----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:27:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.685326180130088 0.000000000000000 0.000000000000000 b 0.000000000000000 7.913957260000000 0.000000000000000 c -2.843556743652488 0.000000000000000 7.291229404121461 Atomic positions (fractional): *1 B 0.78596883167254 0.32216486929469 0.82366589825527 10.811 2 B 0.21403116832746 0.67783513070531 0.17633410174473 10.811 3 B 0.78596883167254 0.17783513070531 0.32366589825527 10.811 4 B 0.21403116832746 0.82216486929469 0.67633410174473 10.811 *5 N 0.41757601927119 0.92585416212344 0.72365365076807 14.007 *6 N 0.99059373146841 0.21973596624815 0.87061371334765 14.007 7 N 0.58242398072880 0.07414583787656 0.27634634923193 14.007 8 N 0.58242398072880 0.42585416212344 0.77634634923193 14.007 9 N 0.00940626853159 0.71973596624815 0.62938628665235 14.007 10 N 0.00940626853159 0.78026403375185 0.12938628665235 14.007 11 N 0.41757601927119 0.57414583787656 0.22365365076807 14.007 12 N 0.99059373146841 0.28026403375185 0.37061371334765 14.007 *13 Na 0.25886112677430 0.29135869268641 0.18665346804424 22.990 14 Na 0.74113887322570 0.79135869268641 0.31334653195576 22.990 15 Na 0.74113887322570 0.70864130731359 0.81334653195576 22.990 16 Na 0.25886112677430 0.20864130731359 0.68665346804424 22.990 *17 Na 0.75999611580033 0.47840684380747 0.12212139651735 22.990 18 Na 0.24000388419967 0.97840684380747 0.37787860348265 22.990 19 Na 0.24000388419967 0.52159315619253 0.87787860348265 22.990 20 Na 0.75999611580033 0.02159315619253 0.62212139651735 22.990 *21 Na 0.74909399363375 0.03228218033715 0.00848570473484 22.990 22 Na 0.25090600636625 0.53228218033715 0.49151429526515 22.990 23 Na 0.25090600636625 0.96771781966285 0.99151429526515 22.990 24 Na 0.74909399363375 0.46771781966285 0.50848570473485 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.685326180130088 0.000000000000000 0.000000000000000 b 0.000000000000000 7.913957260000000 0.000000000000000 c -2.843556743652488 0.000000000000000 7.291229404121461 Atomic positions (fractional): *1 B 0.78596883167254 0.32216486929469 0.82366589825527 10.811 > 1 2 B 0.21403116832746 0.67783513070531 0.17633410174473 10.811 > 2 3 B 0.78596883167254 0.17783513070531 0.32366589825527 10.811 > 3 4 B 0.21403116832746 0.82216486929469 0.67633410174473 10.811 > 4 *5 N 0.41757601927119 0.92585416212344 0.72365365076807 14.007 > 5 *6 N 0.99059373146841 0.21973596624815 0.87061371334765 14.007 > 6 7 N 0.58242398072880 0.07414583787656 0.27634634923193 14.007 > 7 8 N 0.58242398072880 0.42585416212344 0.77634634923193 14.007 > 8 9 N 0.00940626853159 0.71973596624815 0.62938628665235 14.007 > 9 10 N 0.00940626853159 0.78026403375185 0.12938628665235 14.007 > 10 11 N 0.41757601927119 0.57414583787656 0.22365365076807 14.007 > 11 12 N 0.99059373146841 0.28026403375185 0.37061371334765 14.007 > 12 *13 Na 0.25886112677430 0.29135869268641 0.18665346804424 22.990 > 13 14 Na 0.74113887322570 0.79135869268641 0.31334653195576 22.990 > 14 15 Na 0.74113887322570 0.70864130731359 0.81334653195576 22.990 > 15 16 Na 0.25886112677430 0.20864130731359 0.68665346804424 22.990 > 16 *17 Na 0.75999611580033 0.47840684380747 0.12212139651735 22.990 > 17 18 Na 0.24000388419967 0.97840684380747 0.37787860348265 22.990 > 18 19 Na 0.24000388419967 0.52159315619253 0.87787860348265 22.990 > 19 20 Na 0.75999611580033 0.02159315619253 0.62212139651735 22.990 > 20 *21 Na 0.74909399363375 0.03228218033715 0.00848570473484 22.990 > 21 22 Na 0.25090600636625 0.53228218033715 0.49151429526515 22.990 > 22 23 Na 0.25090600636625 0.96771781966285 0.99151429526515 22.990 > 23 24 Na 0.74909399363375 0.46771781966285 0.50848570473485 22.990 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.370652360260175 0.000000000000000 0.000000000000000 b 0.000000000000000 7.913957260000000 0.000000000000000 c -5.687113487304976 0.000000000000000 14.582458808242922 Atomic positions (fractional): *1 B 0.39298441583627 0.32216486929469 0.41183294912763 10.811 > 1 2 B 0.89298441583627 0.32216486929469 0.41183294912763 10.811 > 1 3 B 0.39298441583627 0.32216486929469 0.91183294912763 10.811 > 1 4 B 0.89298441583627 0.32216486929469 0.91183294912763 10.811 > 1 5 B 0.10701558416373 0.67783513070531 0.08816705087237 10.811 > 2 6 B 0.60701558416373 0.67783513070531 0.08816705087237 10.811 > 2 7 B 0.10701558416373 0.67783513070531 0.58816705087237 10.811 > 2 8 B 0.60701558416373 0.67783513070531 0.58816705087237 10.811 > 2 9 B 0.39298441583627 0.17783513070531 0.16183294912763 10.811 > 3 10 B 0.89298441583627 0.17783513070531 0.16183294912763 10.811 > 3 11 B 0.39298441583627 0.17783513070531 0.66183294912763 10.811 > 3 12 B 0.89298441583627 0.17783513070531 0.66183294912763 10.811 > 3 13 B 0.10701558416373 0.82216486929469 0.33816705087237 10.811 > 4 14 B 0.60701558416373 0.82216486929469 0.33816705087237 10.811 > 4 15 B 0.10701558416373 0.82216486929469 0.83816705087237 10.811 > 4 16 B 0.60701558416373 0.82216486929469 0.83816705087237 10.811 > 4 *17 N 0.20878800963560 0.92585416212344 0.36182682538404 14.007 > 5 18 N 0.70878800963560 0.92585416212344 0.36182682538404 14.007 > 5 19 N 0.20878800963560 0.92585416212344 0.86182682538404 14.007 > 5 20 N 0.70878800963560 0.92585416212344 0.86182682538404 14.007 > 5 *21 N 0.49529686573421 0.21973596624815 0.43530685667383 14.007 > 6 22 N 0.99529686573421 0.21973596624815 0.43530685667383 14.007 > 6 23 N 0.49529686573421 0.21973596624815 0.93530685667383 14.007 > 6 24 N 0.99529686573421 0.21973596624815 0.93530685667383 14.007 > 6 25 N 0.29121199036440 0.07414583787656 0.13817317461596 14.007 > 7 26 N 0.79121199036440 0.07414583787656 0.13817317461596 14.007 > 7 27 N 0.29121199036440 0.07414583787656 0.63817317461596 14.007 > 7 28 N 0.79121199036440 0.07414583787656 0.63817317461596 14.007 > 7 29 N 0.29121199036440 0.42585416212344 0.38817317461596 14.007 > 8 30 N 0.79121199036440 0.42585416212344 0.38817317461596 14.007 > 8 31 N 0.29121199036440 0.42585416212344 0.88817317461596 14.007 > 8 32 N 0.79121199036440 0.42585416212344 0.88817317461596 14.007 > 8 33 N 0.00470313426579 0.71973596624815 0.31469314332617 14.007 > 9 34 N 0.50470313426579 0.71973596624815 0.31469314332617 14.007 > 9 35 N 0.00470313426579 0.71973596624815 0.81469314332617 14.007 > 9 36 N 0.50470313426579 0.71973596624815 0.81469314332617 14.007 > 9 37 N 0.00470313426579 0.78026403375185 0.06469314332617 14.007 > 10 38 N 0.50470313426579 0.78026403375185 0.06469314332617 14.007 > 10 39 N 0.00470313426579 0.78026403375185 0.56469314332617 14.007 > 10 40 N 0.50470313426579 0.78026403375185 0.56469314332617 14.007 > 10 41 N 0.20878800963560 0.57414583787656 0.11182682538404 14.007 > 11 42 N 0.70878800963560 0.57414583787656 0.11182682538404 14.007 > 11 43 N 0.20878800963560 0.57414583787656 0.61182682538404 14.007 > 11 44 N 0.70878800963560 0.57414583787656 0.61182682538404 14.007 > 11 45 N 0.49529686573421 0.28026403375185 0.18530685667383 14.007 > 12 46 N 0.99529686573421 0.28026403375185 0.18530685667383 14.007 > 12 47 N 0.49529686573421 0.28026403375185 0.68530685667383 14.007 > 12 48 N 0.99529686573421 0.28026403375185 0.68530685667383 14.007 > 12 *49 Na 0.12943056338715 0.29135869268641 0.09332673402212 22.990 > 13 50 Na 0.62943056338715 0.29135869268641 0.09332673402212 22.990 > 13 51 Na 0.12943056338715 0.29135869268641 0.59332673402212 22.990 > 13 52 Na 0.62943056338715 0.29135869268641 0.59332673402212 22.990 > 13 53 Na 0.37056943661285 0.79135869268641 0.15667326597788 22.990 > 14 54 Na 0.87056943661285 0.79135869268641 0.15667326597788 22.990 > 14 55 Na 0.37056943661285 0.79135869268641 0.65667326597788 22.990 > 14 56 Na 0.87056943661285 0.79135869268641 0.65667326597788 22.990 > 14 57 Na 0.37056943661285 0.70864130731359 0.40667326597788 22.990 > 15 58 Na 0.87056943661285 0.70864130731359 0.40667326597788 22.990 > 15 59 Na 0.37056943661285 0.70864130731359 0.90667326597788 22.990 > 15 60 Na 0.87056943661285 0.70864130731359 0.90667326597788 22.990 > 15 61 Na 0.12943056338715 0.20864130731359 0.34332673402212 22.990 > 16 62 Na 0.62943056338715 0.20864130731359 0.34332673402212 22.990 > 16 63 Na 0.12943056338715 0.20864130731359 0.84332673402212 22.990 > 16 64 Na 0.62943056338715 0.20864130731359 0.84332673402212 22.990 > 16 *65 Na 0.37999805790016 0.47840684380747 0.06106069825868 22.990 > 17 66 Na 0.87999805790016 0.47840684380747 0.06106069825868 22.990 > 17 67 Na 0.37999805790016 0.47840684380747 0.56106069825867 22.990 > 17 68 Na 0.87999805790016 0.47840684380747 0.56106069825867 22.990 > 17 69 Na 0.12000194209984 0.97840684380747 0.18893930174133 22.990 > 18 70 Na 0.62000194209984 0.97840684380747 0.18893930174133 22.990 > 18 71 Na 0.12000194209984 0.97840684380747 0.68893930174133 22.990 > 18 72 Na 0.62000194209984 0.97840684380747 0.68893930174133 22.990 > 18 73 Na 0.12000194209984 0.52159315619253 0.43893930174133 22.990 > 19 74 Na 0.62000194209984 0.52159315619253 0.43893930174133 22.990 > 19 75 Na 0.12000194209984 0.52159315619253 0.93893930174133 22.990 > 19 76 Na 0.62000194209984 0.52159315619253 0.93893930174133 22.990 > 19 77 Na 0.37999805790016 0.02159315619253 0.31106069825867 22.990 > 20 78 Na 0.87999805790016 0.02159315619253 0.31106069825867 22.990 > 20 79 Na 0.37999805790016 0.02159315619253 0.81106069825867 22.990 > 20 80 Na 0.87999805790016 0.02159315619253 0.81106069825867 22.990 > 20 *81 Na 0.37454699681687 0.03228218033715 0.00424285236742 22.990 > 21 82 Na 0.87454699681687 0.03228218033715 0.00424285236742 22.990 > 21 83 Na 0.37454699681687 0.03228218033715 0.50424285236742 22.990 > 21 84 Na 0.87454699681687 0.03228218033715 0.50424285236742 22.990 > 21 85 Na 0.12545300318313 0.53228218033715 0.24575714763258 22.990 > 22 86 Na 0.62545300318313 0.53228218033715 0.24575714763258 22.990 > 22 87 Na 0.12545300318313 0.53228218033715 0.74575714763258 22.990 > 22 88 Na 0.62545300318313 0.53228218033715 0.74575714763258 22.990 > 22 89 Na 0.12545300318313 0.96771781966285 0.49575714763258 22.990 > 23 90 Na 0.62545300318313 0.96771781966285 0.49575714763258 22.990 > 23 91 Na 0.12545300318313 0.96771781966285 0.99575714763258 22.990 > 23 92 Na 0.62545300318313 0.96771781966285 0.99575714763258 22.990 > 23 93 Na 0.37454699681687 0.46771781966285 0.25424285236742 22.990 > 24 94 Na 0.87454699681687 0.46771781966285 0.25424285236742 22.990 > 24 95 Na 0.37454699681687 0.46771781966285 0.75424285236742 22.990 > 24 96 Na 0.87454699681687 0.46771781966285 0.75424285236742 22.990 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4803066 0.0000000 0.1259592 0.0000000 3.3771954 0.0000000 0.1259849 0.0000000 3.0872239 -------------------------- Born effective charges -------------------------- 1 B 1.4688144 -1.5268419 0.6556743 -1.4514076 0.7073939 -0.5109133 0.6132772 -0.4829793 -0.2942949 2 B 1.4688144 -1.5268419 0.6556743 -1.4514076 0.7073939 -0.5109133 0.6132772 -0.4829793 -0.2942949 3 B 1.4688144 1.5268419 0.6556743 1.4514076 0.7073939 0.5109133 0.6132772 0.4829793 -0.2942949 4 B 1.4688144 1.5268419 0.6556743 1.4514076 0.7073939 0.5109133 0.6132772 0.4829793 -0.2942949 5 N -2.2922796 -0.7191611 -0.3554588 -0.8173996 -1.8533075 -0.2828002 -0.3370098 -0.2207859 -1.3242306 6 N -2.1862096 0.8218872 -0.2920602 0.7548808 -1.9055200 0.2367387 -0.2642042 0.2794988 -1.3881168 7 N -2.2922796 -0.7191611 -0.3554588 -0.8173996 -1.8533075 -0.2828002 -0.3370098 -0.2207859 -1.3242306 8 N -2.2922796 0.7191611 -0.3554588 0.8173996 -1.8533075 0.2828002 -0.3370098 0.2207859 -1.3242306 9 N -2.1862096 -0.8218872 -0.2920602 -0.7548808 -1.9055200 -0.2367387 -0.2642042 -0.2794988 -1.3881168 10 N -2.1862096 0.8218872 -0.2920602 0.7548808 -1.9055200 0.2367387 -0.2642042 0.2794988 -1.3881168 11 N -2.2922796 0.7191611 -0.3554588 0.8173996 -1.8533075 0.2828002 -0.3370098 0.2207859 -1.3242306 12 N -2.1862096 -0.8218872 -0.2920602 -0.7548808 -1.9055200 -0.2367387 -0.2642042 -0.2794988 -1.3881168 13 Na 1.0312373 -0.0553664 0.0411137 0.0430242 0.9374706 -0.0508294 0.0557677 -0.0197951 0.9222933 14 Na 1.0312373 0.0553664 0.0411137 -0.0430242 0.9374706 0.0508294 0.0557677 0.0197951 0.9222933 15 Na 1.0312373 -0.0553664 0.0411137 0.0430242 0.9374706 -0.0508294 0.0557677 -0.0197951 0.9222933 16 Na 1.0312373 0.0553664 0.0411137 -0.0430242 0.9374706 0.0508294 0.0557677 0.0197951 0.9222933 17 Na 1.0674672 0.0778909 -0.1162298 -0.0234054 1.0172119 0.0570291 -0.0611675 0.0371689 0.9772263 18 Na 1.0674672 -0.0778909 -0.1162298 0.0234054 1.0172119 -0.0570291 -0.0611675 -0.0371689 0.9772263 19 Na 1.0674672 0.0778909 -0.1162298 -0.0234054 1.0172119 0.0570291 -0.0611675 0.0371689 0.9772263 20 Na 1.0674672 -0.0778909 -0.1162298 0.0234054 1.0172119 -0.0570291 -0.0611675 -0.0371689 0.9772263 21 Na 0.9109702 -0.0696356 0.0669608 -0.0063313 1.0967511 0.0358658 -0.0066634 -0.0294506 1.1071228 22 Na 0.9109702 0.0696356 0.0669608 0.0063313 1.0967511 -0.0358658 -0.0066634 0.0294506 1.1071228 23 Na 0.9109702 -0.0696356 0.0669608 -0.0063313 1.0967511 0.0358658 -0.0066634 -0.0294506 1.1071228 24 Na 0.9109702 0.0696356 0.0669608 0.0063313 1.0967511 -0.0358658 -0.0066634 0.0294506 1.1071228 ---------------------------------------------------------------------------- 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: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.870 Solver_block: 200 / 720 - Time: 0.843 Solver_block: 300 / 720 - Time: 0.726 Solver_block: 400 / 720 - Time: 0.686 Solver_block: 500 / 720 - Time: 0.945 Solver_block: 600 / 720 - Time: 1.966 Solver_block: 700 / 720 - Time: 0.726 Solver_block: 720 / 720 - Time: 0.252 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.210 --------------------------------- 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: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 17), data: (576, 29) @ (29, 17) |-- (76, 70), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:27:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:27:51]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.685326180130088 0.000000000000000 0.000000000000000 b 0.000000000000000 7.913957260000000 0.000000000000000 c -2.843556743652488 0.000000000000000 7.291229404121461 Atomic positions (fractional): 1 B 0.78596883167254 0.32216486929469 0.82366589825527 10.811 2 B 0.21403116832746 0.67783513070531 0.17633410174473 10.811 3 B 0.78596883167254 0.17783513070531 0.32366589825527 10.811 4 B 0.21403116832746 0.82216486929469 0.67633410174473 10.811 5 N 0.41757601927119 0.92585416212344 0.72365365076807 14.007 6 N 0.99059373146841 0.21973596624815 0.87061371334765 14.007 7 N 0.58242398072880 0.07414583787656 0.27634634923193 14.007 8 N 0.58242398072880 0.42585416212344 0.77634634923193 14.007 9 N 0.00940626853159 0.71973596624815 0.62938628665235 14.007 10 N 0.00940626853159 0.78026403375185 0.12938628665235 14.007 11 N 0.41757601927119 0.57414583787656 0.22365365076807 14.007 12 N 0.99059373146841 0.28026403375185 0.37061371334765 14.007 13 Na 0.25886112677430 0.29135869268641 0.18665346804424 22.990 14 Na 0.74113887322570 0.79135869268641 0.31334653195576 22.990 15 Na 0.74113887322570 0.70864130731359 0.81334653195576 22.990 16 Na 0.25886112677430 0.20864130731359 0.68665346804424 22.990 17 Na 0.75999611580033 