 -2.095) 11.487 11.775 ( -4.743 3.474 4.236) 7.247 12.086 ( 2.366 3.482 -10.749) 11.544 12.346 ( -2.705 -2.055 -4.925) 5.983 12.364 ( 7.811 -4.471 -7.086) 11.455 12.728 ( 1.659 1.673 0.758) 2.475 13.049 ( -6.708 6.376 3.087) 9.756 13.241 ( -7.699 0.196 -5.017) 9.191 13.394 ( -3.158 -3.611 -6.093) 7.755 13.528 ( 3.892 -0.255 1.373) 4.135 13.775 ( -8.938 -0.621 -0.795) 8.995 14.043 ( -18.575 -3.657 6.308) 19.955 14.099 ( -8.555 -3.169 -3.678) 9.837 14.384 ( -4.418 -0.850 0.428) 4.520 14.585 ( -0.715 -3.497 -1.486) 3.867 14.781 ( -10.047 6.919 1.938) 12.352 14.940 ( -6.528 6.649 6.838) 11.558 15.541 ( -2.285 6.129 1.848) 6.797 15.607 ( -1.718 4.163 4.258) 6.197 16.038 ( -7.856 3.672 -0.977) 8.727 16.128 ( -5.583 -1.167 -0.169) 5.707 17.329 ( 15.837 -0.538 -23.415) 28.273 17.561 ( 8.754 6.645 -19.951) 22.778 18.203 ( -2.506 -4.891 -19.309) 20.076 18.296 ( -2.483 -2.011 -20.079) 20.332 19.349 ( 16.524 4.906 25.439) 30.729 20.306 ( 16.991 -18.824 33.116) 41.710 22.825 ( 8.480 13.391 -0.316) 15.853 23.257 ( -26.701 12.955 21.034) 36.376 23.482 ( -30.954 -1.502 3.892) 31.234 23.834 ( 7.601 -5.582 -10.168) 13.868 24.529 ( -10.759 13.463 -2.552) 17.422 25.282 ( -8.524 -4.540 -13.082) 16.261 ======================= Grid point 69 (28/90) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 29.127 5.329 4.293) 29.920 2.807 ( 29.367 16.607 5.011) 34.107 3.483 ( 3.516 -19.143 3.134) 19.714 4.049 ( 12.455 -5.241 -0.805) 13.536 4.249 ( 2.187 5.912 -3.940) 7.433 4.414 ( -1.980 3.469 0.268) 4.003 4.539 ( 1.300 7.908 4.702) 9.292 4.578 ( -11.013 2.893 2.639) 11.689 5.054 ( 8.495 2.350 7.047) 11.285 5.281 ( 16.186 5.278 13.833) 21.936 5.437 ( 8.579 1.934 10.543) 13.730 5.504 ( 2.403 0.449 9.593) 9.899 5.659 ( -24.715 -14.198 2.157) 28.584 5.848 ( 4.014 12.590 14.250) 19.434 6.068 ( 5.890 -4.994 4.318) 8.848 6.421 ( -5.645 -10.550 2.396) 12.203 6.672 ( 2.658 -0.092 9.089) 9.470 6.917 ( -3.196 3.371 1.766) 4.970 7.042 ( 2.605 1.638 5.220) 6.059 7.107 ( 0.753 8.519 6.277) 10.608 7.292 ( 2.603 7.501 5.768) 9.814 7.411 ( 1.742 -0.351 8.652) 8.833 7.736 ( 2.136 -16.317 -6.907) 17.847 7.856 ( -0.016 -3.185 0.069) 3.186 8.236 ( 1.692 -1.813 9.975) 10.279 8.565 ( 11.870 -20.116 -2.238) 23.464 8.692 ( 6.117 -9.427 0.707) 11.260 8.875 ( -16.291 4.103 -3.221) 17.106 8.974 ( -14.713 17.008 -5.443) 23.138 9.465 ( 10.312 -10.827 -10.245) 18.125 9.881 ( -0.846 1.664 2.230) 2.908 9.996 ( 1.577 3.949 -8.310) 9.335 10.190 ( -0.072 -0.581 -3.315) 3.366 10.287 ( 2.051 3.393 -7.661) 8.626 10.590 ( -0.556 -5.413 6.399) 8.400 10.713 ( -16.474 -0.789 -3.910) 16.950 10.847 ( -0.482 1.015 3.629) 3.799 11.189 ( -7.768 7.139 -4.441) 11.447 11.602 ( 5.721 -11.657 2.442) 13.213 11.772 ( 3.499 1.349 -5.070) 6.306 11.842 ( 6.796 -0.943 -4.340) 8.119 12.170 ( -6.191 0.142 -3.518) 7.122 12.212 ( 7.380 8.602 -6.313) 12.974 12.529 ( 2.962 -4.277 -11.904) 12.992 12.772 ( 2.152 2.780 2.989) 4.614 12.877 ( -10.005 6.750 0.107) 12.069 13.120 ( -6.342 0.908 -1.571) 6.597 13.290 ( -7.705 -6.934 -4.945) 11.485 13.568 ( -4.721 1.769 -1.642) 5.303 13.690 ( -4.077 1.685 3.554) 5.665 13.706 ( -5.639 5.710 5.993) 10.016 13.921 ( -7.020 1.384 -1.575) 7.327 14.244 ( -8.635 1.023 -1.539) 8.830 14.544 ( -5.028 -0.436 -0.762) 5.104 14.636 ( -3.206 0.648 1.853) 3.760 14.815 ( -6.656 4.675 9.229) 12.302 15.562 ( 3.298 -0.665 -0.244) 3.373 15.603 ( 1.140 1.822 1.436) 2.585 15.918 ( -4.360 2.918 1.942) 5.594 16.013 ( -6.225 -2.221 1.018) 6.687 17.590 ( 11.020 -0.489 -22.083) 24.685 17.718 ( 7.498 3.019 -21.144) 22.636 18.138 ( -4.047 -3.848 -16.961) 17.857 18.218 ( -5.449 -1.987 -21.336) 22.110 19.771 ( 26.647 5.561 24.971) 36.940 20.687 ( 21.569 -17.457 28.526) 39.796 22.619 ( -25.982 3.144 17.378) 31.416 22.775 ( -39.144 -0.384 7.891) 39.933 23.168 ( 12.181 16.329 2.459) 20.520 24.025 ( 11.081 -5.559 -11.377) 16.826 24.307 ( -12.021 12.117 -1.213) 17.112 25.076 ( -12.114 -5.025 -11.870) 17.689 ======================= Grid point 70 (29/90) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 27.481 1.892 -0.420) 27.549 3.308 ( 21.206 11.241 3.358) 24.235 3.587 ( 9.235 -7.152 4.532) 12.529 3.938 ( -14.053 7.352 -1.517) 15.932 4.143 ( -21.689 5.581 7.005) 23.465 4.350 ( -0.615 3.147 1.499) 3.539 4.520 ( 1.013 4.784 3.884) 6.244 4.629 ( 4.030 -2.434 -0.350) 4.721 4.922 ( -24.846 -15.453 6.702) 30.017 5.209 ( -12.982 -3.482 8.507) 15.907 5.324 ( 14.973 -9.834 3.832) 18.318 5.589 ( 6.091 6.927 8.508) 12.548 5.651 ( 6.095 4.163 8.537) 11.286 5.995 ( -1.601 -2.648 12.313) 12.696 6.198 ( 1.868 -10.074 3.331) 10.774 6.319 ( -3.839 -11.105 3.585) 12.284 6.905 ( 8.584 4.983 8.921) 13.346 6.952 ( 8.627 10.784 6.056) 15.080 7.080 ( -0.835 2.619 2.596) 3.782 7.149 ( 5.698 5.299 5.200) 9.358 7.368 ( 4.834 -3.565 5.529) 8.164 7.395 ( 0.087 0.249 5.279) 5.285 7.888 ( 17.798 -4.172 1.923) 18.382 7.974 ( 10.508 1.974 0.596) 10.708 8.195 ( -3.868 -1.414 2.855) 5.011 8.516 ( -13.415 16.178 -4.067) 21.407 8.619 ( -7.308 18.963 -8.961) 22.211 8.905 ( 9.248 1.193 -2.126) 9.564 9.005 ( 14.406 -21.490 0.969) 25.890 9.587 ( -9.378 -8.221 -3.289) 12.898 9.827 ( -2.668 6.830 -3.161) 7.985 9.928 ( -9.714 6.200 -5.995) 12.990 10.153 ( -2.288 -16.498 -2.848) 16.898 10.270 ( -1.540 -3.833 -2.410) 4.783 10.347 ( -9.006 -7.833 -1.762) 12.065 10.514 ( -6.544 -3.160 1.135) 7.355 10.964 ( 10.495 6.800 3.670) 13.033 11.138 ( 2.332 10.292 -6.369) 12.326 11.673 ( -3.421 -12.512 -2.847) 13.280 11.797 ( -4.385 -16.300 -3.407) 17.220 11.954 ( 10.798 3.116 -6.699) 13.084 12.119 ( 1.415 3.273 -7.131) 7.973 12.326 ( 3.932 6.956 -2.347) 8.328 12.583 ( -1.387 1.949 -2.285) 3.308 12.659 ( -7.207 -0.172 0.975) 7.275 12.787 ( -2.991 -0.532 8.028) 8.583 13.021 ( -1.443 1.192 -0.231) 1.886 13.115 ( -6.830 -2.207 1.680) 7.372 13.366 ( -9.275 7.459 -4.884) 12.866 13.514 ( -13.268 5.744 2.443) 14.663 13.808 ( 8.941 4.694 -1.104) 10.158 13.963 ( 8.917 -2.329 4.017) 10.053 14.086 ( -6.878 4.827 -3.104) 8.958 14.413 ( -8.442 -3.070 0.585) 9.002 14.607 ( -0.652 2.049 0.250) 2.165 14.691 ( -5.294 4.616 6.722) 9.722 15.629 ( 3.045 -1.302 -0.185) 3.317 15.650 ( 3.307 -2.309 1.053) 4.168 15.858 ( -2.177 1.027 2.105) 3.198 15.896 ( -5.268 -1.099 1.167) 5.507 17.774 ( 8.399 0.026 -19.324) 21.070 17.853 ( 6.293 0.324 -21.953) 22.840 18.049 ( -5.057 -2.697 -19.258) 20.093 18.093 ( -6.967 -1.273 -18.963) 20.243 20.378 ( 35.248 4.481 21.084) 41.316 21.134 ( 24.079 -14.361 24.399) 37.166 21.944 ( -42.206 0.346 11.721) 43.804 22.127 ( -26.777 -2.953 19.396) 33.196 23.446 ( 15.200 14.893 0.568) 21.287 24.031 ( -13.590 11.886 -1.656) 18.130 24.285 ( 12.675 -4.564 -10.143) 16.863 24.822 ( -13.710 -5.111 -11.263) 18.465 ======================= Grid point 71 (30/90) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( -15.507 6.841 -4.493) 17.534 3.519 ( 15.507 6.841 -4.493) 17.534 3.700 ( -11.493 6.077 3.236) 13.397 3.700 ( 11.493 6.077 3.236) 13.397 4.034 ( -22.757 -9.748 11.136) 27.146 4.034 ( 22.757 -9.748 11.136) 27.146 4.529 ( -1.914 8.098 3.160) 8.901 4.529 ( 1.914 8.098 3.160) 8.901 4.962 ( -11.724 -6.869 6.922) 15.250 4.962 ( 11.724 -6.869 6.922) 15.250 5.617 ( -7.090 -0.135 2.690) 7.585 5.617 ( 7.090 -0.135 2.690) 7.585 5.778 ( -11.771 -6.684 9.626) 16.610 5.778 ( 11.771 -6.684 9.626) 16.610 6.262 ( -3.155 -10.811 4.675) 12.194 6.262 ( 3.155 -10.811 4.675) 12.194 6.994 ( -3.422 7.137 8.452) 11.579 6.994 ( 3.422 7.137 8.452) 11.579 7.127 ( -5.356 1.963 2.974) 6.433 7.127 ( 5.356 1.963 2.974) 6.433 7.441 ( -0.466 -0.076 5.048) 5.070 7.441 ( 0.466 -0.076 5.048) 5.070 8.079 ( -5.739 -2.665 -3.343) 7.156 8.079 ( 5.739 -2.665 -3.343) 7.156 8.329 ( -8.260 18.290 -2.878) 20.274 8.329 ( 8.260 18.290 -2.878) 20.274 8.788 ( -26.475 6.902 1.400) 27.395 8.788 ( 26.475 6.902 1.400) 27.395 9.222 ( -9.330 -6.558 -1.306) 11.479 9.222 ( 9.330 -6.558 -1.306) 11.479 9.822 ( -1.403 6.302 -0.410) 6.469 9.822 ( 1.403 6.302 -0.410) 6.469 10.193 ( -4.877 -16.132 -6.083) 17.917 10.193 ( 4.877 -16.132 -6.083) 17.917 10.372 ( -6.803 -7.906 -1.430) 10.527 10.372 ( 6.803 -7.906 -1.430) 10.527 11.156 ( -5.417 8.473 -4.043) 10.839 11.156 ( 5.417 8.473 -4.043) 10.839 11.642 ( -5.911 -10.861 -4.421) 13.132 11.642 ( 5.911 -10.861 -4.421) 13.132 12.163 ( -5.202 1.873 -6.506) 8.538 12.163 ( 5.202 1.873 -6.506) 8.538 12.389 ( -7.138 -2.030 2.124) 7.719 12.389 ( 7.138 -2.030 2.124) 7.719 12.690 ( -4.261 2.283 7.228) 8.696 12.690 ( 4.261 2.283 7.228) 8.696 13.064 ( -3.322 -2.553 -1.001) 4.307 13.064 ( 3.322 -2.553 -1.001) 4.307 13.298 ( -5.525 11.025 -0.489) 12.342 13.298 ( 5.525 11.025 -0.489) 12.342 13.953 ( -6.242 3.203 -2.870) 7.580 13.953 ( 6.242 3.203 -2.870) 7.580 14.201 ( -12.677 -2.935 4.075) 13.636 14.201 ( 12.677 -2.935 4.075) 13.636 14.620 ( -2.127 4.554 1.123) 5.151 14.620 ( 2.127 4.554 1.123) 5.151 15.679 ( -1.211 -2.957 1.157) 3.398 15.679 ( 1.211 -2.957 1.157) 3.398 15.834 ( -0.629 0.252 1.010) 1.216 15.834 ( 0.629 0.252 1.010) 1.216 17.929 ( -7.401 -0.552 -20.091) 21.418 17.929 ( 7.401 -0.552 -20.091) 21.418 17.967 ( -5.747 -1.215 -19.233) 20.110 17.967 ( 5.747 -1.215 -19.233) 20.110 21.125 ( -40.826 2.517 16.184) 43.989 21.125 ( 40.826 2.517 16.184) 43.989 21.619 ( -25.516 -9.450 21.385) 34.608 21.619 ( 25.516 -9.450 21.385) 34.608 23.745 ( -15.229 13.604 -0.169) 20.421 23.745 ( 15.229 13.604 -0.169) 20.421 24.550 ( -14.034 -5.081 -10.937) 18.504 24.550 ( 14.034 -5.081 -10.937) 18.504 ======================= Grid point 77 (31/90) ======================= q-point: ( 0.00 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.000 30.663 12.984) 33.299 2.190 ( 0.000 37.330 14.880) 40.187 2.605 ( 0.000 -27.955 0.683) 27.964 2.944 ( 0.000 -30.390 8.342) 31.514 3.936 ( 0.000 61.264 33.152) 69.659 4.474 ( 0.000 8.060 0.377) 8.069 4.617 ( 0.000 13.987 -1.355) 14.052 4.623 ( 0.000 -2.344 1.259) 2.660 4.663 ( 0.000 -9.242 7.456) 11.874 5.182 ( 0.000 13.738 -11.239) 17.750 5.335 ( 0.000 13.534 14.653) 19.947 5.365 ( 0.000 -29.582 6.936) 30.384 5.661 ( 0.000 -23.143 8.787) 24.755 5.739 ( 0.000 -42.271 -4.866) 42.550 5.967 ( 0.000 15.379 7.022) 16.907 6.241 ( 0.000 -9.907 1.904) 10.088 6.329 ( 0.000 15.605 21.051) 26.204 6.674 ( 0.000 -12.578 6.543) 14.178 7.035 ( 0.000 -2.043 10.550) 10.746 7.049 ( 0.000 -8.738 12.543) 15.286 7.275 ( 0.000 9.127 7.502) 11.815 7.371 ( 0.000 12.222 7.238) 14.205 7.420 ( 0.000 -3.764 6.081) 7.152 7.719 ( 0.000 -18.775 4.431) 19.290 8.662 ( 0.000 5.018 -9.918) 11.115 8.816 ( 0.000 -9.350 -8.207) 12.441 9.127 ( 0.000 3.860 5.386) 6.626 9.282 ( 0.000 -10.042 4.873) 11.162 9.724 ( 0.000 11.757 -12.886) 17.443 9.906 ( 0.000 9.232 0.002) 9.232 9.965 ( 0.000 17.807 -17.633) 25.060 9.965 ( 0.000 -3.895 -15.146) 15.638 10.302 ( 0.000 -1.497 -2.554) 2.960 10.381 ( 0.000 -7.385 -4.464) 8.629 10.492 ( 0.000 10.620 -5.373) 11.902 10.649 ( 0.000 10.734 4.849) 11.779 10.680 ( 0.000 -9.235 -14.287) 17.011 10.975 ( 0.000 -11.375 1.543) 11.479 11.433 ( 0.000 10.847 -12.766) 16.752 11.555 ( 0.000 2.192 -13.434) 13.612 11.906 ( 0.000 8.635 -4.514) 9.744 12.025 ( 0.000 -2.361 -8.791) 9.102 12.323 ( 0.000 7.064 -0.191) 7.067 12.507 ( 0.000 -9.730 2.078) 9.950 12.782 ( 0.000 5.104 5.450) 7.466 12.847 ( 0.000 -4.705 -4.016) 6.186 13.211 ( 0.000 1.594 7.289) 7.461 13.424 ( 0.000 -11.667 15.017) 19.016 13.677 ( 0.000 -4.247 -0.869) 4.335 13.767 ( 0.000 -8.305 3.606) 9.054 14.111 ( 0.000 1.518 -5.267) 5.481 14.181 ( 0.000 -4.709 -7.989) 9.273 14.493 ( 0.000 2.810 -3.863) 4.777 14.559 ( 0.000 -3.301 -10.951) 11.438 15.179 ( 0.000 6.065 -0.250) 6.071 15.233 ( 0.000 0.987 5.938) 6.020 15.893 ( 0.000 11.982 1.063) 12.029 16.096 ( 0.000 -6.540 -2.512) 7.006 16.139 ( 0.000 9.461 9.345) 13.298 16.411 ( 0.000 -14.170 5.041) 15.040 16.982 ( 0.000 23.088 -29.913) 37.787 17.403 ( 0.000 -10.868 -27.265) 29.351 18.151 ( 0.000 4.972 -26.502) 26.964 18.296 ( 0.000 -4.979 -12.305) 13.274 19.176 ( 0.000 10.565 32.110) 33.803 19.507 ( 0.000 -19.012 37.774) 42.288 22.996 ( 0.000 19.883 -7.361) 21.202 23.383 ( 0.000 -15.027 -10.374) 18.259 24.143 ( 0.000 -0.184 8.074) 8.076 24.155 ( 0.000 -1.021 3.751) 3.887 25.273 ( 0.000 1.914 -9.602) 9.791 25.289 ( 0.000 1.230 -10.344) 10.417 ======================= Grid point 78 (32/90) ======================= q-point: ( 0.10 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 11.056 31.677 8.280) 34.557 2.212 ( 10.369 29.256 18.551) 36.161 2.769 ( 16.165 -26.350 -0.823) 30.924 2.872 ( -3.904 -28.592 11.152) 30.937 4.216 ( 21.756 43.648 19.543) 52.540 4.497 ( 2.663 7.143 1.236) 7.723 4.575 ( 2.294 10.437 -0.211) 10.689 4.625 ( 2.317 -0.135 3.439) 4.149 4.748 ( 4.841 6.827 6.180) 10.404 5.188 ( 1.752 9.064 -3.308) 9.807 5.372 ( 3.536 11.352 13.787) 18.206 5.583 ( 5.772 -10.681 -1.802) 12.274 5.653 ( 4.268 -22.477 13.370) 26.499 5.787 ( 2.219 -9.813 4.371) 10.969 6.020 ( 9.327 -23.850 0.751) 25.620 6.161 ( 3.690 -9.572 1.733) 10.404 6.520 ( 7.127 2.340 13.699) 15.619 6.696 ( 1.117 -10.198 9.147) 13.745 6.980 ( -3.408 1.235 9.325) 10.005 7.057 ( 0.493 -3.861 8.850) 9.668 7.297 ( 0.898 7.168 4.448) 8.484 7.319 ( -0.957 5.580 7.218) 9.174 7.509 ( 4.836 5.565 5.888) 9.435 7.740 ( 0.987 -14.815 3.098) 15.167 8.388 ( -22.573 6.419 -8.020) 24.800 8.642 ( -13.988 -16.268 2.830) 21.641 8.890 ( -17.080 6.568 10.305) 21.002 9.071 ( -18.103 -8.718 7.535) 21.459 9.747 ( -4.591 6.671 -13.986) 16.161 9.824 ( 2.244 0.101 -17.313) 17.458 9.998 ( -4.461 8.773 -4.908) 10.998 10.039 ( -19.751 2.975 -3.849) 20.341 10.185 ( 11.870 6.294 -4.676) 14.226 10.392 ( 6.367 -5.381 -1.158) 8.417 10.433 ( -5.571 14.005 -11.775) 19.126 10.625 ( 1.493 -2.417 -6.157) 6.781 10.855 ( 11.001 -2.019 -4.334) 11.996 10.965 ( -0.623 -8.091 -1.008) 8.177 11.571 ( 10.173 10.837 -9.021) 17.387 11.718 ( 12.622 -1.590 -14.442) 19.246 11.920 ( -0.037 6.392 -5.822) 8.646 12.007 ( 0.506 -0.933 -9.992) 10.048 12.304 ( -2.467 5.567 0.134) 6.091 12.454 ( -5.915 -7.320 1.907) 9.603 12.765 ( 1.120 6.629 1.380) 6.863 12.925 ( 5.606 -7.295 -3.382) 9.802 13.293 ( 6.584 0.473 7.105) 9.698 13.379 ( -4.711 -5.688 10.496) 12.834 13.609 ( -3.808 4.118 0.712) 5.654 13.808 ( 2.075 -12.185 0.747) 12.383 14.038 ( -6.854 0.495 -2.734) 7.395 14.127 ( -5.841 -6.563 -2.038) 9.019 14.465 ( -2.500 3.211 -3.549) 5.399 14.543 ( -1.922 -3.813 -8.492) 9.505 15.105 ( -7.529 5.524 -0.307) 9.343 15.159 ( -6.651 0.845 2.711) 7.232 15.834 ( -5.102 11.367 1.266) 12.524 16.012 ( -10.255 7.032 4.401) 13.190 16.068 ( -3.703 -2.481 2.086) 4.921 16.274 ( -10.558 -8.276 3.928) 13.978 17.151 ( 13.498 15.058 -27.905) 34.462 17.467 ( 5.879 -8.740 -26.166) 28.206 18.155 ( 0.051 3.375 -25.144) 25.369 18.276 ( -1.913 -4.737 -13.377) 14.320 19.265 ( 9.139 11.098 32.118) 35.189 19.602 ( 9.549 -19.139 36.941) 42.686 23.056 ( 5.759 19.193 -7.219) 21.299 23.430 ( 4.292 -14.500 -10.453) 18.383 23.945 ( -19.387 2.029 10.860) 22.314 23.980 ( -17.320 -1.256 5.388) 18.183 25.094 ( -11.955 11.328 -7.974) 18.299 25.281 ( -4.884 -6.287 -10.360) 13.066 ======================= Grid point 79 (33/90) ======================= q-point: ( 0.20 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 15.519 22.877 14.737) 31.327 2.650 ( 26.693 18.971 7.347) 33.562 2.903 ( 8.203 -20.237 11.532) 24.694 3.197 ( 26.220 -22.957 -2.184) 34.918 4.446 ( 4.429 12.364 -2.398) 13.350 4.546 ( 1.873 1.759 -3.089) 4.018 4.651 ( 3.360 8.772 -2.664) 9.764 4.743 ( 1.603 -1.347 -0.600) 2.178 5.012 ( 19.016 19.106 15.292) 30.991 5.234 ( 4.115 11.707 7.211) 14.352 5.433 ( 1.188 3.490 13.805) 14.289 5.548 ( -7.161 -10.600 8.836) 15.547 5.724 ( -3.948 11.211 -0.675) 11.906 5.819 ( 13.177 7.893 10.571) 18.646 6.120 ( 0.593 -23.261 -11.594) 25.997 6.393 ( -12.371 -7.739 10.067) 17.728 6.523 ( 10.961 -8.664 12.414) 18.690 6.820 ( 17.387 -20.572 9.770) 28.652 6.964 ( 3.229 0.869 5.268) 6.240 7.065 ( 0.171 -4.485 1.217) 4.650 7.303 ( -1.869 6.877 4.342) 8.345 7.321 ( 1.665 4.346 7.761) 9.049 7.569 ( 0.560 6.837 6.707) 9.594 7.710 ( -2.392 -8.788 -2.990) 9.586 8.034 ( -10.435 7.755 7.804) 15.163 8.356 ( -15.456 -17.465 23.155) 32.864 8.649 ( -4.192 3.406 6.075) 8.129 8.800 ( -4.170 -10.770 -2.135) 11.745 9.586 ( -9.715 10.871 -15.552) 21.317 9.628 ( -18.157 5.427 -6.101) 19.909 9.863 ( -7.254 -4.559 -1.321) 8.669 9.928 ( 2.447 -9.425 -11.319) 14.931 10.232 ( -2.626 14.322 0.154) 14.562 10.450 ( 0.296 8.557 -10.674) 13.683 10.535 ( 6.777 -3.037 -1.659) 7.610 10.647 ( 2.861 -2.689 -8.549) 9.407 10.970 ( 1.278 -0.382 -1.721) 2.177 11.057 ( 8.641 -6.256 -0.515) 10.680 11.685 ( -2.963 6.059 -3.466) 7.583 11.770 ( -6.292 -0.761 -4.314) 7.666 11.976 ( 4.387 8.808 -7.194) 12.190 12.092 ( 6.736 -2.173 -10.664) 12.799 12.288 ( 3.800 -1.068 -10.463) 11.182 12.310 ( -6.445 -2.293 -5.311) 8.660 12.824 ( 3.878 7.745 -0.118) 8.663 13.032 ( 4.516 -8.928 -4.762) 11.081 13.237 ( -9.944 3.125 2.454) 10.709 13.325 ( -5.406 -3.767 1.377) 6.731 13.626 ( 4.856 8.793 4.714) 11.096 13.802 ( -2.870 -0.370 1.967) 3.499 13.892 ( -7.690 -5.129 1.461) 9.358 13.981 ( -6.340 -6.942 7.007) 11.726 14.403 ( -4.039 2.509 -2.403) 5.328 14.487 ( -2.996 -4.904 -4.033) 7.020 14.909 ( -11.350 6.072 -2.808) 13.174 15.010 ( -8.084 -1.707 -0.721) 8.293 15.728 ( -5.486 10.007 1.463) 11.506 15.807 ( -8.627 9.924 3.026) 13.493 15.985 ( -4.626 -5.319 3.400) 7.826 16.073 ( -9.351 -5.961 4.774) 12.073 17.416 ( 12.730 8.265 -26.801) 30.800 17.600 ( 7.080 -5.174 -23.954) 25.508 18.139 ( -1.812 1.429 -21.647) 21.770 18.226 ( -3.158 -4.462 -16.398) 17.285 19.529 ( 17.848 11.929 30.971) 37.683 19.870 ( 17.714 -19.003 33.950) 42.749 23.159 ( -2.069 14.659 -3.741) 15.270 23.383 ( -21.998 -4.859 1.063) 22.553 23.501 ( -19.220 6.528 11.949) 23.555 23.671 ( 0.794 -8.601 -2.343) 8.950 24.859 ( -11.994 14.733 -6.496) 20.077 25.128 ( -10.070 -9.714 -9.813) 17.090 ======================= Grid point 80 (34/90) ======================= q-point: ( 0.30 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 20.280 13.206 12.964) 27.454 3.037 ( 13.226 -14.173 10.186) 21.899 3.270 ( 26.805 18.259 3.562) 32.628 3.737 ( 27.785 -20.586 -2.045) 34.641 4.493 ( -2.940 14.147 -4.591) 15.161 4.561 ( 0.223 6.299 -3.583) 7.251 4.678 ( -7.917 3.925 -3.192) 9.396 4.684 ( -1.296 5.714 -0.980) 5.940 4.973 ( -10.164 -4.924 4.985) 12.344 5.141 ( -29.137 -20.491 -0.583) 35.625 5.473 ( 5.304 7.920 16.558) 19.106 5.525 ( 10.534 3.065 9.431) 14.467 5.717 ( 1.613 10.959 4.144) 11.827 5.922 ( -6.204 -6.183 4.354) 9.781 6.095 ( -9.460 -3.815 11.800) 15.598 6.196 ( -5.994 -6.775 8.237) 12.235 6.762 ( 27.983 19.705 10.933) 35.929 6.952 ( 3.083 3.036 4.073) 5.942 7.077 ( 2.115 -3.074 -1.257) 3.937 7.236 ( -3.181 -1.379 9.373) 9.994 7.253 ( 0.827 0.693 8.369) 8.438 7.527 ( 26.415 -15.591 0.589) 30.678 7.557 ( 1.128 6.720 3.648) 7.729 7.753 ( 7.519 -14.787 -2.435) 16.767 7.970 ( 3.613 2.043 17.886) 18.361 8.164 ( -2.147 -7.915 15.645) 17.664 8.719 ( 8.940 4.384 -1.429) 10.059 8.869 ( 6.800 -7.482 -3.276) 10.628 9.350 ( -8.858 6.810 -7.707) 13.573 9.401 ( -8.913 13.909 -13.083) 21.073 9.745 ( -4.735 -10.458 -0.149) 11.481 9.902 ( -4.522 -11.516 -4.635) 13.211 10.172 ( -4.212 4.354 1.189) 6.173 10.328 ( -9.806 -2.793 -4.975) 11.345 10.656 ( -0.505 4.301 -5.217) 6.781 10.672 ( -3.847 0.862 -7.680) 8.633 10.977 ( 1.066 9.176 3.066) 9.733 11.190 ( 5.732 -8.774 -1.184) 10.548 11.496 ( -8.596 4.780 -0.791) 9.867 11.646 ( -6.776 -7.541 -6.259) 11.915 12.018 ( 1.516 9.155 -7.675) 12.042 12.155 ( -0.211 -2.692 -10.444) 10.788 12.321 ( 6.282 2.547 -5.753) 8.891 12.408 ( 5.651 -5.752 -9.995) 12.842 12.868 ( -1.205 6.482 -0.212) 6.597 12.995 ( -12.124 2.021 -1.198) 12.350 13.077 ( -1.483 -3.297 1.405) 3.878 13.147 ( -10.323 -4.628 1.151) 11.371 13.639 ( -3.649 4.397 -0.699) 5.756 13.736 ( -5.140 -3.338 5.535) 8.258 13.800 ( -0.115 6.614 7.488) 9.991 13.910 ( -2.179 -2.716 4.853) 5.973 14.318 ( -3.414 5.860 -3.540) 7.650 14.467 ( 1.137 -6.371 -1.465) 6.635 14.699 ( -9.637 7.084 -5.416) 13.129 14.858 ( -7.291 -4.037 -1.737) 8.514 15.637 ( -2.725 7.586 1.882) 8.278 15.703 ( -2.763 5.341 0.896) 6.079 15.897 ( -4.306 -5.146 4.948) 8.337 15.920 ( -6.332 -4.757 5.680) 9.746 17.633 ( 9.518 4.279 -24.094) 26.257 17.731 ( 6.226 -2.860 -22.368) 23.394 18.087 ( -3.386 0.694 -19.289) 19.596 18.151 ( -4.600 -3.816 -18.355) 19.304 19.957 ( 25.896 11.686 27.691) 39.673 20.281 ( 24.095 -17.763 29.362) 41.931 22.696 ( -33.729 3.280 13.778) 36.583 22.752 ( -37.117 -1.844 10.908) 38.730 23.538 ( 11.976 16.280 -2.620) 20.380 23.843 ( 11.981 -11.275 -8.081) 18.330 24.620 ( -12.711 14.915 -5.519) 20.359 24.906 ( -12.481 -10.706 -9.231) 18.857 ======================= Grid point 81 (35/90) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 22.855 5.796 9.700) 25.496 3.306 ( 15.975 -10.030 9.758) 21.237 3.768 ( 23.020 21.943 1.546) 31.840 4.125 ( -16.172 5.829 -1.512) 17.257 4.237 ( -1.227 -8.912 -0.505) 9.010 4.381 ( -17.027 -7.028 -1.713) 18.500 4.445 ( -15.674 7.646 1.336) 17.490 4.632 ( -1.709 -2.523 -3.802) 4.873 4.769 ( 1.520 4.900 4.928) 7.114 4.997 ( 9.026 -14.411 4.728) 17.649 5.264 ( -18.923 9.459 13.202) 24.937 5.631 ( -13.004 -16.330 6.007) 21.723 5.756 ( 7.032 7.803 8.335) 13.409 5.897 ( -2.193 -0.790 7.628) 7.976 5.950 ( 4.778 -4.479 10.173) 12.099 6.100 ( -1.933 -9.799 6.773) 12.068 7.009 ( 3.500 3.940 4.694) 7.057 7.079 ( 2.257 -0.254 2.896) 3.680 7.141 ( -1.507 0.829 7.437) 7.633 7.165 ( -3.483 -3.240 7.649) 9.007 7.479 ( 18.081 22.516 6.356) 29.569 7.627 ( 5.228 12.413 2.445) 13.689 7.815 ( 9.126 -5.881 -4.446) 11.732 8.000 ( 3.179 -17.647 0.533) 17.939 8.114 ( 20.600 11.544 10.509) 25.847 8.453 ( 29.693 -19.787 7.288) 36.418 8.884 ( 2.967 10.801 -0.920) 11.239 8.949 ( 3.517 9.645 -5.090) 11.458 9.196 ( -8.456 19.045 -7.937) 22.298 9.358 ( 2.071 -5.557 -3.502) 6.887 9.685 ( -1.460 -19.081 -1.460) 19.193 9.766 ( -9.085 -18.012 -5.243) 20.843 10.064 ( -5.718 3.671 -2.059) 7.099 10.129 ( -10.032 1.010 -4.483) 11.035 10.356 ( -18.238 4.635 2.660) 19.005 10.485 ( -16.462 -3.877 -0.873) 16.935 11.131 ( 11.530 8.736 -2.296) 14.646 11.301 ( 5.417 -0.875 -8.830) 10.396 11.426 ( -0.954 -2.756 -6.196) 6.848 11.546 ( -3.973 -8.312 -7.351) 11.786 12.074 ( 4.933 7.263 -6.302) 10.807 12.174 ( 2.921 0.073 -9.138) 9.594 12.377 ( -2.807 -0.258 -2.900) 4.044 12.461 ( -2.310 -8.268 -2.513) 8.945 12.754 ( -3.802 7.051 2.928) 8.529 12.825 ( -5.399 2.867 8.497) 10.468 13.017 ( -4.268 -3.265 5.791) 7.900 13.020 ( -3.179 -3.488 5.635) 7.351 13.540 ( -3.973 8.069 -2.041) 