0.47840684380747 0.12212139651735 22.990 18 Na 0.24000388419967 0.97840684380747 0.37787860348265 22.990 19 Na 0.24000388419967 0.52159315619253 0.87787860348265 22.990 20 Na 0.75999611580033 0.02159315619253 0.62212139651735 22.990 21 Na 0.74909399363375 0.03228218033715 0.00848570473484 22.990 22 Na 0.25090600636625 0.53228218033715 0.49151429526515 22.990 23 Na 0.25090600636625 0.96771781966285 0.99151429526515 22.990 24 Na 0.74909399363375 0.46771781966285 0.50848570473485 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.370652360260175 0.000000000000000 0.000000000000000 b 0.000000000000000 7.913957260000000 0.000000000000000 c -5.687113487304976 0.000000000000000 14.582458808242922 Atomic positions (fractional): 1 B 0.39298441583627 0.32216486929469 0.41183294912763 10.811 > 1 2 B 0.89298441583627 0.32216486929469 0.41183294912763 10.811 > 1 3 B 0.39298441583627 0.32216486929469 0.91183294912763 10.811 > 1 4 B 0.89298441583627 0.32216486929469 0.91183294912763 10.811 > 1 5 B 0.10701558416373 0.67783513070531 0.08816705087237 10.811 > 5 6 B 0.60701558416373 0.67783513070531 0.08816705087237 10.811 > 5 7 B 0.10701558416373 0.67783513070531 0.58816705087237 10.811 > 5 8 B 0.60701558416373 0.67783513070531 0.58816705087237 10.811 > 5 9 B 0.39298441583627 0.17783513070531 0.16183294912763 10.811 > 9 10 B 0.89298441583627 0.17783513070531 0.16183294912763 10.811 > 9 11 B 0.39298441583627 0.17783513070531 0.66183294912763 10.811 > 9 12 B 0.89298441583627 0.17783513070531 0.66183294912763 10.811 > 9 13 B 0.10701558416373 0.82216486929469 0.33816705087237 10.811 > 13 14 B 0.60701558416373 0.82216486929469 0.33816705087237 10.811 > 13 15 B 0.10701558416373 0.82216486929469 0.83816705087237 10.811 > 13 16 B 0.60701558416373 0.82216486929469 0.83816705087237 10.811 > 13 17 N 0.20878800963560 0.92585416212344 0.36182682538404 14.007 > 17 18 N 0.70878800963560 0.92585416212344 0.36182682538404 14.007 > 17 19 N 0.20878800963560 0.92585416212344 0.86182682538404 14.007 > 17 20 N 0.70878800963560 0.92585416212344 0.86182682538404 14.007 > 17 21 N 0.49529686573421 0.21973596624815 0.43530685667383 14.007 > 21 22 N 0.99529686573421 0.21973596624815 0.43530685667383 14.007 > 21 23 N 0.49529686573421 0.21973596624815 0.93530685667383 14.007 > 21 24 N 0.99529686573421 0.21973596624815 0.93530685667383 14.007 > 21 25 N 0.29121199036440 0.07414583787656 0.13817317461596 14.007 > 25 26 N 0.79121199036440 0.07414583787656 0.13817317461596 14.007 > 25 27 N 0.29121199036440 0.07414583787656 0.63817317461596 14.007 > 25 28 N 0.79121199036440 0.07414583787656 0.63817317461596 14.007 > 25 29 N 0.29121199036440 0.42585416212344 0.38817317461596 14.007 > 29 30 N 0.79121199036440 0.42585416212344 0.38817317461596 14.007 > 29 31 N 0.29121199036440 0.42585416212344 0.88817317461596 14.007 > 29 32 N 0.79121199036440 0.42585416212344 0.88817317461596 14.007 > 29 33 N 0.00470313426579 0.71973596624815 0.31469314332617 14.007 > 33 34 N 0.50470313426579 0.71973596624815 0.31469314332617 14.007 > 33 35 N 0.00470313426579 0.71973596624815 0.81469314332617 14.007 > 33 36 N 0.50470313426579 0.71973596624815 0.81469314332617 14.007 > 33 37 N 0.00470313426579 0.78026403375185 0.06469314332617 14.007 > 37 38 N 0.50470313426579 0.78026403375185 0.06469314332617 14.007 > 37 39 N 0.00470313426579 0.78026403375185 0.56469314332617 14.007 > 37 40 N 0.50470313426579 0.78026403375185 0.56469314332617 14.007 > 37 41 N 0.20878800963560 0.57414583787656 0.11182682538404 14.007 > 41 42 N 0.70878800963560 0.57414583787656 0.11182682538404 14.007 > 41 43 N 0.20878800963560 0.57414583787656 0.61182682538404 14.007 > 41 44 N 0.70878800963560 0.57414583787656 0.61182682538404 14.007 > 41 45 N 0.49529686573421 0.28026403375185 0.18530685667383 14.007 > 45 46 N 0.99529686573421 0.28026403375185 0.18530685667383 14.007 > 45 47 N 0.49529686573421 0.28026403375185 0.68530685667383 14.007 > 45 48 N 0.99529686573421 0.28026403375185 0.68530685667383 14.007 > 45 49 Na 0.12943056338715 0.29135869268641 0.09332673402212 22.990 > 49 50 Na 0.62943056338715 0.29135869268641 0.09332673402212 22.990 > 49 51 Na 0.12943056338715 0.29135869268641 0.59332673402212 22.990 > 49 52 Na 0.62943056338715 0.29135869268641 0.59332673402212 22.990 > 49 53 Na 0.37056943661285 0.79135869268641 0.15667326597788 22.990 > 53 54 Na 0.87056943661285 0.79135869268641 0.15667326597788 22.990 > 53 55 Na 0.37056943661285 0.79135869268641 0.65667326597788 22.990 > 53 56 Na 0.87056943661285 0.79135869268641 0.65667326597788 22.990 > 53 57 Na 0.37056943661285 0.70864130731359 0.40667326597788 22.990 > 57 58 Na 0.87056943661285 0.70864130731359 0.40667326597788 22.990 > 57 59 Na 0.37056943661285 0.70864130731359 0.90667326597788 22.990 > 57 60 Na 0.87056943661285 0.70864130731359 0.90667326597788 22.990 > 57 61 Na 0.12943056338715 0.20864130731359 0.34332673402212 22.990 > 61 62 Na 0.62943056338715 0.20864130731359 0.34332673402212 22.990 > 61 63 Na 0.12943056338715 0.20864130731359 0.84332673402212 22.990 > 61 64 Na 0.62943056338715 0.20864130731359 0.84332673402212 22.990 > 61 65 Na 0.37999805790016 0.47840684380747 0.06106069825868 22.990 > 65 66 Na 0.87999805790016 0.47840684380747 0.06106069825868 22.990 > 65 67 Na 0.37999805790016 0.47840684380747 0.56106069825867 22.990 > 65 68 Na 0.87999805790016 0.47840684380747 0.56106069825867 22.990 > 65 69 Na 0.12000194209984 0.97840684380747 0.18893930174133 22.990 > 69 70 Na 0.62000194209984 0.97840684380747 0.18893930174133 22.990 > 69 71 Na 0.12000194209984 0.97840684380747 0.68893930174133 22.990 > 69 72 Na 0.62000194209984 0.97840684380747 0.68893930174133 22.990 > 69 73 Na 0.12000194209984 0.52159315619253 0.43893930174133 22.990 > 73 74 Na 0.62000194209984 0.52159315619253 0.43893930174133 22.990 > 73 75 Na 0.12000194209984 0.52159315619253 0.93893930174133 22.990 > 73 76 Na 0.62000194209984 0.52159315619253 0.93893930174133 22.990 > 73 77 Na 0.37999805790016 0.02159315619253 0.31106069825867 22.990 > 77 78 Na 0.87999805790016 0.02159315619253 0.31106069825867 22.990 > 77 79 Na 0.37999805790016 0.02159315619253 0.81106069825867 22.990 > 77 80 Na 0.87999805790016 0.02159315619253 0.81106069825867 22.990 > 77 81 Na 0.37454699681687 0.03228218033715 0.00424285236742 22.990 > 81 82 Na 0.87454699681687 0.03228218033715 0.00424285236742 22.990 > 81 83 Na 0.37454699681687 0.03228218033715 0.50424285236742 22.990 > 81 84 Na 0.87454699681687 0.03228218033715 0.50424285236742 22.990 > 81 85 Na 0.12545300318313 0.53228218033715 0.24575714763258 22.990 > 85 86 Na 0.62545300318313 0.53228218033715 0.24575714763258 22.990 > 85 87 Na 0.12545300318313 0.53228218033715 0.74575714763258 22.990 > 85 88 Na 0.62545300318313 0.53228218033715 0.74575714763258 22.990 > 85 89 Na 0.12545300318313 0.96771781966285 0.49575714763258 22.990 > 89 90 Na 0.62545300318313 0.96771781966285 0.49575714763258 22.990 > 89 91 Na 0.12545300318313 0.96771781966285 0.99575714763258 22.990 > 89 92 Na 0.62545300318313 0.96771781966285 0.99575714763258 22.990 > 89 93 Na 0.37454699681687 0.46771781966285 0.25424285236742 22.990 > 93 94 Na 0.87454699681687 0.46771781966285 0.25424285236742 22.990 > 93 95 Na 0.37454699681687 0.46771781966285 0.75424285236742 22.990 > 93 96 Na 0.87454699681687 0.46771781966285 0.75424285236742 22.990 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4803066 0.0000000 0.1259592 0.0000000 3.3771954 0.0000000 0.1259849 0.0000000 3.0872239 -------------------------- Born effective charges -------------------------- 1 B 1.4688144 -1.5268419 0.6556743 -1.4514076 0.7073939 -0.5109133 0.6132772 -0.4829793 -0.2942949 2 B 1.4688144 -1.5268419 0.6556743 -1.4514076 0.7073939 -0.5109133 0.6132772 -0.4829793 -0.2942949 3 B 1.4688144 1.5268419 0.6556743 1.4514076 0.7073939 0.5109133 0.6132772 0.4829793 -0.2942949 4 B 1.4688144 1.5268419 0.6556743 1.4514076 0.7073939 0.5109133 0.6132772 0.4829793 -0.2942949 5 N -2.2922796 -0.7191611 -0.3554588 -0.8173996 -1.8533075 -0.2828002 -0.3370098 -0.2207859 -1.3242306 6 N -2.1862096 0.8218872 -0.2920602 0.7548808 -1.9055200 0.2367387 -0.2642042 0.2794988 -1.3881168 7 N -2.2922796 -0.7191611 -0.3554588 -0.8173996 -1.8533075 -0.2828002 -0.3370098 -0.2207859 -1.3242306 8 N -2.2922796 0.7191611 -0.3554588 0.8173996 -1.8533075 0.2828002 -0.3370098 0.2207859 -1.3242306 9 N -2.1862096 -0.8218872 -0.2920602 -0.7548808 -1.9055200 -0.2367387 -0.2642042 -0.2794988 -1.3881168 10 N -2.1862096 0.8218872 -0.2920602 0.7548808 -1.9055200 0.2367387 -0.2642042 0.2794988 -1.3881168 11 N -2.2922796 0.7191611 -0.3554588 0.8173996 -1.8533075 0.2828002 -0.3370098 0.2207859 -1.3242306 12 N -2.1862096 -0.8218872 -0.2920602 -0.7548808 -1.9055200 -0.2367387 -0.2642042 -0.2794988 -1.3881168 13 Na 1.0312373 -0.0553664 0.0411137 0.0430242 0.9374706 -0.0508294 0.0557677 -0.0197951 0.9222933 14 Na 1.0312373 0.0553664 0.0411137 -0.0430242 0.9374706 0.0508294 0.0557677 0.0197951 0.9222933 15 Na 1.0312373 -0.0553664 0.0411137 0.0430242 0.9374706 -0.0508294 0.0557677 -0.0197951 0.9222933 16 Na 1.0312373 0.0553664 0.0411137 -0.0430242 0.9374706 0.0508294 0.0557677 0.0197951 0.9222933 17 Na 1.0674672 0.0778909 -0.1162298 -0.0234054 1.0172119 0.0570291 -0.0611675 0.0371689 0.9772263 18 Na 1.0674672 -0.0778909 -0.1162298 0.0234054 1.0172119 -0.0570291 -0.0611675 -0.0371689 0.9772263 19 Na 1.0674672 0.0778909 -0.1162298 -0.0234054 1.0172119 0.0570291 -0.0611675 0.0371689 0.9772263 20 Na 1.0674672 -0.0778909 -0.1162298 0.0234054 1.0172119 -0.0570291 -0.0611675 -0.0371689 0.9772263 21 Na 0.9109702 -0.0696356 0.0669608 -0.0063313 1.0967511 0.0358658 -0.0066634 -0.0294506 1.1071228 22 Na 0.9109702 0.0696356 0.0669608 0.0063313 1.0967511 -0.0358658 -0.0066634 0.0294506 1.1071228 23 Na 0.9109702 -0.0696356 0.0669608 -0.0063313 1.0967511 0.0358658 -0.0066634 -0.0294506 1.1071228 24 Na 0.9109702 0.0696356 0.0669608 0.0063313 1.0967511 -0.0358658 -0.0066634 0.0294506 1.1071228 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 21, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 81, 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:28:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:28:15]------------------------- 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: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.685326180130088 0.000000000000000 0.000000000000000 b 0.000000000000000 7.913957260000000 0.000000000000000 c -2.843556743652488 0.000000000000000 7.291229404121461 Atomic positions (fractional): 1 B 0.78596883167254 0.32216486929469 0.82366589825527 10.811 2 B 0.21403116832746 0.67783513070531 0.17633410174473 10.811 3 B 0.78596883167254 0.17783513070531 0.32366589825527 10.811 4 B 0.21403116832746 0.82216486929469 0.67633410174473 10.811 5 N 0.41757601927119 0.92585416212344 0.72365365076807 14.007 6 N 0.99059373146841 0.21973596624815 0.87061371334765 14.007 7 N 0.58242398072880 0.07414583787656 0.27634634923193 14.007 8 N 0.58242398072880 0.42585416212344 0.77634634923193 14.007 9 N 0.00940626853159 0.71973596624815 0.62938628665235 14.007 10 N 0.00940626853159 0.78026403375185 0.12938628665235 14.007 11 N 0.41757601927119 0.57414583787656 0.22365365076807 14.007 12 N 0.99059373146841 0.28026403375185 0.37061371334765 14.007 13 Na 0.25886112677430 0.29135869268641 0.18665346804424 22.990 14 Na 0.74113887322570 0.79135869268641 0.31334653195576 22.990 15 Na 0.74113887322570 0.70864130731359 0.81334653195576 22.990 16 Na 0.25886112677430 0.20864130731359 0.68665346804424 22.990 17 Na 0.75999611580033 0.47840684380747 0.12212139651735 22.990 18 Na 0.24000388419967 0.97840684380747 0.37787860348265 22.990 19 Na 0.24000388419967 0.52159315619253 0.87787860348265 22.990 20 Na 0.75999611580033 0.02159315619253 0.62212139651735 22.990 21 Na 0.74909399363375 0.03228218033715 0.00848570473484 22.990 22 Na 0.25090600636625 0.53228218033715 0.49151429526515 22.990 23 Na 0.25090600636625 0.96771781966285 0.99151429526515 22.990 24 Na 0.74909399363375 0.46771781966285 0.50848570473485 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.370652360260175 0.000000000000000 0.000000000000000 b 0.000000000000000 7.913957260000000 0.000000000000000 c -5.687113487304976 0.000000000000000 14.582458808242922 Atomic positions (fractional): 1 B 0.39298441583627 0.32216486929469 0.41183294912763 10.811 > 1 2 B 0.89298441583627 0.32216486929469 0.41183294912763 10.811 > 1 3 B 0.39298441583627 0.32216486929469 0.91183294912763 10.811 > 1 4 B 0.89298441583627 0.32216486929469 0.91183294912763 10.811 > 1 5 B 0.10701558416373 0.67783513070531 0.08816705087237 10.811 > 5 6 B 0.60701558416373 0.67783513070531 0.08816705087237 10.811 > 5 7 B 0.10701558416373 0.67783513070531 0.58816705087237 10.811 > 5 8 B 0.60701558416373 0.67783513070531 0.58816705087237 10.811 > 5 9 B 0.39298441583627 0.17783513070531 0.16183294912763 10.811 > 9 10 B 0.89298441583627 0.17783513070531 0.16183294912763 10.811 > 9 11 B 0.39298441583627 0.17783513070531 0.66183294912763 10.811 > 9 12 B 0.89298441583627 0.17783513070531 0.66183294912763 10.811 > 9 13 B 0.10701558416373 0.82216486929469 0.33816705087237 10.811 > 13 14 B 0.60701558416373 0.82216486929469 0.33816705087237 10.811 > 13 15 B 0.10701558416373 0.82216486929469 0.83816705087237 10.811 > 13 16 B 0.60701558416373 0.82216486929469 0.83816705087237 10.811 > 13 17 N 0.20878800963560 0.92585416212344 0.36182682538404 14.007 > 17 18 N 0.70878800963560 0.92585416212344 0.36182682538404 14.007 > 17 19 N 0.20878800963560 0.92585416212344 0.86182682538404 14.007 > 17 20 N 0.70878800963560 0.92585416212344 0.86182682538404 14.007 > 17 21 N 0.49529686573421 0.21973596624815 0.43530685667383 14.007 > 21 22 N 0.99529686573421 0.21973596624815 0.43530685667383 14.007 > 21 23 N 0.49529686573421 0.21973596624815 0.93530685667383 14.007 > 21 24 N 0.99529686573421 0.21973596624815 0.93530685667383 14.007 > 21 25 N 0.29121199036440 0.07414583787656 0.13817317461596 14.007 > 25 26 N 0.79121199036440 0.07414583787656 0.13817317461596 14.007 > 25 27 N 0.29121199036440 0.07414583787656 0.63817317461596 14.007 > 25 28 N 0.79121199036440 0.07414583787656 0.63817317461596 14.007 > 25 29 N 0.29121199036440 0.42585416212344 0.38817317461596 14.007 > 29 30 N 0.79121199036440 0.42585416212344 0.38817317461596 14.007 > 29 31 N 0.29121199036440 0.42585416212344 0.88817317461596 14.007 > 29 32 N 0.79121199036440 0.42585416212344 0.88817317461596 14.007 > 29 33 N 0.00470313426579 0.71973596624815 0.31469314332617 14.007 > 33 34 N 0.50470313426579 0.71973596624815 0.31469314332617 14.007 > 33 35 N 0.00470313426579 0.71973596624815 0.81469314332617 14.007 > 33 36 N 0.50470313426579 0.71973596624815 0.81469314332617 14.007 > 33 37 N 0.00470313426579 0.78026403375185 0.06469314332617 14.007 > 37 38 N 0.50470313426579 0.78026403375185 0.06469314332617 14.007 > 37 39 N 0.00470313426579 0.78026403375185 0.56469314332617 14.007 > 37 40 N 0.50470313426579 0.78026403375185 0.56469314332617 14.007 > 37 41 N 0.20878800963560 0.57414583787656 0.11182682538404 14.007 > 41 42 N 0.70878800963560 0.57414583787656 0.11182682538404 14.007 > 41 43 N 0.20878800963560 0.57414583787656 0.61182682538404 14.007 > 41 44 N 0.70878800963560 0.57414583787656 0.61182682538404 14.007 > 41 45 N 