9.223 13.689 ( -6.631 6.359 1.861) 9.374 13.733 ( 0.689 -5.987 2.160) 6.402 13.882 ( -2.546 -6.629 4.573) 8.446 14.312 ( 2.877 12.420 -4.740) 13.601 14.496 ( -1.589 5.187 -5.879) 8.000 14.567 ( -1.113 -0.787 -4.007) 4.233 14.730 ( -5.867 -4.062 -2.923) 7.712 15.632 ( 1.708 3.547 2.584) 4.709 15.679 ( -0.008 2.770 1.741) 3.272 15.813 ( -3.947 -5.089 4.782) 8.021 15.828 ( -3.564 -3.691 4.913) 7.104 17.794 ( 7.292 1.854 -21.033) 22.338 17.841 ( 5.140 -1.756 -21.325) 22.006 18.013 ( -4.116 0.181 -19.223) 19.659 18.049 ( -5.715 -2.411 -18.713) 19.715 20.531 ( 32.695 9.664 23.223) 41.251 20.799 ( 28.838 -14.706 24.867) 40.820 21.974 ( -39.278 2.550 14.795) 42.049 22.048 ( -34.453 -3.900 17.892) 39.017 23.800 ( 14.228 15.964 -3.910) 21.738 24.095 ( 13.506 -10.344 -8.656) 19.087 24.362 ( -13.534 14.421 -4.626) 20.311 24.648 ( -13.750 -10.880 -8.764) 19.602 ======================= Grid point 82 (36/90) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( -25.795 3.595 4.539) 26.437 3.606 ( 25.795 3.595 4.539) 26.437 3.726 ( -27.001 -6.836 7.783) 28.920 3.726 ( 27.001 -6.836 7.783) 28.920 4.155 ( -16.645 20.554 0.695) 26.458 4.155 ( 16.645 20.554 0.695) 26.458 4.550 ( -8.189 -10.799 -2.288) 13.745 4.550 ( 8.189 -10.799 -2.288) 13.745 4.925 ( -13.288 8.459 8.482) 17.891 4.925 ( 13.288 8.459 8.482) 17.891 5.277 ( -17.700 -21.240 4.558) 28.021 5.277 ( 17.700 -21.240 4.558) 28.021 5.866 ( -3.064 8.261 8.347) 12.137 5.866 ( 3.064 8.261 8.347) 12.137 6.053 ( -3.762 -8.779 7.640) 12.231 6.053 ( 3.762 -8.779 7.640) 12.231 7.073 ( -3.012 2.026 5.333) 6.452 7.073 ( 3.012 2.026 5.333) 6.452 7.121 ( -1.329 -2.270 7.395) 7.849 7.121 ( 1.329 -2.270 7.395) 7.849 7.653 ( -3.300 15.495 2.420) 16.027 7.653 ( 3.300 15.495 2.420) 16.027 7.947 ( -4.750 -9.949 -1.149) 11.084 7.947 ( 4.750 -9.949 -1.149) 11.084 8.686 ( -23.587 13.843 -0.688) 27.358 8.686 ( 23.587 13.843 -0.688) 27.358 8.951 ( -11.485 -6.006 0.146) 12.961 8.951 ( 11.485 -6.006 0.146) 12.961 9.171 ( -14.221 15.648 -1.010) 21.169 9.171 ( 14.221 15.648 -1.010) 21.169 9.676 ( -1.136 -24.421 -4.801) 24.914 9.676 ( 1.136 -24.421 -4.801) 24.914 10.014 ( -1.205 8.098 -1.819) 8.387 10.014 ( 1.205 8.098 -1.819) 8.387 10.213 ( -5.803 -8.648 0.208) 10.417 10.213 ( 5.803 -8.648 0.208) 10.417 11.318 ( -5.958 6.596 -7.798) 11.825 11.318 ( 5.958 6.596 -7.798) 11.825 11.454 ( -5.070 -6.493 -9.255) 12.391 11.454 ( 5.070 -6.493 -9.255) 12.391 12.209 ( -6.746 3.452 -4.105) 8.618 12.209 ( 6.746 3.452 -4.105) 8.618 12.322 ( -6.661 -5.572 -2.960) 9.175 12.322 ( 6.661 -5.572 -2.960) 9.175 12.778 ( -1.713 8.140 12.168) 14.740 12.778 ( 1.713 8.140 12.168) 14.740 12.967 ( -1.029 -7.096 5.727) 9.176 12.967 ( 1.029 -7.096 5.727) 9.176 13.550 ( -5.048 11.342 -0.824) 12.442 13.550 ( 5.048 11.342 -0.824) 12.442 13.802 ( -4.772 -11.758 1.693) 12.802 13.802 ( 4.772 -11.758 1.693) 12.802 14.402 ( -5.522 14.256 -6.209) 16.501 14.402 ( 5.522 14.256 -6.209) 16.501 14.629 ( -4.598 -5.006 -3.937) 7.855 14.629 ( 4.598 -5.006 -3.937) 7.855 15.674 ( -1.578 2.868 3.827) 5.036 15.674 ( 1.578 2.868 3.827) 5.036 15.776 ( -0.980 -5.009 3.343) 6.102 15.776 ( 0.980 -5.009 3.343) 6.102 17.922 ( -5.324 0.132 -19.933) 20.632 17.922 ( 5.324 0.132 -19.933) 20.632 17.938 ( -4.807 -1.217 -19.523) 20.143 17.938 ( 4.807 -1.217 -19.523) 20.143 21.219 ( -37.510 6.251 18.753) 42.400 21.219 ( 37.510 6.251 18.753) 42.400 21.397 ( -32.243 -9.803 21.162) 39.794 21.397 ( 32.243 -9.803 21.162) 39.794 24.080 ( -14.202 15.562 -4.554) 21.555 24.080 ( 14.202 15.562 -4.554) 21.555 24.376 ( -13.982 -10.989 -8.320) 19.634 24.376 ( 13.982 -10.989 -8.320) 19.634 ======================= Grid point 110 (37/90) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 0.000 38.931) 38.931 1.864 ( 0.000 0.000 44.421) 44.421 3.504 ( 0.000 0.000 72.791) 72.791 3.573 ( 0.000 0.000 -6.011) 6.011 3.664 ( 0.000 0.000 -8.454) 8.454 3.740 ( 0.000 0.000 10.967) 10.967 4.378 ( 0.000 0.000 -8.316) 8.316 4.499 ( 0.000 0.000 -7.714) 7.714 4.931 ( 0.000 0.000 1.822) 1.822 5.231 ( 0.000 0.000 23.266) 23.266 5.658 ( 0.000 0.000 34.104) 34.104 5.671 ( 0.000 0.000 -10.453) 10.453 5.955 ( 0.000 0.000 23.692) 23.692 6.242 ( 0.000 0.000 -2.741) 2.741 6.258 ( 0.000 0.000 21.023) 21.023 6.604 ( 0.000 0.000 2.868) 2.868 6.643 ( 0.000 0.000 5.546) 5.546 6.899 ( 0.000 0.000 23.417) 23.417 6.996 ( 0.000 0.000 3.705) 3.705 7.000 ( 0.000 0.000 -39.052) 39.052 7.609 ( 0.000 0.000 14.993) 14.993 7.716 ( 0.000 0.000 28.839) 28.839 7.846 ( 0.000 0.000 -5.484) 5.484 8.361 ( 0.000 0.000 -13.368) 13.368 8.366 ( 0.000 0.000 -8.964) 8.964 8.728 ( 0.000 0.000 4.917) 4.917 9.142 ( 0.000 0.000 -4.257) 4.257 9.222 ( 0.000 0.000 -16.085) 16.085 9.248 ( 0.000 0.000 -12.344) 12.344 9.300 ( 0.000 0.000 -3.968) 3.968 9.418 ( 0.000 0.000 -20.395) 20.395 9.677 ( 0.000 0.000 -3.809) 3.809 9.738 ( 0.000 0.000 -18.095) 18.095 10.037 ( 0.000 0.000 -2.230) 2.230 10.491 ( 0.000 0.000 -11.024) 11.024 10.518 ( 0.000 0.000 -3.934) 3.934 11.157 ( 0.000 0.000 12.766) 12.766 11.157 ( 0.000 0.000 15.846) 15.846 11.257 ( 0.000 0.000 0.317) 0.317 11.344 ( 0.000 0.000 4.443) 4.443 11.839 ( 0.000 0.000 18.052) 18.052 11.874 ( 0.000 0.000 -6.569) 6.569 12.000 ( 0.000 0.000 -8.621) 8.621 12.592 ( 0.000 0.000 0.955) 0.955 12.833 ( 0.000 0.000 0.543) 0.543 13.260 ( 0.000 0.000 -8.088) 8.088 13.262 ( 0.000 0.000 -7.463) 7.463 13.485 ( 0.000 0.000 -1.128) 1.128 13.938 ( 0.000 0.000 -5.416) 5.416 14.070 ( 0.000 0.000 -15.310) 15.310 14.108 ( 0.000 0.000 -9.471) 9.471 14.185 ( 0.000 0.000 4.768) 4.768 14.260 ( 0.000 0.000 7.358) 7.358 14.345 ( 0.000 0.000 -18.382) 18.382 15.055 ( 0.000 0.000 -10.987) 10.987 15.456 ( 0.000 0.000 5.458) 5.458 15.885 ( 0.000 0.000 8.837) 8.837 15.893 ( 0.000 0.000 -12.019) 12.019 15.914 ( 0.000 0.000 -0.495) 0.495 16.290 ( 0.000 0.000 21.895) 21.895 16.365 ( 0.000 0.000 3.683) 3.683 16.848 ( 0.000 0.000 -1.784) 1.784 17.519 ( 0.000 0.000 -37.727) 37.727 18.153 ( 0.000 0.000 -14.594) 14.594 19.541 ( 0.000 0.000 30.416) 30.416 20.907 ( 0.000 0.000 34.652) 34.652 22.451 ( 0.000 0.000 1.978) 1.978 23.335 ( 0.000 0.000 -26.110) 26.110 24.181 ( 0.000 0.000 -0.705) 0.705 24.509 ( 0.000 0.000 -1.474) 1.474 24.526 ( 0.000 0.000 -1.949) 1.949 24.888 ( 0.000 0.000 -17.400) 17.400 ======================= Grid point 111 (38/90) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 3.617 0.000 42.256) 42.410 1.952 ( 14.361 0.000 33.384) 36.341 3.589 ( 3.825 0.000 0.966) 3.945 3.677 ( 10.216 0.000 -4.294) 11.081 3.753 ( 3.644 0.000 3.990) 5.403 4.038 ( 34.170 0.000 53.376) 63.377 4.380 ( 4.073 0.000 -0.586) 4.115 4.498 ( -0.563 0.000 -6.795) 6.818 4.918 ( -2.010 0.000 1.386) 2.441 5.183 ( -3.627 0.000 21.611) 21.913 5.585 ( 0.586 0.000 25.869) 25.875 5.858 ( -4.045 0.000 15.981) 16.485 6.082 ( -7.376 0.000 8.254) 11.070 6.096 ( 26.626 0.000 -1.964) 26.698 6.414 ( 2.046 0.000 8.441) 8.685 6.459 ( -8.788 0.000 -5.901) 10.585 6.647 ( -0.523 0.000 5.053) 5.080 6.981 ( 0.058 0.000 -9.180) 9.180 7.005 ( 9.067 0.000 18.708) 20.789 7.050 ( 2.073 0.000 -12.858) 13.024 7.548 ( -5.871 0.000 15.606) 16.674 7.643 ( -3.542 0.000 21.328) 21.620 7.915 ( 3.707 0.000 -0.940) 3.824 8.114 ( -22.081 0.000 -9.775) 24.148 8.380 ( 2.369 0.000 -9.851) 10.132 8.679 ( -4.530 0.000 5.946) 7.475 8.942 ( -19.078 0.000 -6.628) 20.196 9.103 ( 4.499 0.000 5.694) 7.257 9.239 ( -4.641 0.000 -9.837) 10.876 9.366 ( -7.440 0.000 -16.444) 18.049 9.562 ( 20.558 0.000 -9.174) 22.512 9.742 ( 4.908 0.000 -18.767) 19.399 9.868 ( -0.610 0.000 -11.607) 11.623 10.126 ( 12.437 0.000 3.058) 12.808 10.309 ( -11.135 0.000 -10.153) 15.069 10.520 ( 0.540 0.000 -3.620) 3.660 11.177 ( 0.710 0.000 9.772) 9.798 11.223 ( 13.395 0.000 12.627) 18.408 11.362 ( 1.448 0.000 5.481) 5.670 11.539 ( 10.581 0.000 0.894) 10.619 11.835 ( 7.044 0.000 -5.564) 8.977 11.923 ( 3.775 0.000 8.993) 9.753 11.945 ( -6.649 0.000 -11.993) 13.713 12.534 ( -5.023 0.000 3.075) 5.889 12.759 ( -6.208 0.000 -1.295) 6.342 13.173 ( -4.147 0.000 -6.389) 7.617 13.276 ( -3.232 0.000 -13.183) 13.574 13.477 ( 0.310 0.000 -1.102) 1.145 13.496 ( -29.062 0.000 -0.870) 29.075 13.964 ( -8.873 0.000 -3.523) 9.547 14.017 ( -3.219 0.000 -12.228) 12.644 14.278 ( -6.839 0.000 -18.087) 19.337 14.427 ( 8.827 0.000 3.546) 9.513 14.515 ( 16.217 0.000 3.792) 16.654 15.017 ( -2.628 0.000 -6.018) 6.567 15.347 ( -34.009 0.000 7.023) 34.727 15.466 ( 1.123 0.000 5.688) 5.798 15.846 ( -7.156 0.000 7.409) 10.300 15.902 ( -1.212 0.000 -1.748) 2.127 16.215 ( -0.682 0.000 8.166) 8.195 16.806 ( 21.589 0.000 -4.453) 22.043 16.895 ( 4.779 0.000 -4.788) 6.765 17.559 ( 3.356 0.000 -36.673) 36.826 18.112 ( -4.110 0.000 -15.686) 16.215 19.621 ( 8.208 0.000 30.558) 31.642 20.999 ( 8.885 0.000 34.185) 35.321 22.529 ( 7.644 0.000 2.145) 7.939 23.367 ( 3.063 0.000 -26.143) 26.322 24.017 ( -16.199 0.000 0.741) 16.216 24.143 ( -27.762 0.000 11.003) 29.863 24.478 ( -3.542 0.000 -1.328) 3.783 24.992 ( 2.739 0.000 -20.785) 20.965 ======================= Grid point 112 (39/90) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 18.553 0.000 26.166) 32.076 2.331 ( 23.529 0.000 23.081) 32.960 3.694 ( 7.761 0.000 -9.662) 12.393 3.829 ( 3.121 0.000 0.572) 3.173 3.932 ( 14.098 0.000 -0.359) 14.103 4.423 ( 8.645 0.000 -6.169) 10.620 4.457 ( -3.407 0.000 -4.009) 5.261 4.820 ( -8.583 0.000 0.896) 8.630 4.880 ( 31.089 0.000 51.740) 60.362 5.238 ( 17.995 0.000 22.596) 28.886 5.642 ( 4.249 0.000 19.424) 19.883 5.780 ( -0.799 0.000 21.979) 21.993 5.889 ( -15.910 0.000 -11.077) 19.386 6.234 ( -2.970 0.000 8.157) 8.681 6.453 ( -6.719 0.000 12.134) 13.870 6.605 ( 0.182 0.000 10.765) 10.766 6.624 ( 19.140 0.000 -7.838) 20.682 6.993 ( 0.367 0.000 -10.675) 10.681 7.036 ( -3.082 0.000 0.143) 3.085 7.180 ( 8.250 0.000 6.846) 10.721 7.352 ( -15.088 0.000 9.104) 17.622 7.647 ( 4.334 0.000 18.022) 18.536 7.757 ( -9.097 0.000 -5.207) 10.481 7.969 ( 2.817 0.000 -3.837) 4.760 8.455 ( 4.769 0.000 -0.829) 4.841 8.518 ( -21.278 0.000 -4.894) 21.833 8.569 ( -8.604 0.000 10.086) 13.257 9.141 ( -3.870 0.000 -10.135) 10.849 9.207 ( -7.343 0.000 -10.810) 13.068 9.313 ( 14.655 0.000 6.563) 16.057 9.658 ( -14.790 0.000 6.555) 16.177 9.887 ( 6.752 0.000 -14.551) 16.041 9.927 ( 14.528 0.000 0.034) 14.528 10.150 ( -3.935 0.000 -9.075) 9.892 10.400 ( 11.777 0.000 -14.980) 19.055 10.571 ( 5.457 0.000 -5.633) 7.843 11.122 ( -7.001 0.000 5.642) 8.992 11.354 ( -5.129 0.000 6.511) 8.288 11.507 ( -3.650 0.000 -1.259) 3.861 11.639 ( 22.869 0.000 7.957) 24.213 11.747 ( -9.597 0.000 -13.214) 16.331 11.975 ( 4.138 0.000 10.377) 11.171 12.188 ( 18.696 0.000 -16.684) 25.058 12.411 ( -8.060 0.000 3.893) 8.951 12.683 ( 0.130 0.000 -2.221) 2.225 12.950 ( -26.087 0.000 -1.908) 26.157 13.117 ( -2.285 0.000 -13.262) 13.458 13.157 ( -7.132 0.000 -9.019) 11.498 13.512 ( 2.974 0.000 -3.412) 4.526 13.813 ( -5.603 0.000 0.332) 5.613 13.913 ( -8.509 0.000 -6.337) 10.610 14.056 ( -15.344 0.000 -12.091) 19.535 14.459 ( -5.909 0.000 1.605) 6.123 14.741 ( 3.565 0.000 5.124) 6.242 14.796 ( -17.365 0.000 8.087) 19.155 15.020 ( 2.508 0.000 4.315) 4.991 15.504 ( 2.941 0.000 5.384) 6.135 15.695 ( -7.123 0.000 3.897) 8.120 15.871 ( -1.677 0.000 -2.408) 2.935 16.178 ( -3.621 0.000 6.561) 7.494 17.025 ( 8.111 0.000 -11.645) 14.191 17.117 ( 11.189 0.000 -11.660) 16.161 17.616 ( 1.794 0.000 -33.834) 33.881 18.002 ( -6.909 0.000 -18.245) 19.509 19.862 ( 16.496 0.000 30.384) 34.573 21.228 ( 14.037 0.000 33.104) 35.957 22.733 ( 12.786 0.000 2.476) 13.024 23.385 ( -7.786 0.000 -12.075) 14.367 23.577 ( -28.248 0.000 4.498) 28.604 23.690 ( -10.906 0.000 7.189) 13.063 24.365 ( -7.989 0.000 -0.727) 8.022 24.950 ( -6.268 0.000 -21.195) 22.102 ======================= Grid point 113 (40/90) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 22.695 0.000 10.368) 24.951 2.832 ( 26.941 0.000 14.476) 30.584 3.760 ( -4.251 0.000 2.594) 4.980 3.977 ( 14.531 0.000 -11.853) 18.752 4.071 ( -2.591 0.000 4.476) 5.172 4.487 ( 9.299 0.000 -0.690) 9.325 4.575 ( -16.381 0.000 0.461) 16.388 4.592 ( 7.725 0.000 -1.277) 7.830 5.175 ( 9.105 0.000 15.976) 18.388 5.516 ( -19.548 0.000 -16.573) 25.628 5.608 ( 6.401 0.000 19.542) 20.564 5.826 ( 7.237 0.000 21.138) 22.342 6.039 ( 28.806 0.000 26.863) 39.387 6.133 ( -23.351 0.000 23.418) 33.070 6.295 ( 5.874 0.000 13.639) 14.851 6.559 ( 2.876 0.000 -0.160) 2.881 6.844 ( -13.100 0.000 -0.601) 13.113 6.956 ( 14.865 0.000 15.109) 21.195 7.069 ( 1.732 0.000 2.483) 3.028 7.118 ( -4.043 0.000 -7.252) 8.302 7.314 ( 4.800 0.000 6.836) 8.353 7.703 ( 0.497 0.000 -6.854) 6.872 7.757 ( 4.665 0.000 14.057) 14.811 8.054 ( 4.627 0.000 -6.329) 7.840 8.152 ( -12.937 0.000 -0.038) 12.937 8.413 ( -8.352 0.000 8.908) 12.211 8.567 ( 8.642 0.000 3.272) 9.241 8.979 ( -19.140 0.000 10.227) 21.701 9.136 ( 3.677 0.000 -10.553) 11.175 9.464 ( -0.334 0.000 -1.383) 1.422 9.555 ( 6.631 0.000 -3.484) 7.491 9.976 ( 1.609 0.000 -8.441) 8.593 10.106 ( 5.408 0.000 3.643) 6.521 10.167 ( 4.417 0.000 -9.770) 10.722 10.527 ( 1.015 0.000 -17.206) 17.236 10.656 ( -2.540 0.000 -1.968) 3.213 10.960 ( -5.851 0.000 0.911) 5.921 11.090 ( -17.443 0.000 1.852) 17.541 11.483 ( 3.386 0.000 -8.851) 9.476 11.763 ( 10.371 0.000 -5.209) 11.606 11.971 ( 5.930 0.000 7.243) 9.361 12.123 ( 12.579 0.000 2.105) 12.754 12.247 ( -7.821 0.000 6.889) 10.422 12.473 ( 10.327 0.000 -16.562) 19.518 12.479 ( -19.535 0.000 -3.117) 19.782 12.759 ( 4.837 0.000 0.399) 4.854 12.982 ( -8.048 0.000 -14.777) 16.826 13.113 ( -0.886 0.000 -7.027) 7.083 13.586 ( 4.707 0.000 -2.684) 5.418 13.604 ( -21.378 0.000 1.413) 21.425 13.787 ( -12.717 0.000 -6.813) 14.427 13.812 ( 6.832 0.000 2.315) 7.214 14.278 ( -10.578 0.000 1.602) 10.698 14.516 ( -7.526 0.000 0.751) 7.563 14.802 ( -2.015 0.000 7.946) 8.198 15.013 ( -5.050 0.000 9.206) 10.501 15.585 ( 5.282 0.000 3.621) 6.404 15.609 ( -0.999 0.000 0.559) 1.145 15.853 ( 0.008 0.000 -0.825) 0.825 16.074 ( -6.816 0.000 5.333) 8.655 17.194 ( 8.784 0.000 -18.113) 20.131 17.279 ( 6.244 0.000 -15.438) 16.653 17.616 ( -1.711 0.000 -30.400) 30.448 17.852 ( -8.301 0.000 -21.117) 22.690 20.263 ( 24.507 0.000 28.858) 37.860 21.530 ( 16.624 0.000 31.135) 35.295 22.941 ( -33.254 0.000 8.857) 34.413 23.014 ( 12.795 0.000 3.512) 13.268 23.028 ( -21.695 0.000 17.465) 27.851 23.756 ( 10.090 0.000 -18.758) 21.300 24.172 ( -11.615 0.000 0.218) 11.617 24.775 ( -11.158 0.000 -20.912) 23.703 ======================= Grid point 114 (41/90) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 21.422 0.000 2.575) 21.576 3.338 ( 23.610 0.000 7.373) 24.735 3.603 ( -11.334 0.000 0.365) 11.339 4.016 ( 0.009 0.000 7.411) 7.411 4.208 ( -17.604 0.000 3.019) 17.861 4.277 ( 14.586 0.000 -3.007) 14.893 4.622 ( -3.272 0.000 -4.851) 5.851 4.654 ( -2.462 0.000 7.104) 7.518 5.231 ( -5.193 0.000 0.451) 5.212 5.374 ( 12.798 0.000 0.756) 12.820 5.672 ( -21.252 0.000 28.438) 35.502 5.711 ( 2.358 0.000 11.125) 11.372 5.952 ( 5.986 0.000 15.641) 16.748 6.184 ( -5.692 0.000 3.366) 6.613 6.392 ( 3.458 0.000 6.955) 7.767 6.603 ( -9.912 0.000 -1.396) 10.010 6.864 ( 18.813 0.000 12.373) 22.516 7.052 ( 0.567 0.000 -2.746) 2.804 7.135 ( -0.192 0.000 -0.856) 0.877 7.248 ( 6.865 0.000 19.641) 20.806 7.411 ( 9.296 0.000 14.399) 17.139 7.765 ( 7.125 0.000 -12.696) 14.558 7.770 ( -5.548 0.000 8.996) 10.569 8.040 ( 0.041 0.000 10.089) 10.089 8.191 ( 17.512 0.000 1.363) 17.565 8.245 ( -8.425 0.000 3.833) 9.256 8.551 ( -21.743 0.000 12.053) 24.860 8.819 ( 13.790 0.000 -0.889) 13.819 9.215 ( 0.805 0.000 -6.511) 6.560 9.487 ( -12.782 0.000 -6.057) 14.144 9.588 ( 10.233 0.000 0.739) 10.259 9.945 ( -4.830 0.000 -1.417) 5.033 10.196 ( 4.128 0.000 -2.262) 4.707 10.271 ( 5.520 0.000 -9.920) 11.352 10.412 ( -15.063 0.000 -0.373) 15.067 10.477 ( -4.798 0.000 -13.980) 14.781 10.860 ( -5.140 0.000 -5.366) 7.431 10.920 ( -2.702 0.000 -4.923) 5.615 11.629 ( 10.302 0.000 -14.118) 17.477 11.963 ( 3.261 0.000 -0.665) 3.329 11.984 ( -3.680 0.000 -7.023) 7.929 12.118 ( -5.690 0.000 11.171) 12.536 12.302 ( 6.341 0.000 -2.217) 6.717 12.325 ( 10.133 0.000 8.171) 13.017 12.573 ( -2.234 0.000 -9.093) 9.363 12.868 ( 5.118 0.000 1.785) 5.420 12.900 ( 1.995 0.000 -8.037) 8.281 13.079 ( -2.768 0.000 -8.500) 8.939 13.191 ( -18.616 0.000 4.787) 19.222 13.497 ( -16.873 0.000 -2.020) 16.993 13.703 ( 7.223 0.000 -1.543) 7.386 13.994 ( 0.697 0.000 3.377) 3.448 14.150 ( 7.199 0.000 1.853) 7.434 14.464 ( 1.677 0.000 -1.010) 1.958 14.700 ( -7.349 0.000 4.170) 8.450 14.815 ( -14.584 0.000 8.877) 17.073 15.651 ( 4.723 0.000 0.703) 4.775 15.700 ( 6.118 0.000 2.487) 6.604 15.853 ( -0.798 0.000 1.371) 1.587 15.925 ( -8.055 0.000 3.796) 8.905 17.359 ( 8.229 0.000 -22.299) 23.768 17.382 ( 4.714 0.000 -19.092) 19.665 17.558 ( -3.984 0.000 -26.820) 27.114 17.685 ( -8.647 0.000 -23.358) 24.908 20.811 ( 31.530 0.000 25.549) 40.582 21.869 ( 18.030 0.000 28.417) 33.654 22.214 ( -38.300 0.000 15.274) 41.233 22.616 ( -20.427 0.000 22.428) 30.336 23.318 ( 16.018 0.000 2.710) 16.246 23.920 ( -14.136 0.000 1.278) 14.194 23.989 ( 13.257 0.000 -21.167) 24.976 24.531 ( -13.517 0.000 -20.973) 24.951 ======================= Grid point 115 (42/90) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( -17.443 0.000 0.158) 17.443 3.321 ( 17.443 0.000 0.158) 17.443 3.744 ( -19.709 0.000 4.662) 20.253 3.744 ( 19.709 0.000 4.662) 20.253 4.330 ( -19.695 0.000 0.752) 19.709 4.330 ( 19.695 0.000 0.752) 19.709 4.520 ( -10.177 0.000 5.354) 11.499 4.520 ( 10.177 0.000 5.354) 11.499 5.343 ( -12.664 0.000 19.157) 22.965 5.343 ( 12.664 0.000 19.157) 22.965 5.629 ( -10.646 0.000 0.000) 10.646 5.629 ( 10.646 0.000 0.000) 10.646 6.062 ( -5.650 0.000 9.356) 10.930 6.062 ( 5.650 0.000 9.356) 10.930 6.462 ( -4.868 0.000 -0.624) 4.907 6.462 ( 4.868 0.000 -0.624) 4.907 7.094 ( -3.046 0.000 -0.183) 3.051 7.094 ( 3.046 0.000 -0.183) 3.051 7.169 ( -11.612 0.000 14.481) 18.562 7.169 ( 11.612 0.000 14.481) 18.562 7.596 ( -9.158 0.000 11.744) 14.893 7.596 ( 9.158 0.000 11.744) 14.893 7.969 ( -11.067 0.000 -3.608) 11.640 7.969 ( 11.067 0.000 -3.608) 11.640 8.221 ( -9.894 0.000 9.578) 13.771 8.221 ( 9.894 0.000 9.578) 13.771 8.738 ( -28.218 0.000 -2.800) 28.356 8.738 ( 28.218 0.000 -2.800) 28.356 9.239 ( -9.491 0.000 3.502) 10.117 9.239 ( 9.491 0.000 3.502) 10.117 9.796 ( -9.959 0.000 2.623) 10.299 9.796 ( 9.959 0.000 2.623) 10.299 10.258 ( -2.813 0.000 -5.172) 5.887 10.258 ( 2.813 0.000 -5.172) 5.887 10.375 ( -5.288 0.000 -11.461) 12.622 10.375 ( 5.288 0.000 -11.461) 12.622 10.841 ( -3.135 0.000 -12.354) 12.746 10.841 ( 3.135 0.000 -12.354) 12.746 11.839 ( -10.218 0.000 -14.779) 17.967 11.839 ( 10.218 0.000 -14.779) 17.967 12.012 ( -4.572 0.000 12.248) 13.073 12.012 ( 4.572 0.000 12.248) 13.073 12.441 ( -8.250 0.000 -4.464) 9.380 12.441 ( 8.250 0.000 -4.464) 9.380 12.687 ( -20.474 0.000 7.934) 21.957 12.687 ( 20.474 0.000 7.934) 21.957 12.999 ( -5.458 0.000 -7.265) 9.087 12.999 ( 5.458 0.000 -7.265) 9.087 13.176 ( -13.907 0.000 0.431) 13.913 13.176 ( 13.907 0.000 0.431) 13.913 13.858 ( -8.443 0.000 0.351) 8.451 13.858 ( 8.443 0.000 0.351) 8.451 14.478 ( -19.002 0.000 6.211) 19.991 14.478 ( 19.002 0.000 6.211) 19.991 14.554 ( -6.810 0.000 0.283) 6.816 14.554 ( 6.810 0.000 0.283) 6.816 15.772 ( -7.316 0.000 2.181) 7.635 15.772 ( 7.316 0.000 2.181) 7.635 15.805 ( -4.189 0.000 2.248) 4.754 15.805 ( 4.189 0.000 2.248) 4.754 17.472 ( -4.582 0.000 -23.012) 23.464 17.472 ( 4.582 0.000 -23.012) 23.464 17.519 ( -8.305 0.000 -23.994) 25.390 17.519 ( 8.305 0.000 -23.994) 25.390 21.479 ( -36.518 0.000 20.813) 42.033 21.479 ( 36.518 0.000 20.813) 42.033 22.231 ( -19.124 0.000 25.485) 31.863 22.231 ( 19.124 0.000 25.485) 31.863 23.628 ( -15.591 0.000 2.181) 15.743 23.628 ( 15.591 0.000 2.181) 15.743 24.259 ( -14.154 0.000 -21.237) 25.522 24.259 ( 14.154 0.000 -21.237) 25.522 ======================= Grid point 121 (43/90) ======================= q-point: ( 0.00 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 0.000 17.241 35.970) 39.889 2.087 ( 0.000 19.059 37.598) 42.153 3.114 ( 0.000 -20.056 -1.297) 20.098 3.580 ( 0.000 -12.956 5.654) 14.136 3.837 ( 0.000 28.446 63.459) 69.543 4.130 ( 0.000 19.831 -5.977) 20.712 4.405 ( 0.000 3.931 -5.978) 7.155 4.634 ( 0.000 8.451 -4.401) 9.528 4.889 ( 0.000 -3.600 2.796) 4.558 5.142 ( 0.000 -7.974 24.891) 26.137 5.514 ( 0.000 -12.531 -16.068) 20.376 5.605 ( 0.000 1.876 26.894) 26.959 5.967 ( 0.000 4.442 16.487) 17.075 6.217 ( 0.000 -3.331 6.906) 7.667 6.454 ( 0.000 -13.864 5.473) 14.905 6.476 ( 0.000 13.576 20.786) 24.826 6.872 ( 0.000 -6.487 16.296) 17.540 6.943 ( 0.000 20.489 2.010) 20.588 7.093 ( 0.000 3.987 -21.418) 21.786 7.110 ( 0.000 10.146 2.949) 10.566 7.189 ( 0.000 -35.398 6.451) 35.981 7.607 ( 0.000 -2.244 14.392) 14.566 7.700 ( 0.000 -1.091 27.907) 27.928 8.171 ( 0.000 -12.521 -4.632) 13.351 8.537 ( 0.000 -3.315 1.096) 3.492 8.919 ( 0.000 23.501 -20.814) 31.392 9.075 ( 0.000 -2.663 -10.379) 10.715 9.196 ( 0.000 -16.996 -0.760) 17.013 9.237 ( 0.000 6.179 -10.639) 12.303 9.287 ( 0.000 -3.740 -16.620) 17.035 9.555 ( 0.000 -3.560 -15.342) 15.750 9.716 ( 0.000 21.015 -16.815) 26.915 9.940 ( 0.000 -6.541 0.538) 6.563 9.943 ( 0.000 18.642 -10.497) 21.394 10.336 ( 0.000 -5.650 -9.465) 11.023 10.575 ( 0.000 -0.027 -8.570) 8.570 11.094 ( 0.000 -4.543 -1.476) 4.777 11.169 ( 0.000 -0.529 17.115) 17.123 11.269 ( 0.000 -7.434 10.071) 12.517 11.378 ( 0.000 2.056 4.663) 5.096 11.774 ( 0.000 -1.463 3.023) 3.359 11.866 ( 0.000 2.799 -8.013) 8.487 12.077 ( 0.000 5.841 -6.842) 8.996 12.720 ( 0.000 -7.187 -2.067) 7.478 12.750 ( 0.000 8.303 6.916) 10.807 13.002 ( 0.000 -15.355 -1.761) 15.455 13.258 ( 0.000 0.394 -4.928) 4.944 13.531 ( 0.000 4.510 -0.467) 4.534 13.846 ( 0.000 -10.968 -9.013) 14.196 14.012 ( 0.000 1.622 -7.497) 7.671 14.049 ( 0.000 -7.293 -3.060) 7.909 14.099 ( 0.000 -6.417 -3.127) 7.138 14.274 ( 0.000 -1.144 -15.954) 15.995 14.537 ( 0.000 8.640 6.720) 10.946 15.046 ( 0.000 -10.815 1.364) 10.901 15.222 ( 0.000 10.400 -6.850) 12.453 15.850 ( 0.000 1.785 8.454) 8.640 16.100 ( 0.000 1.105 -6.435) 6.529 16.101 ( 0.000 11.646 -6.728) 13.450 16.288 ( 0.000 0.599 17.421) 17.431 16.626 ( 0.000 4.782 -2.141) 5.240 16.901 ( 0.000 13.623 -7.140) 15.381 17.413 ( 0.000 -6.033 -38.248) 38.721 18.120 ( 0.000 -3.586 -15.732) 16.136 19.626 ( 0.000 7.812 32.314) 33.244 20.696 ( 0.000 -17.354 35.512) 39.525 22.555 ( 0.000 9.807 -1.111) 9.870 23.274 ( 0.000 -5.519 -23.895) 24.524 24.182 ( 0.000 0.336 -0.447) 0.559 24.357 ( 0.000 -4.717 4.715) 6.670 24.845 ( 0.000 14.573 -11.848) 18.782 24.936 ( 0.000 3.951 -15.895) 16.379 ======================= Grid point 122 (44/90) ======================= q-point: ( 0.10 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 3.347 15.521 35.312) 38.718 2.226 ( 12.689 20.632 30.112) 38.645 3.239 ( 12.460 -18.112 -1.049) 22.008 3.581 ( 0.188 -14.703 9.089) 17.287 3.996 ( 7.300 19.997 16.390) 26.867 4.271 ( 10.630 11.356 6.126) 16.718 4.424 ( 12.228 9.560 19.270) 24.744 4.647 ( 1.487 9.280 -1.337) 9.493 4.905 ( 1.605 0.282 5.939) 6.158 5.104 ( -0.619 -6.175 18.519) 19.532 5.562 ( 4.084 0.120 13.671) 14.268 5.763 ( 5.346 -8.986 0.626) 10.474 5.954 ( 2.923 -2.800 7.111) 8.182 6.165 ( 0.422 0.542 9.193) 9.219 6.369 ( -6.810 -12.937 9.092) 17.217 6.552 ( -0.325 10.616 8.514) 13.613 6.780 ( -9.187 11.461 -7.841) 16.651 6.964 ( 5.040 0.676 14.117) 15.005 7.087 ( 2.414 8.022 2.017) 8.617 7.199 ( 3.061 3.071 -0.079) 4.337 7.313 ( 12.666 -27.270 9.041) 31.398 7.538 ( -4.222 -0.263 14.532) 15.135 7.754 ( 2.416 -0.718 22.225) 22.368 8.128 ( -3.503 -8.019 -5.414) 10.290 8.246 ( -21.717 -12.284 3.477) 25.192 8.763 ( -9.981 16.437 -21.163) 28.595 8.908 ( -12.722 5.044 1.708) 13.792 9.064 ( -3.968 -8.234 -6.673) 11.317 9.307 ( -3.795 -1.753 -10.084) 10.916 9.522 ( 18.050 -5.896 -14.054) 23.623 9.697 ( -1.602 20.222 -13.879) 24.579 9.774 ( 6.396 -1.235 -18.442) 19.559 9.906 ( 1.383 9.130 -6.366) 11.215 10.080 ( 10.960 1.386 11.829) 16.186 10.238 ( -8.540 -2.156 -10.167) 13.452 10.650 ( 7.551 2.680 -10.485) 13.196 10.817 ( -6.102 -7.700 7.936) 12.629 11.245 ( 0.606 -10.593 13.939) 17.518 11.421 ( 6.459 1.239 -3.145) 7.290 11.558 ( 14.975 -6.696 -0.418) 16.409 11.756 ( -4.794 2.892 -2.453) 6.112 11.862 ( 1.864 -2.094 -4.531) 5.328 12.083 ( 0.065 7.452 -8.117) 11.019 12.605 ( -12.254 -1.113 4.042) 12.952 12.718 ( 0.244 0.984 0.647) 1.203 13.015 ( 1.509 -9.006 -3.704) 9.854 13.285 ( -0.259 1.590 -9.219) 9.358 13.503 ( -5.817 5.065 2.035) 7.977 13.549 ( -19.143 -1.265 -5.322) 19.909 13.847 ( -3.399 -2.712 -4.300) 6.116 14.041 ( -2.239 -5.292 -8.913) 10.605 14.238 ( -3.299 -0.218 -15.680) 16.025 14.391 ( 9.085 -6.318 3.436) 11.587 14.561 ( 2.894 1.487 6.651) 7.404 14.992 ( -5.708 -6.967 0.750) 9.038 15.138 ( -6.928 7.248 -3.277) 10.548 15.770 ( -7.558 4.685 7.169) 11.422 15.921 ( -15.452 11.055 3.515) 19.322 16.076 ( -2.528 10.895 -6.179) 12.778 16.195 ( -1.408 -1.306 8.646) 8.856 16.770 ( 8.287 -5.686 -4.366) 10.957 17.012 ( 9.178 9.267 -11.876) 17.640 17.479 ( 5.385 -3.583 -35.425) 36.011 18.079 ( -3.981 -3.388 -16.516) 17.324 19.708 ( 8.427 8.000 32.220) 34.251 20.783 ( 8.617 -17.530 35.244) 40.295 22.632 ( 7.597 9.562 -1.011) 12.254 23.312 ( 3.733 -5.069 -23.839) 24.657 24.027 ( -15.427 1.035 1.179) 15.506 24.173 ( -19.025 -0.075 9.775) 21.390 24.639 ( -10.522 12.739 -6.506) 17.757 25.016 ( 0.238 1.577 -18.738) 18.806 ======================= Grid point 123 (45/90) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 16.816 13.554 23.266) 31.746 2.562 ( 21.206 18.340 20.459) 34.708 3.561 ( 14.637 -9.566 3.625) 17.857 3.607 ( 7.527 -18.606 4.795) 20.636 4.108 ( 6.388 13.308 -2.219) 14.928 4.345 ( 1.548 1.734 -7.695) 8.038 4.582 ( -1.460 2.466 2.217) 3.624 4.782 ( -1.849 -0.933 3.565) 4.123 5.077 ( 11.543 10.564 20.156) 25.517 5.264 ( 25.746 4.800 28.538) 38.734 5.664 ( 4.993 0.290 14.700) 15.528 5.721 ( -2.620 4.125 15.457) 16.211 5.932 ( -8.461 -10.385 -9.167) 16.232 6.154 ( -4.131 -8.585 9.380) 13.369 6.359 ( -5.267 6.690 4.098) 9.450 6.463 ( 9.014 -11.192 12.571) 19.093 6.742 ( 0.522 6.094 0.212) 6.120 7.018 ( 0.924 1.658 5.186) 5.522 7.126 ( -2.936 3.800 6.735) 8.271 7.178 ( -1.310 4.594 0.154) 4.779 7.485 ( -1.466 4.356 9.391) 10.455 7.573 ( 8.490 -9.013 11.928) 17.193 7.693 ( -5.169 3.819 14.237) 15.620 7.932 ( -4.369 -10.674 1.588) 11.642 8.187 ( 6.317 -15.847 1.480) 17.124 8.620 ( -4.500 11.587 -17.036) 21.088 8.682 ( -9.579 6.476 8.234) 14.195 8.968 ( -8.904 -4.424 -11.458) 15.170 9.145 ( -3.734 -8.135 4.698) 10.109 9.494 ( -18.024 5.538 2.223) 18.986 9.769 ( 2.161 -2.259 -12.979) 13.350 9.885 ( 2.426 4.625 -5.986) 7.945 9.957 ( 11.107 4.241 -3.777) 12.475 10.122 ( 0.769 3.204 -2.500) 4.136 10.388 ( 12.804 -0.115 -11.216) 17.022 10.704 ( 1.325 6.695 -6.343) 9.317 10.884 ( 5.510 -12.405 2.214) 13.753 11.261 ( -1.633 -8.272 8.244) 11.792 11.581 ( 3.723 0.253 -5.056) 6.284 11.657 ( 0.906 2.207 2.200) 3.245 11.684 ( -3.981 -3.789 -12.046) 13.240 11.948 ( 8.496 -2.262 -2.353) 9.101 12.083 ( 2.897 -3.705 -14.165) 14.925 12.354 ( -11.866 -5.301 1.189) 13.051 12.759 ( 3.687 4.867 2.315) 6.530 13.056 ( 1.522 -4.782 -9.258) 10.530 13.105 ( -17.884 8.382 -3.494) 20.058 13.199 ( -7.040 3.200 -11.092) 13.522 13.562 ( 4.283 5.771 0.969) 7.252 13.769 ( -3.663 0.103 0.109) 3.666 13.969 ( -5.375 -1.985 -6.942) 9.002 14.077 ( -13.748 5.708 -5.604) 15.905 14.375 ( -7.400 -5.161 1.142) 9.094 14.643 ( 2.391 -9.366 5.934) 11.342 14.823 ( -10.478 1.828 1.482) 10.739 15.045 ( -2.116 0.758 2.633) 3.461 15.624 ( -4.774 7.997 6.279) 11.232 15.707 ( -6.775 4.146 4.094) 8.936 16.013 ( -3.550 9.421 -2.613) 10.402 16.161 ( -3.045 -1.649 6.110) 7.023 16.938 ( 9.314 -5.236 -12.924) 16.769 17.180 ( 7.468 1.825 -16.739) 18.420 17.568 ( 2.910 -1.664 -31.059) 31.240 17.974 ( -6.608 -2.823 -18.522) 19.867 19.952 ( 16.467 8.140 31.664) 36.606 21.013 ( 14.464 -17.331 34.389) 41.136 22.828 ( 11.598 8.524 -0.343) 14.398 23.381 ( -1.227 -2.511 -17.055) 17.282 23.615 ( -24.722 3.090 2.985) 25.092 23.741 ( -19.349 2.990 13.455) 23.756 24.460 ( -9.055 8.681 -4.038) 13.178 24.938 ( -7.473 -1.402 -19.326) 20.768 ======================= Grid point 124 (46/90) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 21.835 11.312 11.389) 27.101 3.020 ( 24.692 15.392 13.682) 32.153 3.618 ( 1.482 -11.095 9.276) 14.537 4.003 ( 20.637 -2.122 -6.401) 21.711 4.161 ( -7.148 7.273 -2.256) 10.444 4.387 ( 9.040 -2.016 -0.296) 9.267 4.584 ( -6.076 0.579 -2.002) 6.424 4.621 ( -4.417 1.456 2.061) 5.086 5.160 ( -3.978 -5.462 0.876) 6.814 5.424 ( -9.698 -7.573 -5.887) 13.640 5.701 ( 4.209 5.760 16.360) 17.848 5.796 ( 3.131 -1.956 20.536) 20.865 5.925 ( -4.160 -5.815 24.553) 25.573 6.196 ( 3.252 3.150 13.126) 13.885 6.265 ( 9.604 4.300 13.226) 16.902 6.565 ( -4.626 -5.722 11.849) 13.948 6.856 ( 16.172 -3.478 8.671) 18.677 6.928 ( -5.394 3.736 -1.920) 6.837 7.084 ( 1.961 0.897 3.289) 3.933 7.248 ( 4.217 14.369 4.980) 15.781 7.442 ( 0.548 7.931 4.371) 9.073 7.603 ( -0.879 -4.796 3.068) 5.760 7.707 ( 0.642 -3.524 18.205) 18.554 7.933 ( 4.699 -4.733 4.430) 8.006 8.386 ( 9.996 -0.981 -9.620) 13.908 8.519 ( -7.744 2.790 4.938) 9.599 8.551 ( -2.620 8.781 -2.675) 9.546 8.821 ( -4.022 -5.232 -1.726) 6.821 9.075 ( -16.844 -1.336 12.733) 21.157 9.267 ( 11.432 -12.906 -5.857) 18.209 9.787 ( 0.454 4.414 -11.915) 12.715 9.911 ( -1.540 -0.194 -3.264) 3.615 10.082 ( 2.267 -1.904 -5.914) 6.613 10.191 ( 3.104 2.323 -0.075) 3.878 10.483 ( -3.921 -2.845 -12.390) 13.304 10.718 ( -4.841 3.266 -0.858) 5.902 10.932 ( 1.352 -2.442 1.753) 3.296 11.116 ( -11.049 2.717 -2.056) 11.562 11.575 ( 2.317 6.826 -10.384) 12.641 11.619 ( 1.623 -9.406 -3.012) 10.009 11.739 ( 1.283 -19.172 -2.848) 19.425 12.034 ( 1.000 0.824 -5.988) 6.127 12.212 ( -0.594 -2.013 2.975) 3.641 12.312 ( 15.494 -4.933 -8.876) 18.526 12.798 ( -8.116 5.652 -2.821) 10.285 12.855 ( 1.016 8.147 -0.441) 8.222 13.030 ( -5.737 2.756 -17.331) 18.463 13.112 ( -0.847 0.908 -0.471) 1.328 13.607 ( -5.302 0.400 2.670) 5.950 13.744 ( -3.565 11.148 -1.201) 11.766 13.775 ( -8.855 7.031 1.223) 11.373 13.853 ( -1.868 0.418 -2.248) 2.953 14.209 ( -8.778 -3.483 -1.357) 9.541 14.561 ( -8.312 -2.077 1.133) 8.642 14.693 ( -3.909 -5.673 4.265) 8.103 14.982 ( -5.978 -3.945 5.116) 8.801 15.600 ( 1.250 2.619 4.314) 5.199 15.644 ( 0.539 2.799 2.919) 4.080 15.953 ( -2.359 6.886 0.917) 7.336 16.071 ( -5.966 -0.758 5.407) 8.087 17.127 ( 9.738 -3.780 -19.623) 22.230 17.303 ( 5.223 -0.313 -19.617) 20.303 17.584 ( -1.043 -1.266 -28.041) 28.089 17.830 ( -8.021 -2.140 -21.034) 22.613 20.347 ( 24.003 7.662 30.014) 39.188 21.333 ( 18.167 -15.853 32.631) 40.573 22.939 ( -27.696 1.001 12.142) 30.257 22.985 ( -13.344 2.594 9.246) 16.440 23.255 ( -3.362 11.189 5.967) 13.119 23.707 ( 9.178 -3.919 -17.554) 20.192 24.265 ( -10.925 7.834 -2.910) 13.755 24.748 ( -11.549 -2.596 -19.360) 22.692 ======================= Grid point 125 (47/90) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 21.217 9.673 3.284) 23.548 3.474 ( 20.025 11.867 10.758) 25.643 3.644 ( -0.557 2.075 1.229) 2.475 3.971 ( -5.465 -2.018 3.947) 7.037 4.241 ( -14.305 4.158 3.127) 15.222 4.339 ( 6.326 2.772 -2.554) 7.363 4.572 ( -0.201 -3.240 -3.825) 5.016 4.639 ( -1.881 -2.293 3.430) 4.534 5.012 ( 0.472 -14.378 2.046) 14.530 5.378 ( 6.306 -6.041 3.608) 9.449 5.561 ( -19.877 -3.708 23.415) 30.937 5.803 ( 1.297 6.371 10.581) 12.419 5.915 ( 5.093 -0.985 14.719) 15.606 6.164 ( -13.416 -4.808 1.326) 14.313 6.340 ( 6.420 -5.010 12.521) 14.936 6.505 ( -3.048 -4.473 13.869) 14.888 6.956 ( 6.412 2.813 -1.448) 7.150 7.093 ( 0.169 3.411 -0.714) 3.489 7.264 ( 14.372 3.971 16.026) 21.889 7.299 ( 2.757 14.548 9.520) 17.604 7.506 ( 2.011 6.273 10.443) 12.348 7.597 ( 1.222 -7.288 7.777) 10.728 7.822 ( 12.228 1.029 4.296) 13.002 8.110 ( 13.963 -0.672 5.198) 14.914 8.250 ( -13.088 7.400 -1.123) 15.077 8.379 ( -8.864 6.996 -1.560) 11.400 8.585 ( -4.152 9.232 4.746) 11.180 8.814 ( 11.242 -4.868 -5.089) 13.265 9.032 ( 7.591 -7.453 1.893) 10.805 9.479 ( -0.074 -3.027 -5.919) 6.648 9.755 ( 0.589 8.653 -4.487) 9.765 9.862 ( -2.727 -4.885 -3.086) 6.389 10.079 ( -3.133 -12.365 -3.982) 13.362 10.134 ( -8.299 -11.327 -6.957) 15.670 10.340 ( -4.330 1.403 -0.876) 4.635 10.491 ( -13.586 -0.125 -3.443) 14.016 10.957 ( -1.224 4.861 -7.931) 9.383 10.986 ( -1.685 5.742 -7.729) 9.775 11.574 ( -2.461 -12.049 -11.765) 17.019 11.638 ( -1.395 -17.085 0.531) 17.151 11.871 ( 12.494 0.044 -1.863) 12.632 12.090 ( 4.862 -1.626 1.632) 5.380 12.287 ( 6.038 2.873 -0.268) 6.692 12.555 ( 7.428 -0.575 -1.262) 7.556 12.625 ( -6.014 5.605 -4.013) 9.148 12.915 ( 0.559 4.660 -2.555) 5.343 12.966 ( 1.269 4.884 -4.096) 6.499 13.085 ( -2.343 1.031 -2.500) 3.579 13.321 ( -14.190 9.055 4.225) 17.355 13.540 ( -14.290 4.803 -2.006) 15.209 13.791 ( 5.376 8.623 0.029) 10.162 14.021 ( 7.751 2.895 1.036) 8.338 14.055 ( -1.332 -6.480 0.845) 6.669 14.437 ( -4.474 -5.654 0.632) 7.238 14.603 ( -4.428 -4.236 0.042) 6.128 14.804 ( -11.434 -3.455 2.859) 12.282 15.652 ( 4.120 1.076 2.684) 5.034 15.706 ( 4.393 0.595 4.831) 6.557 15.911 ( -2.489 3.942 2.800) 5.438 15.943 ( -6.518 0.486 3.727) 7.524 17.310 ( 8.942 -2.479 -22.978) 24.781 17.392 ( 4.197 -0.850 -22.237) 22.645 17.539 ( -3.236 -0.903 -25.641) 25.860 17.666 ( -8.603 -1.690 -23.216) 24.816 20.882 ( 30.649 6.469 26.833) 41.246 21.714 ( 20.717 -12.722 30.102) 38.693 22.245 ( -37.159 3.005 16.882) 40.925 22.589 ( -23.520 -2.690 23.423) 33.302 23.448 ( 14.170 10.019 -0.871) 17.376 23.896 ( 4.869 -1.296 -15.728) 16.515 24.066 ( -4.880 5.845 -6.581) 10.063 24.501 ( -13.491 -2.873 -19.519) 23.901 ======================= Grid point 126 (48/90) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -16.871 8.906 -1.841) 19.166 3.435 ( 16.871 8.906 -1.841) 19.166 3.830 ( -16.771 8.009 8.151) 20.294 3.830 ( 16.771 8.009 8.151) 20.294 4.209 ( -16.939 -8.440 3.334) 19.217 4.209 ( 16.939 -8.440 3.334) 19.217 4.576 ( -5.449 2.483 1.733) 6.234 4.576 ( 5.449 2.483 1.733) 6.234 5.213 ( -14.834 -7.638 16.279) 23.311 5.213 ( 14.834 -7.638 16.279) 23.311 5.632 ( -15.787 -5.332 -1.511) 16.731 5.632 ( 15.787 -5.332 -1.511) 16.731 6.002 ( -3.873 -0.914 11.865) 12.514 6.002 ( 3.873 -0.914 11.865) 12.514 6.435 ( -3.940 -3.422 11.534) 12.659 6.435 ( 3.940 -3.422 11.534) 12.659 7.063 ( -3.371 2.622 -0.179) 4.275 7.063 ( 3.371 2.622 -0.179) 4.275 7.359 ( -1.640 8.148 14.851) 17.018 7.359 ( 1.640 8.148 14.851) 17.018 7.579 ( -4.931 0.477 8.077) 9.475 7.579 ( 4.931 0.477 8.077) 9.475 8.012 ( -9.907 2.030 -0.789) 10.144 8.012 ( 9.907 2.030 -0.789) 10.144 8.271 ( -3.021 6.535 -0.037) 7.200 8.271 ( 3.021 6.535 -0.037) 7.200 8.813 ( -17.786 6.979 -0.867) 19.126 8.813 ( 17.786 6.979 -0.867) 19.126 9.218 ( -12.766 -3.618 2.093) 13.433 9.218 ( 12.766 -3.618 2.093) 13.433 9.814 ( -1.183 1.401 -1.912) 2.649 9.814 ( 1.183 1.401 -1.912) 2.649 10.058 ( -5.155 -14.997 -6.224) 17.036 10.058 ( 5.155 -14.997 -6.224) 17.036 10.318 ( -2.857 -3.362 -3.685) 5.749 10.318 ( 2.857 -3.362 -3.685) 5.749 10.948 ( -1.685 6.593 -14.073) 15.632 10.948 ( 1.685 6.593 -14.073) 15.632 11.583 ( -3.064 -15.448 -2.107) 15.889 11.583 ( 3.064 -15.448 -2.107) 15.889 12.087 ( -6.886 2.846 -0.218) 7.454 12.087 ( 6.886 2.846 -0.218) 7.454 12.433 ( -8.596 -2.128 2.044) 9.089 12.433 ( 8.596 -2.128 2.044) 9.089 12.788 ( -11.929 6.417 -3.280) 13.937 12.788 ( 11.929 6.417 -3.280) 13.937 13.025 ( -3.209 3.008 1.980) 4.824 13.025 ( 3.209 3.008 1.980) 4.824 13.282 ( -9.561 8.580 -1.270) 12.909 13.282 ( 9.561 8.580 -1.270) 12.909 13.908 ( -6.398 4.369 -1.169) 7.835 13.908 ( 6.398 4.369 -1.169) 7.835 14.303 ( -11.357 -9.971 5.158) 15.970 14.303 ( 11.357 -9.971 5.158) 15.970 14.606 ( -6.329 -0.276 -2.959) 6.992 14.606 ( 6.329 -0.276 -2.959) 6.992 15.740 ( -3.150 -0.140 4.919) 5.843 15.740 ( 3.150 -0.140 4.919) 5.843 15.866 ( -1.189 2.212 2.258) 3.377 15.866 ( 1.189 2.212 2.258) 3.377 17.452 ( -3.273 -1.298 -24.299) 24.553 17.452 ( 3.273 -1.298 -24.299) 24.553 17.506 ( -6.108 -1.268 -23.764) 24.569 17.506 ( 6.108 -1.268 -23.764) 24.569 21.531 ( -35.458 4.811 22.277) 42.151 21.531 ( 35.458 4.811 22.277) 42.151 22.137 ( -22.592 -8.064 27.140) 36.222 22.137 ( 22.592 -8.064 27.140) 36.222 23.726 ( -13.830 8.261 -2.090) 16.244 23.726 ( 13.830 8.261 -2.090) 16.244 24.234 ( -13.511 -2.540 -19.371) 23.753 24.234 ( 13.511 -2.540 -19.371) 23.753 ======================= Grid point 132 (49/90) ======================= q-point: ( 0.00 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.000 15.905 28.661) 32.778 2.609 ( 0.000 26.716 25.161) 36.699 2.742 ( 0.000 -14.786 13.767) 20.203 3.175 ( 0.000 -23.439 13.931) 27.267 4.408 ( 0.000 7.881 -3.015) 8.438 4.419 ( 0.000 5.993 -6.193) 8.618 4.669 ( 0.000 15.627 5.604) 16.602 4.798 ( 0.000 -4.098 4.703) 6.238 4.891 ( 0.000 29.799 36.713) 47.285 5.054 ( 0.000 4.223 3.719) 5.627 5.221 ( 0.000 -12.499 -13.443) 18.356 5.775 ( 0.000 11.975 24.344) 27.130 5.892 ( 0.000 -42.926 20.906) 47.746 6.066 ( 0.000 -13.861 21.311) 25.422 6.120 ( 0.000 8.405 9.302) 12.536 6.340 ( 0.000 -15.568 7.871) 17.445 6.756 ( 0.000 10.876 17.507) 20.611 6.911 ( 0.000 -3.964 14.350) 14.887 7.196 ( 0.000 4.641 6.610) 8.077 7.196 ( 0.000 3.347 0.004) 3.347 7.381 ( 0.000 10.288 1.758) 10.437 7.545 ( 0.000 -4.799 6.185) 7.829 7.710 ( 0.000 3.219 23.778) 23.995 7.871 ( 0.000 -11.986 11.229) 16.424 8.537 ( 0.000 4.075 -2.170) 4.617 8.754 ( 0.000 -16.634 1.738) 16.724 9.072 ( 0.000 3.067 -12.771) 13.135 9.181 ( 0.000 -6.188 -15.361) 16.561 9.379 ( 0.000 8.112 -20.920) 22.437 9.459 ( 0.000 21.774 -24.902) 33.079 9.521 ( 0.000 -3.986 -25.474) 25.784 9.813 ( 0.000 -8.098 -13.539) 15.776 10.056 ( 0.000 11.343 -18.097) 21.358 10.239 ( 0.000 -5.758 -12.811) 14.045 10.444 ( 0.000 21.449 -4.835) 21.988 10.533 ( 0.000 2.350 6.080) 6.519 10.910 ( 0.000 -15.584 19.900) 25.276 10.956 ( 0.000 -11.101 -2.067) 11.291 11.251 ( 0.000 2.328 -1.265) 2.650 11.311 ( 0.000 -3.882 -7.105) 8.096 11.843 ( 0.000 5.862 -2.109) 6.230 11.928 ( 0.000 -0.132 -0.989) 0.998 12.249 ( 0.000 9.288 -6.607) 11.398 12.480 ( 0.000 -11.814 -4.067) 12.495 12.802 ( 0.000 -1.547 -1.201) 1.958 12.856 ( 0.000 -2.010 1.278) 2.382 13.362 ( 0.000 10.141 4.850) 11.241 13.608 ( 0.000 -10.381 -2.002) 10.572 13.671 ( 0.000 7.069 3.976) 8.111 13.855 ( 0.000 -9.136 3.054) 9.633 13.974 ( 0.000 -3.018 -10.121) 10.561 13.987 ( 0.000 -2.851 -6.998) 7.556 14.326 ( 0.000 4.394 -9.131) 10.133 14.454 ( 0.000 -7.667 1.782) 7.872 15.163 ( 0.000 11.159 -1.300) 11.234 15.325 ( 0.000 -2.235 0.764) 2.362 15.962 ( 0.000 6.329 5.062) 8.105 16.062 ( 0.000 -3.200 -0.814) 3.302 16.328 ( 0.000 7.468 5.690) 9.389 16.436 ( 0.000 16.002 -17.148) 23.454 16.511 ( 0.000 -8.551 4.431) 9.631 16.845 ( 0.000 -18.149 -26.027) 31.730 17.631 ( 0.000 19.218 -23.591) 30.428 17.968 ( 0.000 -10.999 -18.388) 21.427 19.879 ( 0.000 15.159 35.249) 38.370 20.268 ( 0.000 -19.918 36.328) 41.429 22.828 ( 0.000 13.594 -9.516) 16.594 23.098 ( 0.000 -10.558 -17.906) 20.787 24.206 ( 0.000 2.016 1.202) 2.347 24.269 ( 0.000 -3.564 3.864) 5.257 25.028 ( 0.000 3.491 -13.393) 13.841 25.042 ( 0.000 3.318 -12.771) 13.195 ======================= Grid point 133 (50/90) ======================= q-point: ( 0.10 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 4.408 20.540 23.455) 31.487 2.697 ( 9.844 21.316 24.716) 34.090 2.865 ( 12.098 -16.631 12.637) 24.138 3.173 ( 1.102 -21.389 17.350) 27.563 4.391 ( -0.196 10.557 -2.382) 10.824 4.424 ( -0.343 4.835 -6.850) 8.392 4.653 ( 0.295 6.954 5.951) 9.158 4.734 ( -1.275 -2.232 5.374) 5.957 5.030 ( 5.089 4.737 7.107) 9.942 5.177 ( 11.315 9.915 7.325) 16.733 5.414 ( 19.947 5.127 2.334) 20.727 5.787 ( 1.389 10.260 23.123) 25.336 5.989 ( -7.246 -1.533 12.906) 14.880 6.016 ( 4.372 -21.983 18.409) 29.004 6.108 ( -1.118 -0.943 13.380) 13.460 6.400 ( 12.613 -31.228 15.582) 37.109 6.798 ( -0.176 8.884 9.922) 13.320 6.918 ( 0.651 -2.673 10.260) 10.622 7.110 ( -5.298 7.909 1.271) 9.604 7.219 ( 0.031 -0.121 8.049) 8.050 7.397 ( 1.356 8.052 4.503) 9.325 7.521 ( -1.059 -2.653 8.832) 9.283 7.721 ( 0.795 -0.227 17.011) 17.031 7.839 ( -3.861 -11.217 9.237) 15.035 8.306 ( -13.470 12.732 0.295) 18.537 8.665 ( -7.219 -17.575 -4.150) 19.448 9.049 ( -8.689 6.627 5.223) 12.111 9.161 ( -3.479 1.981 -6.105) 7.301 9.267 ( -6.894 2.609 -26.265) 27.280 9.359 ( 3.641 -5.605 -21.335) 22.357 9.781 ( 8.023 6.842 -17.550) 20.473 9.928 ( -4.537 -0.600 -10.078) 11.069 10.069 ( 7.287 7.463 -11.487) 15.516 10.220 ( 0.252 -1.388 -6.503) 6.654 10.376 ( -2.775 14.328 1.721) 14.696 10.533 ( 1.665 -4.064 -5.507) 7.044 10.839 ( -1.331 0.034 1.811) 2.248 10.949 ( 1.010 -12.655 8.660) 15.367 11.391 ( 9.059 -3.448 -7.803) 12.444 11.402 ( 10.055 -2.683 -12.435) 16.215 11.819 ( -1.775 3.054 -4.424) 5.661 11.869 ( -4.263 -0.309 -3.044) 5.247 12.243 ( -3.373 7.663 -5.931) 10.260 12.438 ( -7.073 -9.832 -3.063) 12.493 12.795 ( 1.133 3.428 1.018) 3.751 12.881 ( 2.341 -4.333 -2.249) 5.414 13.355 ( -2.703 4.465 -3.471) 6.268 13.458 ( -12.835 -4.946 -3.930) 14.306 13.679 ( 2.215 9.329 5.957) 11.288 13.837 ( 2.246 -2.850 2.708) 4.528 13.932 ( -1.925 1.448 -6.565) 6.993 14.124 ( 4.712 -11.239 -0.662) 12.205 14.337 ( 0.846 2.782 -6.058) 6.720 14.444 ( -0.840 -6.971 0.509) 7.040 15.085 ( -7.852 8.230 -1.494) 11.473 15.206 ( -10.666 -1.746 0.215) 10.810 15.899 ( -5.754 7.092 4.368) 10.123 16.019 ( -5.918 -2.632 0.031) 6.477 16.230 ( -7.613 5.385 9.405) 13.244 16.286 ( -7.405 4.714 -4.952) 10.079 16.683 ( 10.620 2.233 -13.145) 17.045 16.921 ( 6.701 -14.348 -25.131) 29.704 17.655 ( 1.759 15.353 -22.817) 27.558 17.941 ( -2.683 -9.780 -18.564) 21.153 19.964 ( 8.622 15.215 34.973) 39.102 20.354 ( 8.584 -19.935 36.118) 42.138 22.894 ( 6.458 12.892 -9.210) 17.109 23.148 ( 4.975 -9.893 -17.611) 20.803 24.066 ( -14.125 2.548 3.190) 14.703 24.131 ( -14.113 -3.032 6.611) 15.877 24.893 ( -9.780 9.055 -10.865) 17.196 25.017 ( -5.012 -2.394 -14.344) 15.382 ======================= Grid point 134 (51/90) ======================= q-point: ( 0.20 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 13.950 21.273 16.258) 30.190 2.981 ( 18.417 16.453 16.021) 29.438 3.135 ( 11.707 -21.710 14.068) 28.395 3.320 ( 17.473 -12.608 16.000) 26.838 4.405 ( 2.047 10.399 -2.458) 10.880 4.442 ( 1.285 4.718 -6.600) 8.215 4.654 ( -0.689 4.800 2.062) 5.269 4.735 ( -0.770 -3.081 0.657) 3.243 5.107 ( 0.517 -0.028 -1.759) 1.833 5.289 ( -2.033 -13.510 -11.268) 17.709 5.737 ( -0.635 3.500 15.592) 15.993 5.798 ( 0.273 3.217 19.187) 19.456 5.907 ( 1.556 10.010 17.419) 20.150 6.112 ( 14.769 14.814 19.568) 28.644 6.150 ( 9.422 -12.684 14.774) 21.632 6.555 ( -6.546 -4.937 4.528) 9.366 6.808 ( 4.057 3.641 11.300) 12.546 7.039 ( 12.786 -13.286 8.438) 20.278 7.054 ( -1.033 2.112 0.866) 2.505 7.145 ( -2.042 -8.379 7.564) 11.472 7.455 ( 4.682 7.048 10.651) 13.603 7.556 ( 4.323 -2.306 10.318) 11.422 7.693 ( -5.010 -2.311 9.473) 10.962 7.739 ( -2.928 -2.296 10.008) 10.677 8.212 ( 0.999 14.666 5.810) 15.806 8.574 ( -1.539 -14.893 -10.093) 18.057 8.811 ( -11.964 5.793 10.837) 17.151 8.954 ( -14.701 -5.953 19.144) 24.861 9.142 ( -4.398 13.478 -23.790) 27.694 9.436 ( -9.843 -10.922 -11.486) 18.658 9.687 ( -0.756 2.348 -7.891) 8.268 9.817 ( -3.283 -7.266 -4.066) 8.950 10.184 ( 2.995 10.459 -10.097) 14.843 10.281 ( 0.430 6.030 -5.220) 7.987 10.442 ( 5.939 3.980 -5.606) 9.085 10.597 ( 5.540 -9.423 1.440) 11.026 10.880 ( 4.879 5.120 -4.859) 8.581 11.041 ( 6.707 -9.986 4.007) 12.679 11.539 ( 2.119 -0.770 -12.306) 12.511 11.582 ( 2.291 -3.533 -14.369) 14.974 11.776 ( -0.386 5.759 -7.304) 9.310 11.883 ( 7.787 -3.694 -9.982) 13.188 12.100 ( -6.620 3.867 -5.974) 9.719 12.217 ( -11.929 -6.431 -3.268) 13.940 12.837 ( 2.190 2.815 -0.094) 3.568 12.928 ( 1.174 -5.767 -7.007) 9.151 13.220 ( -9.927 2.850 -4.929) 11.444 13.249 ( -6.880 0.507 -7.716) 10.350 13.730 ( 0.303 7.497 3.941) 8.475 13.863 ( -4.202 -1.699 -3.398) 5.665 13.922 ( 4.822 8.045 8.625) 12.742 14.131 ( -3.298 -5.024 5.741) 8.311 14.316 ( -3.563 1.795 -3.962) 5.623 14.437 ( 0.008 -8.384 -0.655) 8.409 14.865 ( -13.500 4.261 -1.411) 14.227 14.995 ( -9.927 -5.497 -0.741) 11.371 15.775 ( -6.115 6.501 2.872) 9.376 15.841 ( -9.318 3.018 0.984) 9.844 16.124 ( -4.193 0.746 9.095) 10.043 16.157 ( -5.952 1.101 2.616) 6.594 16.895 ( 10.906 3.283 -21.037) 23.922 17.069 ( 7.840 -10.074 -25.536) 28.549 17.671 ( -0.491 9.441 -22.093) 24.031 17.866 ( -4.904 -7.255 -19.385) 21.271 20.207 ( 16.128 15.027 34.114) 40.617 20.590 ( 15.380 -19.569 35.360) 43.242 23.055 ( 8.759 10.965 -7.251) 15.796 23.265 ( 4.628 -7.789 -13.902) 16.594 23.688 ( -22.159 3.475 5.214) 23.028 23.753 ( -22.283 -1.849 11.154) 24.987 24.689 ( -10.836 10.457 -9.500) 17.805 24.867 ( -9.765 -5.575 -14.765) 18.559 ======================= Grid point 135 (52/90) ======================= q-point: ( 0.30 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 17.784 17.046 11.011) 26.983 3.319 ( 10.808 -15.055 