0.49529686573421 0.28026403375185 0.18530685667383 14.007 > 45 46 N 0.99529686573421 0.28026403375185 0.18530685667383 14.007 > 45 47 N 0.49529686573421 0.28026403375185 0.68530685667383 14.007 > 45 48 N 0.99529686573421 0.28026403375185 0.68530685667383 14.007 > 45 49 Na 0.12943056338715 0.29135869268641 0.09332673402212 22.990 > 49 50 Na 0.62943056338715 0.29135869268641 0.09332673402212 22.990 > 49 51 Na 0.12943056338715 0.29135869268641 0.59332673402212 22.990 > 49 52 Na 0.62943056338715 0.29135869268641 0.59332673402212 22.990 > 49 53 Na 0.37056943661285 0.79135869268641 0.15667326597788 22.990 > 53 54 Na 0.87056943661285 0.79135869268641 0.15667326597788 22.990 > 53 55 Na 0.37056943661285 0.79135869268641 0.65667326597788 22.990 > 53 56 Na 0.87056943661285 0.79135869268641 0.65667326597788 22.990 > 53 57 Na 0.37056943661285 0.70864130731359 0.40667326597788 22.990 > 57 58 Na 0.87056943661285 0.70864130731359 0.40667326597788 22.990 > 57 59 Na 0.37056943661285 0.70864130731359 0.90667326597788 22.990 > 57 60 Na 0.87056943661285 0.70864130731359 0.90667326597788 22.990 > 57 61 Na 0.12943056338715 0.20864130731359 0.34332673402212 22.990 > 61 62 Na 0.62943056338715 0.20864130731359 0.34332673402212 22.990 > 61 63 Na 0.12943056338715 0.20864130731359 0.84332673402212 22.990 > 61 64 Na 0.62943056338715 0.20864130731359 0.84332673402212 22.990 > 61 65 Na 0.37999805790016 0.47840684380747 0.06106069825868 22.990 > 65 66 Na 0.87999805790016 0.47840684380747 0.06106069825868 22.990 > 65 67 Na 0.37999805790016 0.47840684380747 0.56106069825867 22.990 > 65 68 Na 0.87999805790016 0.47840684380747 0.56106069825867 22.990 > 65 69 Na 0.12000194209984 0.97840684380747 0.18893930174133 22.990 > 69 70 Na 0.62000194209984 0.97840684380747 0.18893930174133 22.990 > 69 71 Na 0.12000194209984 0.97840684380747 0.68893930174133 22.990 > 69 72 Na 0.62000194209984 0.97840684380747 0.68893930174133 22.990 > 69 73 Na 0.12000194209984 0.52159315619253 0.43893930174133 22.990 > 73 74 Na 0.62000194209984 0.52159315619253 0.43893930174133 22.990 > 73 75 Na 0.12000194209984 0.52159315619253 0.93893930174133 22.990 > 73 76 Na 0.62000194209984 0.52159315619253 0.93893930174133 22.990 > 73 77 Na 0.37999805790016 0.02159315619253 0.31106069825867 22.990 > 77 78 Na 0.87999805790016 0.02159315619253 0.31106069825867 22.990 > 77 79 Na 0.37999805790016 0.02159315619253 0.81106069825867 22.990 > 77 80 Na 0.87999805790016 0.02159315619253 0.81106069825867 22.990 > 77 81 Na 0.37454699681687 0.03228218033715 0.00424285236742 22.990 > 81 82 Na 0.87454699681687 0.03228218033715 0.00424285236742 22.990 > 81 83 Na 0.37454699681687 0.03228218033715 0.50424285236742 22.990 > 81 84 Na 0.87454699681687 0.03228218033715 0.50424285236742 22.990 > 81 85 Na 0.12545300318313 0.53228218033715 0.24575714763258 22.990 > 85 86 Na 0.62545300318313 0.53228218033715 0.24575714763258 22.990 > 85 87 Na 0.12545300318313 0.53228218033715 0.74575714763258 22.990 > 85 88 Na 0.62545300318313 0.53228218033715 0.74575714763258 22.990 > 85 89 Na 0.12545300318313 0.96771781966285 0.49575714763258 22.990 > 89 90 Na 0.62545300318313 0.96771781966285 0.49575714763258 22.990 > 89 91 Na 0.12545300318313 0.96771781966285 0.99575714763258 22.990 > 89 92 Na 0.62545300318313 0.96771781966285 0.99575714763258 22.990 > 89 93 Na 0.37454699681687 0.46771781966285 0.25424285236742 22.990 > 93 94 Na 0.87454699681687 0.46771781966285 0.25424285236742 22.990 > 93 95 Na 0.37454699681687 0.46771781966285 0.75424285236742 22.990 > 93 96 Na 0.87454699681687 0.46771781966285 0.75424285236742 22.990 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4803066 0.0000000 0.1259592 0.0000000 3.3771954 0.0000000 0.1259849 0.0000000 3.0872239 -------------------------- Born effective charges -------------------------- 1 B 1.4688144 -1.5268419 0.6556743 -1.4514076 0.7073939 -0.5109133 0.6132772 -0.4829793 -0.2942949 2 B 1.4688144 -1.5268419 0.6556743 -1.4514076 0.7073939 -0.5109133 0.6132772 -0.4829793 -0.2942949 3 B 1.4688144 1.5268419 0.6556743 1.4514076 0.7073939 0.5109133 0.6132772 0.4829793 -0.2942949 4 B 1.4688144 1.5268419 0.6556743 1.4514076 0.7073939 0.5109133 0.6132772 0.4829793 -0.2942949 5 N -2.2922796 -0.7191611 -0.3554588 -0.8173996 -1.8533075 -0.2828002 -0.3370098 -0.2207859 -1.3242306 6 N -2.1862096 0.8218872 -0.2920602 0.7548808 -1.9055200 0.2367387 -0.2642042 0.2794988 -1.3881168 7 N -2.2922796 -0.7191611 -0.3554588 -0.8173996 -1.8533075 -0.2828002 -0.3370098 -0.2207859 -1.3242306 8 N -2.2922796 0.7191611 -0.3554588 0.8173996 -1.8533075 0.2828002 -0.3370098 0.2207859 -1.3242306 9 N -2.1862096 -0.8218872 -0.2920602 -0.7548808 -1.9055200 -0.2367387 -0.2642042 -0.2794988 -1.3881168 10 N -2.1862096 0.8218872 -0.2920602 0.7548808 -1.9055200 0.2367387 -0.2642042 0.2794988 -1.3881168 11 N -2.2922796 0.7191611 -0.3554588 0.8173996 -1.8533075 0.2828002 -0.3370098 0.2207859 -1.3242306 12 N -2.1862096 -0.8218872 -0.2920602 -0.7548808 -1.9055200 -0.2367387 -0.2642042 -0.2794988 -1.3881168 13 Na 1.0312373 -0.0553664 0.0411137 0.0430242 0.9374706 -0.0508294 0.0557677 -0.0197951 0.9222933 14 Na 1.0312373 0.0553664 0.0411137 -0.0430242 0.9374706 0.0508294 0.0557677 0.0197951 0.9222933 15 Na 1.0312373 -0.0553664 0.0411137 0.0430242 0.9374706 -0.0508294 0.0557677 -0.0197951 0.9222933 16 Na 1.0312373 0.0553664 0.0411137 -0.0430242 0.9374706 0.0508294 0.0557677 0.0197951 0.9222933 17 Na 1.0674672 0.0778909 -0.1162298 -0.0234054 1.0172119 0.0570291 -0.0611675 0.0371689 0.9772263 18 Na 1.0674672 -0.0778909 -0.1162298 0.0234054 1.0172119 -0.0570291 -0.0611675 -0.0371689 0.9772263 19 Na 1.0674672 0.0778909 -0.1162298 -0.0234054 1.0172119 0.0570291 -0.0611675 0.0371689 0.9772263 20 Na 1.0674672 -0.0778909 -0.1162298 0.0234054 1.0172119 -0.0570291 -0.0611675 -0.0371689 0.9772263 21 Na 0.9109702 -0.0696356 0.0669608 -0.0063313 1.0967511 0.0358658 -0.0066634 -0.0294506 1.1071228 22 Na 0.9109702 0.0696356 0.0669608 0.0063313 1.0967511 -0.0358658 -0.0066634 0.0294506 1.1071228 23 Na 0.9109702 -0.0696356 0.0669608 -0.0063313 1.0967511 0.0358658 -0.0066634 -0.0294506 1.1071228 24 Na 0.9109702 0.0696356 0.0669608 0.0063313 1.0967511 -0.0358658 -0.0066634 0.0294506 1.1071228 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) 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 ... [ 9 6 7 ] 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: 0.60, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 6.408 ( 0.000 0.000 0.000) 0.000 6.520 ( 0.000 0.000 0.000) 0.000 6.542 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.724 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 8.322 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 9.211 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 17.548 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.684 ( 0.000 0.000 0.000) 0.000 17.713 ( 0.000 0.000 0.000) 0.000 17.940 ( 0.000 0.000 0.000) 0.000 17.977 ( 0.000 0.000 0.000) 0.000 18.023 ( 0.000 0.000 0.000) 0.000 18.030 ( 0.000 0.000 0.000) 0.000 30.319 ( 0.000 0.000 0.000) 0.000 30.351 ( 0.000 0.000 0.000) 0.000 30.383 ( 0.000 0.000 0.000) 0.000 30.434 ( 0.000 0.000 0.000) 0.000 49.066 ( 0.000 0.000 0.000) 0.000 49.193 ( 0.000 0.000 0.000) 0.000 49.207 ( 0.000 0.000 0.000) 0.000 49.570 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 23.569 0.000 16.315) 28.665 0.832 ( 33.731 0.000 20.212) 39.323 1.351 ( 60.806 0.000 18.730) 63.625 2.998 ( 3.068 0.000 -0.916) 3.202 3.245 ( -5.123 0.000 0.185) 5.126 3.326 ( 1.222 0.000 -4.394) 4.561 3.457 ( -1.547 0.000 -3.140) 3.500 3.797 ( -4.244 0.000 -5.434) 6.895 3.811 ( 8.359 0.000 -2.920) 8.854 4.003 ( 8.125 0.000 4.063) 9.084 4.043 ( -1.194 0.000 -5.861) 5.982 4.134 ( -8.611 0.000 -6.024) 10.509 4.230 ( -0.911 0.000 -0.836) 1.237 4.325 ( 9.932 0.000 5.217) 11.218 4.338 ( -2.881 0.000 -7.329) 7.875 4.557 ( -0.615 0.000 5.728) 5.761 4.893 ( 0.288 0.000 3.782) 3.793 4.941 ( -1.289 0.000 4.988) 5.152 5.064 ( -6.556 0.000 -0.196) 6.558 5.080 ( -1.309 0.000 -4.165) 4.366 5.188 ( 7.974 0.000 4.691) 9.251 5.427 ( 0.255 0.000 -2.488) 2.501 5.482 ( 7.206 0.000 0.934) 7.266 5.627 ( -5.696 0.000 -0.675) 5.735 5.775 ( 1.686 0.000 0.842) 1.885 5.906 ( -0.572 0.000 1.896) 1.980 6.063 ( 8.092 0.000 7.863) 11.283 6.210 ( -14.543 0.000 -5.895) 15.692 6.345 ( -8.446 0.000 -4.691) 9.662 6.542 ( 1.221 0.000 -5.682) 5.812 6.555 ( 2.602 0.000 -4.419) 5.128 6.623 ( -3.660 0.000 4.586) 5.868 6.786 ( -2.683 0.000 -2.391) 3.594 6.819 ( 0.577 0.000 -5.399) 5.430 6.908 ( 2.418 0.000 6.124) 6.584 7.008 ( 2.562 0.000 -13.428) 13.670 7.087 ( -5.205 0.000 1.097) 5.319 7.154 ( 4.814 0.000 -7.462) 8.880 7.323 ( -3.171 0.000 5.710) 6.532 7.352 ( -2.986 0.000 16.383) 16.653 7.563 ( -1.201 0.000 2.279) 2.576 7.644 ( 3.709 0.000 -21.525) 21.842 7.689 ( 0.978 0.000 11.202) 11.244 7.802 ( -2.136 0.000 8.159) 8.434 8.174 ( -0.257 0.000 -6.805) 6.810 8.299 ( -6.195 0.000 -1.054) 6.284 8.319 ( 5.018 0.000 -0.519) 5.045 8.334 ( 6.654 0.000 -4.716) 8.156 8.494 ( -0.259 0.000 1.733) 1.752 9.079 ( -5.405 0.000 -12.204) 13.347 9.388 ( -0.082 0.000 9.015) 9.015 9.523 ( -5.230 0.000 12.538) 13.585 9.558 ( -2.127 0.000 -0.501) 2.185 9.695 ( 3.144 0.000 -3.833) 4.958 9.817 ( -11.866 0.000 10.738) 16.003 10.841 ( -7.672 0.000 -3.078) 8.266 17.582 ( 0.224 0.000 -0.372) 0.434 17.599 ( -0.015 0.000 1.251) 1.251 17.682 ( -0.238 0.000 0.105) 0.260 17.713 ( -0.009 0.000 0.019) 0.021 17.941 ( 0.150 0.000 -0.754) 0.769 17.981 ( 0.320 0.000 0.061) 0.326 18.019 ( -0.180 0.000 -0.106) 0.209 18.033 ( 0.154 0.000 0.141) 0.208 30.327 ( 1.094 0.000 -0.765) 1.335 30.369 ( 1.055 0.000 1.236) 1.625 30.392 ( 0.894 0.000 -0.382) 0.972 30.420 ( -1.209 0.000 0.150) 1.218 49.082 ( 2.744 0.000 -3.228) 4.236 49.297 ( 7.883 0.000 2.633) 8.311 49.549 ( -0.763 0.000 -2.708) 2.813 50.935 ( 1.718 0.000 -8.765) 8.932 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 22.596 0.000 15.486) 27.393 1.605 ( 30.225 0.000 16.991) 34.674 2.624 ( 53.701 0.000 16.140) 56.074 3.068 ( 5.013 0.000 -3.286) 5.994 3.146 ( -1.553 0.000 -5.371) 5.591 3.293 ( -9.791 0.000 -9.584) 13.701 3.364 ( 0.622 0.000 8.183) 8.206 3.662 ( -8.796 0.000 -8.791) 12.436 3.907 ( 0.065 0.000 -0.131) 0.146 3.979 ( 10.757 0.000 -4.265) 11.571 4.020 ( 0.530 0.000 -5.376) 5.402 4.087 ( -1.315 0.000 -5.531) 5.685 4.156 ( -8.833 0.000 -8.963) 12.584 4.224 ( 2.984 0.000 0.836) 3.098 4.629 ( 1.567 0.000 0.428) 1.625 4.681 ( 18.163 0.000 6.038) 19.140 4.814 ( -6.366 0.000 -1.048) 6.452 4.949 ( -0.248 0.000 0.795) 0.833 5.011 ( -4.659 0.000 4.693) 6.613 5.060 ( 1.102 0.000 2.281) 2.533 5.288 ( -0.581 0.000 5.241) 5.273 5.422 ( 4.282 0.000 -6.959) 8.171 5.457 ( -8.255 0.000 -0.505) 8.270 5.632 ( 0.659 0.000 8.383) 8.409 5.769 ( -1.235 0.000 -1.674) 2.081 5.888 ( -14.098 0.000 1.100) 14.141 6.056 ( 13.112 0.000 2.634) 13.374 6.158 ( -6.477 0.000 -5.545) 8.527 6.269 ( 7.160 0.000 4.593) 8.507 6.521 ( -5.758 0.000 -2.632) 6.331 6.548 ( 4.880 0.000 -6.191) 7.883 6.597 ( 2.092 0.000 -4.238) 4.727 6.671 ( -3.148 0.000 -5.180) 6.061 6.794 ( -2.639 0.000 3.863) 4.679 6.914 ( -1.962 0.000 -9.072) 9.282 6.982 ( -0.437 0.000 4.650) 4.671 7.057 ( 2.590 0.000 -1.748) 3.124 7.123 ( -1.485 0.000 -8.985) 9.107 7.345 ( -3.764 0.000 0.784) 3.845 7.363 ( 1.571 0.000 5.620) 5.836 7.564 ( -3.201 0.000 8.024) 8.639 7.580 ( -1.047 0.000 -2.005) 2.262 7.800 ( 2.540 0.000 8.750) 9.111 7.805 ( -4.877 0.000 9.994) 11.121 7.987 ( -13.361 0.000 -7.952) 15.548 8.225 ( -0.646 0.000 0.742) 0.984 8.389 ( 0.506 0.000 3.268) 3.307 8.421 ( 6.232 0.000 -6.803) 9.227 8.560 ( 6.942 0.000 -4.654) 8.358 8.874 ( -5.929 0.000 -7.656) 9.683 9.431 ( -0.090 0.000 2.238) 2.240 9.462 ( -8.713 0.000 -0.387) 8.722 9.513 ( -8.461 0.000 20.447) 22.128 9.652 ( -6.985 0.000 0.536) 7.006 9.731 ( 3.443 0.000 -4.011) 5.285 10.611 ( -11.939 0.000 -4.810) 12.871 17.584 ( 0.377 0.000 -0.603) 0.711 17.613 ( 0.589 0.000 0.842) 1.028 17.676 ( -0.376 0.000 0.187) 0.420 17.711 ( -0.199 0.000 -0.066) 0.210 17.940 ( 0.154 0.000 -0.319) 0.354 17.988 ( 0.280 0.000 -0.006) 0.280 18.016 ( -0.113 0.000 0.011) 0.113 18.036 ( 0.022 0.000 0.039) 0.045 30.347 ( 1.531 0.000 -1.057) 1.861 30.373 ( -1.472 0.000 0.791) 1.671 30.403 ( 0.592 0.000 -1.028) 1.187 30.425 ( 1.145 0.000 1.289) 1.724 49.114 ( 3.634 0.000 -5.503) 6.594 49.515 ( 0.126 0.000 -3.327) 3.330 49.531 ( 12.539 0.000 4.208) 13.226 50.885 ( -1.520 0.000 -4.711) 4.950 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 21.075 0.000 14.131) 25.375 2.242 ( 23.051 0.000 11.083) 25.577 2.983 ( -13.248 0.000 -10.075) 16.643 3.101 ( 0.099 0.000 -1.343) 1.347 3.130 ( 3.775 0.000 -4.531) 5.897 3.323 ( -6.169 0.000 -6.389) 8.881 3.492 ( 4.074 0.000 12.628) 13.269 3.517 ( 12.518 0.000 -1.536) 12.612 3.915 ( -7.365 0.000 -4.824) 8.804 3.944 ( -3.839 0.000 -10.439) 11.122 3.965 ( -0.232 0.000 -0.996) 1.023 4.111 ( 4.010 0.000 -8.416) 9.323 4.270 ( 31.547 0.000 9.181) 32.856 4.288 ( 1.318 0.000 0.900) 1.596 4.618 ( 1.334 0.000 -6.575) 6.708 4.655 ( -6.020 0.000 -1.444) 6.190 4.860 ( -7.195 0.000 1.925) 7.448 4.950 ( 0.985 0.000 -1.769) 2.025 5.108 ( 14.889 0.000 4.715) 15.618 5.121 ( -0.652 0.000 10.920) 10.940 5.304 ( -0.010 0.000 0.893) 0.893 5.343 ( -3.026 0.000 -1.266) 3.280 5.432 ( -0.100 0.000 -3.001) 3.002 5.671 ( 2.957 0.000 0.025) 2.957 5.750 ( -5.335 0.000 10.162) 11.478 5.790 ( 1.725 0.000 5.371) 5.641 6.027 ( -1.994 0.000 -4.538) 4.956 6.300 ( 8.700 0.000 -6.633) 10.940 6.371 ( 4.456 0.000 -2.893) 5.313 6.387 ( -4.321 0.000 -3.580) 5.611 6.482 ( -8.344 0.000 -0.848) 8.387 6.674 ( 5.688 0.000 7.941) 9.768 6.681 ( 3.947 0.000 -4.042) 5.649 6.765 ( -3.058 0.000 3.957) 5.001 6.776 ( -4.309 0.000 -9.125) 10.091 6.995 ( -3.659 0.000 -7.783) 8.600 7.024 ( 0.713 0.000 4.623) 4.678 7.092 ( -1.766 0.000 1.277) 2.180 7.258 ( -5.721 0.000 -4.513) 7.287 7.418 ( 1.935 0.000 -0.985) 2.171 7.527 ( -4.697 0.000 -2.440) 5.293 7.540 ( -7.239 0.000 11.991) 14.006 7.629 ( -10.647 0.000 -0.098) 10.647 7.813 ( -1.391 0.000 5.008) 5.198 7.921 ( 4.338 0.000 5.294) 6.844 8.211 ( -2.306 0.000 0.151) 2.311 8.417 ( -0.967 0.000 5.170) 5.259 8.476 ( 5.569 0.000 -8.572) 10.222 8.528 ( -2.955 0.000 -11.650) 12.019 8.859 ( 6.332 0.000 -1.018) 6.414 9.236 ( -11.845 0.000 0.292) 11.849 9.425 ( -0.961 0.000 0.013) 0.961 9.508 ( -7.260 0.000 18.332) 19.717 9.579 ( -1.471 0.000 -0.548) 1.570 9.763 ( 2.584 0.000 -3.362) 4.240 10.340 ( -11.155 0.000 -4.579) 12.058 17.587 ( 0.374 0.000 -0.570) 0.682 17.634 ( 0.943 0.000 0.756) 1.209 17.671 ( -0.350 0.000 0.198) 0.402 17.703 ( -0.551 0.000 -0.263) 0.611 17.943 ( 0.284 0.000 -0.045) 0.288 17.990 ( 0.053 0.000 -0.117) 0.128 18.015 ( -0.043 0.000 0.072) 0.084 18.035 ( -0.088 0.000 -0.034) 0.095 30.358 ( -0.518 0.000 1.088) 1.205 30.367 ( 1.200 0.000 -0.981) 1.550 30.398 ( -0.201 0.000 -1.187) 1.203 30.448 ( 0.160 0.000 0.707) 0.724 49.132 ( 2.364 0.000 -5.331) 5.831 49.513 ( 1.643 0.000 -2.143) 2.700 49.815 ( 12.234 0.000 4.162) 12.923 50.806 ( -3.271 0.000 -3.274) 4.628 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 17.860 0.000 11.804) 21.408 2.626 ( 9.258 0.000 3.172) 9.786 2.637 ( -14.364 0.000 -9.812) 17.395 3.107 ( 0.210 0.000 1.296) 1.313 3.119 ( -5.098 0.000 -4.544) 6.830 3.171 ( 2.144 0.000 -0.661) 2.243 3.537 ( -2.441 0.000 -2.307) 3.359 3.658 ( 3.214 0.000 6.716) 