9.361) 20.763 3.408 ( 22.432 17.577 15.483) 32.433 3.778 ( 25.983 -15.395 7.617) 31.148 4.371 ( -9.302 11.191 -8.303) 16.754 4.488 ( 3.967 4.465 -2.983) 6.676 4.608 ( -7.196 1.930 -3.275) 8.138 4.663 ( -3.775 2.078 -0.239) 4.316 4.962 ( -15.945 -7.812 -8.582) 19.721 5.101 ( -7.356 -16.256 2.806) 18.062 5.784 ( 8.513 4.959 15.500) 18.366 5.880 ( 3.801 -2.546 19.752) 20.275 5.955 ( 2.161 9.542 16.442) 19.133 6.132 ( -6.600 -4.661 16.104) 18.017 6.343 ( -5.909 -3.156 9.592) 11.700 6.386 ( -8.463 -3.463 9.462) 13.159 7.004 ( 12.023 11.061 8.583) 18.454 7.022 ( 4.571 4.187 1.483) 6.374 7.131 ( 12.211 6.193 7.678) 15.698 7.408 ( 7.481 -8.122 3.163) 11.487 7.539 ( 2.807 6.935 15.419) 17.139 7.590 ( 1.373 3.376 15.245) 15.674 7.701 ( 0.600 -0.976 7.852) 7.935 7.773 ( 15.357 -11.692 6.270) 20.294 8.246 ( 3.035 4.603 4.080) 6.859 8.480 ( -10.025 -8.784 5.272) 14.334 8.709 ( 2.050 4.216 4.122) 6.243 8.829 ( 3.120 -6.808 7.018) 10.264 9.077 ( -0.091 8.608 -13.653) 16.140 9.173 ( -10.184 2.637 -8.491) 13.519 9.669 ( -3.261 -4.018 -7.856) 9.407 9.821 ( -0.413 -11.935 -3.444) 12.428 10.177 ( -8.255 3.927 -8.237) 12.305 10.196 ( -3.581 1.838 -2.976) 5.005 10.520 ( 0.124 6.127 -2.753) 6.718 10.678 ( -0.890 -6.718 3.478) 7.617 10.979 ( 3.245 6.994 -2.075) 7.984 11.133 ( 1.782 -4.000 -2.170) 4.887 11.387 ( -13.566 -4.485 -11.986) 18.650 11.455 ( -7.792 -7.368 -10.275) 14.852 11.813 ( 4.747 10.228 -8.700) 14.242 11.986 ( 0.842 -4.988 -6.874) 8.535 12.190 ( 9.126 -0.229 -5.805) 10.819 12.218 ( 13.864 -3.139 -6.507) 15.634 12.839 ( -4.382 1.668 -4.208) 6.300 12.906 ( -0.214 -3.017 -6.729) 7.378 13.098 ( -3.531 3.663 -4.326) 6.678 13.143 ( -2.564 0.034 -0.374) 2.592 13.648 ( -7.412 4.856 1.971) 9.078 13.783 ( -4.127 -5.643 -2.249) 7.344 13.969 ( -4.218 8.578 7.964) 12.442 14.037 ( -2.618 6.230 7.758) 10.289 14.236 ( -3.624 6.971 -3.717) 8.692 14.422 ( -1.714 -6.696 -2.740) 7.435 14.618 ( -10.820 0.578 -1.291) 10.912 14.812 ( -9.046 -11.411 -2.610) 14.794 15.689 ( -1.986 4.593 3.080) 5.876 15.725 ( -2.390 2.572 1.961) 4.021 16.037 ( -4.802 -0.108 8.041) 9.366 16.051 ( -5.194 -0.053 6.394) 8.238 17.101 ( 10.160 2.381 -24.681) 26.797 17.214 ( 6.967 -6.543 -25.960) 27.663 17.633 ( -3.229 5.240 -22.422) 23.251 17.753 ( -6.552 -4.867 -21.038) 22.565 20.587 ( 22.698 14.061 32.418) 41.998 20.944 ( 20.729 -18.162 33.754) 43.576 22.992 ( -28.844 2.886 13.740) 32.080 23.028 ( -21.862 0.239 13.006) 25.439 23.460 ( 4.499 7.739 -4.590) 10.060 23.603 ( 9.095 -5.533 -14.223) 17.766 24.469 ( -11.850 9.724 -8.845) 17.698 24.651 ( -12.192 -6.520 -14.985) 20.389 ======================= Grid point 136 (53/90) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( 17.705 11.777 6.545) 22.249 3.537 ( 12.986 -8.830 10.184) 18.717 3.851 ( 20.400 18.275 7.433) 28.379 4.062 ( -17.467 9.979 -3.981) 20.507 4.215 ( 6.298 -10.819 -1.029) 12.560 4.348 ( -10.185 -5.976 -1.294) 11.879 4.495 ( -10.490 -3.141 -0.617) 10.967 4.550 ( 0.645 -1.603 0.804) 1.906 4.870 ( 8.349 4.942 5.224) 11.019 5.107 ( 7.113 -14.115 6.270) 17.004 5.609 ( -24.578 6.106 17.974) 31.055 5.799 ( -19.026 -9.221 8.664) 22.849 5.997 ( 7.856 8.126 14.512) 18.394 6.097 ( 2.536 2.037 12.111) 12.540 6.233 ( 1.643 -4.385 16.006) 16.677 6.331 ( -0.840 -9.589 15.202) 17.993 7.093 ( 5.785 7.281 2.200) 9.556 7.168 ( 3.924 1.797 5.056) 6.647 7.342 ( 1.599 0.878 6.579) 6.827 7.375 ( -3.852 -4.129 10.773) 12.164 7.622 ( 6.466 8.988 10.540) 15.286 7.709 ( 4.529 7.628 5.317) 10.343 7.873 ( 13.577 3.622 12.402) 18.742 8.035 ( 5.110 -9.823 5.041) 12.167 8.271 ( 3.526 6.279 1.297) 7.317 8.498 ( 15.122 -10.811 -6.996) 19.862 8.762 ( -3.849 13.599 -9.399) 16.973 8.875 ( 8.283 9.936 2.333) 13.145 9.049 ( -3.593 6.398 -8.435) 11.180 9.284 ( 15.346 -12.450 0.612) 19.771 9.608 ( -2.969 -11.112 -6.613) 13.267 9.705 ( -11.354 -14.796 -1.416) 18.704 10.019 ( -6.624 5.257 -3.469) 9.141 10.047 ( -7.746 3.699 -3.015) 9.098 10.392 ( -11.619 2.158 0.726) 11.840 10.460 ( -18.572 -3.023 -1.871) 18.909 11.041 ( 3.789 4.802 -7.198) 9.446 11.126 ( -1.526 4.815 -7.321) 8.894 11.247 ( -0.713 -9.474 -8.672) 12.863 11.356 ( -3.571 -11.471 -6.519) 13.669 11.983 ( 11.165 6.810 -2.120) 13.248 12.070 ( 7.495 -1.025 -1.558) 7.723 12.306 ( 0.753 0.706 -3.460) 3.611 12.412 ( 1.975 -8.861 -1.855) 9.266 12.775 ( 2.812 8.672 -2.059) 9.346 12.950 ( 4.207 -5.633 -0.267) 7.036 13.055 ( -1.996 5.466 -3.181) 6.632 13.121 ( -1.489 0.199 3.146) 3.486 13.506 ( -5.093 9.304 0.436) 10.615 13.702 ( -5.623 1.317 -0.984) 5.858 13.807 ( -6.182 -0.605 4.333) 7.574 13.990 ( -5.448 -4.436 4.942) 8.590 14.213 ( 1.926 12.136 -3.218) 12.702 14.365 ( -4.085 5.642 -5.767) 9.043 14.484 ( -2.347 -7.401 -2.988) 8.320 14.641 ( -8.273 -11.173 -5.474) 14.941 15.703 ( 3.047 3.151 3.985) 5.924 15.737 ( 3.083 1.055 4.422) 5.493 15.932 ( -5.844 -0.455 6.542) 8.784 15.951 ( -5.094 -0.694 6.511) 8.296 17.288 ( 9.027 0.879 -25.566) 27.127 17.340 ( 5.945 -3.225 -25.730) 26.604 17.553 ( -4.789 2.205 -23.453) 24.038 17.614 ( -7.601 -2.919 -23.070) 24.465 21.087 ( 28.450 12.109 29.558) 42.775 21.393 ( 25.143 -15.335 31.222) 42.920 22.348 ( -34.444 6.190 20.497) 40.557 22.490 ( -29.801 -6.159 23.474) 38.432 23.676 ( 13.588 9.706 -8.473) 18.725 23.838 ( 13.317 -4.867 -16.320) 21.619 24.227 ( -12.813 8.420 -8.502) 17.531 24.398 ( -13.581 -6.627 -15.266) 21.481 ======================= Grid point 137 (54/90) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( -17.554 10.518 -0.350) 20.466 3.649 ( 17.554 10.518 -0.350) 20.466 3.882 ( -18.823 -9.129 5.670) 21.675 3.882 ( 18.823 -9.129 5.670) 21.675 4.219 ( -14.432 14.132 4.990) 20.806 4.219 ( 14.432 14.132 4.990) 20.806 4.520 ( -4.717 -9.437 0.662) 10.571 4.520 ( 4.717 -9.437 0.662) 10.571 5.157 ( -19.836 4.427 13.238) 24.255 5.157 ( 19.836 4.427 13.238) 24.255 5.378 ( -19.854 -13.892 5.307) 24.806 5.378 ( 19.854 -13.892 5.307) 24.806 6.104 ( -2.401 8.205 14.145) 16.528 6.104 ( 2.401 8.205 14.145) 16.528 6.297 ( -2.892 -8.549 15.445) 17.888 6.297 ( 2.892 -8.549 15.445) 17.888 7.179 ( -2.431 6.827 4.215) 8.384 7.179 ( 2.431 6.827 4.215) 8.384 7.334 ( -0.811 -6.771 9.949) 12.062 7.334 ( 0.811 -6.771 9.949) 12.062 7.755 ( -3.678 12.160 8.645) 15.367 7.755 ( 3.678 12.160 8.645) 15.367 7.973 ( -3.213 -6.426 5.866) 9.275 7.973 ( 3.213 -6.426 5.866) 9.275 8.532 ( -13.251 16.264 -13.210) 24.791 8.532 ( 13.251 16.264 -13.210) 24.791 8.887 ( -12.509 -11.494 -8.635) 19.056 8.887 ( 12.509 -11.494 -8.635) 19.056 9.190 ( -20.061 13.117 2.371) 24.086 9.190 ( 20.061 13.117 2.371) 24.086 9.604 ( -2.726 -19.820 -1.916) 20.098 9.604 ( 2.726 -19.820 -1.916) 20.098 9.998 ( -3.839 8.759 0.426) 9.573 9.998 ( 3.839 8.759 0.426) 9.573 10.201 ( -1.501 -7.977 -1.499) 8.254 10.201 ( 1.501 -7.977 -1.499) 8.254 11.093 ( -1.776 7.278 -11.612) 13.819 11.093 ( 1.776 7.278 -11.612) 13.819 11.288 ( -3.375 -11.075 -5.197) 12.691 11.288 ( 3.375 -11.075 -5.197) 12.691 12.164 ( -4.468 5.236 0.056) 6.883 12.164 ( 4.468 5.236 0.056) 6.883 12.315 ( -6.465 -7.681 1.395) 10.136 12.315 ( 6.465 -7.681 1.395) 10.136 12.940 ( -9.827 7.123 -1.271) 12.203 12.940 ( 9.827 7.123 -1.271) 12.203 13.050 ( -5.270 -2.107 3.197) 6.514 13.050 ( 5.270 -2.107 3.197) 6.514 13.533 ( -7.680 14.059 0.106) 16.020 13.533 ( 7.680 14.059 0.106) 16.020 13.848 ( -7.225 -12.625 2.506) 14.761 13.848 ( 7.225 -12.625 2.506) 14.761 14.283 ( -4.248 9.779 -4.037) 11.401 14.283 ( 4.248 9.779 -4.037) 11.401 14.509 ( -4.562 -8.381 -6.940) 11.799 14.509 ( 4.562 -8.381 -6.940) 11.799 15.781 ( -2.774 3.554 6.251) 7.708 15.781 ( 2.774 3.554 6.251) 7.708 15.860 ( -2.373 -2.706 4.720) 5.936 15.860 ( 2.373 -2.706 4.720) 5.936 17.440 ( -0.812 0.498 -25.144) 25.162 17.440 ( 0.812 0.498 -25.144) 25.162 17.469 ( -3.104 -1.864 -24.407) 24.674 17.469 ( 3.104 -1.864 -24.407) 24.674 21.687 ( -32.760 9.333 25.516) 42.560 21.687 ( 32.760 9.334 25.516) 42.560 21.917 ( -28.470 -11.153 27.869) 41.371 21.917 ( 28.470 -11.153 27.869) 41.371 23.940 ( -12.175 10.250 -9.269) 18.417 23.940 ( 12.175 10.250 -9.269) 18.417 24.133 ( -12.408 -6.917 -15.051) 20.696 24.133 ( 12.408 -6.917 -15.051) 20.696 ======================= Grid point 165 (55/90) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.000 0.000 31.469) 31.469 2.751 ( 0.000 0.000 41.842) 41.842 3.442 ( 0.000 0.000 -6.341) 6.341 3.501 ( 0.000 0.000 -5.229) 5.229 3.718 ( 0.000 0.000 -2.976) 2.976 4.172 ( 0.000 0.000 -6.591) 6.591 4.353 ( 0.000 0.000 -6.627) 6.627 4.920 ( 0.000 0.000 -2.681) 2.681 5.160 ( 0.000 0.000 73.707) 73.707 5.365 ( 0.000 0.000 -18.200) 18.200 5.698 ( 0.000 0.000 21.993) 21.993 5.758 ( 0.000 0.000 -44.316) 44.316 6.187 ( 0.000 0.000 18.928) 18.928 6.498 ( 0.000 0.000 1.211) 1.211 6.621 ( 0.000 0.000 2.312) 2.312 6.672 ( 0.000 0.000 1.956) 1.956 6.707 ( 0.000 0.000 45.456) 45.456 6.755 ( 0.000 0.000 6.410) 6.410 7.208 ( 0.000 0.000 17.957) 17.957 7.395 ( 0.000 0.000 22.378) 22.378 7.885 ( 0.000 0.000 7.446) 7.446 7.907 ( 0.000 0.000 13.232) 13.232 8.166 ( 0.000 0.000 -2.869) 2.869 8.238 ( 0.000 0.000 -3.074) 3.074 8.306 ( 0.000 0.000 26.599) 26.599 8.772 ( 0.000 0.000 -19.823) 19.823 8.774 ( 0.000 0.000 -39.441) 39.441 8.850 ( 0.000 0.000 -0.494) 0.494 8.913 ( 0.000 0.000 -14.082) 14.082 8.977 ( 0.000 0.000 -13.306) 13.306 9.262 ( 0.000 0.000 -2.904) 2.904 9.356 ( 0.000 0.000 -18.486) 18.486 9.563 ( 0.000 0.000 -9.482) 9.482 9.764 ( 0.000 0.000 -29.641) 29.641 10.425 ( 0.000 0.000 10.558) 10.558 10.508 ( 0.000 0.000 5.102) 5.102 11.399 ( 0.000 0.000 10.604) 10.604 11.431 ( 0.000 0.000 11.822) 11.822 11.456 ( 0.000 0.000 10.899) 10.899 11.460 ( 0.000 0.000 5.380) 5.380 11.668 ( 0.000 0.000 -13.509) 13.509 11.746 ( 0.000 0.000 -15.405) 15.405 12.176 ( 0.000 0.000 14.816) 14.816 12.646 ( 0.000 0.000 6.212) 6.212 12.818 ( 0.000 0.000 -2.847) 2.847 13.039 ( 0.000 0.000 -9.548) 9.548 13.149 ( 0.000 0.000 -2.649) 2.649 13.480 ( 0.000 0.000 1.269) 1.269 13.721 ( 0.000 0.000 -17.414) 17.414 13.826 ( 0.000 0.000 -6.233) 6.233 13.908 ( 0.000 0.000 -11.505) 11.505 13.913 ( 0.000 0.000 -19.051) 19.051 14.371 ( 0.000 0.000 8.978) 8.978 14.450 ( 0.000 0.000 11.268) 11.268 14.811 ( 0.000 0.000 -9.259) 9.259 15.570 ( 0.000 0.000 -19.568) 19.568 15.606 ( 0.000 0.000 9.489) 9.489 16.016 ( 0.000 0.000 4.717) 4.717 16.034 ( 0.000 0.000 7.131) 7.131 16.415 ( 0.000 0.000 -0.971) 0.971 16.763 ( 0.000 0.000 22.669) 22.669 16.800 ( 0.000 0.000 -2.868) 2.868 16.855 ( 0.000 0.000 -24.480) 24.480 17.820 ( 0.000 0.000 -16.563) 16.563 20.213 ( 0.000 0.000 35.210) 35.210 21.556 ( 0.000 0.000 28.436) 28.436 22.460 ( 0.000 0.000 -1.847) 1.847 22.670 ( 0.000 0.000 -38.139) 38.139 24.168 ( 0.000 0.000 -0.188) 0.188 24.474 ( 0.000 0.000 -1.782) 1.782 24.483 ( 0.000 0.000 -2.061) 2.061 24.554 ( 0.000 0.000 -14.532) 14.532 ======================= Grid point 166 (56/90) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 5.866 0.000 26.912) 27.544 2.733 ( -0.705 0.000 42.388) 42.394 3.426 ( -4.957 0.000 -8.290) 9.659 3.594 ( 14.541 0.000 -3.305) 14.912 3.806 ( 7.294 0.000 -0.638) 7.322 4.193 ( 3.182 0.000 -4.054) 5.153 4.366 ( 0.724 0.000 -6.180) 6.223 4.910 ( -1.363 0.000 -1.651) 2.140 5.466 ( 27.001 0.000 62.518) 68.100 5.555 ( 11.646 0.000 -8.591) 14.472 5.619 ( -13.153 0.000 -42.427) 44.419 5.686 ( 4.649 0.000 13.972) 14.725 6.108 ( -5.477 0.000 18.681) 19.467 6.504 ( -3.195 0.000 5.900) 6.710 6.507 ( -11.861 0.000 26.605) 29.129 6.576 ( 4.398 0.000 3.404) 5.562 6.756 ( 2.954 0.000 -4.344) 5.254 6.840 ( 4.133 0.000 15.990) 16.516 7.230 ( 1.418 0.000 17.428) 17.485 7.476 ( 3.402 0.000 24.005) 24.244 7.792 ( -4.541 0.000 -0.335) 4.553 7.856 ( -5.244 0.000 13.325) 14.320 7.892 ( -28.484 0.000 -10.726) 30.437 8.198 ( -3.924 0.000 16.252) 16.720 8.327 ( 10.225 0.000 8.149) 13.075 8.646 ( -3.523 0.000 -23.599) 23.861 8.787 ( -2.564 0.000 0.297) 2.581 8.921 ( 0.449 0.000 -15.662) 15.668 8.984 ( 5.584 0.000 -20.157) 20.917 9.236 ( 13.295 0.000 5.717) 14.472 9.293 ( -1.008 0.000 -19.030) 19.057 9.410 ( 22.032 0.000 -7.212) 23.182 9.666 ( 6.888 0.000 -8.604) 11.022 9.890 ( 2.025 0.000 -21.143) 21.240 10.375 ( 1.632 0.000 10.514) 10.640 10.506 ( -0.502 0.000 3.929) 3.961 11.312 ( -7.593 0.000 4.081) 8.620 11.400 ( 3.057 0.000 3.053) 4.320 11.548 ( -3.005 0.000 -2.731) 4.061 11.556 ( 3.071 0.000 -0.409) 3.098 11.671 ( -6.325 0.000 -4.461) 7.740 11.693 ( 10.717 0.000 -2.970) 11.121 12.180 ( 0.725 0.000 13.461) 13.480 12.613 ( -3.749 0.000 5.110) 6.337 12.732 ( -6.742 0.000 -1.225) 6.853 12.972 ( -10.052 0.000 -12.286) 15.874 13.072 ( -1.964 0.000 -3.866) 4.337 13.387 ( -26.421 0.000 -9.816) 28.185 13.467 ( -1.135 0.000 1.096) 1.578 13.787 ( -2.273 0.000 -10.174) 10.425 13.880 ( -2.787 0.000 -6.106) 6.712 13.909 ( -1.535 0.000 -15.723) 15.797 14.500 ( 2.164 0.000 4.295) 4.809 14.610 ( 16.257 0.000 5.254) 17.085 14.877 ( 6.949 0.000 -4.743) 8.413 15.302 ( -23.547 0.000 -10.559) 25.806 15.622 ( 1.758 0.000 9.232) 9.398 15.893 ( -8.531 0.000 0.872) 8.575 15.982 ( -4.732 0.000 6.085) 7.708 16.475 ( 0.375 0.000 8.846) 8.853 16.824 ( 2.199 0.000 -2.780) 3.545 16.826 ( 5.851 0.000 3.257) 6.696 16.914 ( 5.624 0.000 -20.004) 20.779 17.760 ( -5.971 0.000 -17.403) 18.399 20.287 ( 7.645 0.000 34.696) 35.528 21.640 ( 8.247 0.000 28.161) 29.344 22.540 ( 7.894 0.000 -1.752) 8.086 22.707 ( 3.731 0.000 -37.694) 37.878 24.039 ( -12.841 0.000 1.809) 12.968 24.274 ( -15.238 0.000 3.321) 15.596 24.441 ( -3.554 0.000 -2.196) 4.178 24.601 ( -0.616 0.000 -16.814) 16.826 ======================= Grid point 167 (57/90) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 3.735 0.000 37.663) 37.848 2.769 ( 13.799 0.000 18.270) 22.895 3.428 ( 7.108 0.000 -12.981) 14.800 3.915 ( 1.934 0.000 3.581) 4.070 3.952 ( 20.345 0.000 1.962) 20.440 4.316 ( 9.164 0.000 -3.188) 9.703 4.350 ( -2.752 0.000 -5.935) 6.542 4.846 ( -5.875 0.000 2.677) 6.456 5.307 ( -17.132 0.000 -37.793) 41.495 5.524 ( -1.910 0.000 19.912) 20.004 5.918 ( 7.503 0.000 -7.130) 10.351 6.031 ( 1.335 0.000 11.975) 12.049 6.178 ( 30.603 0.000 49.517) 58.211 6.390 ( 4.751 0.000 9.534) 10.653 6.476 ( 0.573 0.000 10.820) 10.835 6.690 ( 5.285 0.000 0.983) 5.375 6.771 ( 0.063 0.000 -5.587) 5.587 6.939 ( 8.122 0.000 15.140) 17.181 7.193 ( -9.054 0.000 10.089) 13.556 7.301 ( -24.554 0.000 -10.041) 26.527 7.431 ( -3.535 0.000 12.322) 12.819 7.801 ( -2.632 0.000 12.018) 12.303 7.853 ( 7.973 0.000 3.824) 8.842 8.125 ( -1.742 0.000 18.104) 18.188 8.547 ( -13.342 0.000 2.286) 13.537 8.581 ( 12.400 0.000 11.179) 16.696 8.649 ( -6.986 0.000 -7.113) 9.971 8.887 ( -2.268 0.000 -12.123) 12.334 9.010 ( 4.020 0.000 -2.863) 4.935 9.436 ( 8.190 0.000 2.991) 8.719 9.449 ( 12.926 0.000 -26.265) 29.274 9.724 ( -0.446 0.000 -0.587) 0.737 9.925 ( 3.688 0.000 -16.194) 16.609 9.972 ( 28.071 0.000 4.093) 28.368 10.309 ( -11.540 0.000 10.099) 15.335 10.483 ( -1.461 0.000 -1.355) 1.993 11.122 ( -11.663 0.000 -4.450) 12.483 11.384 ( -8.438 0.000 -10.323) 13.333 11.398 ( -15.300 0.000 -10.395) 18.497 11.661 ( 19.307 0.000 -14.017) 23.859 11.670 ( 2.716 0.000 10.895) 11.229 11.928 ( 10.532 0.000 -0.811) 10.563 12.222 ( 3.916 0.000 12.360) 12.965 12.501 ( -5.782 0.000 3.872) 6.959 12.627 ( -6.451 0.000 -3.668) 7.421 12.749 ( -10.611 0.000 -16.396) 19.530 12.907 ( -17.668 0.000 0.287) 17.670 13.067 ( 0.397 0.000 -4.357) 4.375 13.450 ( -0.074 0.000 -0.596) 0.601 13.715 ( -5.651 0.000 -13.834) 14.944 13.824 ( -1.849 0.000 -0.770) 2.003 13.832 ( -6.710 0.000 -6.837) 9.580 14.460 ( -6.132 0.000 -0.105) 6.133 14.800 ( -15.821 0.000 -0.682) 15.836 14.893 ( 2.520 0.000 2.143) 3.308 15.034 ( 6.792 0.000 -1.636) 6.986 15.680 ( 4.226 0.000 8.565) 9.551 15.723 ( -8.212 0.000 0.081) 8.213 15.883 ( -4.597 0.000 4.628) 6.523 16.406 ( -6.456 0.000 12.603) 14.160 16.877 ( 3.003 0.000 -4.024) 5.021 16.931 ( 4.546 0.000 -12.000) 12.832 17.032 ( 5.068 0.000 -16.524) 17.284 17.604 ( -9.475 0.000 -19.297) 21.498 20.509 ( 15.051 0.000 33.230) 36.479 21.851 ( 12.719 0.000 27.227) 30.051 22.749 ( 12.995 0.000 -1.605) 13.093 22.815 ( 7.181 0.000 -35.254) 35.978 23.686 ( -22.869 0.000 6.511) 23.778 23.949 ( -17.179 0.000 11.486) 20.665 24.333 ( -7.502 0.000 -2.541) 7.921 24.516 ( -7.658 0.000 -20.483) 21.868 ======================= Grid point 168 (58/90) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 9.682 0.000 25.413) 27.195 3.092 ( 18.509 0.000 9.920) 20.999 3.702 ( 19.266 0.000 -13.075) 23.284 3.862 ( -6.265 0.000 5.431) 8.291 4.192 ( -2.577 0.000 5.452) 6.030 4.377 ( 9.835 0.000 -6.967) 12.053 4.525 ( 11.325 0.000 -3.140) 11.753 4.657 ( -13.577 0.000 4.946) 14.450 5.044 ( -5.927 0.000 -25.170) 25.858 5.518 ( -1.518 0.000 17.742) 17.807 5.909 ( -3.207 0.000 2.382) 3.995 6.047 ( 1.101 0.000 -2.744) 2.956 6.352 ( -0.404 0.000 10.500) 10.507 6.470 ( -3.695 0.000 10.771) 11.387 6.693 ( -7.399 0.000 4.732) 8.783 6.745 ( -11.357 0.000 -7.943) 13.859 6.840 ( 20.600 0.000 26.842) 33.836 6.908 ( -0.300 0.000 -5.645) 5.653 7.111 ( -0.990 0.000 9.437) 9.489 7.259 ( 23.129 0.000 13.736) 26.900 7.498 ( 12.988 0.000 11.913) 17.624 7.668 ( -10.696 0.000 7.590) 13.115 8.003 ( 6.666 0.000 7.211) 9.821 8.128 ( 0.412 0.000 18.396) 18.400 8.312 ( -4.651 0.000 9.957) 10.990 8.523 ( -8.420 0.000 -0.620) 8.443 8.700 ( 1.877 0.000 6.983) 7.231 8.966 ( 10.482 0.000 -7.710) 13.012 9.164 ( 6.973 0.000 4.508) 8.304 9.488 ( -3.703 0.000 -1.307) 3.927 9.562 ( -17.045 0.000 12.734) 21.277 9.681 ( 9.490 0.000 -19.154) 21.376 9.965 ( 4.048 0.000 -9.048) 9.912 10.173 ( -0.284 0.000 -14.738) 14.741 10.287 ( 2.483 0.000 13.620) 13.845 10.495 ( 1.466 0.000 -13.048) 13.130 10.929 ( -7.723 0.000 -4.710) 9.046 11.032 ( -20.998 0.000 -5.886) 21.807 11.269 ( -1.905 0.000 -12.318) 12.464 11.745 ( 6.597 0.000 2.142) 6.936 11.854 ( -1.233 0.000 -21.971) 22.006 12.205 ( 15.157 0.000 1.933) 15.279 12.308 ( 3.579 0.000 6.169) 7.132 12.429 ( -6.560 0.000 -0.983) 6.633 12.443 ( -0.377 0.000 10.351) 10.358 12.601 ( -2.781 0.000 -16.606) 16.837 12.820 ( 3.458 0.000 6.471) 7.337 13.066 ( -1.124 0.000 -2.320) 2.578 13.491 ( 4.891 0.000 -4.172) 6.429 13.541 ( -12.337 0.000 -9.529) 15.589 13.659 ( -10.348 0.000 -1.443) 10.448 13.864 ( 7.397 0.000 1.375) 7.524 14.289 ( -10.650 0.000 -0.416) 10.659 14.490 ( -10.291 0.000 -3.316) 10.812 14.932 ( -4.039 0.000 3.945) 5.646 15.074 ( -3.528 0.000 -2.112) 4.112 15.626 ( -0.479 0.000 1.685) 1.752 15.774 ( 4.530 0.000 11.197) 12.078 15.830 ( -0.066 0.000 0.830) 0.833 16.245 ( -9.712 0.000 10.103) 14.015 16.936 ( 2.956 0.000 -7.687) 8.236 17.001 ( 2.620 0.000 -15.141) 15.366 17.091 ( 1.071 0.000 -16.520) 16.554 17.407 ( -10.322 0.000 -20.973) 23.375 20.870 ( 21.765 0.000 30.830) 37.739 22.118 ( 14.322 0.000 25.208) 28.992 22.961 ( 6.212 0.000 -25.204) 25.958 23.016 ( 10.486 0.000 -1.376) 10.575 23.182 ( -24.717 0.000 12.242) 27.583 23.646 ( -12.278 0.000 10.159) 15.936 24.154 ( -10.772 0.000 -2.362) 11.028 24.319 ( -12.096 0.000 -22.827) 25.834 ======================= Grid point 169 (59/90) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 14.421 0.000 15.148) 20.914 3.461 ( 19.006 0.000 4.494) 19.530 3.674 ( -11.330 0.000 5.905) 12.776 4.128 ( -2.922 0.000 2.276) 3.704 4.137 ( 22.470 0.000 -10.349) 24.739 4.278 ( -15.598 0.000 4.556) 16.250 4.452 ( -7.997 0.000 -12.229) 14.612 4.687 ( 2.109 0.000 -2.314) 3.131 5.199 ( 19.173 0.000 -2.046) 19.281 5.452 ( -1.683 0.000 6.086) 6.315 5.771 ( -10.315 0.000 -8.566) 13.408 6.154 ( 7.735 0.000 8.936) 11.818 6.184 ( -25.679 0.000 9.806) 27.488 6.327 ( -1.846 0.000 11.567) 11.714 6.492 ( -6.501 0.000 -2.199) 6.863 6.545 ( -6.534 0.000 6.338) 9.103 7.036 ( 8.067 0.000 6.541) 10.386 7.129 ( 13.425 0.000 11.321) 17.561 7.204 ( 3.726 0.000 7.448) 8.328 7.511 ( 3.288 0.000 8.835) 9.427 7.572 ( 6.648 0.000 -4.365) 7.953 7.907 ( 11.548 0.000 25.917) 28.374 8.050 ( -8.190 0.000 16.072) 18.038 8.186 ( 21.498 0.000 2.128) 21.603 8.299 ( -15.056 0.000 2.747) 15.305 8.330 ( 4.705 0.000 12.858) 13.691 8.812 ( 6.440 0.000 1.986) 6.739 8.889 ( -25.831 0.000 20.832) 33.185 9.193 ( 11.985 0.000 -7.874) 14.340 9.376 ( -3.830 0.000 4.236) 5.711 9.569 ( 12.112 0.000 -4.414) 12.892 9.806 ( 2.754 0.000 -11.972) 12.285 10.069 ( 4.803 0.000 -8.689) 9.929 10.171 ( -0.971 0.000 -14.152) 14.185 10.219 ( -9.301 0.000 2.657) 9.673 10.364 ( -14.349 0.000 -3.009) 14.661 10.639 ( -10.452 0.000 -16.588) 19.607 10.805 ( -9.365 0.000 -0.915) 9.410 11.330 ( 7.633 0.000 -15.331) 17.126 11.736 ( -9.343 0.000 -18.665) 20.873 11.949 ( 13.579 0.000 -0.533) 13.590 12.308 ( -0.612 0.000 1.584) 1.698 12.341 ( -1.030 0.000 -10.804) 10.853 12.375 ( -3.832 0.000 12.820) 13.380 12.568 ( 14.361 0.000 10.270) 17.655 12.708 ( 10.409 0.000 -6.394) 12.216 12.917 ( 4.937 0.000 4.871) 6.936 13.010 ( -4.541 0.000 -0.851) 4.620 13.276 ( -12.928 0.000 2.528) 13.172 13.432 ( -12.871 0.000 -1.272) 12.933 13.635 ( 9.288 0.000 -5.220) 10.654 14.057 ( -8.969 0.000 1.461) 9.087 14.143 ( 16.353 0.000 -2.198) 16.500 14.410 ( 1.644 0.000 -4.285) 4.590 14.760 ( -11.836 0.000 1.547) 11.937 14.894 ( -14.438 0.000 -0.876) 14.465 15.694 ( 6.386 0.000 3.551) 7.307 15.833 ( 2.791 0.000 9.473) 9.875 15.876 ( 2.354 0.000 1.013) 2.562 16.043 ( -10.519 0.000 7.132) 12.709 16.994 ( 3.230 0.000 -12.936) 13.333 17.038 ( 1.388 0.000 -15.890) 15.951 17.087 ( -1.015 0.000 -16.527) 16.559 17.217 ( -8.790 0.000 -20.999) 22.764 21.351 ( 27.398 0.000 27.413) 38.757 22.405 ( 15.111 0.000 22.501) 27.104 22.550 ( -32.109 0.000 17.416) 36.528 22.950 ( -8.635 0.000 4.763) 9.862 23.344 ( 15.582 0.000 -0.669) 15.596 23.571 ( 5.739 0.000 -13.646) 14.803 23.918 ( -13.215 0.000 -1.817) 13.339 24.059 ( -14.180 0.000 -24.122) 27.981 ======================= Grid point 170 (60/90) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( -14.549 0.000 8.826) 17.017 3.419 ( 14.549 0.000 8.826) 17.017 3.837 ( -19.761 0.000 3.924) 20.147 3.837 ( 19.761 0.000 3.924) 20.147 4.276 ( -8.383 0.000 -4.957) 9.739 4.276 ( 8.383 0.000 -4.957) 9.739 4.532 ( -16.406 0.000 -4.879) 17.116 4.532 ( 16.406 0.000 -4.879) 17.116 5.553 ( -10.576 0.000 -4.787) 11.609 5.553 ( 10.576 0.000 -4.787) 11.609 5.655 ( -26.273 0.000 6.171) 26.988 5.655 ( 26.273 0.000 6.171) 26.988 6.273 ( -4.087 0.000 10.869) 11.612 6.273 ( 4.087 0.000 10.869) 11.612 6.458 ( -2.152 0.000 3.383) 4.009 6.458 ( 2.152 0.000 3.383) 4.009 7.167 ( -5.130 0.000 7.780) 9.320 7.167 ( 5.130 0.000 7.780) 9.320 7.407 ( -13.019 0.000 9.394) 16.055 7.407 ( 13.019 0.000 9.394) 16.055 7.915 ( -22.731 0.000 -0.829) 22.746 7.915 ( 22.731 0.000 -0.829) 22.746 7.942 ( -0.795 0.000 15.676) 15.696 7.942 ( 0.795 0.000 15.676) 15.696 8.495 ( -13.268 0.000 15.912) 20.718 8.495 ( 13.268 0.000 15.912) 20.718 8.690 ( -20.215 0.000 2.999) 20.436 8.690 ( 20.215 0.000 2.999) 20.436 9.366 ( -2.926 0.000 3.844) 4.831 9.366 ( 2.926 0.000 3.844) 4.831 9.769 ( -6.705 0.000 -7.096) 9.763 9.769 ( 6.705 0.000 -7.096) 9.763 10.106 ( -6.346 0.000 -8.196) 10.366 10.106 ( 6.346 0.000 -8.196) 10.366 10.137 ( -2.428 0.000 -9.962) 10.254 10.137 ( 2.428 0.000 -9.962) 10.254 10.632 ( -6.568 0.000 -5.063) 8.293 10.632 ( 6.568 0.000 -5.063) 8.293 11.526 ( -11.367 0.000 -16.939) 20.400 11.526 ( 11.367 0.000 -16.939) 20.400 12.218 ( -12.183 0.000 6.505) 13.812 12.218 ( 12.183 0.000 6.505) 13.812 12.308 ( -1.254 0.000 -7.030) 7.141 12.308 ( 1.254 0.000 -7.030) 7.141 12.870 ( -12.599 0.000 7.673) 14.751 12.870 ( 12.599 0.000 7.673) 14.751 12.890 ( -7.771 0.000 -2.389) 8.130 12.890 ( 7.771 0.000 -2.389) 8.130 13.201 ( -7.987 0.000 4.422) 9.129 13.201 ( 7.987 0.000 4.422) 9.129 13.838 ( -11.228 0.000 -3.396) 11.731 13.838 ( 11.228 0.000 -3.396) 11.731 14.533 ( -10.115 0.000 -2.060) 10.323 14.533 ( 10.115 0.000 -2.060) 10.323 14.542 ( -20.704 0.000 0.104) 20.704 14.542 ( 20.704 0.000 0.104) 20.704 15.849 ( -9.174 0.000 4.998) 10.447 15.849 ( 9.174 0.000 4.998) 10.447 15.883 ( -1.572 0.000 4.865) 5.112 15.883 ( 1.572 0.000 4.865) 5.112 17.063 ( -1.291 0.000 -16.283) 16.334 17.063 ( 1.291 0.000 -16.283) 16.334 17.076 ( -5.588 0.000 -18.118) 18.960 17.076 ( 5.588 0.000 -18.118) 18.960 21.926 ( -31.220 0.000 22.955) 38.751 21.926 ( 31.220 0.000 22.955) 38.751 22.701 ( -14.912 0.000 18.660) 23.886 22.701 ( 14.912 0.000 18.660) 23.886 23.643 ( -14.891 0.000 -1.209) 14.940 23.643 ( 14.891 0.000 -1.209) 14.940 23.783 ( -13.663 0.000 -23.602) 27.271 23.783 ( 13.663 0.000 -23.602) 27.271 ======================= Grid point 176 (61/90) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 0.000 14.216 29.104) 32.390 2.875 ( 0.000 10.816 38.506) 39.996 3.180 ( 0.000 -5.957 8.666) 10.516 3.694 ( 0.000 -3.887 3.923) 5.523 3.950 ( 0.000 20.002 -11.027) 22.840 4.150 ( 0.000 0.721 -8.257) 8.289 4.480 ( 0.000 8.354 -7.451) 11.194 4.916 ( 0.000 -3.735 -0.926) 3.848 5.096 ( 0.000 -8.447 -22.054) 23.616 5.271 ( 0.000 11.785 64.612) 65.678 5.696 ( 0.000 -3.148 25.530) 25.723 6.133 ( 0.000 20.088 -22.736) 30.339 6.180 ( 0.000 -1.266 24.891) 24.923 6.340 ( 0.000 -7.607 19.963) 21.363 6.560 ( 0.000 -4.210 4.027) 5.826 6.722 ( 0.000 8.068 8.837) 11.966 6.738 ( 0.000 -2.515 0.441) 2.553 6.963 ( 0.000 19.993 -2.786) 20.186 7.304 ( 0.000 -10.596 19.283) 22.002 7.360 ( 0.000 6.831 20.035) 21.167 7.447 ( 0.000 -22.938 16.179) 28.069 7.823 ( 0.000 -8.009 4.163) 9.027 8.152 ( 0.000 0.439 4.580) 4.601 8.265 ( 0.000 -3.319 25.593) 25.808 8.410 ( 0.000 2.874 -8.293) 8.777 8.695 ( 0.000 -6.842 -39.804) 40.388 8.720 ( 0.000 -1.874 -13.492) 13.622 8.807 ( 0.000 2.173 -0.747) 2.298 8.960 ( 0.000 -1.812 -15.075) 15.184 9.052 ( 0.000 7.040 -10.176) 12.374 9.293 ( 0.000 9.845 -20.740) 22.958 9.446 ( 0.000 -10.948 -3.906) 11.624 9.701 ( 0.000 -5.560 -25.994) 26.581 9.726 ( 0.000 23.287 -11.888) 26.146 10.200 ( 0.000 -16.233 2.053) 16.362 10.604 ( 0.000 7.095 12.641) 14.496 11.216 ( 0.000 -9.959 8.757) 13.262 11.384 ( 0.000 -10.576 -6.258) 12.289 11.399 ( 0.000 -1.363 9.308) 9.407 11.615 ( 0.000 9.335 9.617) 13.403 11.713 ( 0.000 11.107 -7.119) 13.192 11.850 ( 0.000 -21.774 11.757) 24.745 11.914 ( 0.000 8.790 -7.047) 11.267 12.670 ( 0.000 -10.418 -1.878) 10.586 12.888 ( 0.000 7.671 6.557) 10.091 13.004 ( 0.000 -11.240 2.580) 11.532 13.073 ( 0.000 6.507 -11.561) 13.267 13.509 ( 0.000 3.038 -1.314) 3.310 13.655 ( 0.000 -3.413 -9.636) 10.222 13.816 ( 0.000 -6.431 -15.219) 16.522 13.839 ( 0.000 0.166 -8.655) 8.656 13.915 ( 0.000 -0.034 -10.712) 10.712 14.310 ( 0.000 -3.537 10.147) 10.746 14.685 ( 0.000 14.785 7.838) 16.734 14.972 ( 0.000 12.128 -13.250) 17.963 15.082 ( 0.000 -18.809 1.503) 18.868 15.956 ( 0.000 8.085 -6.521) 10.387 16.002 ( 0.000 0.446 5.894) 5.910 16.106 ( 0.000 4.042 3.139) 5.117 16.596 ( 0.000 9.979 -5.662) 11.474 16.686 ( 0.000 -6.160 20.243) 21.159 16.708 ( 0.000 -12.243 -23.579) 26.568 16.807 ( 0.000 6.445 -4.821) 8.048 17.772 ( 0.000 -4.839 -17.261) 17.926 20.317 ( 0.000 9.276 35.374) 36.570 21.371 ( 0.000 -15.321 30.341) 33.990 22.494 ( 0.000 3.187 -5.654) 6.490 22.665 ( 0.000 -0.574 -35.186) 35.191 24.178 ( 0.000 1.298 0.669) 1.460 24.412 ( 0.000 -3.105 1.494) 3.445 24.626 ( 0.000 5.816 -13.899) 15.067 24.649 ( 0.000 9.610 -7.724) 12.329 ======================= Grid point 177 (62/90) ======================= q-point: ( 0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 5.459 13.459 27.773) 31.341 2.840 ( -1.995 10.593 35.915) 37.498 3.302 ( 10.864 -3.641 7.473) 13.680 3.755 ( 4.973 -5.698 6.516) 9.983 3.932 ( 0.445 19.357 -9.143) 21.412 4.156 ( 1.169 1.304 -6.554) 6.785 4.510 ( 2.169 8.449 -7.359) 11.413 4.885 ( -1.895 -2.315 3.722) 4.775 5.159 ( 4.585 -15.771 -28.846) 33.194 5.577 ( 6.604 -1.103 41.403) 41.941 5.629 ( 13.867 7.523 38.681) 41.775 6.081 ( -3.961 18.014 -16.803) 24.950 6.136 ( -2.112 2.862 19.335) 19.660 6.288 ( -4.511 -6.427 17.900) 19.546 6.474 ( -5.871 -3.651 7.783) 10.411 6.688 ( 0.435 5.793 -2.222) 6.220 6.788 ( 2.340 -3.223 12.949) 13.548 6.992 ( 0.279 16.135 -5.339) 16.998 7.320 ( -0.761 -0.473 15.807) 15.833 7.455 ( 0.295 -2.488 17.072) 17.255 7.532 ( 13.200 -17.795 12.824) 25.599 7.804 ( -1.410 -3.334 9.769) 10.418 7.934 ( -20.073 6.312 -12.479) 24.464 8.192 ( -6.484 -3.422 17.833) 19.282 8.293 ( -0.771 -3.580 3.819) 5.291 8.485 ( -9.836 -7.986 -12.617) 17.881 8.779 ( -0.197 2.105 -7.224) 7.527 8.936 ( 7.806 -4.416 -14.729) 17.245 9.013 ( 2.655 3.800 -12.005) 12.869 9.232 ( 3.800 0.034 -14.334) 14.829 9.400 ( 20.118 10.290 -9.567) 24.539 9.515 ( 7.714 -2.798 -6.961) 10.760 9.694 ( 4.625 6.150 -13.545) 15.578 9.919 ( 4.810 5.773 -17.116) 18.692 10.349 ( 12.005 -3.989 7.681) 14.799 10.548 ( -1.056 2.462 5.531) 6.146 11.012 ( -12.626 -12.915 7.363) 19.504 11.340 ( -1.485 -4.692 -2.119) 5.358 11.503 ( 0.360 -7.831 -4.853) 9.220 11.593 ( 2.795 2.737 11.543) 12.188 11.753 ( -3.508 1.553 -0.685) 3.897 11.800 ( -2.013 -3.800 0.620) 4.345 11.906 ( 0.241 -1.883 -3.331) 3.834 12.618 ( -7.901 -9.282 -1.158) 12.244 12.812 ( -3.298 6.647 6.853) 10.101 12.936 ( -6.656 -5.900 -4.201) 9.837 13.020 ( -4.251 1.855 -13.295) 14.081 13.377 ( -19.856 -2.414 -10.916) 22.787 13.537 ( 0.579 7.633 1.606) 7.822 13.781 ( -1.524 2.397 -3.411) 4.439 13.868 ( 1.994 -2.384 -9.467) 9.964 13.944 ( 1.476 2.594 -10.568) 10.981 14.472 ( 6.975 -5.113 4.736) 9.860 14.690 ( 1.442 6.486 4.907) 8.260 14.954 ( -3.836 0.060 -5.929) 7.061 15.052 ( -0.643 -4.971 -0.819) 5.079 15.884 ( -8.071 11.819 -1.495) 14.390 15.908 ( -7.363 1.931 2.708) 8.079 16.024 ( -5.053 3.273 1.238) 6.146 16.484 ( -5.335 -0.907 11.489) 12.700 16.734 ( 3.732 -7.533 -6.523) 10.640 16.771 ( 1.987 -7.832 -9.841) 12.733 16.935 ( 9.769 8.161 -9.809) 16.070 17.717 ( -5.421 -4.264 -17.931) 19.212 20.393 ( 7.755 9.397 34.896) 36.961 21.454 ( 8.236 -15.362 30.188) 34.859 22.573 ( 7.796 3.009 -5.588) 10.052 22.707 ( 4.304 -0.069 -34.807) 35.072 24.062 ( -11.861 2.159 2.684) 12.351 24.300 ( -11.664 -0.702 3.497) 12.197 24.513 ( -6.734 7.161 -5.746) 11.386 24.659 ( -2.811 4.501 -15.461) 16.346 ======================= Grid point 178 (63/90) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 4.150 7.307 33.471) 34.509 2.959 ( 13.878 15.499 18.310) 27.714 3.536 ( 12.416 4.746 -1.451) 13.371 3.832 ( 1.989 -7.150 10.731) 13.047 4.053 ( 12.271 10.010 -2.611) 16.050 4.201 ( 2.861 0.064 -5.430) 6.138 4.528 ( -0.345 7.020 -5.425) 8.879 4.829 ( -4.882 -1.422 3.924) 6.423 5.109 ( -11.036 -13.765 -32.474) 36.957 5.499 ( 0.590 -4.272 19.294) 19.770 6.046 ( 0.364 8.315 0.507) 8.338 6.086 ( -2.289 1.418 10.589) 10.926 6.235 ( 5.784 -4.470 11.710) 13.804 6.245 ( 20.759 7.143 35.459) 41.705 6.446 ( 7.499 -1.521 18.197) 19.740 6.741 ( 4.228 5.104 -4.276) 7.888 6.811 ( 0.841 -8.004 13.704) 15.892 6.950 ( -3.188 8.071 -4.515) 9.782 7.246 ( -16.862 -1.322 -4.085) 17.400 7.300 ( -1.773 -2.401 8.088) 8.621 7.600 ( -8.458 20.040 -5.093) 22.340 7.817 ( 3.218 -0.098 16.741) 17.047 7.830 ( 10.821 -2.200 6.867) 13.003 8.139 ( 0.292 0.086 18.588) 18.590 8.254 ( -5.405 -18.716 7.398) 20.838 8.503 ( 11.135 -5.224 -0.618) 12.315 8.695 ( -7.602 1.666 -3.233) 8.428 8.865 ( -5.607 2.630 -0.224) 6.197 9.153 ( 0.273 4.392 -3.938) 5.905 9.361 ( 12.331 -3.373 -22.757) 26.103 9.528 ( 2.193 2.758 -2.646) 4.407 9.786 ( 1.436 2.191 -5.877) 6.435 9.857 ( 6.508 0.218 -7.753) 10.125 10.069 ( 20.308 5.658 -1.485) 21.134 10.294 ( -10.800 0.038 6.865) 12.798 10.631 ( -0.186 10.932 0.219) 10.936 10.894 ( 1.171 -14.878 -2.197) 15.085 11.297 ( -9.855 -4.722 -14.289) 17.989 11.481 ( -3.284 -2.024 -3.972) 5.537 11.618 ( 0.182 -7.190 15.938) 17.485 11.732 ( 6.890 1.831 -13.533) 15.296 11.742 ( 0.567 -7.831 1.394) 7.974 11.936 ( 2.328 -9.658 -3.064) 10.396 12.402 ( -9.927 -9.203 3.003) 13.866 12.762 ( -8.612 1.083 -15.219) 17.520 12.819 ( 0.543 6.208 0.092) 6.233 12.887 ( -11.006 -2.520 -9.831) 14.971 13.099 ( -3.994 2.193 -5.031) 6.787 13.558 ( 0.483 9.198 -0.193) 9.213 13.751 ( -1.480 5.753 -3.006) 6.658 13.875 ( -0.889 3.757 -2.095) 4.393 13.937 ( -3.214 7.730 -5.472) 10.002 14.399 ( -10.945 -2.899 1.002) 11.367 14.718 ( -5.466 -11.593 -1.858) 12.951 14.845 ( -2.114 0.847 2.962) 3.736 15.075 ( 0.542 -0.326 0.659) 0.913 15.745 ( -5.955 4.959 0.676) 7.779 15.769 ( -3.799 4.537 6.139) 8.527 15.959 ( -1.867 6.426 -0.426) 6.705 16.380 ( -6.097 -2.268 12.361) 13.969 16.792 ( 2.325 -6.675 -2.600) 7.532 16.836 ( 4.455 -8.640 -17.921) 20.388 17.078 ( 4.500 5.231 -14.500) 16.058 17.575 ( -8.764 -2.969 -19.494) 21.579 20.616 ( 15.048 9.519 33.583) 38.011 21.671 ( 13.456 -14.900 29.602) 35.768 22.777 ( 12.192 2.521 -6.095) 13.862 22.832 ( 8.566 1.214 -32.152) 33.295 23.725 ( -22.143 3.592 7.210) 23.563 23.999 ( -17.798 1.613 10.061) 20.508 24.371 ( -8.216 4.252 -4.551) 10.310 24.540 ( -8.957 1.762 -18.865) 20.958 ======================= Grid point 179 (64/90) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 10.227 8.086 22.143) 25.696 3.286 ( 18.624 15.231 11.810) 26.802 3.786 ( 9.286 -1.843 -2.375) 9.761 3.838 ( 2.237 5.149 0.801) 5.671 4.173 ( -1.327 0.865 2.653) 3.090 4.371 ( 11.676 -0.066 -3.760) 12.267 4.545 ( 2.043 1.290 -0.985) 2.609 4.674 ( -10.188 0.757 2.177) 10.445 4.876 ( -5.986 -10.587 -18.018) 21.738 5.557 ( 1.562 -3.400 14.300) 14.782 5.984 ( -4.808 6.351 2.640) 8.392 6.082 ( 0.161 1.832 2.729) 3.291 6.224 ( -0.964 -2.069 11.941) 12.158 6.448 ( -1.116 -2.788 10.354) 10.780 6.590 ( -1.011 -8.138 19.697) 21.336 6.789 ( -3.455 2.873 0.459) 4.517 6.850 ( -3.690 0.129 -2.109) 4.252 7.041 ( 14.482 -5.512 3.835) 15.963 7.048 ( 2.382 9.730 -0.394) 10.025 7.421 ( 15.796 8.348 11.041) 21.003 7.514 ( 1.792 9.175 1.891) 9.538 7.786 ( -4.977 5.780 13.313) 15.343 8.020 ( 6.556 1.245 10.992) 12.859 8.130 ( 0.382 -2.792 17.607) 17.831 8.255 ( 6.167 -4.255 9.970) 12.471 8.552 ( -5.949 1.641 -2.627) 6.707 8.716 ( 2.701 4.755 9.513) 10.973 8.796 ( 2.998 -8.953 -2.884) 9.872 9.134 ( -3.941 -5.167 1.247) 6.616 9.481 ( -9.984 -7.499 12.101) 17.388 9.514 ( 3.129 -1.092 -10.324) 10.842 9.727 ( 1.045 6.164 -10.923) 12.585 9.928 ( 3.544 -3.427 -9.211) 10.447 10.138 ( -4.588 -2.892 -9.968) 11.348 10.403 ( 7.774 7.032 8.645) 13.587 10.589 ( -6.281 8.739 -9.378) 14.275 10.872 ( -8.815 -4.862 -8.961) 13.478 10.989 ( -12.063 -0.503 -8.164) 14.575 11.394 ( -2.819 6.164 -5.106) 8.486 11.647 ( 1.995 -13.603 -6.616) 15.257 11.727 ( 5.764 -6.164 9.117) 12.423 11.961 ( 2.056 -10.448 -1.179) 10.714 12.114 ( 18.357 -4.718 -7.564) 20.407 12.333 ( 2.932 -8.907 5.787) 11.019 12.627 ( -5.292 5.670 -17.755) 19.375 12.675 ( -5.396 3.088 -6.978) 9.346 12.865 ( 1.244 0.814 -0.412) 1.543 13.099 ( 1.672 0.793 -4.006) 4.412 13.522 ( -4.886 6.560 -6.151) 10.235 13.718 ( -5.761 9.599 0.536) 11.208 13.833 ( -3.148 14.581 3.110) 15.238 13.872 ( 2.689 3.816 2.186) 5.155 14.185 ( -9.362 -5.890 -0.975) 11.104 14.527 ( -10.270 -2.242 -5.164) 11.711 14.796 ( -5.817 -8.744 5.014) 11.638 15.016 ( -6.982 -6.421 -0.687) 9.510 15.667 ( -0.461 3.614 2.435) 4.382 15.786 ( 3.249 1.160 9.397) 10.010 15.945 ( 0.341 8.922 -0.738) 8.959 16.235 ( -8.654 -0.847 9.654) 12.993 16.845 ( 3.204 -6.968 -8.258) 11.270 16.916 ( 3.546 -7.165 -17.812) 19.524 17.117 ( -0.165 2.464 -16.535) 16.719 17.389 ( -9.947 -1.843 -20.994) 23.305 20.974 ( 21.475 9.276 31.471) 39.213 21.963 ( 16.239 -13.041 28.226) 35.078 22.979 ( 7.000 2.449 -18.718) 20.133 23.050 ( 9.286 2.039 -7.808) 12.303 23.241 ( -22.677 5.186 9.108) 24.982 23.655 ( -15.718 -0.891 11.373) 19.422 24.187 ( -10.665 3.242 -5.010) 12.221 24.326 ( -12.670 0.419 -21.129) 24.641 ======================= Grid point 180 (65/90) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 12.699 7.478 11.865) 18.920 3.621 ( 9.169 8.560 2.874) 12.869 3.747 ( 0.042 11.122 8.840) 14.207 3.978 ( 4.932 -7.711 -3.917) 9.956 4.282 ( 9.381 3.696 -0.730) 10.109 4.342 ( -14.429 5.914 5.220) 16.444 4.380 ( -5.299 -3.921 -13.257) 14.805 4.669 ( 2.455 -1.484 -0.898) 3.006 5.069 ( 20.837 -6.984 4.651) 22.463 5.516 ( -3.653 -2.683 9.545) 10.567 5.776 ( -13.215 1.963 -7.162) 15.158 6.083 ( -21.789 -4.992 13.936) 26.342 6.180 ( 4.367 2.204 11.333) 12.343 6.259 ( 0.070 0.291 10.111) 10.115 6.623 ( 0.118 3.254 12.370) 12.791 6.705 ( -3.971 9.845 1.504) 10.722 6.918 ( 9.173 -4.102 1.590) 10.173 7.080 ( 2.011 0.516 2.099) 2.952 7.311 ( 13.482 -2.305 -2.931) 13.988 7.507 ( 0.753 9.401 7.247) 11.894 7.640 ( 2.000 -0.030 1.810) 2.697 7.901 ( 1.412 3.086 18.723) 19.028 8.128 ( 13.913 -0.550 14.930) 20.415 8.185 ( -2.639 8.099 7.619) 11.428 8.308 ( 3.371 -1.200 10.502) 11.095 8.483 ( -3.987 5.400 8.203) 10.599 8.741 ( 6.458 -2.107 1.926) 7.061 8.757 ( -13.579 -9.062 8.893) 18.591 9.005 ( 4.245 -10.242 -6.434) 12.819 9.443 ( -1.040 1.683 3.954) 4.421 9.595 ( 7.307 -2.851 -11.589) 13.994 9.773 ( 2.194 0.934 -4.891) 5.442 9.947 ( -12.358 -14.439 -11.432) 22.179 10.015 ( 2.677 -2.543 -3.624) 5.174 10.359 ( -13.258 4.632 -3.111) 14.384 10.369 ( -10.834 -0.676 -4.854) 11.891 10.672 ( -1.371 6.054 -12.426) 13.890 10.877 ( -6.834 6.129 -0.512) 9.194 11.415 ( 4.371 1.168 -6.407) 7.843 11.649 ( -3.867 -5.237 -4.171) 7.732 11.894 ( 11.209 -6.605 5.732) 14.217 12.113 ( 10.336 -5.714 -0.377) 11.816 12.294 ( 3.347 -2.551 -2.210) 4.753 12.459 ( 5.212 1.074 -2.649) 5.944 12.575 ( 0.018 6.393 -8.765) 10.849 12.654 ( 0.784 -7.520 -4.667) 8.885 12.902 ( 4.410 1.147 -5.706) 7.302 13.137 ( 1.587 2.517 0.280) 2.989 13.383 ( -7.927 6.800 -3.270) 10.944 13.506 ( -11.870 11.440 7.883) 18.273 13.824 ( 0.804 13.000 1.801) 13.149 14.027 ( -6.905 -3.743 -2.351) 8.199 14.075 ( 15.578 -2.608 2.042) 15.926 14.392 ( -2.190 -3.344 -5.062) 6.450 14.628 ( -10.230 -9.051 2.058) 13.814 14.807 ( -14.132 -8.102 -1.674) 16.376 15.723 ( 5.575 2.590 4.110) 7.395 15.857 ( 3.734 0.854 9.334) 10.090 15.955 ( 0.013 6.655 1.145) 6.752 16.053 ( -9.576 0.768 6.762) 11.748 16.919 ( 4.388 -5.457 -14.514) 16.115 16.976 ( 2.644 -5.058 -17.680) 18.578 17.088 ( -2.314 -0.116 -17.734) 17.885 17.201 ( -9.053 -1.582 -21.182) 23.090 21.446 ( 26.760 8.475 28.368) 39.908 22.298 ( 17.960 -9.596 25.992) 33.019 22.610 ( -30.952 5.455 18.633) 36.537 22.972 ( -11.372 1.250 8.833) 14.453 23.379 ( 14.773 2.687 -7.537) 16.801 23.522 ( 4.417 -3.361 -12.385) 13.572 23.962 ( -12.042 3.121 -5.872) 13.756 24.059 ( -14.260 -0.145 -22.704) 26.811 ======================= Grid point 181 (66/90) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( -12.850 4.959 5.171) 14.713 3.470 ( 12.850 4.959 5.171) 14.713 3.998 ( -13.346 12.440 5.570) 19.076 3.998 ( 13.346 12.440 5.570) 19.076 4.158 ( -7.031 -8.081 -4.372) 11.569 4.158 ( 7.031 -8.081 -4.372) 11.569 4.592 ( -10.927 3.066 -1.255) 11.418 4.592 ( 10.927 3.066 -1.255) 11.418 5.458 ( -9.307 -5.083 4.385) 11.475 5.458 ( 9.307 -5.083 4.385) 11.475 5.651 ( -10.581 -3.573 4.401) 12.004 5.651 ( 10.581 -3.573 4.401) 12.004 6.256 ( -1.863 2.904 13.112) 13.558 6.256 ( 1.863 2.904 13.112) 13.558 6.637 ( -2.434 9.373 5.583) 11.178 6.637 ( 2.434 9.373 5.583) 11.178 7.075 ( -4.080 -3.017 4.312) 6.659 7.075 ( 4.080 -3.017 4.312) 6.659 7.516 ( -3.744 1.423 -0.232) 4.012 7.516 ( 3.744 1.423 -0.232) 4.012 7.736 ( -10.382 0.436 8.007) 13.118 7.736 ( 10.382 0.436 8.007) 13.118 8.165 ( -7.628 5.854 12.006) 15.382 8.165 ( 7.628 5.854 12.006) 15.382 8.400 ( -4.845 -3.947 12.241) 13.744 8.400 ( 4.845 -3.947 12.241) 13.744 8.785 ( -8.206 6.105 1.468) 10.333 8.785 ( 8.206 6.105 1.468) 10.333 9.211 ( -17.705 -14.169 -6.297) 23.534 9.211 ( 17.705 -14.169 -6.297) 23.534 9.723 ( -6.756 -3.698 -6.965) 10.384 9.723 ( 6.756 -3.698 -6.965) 10.384 9.962 ( -11.027 -3.565 -2.624) 11.882 9.962 ( 11.027 -3.565 -2.624) 11.882 10.215 ( -3.139 0.061 -6.802) 7.491 10.215 ( 3.139 0.061 -6.802) 7.491 10.735 ( -6.236 8.807 -3.001) 11.200 10.735 ( 6.236 8.807 -3.001) 11.200 11.532 ( -6.873 -3.663 -4.172) 8.835 11.532 ( 6.873 -3.663 -4.172) 8.835 12.109 ( -8.584 -1.926 0.769) 8.831 12.109 ( 8.584 -1.926 0.769) 8.831 12.438 ( -7.248 4.953 -3.835) 9.579 12.438 ( 7.248 4.953 -3.835) 9.579 12.612 ( -3.430 -7.152 -5.190) 9.479 12.612 ( 3.430 -7.152 -5.190) 9.479 13.069 ( -9.707 1.197 -5.288) 11.118 13.069 ( 9.707 1.197 -5.288) 11.118 13.330 ( -4.734 11.688 9.924) 16.047 13.330 ( 4.734 11.688 9.924) 16.047 13.889 ( -5.964 3.942 -1.687) 7.345 13.889 ( 5.964 3.942 -1.687) 7.346 14.384 ( -9.684 -9.424 2.382) 13.721 14.384 ( 9.684 -9.424 2.382) 13.721 14.518 ( -9.836 -4.348 -4.588) 11.692 14.518 ( 9.836 -4.348 -4.588) 11.692 15.860 ( -7.591 1.470 6.180) 9.898 15.860 ( 7.591 1.470 6.180) 9.898 15.935 ( -1.760 3.331 4.443) 5.825 15.935 ( 1.760 3.331 4.443) 5.825 17.005 ( -2.243 -3.500 -18.400) 18.864 17.005 ( 2.243 -3.500 -18.400) 18.864 17.063 ( -2.960 -2.132 -18.708) 19.060 17.063 ( 2.960 -2.132 -18.708) 19.060 22.006 ( -30.308 7.148 24.118) 39.388 22.006 ( 30.308 7.148 24.118) 39.388 22.656 ( -18.373 -4.830 22.275) 29.276 22.656 ( 18.373 -4.830 22.275) 29.276 23.625 ( -5.861 0.372 -9.937) 11.543 23.625 ( 5.861 0.372 -9.937) 11.543 23.814 ( -5.982 1.099 -18.780) 19.741 23.814 ( 5.982 1.099 -18.780) 19.741 ======================= Grid point 187 (67/90) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( 0.000 10.468 26.534) 28.525 3.129 ( 0.000 -1.407 22.346) 22.391 3.179 ( 0.000 15.353 29.701) 33.435 3.504 ( 0.000 -12.968 18.042) 22.219 4.219 ( 0.000 3.913 -11.898) 12.525 4.229 ( 0.000 5.016 -12.131) 13.127 4.638 ( 0.000 5.432 -7.145) 8.975 4.743 ( 0.000 -6.342 -11.546) 13.173 5.164 ( 0.000 8.891 10.640) 13.866 5.421 ( 0.000 -13.204 29.193) 32.040 5.748 ( 0.000 25.599 42.725) 49.807 6.248 ( 0.000 9.704 21.245) 23.356 6.305 ( 0.000 -13.921 14.002) 19.744 6.332 ( 0.000 2.765 9.567) 9.958 6.382 ( 0.000 -4.939 10.323) 11.444 6.595 ( 0.000 -20.414 13.558) 24.506 6.968 ( 0.000 12.901 5.912) 14.191 7.023 ( 0.000 8.983 -6.611) 11.154 7.240 ( 0.000 -7.983 10.170) 12.929 7.285 ( 0.000 -2.686 -4.156) 4.949 7.459 ( 0.000 10.896 8.939) 14.094 7.662 ( 0.000 -6.426 7.683) 10.016 8.181 ( 0.000 0.991 10.677) 10.723 8.194 ( 0.000 -2.155 20.887) 20.998 8.370 ( 0.000 -0.139 -17.383) 17.383 8.504 ( 0.000 -9.611 -35.156) 36.446 8.713 ( 0.000 2.560 -14.029) 14.261 8.855 ( 0.000 -8.349 -11.887) 14.526 9.025 ( 0.000 13.828 -2.010) 13.974 9.164 ( 0.000 5.420 -9.841) 11.234 9.211 ( 0.000 -7.196 0.935) 7.256 9.452 ( 0.000 -16.962 -16.313) 23.533 9.595 ( 0.000 14.555 -25.112) 29.026 9.877 ( 0.000 -12.206 -18.277) 21.978 10.261 ( 0.000 25.172 -13.173) 28.410 10.769 ( 0.000 -11.747 2.471) 12.004 10.914 ( 0.000 4.891 4.199) 6.446 11.313 ( 0.000 2.144 7.947) 8.231 11.330 ( 0.000 -20.750 14.119) 25.097 11.374 ( 0.000 -4.739 13.563) 14.367 11.848 ( 0.000 9.703 3.865) 10.444 11.925 ( 0.000 4.781 -3.714) 6.054 12.119 ( 0.000 10.648 -2.511) 10.940 12.391 ( 0.000 -13.750 -2.386) 13.956 12.794 ( 0.000 -4.847 1.611) 5.108 12.838 ( 0.000 -6.229 -2.815) 6.835 13.350 ( 0.000 12.433 -5.827) 13.731 13.511 ( 0.000 -3.165 -6.200) 6.961 13.691 ( 0.000 4.286 -2.110) 4.777 13.715 ( 0.000 -1.800 -9.941) 10.103 13.802 ( 0.000 -1.925 -10.677) 10.849 13.868 ( 0.000 -4.602 -7.104) 8.464 14.328 ( 0.000 6.726 9.650) 11.763 14.585 ( 0.000 -15.365 9.967) 18.315 15.124 ( 0.000 11.499 -2.816) 11.839 15.202 ( 0.000 5.542 -12.274) 13.467 16.052 ( 0.000 2.896 -0.500) 2.939 16.054 ( 0.000 4.128 2.837) 5.009 16.165 ( 0.000 1.933 -3.536) 4.030 16.375 ( 0.000 -15.768 -18.841) 24.568 16.572 ( 0.000 -2.374 12.204) 12.433 16.596 ( 0.000 -3.317 4.170) 5.329 17.209 ( 0.000 21.041 -17.780) 27.547 17.585 ( 0.000 -12.861 -18.716) 22.709 20.596 ( 0.000 15.800 35.139) 38.527 20.980 ( 0.000 -18.840 33.458) 38.398 22.577 ( 0.000 3.724 -15.792) 16.225 22.639 ( 0.000 -1.928 -27.010) 27.079 24.234 ( 0.000 3.764 2.471) 4.502 24.328 ( 0.000 -4.440 2.993) 5.354 24.757 ( 0.000 4.998 -12.769) 13.712 24.794 ( 0.000 2.455 -11.321) 11.584 ======================= Grid point 188 (68/90) ======================= q-point: ( 0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 1.361 10.858 29.360) 31.333 3.152 ( 1.512 7.660 23.117) 24.400 3.264 ( 10.074 4.515 21.464) 24.137 3.544 ( 4.142 -12.713 18.508) 22.832 4.244 ( 2.411 6.333 -10.813) 12.761 4.253 ( 2.169 5.495 -9.698) 11.356 4.655 ( 0.885 4.599 -7.112) 8.516 4.759 ( 1.015 -6.907 -9.585) 11.857 5.067 ( -5.217 6.640 5.176) 9.905 5.322 ( -6.236 -14.857 24.366) 29.212 6.025 ( 20.285 21.754 36.374) 46.987 6.209 ( -4.371 5.876 14.740) 16.459 6.260 ( -3.830 3.766 13.080) 14.140 6.309 ( -0.795 -4.335 12.332) 13.096 6.452 ( 3.546 0.268 12.303) 12.807 6.679 ( 2.337 -6.285 6.171) 9.113 6.881 ( -1.817 0.415 4.726) 5.080 7.003 ( 1.288 -0.616 2.427) 2.816 7.129 ( -6.596 -7.100 -1.737) 9.846 7.309 ( -0.762 -11.709 2.211) 11.941 7.523 ( 2.992 13.187 6.141) 14.852 7.738 ( 6.252 -4.388 13.849) 15.816 8.083 ( -4.189 -0.668 16.500) 17.037 8.127 ( -8.459 -5.841 8.071) 13.069 8.223 ( -9.435 10.143 -13.364) 19.249 8.391 ( -5.726 -3.935 -15.906) 17.357 8.797 ( -0.965 -1.151 -6.460) 6.632 8.827 ( 10.062 -4.512 -18.460) 21.503 9.119 ( 0.599 5.230 -3.723) 6.448 9.205 ( 5.079 -2.171 -3.524) 6.552 9.449 ( 16.572 2.859 -10.328) 19.735 9.589 ( 11.108 -2.075 -19.129) 22.217 9.753 ( 12.097 7.328 -16.040) 