7.445 3.839 ( -0.316 0.000 -1.367) 1.403 3.844 ( 2.490 0.000 -7.628) 8.024 3.968 ( 0.409 0.000 0.447) 0.606 3.979 ( -8.894 0.000 -4.406) 9.926 4.292 ( -0.146 0.000 -0.083) 0.167 4.616 ( 2.649 0.000 -4.344) 5.088 4.620 ( 3.048 0.000 0.289) 3.062 4.741 ( -7.313 0.000 -0.052) 7.313 4.828 ( 6.652 0.000 5.716) 8.770 4.954 ( -0.028 0.000 -1.263) 1.263 5.265 ( 3.507 0.000 0.354) 3.525 5.293 ( -0.691 0.000 0.516) 0.862 5.314 ( 9.097 0.000 2.977) 9.572 5.459 ( 9.799 0.000 2.839) 10.202 5.540 ( 19.387 0.000 8.289) 21.085 5.676 ( -9.193 0.000 1.710) 9.351 5.695 ( -0.018 0.000 1.500) 1.500 5.905 ( 2.468 0.000 1.291) 2.785 6.056 ( 7.044 0.000 -0.353) 7.053 6.262 ( -9.354 0.000 -0.251) 9.357 6.267 ( -0.796 0.000 -9.394) 9.428 6.364 ( -10.222 0.000 -4.085) 11.008 6.386 ( 1.309 0.000 0.658) 1.465 6.597 ( -5.334 0.000 -6.255) 8.220 6.668 ( -7.657 0.000 4.186) 8.726 6.751 ( 1.181 0.000 5.542) 5.666 6.760 ( -4.594 0.000 2.350) 5.160 6.880 ( -0.672 0.000 -9.671) 9.694 6.960 ( 0.132 0.000 -1.244) 1.250 7.082 ( 1.496 0.000 2.404) 2.832 7.216 ( 5.368 0.000 -0.909) 5.444 7.401 ( -6.219 0.000 -2.006) 6.535 7.417 ( 0.177 0.000 -4.484) 4.487 7.491 ( -4.495 0.000 8.379) 9.509 7.580 ( -0.476 0.000 2.790) 2.830 7.879 ( 3.439 0.000 3.149) 4.663 8.037 ( 3.445 0.000 2.466) 4.237 8.129 ( -3.979 0.000 -2.303) 4.598 8.369 ( -3.788 0.000 -1.744) 4.170 8.452 ( 0.192 0.000 -0.887) 0.907 8.510 ( 2.534 0.000 -3.748) 4.524 8.963 ( 3.675 0.000 -1.166) 3.855 9.071 ( -4.724 0.000 0.876) 4.805 9.409 ( -0.495 0.000 0.082) 0.502 9.506 ( -3.012 0.000 7.545) 8.124 9.563 ( -0.141 0.000 -0.175) 0.225 9.779 ( 1.011 0.000 -1.510) 1.817 10.147 ( -4.876 0.000 -1.993) 5.268 17.590 ( 0.162 0.000 -0.238) 0.288 17.659 ( 0.991 0.000 0.629) 1.174 17.667 ( -0.146 0.000 0.090) 0.171 17.686 ( -0.833 0.000 -0.456) 0.950 17.948 ( 0.182 0.000 0.045) 0.187 17.989 ( -0.053 0.000 -0.094) 0.108 18.015 ( -0.007 0.000 0.036) 0.037 18.033 ( -0.059 0.000 -0.024) 0.063 30.367 ( 0.387 0.000 0.773) 0.864 30.378 ( 0.605 0.000 -0.700) 0.925 30.385 ( -0.422 0.000 -0.243) 0.487 30.444 ( -0.543 0.000 -0.071) 0.548 49.131 ( 0.738 0.000 -2.165) 2.287 49.532 ( 1.019 0.000 -0.706) 1.239 50.027 ( 5.744 0.000 1.998) 6.082 50.725 ( -2.308 0.000 -1.511) 2.758 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 32.452 0.000) 32.452 0.844 ( 0.000 39.372 0.000) 39.372 1.137 ( 0.000 52.868 0.000) 52.868 2.974 ( 0.000 -9.744 0.000) 9.744 3.089 ( 0.000 -18.307 0.000) 18.307 3.197 ( 0.000 -6.130 0.000) 6.130 3.593 ( 0.000 -5.737 0.000) 5.737 3.692 ( 0.000 -2.855 0.000) 2.855 3.829 ( 0.000 1.730 0.000) 1.730 3.904 ( 0.000 2.155 0.000) 2.155 3.959 ( 0.000 -2.206 0.000) 2.206 4.091 ( 0.000 -4.705 0.000) 4.705 4.231 ( 0.000 2.559 0.000) 2.559 4.408 ( 0.000 9.177 0.000) 9.177 4.432 ( 0.000 3.534 0.000) 3.534 4.710 ( 0.000 -4.088 0.000) 4.088 4.817 ( 0.000 9.488 0.000) 9.488 4.925 ( 0.000 4.870 0.000) 4.870 4.970 ( 0.000 -3.101 0.000) 3.101 5.095 ( 0.000 -4.447 0.000) 4.447 5.165 ( 0.000 3.075 0.000) 3.075 5.266 ( 0.000 -7.077 0.000) 7.077 5.358 ( 0.000 -2.234 0.000) 2.234 5.657 ( 0.000 -3.882 0.000) 3.882 5.713 ( 0.000 -2.701 0.000) 2.701 5.812 ( 0.000 -3.842 0.000) 3.842 5.874 ( 0.000 -1.163 0.000) 1.163 6.253 ( 0.000 -10.082 0.000) 10.082 6.425 ( 0.000 -3.762 0.000) 3.762 6.465 ( 0.000 -7.094 0.000) 7.094 6.632 ( 0.000 2.851 0.000) 2.851 6.660 ( 0.000 -5.304 0.000) 5.304 6.769 ( 0.000 3.406 0.000) 3.406 6.947 ( 0.000 0.908 0.000) 0.908 6.980 ( 0.000 4.276 0.000) 4.276 7.105 ( 0.000 7.635 0.000) 7.635 7.106 ( 0.000 6.920 0.000) 6.920 7.206 ( 0.000 0.851 0.000) 0.851 7.344 ( 0.000 -0.475 0.000) 0.475 7.401 ( 0.000 7.584 0.000) 7.584 7.562 ( 0.000 -0.846 0.000) 0.846 7.615 ( 0.000 2.079 0.000) 2.079 7.852 ( 0.000 6.642 0.000) 6.642 8.040 ( 0.000 6.881 0.000) 6.881 8.221 ( 0.000 0.144 0.000) 0.144 8.283 ( 0.000 -0.006 0.000) 0.006 8.303 ( 0.000 -0.035 0.000) 0.035 8.347 ( 0.000 -2.547 0.000) 2.547 8.507 ( 0.000 -0.401 0.000) 0.401 8.523 ( 0.000 1.880 0.000) 1.880 9.164 ( 0.000 -4.299 0.000) 4.299 9.365 ( 0.000 -7.704 0.000) 7.704 9.621 ( 0.000 1.904 0.000) 1.904 9.649 ( 0.000 -2.204 0.000) 2.204 10.704 ( 0.000 0.799 0.000) 0.799 10.997 ( 0.000 -3.310 0.000) 3.310 17.556 ( 0.000 0.788 0.000) 0.788 17.594 ( 0.000 1.190 0.000) 1.190 17.691 ( 0.000 -1.416 0.000) 1.416 17.717 ( 0.000 -0.312 0.000) 0.312 17.943 ( 0.000 0.297 0.000) 0.297 17.975 ( 0.000 -0.155 0.000) 0.155 18.024 ( 0.000 0.017 0.000) 0.017 18.030 ( 0.000 -0.055 0.000) 0.055 30.318 ( 0.000 -0.014 0.000) 0.014 30.365 ( 0.000 1.266 0.000) 1.266 30.371 ( 0.000 -0.959 0.000) 0.959 30.441 ( 0.000 0.392 0.000) 0.392 49.192 ( 0.000 -0.050 0.000) 0.050 49.207 ( 0.000 -0.024 0.000) 0.024 49.607 ( 0.000 3.461 0.000) 3.461 50.047 ( 0.000 -3.036 0.000) 3.036 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 15.345 18.830 17.882) 30.163 0.909 ( 18.775 22.414 4.928) 29.651 1.913 ( 45.717 38.097 16.315) 61.706 2.941 ( -0.123 -9.163 -0.746) 9.194 3.038 ( -2.046 -15.108 -4.445) 15.881 3.191 ( -1.484 -6.034 1.232) 6.335 3.603 ( 0.843 -3.466 -0.419) 3.591 3.613 ( -4.107 -9.483 -2.836) 10.716 3.824 ( -4.928 -0.540 -8.254) 9.629 3.911 ( 3.035 0.137 -6.453) 7.132 3.978 ( 3.303 -1.890 -4.060) 5.565 4.124 ( 6.884 -0.487 1.661) 7.099 4.325 ( 7.044 1.210 4.936) 8.686 4.368 ( -3.967 2.503 -6.847) 8.299 4.455 ( 1.028 10.677 2.727) 11.067 4.585 ( -1.066 2.299 2.830) 3.799 4.895 ( -4.839 -0.774 1.802) 5.221 4.944 ( -1.039 -0.736 0.244) 1.296 5.039 ( -2.924 -0.343 3.009) 4.210 5.095 ( 1.436 2.251 -0.631) 2.744 5.164 ( 7.936 -0.145 4.559) 9.153 5.370 ( 3.491 -2.597 1.537) 4.615 5.460 ( 9.023 -1.557 0.031) 9.157 5.608 ( 0.278 -5.644 -3.912) 6.873 5.743 ( 0.670 -0.189 1.885) 2.009 5.770 ( 0.870 -7.334 0.025) 7.386 6.029 ( 4.663 -2.291 7.907) 9.462 6.210 ( -12.354 -3.012 -5.001) 13.663 6.331 ( -4.297 -4.402 -0.191) 6.155 6.410 ( -0.629 0.415 -3.641) 3.718 6.492 ( 4.025 -6.427 -3.212) 8.235 6.744 ( -1.171 -0.378 1.179) 1.704 6.821 ( -1.468 0.531 0.265) 1.584 6.922 ( 0.501 1.574 -1.111) 1.990 6.958 ( -2.717 12.803 -3.708) 13.604 7.002 ( -1.368 0.607 -3.463) 3.773 7.102 ( -5.449 0.929 -1.649) 5.768 7.190 ( 2.229 3.779 -6.215) 7.607 7.317 ( -1.269 1.993 2.752) 3.628 7.393 ( -1.797 3.787 5.318) 6.771 7.549 ( -5.576 -3.747 6.358) 9.249 7.613 ( 1.911 1.123 4.076) 4.639 7.847 ( -4.864 11.759 -14.172) 19.047 7.984 ( 1.791 9.406 8.281) 12.660 8.155 ( -3.489 -1.656 -7.989) 8.874 8.252 ( -0.276 -3.099 -2.679) 4.106 8.295 ( 1.575 -1.664 -2.614) 3.476 8.369 ( 3.792 2.495 0.602) 4.579 8.534 ( 1.338 2.251 0.961) 2.789 8.812 ( 6.720 -17.066 9.952) 20.867 9.120 ( 0.329 -4.618 -6.311) 7.827 9.367 ( -4.856 -7.959 12.159) 15.322 9.629 ( -1.613 2.208 5.783) 6.397 9.666 ( 2.184 -2.105 -1.612) 3.435 10.326 ( -25.322 17.143 -5.673) 31.101 10.801 ( -10.191 -3.358 -3.592) 11.315 17.581 ( 1.053 -0.276 0.841) 1.376 17.595 ( 0.218 0.948 -0.325) 1.025 17.685 ( -0.496 -0.582 0.254) 0.806 17.712 ( -0.226 -0.161 -0.105) 0.296 17.943 ( 0.105 0.251 -0.398) 0.482 17.979 ( 0.289 -0.202 0.023) 0.353 18.021 ( -0.166 0.102 -0.092) 0.216 18.033 ( 0.137 -0.090 0.129) 0.208 30.318 ( 0.282 -0.485 -0.895) 1.056 30.355 ( -0.460 -0.478 -0.423) 0.787 30.428 ( 1.718 1.221 1.188) 2.420 30.462 ( 2.358 2.725 0.748) 3.681 49.108 ( 0.028 1.930 -3.033) 3.595 49.292 ( 5.807 -0.941 0.639) 5.917 49.601 ( 0.909 4.761 -1.276) 5.012 50.488 ( 19.263 -23.559 2.087) 30.503 ======================= Grid point 11 (8/128) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 18.167 13.402 14.098) 26.616 1.536 ( 30.501 -1.254 15.665) 34.312 2.890 ( 27.597 9.945 8.638) 30.580 2.936 ( 0.609 -13.427 0.307) 13.444 3.025 ( 11.780 -0.080 -1.646) 11.895 3.173 ( 1.339 -3.508 -0.954) 3.874 3.474 ( -9.339 -18.245 -2.929) 20.705 3.502 ( -4.027 5.839 -6.361) 9.528 3.752 ( 0.974 -3.152 2.547) 4.168 3.937 ( 7.059 -0.454 -9.529) 11.867 4.053 ( 8.179 -0.021 -7.172) 10.878 4.173 ( -5.549 4.691 -5.556) 9.147 4.284 ( 2.665 4.599 0.447) 5.334 4.381 ( -1.211 14.122 -2.108) 14.329 4.608 ( 4.175 -1.927 1.368) 4.798 4.678 ( 9.377 -1.061 2.429) 9.745 4.784 ( -2.938 -1.758 1.174) 3.619 4.908 ( -2.065 -4.584 -1.551) 5.262 5.020 ( -3.086 3.005 5.961) 7.354 5.109 ( 2.382 4.890 1.453) 5.630 5.310 ( -0.399 2.364 5.099) 5.634 5.413 ( 4.047 1.352 -2.782) 5.094 5.543 ( -2.904 3.086 -4.817) 6.416 5.617 ( -0.833 -1.655 6.943) 7.186 5.714 ( 0.373 -2.367 -0.359) 2.423 5.802 ( -9.177 -3.680 4.172) 10.731 5.951 ( 4.139 -10.150 -1.742) 11.099 6.195 ( 1.534 -0.847 -7.840) 8.033 6.318 ( 3.966 6.491 8.341) 11.288 6.433 ( 4.774 -2.861 -2.993) 6.320 6.569 ( 2.590 -3.726 -2.235) 5.058 6.648 ( -1.097 -0.743 -7.724) 7.837 6.733 ( -4.938 5.003 -0.884) 7.085 6.859 ( -6.115 5.378 4.092) 9.114 6.938 ( -2.213 0.968 1.598) 2.896 6.967 ( 1.670 -1.812 -2.789) 3.721 7.016 ( -2.360 1.371 -1.771) 3.254 7.135 ( -1.181 1.591 -6.808) 7.091 7.342 ( 0.528 0.918 -0.336) 1.111 7.376 ( -4.251 -0.461 6.598) 7.863 7.519 ( -3.805 -5.804 9.321) 11.620 7.626 ( -0.972 2.900 -10.367) 10.809 7.724 ( -2.507 8.048 7.106) 11.025 7.926 ( -10.032 -2.458 -4.141) 11.128 8.083 ( -1.788 10.000 4.432) 11.083 8.221 ( -0.406 -0.551 -0.637) 0.934 8.324 ( 2.964 -5.306 -3.739) 7.136 8.450 ( 2.888 1.458 -0.575) 3.286 8.564 ( 1.788 0.112 -2.741) 3.275 8.835 ( -0.477 -4.601 -4.679) 6.580 9.113 ( -2.062 -12.737 2.093) 13.071 9.368 ( -3.889 -7.863 11.084) 14.135 9.637 ( -3.779 3.219 9.389) 10.621 9.695 ( 1.244 -1.156 -1.274) 2.123 9.887 ( -15.088 12.751 -4.278) 20.213 10.543 ( -12.553 -5.665 -4.823) 14.592 17.591 ( 0.277 0.611 -0.551) 0.868 17.608 ( 0.826 -0.151 0.685) 1.084 17.679 ( -0.375 0.006 0.331) 0.500 17.708 ( -0.214 -0.330 -0.125) 0.412 17.943 ( 0.151 0.294 -0.266) 0.425 17.984 ( 0.238 -0.292 -0.045) 0.379 18.018 ( -0.079 0.172 0.019) 0.190 18.035 ( 0.045 -0.086 0.066) 0.118 30.315 ( 0.131 -1.635 -1.008) 1.925 30.337 ( -0.926 -1.398 -0.002) 1.677 30.461 ( 1.229 3.733 0.170) 3.934 30.512 ( 1.814 5.208 0.579) 5.545 49.118 ( 3.123 0.588 -4.913) 5.851 49.398 ( 3.839 -5.241 -1.341) 6.634 49.679 ( 8.110 8.102 1.672) 11.585 50.694 ( 4.524 -15.119 -1.624) 15.865 ======================= Grid point 12 (9/128) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 18.247 6.957 13.114) 23.524 2.203 ( 25.077 -2.503 12.461) 28.114 2.808 ( -8.060 -12.222 -2.457) 14.845 3.009 ( 0.780 -9.095 -3.529) 9.787 3.138 ( 1.502 -7.893 -5.855) 9.942 3.282 ( -1.034 5.925 -6.553) 8.895 3.398 ( 0.508 -9.659 4.162) 10.530 3.638 ( 9.727 9.746 3.050) 14.103 3.741 ( -5.015 -5.444 -0.221) 7.405 3.893 ( -0.896 -2.528 -8.335) 8.756 4.139 ( 3.649 1.495 -9.813) 10.576 4.201 ( -1.054 6.590 -2.327) 7.067 4.313 ( -3.048 6.977 -3.640) 8.439 4.484 ( 24.805 15.908 8.673) 30.718 4.610 ( 1.770 -0.539 -1.370) 2.302 4.655 ( -2.762 -0.607 -4.787) 5.560 4.875 ( -1.322 0.493 1.954) 2.410 4.879 ( 2.162 -5.432 0.154) 5.849 5.133 ( 8.556 4.160 7.274) 11.976 5.168 ( 2.381 3.856 5.811) 7.370 5.285 ( -4.369 -0.975 2.453) 5.105 5.421 ( -0.025 4.245 -3.840) 5.724 5.460 ( -1.739 2.922 -2.097) 3.994 5.630 ( 2.366 -1.512 4.977) 5.715 5.731 ( -1.515 -0.511 5.364) 5.597 5.792 ( 2.017 -0.956 4.540) 5.059 5.990 ( 1.385 -3.737 -1.998) 4.458 6.198 ( 4.888 -6.327 -6.548) 10.334 6.316 ( -0.178 -3.253 -8.097) 8.728 6.463 ( -4.286 1.639 -6.834) 8.232 6.522 ( -7.174 4.597 3.137) 9.080 6.639 ( 2.506 0.522 -0.858) 2.700 6.770 ( -3.580 3.493 6.427) 8.144 6.796 ( 7.002 3.888 2.255) 8.321 6.845 ( -5.868 2.545 -2.119) 6.738 6.979 ( -0.805 -3.559 -1.463) 3.932 7.031 ( -0.680 -1.681 6.621) 6.865 7.090 ( 3.072 3.983 -6.294) 8.057 7.268 ( -7.856 1.527 -0.168) 8.005 7.391 ( 2.487 -5.670 0.325) 6.200 7.441 ( -10.459 -4.951 -0.306) 11.576 7.534 ( -1.225 0.542 3.264) 3.529 7.677 ( -7.624 4.006 -7.369) 11.335 7.772 ( 0.652 4.102 7.643) 8.698 8.083 ( -2.128 7.301 6.093) 9.745 8.215 ( -0.453 0.985 -1.499) 1.850 8.339 ( 2.093 -9.607 -5.928) 11.482 8.465 ( -1.503 1.835 2.263) 3.279 8.517 ( -0.852 -1.312 -8.733) 8.872 8.867 ( 5.611 -0.051 -2.724) 6.237 9.039 ( -6.147 -12.541 1.805) 14.083 9.374 ( -3.405 -8.350 8.404) 12.327 9.572 ( -7.735 7.822 1.879) 11.160 9.655 ( -3.205 3.701 5.371) 7.268 9.755 ( 1.162 -0.369 -2.389) 2.682 10.270 ( -10.844 -6.021 -4.331) 13.138 17.592 ( 0.270 0.462 -0.546) 0.765 17.630 ( 0.848 -0.301 0.662) 1.117 17.675 ( -0.241 0.295 0.244) 0.452 17.700 ( -0.443 -0.232 -0.227) 0.549 17.945 ( 0.239 0.249 -0.069) 0.352 17.986 ( 0.014 -0.376 -0.139) 0.401 18.018 ( -0.002 0.240 0.067) 0.249 18.035 ( -0.028 0.011 0.021) 0.037 30.308 ( 0.011 -2.242 -0.549) 2.308 30.329 ( -0.189 -1.935 0.272) 1.963 30.473 ( 0.287 5.151 -0.600) 5.194 30.538 ( 0.478 5.476 0.165) 5.499 49.135 ( 2.315 0.444 -4.941) 5.474 49.436 ( 2.164 -5.702 -1.789) 6.355 49.902 ( 10.819 6.856 3.346) 13.238 50.709 ( -0.622 -8.413 -1.959) 8.661 ======================= Grid point 13 (10/128) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 15.902 2.048 11.087) 19.493 2.563 ( -8.595 -3.909 -7.208) 11.879 2.651 ( 7.438 0.269 4.662) 8.783 2.989 ( 0.309 -8.560 0.012) 8.565 3.090 ( -2.196 -2.233 -3.487) 4.687 3.303 ( 3.838 10.645 -2.254) 11.538 3.446 ( 0.684 -12.270 2.237) 12.491 3.620 ( -0.809 1.497 -0.673) 1.830 3.749 ( 0.204 -3.792 0.433) 3.822 3.864 ( -0.134 -0.783 -1.678) 1.857 4.001 ( -6.304 6.482 -7.020) 11.447 4.123 ( -2.627 4.711 -1.577) 5.620 4.269 ( 0.701 0.602 2.941) 3.083 4.488 ( -3.536 -5.923 -7.661) 10.309 4.627 ( 1.225 -0.020 -0.375) 1.281 4.827 ( -0.367 -0.277 -1.055) 1.151 4.968 ( 5.415 5.438 -0.892) 7.726 5.014 ( 0.335 11.873 6.514) 13.547 5.204 ( -0.235 -5.590 2.140) 5.990 5.296 ( 3.119 1.308 -0.016) 3.382 5.362 ( 5.426 4.196 3.341) 7.629 5.490 ( 9.273 -0.554 4.587) 10.360 5.525 ( 11.634 4.024 2.394) 12.540 5.688 ( 0.433 -0.858 -0.201) 0.982 5.733 ( -1.910 3.415 4.667) 6.090 5.834 ( 0.024 -4.867 0.413) 4.885 6.075 ( 8.890 0.991 0.020) 8.945 6.226 ( -1.172 -6.072 -5.907) 8.552 6.291 ( 1.928 -0.439 -2.379) 3.093 6.314 ( -9.625 1.401 -2.438) 10.028 6.380 ( 0.481 0.461 1.546) 1.684 6.588 ( -7.870 1.102 -6.063) 9.995 6.693 ( -13.225 3.416 1.812) 13.778 6.748 ( -2.524 1.343 1.709) 3.331 6.807 ( -0.404 -1.197 -2.959) 3.217 6.972 ( 0.938 9.388 4.812) 10.591 7.058 ( 0.825 -1.218 0.593) 1.586 7.112 ( -1.669 2.411 -1.954) 3.524 7.141 ( 3.692 0.901 0.082) 3.801 7.285 ( -5.152 -5.869 0.206) 7.812 7.467 ( 3.093 0.815 -2.786) 4.241 7.526 ( -3.804 0.481 -0.156) 3.838 7.561 ( 0.268 0.206 1.569) 1.605 7.892 ( 6.005 3.025 5.729) 8.834 8.065 ( -4.627 1.238 1.346) 4.976 8.173 ( -0.376 2.605 -2.549) 3.664 8.330 ( 0.498 -5.060 -2.288) 5.576 8.408 ( -2.436 -5.394 -1.577) 6.125 8.488 ( 0.717 2.519 -1.480) 3.008 8.937 ( -0.142 -6.160 0.730) 6.204 8.954 ( -0.089 -6.224 -1.503) 6.404 9.365 ( -2.024 -8.900 4.040) 9.981 9.486 ( -1.777 5.959 -0.095) 6.220 9.649 ( -1.207 3.765 3.029) 4.980 9.764 ( 0.711 -1.230 -1.067) 1.777 10.089 ( -4.443 -5.168 -1.773) 7.042 17.593 ( 0.119 0.353 -0.221) 0.433 17.648 ( 0.470 -0.684 0.365) 0.907 17.675 ( 0.207 0.467 0.210) 0.552 17.687 ( -0.623 0.106 -0.324) 0.710 17.949 ( 0.144 0.142 0.019) 0.203 17.984 ( -0.062 -0.413 -0.094) 0.428 18.018 ( 0.014 0.294 0.032) 0.297 18.035 ( -0.026 0.120 0.005) 0.123 30.312 ( 0.503 -2.625 -0.143) 2.676 30.326 ( -0.387 -2.002 0.138) 2.044 30.472 ( 0.039 5.397 -0.230) 5.402 30.538 ( -0.198 5.513 -0.149) 5.518 49.137 ( 0.748 0.584 -2.036) 2.247 49.461 ( 1.045 -5.781 -0.648) 5.910 50.092 ( 5.240 5.347 1.715) 7.680 50.670 ( -1.399 -4.991 -1.055) 5.289 ======================= Grid point 18 (11/128) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 31.085 0.000) 31.085 1.641 ( 0.000 35.768 0.000) 35.768 2.186 ( 0.000 43.751 0.000) 43.751 2.581 ( 0.000 -22.373 0.000) 22.373 2.778 ( 0.000 -15.114 0.000) 15.114 3.061 ( 0.000 -5.441 0.000) 5.441 3.323 ( 0.000 -14.019 0.000) 14.019 3.571 ( 0.000 -9.605 0.000) 9.605 3.893 ( 0.000 1.670 0.000) 1.670 3.942 ( 0.000 1.423 0.000) 1.423 3.991 ( 0.000 2.962 0.000) 2.962 4.026 ( 0.000 -1.801 0.000) 1.801 4.295 ( 0.000 2.637 0.000) 2.637 4.438 ( 0.000 -11.105 0.000) 11.105 4.511 ( 0.000 4.229 0.000) 4.229 4.634 ( 0.000 1.780 0.000) 1.780 4.838 ( 0.000 -2.576 0.000) 2.576 4.925 ( 0.000 -6.603 0.000) 6.603 5.067 ( 0.000 7.038 0.000) 7.038 5.091 ( 0.000 4.979 0.000) 4.979 5.120 ( 0.000 -2.146 0.000) 2.146 5.273 ( 0.000 7.302 0.000) 7.302 5.318 ( 0.000 -3.512 0.000) 3.512 5.614 ( 0.000 -3.389 0.000) 3.389 5.614 ( 0.000 -3.264 0.000) 3.264 5.713 ( 0.000 -3.734 0.000) 3.734 5.860 ( 0.000 0.128 0.000) 0.128 6.050 ( 0.000 -9.278 0.000) 9.278 6.311 ( 0.000 -4.981 0.000) 4.981 6.393 ( 0.000 -2.481 0.000) 2.481 6.550 ( 0.000 -2.975 0.000) 2.975 6.617 ( 0.000 -3.387 0.000) 3.387 6.858 ( 0.000 5.374 0.000) 5.374 6.963 ( 0.000 -1.775 0.000) 1.775 6.970 ( 0.000 1.768 0.000) 1.768 7.132 ( 0.000 -2.975 0.000) 2.975 7.302 ( 0.000 7.712 0.000) 7.712 7.349 ( 0.000 1.012 0.000) 1.012 7.434 ( 0.000 12.535 0.000) 12.535 7.557 ( 0.000 1.418 0.000) 1.418 7.564 ( 0.000 7.427 0.000) 7.427 7.670 ( 0.000 2.015 0.000) 2.015 8.021 ( 0.000 8.572 0.000) 8.572 8.149 ( 0.000 2.522 0.000) 2.522 8.209 ( 0.000 -1.845 0.000) 1.845 8.254 ( 0.000 -1.321 0.000) 1.321 8.291 ( 0.000 -1.819 0.000) 1.819 8.312 ( 0.000 -1.197 0.000) 1.197 8.513 ( 0.000 1.430 0.000) 1.430 8.565 ( 0.000 1.851 0.000) 1.851 9.055 ( 0.000 -4.819 0.000) 4.819 9.185 ( 0.000 -8.790 0.000) 8.790 9.612 ( 0.000 -0.777 0.000) 0.777 9.637 ( 0.000 -0.316 0.000) 0.316 10.736 ( 0.000 2.341 0.000) 2.341 10.906 ( 0.000 -4.925 0.000) 4.925 17.580 ( 0.000 1.483 0.000) 1.483 17.628 ( 0.000 1.846 0.000) 1.846 17.656 ( 0.000 -1.842 0.000) 1.842 17.701 ( 0.000 -1.242 0.000) 1.242 17.952 ( 0.000 0.470 0.000) 0.470 17.970 ( 0.000 -0.326 0.000) 0.326 18.025 ( 0.000 0.048 0.000) 0.048 18.028 ( 0.000 -0.087 0.000) 0.087 30.321 ( 0.000 0.317 0.000) 0.317 30.350 ( 0.000 -0.977 0.000) 0.977 30.397 ( 0.000 1.616 0.000) 1.616 30.443 ( 0.000 -0.273 0.000) 0.273 49.194 ( 0.000 0.184 0.000) 0.184 49.205 ( 0.000 -0.180 0.000) 0.180 49.706 ( 0.000 5.634 0.000) 5.634 49.958 ( 0.000 -5.291 0.000) 5.291 ======================= Grid point 19 (12/128) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -2.332 29.403 14.192) 32.732 1.483 ( 5.190 31.364 -6.104) 32.372 2.535 ( 1.591 -18.223 2.363) 18.445 2.686 ( 13.187 6.662 5.053) 15.615 2.775 ( 12.101 2.065 2.662) 12.561 3.062 ( 1.552 -4.378 -2.133) 5.111 3.254 ( -5.568 -11.340 4.312) 13.349 3.595 ( 1.720 -3.010 -4.505) 5.684 3.808 ( -3.501 -0.859 -8.019) 8.792 3.941 ( 3.477 -1.402 -11.124) 11.739 3.986 ( 1.661 1.931 -2.993) 3.930 4.088 ( 8.443 -2.064 4.725) 9.893 4.385 ( 7.241 4.178 4.510) 9.499 4.449 ( -3.418 5.718 -3.908) 7.723 4.553 ( 1.864 0.702 3.024) 3.621 4.684 ( 2.378 3.709 4.712) 6.451 4.823 ( -7.480 -5.044 0.601) 9.042 4.876 ( 2.348 -7.470 -0.104) 7.832 5.046 ( 2.614 0.693 -2.751) 3.858 5.165 ( 5.659 2.127 5.122) 7.923 5.229 ( 2.516 4.697 0.296) 5.337 5.298 ( 6.844 0.608 1.008) 6.944 5.397 ( 5.066 -3.757 -2.184) 6.674 5.579 ( 0.589 -6.869 -1.032) 6.971 5.607 ( 0.113 3.065 -1.433) 3.386 5.718 ( 1.720 -2.453 1.853) 3.523 5.989 ( 1.712 -2.563 9.207) 9.709 6.060 ( -1.991 -10.073 3.007) 10.699 6.249 ( -2.387 -0.313 -3.268) 4.059 6.392 ( 2.319 -2.798 -3.626) 5.134 6.486 ( -2.396 3.369 0.886) 4.228 6.674 ( 1.263 -4.577 3.475) 5.884 6.833 ( -1.553 1.651 -3.252) 3.964 6.947 ( 0.909 -2.082 -4.882) 5.385 6.970 ( -1.726 1.209 3.018) 3.681 7.066 ( -5.133 -1.847 -4.550) 7.104 7.248 ( -5.953 8.523 1.072) 10.451 7.305 ( -6.657 4.987 1.236) 8.410 7.402 ( 1.608 5.776 -3.623) 7.005 7.517 ( -4.789 5.094 0.598) 7.017 7.543 ( -2.990 5.096 -1.997) 6.237 7.655 ( 0.794 2.319 4.462) 5.091 8.002 ( -3.464 1.895 -10.456) 11.176 8.021 ( -3.636 -4.995 -5.559) 8.312 8.163 ( -1.292 2.353 -11.782) 12.084 8.238 ( 0.678 0.987 2.329) 2.619 8.285 ( -0.379 1.625 3.699) 4.058 8.389 ( 1.418 -1.473 7.695) 7.962 8.545 ( 3.655 -0.106 -2.413) 4.381 8.628 ( -0.569 -2.277 9.531) 9.816 9.042 ( 0.884 -2.598 -5.374) 6.034 9.188 ( -2.936 -8.356 8.119) 12.015 9.628 ( 1.091 -0.820 1.078) 1.739 9.651 ( -1.402 -0.226 6.858) 7.003 10.537 ( -17.491 5.777 -5.444) 19.208 10.719 ( -12.951 -4.104 -4.224) 14.227 17.590 ( 0.655 1.016 0.423) 1.280 17.620 ( -0.277 1.094 -0.673) 1.314 17.665 ( 0.354 -0.911 0.704) 1.205 17.699 ( -0.109 -1.058 -0.074) 1.066 17.951 ( 0.066 0.505 -0.198) 0.547 17.973 ( 0.209 -0.392 -0.047) 0.446 18.023 ( -0.074 0.139 -0.024) 0.160 18.030 ( 0.093 -0.151 0.100) 0.203 30.314 ( -0.267 0.147 -1.248) 1.285 30.341 ( -0.727 -0.856 -1.150) 1.607 30.460 ( 3.675 1.592 1.944) 4.452 30.494 ( 4.551 0.463 1.794) 4.914 49.153 ( -0.450 2.362 -2.323) 3.344 49.256 ( 3.244 -2.209 -0.950) 4.038 49.734 ( 3.566 7.475 0.161) 8.284 50.130 ( 12.603 -12.406 2.245) 17.827 ======================= Grid point 20 (13/128) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 11.844 16.066 17.481) 26.533 1.715 ( 15.980 18.046 3.379) 24.340 2.527 ( -2.328 -19.939 4.373) 20.545 2.694 ( 3.350 -21.163 -8.247) 22.959 3.009 ( -0.140 -3.822 0.278) 3.835 3.134 ( -1.611 -9.581 4.778) 10.827 3.426 ( 11.626 11.921 2.380) 16.821 3.612 ( 6.836 2.596 -3.111) 7.947 3.742 ( 4.145 5.625 -5.236) 8.731 3.922 ( 2.591 -1.629 -10.451) 10.890 4.050 ( 7.529 1.674 -2.154) 8.007 4.297 ( 2.498 2.391 1.867) 3.930 4.397 ( 7.502 5.266 -3.164) 9.696 4.546 ( 0.752 4.265 5.037) 6.643 4.569 ( 3.373 1.452 1.732) 4.060 4.716 ( -3.394 -3.679 0.895) 5.085 4.777 ( 5.947 6.170 0.017) 8.569 4.819 ( -2.962 0.274 -6.051) 6.743 5.125 ( 2.348 2.436 6.035) 6.919 5.220 ( 1.729 5.864 -7.091) 9.362 5.337 ( 0.673 -0.129 4.721) 4.770 5.465 ( 2.793 -3.576 1.603) 4.813 5.477 ( 9.481 -0.688 2.855) 9.925 5.583 ( -0.094 -6.222 1.293) 6.355 5.677 ( 3.723 1.817 3.038) 5.137 5.771 ( 1.518 -4.041 1.693) 4.637 5.835 ( -10.811 3.616 1.691) 11.524 6.102 ( 1.691 -6.990 -3.083) 7.825 6.321 ( 9.065 -7.070 -0.120) 11.497 6.390 ( -0.393 -1.343 -4.256) 4.480 6.528 ( 3.922 4.212 4.682) 7.419 6.653 ( -3.448 1.353 -5.706) 6.803 6.774 ( -2.055 -1.348 3.786) 4.514 6.908 ( -5.903 -3.814 5.118) 8.694 6.942 ( -1.535 0.646 -5.324) 5.579 6.954 ( -0.698 1.228 0.035) 1.413 7.078 ( -9.892 3.865 -1.937) 10.796 7.179 ( -8.423 -0.031 6.499) 10.639 7.346 ( -3.126 4.342 -5.105) 7.395 7.466 ( -2.098 7.412 -1.881) 7.929 7.506 ( -0.428 2.764 2.445) 3.715 7.677 ( -1.015 1.219 -3.663) 3.992 7.819 ( -5.007 -2.812 -2.865) 6.418 7.930 ( -2.512 4.112 -4.000) 6.263 8.104 ( 2.880 -6.054 -10.200) 12.206 8.259 ( 1.671 -0.924 -3.972) 4.407 8.281 ( -5.337 5.906 7.592) 11.000 8.435 ( 0.446 -2.110 1.669) 2.727 8.575 ( -1.800 0.076 2.319) 2.937 8.680 ( 2.541 -6.859 1.986) 7.580 8.997 ( -2.541 -0.397 -2.887) 3.866 9.193 ( -2.683 -8.191 7.053) 11.137 9.660 ( -0.380 -0.229 4.872) 4.892 9.681 ( -1.190 -0.113 7.350) 7.447 10.113 ( -18.215 8.772 -5.694) 21.003 10.409 ( -14.398 -6.550 -5.137) 16.631 17.605 ( 0.383 0.598 0.040) 0.711 17.613 ( 0.200 0.486 -0.187) 0.558 17.675 ( 0.166 -0.188 0.574) 0.626 17.696 ( -0.102 -0.742 -0.107) 0.757 17.952 ( 0.125 0.540 -0.214) 0.594 17.976 ( 0.162 -0.501 -0.127) 0.542 18.023 ( -0.000 0.248 0.056) 0.254 18.032 ( 0.078 -0.176 0.105) 0.220 30.295 ( -0.611 -0.299 -1.161) 1.346 30.315 ( -0.994 -0.885 -0.545) 1.438 30.539 ( 3.071 3.385 0.765) 4.634 30.591 ( 3.313 1.890 0.847) 3.907 49.147 ( 1.991 2.259 -4.020) 5.023 49.297 ( 2.207 -4.431 -2.562) 5.574 49.865 ( 8.717 9.605 2.041) 13.130 50.365 ( 9.017 -14.731 1.273) 17.319 ======================= Grid point 21 (14/128) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 11.841 10.810 11.288) 19.608 2.197 ( 23.166 2.850 12.330) 26.397 2.528 ( -0.855 -13.101 2.718) 13.407 2.736 ( 5.938 -15.626 -5.240) 17.519 3.010 ( 1.399 -3.118 -1.588) 3.769 3.151 ( 0.343 -8.852 3.071) 9.376 3.492 ( 3.483 9.670 -2.990) 10.705 3.662 ( -1.702 -1.707 0.828) 2.549 3.825 ( 3.615 2.312 -3.398) 5.474 3.853 ( -0.934 0.879 -10.322) 10.401 4.139 ( -0.652 0.984 0.146) 1.190 4.272 ( -2.485 3.500 -4.805) 6.443 4.439 ( -6.236 -3.337 -5.084) 8.710 4.563 ( 2.089 -5.117 -4.880) 7.373 4.649 ( -2.899 7.065 -8.004) 11.062 4.787 ( 11.424 2.374 5.912) 13.081 4.806 ( 2.764 2.194 2.436) 4.288 4.974 ( 15.841 10.154 4.652) 19.383 5.180 ( -1.088 -1.434 -0.458) 1.857 5.262 ( 3.214 7.089 6.265) 9.992 5.321 ( -1.459 4.980 5.891) 7.851 5.458 ( 0.523 0.109 0.254) 0.591 5.550 ( -1.838 3.242 2.177) 4.317 5.666 ( 4.214 2.052 0.557) 4.721 5.752 ( 0.418 -0.007 3.992) 4.014 5.777 ( 1.259 4.733 0.908) 4.981 5.859 ( 8.513 -7.570 0.644) 11.410 6.085 ( 0.098 -4.779 -7.115) 8.572 6.258 ( -1.235 -1.309 -5.778) 6.052 6.483 ( -0.975 -0.871 -6.017) 6.158 6.578 ( -3.424 -2.375 2.524) 4.872 6.644 ( 5.081 -0.512 0.485) 5.130 6.784 ( -2.310 -0.403 5.397) 5.884 6.830 ( -4.257 1.033 2.413) 5.001 6.850 ( -5.065 -1.242 -0.261) 5.222 6.953 ( -0.175 -0.412 7.759) 7.772 6.984 ( 1.428 -2.095 3.870) 4.626 7.097 ( -3.248 -8.436 3.582) 9.723 7.243 ( -3.749 6.049 -5.272) 8.857 7.412 ( -0.332 8.841 -4.413) 9.886 7.423 ( -9.433 -0.169 -1.508) 9.554 7.615 ( 0.021 4.772 -1.527) 5.010 7.735 ( -3.187 1.114 -6.846) 7.633 7.914 ( 1.725 5.855 2.725) 6.684 8.080 ( 0.243 -11.118 -6.142) 12.704 8.195 ( -6.907 4.919 4.839) 9.763 8.255 ( 1.924 0.732 -5.746) 6.104 8.465 ( 1.864 -2.984 0.934) 3.640 8.512 ( -5.276 1.172 0.792) 5.462 8.740 ( 1.595 -10.794 -0.075) 10.911 8.913 ( -3.169 1.367 -1.691) 3.843 9.184 ( -2.904 -9.220 4.825) 10.804 9.678 ( -2.907 1.933 7.139) 7.947 9.707 ( -0.503 0.560 2.918) 3.014 9.804 ( -9.009 6.191 -2.854) 11.297 10.119 ( -10.760 -7.738 -4.065) 13.863 17.605 ( 0.071 0.644 -0.414) 0.769 17.624 ( 0.482 -0.266 0.370) 0.663 17.680 ( 0.056 0.214 0.288) 0.363 17.693 ( -0.141 -0.381 -0.082) 0.415 17.953 ( 0.127 0.460 -0.131) 0.495 17.976 ( -0.020 -0.553 -0.181) 0.582 18.024 ( 0.073 0.334 0.090) 0.353 18.035 ( 0.072 -0.110 0.100) 0.165 30.279 ( -0.207 -0.517 -0.618) 0.832 30.299 ( -0.379 -1.075 -0.024) 1.140 30.580 ( 1.011 4.511 -0.339) 4.635 30.631 ( 0.793 2.831 -0.119) 2.942 49.157 ( 1.985 1.833 -4.077) 4.891 49.315 ( 1.741 -5.440 -2.295) 6.155 50.069 ( 9.183 8.751 2.657) 12.960 50.495 ( 3.855 -11.032 0.298) 11.690 ======================= Grid point 22 (15/128) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 10.416 3.838 8.271) 13.843 2.479 ( -5.093 -4.304 -2.789) 7.228 2.659 ( 12.603 0.965 7.129) 14.512 2.821 ( 3.505 -6.599 -0.672) 7.502 3.045 ( 2.545 -1.728 -1.570) 3.454 3.179 ( 0.761 -10.458 1.339) 10.570 3.550 ( 1.980 8.669 -3.113) 9.421 3.624 ( 0.959 3.668 2.749) 4.683 3.750 ( -4.362 -1.095 -5.002) 6.727 3.840 ( -1.366 1.868 -1.294) 2.651 4.056 ( -2.720 -6.291 2.524) 7.303 4.188 ( -4.064 7.547 -7.997) 11.723 4.266 ( -1.819 -4.912 -0.806) 5.300 4.498 ( -5.122 8.353 -3.195) 10.306 4.642 ( 7.826 -1.588 -4.565) 9.198 4.795 ( -7.448 1.663 0.276) 7.636 4.912 ( 3.136 -9.073 1.243) 9.680 5.159 ( 5.380 0.206 2.415) 5.901 5.253 ( -1.048 7.639 5.102) 9.246 5.287 ( -0.408 -1.187 -2.270) 2.594 5.457 ( 4.676 1.629 2.302) 5.461 5.528 ( 0.301 1.560 4.317) 4.600 5.620 ( 5.518 4.924 4.988) 8.921 5.674 ( 0.533 0.301 -5.365) 5.400 5.791 ( 0.653 4.537 -0.538) 4.615 5.810 ( 1.811 2.616 3.884) 5.021 6.023 ( 2.733 -10.170 -2.769) 10.889 6.095 ( 9.713 0.418 0.614) 9.741 6.296 ( 6.163 1.076 -3.605) 7.220 6.369 ( -10.086 1.021 -1.406) 10.234 6.462 ( 1.791 8.039 -0.197) 8.238 6.640 ( -4.187 3.013 2.919) 5.927 6.739 ( -8.661 -1.167 3.183) 9.301 6.786 ( -0.490 2.500 2.165) 3.343 6.807 ( -0.529 1.120 -3.137) 3.373 6.992 ( -7.327 -3.277 -3.838) 8.897 7.023 ( 0.662 -1.459 3.317) 3.683 7.099 ( 1.864 -2.592 4.799) 5.764 7.169 ( 0.392 -1.197 0.847) 1.518 7.279 ( -1.054 -2.882 -3.128) 4.382 7.432 ( 3.920 5.872 -0.766) 7.102 7.601 ( -4.315 4.611 -0.090) 6.315 7.621 ( 0.391 3.777 -3.428) 5.115 8.000 ( 3.420 6.636 2.053) 7.742 8.016 ( -0.445 -15.281 -4.491) 15.933 8.104 ( -5.877 2.920 3.177) 7.291 8.279 ( 5.494 0.987 -6.120) 8.283 8.379 ( -8.416 0.337 4.282) 9.449 8.538 ( 4.214 0.561 -1.894) 4.654 8.708 ( -3.747 -10.770 0.950) 11.443 8.887 ( 0.905 -1.328 -1.376) 2.116 9.162 ( -1.675 -10.010 2.204) 10.386 9.628 ( -2.706 7.139 0.134) 7.635 9.705 ( -1.078 1.728 2.773) 3.440 9.740 ( -0.056 -0.803 0.116) 0.813 9.952 ( -3.828 -7.377 -1.458) 8.438 17.604 ( 0.041 0.604 -0.157) 0.625 17.633 ( 0.196 -0.735 0.162) 0.777 17.684 ( 0.165 0.310 0.129) 0.374 17.689 ( -0.228 0.049 -0.089) 0.250 17.954 ( 0.061 0.320 -0.035) 0.327 17.974 ( -0.058 -0.539 -0.096) 0.551 18.026 ( 0.050 0.392 0.043) 0.398 18.036 ( 0.030 -0.025 0.044) 0.059 30.277 ( 0.139 -0.667 -0.151) 0.698 30.296 ( -0.109 -1.081 0.071) 1.089 30.585 ( 0.060 4.784 -0.280) 4.793 30.633 ( -0.107 3.029 -0.247) 3.041 49.161 ( 0.731 1.897 -1.700) 2.650 49.330 ( 0.846 -6.017 -0.847) 6.135 50.224 ( 4.163 6.841 1.273) 8.108 50.534 ( 0.579 -7.368 -0.116) 7.392 ======================= Grid point 27 (16/128) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.000 -28.486 0.000) 28.486 1.991 ( 0.000 28.486 0.000) 28.486 2.320 ( 0.000 -27.648 0.000) 27.648 2.320 ( 0.000 27.648 0.000) 27.648 2.951 ( 0.000 -12.791 0.000) 12.791 2.951 ( 0.000 12.791 0.000) 12.791 3.239 ( 0.000 -14.996 0.000) 14.996 3.239 ( 0.000 14.996 0.000) 14.996 3.940 ( 0.000 -3.664 0.000) 3.664 3.940 ( 0.000 3.664 0.000) 3.664 3.991 ( 0.000 -1.194 0.000) 1.194 3.991 ( 0.000 1.194 0.000) 1.194 4.303 ( 0.000 -0.485 0.000) 0.485 4.303 ( 0.000 0.485 0.000) 0.485 4.624 ( 0.000 -4.804 0.000) 4.804 4.624 ( 0.000 4.804 0.000) 4.804 4.819 ( 0.000 -1.428 0.000) 1.428 4.819 ( 0.000 1.428 0.000) 1.428 5.131 ( 0.000 -1.058 0.000) 1.058 5.131 ( 0.000 1.058 0.000) 1.058 5.206 ( 0.000 -5.238 0.000) 5.238 5.206 ( 0.000 5.238 0.000) 5.238 5.456 ( 0.000 -9.232 0.000) 9.232 5.456 ( 0.000 9.232 0.000) 9.232 5.646 ( 0.000 -3.955 0.000) 3.955 5.646 ( 0.000 3.955 0.000) 3.955 5.898 ( 0.000 -4.145 0.000) 4.145 5.898 ( 0.000 4.145 0.000) 4.145 6.303 ( 0.000 -3.654 0.000) 3.654 6.303 ( 0.000 3.654 0.000) 3.654 6.554 ( 0.000 -2.095 0.000) 2.095 6.554 ( 0.000 2.095 0.000) 2.095 6.931 ( 0.000 -1.680 0.000) 1.680 6.931 ( 0.000 1.680 0.000) 1.680 7.045 ( 0.000 -4.804 0.000) 4.804 7.045 ( 0.000 4.804 0.000) 4.804 7.368 ( 0.000 -0.127 0.000) 0.127 7.368 ( 0.000 0.127 0.000) 0.127 7.589 ( 0.000 -1.539 0.000) 1.539 7.589 ( 0.000 1.539 0.000) 1.539 7.673 ( 0.000 -2.112 0.000) 2.112 7.673 ( 0.000 2.112 0.000) 2.112 8.158 ( 0.000 -1.244 0.000) 1.244 8.158 ( 0.000 1.244 0.000) 1.244 8.201 ( 0.000 -4.419 0.000) 4.419 8.201 ( 0.000 4.419 0.000) 4.419 8.274 ( 0.000 -0.270 0.000) 0.270 8.274 ( 0.000 0.270 0.000) 0.270 8.565 ( 0.000 -2.337 0.000) 2.337 8.565 ( 0.000 2.337 0.000) 2.337 9.035 ( 0.000 -3.988 0.000) 3.988 9.035 ( 0.000 3.988 0.000) 3.988 9.618 ( 0.000 -1.054 0.000) 1.054 9.618 ( 0.000 1.054 0.000) 1.054 10.806 ( 0.000 -4.258 0.000) 4.258 10.806 ( 0.000 4.258 0.000) 4.258 17.616 ( 0.000 -1.867 0.000) 1.867 17.616 ( 0.000 1.867 0.000) 1.867 17.667 ( 0.000 -1.833 0.000) 1.833 17.667 ( 0.000 1.833 0.000) 1.833 17.962 ( 0.000 -0.465 0.000) 0.465 17.962 ( 0.000 0.465 0.000) 0.465 18.026 ( 0.000 -0.082 0.000) 0.082 18.026 ( 0.000 0.082 0.000) 0.082 30.332 ( 0.000 -0.688 0.000) 0.688 30.332 ( 0.000 0.688 0.000) 0.688 30.428 ( 0.000 -1.161 0.000) 1.161 30.428 ( 0.000 1.161 0.000) 1.161 49.199 ( 0.000 -0.310 0.000) 0.310 49.199 ( 0.000 0.310 0.000) 0.310 49.834 ( 0.000 -6.231 0.000) 6.231 49.834 ( 0.000 6.231 0.000) 6.231 ======================= Grid point 29 (17/128) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -3.454 -19.571 7.740) 21.327 1.996 ( -3.454 19.571 7.740) 21.327 2.201 ( -2.016 -24.617 -7.349) 25.770 2.201 ( -2.016 24.617 -7.349) 25.770 2.990 ( -0.580 -3.195 3.976) 5.133 2.990 ( -0.580 3.195 3.976) 5.133 3.436 ( 13.188 -15.544 2.098) 20.492 3.436 ( 13.188 15.544 2.098) 20.492 3.833 ( 2.302 -4.921 -7.781) 9.490 3.833 ( 2.302 4.921 -7.781) 9.490 4.041 ( 2.119 -2.783 -1.953) 4.006 4.041 ( 2.119 2.783 -1.953) 4.006 4.504 ( 12.434 -6.303 6.521) 15.390 4.504 ( 12.434 6.303 6.521) 15.390 4.598 ( -0.168 -8.194 -1.031) 8.260 4.598 ( -0.168 8.194 -1.031) 8.260 4.759 ( -5.362 -1.007 2.573) 6.031 4.759 ( -5.362 1.007 2.573) 6.031 5.143 ( 2.091 -5.843 -8.429) 10.468 5.143 ( 2.091 5.843 -8.429) 10.468 5.278 ( 6.458 -2.186 3.645) 7.731 5.278 ( 6.458 2.186 3.645) 7.731 5.449 ( -0.414 -7.242 -0.550) 7.275 5.449 ( -0.414 7.242 -0.550) 7.275 5.680 ( 2.254 -1.651 2.259) 3.593 5.680 ( 2.254 1.651 2.259) 3.593 5.933 ( -1.004 -0.697 6.658) 6.769 5.933 ( -1.004 0.697 6.658) 6.769 6.304 ( 1.683 -4.616 -1.973) 5.295 6.304 ( 1.683 4.616 -1.973) 5.295 6.577 ( 0.798 -4.598 2.912) 5.501 6.577 ( 0.798 4.598 2.912) 5.501 6.884 ( -2.611 -2.938 -4.409) 5.906 6.884 ( -2.611 2.938 -4.409) 5.906 7.018 ( -2.106 -2.470 -1.147) 3.443 7.018 ( -2.106 2.470 -1.147) 3.443 7.336 ( -5.339 -1.383 0.793) 5.572 7.336 ( -5.339 1.383 0.793) 5.572 7.539 ( -4.045 -3.435 1.046) 5.409 7.539 ( -4.045 3.435 1.046) 5.409 7.663 ( -0.906 -3.841 -0.666) 4.002 7.663 ( -0.906 3.841 -0.666) 4.002 7.967 ( -5.059 -2.670 -13.078) 14.274 7.967 ( -5.059 2.670 -13.078) 14.274 8.220 ( 0.083 -2.349 -6.559) 6.968 8.220 ( 0.083 2.349 -6.559) 6.968 8.335 ( -0.136 -2.483 10.627) 10.914 8.335 ( -0.136 2.483 10.627) 10.914 8.586 ( 0.572 -2.679 1.906) 3.337 8.586 ( 0.572 2.679 1.906) 3.337 9.049 ( -0.041 -3.898 2.277) 4.515 9.049 ( -0.041 3.898 2.277) 4.515 9.633 ( -0.364 -1.009 4.624) 4.747 9.633 ( -0.364 1.009 4.624) 4.747 10.633 ( -14.151 -4.055 -4.642) 15.435 10.633 ( -14.151 4.055 -4.642) 15.435 17.616 ( 0.007 -1.221 -0.075) 1.223 17.616 ( 0.007 1.221 -0.075) 1.223 17.672 ( 0.293 -1.336 0.234) 1.387 17.672 ( 0.293 1.336 0.234) 1.387 17.963 ( 0.121 -0.526 -0.118) 0.552 17.963 ( 0.121 0.526 -0.118) 0.552 18.027 ( 0.020 -0.162 0.048) 0.170 18.027 ( 0.020 0.162 0.048) 0.170 30.323 ( -0.492 -0.705 -1.363) 1.612 30.323 ( -0.492 0.705 -1.363) 1.612 30.488 ( 4.595 -0.921 2.102) 5.136 30.488 ( 4.595 0.921 2.102) 5.136 49.205 ( 1.070 -2.523 -1.667) 3.207 49.205 ( 1.070 2.523 -1.667) 3.207 49.909 ( 6.874 -9.181 1.089) 11.521 49.909 ( 6.874 9.181 1.089) 11.521 ======================= Grid point 31 (18/128) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.206 -10.629 12.173) 16.161 2.011 ( 0.206 10.629 12.173) 16.161 2.238 ( 8.671 -12.582 -4.769) 16.007 2.238 ( 8.671 12.582 -4.769) 16.007 3.000 ( -0.196 -3.081 2.073) 3.719 3.000 ( -0.196 3.081 2.073) 3.719 3.574 ( 3.760 -4.326 -1.827) 6.016 3.574 ( 3.760 4.326 -1.827) 6.016 3.870 ( 3.050 -3.551 -9.109) 10.241 3.870 ( 3.050 3.551 -9.109) 10.241 4.190 ( 10.137 -9.239 2.286) 13.905 4.190 ( 10.137 9.239 2.286) 13.905 4.510 ( -1.577 -4.920 -3.046) 5.998 4.510 ( -1.577 4.920 -3.046) 5.998 4.679 ( -2.996 -1.938 5.173) 6.284 4.679 ( -2.996 1.938 5.173) 6.284 4.874 ( 11.782 -9.447 -0.196) 15.103 4.874 ( 11.782 9.447 -0.196) 15.103 5.148 ( 6.718 -8.380 -3.351) 11.251 5.148 ( 6.718 8.380 -3.351) 11.251 5.424 ( 3.526 -6.540 4.049) 8.461 5.424 ( 3.526 6.540 4.049) 8.461 5.457 ( 2.347 -3.184 0.530) 3.991 5.457 ( 2.347 3.184 0.530) 3.991 5.725 ( -1.414 -1.076 5.708) 5.979 5.725 ( -1.414 1.076 5.708) 5.979 5.936 ( -0.091 -7.457 0.119) 7.458 5.936 ( -0.091 7.457 0.119) 7.458 6.313 ( 0.901 -4.464 -4.795) 6.613 6.313 ( 0.901 4.464 -4.795) 6.613 6.636 ( 1.910 -4.598 4.647) 6.811 6.636 ( 1.910 4.598 4.647) 6.811 6.784 ( -4.515 -4.862 -0.846) 6.688 6.784 ( -4.515 4.862 -0.846) 6.688 6.966 ( -1.398 -0.570 -1.786) 2.339 6.966 ( -1.398 0.570 -1.786) 2.339 7.149 ( -12.699 -2.408 1.930) 13.069 7.149 ( -12.699 2.408 1.930) 13.069 7.475 ( -3.194 -4.579 -1.770) 5.857 7.475 ( -3.194 4.579 -1.770) 5.857 7.648 ( -0.513 -4.765 1.720) 5.091 7.648 ( -0.513 4.765 1.720) 5.091 7.823 ( -0.670 -6.155 -10.998) 12.622 7.823 ( -0.670 6.155 -10.998) 12.622 8.179 ( 1.394 -6.898 -6.754) 9.754 8.179 ( 1.394 6.898 -6.754) 9.754 8.373 ( -2.945 -3.972 7.182) 8.720 8.373 ( -2.945 3.972 7.182) 8.720 8.594 ( -1.233 -2.972 1.649) 3.615 8.594 ( -1.233 2.972 1.649) 3.615 9.047 ( -1.809 -5.042 1.441) 5.547 9.047 ( -1.809 5.042 1.441) 5.547 9.668 ( -0.829 -0.846 7.042) 7.141 9.668 ( -0.829 0.846 7.042) 7.141 10.272 ( -16.697 -6.669 -5.596) 18.831 10.272 ( -16.697 6.669 -5.596) 18.831 17.616 ( 0.064 -0.331 -0.095) 0.350 17.616 ( 0.064 0.331 -0.095) 0.350 17.680 ( 0.276 -0.657 0.254) 0.756 17.680 ( 0.276 0.657 0.254) 0.756 17.964 ( 0.119 -0.601 -0.185) 0.640 17.964 ( 0.119 0.601 -0.185) 0.640 18.028 ( 0.066 -0.241 0.100) 0.269 18.028 ( 0.066 0.241 0.100) 0.269 30.299 ( -0.863 -0.571 -0.993) 1.434 30.299 ( -0.863 0.571 -0.993) 1.434 30.593 ( 4.001 -1.476 1.043) 4.390 30.593 ( 4.001 1.476 1.043) 4.390 49.211 ( 1.509 -3.674 -3.338) 5.188 49.211 ( 1.509 3.674 -3.338) 5.188 50.088 ( 9.251 -11.714 2.051) 15.067 50.088 ( 9.251 11.714 2.051) 15.067 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 7.198 -8.894 12.336) 16.826 2.201 ( 7.198 8.894 12.336) 16.826 2.432 ( 13.643 -10.133 -1.126) 17.032 2.432 ( 13.643 10.133 -1.126) 17.032 3.018 ( 0.607 -3.668 1.263) 3.926 3.018 ( 0.607 3.668 1.263) 3.926 3.638 ( 3.190 -2.505 0.130) 4.058 3.638 ( 3.190 2.505 0.130) 4.058 3.832 ( 0.622 -3.040 -8.119) 8.691 3.832 ( 0.622 3.040 -8.119) 8.691 4.254 ( -4.885 -7.703 -0.181) 9.123 4.254 ( -4.885 7.703 -0.181) 9.123 4.414 ( -1.234 -6.204 -5.997) 8.717 4.414 ( -1.234 6.204 -5.997) 8.717 4.780 ( 1.330 -2.377 -1.793) 3.261 4.780 ( 1.330 2.377 -1.793) 3.261 4.924 ( 5.630 -8.675 -1.673) 10.476 4.924 ( 5.630 8.675 -1.673) 10.477 5.311 ( -0.157 -5.248 4.199) 6.723 5.311 ( -0.157 5.248 4.199) 6.723 5.440 ( -0.024 -4.990 4.602) 6.788 5.440 ( -0.024 4.990 4.602) 6.788 5.616 ( 9.113 -6.462 2.560) 11.461 5.616 ( 9.113 6.462 2.560) 11.461 5.747 ( 2.117 -1.452 2.058) 3.291 5.747 ( 2.117 1.452 2.058) 3.291 5.960 ( 3.420 -7.948 -2.187) 8.925 5.960 ( 3.420 7.948 -2.187) 8.925 6.315 ( 3.552 -7.958 -3.363) 9.341 6.315 ( 3.552 7.958 -3.363) 9.341 6.621 ( -1.960 -5.315 -1.699) 5.913 6.621 ( -1.960 5.315 -1.699) 5.913 6.779 ( -1.967 -2.085 8.887) 9.338 6.779 ( -1.967 2.085 8.887) 9.338 6.886 ( -7.478 -2.922 0.046) 8.029 6.886 ( -7.478 2.922 0.046) 8.029 7.006 ( -0.513 -3.073 2.120) 3.768 7.006 ( -0.513 3.073 2.120) 3.768 7.368 ( -5.953 -4.986 -3.080) 8.353 7.368 ( -5.953 4.986 -3.080) 8.353 7.648 ( -1.312 -7.750 1.049) 7.930 7.648 ( -1.312 7.750 1.049) 7.930 7.751 ( 0.652 -5.694 -8.179) 9.987 7.751 ( 0.652 5.694 -8.179) 9.987 8.168 ( 0.992 -8.146 -4.239) 9.237 8.168 ( 0.992 8.146 -4.239) 9.237 8.342 ( -3.224 -7.732 2.851) 8.850 8.342 ( -3.224 7.732 2.851) 8.850 8.570 ( -1.889 -5.053 0.956) 5.479 8.570 ( -1.889 5.053 0.956) 5.479 9.006 ( -2.817 -7.039 0.687) 7.612 9.006 ( -2.817 7.039 0.687) 7.612 9.701 ( -0.948 -0.758 6.029) 6.150 9.701 ( -0.948 0.758 6.029) 6.150 9.956 ( -11.018 -7.615 -3.846) 13.935 9.956 ( -11.018 7.615 -3.846) 13.935 17.617 ( 0.088 -0.468 -0.074) 0.482 17.617 ( 0.088 0.468 -0.074) 0.482 17.686 ( 0.153 -0.322 0.163) 0.392 17.686 ( 0.153 0.322 0.163) 0.392 17.964 ( 0.020 -0.570 -0.183) 0.599 17.964 ( 0.020 0.570 -0.183) 0.599 18.031 ( 0.113 -0.268 0.120) 0.314 18.031 ( 0.113 0.268 0.120) 0.314 30.281 ( -0.332 -0.604 -0.397) 0.795 30.281 ( -0.332 0.604 -0.397) 0.795 30.646 ( 1.236 -1.414 -0.195) 1.888 30.646 ( 1.236 1.414 -0.195) 1.888 49.216 ( 1.578 -3.790 -3.165) 5.184 49.216 ( 1.578 3.790 -3.165) 5.184 50.269 ( 7.073 -10.209 1.829) 12.554 50.269 ( 7.073 10.209 1.829) 12.554 ======================= Grid point 35 (20/128) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 3.250 -5.274 3.795) 7.265 2.375 ( 3.250 5.274 3.795) 7.265 2.710 ( 9.863 -3.999 2.975) 11.051 2.710 ( 9.863 3.999 2.975) 11.051 3.044 ( 1.535 -2.572 0.368) 3.018 3.044 ( 1.535 2.572 0.368) 3.018 3.642 ( -2.243 -5.341 -2.571) 6.338 3.642 ( -2.243 5.341 -2.571) 6.338 3.836 ( 4.140 -8.917 2.049) 10.042 3.836 ( 4.140 8.917 2.049) 10.042 4.036 ( -10.391 -8.627 -6.069) 14.807 4.036 ( -10.391 8.627 -6.069) 14.807 4.474 ( 7.489 -12.187 -1.725) 14.408 4.474 ( 7.489 12.187 -1.725) 14.408 4.667 ( -6.887 -7.686 -0.836) 10.354 4.667 ( -6.887 7.686 -0.836) 10.354 5.029 ( 0.576 -11.226 0.243) 11.244 5.029 ( 0.576 11.226 0.243) 11.244 5.313 ( 2.916 -2.061 -0.830) 3.666 5.313 ( 2.916 2.061 -0.830) 3.666 5.481 ( -0.907 -3.611 3.745) 5.281 5.481 ( -0.907 3.611 3.745) 5.281 5.702 ( 0.616 -2.524 0.853) 2.734 5.702 ( 0.616 2.524 0.853) 2.734 5.829 ( 2.674 -1.226 -0.137) 2.945 5.829 ( 2.674 1.226 -0.137) 2.945 6.025 ( 3.175 -7.758 -1.559) 8.527 6.025 ( 3.175 7.758 -1.559) 8.527 6.330 ( -0.692 -2.605 -1.286) 2.987 6.330 ( -0.692 2.605 -1.286) 2.987 6.684 ( -1.846 -4.417 4.030) 6.258 6.684 ( -1.846 4.417 4.030) 6.258 6.731 ( 5.266 -10.240 2.312) 11.745 6.731 ( 5.266 10.240 2.312) 11.745 6.859 ( -0.012 -5.167 2.841) 5.897 6.859 ( -0.012 5.167 2.841) 5.897 7.033 ( 1.070 -3.215 -1.059) 3.550 7.033 ( 1.070 3.215 -1.059) 3.550 7.200 ( -7.508 -3.243 -2.823) 8.652 7.200 ( -7.508 3.243 -2.823) 8.652 7.616 ( -1.462 -5.814 -0.091) 5.996 7.616 ( -1.462 5.814 -0.091) 5.996 7.719 ( 0.282 -8.951 -2.955) 9.430 7.719 ( 0.282 8.951 -2.955) 9.430 8.133 ( -1.532 -3.391 -1.157) 3.897 8.133 ( -1.532 3.391 -1.157) 3.897 8.328 ( 0.379 -4.719 0.053) 4.734 8.328 ( 0.379 4.719 0.053) 4.734 8.547 ( -0.838 -3.966 0.398) 4.073 8.547 ( -0.838 3.966 0.398) 4.073 8.965 ( -1.421 -7.872 0.357) 8.007 8.965 ( -1.421 7.872 0.357) 8.007 9.721 ( -0.402 -0.795 2.585) 2.734 9.721 ( -0.402 0.795 2.585) 2.734 9.794 ( -3.545 -7.245 -1.542) 8.211 9.794 ( -3.545 7.245 -1.542) 8.211 17.618 ( 0.041 -0.721 -0.027) 0.722 17.618 ( 0.041 0.721 -0.027) 0.722 17.688 ( 0.046 -0.124 0.054) 0.143 17.688 ( 0.046 0.124 0.054) 0.143 17.963 ( -0.016 -0.478 -0.079) 0.485 17.963 ( -0.016 0.478 -0.079) 0.485 18.033 ( 0.061 -0.263 0.056) 0.276 18.033 ( 0.061 0.263 0.056) 0.276 30.277 ( 0.009 -0.582 -0.057) 0.585 30.277 ( 0.009 0.582 -0.057) 0.585 30.653 ( 0.026 -1.275 -0.287) 1.307 30.653 ( 0.026 1.275 -0.287) 1.307 49.223 ( 0.707 -4.012 -1.262) 4.264 49.223 ( 0.707 4.012 -1.262) 4.264 50.375 ( 2.578 -7.485 0.707) 7.949 50.375 ( 2.578 7.485 0.707) 7.949 ======================= Grid point 63 (21/128) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 14.312 0.000 30.923) 34.074 0.696 ( 11.004 0.000 35.133) 36.816 1.212 ( -7.890 0.000 61.103) 61.610 3.001 ( -1.638 0.000 2.940) 3.365 3.193 ( -1.167 0.000 -12.399) 12.454 3.369 ( -4.692 0.000 1.981) 5.093 3.385 ( 0.820 0.000 -9.510) 9.545 3.735 ( 2.183 0.000 6.110) 6.488 3.784 ( -2.913 0.000 -8.116) 8.623 3.937 ( 3.020 0.000 2.816) 4.129 3.966 ( 0.807 0.000 -3.340) 3.436 4.150 ( -7.670 0.000 -5.740) 9.580 4.248 ( 2.585 0.000 4.543) 5.227 4.292 ( -2.239 0.000 3.801) 4.411 4.441 ( 2.337 0.000 3.955) 4.594 4.627 ( -5.425 0.000 1.011) 5.519 4.918 ( 11.992 0.000 10.906) 16.209 4.942 ( 1.645 0.000 7.346) 7.528 5.039 ( -3.171 0.000 -0.209) 3.178 5.155 ( -2.424 0.000 0.116) 2.427 5.170 ( -1.795 0.000 0.437) 1.847 5.298 ( 2.494 0.000 2.572) 3.583 5.458 ( -2.103 0.000 3.712) 4.267 5.649 ( 1.520 0.000 -2.669) 3.072 5.745 ( 8.618 0.000 -0.985) 8.675 5.898 ( -6.541 0.000 5.304) 8.422 6.023 ( 6.434 0.000 8.055) 10.310 6.255 ( -1.013 0.000 -12.747) 12.787 6.278 ( -0.389 0.000 -22.095) 22.098 6.412 ( 1.248 0.000 -11.798) 11.863 6.557 ( -7.991 0.000 -2.321) 8.321 6.616 ( 5.246 0.000 1.237) 5.390 6.667 ( 8.982 0.000 1.040) 9.042 6.785 ( 1.064 0.000 2.640) 2.847 6.861 ( -9.542 0.000 -7.735) 12.283 6.969 ( -0.385 0.000 -2.264) 2.297 7.025 ( 3.864 0.000 -6.061) 7.188 7.038 ( -2.011 0.000 -0.703) 2.130 7.331 ( 4.634 0.000 4.085) 6.177 7.379 ( 3.027 0.000 3.353) 4.517 7.625 ( 0.517 0.000 6.540) 6.561 7.666 ( 4.883 0.000 -3.726) 6.142 7.812 ( 1.963 0.000 10.746) 10.924 7.913 ( -11.186 0.000 2.253) 11.410 8.116 ( -4.474 0.000 1.320) 4.665 8.204 ( 0.817 0.000 -6.271) 6.324 8.302 ( -1.882 0.000 3.466) 3.944 8.368 ( -0.633 0.000 0.437) 0.769 8.527 ( 1.205 0.000 2.676) 2.935 8.924 ( 1.649 0.000 -18.454) 18.527 9.398 ( 2.248 0.000 1.784) 2.870 9.566 ( -0.265 0.000 -1.260) 1.288 9.592 ( 4.290 0.000 5.833) 7.241 9.879 ( -4.344 0.000 16.756) 17.310 10.622 ( -12.209 0.000 -5.438) 13.365 11.077 ( -17.168 0.000 -3.568) 17.535 17.568 ( 2.974 0.000 0.086) 2.975 17.580 ( -0.342 0.000 -0.099) 0.356 17.686 ( -0.008 0.000 0.247) 0.247 17.712 ( 0.073 0.000 -0.082) 0.109 17.961 ( -1.953 0.000 0.429) 2.000 17.981 ( 0.010 0.000 0.390) 0.391 18.020 ( -0.112 0.000 -0.248) 0.272 18.029 ( 0.307 0.000 -0.124) 0.331 30.319 ( -0.789 0.000 0.040) 0.790 30.348 ( 0.679 0.000 -0.211) 0.711 30.387 ( -0.460 0.000 0.338) 0.571 30.432 ( 0.155 0.000 -0.265) 0.307 49.071 ( -3.451 0.000 0.494) 3.486 49.196 ( 2.906 0.000 -1.075) 3.099 49.383 ( 59.137 0.000 0.469) 59.139 49.553 ( -2.575 0.000 -1.646) 3.056 ======================= Grid point 64 (22/128) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 13.350 0.000 35.020) 37.479 1.330 ( 24.147 0.000 27.920) 36.914 1.932 ( 37.914 0.000 39.826) 54.987 2.959 ( -0.372 0.000 -9.376) 9.383 3.078 ( 0.448 0.000 -5.884) 5.902 3.283 ( -2.536 0.000 -15.104) 15.316 3.421 ( 2.909 0.000 8.870) 9.335 3.695 ( -1.780 0.000 -5.362) 5.649 3.859 ( 4.192 0.000 8.314) 9.311 3.870 ( -8.838 0.000 -12.673) 15.451 3.951 ( -0.384 0.000 -3.812) 3.832 4.028 ( 3.625 0.000 -0.630) 3.680 4.261 ( -3.333 0.000 4.067) 5.259 4.359 ( -11.883 0.000 4.303) 12.638 4.450 ( 12.624 0.000 6.713) 14.298 4.649 ( 0.312 0.000 2.161) 2.183 4.959 ( -7.350 0.000 1.678) 7.539 5.009 ( 2.471 0.000 0.044) 2.471 5.063 ( -4.679 0.000 1.247) 4.843 5.101 ( -0.423 0.000 2.830) 2.861 5.209 ( 8.145 0.000 -3.069) 8.704 5.388 ( -0.467 0.000 8.624) 8.637 5.579 ( 13.483 0.000 3.452) 13.918 5.582 ( -6.019 0.000 -3.392) 6.909 5.817 ( -5.860 0.000 4.499) 7.388 5.934 ( 6.641 0.000 2.099) 6.964 6.068 ( -7.127 0.000 -7.649) 10.455 6.135 ( 1.042 0.000 -21.776) 21.801 6.215 ( 7.264 0.000 7.301) 10.299 6.336 ( 1.816 0.000 -11.685) 11.825 6.389 ( -4.931 0.000 -7.332) 8.835 6.575 ( -7.739 0.000 -12.015) 14.291 6.699 ( -0.763 0.000 -2.945) 3.042 6.753 ( 8.900 0.000 -3.259) 9.478 6.848 ( -3.166 0.000 -0.332) 3.183 6.989 ( -0.708 0.000 -1.808) 1.942 6.989 ( 2.765 0.000 -4.121) 4.962 7.071 ( 3.760 0.000 4.884) 6.164 7.391 ( -1.919 0.000 1.127) 2.225 7.428 ( -0.058 0.000 5.417) 5.417 7.681 ( -3.265 0.000 4.396) 5.476 7.692 ( 0.145 0.000 8.780) 8.781 7.898 ( -0.543 0.000 6.757) 6.779 7.943 ( 6.320 0.000 -0.840) 6.375 8.067 ( -3.573 0.000 3.042) 4.692 8.237 ( 7.207 0.000 -7.339) 10.286 8.244 ( -3.569 0.000 -4.942) 6.096 8.337 ( -2.951 0.000 4.488) 5.371 8.543 ( -1.381 0.000 2.908) 3.219 8.799 ( -0.736 0.000 -15.491) 15.509 9.435 ( 0.802 0.000 0.788) 1.124 9.538 ( -1.558 