21.385 10.007 ( 11.085 -10.621 -10.705) 18.715 10.319 ( 7.112 13.781 -9.509) 18.191 10.606 ( -15.437 -3.757 8.087) 17.828 10.912 ( 0.244 5.021 3.660) 6.218 11.242 ( -5.105 -17.444 10.469) 20.976 11.278 ( -1.985 -1.202 2.309) 3.274 11.381 ( -1.107 -8.011 10.536) 13.282 11.754 ( -4.398 7.433 0.034) 8.637 11.867 ( -6.891 -0.835 0.743) 6.981 12.091 ( -3.881 11.168 -6.958) 13.719 12.362 ( -5.991 -13.041 -2.969) 14.655 12.778 ( -0.514 -1.947 -2.489) 3.201 12.829 ( -1.455 -4.600 -2.884) 5.621 13.171 ( -12.693 7.707 -12.578) 19.460 13.301 ( -14.960 -4.346 -10.371) 18.714 13.728 ( 2.995 7.204 -1.078) 7.876 13.813 ( 5.064 -1.459 -3.412) 6.278 13.894 ( 8.650 5.294 -0.839) 10.176 13.975 ( 5.756 -0.403 -10.528) 12.006 14.382 ( 4.358 0.305 8.559) 9.610 14.554 ( -3.483 -12.938 9.141) 16.220 15.041 ( -8.069 8.598 -3.326) 12.252 15.130 ( -6.676 1.493 -7.258) 9.974 15.982 ( -6.472 3.865 3.355) 8.251 16.022 ( -5.677 1.525 -0.022) 5.879 16.126 ( -1.058 7.265 -6.741) 9.967 16.360 ( -1.389 -11.303 -4.501) 12.245 16.564 ( 1.654 -2.582 -0.744) 3.155 16.619 ( 0.854 -5.753 2.936) 6.515 17.240 ( 2.125 16.527 -17.879) 24.440 17.553 ( -3.249 -11.163 -19.051) 22.318 20.675 ( 8.028 15.977 34.815) 39.138 21.063 ( 8.242 -18.938 33.304) 39.188 22.648 ( 7.011 3.152 -15.608) 17.398 22.695 ( 5.646 -1.210 -26.722) 27.339 24.134 ( -10.350 4.334 4.222) 11.988 24.235 ( -9.656 -4.438 4.507) 11.543 24.673 ( -7.625 5.894 -10.611) 14.334 24.732 ( -6.369 0.810 -12.970) 14.472 ======================= Grid point 189 (69/90) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 4.147 11.963 24.689) 27.746 3.256 ( 8.673 2.270 16.327) 18.627 3.509 ( 13.661 1.980 17.164) 22.026 3.688 ( 11.645 -7.262 17.716) 22.410 4.284 ( -0.068 6.384 -8.349) 10.511 4.314 ( 4.413 6.434 -7.649) 10.926 4.637 ( -2.886 3.562 -5.412) 7.093 4.746 ( -3.412 -7.108 -8.944) 11.923 4.968 ( -6.467 7.036 -1.445) 9.666 5.275 ( 0.576 -15.464 16.420) 22.562 6.071 ( -4.157 2.267 13.850) 14.637 6.168 ( 0.380 -3.431 15.443) 15.824 6.263 ( -0.743 6.367 14.417) 15.777 6.356 ( 0.328 1.967 -2.258) 3.012 6.606 ( 4.724 6.079 10.538) 13.051 6.655 ( 2.567 1.229 22.938) 23.114 6.868 ( 5.399 5.688 -2.287) 8.169 7.009 ( -2.759 6.434 -2.657) 7.488 7.150 ( 4.367 -9.794 3.153) 11.178 7.323 ( 2.599 -11.606 7.176) 13.890 7.589 ( 8.154 4.201 2.792) 9.588 7.854 ( 1.219 -5.915 7.303) 9.476 7.911 ( -4.538 2.545 2.915) 5.963 7.980 ( -3.933 -5.740 16.623) 18.020 8.252 ( 5.324 11.842 8.387) 15.457 8.406 ( 5.701 -3.577 0.866) 6.786 8.766 ( -1.828 6.354 -7.657) 10.117 8.905 ( -0.254 -1.917 -6.915) 7.180 9.210 ( -1.561 1.435 2.432) 3.227 9.256 ( 4.065 -4.542 -9.676) 11.436 9.586 ( -1.677 3.568 -4.975) 6.347 9.701 ( 0.263 -6.088 -8.986) 10.858 9.990 ( 1.759 6.963 -5.585) 9.097 10.121 ( -0.124 -3.220 -1.652) 3.621 10.363 ( 3.188 7.432 -3.291) 8.731 10.575 ( 15.129 -11.466 -2.223) 19.112 10.932 ( 1.703 14.070 9.159) 16.874 11.198 ( -6.613 -6.689 -4.082) 10.254 11.280 ( 3.616 -6.337 -8.252) 11.014 11.351 ( 0.488 -12.114 4.565) 12.954 11.713 ( -4.719 2.149 -1.722) 5.464 11.752 ( 2.285 -0.337 -0.741) 2.425 11.972 ( -4.942 6.806 -6.790) 10.810 12.167 ( -10.071 -10.866 -1.610) 14.902 12.740 ( -4.094 -0.541 -10.520) 11.301 12.792 ( -2.394 -4.089 -4.642) 6.633 12.970 ( -6.878 6.715 -15.602) 18.325 13.090 ( -5.489 -3.376 -10.567) 12.377 13.757 ( -0.866 7.188 -0.786) 7.283 13.842 ( -2.531 -0.367 1.958) 3.221 14.017 ( 4.035 8.776 -3.788) 10.375 14.100 ( 6.130 4.367 -2.739) 8.009 14.402 ( -6.118 1.665 8.491) 10.598 14.465 ( -3.120 -8.389 4.156) 9.868 14.844 ( -11.037 1.293 -0.553) 11.126 14.972 ( -9.140 -7.946 -1.853) 12.252 15.843 ( -6.719 3.779 3.469) 8.453 15.871 ( -6.431 2.285 2.841) 7.393 16.143 ( 1.043 9.739 -4.167) 10.644 16.312 ( -3.718 -4.560 7.017) 9.158 16.636 ( 4.657 -6.585 -13.668) 15.870 16.641 ( 2.366 -5.810 -3.762) 7.315 17.256 ( -0.924 10.059 -18.534) 21.108 17.460 ( -6.153 -7.714 -19.921) 22.230 20.902 ( 14.966 16.072 33.938) 40.424 21.288 ( 14.505 -18.707 32.805) 40.454 22.834 ( 11.478 2.063 -15.103) 19.081 22.852 ( 10.233 0.320 -25.203) 27.204 23.833 ( -20.162 5.885 8.482) 22.652 23.957 ( -18.299 -4.765 8.993) 20.939 24.493 ( -10.388 5.300 -9.422) 14.992 24.560 ( -10.792 -0.682 -14.735) 18.278 ======================= Grid point 190 (70/90) ======================= q-point: ( 0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 10.380 11.563 14.580) 21.308 3.450 ( 10.528 -7.649 7.684) 15.112 3.788 ( 15.193 11.288 16.209) 24.919 3.973 ( 13.738 0.008 6.848) 15.350 4.215 ( -5.392 2.827 -3.332) 6.940 4.344 ( -4.340 -5.318 -11.975) 13.803 4.582 ( -1.953 2.319 -2.234) 3.766 4.641 ( -4.288 -2.938 -4.893) 7.139 4.863 ( -0.772 13.530 7.940) 15.706 5.277 ( -0.845 -19.442 14.248) 24.119 6.114 ( 7.708 5.004 15.389) 17.924 6.156 ( -8.671 5.757 1.913) 10.583 6.269 ( 4.103 -0.208 12.797) 13.441 6.376 ( -3.110 -8.372 0.930) 8.979 6.467 ( -8.681 4.399 10.214) 14.108 6.632 ( 1.004 -10.098 12.118) 15.806 6.982 ( 0.471 9.182 -3.128) 9.712 7.108 ( 7.518 2.258 0.092) 7.850 7.210 ( 2.971 7.773 -1.996) 8.557 7.452 ( 9.301 -4.071 2.322) 10.415 7.734 ( 6.274 3.223 -7.181) 10.066 7.837 ( 2.575 0.851 9.017) 9.416 7.991 ( 8.617 -3.229 15.577) 18.092 8.007 ( 2.559 -2.921 23.042) 23.367 8.306 ( 2.957 7.801 13.652) 15.999 8.525 ( 3.277 -11.682 8.721) 14.942 8.734 ( -3.555 14.987 -7.411) 17.093 8.923 ( 1.434 6.694 -1.623) 7.036 9.049 ( -12.143 -1.522 5.598) 13.457 9.196 ( -4.298 -15.544 4.024) 16.622 9.512 ( -2.767 2.555 -1.722) 4.141 9.702 ( -0.324 -12.080 -8.168) 14.585 9.936 ( -3.194 7.042 -12.242) 14.480 10.066 ( -2.281 -4.081 -8.014) 9.279 10.537 ( 0.807 5.891 -2.455) 6.433 10.663 ( -11.587 -4.975 -6.746) 14.301 10.939 ( 0.219 12.469 1.702) 12.587 11.076 ( -5.537 9.570 -6.642) 12.897 11.216 ( 0.157 -13.034 4.593) 13.821 11.413 ( 1.858 -17.718 8.148) 19.590 11.714 ( 7.056 10.253 -2.983) 12.799 11.875 ( 6.240 -2.985 -3.164) 7.607 12.058 ( 13.910 -0.765 -7.379) 15.764 12.139 ( 7.714 -7.450 -2.626) 11.041 12.667 ( -2.748 1.816 -11.674) 12.130 12.737 ( -1.203 -1.597 -9.891) 10.091 12.901 ( -1.588 6.005 -12.670) 14.111 13.045 ( -0.290 -5.190 -10.907) 12.083 13.695 ( -5.463 5.883 0.974) 8.087 13.752 ( -4.692 -1.363 2.884) 5.674 14.048 ( -2.596 3.423 -2.985) 5.232 14.138 ( -3.966 6.426 1.789) 7.760 14.254 ( -4.022 14.084 5.864) 15.777 14.373 ( -6.648 -2.700 -1.083) 7.257 14.639 ( -9.813 -6.278 2.761) 11.972 14.775 ( -11.043 -14.700 -0.661) 18.398 15.762 ( -1.072 4.227 4.384) 6.184 15.811 ( 0.106 0.143 6.627) 6.629 16.136 ( -1.912 6.901 1.171) 7.256 16.213 ( -6.315 -1.231 8.248) 10.460 16.706 ( 4.933 -3.712 -12.669) 14.093 16.746 ( 5.816 -6.693 -18.282) 20.319 17.203 ( -4.305 5.242 -19.507) 20.652 17.319 ( -8.187 -4.668 -20.993) 23.012 21.251 ( 20.625 15.470 32.441) 41.438 21.617 ( 18.974 -17.384 31.721) 40.847 23.047 ( 8.186 2.859 -15.788) 18.013 23.078 ( 9.751 0.142 -12.452) 15.816 23.392 ( -21.323 8.170 8.998) 24.543 23.566 ( -19.333 -6.890 10.822) 23.202 24.273 ( -12.178 3.704 -10.235) 16.333 24.324 ( -13.273 -0.947 -16.442) 21.153 ======================= Grid point 191 (71/90) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.425 ( 11.350 11.011 7.056) 17.316 3.651 ( 9.624 -7.304 2.440) 12.326 3.898 ( -8.961 5.438 -6.227) 12.191 4.118 ( -9.530 -10.682 -9.719) 17.303 4.133 ( 11.588 16.959 12.514) 24.052 4.390 ( 12.159 -3.785 6.071) 14.107 4.504 ( -5.903 7.105 3.733) 9.963 4.619 ( 0.355 -3.509 1.962) 4.036 5.027 ( 16.407 5.696 11.355) 20.750 5.285 ( 3.548 -14.556 12.146) 19.287 5.848 ( -20.522 3.712 2.077) 20.958 5.953 ( -24.546 -5.998 6.566) 26.107 6.315 ( 8.268 8.267 15.489) 19.407 6.367 ( 4.052 6.670 13.860) 15.906 6.568 ( 5.499 -4.831 15.900) 17.504 6.651 ( 0.202 -9.914 14.810) 17.823 7.062 ( 7.716 12.135 -5.753) 15.488 7.216 ( 1.817 4.887 -1.618) 5.459 7.275 ( 6.330 2.536 -9.907) 12.027 7.494 ( -3.163 -8.160 -0.657) 8.776 7.799 ( 4.554 9.996 0.178) 10.986 7.942 ( -1.313 -2.343 12.344) 12.633 8.124 ( 15.614 0.713 7.117) 17.174 8.202 ( 10.442 -5.441 13.007) 17.545 8.392 ( -0.730 -1.492 11.972) 12.086 8.436 ( -11.143 4.777 14.224) 18.690 8.551 ( -8.892 0.764 -6.963) 11.320 8.796 ( -7.679 -10.264 -11.093) 16.952 9.026 ( 7.223 15.452 3.020) 17.322 9.300 ( 5.602 -10.137 -5.545) 12.841 9.510 ( 2.731 -2.610 -1.087) 3.931 9.608 ( -9.509 -12.743 -8.209) 17.894 9.902 ( 0.644 6.486 -5.844) 8.754 9.995 ( -1.903 -1.192 -2.765) 3.562 10.340 ( -13.304 -0.494 -7.933) 15.498 10.369 ( -15.786 -1.953 -7.719) 17.680 10.930 ( 1.534 14.777 2.761) 15.111 11.059 ( -1.852 11.102 3.394) 11.756 11.229 ( 2.089 -12.490 6.784) 14.366 11.402 ( -3.563 -17.560 9.833) 20.439 11.959 ( 14.740 10.015 -1.737) 17.905 12.071 ( 13.008 -0.851 0.614) 13.050 12.238 ( 4.220 -0.951 -3.292) 5.436 12.363 ( 8.271 -10.566 -4.229) 14.069 12.648 ( 1.826 8.751 -9.560) 13.089 12.773 ( 2.872 5.525 -14.004) 15.326 12.886 ( 0.853 0.536 -11.862) 11.905 13.052 ( -0.081 -7.873 -12.180) 14.503 13.579 ( -4.042 8.224 5.597) 10.738 13.710 ( -0.582 0.293 3.722) 3.778 13.889 ( -9.259 1.988 3.159) 9.983 14.033 ( -6.869 -1.152 -0.803) 7.011 14.222 ( -0.305 12.199 3.124) 12.596 14.281 ( -1.604 1.471 -2.882) 3.612 14.465 ( -7.585 -7.091 0.860) 10.419 14.552 ( -11.339 -14.312 -1.948) 18.363 15.798 ( 4.390 3.855 5.638) 8.119 15.860 ( 4.407 -1.202 7.495) 8.777 16.069 ( -5.795 2.214 5.219) 8.107 16.076 ( -6.600 1.419 6.639) 9.469 16.824 ( 6.900 -1.782 -18.796) 20.102 16.861 ( 5.956 -4.466 -20.016) 21.356 17.099 ( -6.066 1.502 -20.534) 21.464 17.151 ( -8.760 -2.772 -21.582) 23.457 21.698 ( 25.080 13.971 29.940) 41.480 22.021 ( 22.286 -14.776 29.666) 39.938 22.772 ( -27.840 8.675 20.331) 35.548 22.939 ( -21.185 -5.286 18.362) 28.529 23.436 ( 14.507 2.302 -17.802) 23.080 23.473 ( 10.250 -1.240 -14.675) 17.944 24.020 ( -13.597 1.928 -12.054) 18.273 24.049 ( -14.783 -0.839 -18.096) 23.382 ======================= Grid point 192 (72/90) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.641 ( -10.534 10.546 0.654) 14.920 3.641 ( 10.534 10.546 0.654) 14.920 3.900 ( -10.372 -12.215 -3.589) 16.421 3.900 ( 10.372 -12.215 -3.589) 16.421 4.352 ( -8.727 14.964 8.339) 19.226 4.352 ( 8.727 14.964 8.339) 19.226 4.584 ( -5.284 -5.198 3.967) 8.407 4.584 ( 5.284 -5.198 3.967) 8.407 5.408 ( -15.061 1.369 9.935) 18.095 5.408 ( 15.061 1.369 9.935) 18.095 5.514 ( -11.981 -7.244 8.284) 16.268 5.514 ( 11.981 -7.244 8.284) 16.268 6.409 ( -0.975 9.920 15.258) 18.226 6.409 ( 0.975 9.920 15.258) 18.226 6.630 ( -2.132 -8.550 15.868) 18.151 6.630 ( 2.132 -8.550 15.868) 18.151 7.194 ( -4.028 10.772 -3.003) 11.886 7.194 ( 4.028 10.772 -3.003) 11.886 7.403 ( -5.725 -8.037 -2.836) 10.267 7.403 ( 5.725 -8.037 -2.836) 10.267 7.939 ( -6.537 14.010 1.864) 15.572 7.939 ( 6.537 14.010 1.864) 15.572 8.192 ( -3.556 -3.750 10.134) 11.375 8.192 ( 3.556 -3.750 10.134) 11.375 8.371 ( -2.953 2.460 6.022) 7.144 8.371 ( 2.953 2.460 6.022) 7.144 8.630 ( -11.339 -19.040 -10.721) 24.618 8.630 ( 11.339 -19.040 -10.721) 24.618 9.192 ( -10.874 14.870 -3.583) 18.768 9.192 ( 10.875 14.870 -3.583) 18.768 9.536 ( -3.261 -13.740 -6.860) 15.700 9.536 ( 3.261 -13.740 -6.860) 15.700 10.010 ( -6.676 6.199 0.282) 9.115 10.010 ( 6.677 6.199 0.282) 9.115 10.149 ( -2.664 -5.442 -3.790) 7.147 10.149 ( 2.664 -5.442 -3.790) 7.147 10.988 ( -4.020 13.824 4.041) 14.953 10.988 ( 4.020 13.824 4.041) 14.953 11.307 ( -5.167 -14.472 7.701) 17.188 11.307 ( 5.167 -14.472 7.701) 17.188 12.180 ( -5.984 6.303 -0.073) 8.691 12.180 ( 5.984 6.303 -0.073) 8.691 12.341 ( -7.974 -8.096 -0.181) 11.365 12.341 ( 7.974 -8.096 -0.181) 11.365 12.741 ( -5.195 12.166 -14.203) 19.409 12.741 ( 5.195 12.166 -14.203) 19.409 12.984 ( -6.815 -8.477 -11.231) 15.634 12.984 ( 6.815 -8.477 -11.231) 15.634 13.611 ( -6.973 13.659 7.300) 16.985 13.611 ( 6.973 13.659 7.300) 16.985 13.884 ( -6.917 -8.366 0.634) 10.874 13.884 ( 6.917 -8.366 0.634) 10.874 14.263 ( -2.566 2.087 1.562) 3.659 14.263 ( 2.566 2.087 1.562) 3.659 14.389 ( -2.404 -6.836 -4.085) 8.319 14.389 ( 2.404 -6.836 -4.085) 8.319 15.915 ( -6.531 3.246 6.761) 9.945 15.915 ( 6.531 3.246 6.761) 9.945 15.970 ( -4.908 -0.796 6.080) 7.854 15.970 ( 4.908 -0.796 6.080) 7.854 16.958 ( -3.489 -0.101 -21.134) 21.420 16.958 ( 3.489 -0.101 -21.134) 21.420 16.998 ( -3.523 -3.140 -20.868) 21.395 16.998 ( 3.523 -3.140 -20.868) 21.395 22.219 ( -28.003 11.695 26.087) 40.019 22.219 ( 28.003 11.695 26.087) 40.019 22.477 ( -24.244 -11.025 26.192) 37.354 22.477 ( 24.244 -11.025 26.192) 37.354 23.690 ( -0.518 4.940 -15.928) 16.685 23.690 ( 0.518 4.940 -15.928) 16.685 23.791 ( -1.413 -3.323 -17.337) 17.709 23.791 ( 1.413 -3.323 -17.337) 17.709 ======================= Grid point 220 (73/90) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 0.000 0.000 24.360) 24.360 3.276 ( 0.000 0.000 4.052) 4.052 3.334 ( 0.000 0.000 -3.924) 3.924 3.514 ( 0.000 0.000 -16.468) 16.468 3.798 ( 0.000 0.000 40.520) 40.520 4.137 ( 0.000 0.000 2.634) 2.634 4.228 ( 0.000 0.000 -5.597) 5.597 4.706 ( 0.000 0.000 -39.244) 39.244 4.951 ( 0.000 0.000 -9.120) 9.120 5.036 ( 0.000 0.000 -11.728) 11.728 6.100 ( 0.000 0.000 17.643) 17.643 6.390 ( 0.000 0.000 -10.453) 10.453 6.458 ( 0.000 0.000 22.287) 22.287 6.610 ( 0.000 0.000 52.185) 52.185 6.645 ( 0.000 0.000 -4.444) 4.444 6.748 ( 0.000 0.000 7.000) 7.000 6.836 ( 0.000 0.000 -0.287) 0.287 7.523 ( 0.000 0.000 -3.520) 3.520 7.574 ( 0.000 0.000 32.696) 32.696 7.773 ( 0.000 0.000 17.527) 17.527 7.920 ( 0.000 0.000 -32.594) 32.594 8.074 ( 0.000 0.000 8.972) 8.972 8.110 ( 0.000 0.000 0.583) 0.583 8.187 ( 0.000 0.000 -5.108) 5.108 8.264 ( 0.000 0.000 6.469) 6.469 8.299 ( 0.000 0.000 -13.415) 13.415 8.599 ( 0.000 0.000 2.194) 2.194 8.687 ( 0.000 0.000 -3.420) 3.420 8.845 ( 0.000 0.000 -9.245) 9.245 8.944 ( 0.000 0.000 15.703) 15.703 9.031 ( 0.000 0.000 -36.847) 36.847 9.081 ( 0.000 0.000 -2.505) 2.505 9.162 ( 0.000 0.000 -6.096) 6.096 9.296 ( 0.000 0.000 -16.077) 16.077 10.732 ( 0.000 0.000 14.466) 14.466 10.748 ( 0.000 0.000 16.056) 16.056 11.304 ( 0.000 0.000 -15.576) 15.576 11.342 ( 0.000 0.000 -16.940) 16.940 11.526 ( 0.000 0.000 1.556) 1.556 11.551 ( 0.000 0.000 -0.287) 0.287 11.631 ( 0.000 0.000 6.495) 6.495 11.655 ( 0.000 0.000 4.076) 4.076 12.455 ( 0.000 0.000 12.870) 12.870 12.686 ( 0.000 0.000 -8.877) 8.877 12.867 ( 0.000 0.000 11.432) 11.432 12.970 ( 0.000 0.000 0.617) 0.617 13.177 ( 0.000 0.000 5.696) 5.696 13.385 ( 0.000 0.000 -14.330) 14.330 13.555 ( 0.000 0.000 5.933) 5.933 13.598 ( 0.000 0.000 -9.418) 9.418 13.641 ( 0.000 0.000 -12.126) 12.126 13.693 ( 0.000 0.000 -6.936) 6.936 14.547 ( 0.000 0.000 7.657) 7.657 14.676 ( 0.000 0.000 -5.421) 5.421 14.730 ( 0.000 0.000 16.622) 16.622 15.130 ( 0.000 0.000 -21.978) 21.978 15.848 ( 0.000 0.000 14.312) 14.312 16.093 ( 0.000 0.000 2.903) 2.903 16.120 ( 0.000 0.000 0.976) 0.976 16.183 ( 0.000 0.000 -17.826) 17.826 16.667 ( 0.000 0.000 1.563) 1.563 16.733 ( 0.000 0.000 -3.660) 3.660 17.177 ( 0.000 0.000 17.690) 17.690 17.501 ( 0.000 0.000 -15.009) 15.009 20.981 ( 0.000 0.000 40.113) 40.113 21.833 ( 0.000 0.000 -42.619) 42.619 22.049 ( 0.000 0.000 19.611) 19.611 22.348 ( 0.000 0.000 -9.740) 9.740 24.194 ( 0.000 0.000 3.218) 3.218 24.314 ( 0.000 0.000 -8.804) 8.804 24.446 ( 0.000 0.000 -0.737) 0.737 24.450 ( 0.000 0.000 -1.037) 1.037 ======================= Grid point 221 (74/90) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -2.836 0.000 14.762) 15.032 3.193 ( -3.422 0.000 -4.069) 5.316 3.578 ( 19.015 0.000 2.833) 19.225 3.686 ( -0.057 0.000 16.749) 16.749 3.723 ( 6.336 0.000 17.423) 18.539 4.190 ( 4.665 0.000 3.209) 5.662 4.248 ( 1.332 0.000 -5.727) 5.880 4.648 ( -6.053 0.000 -43.201) 43.623 4.949 ( 0.597 0.000 0.556) 0.815 5.142 ( 9.774 0.000 -16.723) 19.370 6.097 ( -0.820 0.000 18.924) 18.942 6.412 ( 1.561 0.000 -11.434) 11.540 6.431 ( -4.648 0.000 12.896) 13.708 6.626 ( -0.876 0.000 -5.698) 5.765 6.754 ( -0.107 0.000 6.415) 6.416 6.759 ( 17.022 0.000 56.835) 59.329 6.816 ( -2.933 0.000 3.894) 4.875 7.287 ( -18.923 0.000 23.324) 30.035 7.526 ( -5.202 0.000 -2.630) 5.829 7.742 ( -30.983 0.000 3.129) 31.141 7.826 ( -3.188 0.000 -30.165) 30.333 7.840 ( -4.567 0.000 6.602) 8.028 7.892 ( -5.998 0.000 13.469) 14.745 8.217 ( 7.698 0.000 -6.114) 9.831 8.311 ( 10.924 0.000 -2.596) 11.228 8.356 ( 10.114 0.000 -22.154) 24.354 8.604 ( -1.525 0.000 12.196) 12.291 8.832 ( 8.690 0.000 13.038) 15.668 8.867 ( 1.676 0.000 -10.254) 10.390 9.046 ( -1.143 0.000 -1.307) 1.736 9.216 ( 9.872 0.000 -7.596) 12.456 9.331 ( 13.739 0.000 -23.840) 27.516 9.397 ( 31.868 0.000 7.043) 32.637 9.561 ( 21.361 0.000 -9.014) 23.185 10.641 ( -5.908 0.000 14.570) 15.722 10.696 ( -3.719 0.000 11.932) 12.498 11.179 ( -13.166 0.000 -14.668) 19.711 11.236 ( -5.718 0.000 -16.765) 17.713 11.438 ( -5.639 0.000 1.503) 5.836 11.468 ( -7.465 0.000 -0.427) 7.477 11.763 ( 9.302 0.000 3.991) 10.122 11.785 ( 6.773 0.000 3.055) 7.430 12.440 ( -0.994 0.000 11.761) 11.803 12.628 ( -5.044 0.000 -5.706) 7.616 12.790 ( -8.788 0.000 5.683) 10.465 12.839 ( -14.564 0.000 -1.516) 14.642 13.056 ( -6.011 0.000 2.331) 6.447 13.168 ( -15.762 0.000 -9.045) 18.173 13.545 ( -0.588 0.000 6.259) 6.286 13.598 ( -2.222 0.000 -4.526) 5.042 13.691 ( 2.351 0.000 -10.676) 10.931 13.692 ( 1.200 0.000 -7.725) 7.818 14.651 ( -4.033 0.000 10.169) 10.939 14.710 ( 12.914 0.000 3.793) 13.460 14.822 ( 8.929 0.000 -0.897) 8.974 15.000 ( -12.596 0.000 -16.334) 20.627 15.824 ( -2.630 0.000 9.241) 9.608 15.914 ( -10.475 0.000 0.094) 10.476 16.091 ( -1.706 0.000 5.690) 5.940 16.315 ( 6.248 0.000 -16.167) 17.332 16.720 ( 4.229 0.000 1.820) 4.604 16.770 ( 3.110 0.000 -2.634) 4.076 17.118 ( -5.469 0.000 15.532) 16.467 17.429 ( -7.095 0.000 -15.215) 16.788 21.042 ( 6.314 0.000 39.366) 39.869 21.876 ( 4.454 0.000 -41.136) 41.377 22.135 ( 8.467 0.000 18.711) 20.538 22.429 ( 8.013 0.000 -9.677) 12.564 24.110 ( -8.627 0.000 5.539) 10.252 24.262 ( -5.172 0.000 -7.431) 9.054 24.373 ( -7.808 0.000 -1.940) 8.045 24.395 ( -5.065 0.000 -2.124) 5.493 ======================= Grid point 222 (75/90) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 6.294 0.000 9.228) 11.170 3.207 ( 4.839 0.000 -8.532) 9.809 3.558 ( -4.362 0.000 38.961) 39.204 3.965 ( 17.788 0.000 -2.502) 17.963 3.966 ( 9.305 0.000 3.660) 9.999 4.252 ( 0.141 0.000 -5.225) 5.227 4.295 ( 6.465 0.000 0.195) 6.468 4.498 ( -8.525 0.000 -36.743) 37.719 4.984 ( 2.500 0.000 12.169) 12.423 5.361 ( 11.240 0.000 -23.648) 26.183 6.048 ( -4.319 0.000 21.154) 21.590 6.330 ( -5.929 0.000 14.715) 15.865 6.428 ( 0.370 0.000 -13.996) 14.001 6.613 ( -2.072 0.000 -11.751) 11.933 6.654 ( -9.297 0.000 11.142) 14.511 6.756 ( -0.814 0.000 2.883) 2.995 7.034 ( -24.214 0.000 -3.567) 24.476 7.077 ( -1.957 0.000 -0.413) 2.000 7.217 ( 24.058 0.000 42.866) 49.155 7.487 ( -8.074 0.000 8.149) 11.471 7.591 ( -5.957 0.000 4.497) 7.464 7.951 ( 12.601 0.000 -12.619) 17.834 8.075 ( 12.162 0.000 17.809) 21.565 8.348 ( 3.702 0.000 -4.063) 5.496 8.478 ( 6.782 0.000 8.590) 10.945 8.502 ( -0.258 0.000 -12.232) 12.235 8.639 ( 1.574 0.000 0.014) 1.574 8.905 ( 1.162 0.000 12.595) 12.649 8.914 ( 6.493 0.000 -18.334) 19.450 9.059 ( 2.446 0.000 -1.761) 3.014 9.431 ( 10.252 0.000 -0.844) 10.287 9.569 ( 11.052 0.000 -15.563) 19.088 9.788 ( 4.565 0.000 8.086) 9.286 9.969 ( 20.943 0.000 -6.408) 21.902 10.600 ( -6.951 0.000 13.877) 15.521 10.618 ( -2.018 0.000 13.423) 13.573 10.943 ( -10.537 0.000 -9.468) 14.166 11.083 ( -8.463 0.000 -18.297) 20.159 11.273 ( -11.889 0.000 -1.316) 11.961 11.352 ( -0.724 0.000 -10.191) 10.217 11.850 ( -0.065 0.000 5.703) 5.704 11.929 ( 7.996 0.000 -2.175) 8.287 12.391 ( -5.991 0.000 1.912) 6.289 12.456 ( -12.689 0.000 -5.746) 13.929 12.604 ( -3.300 0.000 3.900) 5.109 12.637 ( -0.569 0.000 2.971) 3.025 12.951 ( -6.786 0.000 0.300) 6.793 12.967 ( -3.862 0.000 -4.073) 5.612 13.526 ( -1.522 0.000 6.883) 7.049 13.542 ( -3.232 0.000 0.863) 3.345 13.697 ( -1.259 0.000 -7.035) 7.146 13.719 ( 1.466 0.000 -9.287) 9.402 14.517 ( -9.458 0.000 6.300) 11.364 14.687 ( -16.928 0.000 -8.794) 19.076 14.939 ( 7.830 0.000 2.360) 8.178 14.988 ( 6.014 0.000 -2.458) 6.497 15.739 ( -6.761 0.000 1.551) 6.937 15.761 ( -2.681 0.000 0.301) 2.698 16.085 ( 0.789 0.000 13.665) 13.688 16.395 ( 1.555 0.000 -15.068) 15.148 16.776 ( 0.517 0.000 3.345) 3.385 16.825 ( 2.006 0.000 -1.737) 2.654 17.003 ( -4.956 0.000 7.081) 8.643 17.249 ( -10.590 0.000 -15.266) 18.580 21.227 ( 12.569 0.000 37.199) 39.265 22.005 ( 8.696 0.000 -36.464) 37.486 22.360 ( 14.056 0.000 15.987) 21.288 22.640 ( 13.047 0.000 -9.538) 16.162 23.859 ( -16.862 0.000 10.860) 20.057 24.123 ( -8.795 0.000 -4.851) 10.044 24.152 ( -14.595 0.000 -4.114) 15.163 24.259 ( -8.599 0.000 -4.698) 9.799 ======================= Grid point 223 (76/90) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 13.177 0.000 5.678) 14.348 3.334 ( 6.584 0.000 2.905) 7.196 3.601 ( 9.952 0.000 18.017) 20.583 4.005 ( -4.280 0.000 9.270) 10.210 4.081 ( -1.800 0.000 -16.380) 16.478 4.305 ( -9.536 0.000 -17.435) 19.872 4.424 ( 10.374 0.000 -3.443) 10.930 4.474 ( 10.774 0.000 -2.503) 11.061 5.032 ( 3.419 0.000 18.275) 18.592 5.499 ( 0.229 0.000 -25.667) 25.668 5.904 ( -10.356 0.000 20.105) 22.616 6.259 ( 2.727 0.000 13.393) 13.668 6.334 ( -17.390 0.000 -21.365) 27.548 6.520 ( 2.636 0.000 -11.536) 11.834 6.562 ( -1.959 0.000 7.776) 8.019 6.649 ( -3.252 0.000 -0.277) 3.264 6.971 ( 7.053 0.000 7.394) 10.219 7.108 ( 3.784 0.000 -1.791) 4.186 7.392 ( 0.465 0.000 8.478) 8.491 7.443 ( 6.485 0.000 2.966) 7.131 7.865 ( 25.062 0.000 24.023) 34.716 8.044 ( -15.021 0.000 26.536) 30.492 8.265 ( 4.643 0.000 14.679) 15.396 8.308 ( 4.594 0.000 -15.094) 15.778 8.451 ( -2.559 0.000 -2.516) 3.588 8.511 ( -11.236 0.000 1.742) 11.370 8.693 ( 13.435 0.000 2.779) 13.720 8.931 ( 2.408 0.000 10.303) 10.580 9.136 ( 9.561 0.000 -9.089) 13.191 9.180 ( 13.945 0.000 -25.304) 28.892 9.559 ( 3.543 0.000 7.268) 8.085 9.755 ( 7.816 0.000 -11.871) 14.213 9.876 ( 0.248 0.000 13.570) 13.572 10.181 ( 3.461 0.000 -16.224) 16.589 10.191 ( -26.111 0.000 18.070) 31.754 10.605 ( -10.398 0.000 3.822) 11.078 10.647 ( -14.701 0.000 -7.059) 16.308 10.976 ( -2.863 0.000 -16.322) 16.571 11.073 ( -6.416 0.000 8.982) 11.038 11.382 ( -0.562 0.000 -20.848) 20.856 11.829 ( 0.443 0.000 6.768) 6.782 12.037 ( 1.135 0.000 -12.696) 12.746 12.391 ( 7.863 0.000 -1.284) 7.967 12.393 ( 10.327 0.000 -1.949) 10.509 12.608 ( -1.584 0.000 14.813) 14.897 12.686 ( 1.358 0.000 12.226) 12.301 12.869 ( -0.372 0.000 -7.068) 7.078 12.930 ( 1.269 0.000 -10.616) 10.692 13.472 ( -4.030 0.000 5.389) 6.729 13.490 ( -1.565 0.000 2.910) 3.304 13.644 ( -3.793 0.000 0.642) 3.847 13.795 ( 7.156 0.000 -9.001) 11.499 14.300 ( -11.949 0.000 2.655) 12.241 14.393 ( -11.554 0.000 -5.557) 12.820 14.973 ( -4.807 0.000 1.006) 4.911 15.008 ( -4.179 0.000 -2.898) 5.086 15.686 ( 1.710 0.000 3.786) 4.154 15.761 ( 2.888 0.000 -3.272) 4.364 16.096 ( -0.299 0.000 15.034) 15.037 16.345 ( -6.988 0.000 -5.472) 8.876 16.760 ( -0.484 0.000 -0.464) 0.670 16.840 ( -0.406 0.000 -3.183) 3.209 16.941 ( -2.352 0.000 -2.173) 3.202 17.044 ( -9.766 0.000 -13.403) 16.584 21.528 ( 18.259 0.000 33.803) 38.419 22.215 ( 12.914 0.000 -29.793) 32.471 22.656 ( 15.524 0.000 12.731) 20.077 22.911 ( 13.507 0.000 -9.170) 16.325 23.474 ( -21.440 0.000 16.443) 27.019 23.823 ( -18.428 0.000 -9.042) 20.527 23.928 ( -11.042 0.000 -1.153) 11.102 24.067 ( -10.988 0.000 -6.196) 12.615 ======================= Grid point 224 (77/90) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 7.976 0.000 13.978) 16.093 3.534 ( 16.376 0.000 2.909) 16.632 3.800 ( -2.565 0.000 5.976) 6.503 3.978 ( 13.765 0.000 -0.205) 13.766 4.081 ( 2.886 0.000 -10.870) 11.246 4.092 ( -11.451 0.000 -14.500) 18.476 4.440 ( -9.125 0.000 8.308) 12.341 4.599 ( -2.017 0.000 -6.312) 6.627 5.223 ( 16.752 0.000 5.417) 17.606 5.414 ( -2.554 0.000 -11.664) 11.941 5.718 ( -9.195 0.000 9.476) 13.203 5.988 ( -17.692 0.000 -15.542) 23.549 6.386 ( 6.806 0.000 11.848) 13.664 6.523 ( -2.229 0.000 7.030) 7.375 6.567 ( -0.517 0.000 -3.310) 3.350 6.592 ( -2.885 0.000 0.461) 2.922 7.140 ( 10.625 0.000 4.309) 11.465 7.232 ( 10.101 0.000 -1.813) 10.263 7.563 ( 14.638 0.000 6.337) 15.951 7.612 ( 6.405 0.000 0.639) 6.437 7.662 ( -15.565 0.000 27.584) 31.672 8.119 ( -9.220 0.000 -6.865) 11.495 8.226 ( -7.028 0.000 6.047) 9.271 8.296 ( -11.373 0.000 -1.973) 11.543 8.440 ( 20.062 0.000 6.792) 21.180 8.506 ( 10.919 0.000 1.772) 11.062 9.009 ( 5.854 0.000 16.025) 17.061 9.038 ( 15.908 0.000 8.453) 18.014 9.327 ( -0.031 0.000 2.328) 2.328 9.357 ( -9.465 0.000 -6.549) 11.510 9.493 ( -5.248 0.000 -8.575) 10.054 9.585 ( -4.649 0.000 9.074) 10.196 9.890 ( 6.778 0.000 -9.056) 11.312 10.001 ( -18.185 0.000 -20.472) 27.382 10.066 ( 0.608 0.000 4.727) 4.766 10.241 ( -10.172 0.000 -10.946) 14.943 10.621 ( 1.534 0.000 15.535) 15.610 10.918 ( -10.329 0.000 12.527) 16.236 10.987 ( 4.137 0.000 -18.314) 18.776 11.291 ( -7.884 0.000 -22.305) 23.657 11.954 ( 12.644 0.000 1.974) 12.798 12.071 ( 4.656 0.000 -10.027) 11.055 12.458 ( -10.068 0.000 7.685) 12.666 12.557 ( -10.236 0.000 0.478) 10.247 12.669 ( 14.039 0.000 4.369) 14.703 12.678 ( 12.885 0.000 2.029) 13.044 12.954 ( 4.957 0.000 -2.863) 5.725 12.971 ( 0.024 0.000 -3.330) 3.330 13.389 ( -3.316 0.000 7.594) 8.287 13.513 ( 5.347 0.000 -5.937) 7.990 13.555 ( -5.866 0.000 14.667) 15.796 13.903 ( -4.679 0.000 -15.050) 15.761 14.185 ( 8.627 0.000 4.974) 9.958 14.301 ( 3.329 0.000 -5.962) 6.829 14.784 ( -13.368 0.000 1.509) 13.453 14.835 ( -13.210 0.000 -3.417) 13.645 15.781 ( 7.118 0.000 4.336) 8.335 15.851 ( 5.675 0.000 -2.304) 6.125 16.058 ( -3.585 0.000 9.728) 10.367 16.156 ( -11.160 0.000 1.593) 11.274 16.777 ( 1.938 0.000 -6.025) 6.329 16.819 ( -1.155 0.000 -6.230) 6.337 16.888 ( -3.074 0.000 -5.109) 5.962 16.891 ( -5.637 0.000 -8.255) 9.996 21.932 ( 22.956 0.000 29.459) 37.347 22.505 ( 16.472 0.000 -22.113) 27.573 22.899 ( -21.634 0.000 14.247) 25.904 22.916 ( 8.312 0.000 7.907) 11.472 23.300 ( 10.875 0.000 -1.310) 10.954 23.486 ( -13.189 0.000 -12.271) 18.014 23.698 ( -12.325 0.000 0.483) 12.334 23.834 ( -12.896 0.000 -6.503) 14.443 ======================= Grid point 225 (78/90) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -9.411 0.000 12.030) 15.273 3.643 ( 9.411 0.000 12.030) 15.273 3.844 ( -14.516 0.000 -5.356) 15.472 3.844 ( 14.516 0.000 -5.356) 15.472 4.214 ( -10.691 0.000 1.828) 10.846 4.214 ( 10.691 0.000 1.828) 10.846 4.357 ( -19.478 0.000 -10.093) 21.937 4.357 ( 19.478 0.000 -10.093) 21.937 5.518 ( -10.459 0.000 1.758) 10.606 5.518 ( 10.459 0.000 1.758) 10.606 5.609 ( -20.930 0.000 -6.130) 21.810 5.609 ( 20.930 0.000 -6.130) 21.810 6.475 ( -2.880 0.000 8.046) 8.546 6.475 ( 2.880 0.000 8.046) 8.546 6.552 ( -0.596 0.000 1.609) 1.716 6.552 ( 0.596 0.000 1.609) 1.716 7.366 ( -12.298 0.000 9.781) 15.713 7.366 ( 12.298 0.000 9.781) 15.713 7.497 ( -14.961 0.000 -1.661) 15.053 7.497 ( 14.961 0.000 -1.661) 15.053 7.976 ( -20.773 0.000 6.578) 21.789 7.976 ( 20.773 0.000 6.578) 21.789 8.080 ( -6.461 0.000 -0.949) 6.531 8.080 ( 6.461 0.000 -0.949) 6.531 8.813 ( -22.208 0.000 13.933) 26.217 8.813 ( 22.208 0.000 13.933) 26.217 8.905 ( -20.166 0.000 10.849) 22.899 8.905 ( 20.166 0.000 10.849) 22.899 9.300 ( -12.730 0.000 -4.638) 13.549 9.300 ( 12.730 0.000 -4.638) 13.549 9.496 ( -4.210 0.000 -17.161) 17.670 9.496 ( 4.210 0.000 -17.161) 17.670 10.013 ( -12.098 0.000 -1.416) 12.181 10.013 ( 12.098 0.000 -1.416) 12.181 10.018 ( -5.329 0.000 -2.332) 5.817 10.018 ( 5.329 0.000 -2.332) 5.817 10.719 ( -8.525 0.000 13.939) 16.339 10.719 ( 8.525 0.000 13.939) 16.339 11.119 ( -8.653 0.000 -22.187) 23.815 11.119 ( 8.653 0.000 -22.187) 23.815 12.233 ( -11.236 0.000 0.156) 11.237 12.233 ( 11.236 0.000 0.156) 11.237 12.265 ( -17.207 0.000 -1.115) 17.244 12.265 ( 17.208 0.000 -1.115) 17.244 12.888 ( -8.046 0.000 1.371) 8.162 12.888 ( 8.046 0.000 1.371) 8.162 12.921 ( -8.968 0.000 -1.133) 9.039 12.921 ( 8.968 0.000 -1.133) 9.039 13.421 ( -6.384 0.000 14.688) 16.015 13.421 ( 6.384 0.000 14.688) 16.015 13.695 ( -11.933 0.000 -10.775) 16.078 13.695 ( 11.933 0.000 -10.775) 16.078 14.497 ( -14.531 0.000 -0.756) 14.551 14.497 ( 14.531 0.000 -0.756) 14.551 14.512 ( -18.987 0.000 -1.914) 19.083 14.512 ( 18.987 0.000 -1.914) 19.083 15.947 ( -9.793 0.000 3.646) 10.450 15.947 ( 9.793 0.000 3.646) 10.450 15.965 ( -5.649 0.000 2.133) 6.038 15.965 ( 5.649 0.000 2.133) 6.038 16.821 ( -1.702 0.000 -6.275) 6.501 16.821 ( 1.702 0.000 -6.275) 6.501 16.827 ( -3.014 0.000 -6.479) 7.146 16.827 ( 3.014 0.000 -6.479) 7.146 22.411 ( -25.704 0.000 24.177) 35.288 22.411 ( 25.704 0.000 24.177) 35.288 22.829 ( -14.940 0.000 -11.105) 18.615 22.829 ( 14.940 0.000 -11.105) 18.615 23.469 ( -9.561 0.000 -1.702) 9.712 23.469 ( 9.561 0.000 -1.702) 9.712 23.568 ( -14.265 0.000 -6.018) 15.483 23.568 ( 14.265 0.000 -6.018) 15.483 ======================= Grid point 231 (79/90) ======================= q-point: ( 0.00 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 0.000 10.853 22.068) 24.593 3.378 ( 0.000 11.385 14.173) 18.179 3.604 ( 0.000 7.050 -13.451) 15.186 3.609 ( 0.000 16.092 5.653) 17.056 3.797 ( 0.000 1.412 18.812) 18.865 4.125 ( 0.000 -0.486 6.359) 6.377 4.303 ( 0.000 5.510 -9.444) 10.934 4.474 ( 0.000 -11.139 -32.480) 34.337 5.085 ( 0.000 17.125 13.072) 21.544 5.527 ( 0.000 29.220 -29.199) 41.309 6.131 ( 0.000 1.873 17.059) 17.162 6.370 ( 0.000 0.493 -4.484) 4.511 6.518 ( 0.000 1.384 47.703) 47.723 6.684 ( 0.000 -4.011 6.737) 7.841 6.689 ( 0.000 7.727 22.901) 24.169 6.777 ( 0.000 -4.989 -1.176) 5.126 6.848 ( 0.000 16.400 -7.751) 18.140 7.179 ( 0.000 -17.434 27.957) 32.948 7.597 ( 0.000 -7.195 -9.311) 11.767 7.651 ( 0.000 -22.626 12.697) 25.945 7.747 ( 0.000 -16.983 9.208) 19.319 7.792 ( 0.000 -10.863 -40.911) 42.328 7.881 ( 0.000 -4.288 5.280) 6.802 8.131 ( 0.000 -5.524 -6.576) 8.588 8.362 ( 0.000 2.763 -2.972) 4.059 8.509 ( 0.000 8.027 -2.862) 8.522 8.625 ( 0.000 1.796 9.841) 10.004 8.771 ( 0.000 6.385 -9.079) 11.099 8.816 ( 0.000 3.360 -4.678) 5.760 8.893 ( 0.000 -4.178 12.998) 13.653 9.046 ( 0.000 -0.065 -26.152) 26.152 9.155 ( 0.000 8.273 8.923) 12.168 9.275 ( 0.000 -1.783 -17.462) 17.553 9.443 ( 0.000 19.076 -15.577) 24.628 10.456 ( 0.000 -20.178 20.769) 28.957 10.864 ( 0.000 -1.549 -5.806) 6.009 11.079 ( 0.000 -10.129 3.017) 10.569 11.382 ( 0.000 0.952 -11.949) 11.987 11.526 ( 0.000 0.121 3.593) 3.595 11.601 ( 0.000 2.331 -4.091) 4.709 11.614 ( 0.000 6.846 8.219) 10.697 11.807 ( 0.000 8.930 -6.706) 11.167 12.266 ( 0.000 -11.842 22.077) 25.053 12.622 ( 0.000 -8.293 -9.137) 12.339 12.890 ( 0.000 -1.779 0.403) 1.824 12.978 ( 0.000 4.194 -1.189) 4.359 13.132 ( 0.000 -5.222 10.010) 11.291 13.375 ( 0.000 -1.352 -12.184) 12.259 13.576 ( 0.000 2.545 2.800) 3.784 13.588 ( 0.000 0.698 -3.541) 3.609 13.680 ( 0.000 -1.967 -6.740) 7.021 13.693 ( 0.000 2.002 -10.545) 10.734 14.529 ( 0.000 -0.366 10.611) 10.618 14.738 ( 0.000 5.688 -10.226) 11.701 14.866 ( 0.000 9.670 9.880) 13.825 15.048 ( 0.000 -7.369 -6.079) 9.553 15.914 ( 0.000 5.330 4.467) 6.954 16.095 ( 0.000 0.211 3.480) 3.487 16.139 ( 0.000 1.204 -0.454) 1.287 16.161 ( 0.000 -2.177 -19.166) 19.289 16.666 ( 0.000 1.130 2.671) 2.901 16.731 ( 0.000 1.316 -3.470) 3.711 17.081 ( 0.000 -8.280 18.184) 19.980 17.431 ( 0.000 -6.660 -16.489) 17.784 21.073 ( 0.000 8.163 38.787) 39.637 21.885 ( 0.000 4.586 -40.090) 40.351 21.918 ( 0.000 -11.028 23.013) 25.519 22.298 ( 0.000 -4.321 -14.034) 14.684 24.231 ( 0.000 3.457 4.906) 6.002 24.382 ( 0.000 5.578 -9.825) 11.297 24.447 ( 0.000 0.025 2.444) 2.444 24.521 ( 0.000 4.655 -4.902) 6.760 ======================= Grid point 232 (80/90) ======================= q-point: ( 0.10 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 0.205 16.494 18.179) 24.547 3.394 ( 0.758 13.069 6.174) 14.473 3.667 ( 6.838 3.966 19.847) 21.363 3.740 ( -0.607 6.496 8.209) 10.486 3.781 ( 10.560 6.624 -4.766) 13.345 4.157 ( 2.691 -1.200 7.166) 7.748 4.326 ( 1.947 4.492 -11.805) 12.780 4.477 ( -0.721 -9.152 -33.372) 34.612 5.052 ( -1.983 12.052 13.867) 18.479 5.486 ( -2.444 22.921 -26.756) 35.316 6.113 ( -2.185 0.087 18.275) 18.405 6.364 ( -1.023 0.069 -2.685) 2.874 6.624 ( 0.439 9.421 11.184) 14.629 6.643 ( -3.514 -5.915 8.972) 11.306 6.683 ( -1.068 -8.231 14.537) 16.740 6.772 ( 7.596 0.506 35.731) 36.533 6.846 ( 0.281 15.743 -4.970) 16.511 7.049 ( -5.441 -11.933 15.878) 20.593 7.381 ( -18.734 -14.250 -14.376) 27.581 7.640 ( -5.552 -12.040 -4.525) 14.009 7.802 ( -9.443 1.056 0.780) 9.534 7.843 ( 9.361 -6.460 11.422) 16.119 7.913 ( -4.942 -2.405 -16.004) 16.921 8.128 ( 10.766 -3.212 14.136) 18.057 8.229 ( 5.709 -6.504 -16.214) 18.379 8.455 ( 7.306 7.828 -7.542) 13.098 8.596 ( -4.520 -2.374 10.622) 11.785 8.760 ( -0.391 6.992 -10.822) 12.890 8.919 ( 3.989 -1.804 2.306) 4.948 9.110 ( 3.549 1.302 4.949) 6.227 9.218 ( 9.813 -0.487 -15.304) 18.187 9.393 ( 13.861 -0.342 -2.388) 14.070 9.438 ( 26.934 4.602 -4.852) 27.752 9.623 ( 17.238 10.971 -11.879) 23.635 10.521 ( 7.148 -12.186 14.201) 20.031 10.815 ( -4.807 7.032 4.621) 9.691 10.934 ( -12.390 -14.345 -2.550) 19.125 11.230 ( -11.885 0.649 -13.221) 17.789 11.510 ( -1.180 1.812 4.386) 4.891 11.603 ( -3.748 9.139 -1.605) 10.008 11.671 ( 4.299 -5.854 0.013) 7.264 11.794 ( -0.558 2.504 -4.193) 4.915 12.194 ( -7.218 -12.181 20.210) 24.677 12.538 ( -8.903 -6.889 -11.165) 15.855 12.821 ( -8.635 -2.218 1.027) 8.975 12.893 ( -7.091 -1.212 -1.283) 7.307 12.966 ( -9.986 -5.313 5.281) 12.483 13.141 ( -15.733 -2.033 -11.073) 19.346 13.581 ( 1.731 4.129 2.877) 5.322 13.677 ( 3.272 4.379 -4.266) 6.935 13.730 ( 4.876 5.619 -3.777) 8.343 13.778 ( 4.900 4.401 -6.066) 8.954 14.589 ( 0.660 -2.941 6.630) 7.283 14.716 ( -1.734 -0.686 -4.202) 4.597 14.903 ( 2.172 7.032 3.772) 8.270 15.015 ( -0.674 -1.454 -4.504) 4.780 15.867 ( -4.750 4.502 2.388) 6.966 15.938 ( -9.720 2.300 -2.073) 10.201 16.090 ( -1.362 -0.250 5.594) 5.763 16.288 ( 5.291 -2.969 -14.863) 16.054 16.700 ( 2.378 -0.923 2.990) 3.930 16.757 ( 2.073 0.482 -2.558) 3.328 17.038 ( -3.955 -6.816 14.898) 16.854 17.366 ( -6.294 -5.881 -16.572) 18.677 21.137 ( 6.583 8.422 38.133) 39.603 21.927 ( 4.501 3.347 -32.285) 32.769 22.010 ( 8.908 -9.417 15.717) 20.373 22.378 ( 7.970 -4.434 -13.933) 16.653 24.153 ( -8.214 3.787 6.490) 11.132 24.308 ( -6.914 3.653 -5.867) 9.776 24.402 ( -5.013 1.082 -1.925) 5.478 24.445 ( -7.531 4.449 -4.723) 9.941 ======================= Grid point 233 (81/90) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 5.383 17.908 13.338) 22.969 3.458 ( 6.221 15.808 -1.748) 17.078 3.585 ( -4.992 4.447 30.356) 31.084 3.960 ( 6.174 -0.163 2.369) 6.615 3.992 ( 14.136 2.716 -4.283) 15.018 4.211 ( 3.868 -1.184 7.203) 8.261 4.360 ( 0.630 -0.095 -23.561) 23.570 4.421 ( -3.314 -1.801 -18.583) 18.962 5.042 ( 0.771 6.069 17.473) 18.513 5.501 ( 4.360 11.324 -23.565) 26.505 6.050 ( -3.947 -1.695 18.448) 18.941 6.338 ( -1.217 0.894 0.133) 1.516 6.467 ( -10.989 -5.806 10.807) 16.470 6.623 ( 0.207 3.163 0.645) 3.235 6.644 ( 0.365 -3.545 7.121) 7.963 6.808 ( -2.423 13.849 -10.235) 17.391 6.925 ( -9.821 -8.687 -5.900) 14.378 6.967 ( -8.401 -8.047 -5.232) 12.755 7.220 ( 14.790 1.512 35.741) 38.710 7.469 ( -1.970 -4.077 8.740) 9.843 7.557 ( -10.347 -0.675 0.169) 10.370 7.966 ( 10.013 2.657 -13.889) 17.327 8.142 ( 16.708 0.026 17.014) 23.846 8.372 ( 6.988 -2.510 6.375) 9.786 8.382 ( 4.543 -4.483 0.667) 6.417 8.543 ( 1.975 -2.750 15.940) 16.296 8.644 ( 3.031 5.251 -12.625) 14.005 8.784 ( 6.013 2.879 -11.322) 13.139 8.977 ( 4.935 -2.274 -1.225) 5.571 9.116 ( -0.704 3.054 -1.043) 3.303 9.399 ( 8.098 -2.954 -5.927) 10.461 9.562 ( 6.717 -2.364 -13.596) 15.348 9.863 ( 5.776 6.827 8.458) 12.309 10.022 ( 23.559 4.824 -5.000) 24.562 10.570 ( -16.874 -3.935 15.691) 23.375 10.725 ( 3.851 4.223 7.422) 9.367 10.784 ( 0.143 -4.407 -6.408) 7.778 10.990 ( -12.262 -3.371 -15.918) 20.374 11.428 ( -6.355 5.507 -1.586) 8.557 11.478 ( -8.098 8.908 -6.879) 13.865 11.765 ( 7.720 -12.813 1.380) 15.023 11.818 ( 3.074 -5.591 -2.573) 6.880 12.022 ( -7.673 -11.872 14.529) 20.270 12.324 ( -9.768 -6.524 -13.508) 17.901 12.625 ( -7.689 -4.409 5.463) 10.412 12.732 ( -7.283 -2.545 -2.158) 8.010 12.854 ( -3.406 -5.753 -0.773) 6.730 12.947 ( -4.858 -2.581 -8.446) 10.080 13.593 ( -0.895 7.366 4.762) 8.817 13.707 ( 0.639 5.189 -2.409) 5.756 13.820 ( 3.371 13.396 -2.968) 14.129 13.848 ( 2.415 11.083 -3.245) 11.798 14.458 ( -11.546 -2.943 5.327) 13.051 14.599 ( -10.915 -6.687 -7.613) 14.894 14.945 ( 1.624 -0.046 5.666) 5.894 15.048 ( 0.532 0.577 -3.677) 3.760 15.762 ( -4.588 3.831 1.669) 6.206 15.804 ( -2.940 4.395 -1.723) 5.561 16.082 ( 0.398 -0.521 11.341) 11.360 16.360 ( 1.845 -3.756 -14.621) 15.208 16.718 ( -1.078 -3.955 5.639) 6.972 16.783 ( 0.320 -2.733 -0.428) 2.785 16.957 ( -3.613 -3.683 3.950) 6.498 17.205 ( -9.688 -4.214 -16.465) 19.563 21.328 ( 12.891 8.960 36.239) 39.493 22.060 ( 9.123 3.858 -27.143) 28.894 22.246 ( 14.734 -8.728 12.183) 21.017 22.590 ( 13.147 -4.542 -13.567) 19.431 23.908 ( -16.642 4.386 10.918) 20.381 24.137 ( -10.293 1.029 -1.936) 10.524 24.210 ( -14.602 3.821 -7.171) 16.711 24.279 ( -9.153 1.636 -4.771) 10.451 ======================= Grid point 234 (82/90) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 5.762 9.804 12.479) 16.883 3.543 ( 4.020 14.012 5.588) 15.611 3.651 ( 10.176 5.692 7.804) 14.030 3.998 ( -0.834 1.103 8.636) 8.746 4.097 ( 0.025 0.935 -16.479) 16.505 4.236 ( -7.458 -3.168 -13.533) 15.773 4.415 ( 11.330 0.222 0.601) 11.348 4.514 ( 8.593 2.305 -5.147) 10.279 5.068 ( 2.556 3.993 22.892) 23.378 5.579 ( 0.599 6.537 -23.651) 24.545 5.938 ( -8.555 -0.155 16.841) 18.890 6.297 ( -7.846 -2.508 -12.480) 14.953 6.333 ( 0.810 4.065 12.989) 13.635 6.548 ( -7.377 0.828 -1.460) 7.565 6.646 ( 0.081 3.946 -2.560) 4.704 6.665 ( -0.651 5.084 -4.340) 6.716 6.885 ( 6.434 -5.204 6.162) 10.317 7.025 ( 4.835 -5.524 -4.356) 8.536 7.275 ( 0.793 -7.027 10.855) 12.956 7.435 ( 2.760 -2.012 -5.490) 6.465 7.773 ( 13.995 -3.172 23.002) 27.111 8.113 ( 1.268 2.610 12.010) 12.355 8.271 ( -4.210 -2.594 -6.084) 7.840 8.391 ( 3.893 6.504 15.309) 17.083 8.479 ( -1.121 -2.456 3.025) 4.054 8.523 ( -3.875 5.940 -5.737) 9.122 8.730 ( 13.466 4.248 17.257) 22.298 8.903 ( 3.372 -0.836 3.629) 5.024 9.097 ( 4.490 -5.142 -9.268) 11.510 9.220 ( 11.497 1.656 -16.859) 20.473 9.458 ( -2.731 -7.428 3.014) 8.469 9.680 ( 4.882 -7.087 -14.188) 16.594 9.911 ( -1.707 2.542 15.562) 15.860 10.142 ( -18.989 -2.718 11.829) 22.537 10.248 ( -0.643 4.034 -14.648) 15.207 10.524 ( -25.749 -6.702 -19.799) 33.165 10.757 ( 1.622 12.327 15.695) 20.023 10.953 ( 4.542 1.831 -0.941) 4.987 11.290 ( -6.493 14.100 -3.158) 15.841 11.427 ( 1.187 3.108 -13.427) 13.833 11.853 ( 2.762 1.260 4.125) 5.122 11.951 ( 6.534 -10.782 -3.824) 13.174 12.071 ( 13.244 -14.090 5.755) 20.175 12.263 ( 4.212 -8.496 -11.861) 15.185 12.554 ( -0.194 -7.275 10.958) 13.154 12.659 ( -0.713 -4.046 4.810) 6.326 12.794 ( -2.599 -5.346 -6.354) 8.701 12.891 ( -1.458 -4.195 -13.831) 14.526 13.556 ( -2.273 8.390 8.406) 12.092 13.719 ( 0.171 3.291 -3.551) 4.844 13.856 ( 0.650 21.516 0.128) 21.527 13.880 ( 1.338 12.819 -1.301) 12.955 14.218 ( -11.075 -5.681 5.097) 13.451 14.370 ( -10.853 -4.468 -8.851) 14.700 14.891 ( -7.375 -5.964 4.496) 10.497 14.975 ( -7.942 -4.880 -3.311) 9.892 15.732 ( 1.904 4.689 4.152) 6.546 15.823 ( 3.885 5.800 -4.040) 8.065 16.090 ( 0.062 -0.635 13.070) 13.086 16.331 ( -5.470 -1.651 -6.095) 8.355 16.684 ( -0.917 -5.861 1.560) 6.135 16.775 ( -0.991 -5.263 -1.678) 5.612 16.896 ( -3.260 -3.279 -4.993) 6.805 17.011 ( -9.517 -3.038 -14.895) 17.935 21.635 ( 18.381 9.341 33.254) 39.128 22.281 ( 13.495 4.905 -21.696) 26.017 22.560 ( 16.882 -7.601 9.476) 20.798 22.868 ( 14.620 -4.052 -12.696) 19.783 23.525 ( -21.770 4.825 16.288) 27.613 23.873 ( -18.965 3.185 -3.964) 19.635 23.914 ( -12.647 -0.848 -5.242) 13.717 24.073 ( -11.864 0.289 -7.243) 13.903 ======================= Grid point 235 (83/90) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 6.044 4.041 13.620) 15.439 3.685 ( 7.707 6.047 -0.498) 9.809 3.759 ( -0.953 -1.537 0.145) 1.814 4.012 ( -6.949 -5.044 -16.076) 18.225 4.060 ( 8.581 9.688 8.856) 15.681 4.248 ( 9.523 11.980 -6.518) 16.635 4.492 ( -5.612 4.248 8.006) 10.660 4.620 ( 0.930 1.152 -4.087) 4.347 5.230 ( 14.775 1.928 11.539) 18.846 5.519 ( -2.949 7.232 -15.353) 17.226 5.740 ( -10.746 0.496 12.310) 16.348 6.012 ( -18.083 0.205 -13.111) 22.336 6.442 ( 6.209 5.709 12.508) 15.087 6.518 ( 0.598 1.148 10.271) 10.352 6.657 ( 0.399 6.533 -3.686) 7.512 6.664 ( -0.339 7.840 -6.056) 9.913 7.059 ( 11.219 -8.747 5.736) 15.339 7.126 ( 6.519 -4.025 -0.848) 7.708 7.394 ( 9.388 -11.880 11.165) 18.813 7.580 ( 0.878 -5.983 -5.993) 8.514 7.713 ( -2.007 3.461 16.050) 16.541 8.127 ( -10.038 -1.163 -10.999) 14.936 8.276 ( -5.531 1.098 4.529) 7.233 8.290 ( 6.019 2.202 5.427) 8.398 8.480 ( 7.322 0.509 5.295) 9.050 8.573 ( 2.612 8.993 -1.342) 9.460 8.927 ( -2.496 -7.405 10.492) 13.082 8.997 ( 9.351 -2.146 20.576) 22.703 9.130 ( -9.391 -13.249 17.381) 23.787 9.256 ( -1.078 -8.846 -14.587) 17.093 9.445 ( 1.320 -3.980 -14.094) 14.704 9.581 ( -15.503 -7.789 -16.944) 24.251 9.821 ( 3.353 1.885 7.171) 8.138 10.012 ( -1.823 0.840 0.831) 2.173 10.097 ( -6.640 1.199 -10.764) 12.704 10.213 ( -6.893 -1.856 -10.497) 12.694 10.796 ( 3.066 14.882 17.085) 22.864 10.996 ( -1.974 8.891 9.403) 13.091 11.217 ( 0.357 15.568 -11.440) 19.322 11.405 ( -3.613 8.507 -17.658) 19.931 11.983 ( 9.883 2.779 1.930) 10.446 12.072 ( 6.575 -2.122 -4.459) 8.223 12.283 ( 3.953 -11.055 5.457) 12.947 12.394 ( 4.949 -11.039 -4.887) 13.047 12.554 ( -0.104 -5.857 10.355) 11.898 12.692 ( 3.903 -6.347 2.939) 8.009 12.783 ( 1.684 -3.841 -5.216) 6.693 12.889 ( 0.980 -9.160 -17.396) 19.685 13.534 ( 0.630 8.626 12.773) 15.426 13.677 ( -4.094 10.698 4.968) 12.486 13.813 ( -4.132 16.025 -2.017) 16.671 13.907 ( -3.118 2.893 -7.934) 9.002 14.145 ( 7.797 -2.735 4.570) 9.442 14.261 ( 1.959 -4.036 -6.707) 8.069 14.683 ( -13.134 -7.664 3.389) 15.580 14.755 ( -14.203 -7.157 -3.288) 16.241 15.820 ( 6.555 3.826 5.296) 9.255 15.918 ( 5.185 5.499 -3.446) 8.306 16.073 ( -2.010 1.059 9.324) 9.597 16.168 ( -10.027 1.102 1.976) 10.279 16.699 ( 2.021 -6.334 -5.313) 8.510 16.753 ( -0.782 -5.767 -5.304) 7.875 16.816 ( -4.726 -4.761 -8.160) 10.563 16.860 ( -5.680 -3.424 -10.235) 12.196 22.037 ( 22.667 9.162 29.351) 38.200 22.580 ( 16.761 5.798 -15.627) 23.638 22.871 ( 13.317 -4.280 6.919) 15.606 22.969 ( -17.648 5.552 11.505) 21.786 23.256 ( 7.781 -2.999 -1.297) 8.439 23.504 ( -17.056 1.574 -8.758) 19.238 23.655 ( -13.570 -3.639 -2.554) 14.280 23.822 ( -13.748 -1.316 -8.887) 16.423 ======================= Grid point 236 (84/90) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -7.371 0.639 10.211) 12.609 3.631 ( 7.371 0.639 10.211) 12.609 3.865 ( -7.737 -1.175 -11.981) 14.311 3.865 ( 7.737 -1.175 -11.981) 14.311 4.286 ( -12.573 9.337 11.217) 19.264 4.286 ( 12.573 9.337 11.217) 19.264 4.496 ( -12.490 8.543 -8.201) 17.212 4.496 ( 12.490 8.543 -8.201) 17.212 5.526 ( -11.341 1.122 4.580) 12.282 5.526 ( 11.341 1.122 4.580) 12.282 5.643 ( -17.232 1.727 -5.344) 18.124 5.643 ( 17.232 1.727 -5.344) 18.124 6.514 ( -1.561 4.993 10.840) 12.036 6.514 ( 1.561 4.993 10.840) 12.036 6.656 ( -0.063 8.915 -2.867) 9.365 6.656 ( 0.063 8.915 -2.867) 9.365 7.251 ( -0.144 -7.788 10.235) 12.862 7.251 ( 0.144 -7.788 10.235) 12.862 7.428 ( -3.375 -6.449 -6.873) 10.011 7.428 ( 3.375 -6.449 -6.873) 10.011 7.958 ( -15.945 -0.162 13.745) 21.053 7.958 ( 15.945 -0.162 13.745) 21.053 8.222 ( -10.586 4.709 -8.152) 14.167 8.222 ( 10.586 4.709 -8.152) 14.167 8.664 ( -12.605 -7.213 12.691) 19.286 8.664 ( 12.605 -7.213 12.691) 19.286 8.892 ( -23.866 -4.940 -4.843) 24.848 8.892 ( 23.866 -4.940 -4.843) 24.848 9.106 ( -0.763 -10.043 10.757) 14.736 9.106 ( 0.763 -10.043 10.757) 14.736 9.465 ( -4.205 -4.521 -17.619) 18.670 9.465 ( 4.205 -4.521 -17.619) 18.670 9.977 ( -8.520 0.350 3.005) 9.042 9.977 ( 8.520 0.350 3.005) 9.042 10.070 ( -4.590 1.004 -6.233) 7.806 10.070 ( 4.590 1.004 -6.233) 7.806 10.891 ( -6.435 14.324 17.029) 23.164 10.891 ( 6.435 14.324 17.029) 23.164 11.301 ( -6.261 13.544 -19.015) 24.170 11.301 ( 6.261 13.544 -19.015) 24.170 12.157 ( -5.073 -4.430 5.896) 8.951 12.157 ( 5.073 -4.430 5.896) 8.951 12.307 ( -8.047 0.755 -7.248) 10.856 12.307 ( 8.047 0.755 -7.248) 10.856 12.665 ( -6.614 -10.855 7.520) 14.769 12.665 ( 6.614 -10.855 7.520) 14.769 12.869 ( -4.143 -6.904 -11.540) 14.071 12.869 ( 4.143 -6.904 -11.540) 14.071 13.587 ( -4.482 10.630 12.783) 17.219 13.587 ( 4.482 10.630 12.783) 17.219 13.801 ( -4.019 6.688 -7.482) 10.810 13.801 ( 4.019 6.688 -7.482) 10.810 14.410 ( -11.936 -6.490 0.987) 13.622 14.410 ( 11.936 -6.490 0.987) 13.622 14.445 ( -13.923 -5.354 -2.557) 15.134 14.445 ( 13.923 -5.354 -2.557) 15.134 15.975 ( -8.944 2.640 4.646) 10.419 15.975 ( 8.944 2.640 4.646) 10.419 16.012 ( -3.922 3.829 1.683) 5.734 16.012 ( 3.922 3.829 1.683) 5.734 16.743 ( -2.430 -5.923 -6.229) 8.932 16.743 ( 2.430 -5.923 -6.229) 8.932 16.774 ( -3.150 -4.821 -8.793) 10.511 16.774 ( 3.150 -4.821 -8.793) 10.511 22.506 ( -24.932 8.223 24.378) 35.827 22.506 ( 24.932 8.223 24.378) 35.827 22.899 ( -12.769 5.334 -6.368) 15.233 22.899 ( 12.769 5.334 -6.368) 15.233 23.385 ( -6.669 -6.092 -1.451) 9.148 23.385 ( 6.669 -6.092 -1.451) 9.148 23.550 ( -12.611 -2.569 -10.788) 16.793 23.550 ( 12.611 -2.569 -10.788) 16.793 ======================= Grid point 242 (85/90) ======================= q-point: ( 0.00 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 0.000 8.611 18.918) 20.786 3.562 ( 0.000 0.913 19.330) 19.352 3.753 ( 0.000 5.365 -4.278) 6.862 3.788 ( 0.000 3.327 23.682) 23.915 3.956 ( 0.000 8.423 -9.170) 12.451 4.095 ( 0.000 -3.437 9.238) 9.857 4.385 ( 0.000 2.367 -23.208) 23.329 4.408 ( 0.000 2.535 -15.010) 15.223 5.575 ( 0.000 25.229 27.430) 37.268 6.047 ( 0.000 -13.940 26.857) 30.259 6.151 ( 0.000 23.716 -24.361) 33.999 6.386 ( 0.000 -1.005 -6.312) 6.391 6.601 ( 0.000 4.759 36.962) 37.267 6.620 ( 0.000 -2.406 9.005) 9.321 6.684 ( 0.000 -0.028 26.650) 26.650 6.723 ( 0.000 4.566 -0.092) 4.567 7.081 ( 0.000 -10.543 -14.938) 18.284 7.095 ( 0.000 -23.450 14.367) 27.501 7.136 ( 0.000 10.428 9.640) 14.201 7.377 ( 0.000 -14.077 -3.504) 14.506 7.441 ( 0.000 8.636 -12.683) 15.344 7.635 ( 0.000 1.917 -41.764) 41.808 7.749 ( 0.000 -12.509 -1.008) 12.550 7.891 ( 0.000 -15.069 -11.654) 19.049 8.436 ( 0.000 6.613 12.002) 13.704 8.594 ( 0.000 -5.588 17.211) 18.095 8.667 ( 0.000 6.387 3.335) 7.206 8.791 ( 0.000 -4.999 7.009) 8.609 8.900 ( 0.000 6.452 -10.694) 12.490 9.006 ( 0.000 -3.248 -13.720) 14.099 9.015 ( 0.000 10.340 -16.331) 19.329 9.200 ( 0.000 -5.914 -18.990) 19.889 9.435 ( 0.000 17.517 20.062) 26.633 9.903 ( 0.000 22.985 -21.692) 31.605 9.918 ( 0.000 -25.877 23.123) 34.703 10.441 ( 0.000 -25.718 -24.168) 35.292 11.217 ( 0.000 12.882 15.656) 20.275 11.449 ( 0.000 4.961 -2.840) 5.716 11.472 ( 0.000 -7.448 5.254) 9.115 11.563 ( 0.000 -5.222 -1.098) 5.336 11.852 ( 0.000 12.235 5.116) 13.262 12.057 ( 0.000 13.607 -8.292) 15.935 12.065 ( 0.000 -7.220 17.356) 18.798 12.365 ( 0.000 -13.982 -6.967) 15.621 12.836 ( 0.000 0.268 8.210) 8.214 12.956 ( 0.000 -9.167 14.909) 17.502 13.130 ( 0.000 8.495 -15.360) 17.553 13.303 ( 0.000 -6.007 -15.630) 16.745 13.603 ( 0.000 0.236 0.269) 0.358 13.621 ( 0.000 -2.068 -2.168) 2.996 13.647 ( 0.000 3.159 -3.810) 4.949 13.699 ( 0.000 -1.302 -7.774) 7.882 14.595 ( 0.000 7.089 14.698) 16.318 14.812 ( 0.000 -11.423 11.402) 16.139 14.904 ( 0.000 8.390 -15.449) 17.580 15.019 ( 0.000 0.055 -8.046) 8.046 16.045 ( 0.000 6.145 0.530) 6.168 16.100 ( 0.000 0.195 2.384) 2.392 16.112 ( 0.000 -1.377 -7.055) 7.188 16.141 ( 0.000 -1.857 -1.206) 2.215 16.705 ( 0.000 3.472 7.082) 7.887 16.861 ( 0.000 -10.299 16.026) 19.050 16.901 ( 0.000 13.386 -12.387) 18.238 17.211 ( 0.000 -13.177 -17.923) 22.246 21.314 ( 0.000 13.304 35.158) 37.591 21.626 ( 0.000 -14.710 29.584) 33.040 22.017 ( 0.000 7.090 -33.260) 34.007 22.173 ( 0.000 -6.813 -23.691) 24.651 24.330 ( 0.000 5.003 7.070) 8.661 24.421 ( 0.000 -2.789 6.335) 6.922 24.515 ( 0.000 5.553 -10.756) 12.105 24.583 ( 0.000 -0.040 -9.343) 9.343 ======================= Grid point 243 (86/90) ======================= q-point: ( 0.10 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 6.315 8.424 19.466) 22.131 3.599 ( 2.357 3.324 17.543) 18.010 3.731 ( -1.736 6.286 20.420) 21.436 3.833 ( 5.027 0.445 3.052) 5.897 4.004 ( 4.432 8.183 -9.225) 13.103 4.123 ( 2.665 -3.324 6.403) 7.691 4.361 ( -1.583 3.011 -23.819) 24.060 4.428 ( 0.729 -0.171 -16.215) 16.233 5.441 ( -9.653 22.027 26.876) 36.065 5.874 ( -12.476 -8.010 19.347) 24.374 6.068 ( -7.882 11.963 -17.518) 22.629 6.336 ( -5.240 -5.775 -9.453) 12.254 6.524 ( -4.942 0.567 11.601) 12.623 6.575 ( -4.530 -1.569 8.743) 9.971 6.696 ( 1.493 0.478 6.108) 6.306 6.869 ( -7.448 -3.751 -4.089) 9.288 6.951 ( 11.467 -0.797 23.830) 26.457 7.075 ( -2.383 14.141 8.407) 16.623 7.244 ( 6.202 -12.650 11.429) 18.141 7.412 ( -9.066 1.611 -6.091) 11.040 7.474 ( 11.708 -7.573 6.489) 15.379 7.784 ( 0.361 -8.366 -20.236) 21.900 7.830 ( 6.138 -2.407 -21.036) 22.045 7.921 ( 17.073 -11.613 -14.644) 25.314 8.319 ( -2.243 9.713 18.759) 21.243 8.485 ( -5.254 -4.258 20.171) 21.274 8.723 ( 5.533 10.166 -8.182) 14.175 8.872 ( 0.364 -1.750 -5.413) 5.701 8.932 ( 0.261 3.791 -5.669) 6.825 9.021 ( 7.508 -6.578 5.787) 11.538 9.198 ( 9.164 1.603 -16.265) 18.738 9.305 ( 7.858 -5.774 -14.624) 17.577 9.676 ( 23.339 15.929 11.634) 30.558 9.966 ( 7.437 13.101 -6.405) 16.370 10.136 ( 18.962 -14.389 5.484) 24.427 10.481 ( 2.899 -22.165 -17.592) 28.445 11.100 ( -9.953 14.070 14.193) 22.326 11.339 ( -10.348 8.106 -5.194) 14.134 11.401 ( -7.306 -11.875 7.038) 15.618 11.512 ( -4.580 -7.276 -1.046) 8.661 11.816 ( -3.832 10.503 5.543) 12.479 11.991 ( -6.364 12.896 -5.932) 15.556 12.022 ( -4.084 -5.971 17.442) 18.883 12.310 ( -6.483 -13.672 -6.284) 16.384 12.752 ( -7.012 -2.660 0.289) 7.505 12.808 ( -10.785 -4.753 5.706) 13.095 12.912 ( -15.225 3.774 -10.912) 19.108 13.055 ( -16.024 -6.416 -13.290) 21.785 13.699 ( 6.007 5.710 0.195) 8.290 13.762 ( 9.515 3.220 -4.196) 10.886 13.802 ( 7.148 -0.810 -2.512) 7.620 13.833 ( 11.774 -0.136 -3.892) 12.402 14.605 ( 0.141 5.578 11.728) 12.988 14.736 ( -6.817 -0.920 5.200) 8.623 14.916 ( -0.459 -2.134 -6.140) 6.517 14.982 ( -3.031 -2.371 -6.719) 7.743 16.007 ( -4.721 6.439 -0.367) 7.993 16.019 ( -4.867 5.282 -1.793) 7.403 16.077 ( -1.652 -1.001 3.386) 3.899 16.182 ( 1.909 -6.403 -6.994) 9.672 16.701 ( -0.658 2.130 7.863) 8.173 16.804 ( -3.988 -3.955 12.152) 13.387 16.934 ( 1.186 5.998 -9.852) 11.595 17.173 ( -3.800 -11.426 -18.042) 21.691 21.385 ( 7.266 13.692 34.728) 38.031 21.704 ( 7.827 -14.874 29.308) 33.785 22.080 ( 6.448 7.582 -32.781) 34.259 22.248 ( 7.441 -7.253 -23.468) 25.666 24.256 ( -7.654 5.083 7.850) 12.085 24.342 ( -7.852 -1.939 6.052) 10.102 24.455 ( -6.020 3.993 -10.216) 12.512 24.507 ( -7.545 0.209 -9.116) 11.835 ======================= Grid point 244 (87/90) ======================= q-point: ( 0.20 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( -3.321 5.976 22.601) 23.613 3.639 ( 2.248 2.568 19.791) 20.084 3.779 ( 6.198 10.554 6.335) 13.782 3.950 ( 5.357 -2.644 1.473) 6.153 4.106 ( 4.648 5.082 -8.598) 11.016 4.188 ( 4.479 -2.424 5.684) 7.632 4.335 ( -0.151 4.547 -22.450) 22.906 4.442 ( 2.231 -1.692 -12.993) 13.292 5.303 ( -4.067 18.477 25.940) 32.106 5.700 ( -4.444 -6.847 15.608) 17.614 5.935 ( -4.146 4.225 -16.489) 17.519 6.225 ( -4.548 -12.962 -16.205) 21.244 6.436 ( -3.643 3.909 12.628) 13.712 6.505 ( -1.880 -0.193 9.632) 9.816 6.695 ( -2.359 -6.664 -1.646) 7.258 6.737 ( -3.162 -7.872 -2.815) 8.938 6.963 ( -3.093 13.188 4.226) 14.190 7.133 ( -4.812 11.907 -3.633) 13.346 7.227 ( -6.676 -6.027 4.760) 10.176 7.383 ( 3.371 -4.476 2.704) 6.221 7.577 ( 6.947 7.802 10.524) 14.828 7.893 ( 16.114 -16.584 16.644) 28.490 8.063 ( 9.938 5.794 -18.153) 21.491 8.225 ( 11.520 -8.788 -5.764) 15.594 8.424 ( 7.199 5.210 17.033) 19.212 8.500 ( 9.043 -1.803 18.187) 20.391 8.805 ( 0.308 5.992 -5.424) 8.088 8.864 ( 0.983 0.356 -4.843) 4.954 8.983 ( 4.654 5.304 -2.128) 7.370 9.111 ( 2.178 -3.400 1.672) 4.370 9.329 ( 4.939 -1.192 -17.423) 18.148 9.428 ( 3.820 -8.294 -15.950) 18.379 10.066 ( 3.241 11.025 9.451) 14.878 10.192 ( 18.550 8.882 0.606) 20.576 10.376 ( -10.365 -9.527 5.188) 15.004 10.527 ( 8.756 -12.693 -5.269) 16.296 11.000 ( 2.265 11.222 2.047) 11.629 11.111 ( -9.190 14.075 -3.391) 17.148 11.275 ( -1.818 -13.556 6.692) 15.226 11.434 ( -0.116 -14.586 -4.676) 15.317 11.717 ( -4.742 10.331 5.566) 12.657 11.846 ( -6.395 8.042 -3.246) 10.775 11.931 ( -4.511 -3.369 12.057) 13.307 12.127 ( -9.535 -12.400 -4.820) 16.368 12.579 ( -7.876 0.727 -2.659) 8.344 12.669 ( -7.352 3.186 -9.756) 12.624 12.693 ( -3.977 -7.557 -3.339) 9.169 12.835 ( -6.455 -7.872 -12.770) 16.331 13.769 ( 0.736 8.274 2.381) 8.641 13.848 ( -0.089 7.462 -4.042) 8.487 13.936 ( 5.494 -2.788 1.494) 6.339 14.020 ( 6.591 -2.256 -5.269) 8.735 14.548 ( -7.217 11.050 4.951) 14.096 14.568 ( -9.348 7.575 3.356) 12.491 14.854 ( -5.314 -8.072 1.747) 9.821 14.914 ( -5.073 -11.507 -3.556) 13.069 15.904 ( -3.797 7.162 3.378) 8.782 15.959 ( -1.414 6.779 1.659) 7.121 16.062 ( 0.268 0.445 0.825) 0.975 16.219 ( 1.918 -8.684 -10.665) 13.887 16.667 ( -3.088 0.064 9.646) 10.128 16.721 ( -4.188 -3.708 10.543) 11.935 16.925 ( -2.169 3.216 -12.868) 13.440 17.068 ( -6.749 -7.775 -18.107) 20.829 21.590 ( 13.559 14.362 33.503) 38.892 21.917 ( 13.549 -14.522 28.281) 34.558 22.263 ( 12.088 8.198 -31.105) 34.364 22.449 ( 12.847 -8.030 -22.731) 27.317 24.029 ( -15.556 5.905 10.694) 19.779 24.130 ( -13.572 -2.622 7.886) 15.915 24.278 ( -12.530 2.695 -12.353) 17.801 24.311 ( -11.633 0.270 -8.674) 14.513 ======================= Grid point 245 (88/90) ======================= q-point: ( 0.30 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( 1.275 5.565 17.460) 18.370 3.655 ( 0.939 -3.162 12.259) 12.695 3.827 ( -1.981 7.910 -9.428) 12.465 3.985 ( -4.313 -6.680 -15.985) 17.853 4.179 ( 8.590 10.985 9.961) 17.137 4.321 ( 7.865 2.416 6.222) 10.316 4.437 ( 9.036 3.681 -7.056) 12.041 4.531 ( 5.761 -1.713 -6.978) 9.210 5.269 ( 0.494 15.791 27.515) 31.728 5.649 ( -2.468 -11.296 17.365) 20.863 5.879 ( -4.084 6.539 -19.542) 21.008 6.150 ( -6.028 -12.011 -19.956) 24.059 6.432 ( 4.495 4.838 13.668) 15.180 6.523 ( 4.163 -1.743 8.546) 9.664 6.644 ( 1.235 0.176 3.899) 4.094 6.741 ( 3.503 -6.236 -4.510) 8.456 6.930 ( -0.741 9.644 1.418) 9.776 7.045 ( -2.194 10.275 -6.160) 12.180 7.145 ( -1.961 -6.111 2.237) 6.797 7.311 ( -2.630 -9.852 -11.864) 15.644 7.852 ( 10.367 10.694 18.884) 24.051 8.119 ( 4.913 -9.683 17.476) 20.575 8.213 ( 5.769 5.640 -8.609) 11.798 8.385 ( 5.956 -6.375 1.833) 8.915 8.499 ( -0.766 4.909 11.887) 12.883 8.614 ( -1.638 -2.097 11.088) 11.403 8.845 ( 7.276 5.823 -1.779) 9.488 8.919 ( 0.664 1.569 -0.718) 1.849 9.004 ( -0.793 -0.561 -0.260) 1.006 9.128 ( -3.503 -8.316 5.904) 10.783 9.377 ( 0.533 0.325 -16.460) 16.471 9.472 ( 0.137 -9.121 -16.063) 18.473 9.981 ( -6.732 4.102 15.240) 17.158 10.077 ( -11.629 -3.924 11.571) 16.868 10.318 ( -6.323 3.041 -15.406) 16.929 10.401 ( -17.706 -4.620 -16.438) 24.598 11.100 ( 7.423 12.554 9.402) 17.352 11.134 ( 5.964 18.199 8.224) 20.843 11.376 ( 7.826 -8.172 7.824) 13.757 11.540 ( 3.952 -7.904 -6.038) 10.703 11.692 ( 6.269 4.750 7.666) 10.983 11.870 ( 7.864 4.089 -5.980) 10.693 11.916 ( 7.891 -5.995 2.461) 10.211 12.060 ( 3.402 -11.484 -7.060) 13.903 12.489 ( -1.626 2.389 -1.439) 3.228 12.572 ( -1.995 -1.099 -3.033) 3.793 12.650 ( -1.710 -5.120 -10.038) 11.398 12.755 ( -2.734 -8.156 -14.455) 16.821 13.746 ( -2.286 8.761 3.977) 9.890 13.809 ( -2.810 6.432 -0.144) 7.021 13.985 ( -0.452 -6.913 0.410) 6.940 14.077 ( -0.943 -8.562 -6.299) 10.671 14.360 ( -9.062 18.880 4.089) 21.338 14.395 ( -8.881 15.235 0.864) 17.655 14.712 ( -9.268 -11.097 3.706) 14.925 14.764 ( -10.018 -14.178 -1.186) 17.401 15.878 ( 1.106 7.455 6.908) 10.223 15.971 ( 2.233 3.073 5.387) 6.592 16.082 ( 1.446 2.987 -2.122) 3.939 16.242 ( -0.342 -7.072 -8.894) 11.368 16.592 ( -3.445 -0.822 7.147) 7.976 16.650 ( -3.111 -5.246 5.323) 8.095 16.852 ( -5.133 0.465 -14.247) 15.150 16.920 ( -8.095 -4.719 -17.318) 19.690 21.904 ( 18.385 14.521 31.490) 39.249 22.219 ( 17.193 -12.641 26.241) 33.823 22.540 ( 15.938 7.849 -27.911) 33.085 22.732 ( 15.672 -8.214 -21.208) 27.620 23.668 ( -20.744 7.574 15.120) 26.763 23.820 ( -17.953 -5.675 12.486) 22.592 23.987 ( -16.482 4.502 -16.020) 23.421 24.060 ( -14.183 -1.883 -11.099) 18.107 ======================= Grid point 246 (89/90) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 4.250 5.388 10.279) 12.360 3.701 ( 3.414 -2.618 3.122) 5.315 3.773 ( -2.755 2.738 -5.143) 6.445 3.876 ( -4.966 -6.097 -12.064) 14.400 4.378 ( 9.401 13.704 9.657) 19.220 4.486 ( 8.756 6.730 0.866) 11.077 4.569 ( 2.844 1.423 1.957) 3.734 4.616 ( 2.363 -1.798 -1.555) 3.352 5.352 ( 8.857 9.930 19.560) 23.656 5.595 ( -2.387 -7.766 14.862) 16.938 5.738 ( -8.871 6.655 -10.371) 15.184 5.928 ( -15.233 -7.760 -9.977) 19.793 6.603 ( 9.760 7.283 12.410) 17.387 6.621 ( 5.607 6.687 9.827) 13.142 6.808 ( 10.603 0.714 1.178) 10.692 6.837 ( 3.587 1.749 -2.730) 4.835 6.937 ( 4.172 5.046 2.295) 6.938 7.064 ( 4.296 2.343 -4.524) 6.664 7.163 ( 4.271 -7.807 -0.865) 8.941 7.341 ( 3.865 -15.193 -12.268) 19.906 7.838 ( -5.334 9.903 8.924) 14.358 8.119 ( -11.013 -5.739 4.384) 13.170 8.146 ( -10.673 0.356 -9.098) 14.029 8.395 ( -7.420 -4.341 -4.472) 9.691 8.499 ( 5.533 2.137 15.306) 16.415 8.655 ( 5.992 -6.910 12.485) 15.477 8.779 ( -9.883 2.079 3.437) 10.669 8.872 ( -5.320 -6.198 7.370) 11.002 9.015 ( 2.559 2.860 10.562) 11.237 9.113 ( 3.145 -3.740 -5.335) 7.235 9.319 ( -8.442 -2.781 -15.616) 17.969 9.407 ( -4.614 -7.133 -15.601) 17.764 9.920 ( 2.070 4.813 7.827) 9.418 10.004 ( 1.175 -2.518 4.913) 5.644 10.123 ( -7.524 2.105 -11.124) 13.594 10.172 ( -6.964 -2.022 -10.191) 12.508 11.175 ( 3.416 16.932 17.402) 24.519 11.270 ( 3.819 14.470 13.288) 20.014 11.425 ( 1.214 -1.224 7.556) 7.751 11.546 ( -1.298 -1.127 -4.685) 4.991 11.950 ( 12.693 -0.108 7.354) 14.670 12.056 ( 11.181 0.401 -2.639) 11.495 12.128 ( 5.789 -1.804 -8.104) 10.122 12.198 ( 8.544 -8.780 -10.436) 16.093 12.502 ( 2.364 3.719 -0.708) 4.464 12.580 ( 1.688 -1.083 -1.850) 2.729 12.643 ( 2.029 -7.834 -10.956) 13.621 12.716 ( -1.082 -7.734 -15.370) 17.240 13.709 ( -0.480 8.394 6.419) 10.578 13.786 ( 1.278 1.555 0.734) 2.143 13.919 ( -6.233 -3.450 1.387) 7.258 13.986 ( -7.122 -6.684 -3.678) 10.437 14.255 ( -1.067 10.611 0.846) 10.698 14.270 ( -2.364 13.206 0.622) 13.430 14.507 ( -11.008 -8.791 2.647) 14.334 14.542 ( -12.082 -11.893 -0.474) 16.960 15.938 ( 4.783 6.222 7.896) 11.133 16.029 ( 3.349 0.594 6.681) 7.497 16.103 ( 0.362 3.865 -0.979) 4.003 16.183 ( -5.520 -0.928 0.364) 5.609 16.572 ( 1.499 -3.258 -3.534) 5.035 16.609 ( -0.629 -5.891 -2.014) 6.257 16.735 ( -6.442 -1.485 -14.440) 15.881 16.770 ( -6.951 -3.931 -14.523) 16.574 22.297 ( 21.627 13.704 28.505) 38.315 22.577 ( 19.269 -9.796 23.433) 31.880 22.863 ( 16.005 6.962 -21.835) 27.954 23.019 ( 8.768 -4.278 -12.197) 15.619 23.269 ( -15.031 6.631 13.377) 21.186 23.452 ( -18.532 -7.714 13.991) 24.468 23.652 ( -17.567 4.662 -19.311) 26.519 23.762 ( -16.182 -4.285 -14.160) 21.926 ======================= Grid point 247 (90/90) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( -3.946 4.373 4.037) 7.141 3.691 ( 3.946 4.373 4.037) 7.141 3.794 ( -3.910 -4.534 -5.710) 8.273 3.794 ( 3.910 -4.534 -5.710) 8.274 4.525 ( -5.663 9.473 7.454) 13.318 4.525 ( 5.663 9.473 7.454) 13.318 4.619 ( -3.376 1.304 -1.288) 3.842 4.619 ( 3.376 1.304 -1.288) 3.842 5.572 ( -5.316 2.977 6.592) 8.976 5.572 ( 5.316 2.977 6.592) 8.976 5.637 ( -7.401 -2.290 1.550) 7.901 5.637 ( 7.401 -2.290 1.550) 7.901 6.703 ( -0.665 11.060 12.767) 16.905 6.703 ( 0.665 11.060 12.767) 16.905 6.858 ( -0.316 2.905 1.882) 3.476 6.858 ( 0.316 2.905 1.882) 3.476 7.132 ( -3.172 1.500 1.935) 4.007 7.132 ( 3.172 1.501 1.935) 4.007 7.280 ( -7.747 -6.893 -8.217) 13.231 7.280 ( 7.747 -6.893 -8.217) 13.231 7.897 ( -5.855 -1.583 1.415) 6.228 7.897 ( 5.855 -1.583 1.415) 6.228 8.079 ( -16.568 -15.245 -14.606) 26.837 8.079 ( 16.568 -15.245 -14.606) 26.837 8.641 ( -6.389 5.520 16.553) 18.582 8.641 ( 6.389 5.520 16.553) 18.582 8.788 ( -3.771 -5.318 11.958) 13.620 8.788 ( 3.771 -5.318 11.958) 13.620 9.069 ( -5.077 7.140 -3.762) 9.534 9.069 ( 5.077 7.140 -3.762) 9.534 9.294 ( -6.086 -10.561 -15.869) 20.010 9.294 ( 6.086 -10.561 -15.869) 20.010 10.016 ( -4.193 2.501 0.837) 4.953 10.016 ( 4.193 2.501 0.837) 4.953 10.062 ( -1.075 -1.462 -3.780) 4.193 10.062 ( 1.075 -1.462 -3.780) 4.193 11.253 ( -3.898 16.716 18.758) 25.426 11.253 ( 3.898 16.716 18.758) 25.426 11.493 ( -4.190 -1.298 2.804) 5.206 11.493 ( 4.190 -1.298 2.804) 5.206 12.111 ( -4.196 2.860 -2.861) 5.829 12.111 ( 4.196 2.860 -2.861) 5.829 12.242 ( -3.681 -6.287 -9.469) 11.947 12.242 ( 3.681 -6.287 -9.469) 11.947 12.570 ( -3.326 2.378 -0.047) 4.089 12.570 ( 3.326 2.378 -0.047) 4.089 12.699 ( -1.903 -7.920 -12.495) 14.915 12.699 ( 1.903 -7.920 -12.495) 14.915 13.766 ( -6.172 5.784 6.697) 10.789 13.766 ( 6.172 5.784 6.697) 10.789 13.864 ( -4.787 -2.080 -2.823) 5.934 13.864 ( 4.787 -2.080 -2.823) 5.934 14.308 ( -3.778 -1.144 2.152) 4.495 14.308 ( 3.778 -1.144 2.152) 4.495 14.341 ( -4.277 -3.341 -1.315) 5.585 14.341 ( 4.277 -3.341 -1.315) 5.585 16.053 ( -6.536 3.855 6.185) 9.790 16.053 ( 6.536 3.855 6.185) 9.790 16.088 ( -2.221 1.646 3.871) 4.757 16.088 ( 2.221 1.646 3.871) 4.757 16.625 ( -3.283 -3.021 -9.538) 10.530 16.625 ( 3.283 -3.021 -9.538) 10.530 16.655 ( -4.113 -4.918 -11.465) 13.136 16.655 ( 4.113 -4.918 -11.465) 13.136 22.734 ( -22.523 11.631 23.767) 34.748 22.734 ( 22.523 11.631 23.767) 34.748 22.942 ( -15.087 -4.798 15.731) 22.318 22.942 ( 15.087 -4.798 15.731) 22.318 23.316 ( -11.208 2.684 -16.144) 19.836 23.316 ( 11.208 2.684 -16.144) 19.836 23.446 ( -14.434 -6.600 -16.959) 23.227 23.446 ( 14.434 -6.600 -16.959) 23.227 =================== 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 3/32400 10.0 2389.037 1031.804 1962.494 0.000 0.000 0.000 3/32400 20.0 889.874 859.700 864.154 0.000 0.000 0.000 3/32400 30.0 251.293 267.504 267.025 0.000 0.000 0.000 3/32400 40.0 114.232 121.285 125.467 0.000 0.000 0.000 3/32400 50.0 65.813 68.932 73.620 0.000 0.000 0.000 3/32400 60.0 43.405 44.925 49.543 0.000 0.000 0.000 3/32400 70.0 31.219 32.020 36.333 0.000 0.000 0.000 3/32400 80.0 23.845 24.289 28.214 0.000 0.000 0.000 3/32400 90.0 19.033 19.284 22.819 0.000 0.000 0.000 3/32400 100.0 15.708 15.847 19.027 0.000 0.000 0.000 3/32400 110.0 13.305 13.377 16.246 0.000 0.000 0.000 3/32400 120.0 11.507 11.535 14.137 0.000 0.000 0.000 3/32400 130.0 10.120 10.119 12.493 0.000 0.000 0.000 3/32400 140.0 9.024 9.003 11.183 0.000 0.000 0.000 3/32400 150.0 8.140 8.104 10.118 0.000 0.000 0.000 3/32400 160.0 7.413 7.366 9.238 0.000 0.000 0.000 3/32400 170.0 6.807 6.751 8.500 0.000 0.000 0.000 3/32400 180.0 6.295 6.231 7.873 0.000 0.000 0.000 3/32400 190.0 5.856 5.787 7.336 0.000 0.000 0.000 3/32400 200.0 5.477 5.403 6.869 0.000 0.000 0.000 3/32400 210.0 5.146 5.067 6.461 0.000 0.000 0.000 3/32400 220.0 4.855 4.772 6.101 0.000 0.000 0.000 3/32400 230.0 4.597 4.511 5.781 0.000 0.000 0.000 3/32400 240.0 4.366 4.277 5.495 0.000 0.000 0.000 3/32400 250.0 4.159 4.067 5.238 0.000 0.000 0.000 3/32400 260.0 3.972 3.878 5.005 0.000 0.000 0.000 3/32400 270.0 3.802 3.706 4.793 0.000 0.000 0.000 3/32400 280.0 3.647 3.549 4.599 0.000 0.000 0.000 3/32400 290.0 3.504 3.406 4.422 0.000 0.000 0.000 3/32400 300.0 3.374 3.274 4.258 0.000 0.000 0.000 3/32400 310.0 3.253 3.152 4.107 0.000 0.000 0.000 3/32400 320.0 3.141 3.040 3.967 0.000 0.000 0.000 3/32400 330.0 3.037 2.935 3.836 0.000 0.000 0.000 3/32400 340.0 2.940 2.838 3.715 0.000 0.000 0.000 3/32400 350.0 2.849 2.747 3.601 0.000 0.000 0.000 3/32400 360.0 2.764 2.662 3.494 0.000 0.000 0.000 3/32400 370.0 2.685 2.582 3.394 0.000 0.000 0.000 3/32400 380.0 2.610 2.507 3.300 0.000 0.000 0.000 3/32400 390.0 2.539 2.437 3.211 0.000 0.000 0.000 3/32400 400.0 2.472 2.370 3.126 0.000 0.000 0.000 3/32400 410.0 2.409 2.307 3.047 0.000 0.000 0.000 3/32400 420.0 2.349 2.247 2.971 0.000 0.000 0.000 3/32400 430.0 2.292 2.191 2.899 0.000 0.000 0.000 3/32400 440.0 2.238 2.137 2.831 0.000 0.000 0.000 3/32400 450.0 2.186 2.086 2.766 0.000 0.000 0.000 3/32400 460.0 2.137 2.038 2.704 0.000 0.000 0.000 3/32400 470.0 2.090 1.992 2.645 0.000 0.000 0.000 3/32400 480.0 2.045 1.947 2.588 0.000 0.000 0.000 3/32400 490.0 2.002 1.905 2.534 0.000 0.000 0.000 3/32400 500.0 1.961 1.865 2.482 0.000 0.000 0.000 3/32400 510.0 1.922 1.826 2.432 0.000 0.000 0.000 3/32400 520.0 1.884 1.789 2.384 0.000 0.000 0.000 3/32400 530.0 1.848 1.754 2.338 0.000 0.000 0.000 3/32400 540.0 1.813 1.720 2.294 0.000 0.000 0.000 3/32400 550.0 1.779 1.687 2.252 0.000 0.000 0.000 3/32400 560.0 1.747 1.655 2.211 0.000 0.000 0.000 3/32400 570.0 1.716 1.625 2.172 0.000 0.000 0.000 3/32400 580.0 1.686 1.596 2.134 0.000 0.000 0.000 3/32400 590.0 1.657 1.568 2.097 0.000 0.000 0.000 3/32400 600.0 1.629 1.540 2.061 0.000 0.000 0.000 3/32400 610.0 1.601 1.514 2.027 0.000 0.000 0.000 3/32400 620.0 1.575 1.489 1.994 0.000 0.000 0.000 3/32400 630.0 1.550 1.464 1.962 0.000 0.000 0.000 3/32400 640.0 1.526 1.441 1.931 0.000 0.000 0.000 3/32400 650.0 1.502 1.418 1.901 0.000 0.000 0.000 3/32400 660.0 1.479 1.395 1.872 0.000 0.000 0.000 3/32400 670.0 1.457 1.374 1.844 0.000 0.000 0.000 3/32400 680.0 1.435 1.353 1.816 0.000 0.000 0.000 3/32400 690.0 1.414 1.333 1.790 0.000 0.000 0.000 3/32400 700.0 1.394 1.313 1.764 0.000 0.000 0.000 3/32400 710.0 1.374 1.294 1.739 0.000 0.000 0.000 3/32400 720.0 1.355 1.276 1.715 0.000 0.000 0.000 3/32400 730.0 1.336 1.258 1.691 0.000 0.000 0.000 3/32400 740.0 1.318 1.240 1.668 0.000 0.000 0.000 3/32400 750.0 1.300 1.223 1.646 0.000 0.000 0.000 3/32400 760.0 1.283 1.207 1.624 0.000 0.000 0.000 3/32400 770.0 1.266 1.191 1.603 0.000 0.000 0.000 3/32400 780.0 1.250 1.175 1.582 0.000 0.000 0.000 3/32400 790.0 1.234 1.160 1.562 0.000 0.000 0.000 3/32400 800.0 1.218 1.145 1.542 0.000 0.000 0.000 3/32400 810.0 1.203 1.131 1.523 0.000 0.000 0.000 3/32400 820.0 1.188 1.117 1.505 0.000 0.000 0.000 3/32400 830.0 1.174 1.103 1.486 0.000 0.000 0.000 3/32400 840.0 1.160 1.090 1.469 0.000 0.000 0.000 3/32400 850.0 1.146 1.076 1.451 0.000 0.000 0.000 3/32400 860.0 1.133 1.064 1.434 0.000 0.000 0.000 3/32400 870.0 1.120 1.051 1.418 0.000 0.000 0.000 3/32400 880.0 1.107 1.039 1.402 0.000 0.000 0.000 3/32400 890.0 1.095 1.027 1.386 0.000 0.000 0.000 3/32400 900.0 1.082 1.016 1.370 0.000 0.000 0.000 3/32400 910.0 1.070 1.004 1.355 0.000 0.000 0.000 3/32400 920.0 1.059 0.993 1.340 0.000 0.000 0.000 3/32400 930.0 1.047 0.982 1.326 0.000 0.000 0.000 3/32400 940.0 1.036 0.972 1.312 0.000 0.000 0.000 3/32400 950.0 1.025 0.961 1.298 0.000 0.000 0.000 3/32400 960.0 1.015 0.951 1.284 0.000 0.000 0.000 3/32400 970.0 1.004 0.941 1.271 0.000 0.000 0.000 3/32400 980.0 0.994 0.931 1.258 0.000 0.000 0.000 3/32400 990.0 0.984 0.922 1.245 0.000 0.000 0.000 3/32400 1000.0 0.974 0.913 1.233 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m1059.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:03:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|