0.000 -1.634) 2.258 9.692 ( 1.362 0.000 5.315) 5.487 9.925 ( -6.250 0.000 21.139) 22.044 10.084 ( -29.406 0.000 6.949) 30.216 10.779 ( -11.339 0.000 -3.738) 11.939 17.575 ( -0.038 0.000 -0.388) 0.390 17.604 ( 1.095 0.000 -0.184) 1.110 17.685 ( -0.251 0.000 0.274) 0.372 17.712 ( -0.021 0.000 -0.107) 0.109 17.942 ( -0.504 0.000 0.578) 0.767 17.986 ( 0.131 0.000 0.388) 0.410 18.017 ( -0.045 0.000 -0.139) 0.146 18.034 ( 0.208 0.000 -0.134) 0.247 30.316 ( 0.518 0.000 -0.399) 0.654 30.377 ( 2.039 0.000 -0.072) 2.040 30.386 ( 0.127 0.000 -0.331) 0.355 30.422 ( -0.705 0.000 0.098) 0.711 49.031 ( -0.100 0.000 -1.899) 1.901 49.331 ( 10.390 0.000 0.839) 10.424 49.482 ( -1.735 0.000 -4.066) 4.421 50.378 ( 36.796 0.000 -27.665) 46.036 ======================= Grid point 65 (23/128) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 10.330 0.000 34.956) 36.450 1.977 ( 22.239 0.000 19.806) 29.781 2.922 ( 6.609 0.000 -13.530) 15.058 2.982 ( 39.074 0.000 19.438) 43.642 3.076 ( -6.320 0.000 -13.897) 15.266 3.086 ( 1.022 0.000 1.782) 2.054 3.443 ( -12.322 0.000 -10.649) 16.287 3.571 ( 3.973 0.000 11.189) 11.874 3.850 ( 7.391 0.000 -7.288) 10.380 3.946 ( 4.755 0.000 3.045) 5.646 3.982 ( -4.819 0.000 1.081) 4.939 4.015 ( 1.915 0.000 4.017) 4.450 4.140 ( -11.657 0.000 4.644) 12.548 4.270 ( 1.425 0.000 3.043) 3.360 4.578 ( -4.503 0.000 -4.719) 6.523 4.737 ( 1.940 0.000 0.777) 2.090 4.844 ( 5.813 0.000 2.905) 6.499 4.999 ( -2.718 0.000 2.871) 3.953 5.060 ( -4.719 0.000 0.238) 4.725 5.149 ( 8.345 0.000 2.336) 8.666 5.284 ( 2.556 0.000 -1.789) 3.120 5.425 ( -6.937 0.000 -2.841) 7.496 5.453 ( 0.333 0.000 8.420) 8.426 5.691 ( -4.706 0.000 -0.428) 4.725 5.842 ( 0.802 0.000 7.248) 7.292 5.916 ( -2.432 0.000 -7.921) 8.286 5.986 ( -2.992 0.000 -8.391) 8.908 6.046 ( 8.375 0.000 -1.437) 8.497 6.237 ( -0.885 0.000 -9.792) 9.832 6.297 ( 3.455 0.000 -13.475) 13.911 6.439 ( 1.898 0.000 -9.087) 9.283 6.495 ( 12.819 0.000 4.498) 13.585 6.619 ( -6.269 0.000 -1.226) 6.388 6.730 ( -3.133 0.000 -6.897) 7.575 6.928 ( 7.004 0.000 3.555) 7.855 6.989 ( -0.640 0.000 -2.375) 2.460 7.011 ( 3.205 0.000 3.515) 4.756 7.126 ( -2.470 0.000 5.035) 5.608 7.314 ( -5.407 0.000 0.818) 5.469 7.473 ( -0.768 0.000 5.480) 5.534 7.634 ( -5.034 0.000 1.008) 5.134 7.756 ( -1.571 0.000 9.544) 9.673 7.842 ( -14.239 0.000 -5.136) 15.137 7.921 ( 0.939 0.000 1.820) 2.048 8.009 ( -4.653 0.000 7.679) 8.979 8.238 ( 6.677 0.000 -8.152) 10.538 8.304 ( -3.754 0.000 4.730) 6.038 8.316 ( 5.997 0.000 -9.524) 11.255 8.527 ( -2.369 0.000 1.852) 3.007 8.705 ( 2.801 0.000 -10.186) 10.565 9.444 ( -0.451 0.000 0.641) 0.784 9.460 ( -7.235 0.000 -0.750) 7.274 9.681 ( -13.842 0.000 1.230) 13.896 9.723 ( -2.136 0.000 4.197) 4.710 9.946 ( -7.891 0.000 20.922) 22.361 10.509 ( -12.176 0.000 -5.514) 13.367 17.574 ( 0.290 0.000 -0.487) 0.567 17.623 ( 0.932 0.000 0.278) 0.973 17.681 ( -0.392 0.000 0.274) 0.479 17.708 ( -0.310 0.000 -0.270) 0.411 17.942 ( 0.007 0.000 0.543) 0.543 17.990 ( 0.045 0.000 0.255) 0.259 18.016 ( -0.021 0.000 -0.062) 0.065 18.035 ( 0.056 0.000 -0.116) 0.129 30.329 ( 1.198 0.000 -0.835) 1.461 30.383 ( 0.094 0.000 -0.964) 0.969 30.388 ( -0.862 0.000 0.701) 1.111 30.435 ( 1.531 0.000 0.015) 1.531 49.035 ( 2.139 0.000 -2.433) 3.239 49.447 ( 1.409 0.000 -3.564) 3.832 49.585 ( 13.903 0.000 1.347) 13.968 50.629 ( 11.207 0.000 -17.196) 20.525 ======================= Grid point 66 (24/128) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 10.345 0.000 29.664) 31.417 2.461 ( 14.653 0.000 10.600) 18.085 2.837 ( -9.440 0.000 -6.375) 11.391 3.022 ( 10.970 0.000 -5.996) 12.502 3.130 ( 0.917 0.000 3.431) 3.552 3.154 ( -8.878 0.000 -6.685) 11.114 3.494 ( 6.500 0.000 -1.627) 6.701 3.695 ( 0.877 0.000 1.208) 1.493 3.816 ( -1.768 0.000 -3.333) 3.773 3.831 ( -6.855 0.000 5.482) 8.778 3.998 ( -2.810 0.000 3.261) 4.305 4.065 ( -3.022 0.000 4.604) 5.507 4.298 ( -0.289 0.000 0.338) 0.445 4.462 ( 10.996 0.000 -3.466) 11.529 4.539 ( 24.216 0.000 12.118) 27.079 4.665 ( -3.006 0.000 2.852) 4.144 4.922 ( -4.565 0.000 4.243) 6.232 4.993 ( -1.032 0.000 4.449) 4.567 5.162 ( 7.910 0.000 0.254) 7.914 5.264 ( 1.047 0.000 1.388) 1.738 5.314 ( 2.707 0.000 -1.310) 3.007 5.353 ( 3.789 0.000 -3.248) 4.990 5.435 ( -4.642 0.000 12.124) 12.983 5.698 ( 3.359 0.000 2.659) 4.284 5.844 ( 0.934 0.000 -0.883) 1.286 5.854 ( 1.590 0.000 -12.474) 12.575 5.877 ( -2.529 0.000 -1.554) 2.968 6.130 ( -0.079 0.000 -10.122) 10.122 6.230 ( 8.497 0.000 -6.537) 10.721 6.280 ( 3.804 0.000 -13.265) 13.800 6.421 ( 0.123 0.000 -4.776) 4.777 6.444 ( -8.118 0.000 -3.686) 8.915 6.710 ( 6.149 0.000 -3.120) 6.895 6.739 ( 7.544 0.000 1.255) 7.647 6.919 ( -5.738 0.000 0.983) 5.822 6.969 ( -7.459 0.000 8.279) 11.144 7.101 ( -1.700 0.000 1.392) 2.198 7.151 ( 2.630 0.000 4.871) 5.536 7.200 ( -14.599 0.000 1.758) 14.704 7.359 ( -4.232 0.000 -10.763) 11.565 7.450 ( -4.923 0.000 3.521) 6.053 7.700 ( -2.929 0.000 6.477) 7.108 7.736 ( -6.035 0.000 5.630) 8.253 7.953 ( -4.817 0.000 5.190) 7.081 7.999 ( 4.469 0.000 3.315) 5.564 8.195 ( -3.466 0.000 -4.623) 5.778 8.302 ( 0.935 0.000 -10.367) 10.409 8.374 ( 5.800 0.000 1.583) 6.012 8.500 ( -1.635 0.000 2.560) 3.038 8.749 ( 7.799 0.000 -9.440) 12.245 9.239 ( -11.620 0.000 -0.528) 11.632 9.432 ( -1.053 0.000 0.785) 1.313 9.564 ( -1.333 0.000 -1.060) 1.703 9.663 ( -6.394 0.000 1.916) 6.675 9.949 ( -6.620 0.000 17.426) 18.640 10.253 ( -9.299 0.000 -4.190) 10.200 17.578 ( 0.521 0.000 -0.329) 0.616 17.646 ( 1.071 0.000 0.410) 1.147 17.675 ( -0.422 0.000 0.249) 0.490 17.695 ( -0.697 0.000 -0.512) 0.865 17.949 ( 0.137 0.000 0.622) 0.637 17.991 ( -0.095 0.000 0.188) 0.211 18.015 ( -0.016 0.000 -0.112) 0.113 18.034 ( -0.049 0.000 -0.034) 0.060 30.345 ( 1.215 0.000 -1.363) 1.826 30.379 ( 0.271 0.000 -0.622) 0.678 30.381 ( -0.467 0.000 1.169) 1.259 30.450 ( -0.006 0.000 -0.258) 0.258 49.075 ( 3.047 0.000 -0.396) 3.073 49.480 ( 3.310 0.000 -0.930) 3.438 49.857 ( 12.218 0.000 0.150) 12.219 50.648 ( 3.253 0.000 -11.620) 12.067 ======================= Grid point 67 (25/128) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -6.783 0.000 10.682) 12.653 2.662 ( -1.798 0.000 15.513) 15.617 2.694 ( 2.962 0.000 3.864) 4.869 3.036 ( 2.431 0.000 -1.552) 2.884 3.137 ( -2.706 0.000 1.722) 3.208 3.180 ( 3.910 0.000 0.459) 3.937 3.512 ( 1.135 0.000 -0.741) 1.356 3.724 ( 8.392 0.000 -1.481) 8.522 3.763 ( -6.135 0.000 2.531) 6.636 3.808 ( 2.030 0.000 -1.638) 2.609 3.983 ( -1.058 0.000 1.401) 1.755 4.017 ( -4.109 0.000 7.275) 8.355 4.301 ( -0.192 0.000 1.595) 1.607 4.536 ( 7.410 0.000 -2.723) 7.895 4.699 ( 1.935 0.000 7.869) 8.103 4.816 ( -9.425 0.000 6.677) 11.551 4.967 ( -2.480 0.000 5.013) 5.592 5.029 ( -2.242 0.000 9.299) 9.566 5.240 ( 4.373 0.000 -3.160) 5.395 5.310 ( 4.657 0.000 -1.688) 4.953 5.319 ( 0.476 0.000 2.262) 2.311 5.483 ( 8.726 0.000 -0.718) 8.755 5.627 ( -12.287 0.000 -5.682) 13.537 5.683 ( -0.302 0.000 0.954) 1.001 5.772 ( 13.592 0.000 7.499) 15.524 5.865 ( -4.141 0.000 -3.509) 5.427 6.017 ( 13.116 0.000 -3.932) 13.693 6.057 ( 4.973 0.000 -9.452) 10.681 6.187 ( -3.121 0.000 -13.182) 13.546 6.246 ( 0.262 0.000 -8.209) 8.213 6.295 ( 1.342 0.000 -12.446) 12.518 6.420 ( 1.639 0.000 3.508) 3.872 6.616 ( -9.666 0.000 -4.773) 10.781 6.797 ( -3.712 0.000 -0.534) 3.750 6.818 ( -5.147 0.000 2.177) 5.588 6.900 ( 8.381 0.000 3.739) 9.177 7.073 ( -1.186 0.000 -3.148) 3.364 7.074 ( -1.823 0.000 7.053) 7.285 7.206 ( 1.973 0.000 1.965) 2.785 7.333 ( -0.395 0.000 -4.378) 4.395 7.360 ( -4.911 0.000 0.750) 4.968 7.649 ( -6.330 0.000 5.820) 8.599 7.668 ( -6.038 0.000 5.335) 8.057 7.931 ( -1.927 0.000 1.587) 2.496 8.083 ( -1.090 0.000 2.341) 2.582 8.139 ( 0.146 0.000 4.192) 4.194 8.253 ( 3.342 0.000 -7.315) 8.042 8.488 ( -0.947 0.000 1.844) 2.073 8.506 ( 5.946 0.000 2.866) 6.601 8.828 ( 7.734 0.000 -11.188) 13.601 9.060 ( -5.356 0.000 -2.021) 5.724 9.421 ( -0.630 0.000 0.810) 1.026 9.511 ( -8.691 0.000 -2.154) 8.954 9.552 ( 0.456 0.000 -0.944) 1.048 9.948 ( -5.566 0.000 13.060) 14.196 10.121 ( -1.422 0.000 -0.607) 1.546 17.588 ( 0.505 0.000 0.055) 0.508 17.668 ( 0.263 0.000 0.107) 0.284 17.669 ( -0.327 0.000 0.153) 0.361 17.675 ( -0.221 0.000 -0.480) 0.529 17.954 ( -0.114 0.000 0.521) 0.534 17.991 ( -0.029 0.000 0.341) 0.342 18.014 ( 0.007 0.000 -0.185) 0.185 18.033 ( -0.029 0.000 0.027) 0.040 30.360 ( 1.441 0.000 -0.905) 1.702 30.377 ( -0.869 0.000 0.205) 0.892 30.385 ( 0.435 0.000 0.088) 0.444 30.442 ( -0.334 0.000 -0.049) 0.337 49.146 ( 2.813 0.000 3.556) 4.534 49.538 ( 1.818 0.000 1.512) 2.364 50.015 ( 3.797 0.000 -3.109) 4.908 50.625 ( 3.445 0.000 -8.328) 9.013 ======================= Grid point 68 (26/128) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -24.987 0.000 8.738) 26.471 2.568 ( -17.103 0.000 -2.560) 17.293 2.904 ( 8.917 0.000 12.641) 15.470 3.113 ( 0.283 0.000 2.206) 2.224 3.191 ( -0.313 0.000 0.167) 0.355 3.232 ( 11.169 0.000 10.100) 15.059 3.559 ( -12.260 0.000 -0.901) 12.293 3.574 ( 3.984 0.000 0.280) 3.994 3.843 ( 2.293 0.000 -1.681) 2.843 3.996 ( 1.053 0.000 4.705) 4.822 4.013 ( 6.893 0.000 8.265) 10.762 4.126 ( 13.551 0.000 9.480) 16.538 4.297 ( -1.043 0.000 0.501) 1.157 4.660 ( 2.517 0.000 1.409) 2.884 4.674 ( -7.904 0.000 5.781) 9.793 4.791 ( -17.869 0.000 -1.461) 17.929 4.817 ( 0.124 0.000 6.280) 6.282 5.055 ( -1.416 0.000 7.685) 7.815 5.164 ( -23.356 0.000 -7.602) 24.562 5.239 ( -1.907 0.000 -2.032) 2.786 5.316 ( -1.237 0.000 1.965) 2.322 5.381 ( -8.036 0.000 -4.854) 9.389 5.481 ( -1.475 0.000 0.413) 1.531 5.564 ( 2.970 0.000 -7.959) 8.495 5.653 ( 0.206 0.000 -2.953) 2.960 5.832 ( -5.846 0.000 -4.234) 7.219 6.021 ( -2.510 0.000 -4.874) 5.482 6.249 ( 10.497 0.000 -0.950) 10.540 6.322 ( 7.964 0.000 -5.626) 9.750 6.333 ( 8.928 0.000 -6.263) 10.906 6.424 ( 11.750 0.000 2.174) 11.950 6.519 ( -0.700 0.000 -6.105) 6.145 6.561 ( 11.667 0.000 -2.124) 11.858 6.735 ( -2.581 0.000 2.233) 3.413 6.774 ( 0.297 0.000 3.832) 3.844 6.984 ( -2.845 0.000 -4.844) 5.617 7.073 ( -0.619 0.000 5.373) 5.409 7.091 ( 7.539 0.000 -1.695) 7.727 7.211 ( -0.540 0.000 -0.340) 0.638 7.297 ( -1.486 0.000 -0.823) 1.699 7.369 ( 7.994 0.000 -6.233) 10.137 7.570 ( -5.008 0.000 2.243) 5.487 7.598 ( -4.812 0.000 9.429) 10.586 7.886 ( -3.572 0.000 5.239) 6.341 7.972 ( -6.853 0.000 -4.565) 8.234 8.216 ( 1.097 0.000 6.215) 6.311 8.302 ( 3.605 0.000 -5.515) 6.589 8.542 ( 4.983 0.000 5.276) 7.257 8.629 ( 0.634 0.000 7.238) 7.266 8.864 ( 3.854 0.000 -10.151) 10.858 9.034 ( 6.310 0.000 -2.302) 6.717 9.305 ( -7.308 0.000 -8.835) 11.466 9.422 ( -0.086 0.000 0.936) 0.939 9.560 ( 0.922 0.000 -0.534) 1.065 9.926 ( -5.346 0.000 9.278) 10.708 10.197 ( 7.668 0.000 2.976) 8.225 17.597 ( 0.165 0.000 0.521) 0.546 17.645 ( -1.122 0.000 -0.827) 1.394 17.665 ( -0.053 0.000 -0.028) 0.060 17.692 ( 0.827 0.000 0.137) 0.839 17.952 ( -0.351 0.000 0.480) 0.595 17.995 ( -0.019 0.000 0.463) 0.463 18.012 ( 0.045 0.000 -0.221) 0.225 18.034 ( 0.054 0.000 0.023) 0.059 30.352 ( -1.045 0.000 -0.593) 1.202 30.385 ( 0.781 0.000 0.356) 0.858 30.396 ( 0.731 0.000 0.534) 0.905 30.438 ( -0.072 0.000 -0.767) 0.770 49.230 ( 0.980 0.000 7.699) 7.761 49.563 ( -0.809 0.000 2.474) 2.603 49.940 ( -6.801 0.000 -6.588) 9.469 50.671 ( 6.545 0.000 -7.235) 9.756 ======================= Grid point 69 (27/128) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -28.848 0.000 14.536) 32.303 2.056 ( -29.477 0.000 -7.065) 30.312 3.152 ( 0.182 0.000 3.841) 3.845 3.182 ( 8.937 0.000 6.348) 10.962 3.224 ( 3.871 0.000 -0.049) 3.871 3.316 ( -11.226 0.000 0.545) 11.239 3.349 ( -20.277 0.000 -0.687) 20.289 3.630 ( 5.404 0.000 10.913) 12.178 3.848 ( 0.500 0.000 -6.769) 6.787 4.096 ( -3.087 0.000 3.524) 4.684 4.152 ( 1.646 0.000 9.731) 9.869 4.212 ( -8.931 0.000 4.795) 10.137 4.225 ( -6.444 0.000 -2.599) 6.948 4.367 ( -5.346 0.000 13.043) 14.096 4.702 ( 9.162 0.000 2.791) 9.578 4.703 ( -3.003 0.000 1.872) 3.539 4.843 ( 3.747 0.000 -0.310) 3.760 4.954 ( 0.257 0.000 -2.631) 2.643 4.992 ( -18.980 0.000 -6.422) 20.037 5.098 ( -2.384 0.000 9.479) 9.774 5.279 ( -3.116 0.000 -1.493) 3.455 5.318 ( 2.295 0.000 -4.558) 5.103 5.501 ( 1.052 0.000 2.550) 2.759 5.615 ( 10.417 0.000 -1.003) 10.465 5.664 ( -7.841 0.000 -2.211) 8.146 5.698 ( 4.696 0.000 -0.099) 4.697 6.057 ( 6.973 0.000 -1.223) 7.079 6.248 ( -9.413 0.000 -9.701) 13.517 6.402 ( -8.585 0.000 0.859) 8.627 6.405 ( 6.284 0.000 -1.051) 6.371 6.509 ( 10.026 0.000 0.351) 10.032 6.521 ( 5.576 0.000 -6.487) 8.554 6.707 ( 0.588 0.000 -2.050) 2.132 6.774 ( 8.555 0.000 -4.987) 9.902 6.786 ( -2.248 0.000 3.076) 3.810 6.913 ( 1.311 0.000 -3.695) 3.921 7.093 ( -0.294 0.000 0.628) 0.694 7.176 ( 5.302 0.000 -9.930) 11.257 7.279 ( -1.801 0.000 -6.279) 6.532 7.289 ( -0.917 0.000 6.161) 6.229 7.420 ( 10.072 0.000 -5.447) 11.450 7.593 ( -3.931 0.000 10.095) 10.834 7.683 ( 10.671 0.000 5.970) 12.227 7.804 ( -5.697 0.000 -5.669) 8.037 7.923 ( 1.787 0.000 12.173) 12.303 8.254 ( -0.862 0.000 4.372) 4.456 8.299 ( 1.799 0.000 -6.422) 6.669 8.596 ( -6.337 0.000 2.091) 6.673 8.741 ( 5.162 0.000 9.659) 10.952 8.798 ( -1.400 0.000 -6.956) 7.095 9.136 ( 1.235 0.000 -17.259) 17.303 9.272 ( 13.960 0.000 5.180) 14.890 9.431 ( 0.370 0.000 0.511) 0.631 9.589 ( 2.460 0.000 0.590) 2.530 9.887 ( -4.812 0.000 7.178) 8.642 10.428 ( 12.054 0.000 4.322) 12.806 17.601 ( -0.330 0.000 0.775) 0.843 17.617 ( -1.001 0.000 -0.989) 1.407 17.667 ( 0.305 0.000 -0.127) 0.330 17.705 ( 0.473 0.000 -0.034) 0.475 17.950 ( -0.270 0.000 0.698) 0.748 17.996 ( -0.256 0.000 0.394) 0.470 18.012 ( 0.138 0.000 -0.178) 0.225 18.035 ( 0.031 0.000 -0.091) 0.096 30.341 ( 0.468 0.000 -0.646) 0.798 30.387 ( -0.879 0.000 1.035) 1.358 30.418 ( -0.744 0.000 -2.260) 2.379 30.419 ( 0.512 0.000 0.874) 1.013 49.281 ( -3.206 0.000 9.732) 10.246 49.559 ( -0.887 0.000 2.555) 2.704 49.698 ( -11.317 0.000 -7.479) 13.565 50.728 ( 5.674 0.000 -11.826) 13.117 ======================= Grid point 70 (28/128) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -29.911 0.000 23.115) 37.801 1.369 ( -34.550 0.000 -5.486) 34.983 2.398 ( -56.250 0.000 -4.635) 56.441 3.124 ( -6.847 0.000 0.683) 6.881 3.184 ( 0.582 0.000 0.230) 0.625 3.340 ( 4.004 0.000 6.660) 7.771 3.426 ( 4.974 0.000 2.293) 5.477 3.764 ( 2.831 0.000 0.711) 2.919 3.964 ( 10.914 0.000 7.468) 13.225 4.041 ( -8.748 0.000 -1.056) 8.811 4.058 ( 2.452 0.000 -0.435) 2.491 4.168 ( -8.586 0.000 2.717) 9.006 4.306 ( -5.922 0.000 8.725) 10.545 4.392 ( 6.385 0.000 10.642) 12.410 4.519 ( -18.038 0.000 -8.745) 20.046 4.598 ( -7.369 0.000 -0.713) 7.403 4.874 ( 2.243 0.000 4.019) 4.602 4.923 ( 6.091 0.000 -1.971) 6.402 4.961 ( -2.105 0.000 1.422) 2.540 5.114 ( -0.464 0.000 5.981) 5.999 5.196 ( -2.498 0.000 -2.966) 3.878 5.439 ( 11.495 0.000 -2.611) 11.788 5.441 ( -6.269 0.000 -9.151) 11.092 5.608 ( -0.152 0.000 10.668) 10.669 5.796 ( 4.061 0.000 -0.649) 4.113 5.915 ( 17.235 0.000 2.963) 17.488 5.951 ( -12.782 0.000 -5.999) 14.120 6.180 ( -11.019 0.000 -3.137) 11.457 6.210 ( 8.367 0.000 -0.445) 8.378 6.477 ( 3.031 0.000 -5.070) 5.907 6.581 ( 2.472 0.000 -0.977) 2.658 6.599 ( -0.589 0.000 -6.895) 6.920 6.753 ( 4.747 0.000 3.277) 5.768 6.795 ( 2.198 0.000 1.364) 2.586 6.822 ( 3.332 0.000 -4.928) 5.949 7.021 ( 10.153 0.000 -3.306) 10.678 7.040 ( -5.136 0.000 -5.393) 7.447 7.151 ( 1.234 0.000 -11.252) 11.320 7.196 ( 2.073 0.000 -6.379) 6.707 7.342 ( -2.872 0.000 10.470) 10.857 7.557 ( 6.629 0.000 -5.071) 8.346 7.571 ( -1.713 0.000 -1.538) 2.302 7.689 ( -4.515 0.000 4.864) 6.637 7.918 ( 5.747 0.000 14.272) 15.386 8.136 ( 9.102 0.000 7.900) 12.052 8.267 ( -1.103 0.000 4.600) 4.730 8.306 ( 2.838 0.000 -3.430) 4.452 8.457 ( -6.713 0.000 -3.666) 7.648 8.573 ( -9.602 0.000 -3.605) 10.257 9.028 ( 11.783 0.000 3.594) 12.319 9.073 ( 4.960 0.000 -16.312) 17.049 9.446 ( 0.818 0.000 0.526) 0.972 9.517 ( 4.813 0.000 3.191) 5.775 9.735 ( 10.596 0.000 11.852) 15.898 9.856 ( -3.994 0.000 7.660) 8.639 10.697 ( 11.443 0.000 3.910) 12.092 17.591 ( -0.844 0.000 -1.326) 1.572 17.597 ( -0.591 0.000 0.633) 0.866 17.674 ( 0.422 0.000 -0.010) 0.422 17.710 ( 0.179 0.000 -0.137) 0.226 17.954 ( -0.021 0.000 1.040) 1.041 17.991 ( -0.467 0.000 0.343) 0.579 18.015 ( 0.256 0.000 -0.069) 0.265 18.033 ( -0.086 0.000 -0.283) 0.296 30.348 ( 0.388 0.000 -2.194) 2.228 30.370 ( -1.658 0.000 1.148) 2.017 30.392 ( 0.537 0.000 -1.272) 1.381 30.421 ( -0.925 0.000 0.733) 1.181 49.244 ( -6.834 0.000 7.455) 10.114 49.424 ( -10.333 0.000 -6.449) 12.181 49.577 ( 0.146 0.000 3.175) 3.178 50.656 ( -0.267 0.000 -28.167) 28.168 ======================= Grid point 71 (29/128) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -30.076 0.000 10.684) 31.917 0.879 ( -32.802 0.000 18.613) 37.715 1.349 ( -49.391 0.000 29.530) 57.546 3.028 ( -3.771 0.000 2.047) 4.290 3.210 ( 2.049 0.000 -1.560) 2.575 3.438 ( -0.299 0.000 -5.071) 5.080 3.452 ( 0.307 0.000 6.893) 6.900 3.837 ( -15.343 0.000 -6.681) 16.734 3.846 ( 2.973 0.000 -2.652) 3.984 3.921 ( -3.543 0.000 0.958) 3.671 4.027 ( -0.120 0.000 -5.818) 5.819 4.229 ( 0.440 0.000 8.527) 8.539 4.248 ( -3.875 0.000 1.047) 4.014 4.315 ( -4.072 0.000 4.704) 6.222 4.436 ( -0.478 0.000 -5.400) 5.421 4.629 ( 6.921 0.000 13.853) 15.486 4.821 ( -9.677 0.000 -5.040) 10.911 4.881 ( -0.028 0.000 3.250) 3.250 5.096 ( 6.762 0.000 2.759) 7.304 5.114 ( -2.973 0.000 -0.985) 3.132 5.204 ( -1.664 0.000 6.170) 6.390 5.273 ( -0.472 0.000 -8.319) 8.333 5.575 ( -11.018 0.000 3.498) 11.560 5.598 ( 6.362 0.000 -3.774) 7.398 5.750 ( -3.473 0.000 -5.917) 6.861 5.855 ( 3.430 0.000 5.637) 6.599 6.000 ( -6.245 0.000 1.934) 6.537 6.243 ( 12.414 0.000 -4.098) 13.073 6.361 ( 8.887 0.000 -5.482) 10.442 6.451 ( 1.009 0.000 -9.862) 9.913 6.501 ( 0.674 0.000 -9.517) 9.541 6.592 ( -1.604 0.000 2.227) 2.744 6.810 ( -10.520 0.000 -12.499) 16.337 6.815 ( 0.200 0.000 -3.377) 3.383 6.868 ( 1.360 0.000 5.605) 5.768 6.897 ( 6.984 0.000 0.910) 7.043 7.078 ( -0.967 0.000 -6.234) 6.308 7.213 ( -8.101 0.000 -2.290) 8.418 7.229 ( 6.517 0.000 0.173) 6.520 7.244 ( 3.324 0.000 1.478) 3.638 7.575 ( 1.058 0.000 2.985) 3.167 7.616 ( 4.399 0.000 -5.983) 7.426 7.705 ( -0.250 0.000 10.239) 10.242 8.097 ( -0.778 0.000 10.423) 10.452 8.236 ( -5.612 0.000 -4.505) 7.197 8.285 ( -3.731 0.000 -3.606) 5.189 8.314 ( 5.312 0.000 -0.202) 5.316 8.325 ( -2.767 0.000 0.955) 2.928 8.469 ( 2.010 0.000 -0.451) 2.060 9.013 ( 4.347 0.000 -20.297) 20.757 9.280 ( 7.570 0.000 6.514) 9.987 9.482 ( 2.489 0.000 2.274) 3.371 9.568 ( 0.904 0.000 -0.415) 0.995 9.852 ( -3.705 0.000 11.013) 11.620 10.239 ( 27.076 0.000 31.329) 41.408 10.928 ( 10.085 0.000 6.225) 11.851 17.560 ( -1.203 0.000 -1.516) 1.935 17.589 ( -0.554 0.000 0.279) 0.620 17.682 ( 0.264 0.000 0.154) 0.305 17.711 ( 0.066 0.000 -0.132) 0.148 17.967 ( 0.416 0.000 1.191) 1.262 17.984 ( -0.456 0.000 0.378) 0.592 18.021 ( 0.246 0.000 0.006) 0.246 18.028 ( -0.076 0.000 -0.407) 0.414 30.333 ( 0.663 0.000 -1.542) 1.679 30.343 ( -1.715 0.000 0.702) 1.853 30.401 ( -1.279 0.000 0.550) 1.392 30.416 ( 1.529 0.000 -0.237) 1.547 49.153 ( -6.324 0.000 3.840) 7.398 49.229 ( -4.806 0.000 -4.176) 6.367 49.591 ( -1.138 0.000 1.661) 2.014 50.023 ( -39.408 0.000 -64.793) 75.837 ======================= Grid point 72 (30/128) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -5.066 23.721 18.633) 30.586 1.042 ( 8.483 28.299 21.535) 36.559 1.693 ( 1.827 36.409 44.107) 57.222 2.965 ( -1.537 -7.376 0.660) 7.563 3.051 ( -4.451 -11.569 -4.458) 13.173 3.226 ( -1.344 -10.925 -0.685) 11.029 3.437 ( 4.415 1.554 -10.196) 11.219 3.652 ( 0.313 -6.177 -2.039) 6.512 3.785 ( -4.036 -1.542 -6.446) 7.760 3.835 ( 1.011 -4.317 -1.346) 4.633 3.980 ( -6.408 -1.364 -3.906) 7.628 4.149 ( -1.720 1.224 8.554) 8.811 4.312 ( 0.520 5.044 2.531) 5.668 4.335 ( -2.010 3.753 0.021) 4.257 4.494 ( 2.960 3.629 2.186) 5.168 4.674 ( -6.393 2.792 -0.817) 7.024 4.892 ( 10.458 -3.103 3.371) 11.418 5.000 ( -1.071 2.274 7.013) 7.449 5.030 ( -0.830 0.362 4.491) 4.582 5.140 ( -1.069 1.209 3.012) 3.417 5.182 ( -3.755 -0.402 3.952) 5.467 5.273 ( 6.813 -0.912 0.223) 6.877 5.407 ( -2.402 -4.184 4.985) 6.937 5.542 ( 0.930 -7.052 -4.312) 8.318 5.701 ( 1.056 -3.465 -1.604) 3.961 5.824 ( -3.633 -4.151 2.140) 5.917 6.002 ( 6.512 -1.010 7.029) 9.635 6.234 ( 3.565 -1.819 -6.262) 7.432 6.275 ( 0.023 -4.525 -14.817) 15.492 6.435 ( -5.858 -6.394 -4.247) 9.656 6.449 ( -2.904 3.290 -8.647) 9.697 6.607 ( 5.998 2.450 -9.240) 11.286 6.777 ( 3.631 -2.321 1.766) 4.657 6.838 ( -0.968 3.253 -1.898) 3.888 6.997 ( 5.422 4.612 -1.645) 7.305 7.042 ( -7.618 5.165 -1.648) 9.350 7.079 ( -5.033 13.742 -0.095) 14.635 7.232 ( -2.609 7.781 -5.672) 9.976 7.359 ( 3.136 -1.235 2.833) 4.403 7.396 ( 8.134 7.482 -1.417) 11.142 7.561 ( -1.094 -2.212 3.653) 4.408 7.691 ( -0.987 -1.517 1.570) 2.395 7.766 ( 5.851 0.793 0.046) 5.905 7.991 ( -7.335 4.807 -4.264) 9.751 8.174 ( -3.007 -1.848 -6.138) 7.081 8.211 ( -0.873 4.269 3.608) 5.658 8.312 ( -0.195 -0.270 -2.977) 2.996 8.339 ( -0.735 0.269 5.046) 5.106 8.553 ( 1.991 1.549 5.681) 6.216 8.859 ( -0.308 -6.549 -10.907) 12.726 9.068 ( 2.521 -13.689 13.085) 19.104 9.460 ( 1.601 -7.041 2.657) 7.694 9.626 ( 1.742 1.270 4.076) 4.611 9.853 ( -2.343 -2.343 15.703) 16.049 10.645 ( -5.665 1.533 -5.550) 8.078 10.991 ( -8.843 -5.168 -1.723) 10.386 17.564 ( 1.167 0.352 0.550) 1.337 17.592 ( -0.359 1.089 -0.186) 1.162 17.687 ( 0.330 -0.785 -0.147) 0.864 17.712 ( -0.014 -0.087 -0.284) 0.297 17.955 ( -0.992 -0.096 0.843) 1.305 17.979 ( -0.063 -0.164 0.369) 0.409 18.021 ( -0.100 0.070 -0.248) 0.276 18.029 ( 0.282 -0.062 -0.125) 0.315 30.314 ( -0.836 -0.274 -0.312) 0.933 30.351 ( 0.161 -0.217 -0.670) 0.723 30.388 ( 1.547 0.518 0.845) 1.837 30.443 ( 0.635 0.717 0.102) 0.963 49.156 ( -7.385 1.391 -2.828) 8.029 49.199 ( 3.406 -0.135 -1.108) 3.584 49.590 ( -0.358 3.575 -1.786) 4.012 49.725 ( 25.841 14.767 -16.972) 34.262 ======================= Grid point 73 (31/128) ======================= q-point: ( 0.11 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 21.753 3.306 24.664) 33.052 1.421 ( 6.994 15.280 32.952) 36.989 2.386 ( 32.488 32.172 30.749) 55.100 2.908 ( -1.720 -6.352 -8.166) 10.488 2.953 ( -0.925 -10.923 -0.577) 10.977 3.164 ( -1.448 -7.336 -6.431) 9.863 3.486 ( 0.460 -1.177 -3.373) 3.601 3.655 ( -2.306 -7.536 -5.370) 9.537 3.707 ( 4.638 -5.766 -4.772) 8.805 3.721 ( -5.840 -4.262 0.791) 7.273 3.916 ( 1.254 -2.861 -2.192) 3.816 4.197 ( -1.767 9.321 -0.718) 9.514 4.262 ( -1.171 0.627 3.119) 3.390 4.440 ( 7.621 0.990 6.038) 9.773 4.511 ( -4.479 8.704 1.490) 9.902 4.637 ( 1.846 -1.714 1.653) 3.013 4.913 ( -5.160 -3.148 0.379) 6.057 5.014 ( -5.379 -3.312 2.913) 6.956 5.039 ( -0.563 0.784 -3.629) 3.755 5.103 ( 1.132 1.867 3.406) 4.046 5.281 ( 6.500 5.287 4.189) 9.367 5.396 ( -0.169 0.004 6.587) 6.590 5.484 ( 6.572 -3.924 -0.841) 7.700 5.597 ( 5.074 -2.344 2.987) 6.338 5.754 ( -1.365 -6.128 0.505) 6.299 5.804 ( 5.107 -6.291 3.347) 8.767 6.050 ( -7.712 -0.057 -5.777) 9.636 6.177 ( -3.345 1.290 -3.058) 4.712 6.195 ( 3.881 -0.909 -14.907) 15.431 6.316 ( 1.626 -0.335 -1.489) 2.230 6.421 ( 4.017 -3.704 -4.343) 6.980 6.549 ( 0.125 3.310 -12.125) 12.569 6.759 ( -2.524 4.040 -4.324) 6.433 6.851 ( 1.312 -1.141 -4.098) 4.452 6.918 ( -2.088 6.750 -0.340) 7.074 7.017 ( -2.845 6.130 1.388) 6.900 7.078 ( -2.842 7.837 -2.402) 8.676 7.143 ( 1.531 4.962 2.668) 5.838 7.399 ( -1.444 0.564 4.060) 4.346 7.473 ( 0.813 3.750 0.459) 3.864 7.563 ( -1.755 -3.113 3.436) 4.957 7.690 ( -1.452 -8.422 5.025) 9.914 7.840 ( -1.440 4.197 5.135) 6.787 7.960 ( 4.941 -2.532 -8.062) 9.789 8.070 ( -2.946 -4.254 -2.890) 5.927 8.229 ( 1.696 -1.384 -3.105) 3.799 8.262 ( -1.549 3.523 -3.262) 5.045 8.378 ( -0.098 4.561 5.844) 7.413 8.600 ( -1.009 4.008 4.440) 6.066 8.753 ( -0.532 -4.228 -12.849) 13.537 9.190 ( 0.333 -13.632 8.405) 16.019 9.462 ( -1.239 -7.116 -0.188) 7.225 9.698 ( 0.718 0.780 6.443) 6.529 9.925 ( -4.445 -0.416 19.079) 19.595 10.258 ( -23.997 9.893 -3.050) 26.135 10.725 ( -12.342 -4.351 -4.318) 13.780 17.583 ( -0.042 0.738 -0.365) 0.825 17.596 ( 1.133 -0.171 0.336) 1.194 17.689 ( -0.181 -0.183 0.161) 0.304 17.709 ( -0.125 -0.307 -0.226) 0.401 17.945 ( -0.433 0.303 0.530) 0.748 17.983 ( 0.098 -0.261 0.361) 0.456 18.019 ( -0.027 0.135 -0.133) 0.191 18.033 ( 0.211 -0.083 -0.113) 0.253 30.302 ( -0.073 -0.817 -0.592) 1.011 30.347 ( -0.268 -1.164 -0.455) 1.278 30.442 ( 2.064 2.054 0.353) 2.933 30.461 ( 1.941 3.495 -0.624) 4.046 49.054 ( -1.244 1.946 -2.247) 3.222 49.288 ( 5.819 -2.929 -1.023) 6.594 49.564 ( 2.307 6.312 -2.438) 7.149 50.259 ( 28.576 -8.954 -16.939) 34.405 ======================= Grid point 74 (32/128) ======================= q-point: ( 0.22 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 8.339 7.864 31.876) 33.874 1.903 ( 24.765 -2.799 20.458) 32.244 2.854 ( 2.432 -7.295 -6.680) 10.186 2.936 ( 0.430 -11.052 -2.544) 11.349 3.049 ( 0.779 -2.121 -6.668) 7.041 3.224 ( 20.814 15.108 11.337) 28.107 3.332 ( -5.722 -6.827 -7.095) 11.388 3.565 ( -0.439 -1.741 6.740) 6.975 3.780 ( 3.254 -6.224 -2.700) 7.524 3.845 ( 0.192 -4.542 5.514) 7.147 3.907 ( 8.021 0.173 -5.255) 9.590 4.160 ( 3.757 10.318 5.348) 12.213 4.322 ( -2.667 5.453 2.469) 6.554 4.359 ( -2.553 10.200 0.426) 10.524 4.582 ( -2.512 0.744 -3.522) 4.389 4.718 ( 2.287 -1.516 2.169) 3.498 4.817 ( 2.494 -2.125 1.439) 3.579 4.925 ( -4.817 -5.848 2.185) 7.885 5.109 ( 7.723 -2.552 -2.025) 8.382 5.138 ( 0.489 6.292 5.095) 8.111 5.340 ( -0.413 4.883 0.618) 4.939 5.431 ( -4.366 -0.299 -5.468) 7.004 5.481 ( 2.606 2.322 5.460) 6.480 5.696 ( -4.388 0.103 1.994) 4.821 5.783 ( 2.750 -3.229 5.756) 7.150 5.862 ( -3.454 -3.837 -2.703) 5.828 5.954 ( 4.818 -4.832 5.897) 9.019 6.025 ( -2.790 1.153 -13.463) 13.797 6.137 ( 2.733 -2.739 -14.236) 14.752 6.376 ( 2.441 2.105 -10.494) 10.977 6.505 ( 5.449 -0.099 -5.351) 7.638 6.583 ( 8.394 5.891 5.008) 11.412 6.694 ( -3.525 4.401 -4.752) 7.374 6.786 ( -2.035 4.735 -3.035) 5.981 6.907 ( 4.834 0.498 -4.310) 6.496 6.994 ( 0.217 1.237 -1.299) 1.807 7.027 ( -4.047 3.977 9.715) 11.251 7.163 ( -3.386 1.979 5.546) 6.793 7.360 ( -3.944 3.912 0.206) 5.558 7.486 ( -2.384 0.600 4.637) 5.249 7.544 ( -2.667 -4.952 2.937) 6.345 7.678 ( -4.185 -11.842 3.691) 13.090 7.779 ( -9.487 -2.826 -5.683) 11.415 7.884 ( -2.905 4.402 5.764) 7.813 8.108 ( 5.825 -3.472 -4.509) 8.143 8.207 ( -1.466 2.018 -2.914) 3.836 8.225 ( 1.467 -3.096 -6.378) 7.240 8.398 ( -0.935 3.667 1.523) 4.079 8.589 ( -3.212 4.663 2.774) 6.305 8.690 ( 4.036 -1.386 -9.289) 10.223 9.191 ( -5.081 -12.910 4.166) 14.486 9.438 ( -0.636 -6.894 -0.387) 6.934 9.730 ( -3.134 1.871 4.432) 5.742 9.837 ( -15.003 9.325 -0.912) 17.688 9.955 ( -7.387 0.304 18.886) 20.282 10.441 ( -12.470 -5.779 -5.475) 14.795 17.581 ( 0.196 0.661 -0.485) 0.843 17.620 ( 0.973 -0.207 0.443) 1.089 17.684 ( -0.374 0.127 0.177) 0.433 17.704 ( -0.237 -0.361 -0.245) 0.496 17.945 ( -0.025 0.283 0.500) 0.575 17.986 ( 0.005 -0.348 0.225) 0.415 18.018 ( 0.012 0.191 -0.050) 0.198 18.035 ( 0.100 -0.025 -0.068) 0.123 30.299 ( 0.167 -1.646 -0.516) 1.733 30.338 ( -0.322 -1.644 0.041) 1.676 30.459 ( 0.358 4.007 -0.379) 4.041 30.506 ( 2.325 4.649 -0.958) 5.286 49.046 ( 1.838 1.095 -2.285) 3.130 49.360 ( 3.198 -5.439 -2.216) 6.687 49.696 ( 11.268 7.709 -0.176) 13.654 50.523 ( 11.906 -8.966 -12.952) 19.746 ======================= Grid point 75 (33/128) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 8.774 3.416 27.006) 28.600 2.448 ( 16.026 -1.013 11.758) 19.903 2.782 ( -6.663 -5.016 -0.592) 8.361 2.967 ( 3.192 -10.475 -2.584) 11.251 3.023 ( 3.141 -3.860 -3.082) 5.854 3.195 ( 0.668 4.919 -3.288) 5.955 3.468 ( 1.844 -4.884 1.999) 5.590 3.608 ( -2.074 -0.866 -4.039) 4.622 3.800 ( -1.227 -3.111 4.234) 5.396 3.824 ( 3.287 -0.429 2.006) 3.875 4.016 ( -4.249 2.171 0.251) 4.778 4.175 ( -4.426 5.996 -0.436) 7.465 4.327 ( -1.095 4.034 3.954) 5.753 4.467 ( 3.445 0.062 -6.201) 7.094 4.576 ( -1.783 -1.669 -0.768) 2.561 4.763 ( 17.310 8.100 11.560) 22.336 4.922 ( 1.825 -0.913 3.922) 4.421 4.973 ( 6.428 2.820 6.895) 9.839 5.222 ( 3.339 1.915 2.279) 4.473 5.232 ( 1.289 -0.215 0.466) 1.388 5.346 ( 5.494 2.194 -1.607) 6.130 5.367 ( 3.509 2.694 -2.471) 5.068 5.481 ( -7.063 4.507 8.742) 12.109 5.673 ( 1.453 -1.268 1.175) 2.258 5.820 ( 0.089 -2.202 -1.241) 2.529 5.826 ( 1.431 -3.336 -1.750) 4.030 5.902 ( 1.675 3.163 -9.061) 9.742 6.057 ( 2.483 -5.964 -10.036) 11.936 6.154 ( 5.319 -2.415 -0.481) 5.861 6.316 ( -0.903 -1.092 -7.991) 8.116 6.510 ( 0.516 7.084 -8.766) 11.283 6.516 ( -6.918 5.332 -5.145) 10.137 6.686 ( 2.485 1.407 -2.802) 4.001 6.812 ( 1.642 3.239 0.940) 3.751 6.970 ( -1.433 -0.406 1.041) 1.817 7.034 ( -1.018 6.041 5.482) 8.221 7.048 ( 1.009 0.155 2.758) 2.941 7.165 ( -0.459 -0.272 6.950) 6.970 7.244 ( -13.473 4.177 0.807) 14.129 7.345 ( -5.657 -1.285 -6.936) 9.043 7.474 ( -4.347 0.901 1.842) 4.806 7.586 ( -3.736 -9.456 3.395) 10.719 7.630 ( -3.297 -6.461 2.709) 7.744 7.927 ( 0.833 3.859 6.654) 7.737 8.144 ( -1.689 -3.015 -6.030) 6.950 8.160 ( 1.105 3.706 -0.940) 3.980 8.216 ( 2.686 -5.942 -4.284) 7.802 8.387 ( 0.171 1.123 -0.295) 1.174 8.541 ( -3.042 2.846 1.956) 4.602 8.740 ( 6.823 -0.608 -8.570) 10.971 9.074 ( -7.978 -11.182 1.297) 13.797 9.428 ( -0.464 -6.802 -0.291) 6.824 9.578 ( -7.078 5.912 -0.478) 9.235 9.722 ( -4.812 3.814 2.456) 6.613 9.940 ( -7.246 -0.845 15.764) 17.371 10.188 ( -8.815 -5.633 -3.852) 11.148 17.584 ( 0.425 0.509 -0.311) 0.732 17.641 ( 0.837 -0.384 0.472) 1.035 17.678 ( -0.286 0.210 0.019) 0.356 17.694 ( -0.515 -0.061 -0.322) 0.610 17.950 ( 0.089 0.169 0.559) 0.591 17.986 ( -0.116 -0.408 0.162) 0.454 18.018 ( 0.024 0.273 -0.065) 0.282 18.036 ( -0.002 0.079 -0.003) 0.079 30.302 ( 0.429 -2.039 -0.031) 2.084 30.335 ( -0.211 -1.849 0.308) 1.886 30.459 ( 0.305 4.877 -0.792) 4.951 30.527 ( 0.720 4.846 -1.014) 5.003 49.083 ( 2.924 0.845 -0.286) 3.058 49.412 ( 3.287 -5.393 -0.422) 6.330 49.929 ( 11.333 5.928 -0.589) 12.803 50.584 ( 4.265 -5.698 -9.839) 12.143 ======================= Grid point 76 (34/128) ======================= q-point: ( 0.44 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -7.707 -0.418 5.913) 9.723 2.584 ( 0.952 -4.557 15.574) 16.255 2.746 ( -1.730 2.755 4.951) 5.924 3.019 ( 1.930 -8.028 2.792) 8.716 3.031 ( 1.566 -1.155 -0.453) 1.998 3.280 ( 5.147 6.405 -1.390) 8.334 3.496 ( 0.371 -3.289 2.554) 4.180 3.627 ( 3.262 -1.308 1.571) 3.850 3.773 ( 1.548 -4.426 1.647) 4.969 3.851 ( -4.905 2.448 -0.153) 5.484 3.919 ( 0.057 1.982 1.254) 2.346 4.113 ( -0.048 2.898 -0.016) 2.899 4.303 ( -3.709 2.248 1.270) 4.519 4.519 ( 4.356 -4.652 8.823) 10.883 4.623 ( 6.054 -1.958 0.316) 6.370 4.850 ( -5.115 -0.136 4.155) 6.592 4.988 ( 0.139 2.011 3.512) 4.049 5.181 ( -5.626 10.428 7.057) 13.791 5.222 ( -2.548 -7.046 0.140) 7.494 5.295 ( 2.650 5.643 -1.434) 6.397 5.357 ( 4.098 2.991 -0.132) 5.075 5.492 ( 4.120 0.983 -3.200) 5.308 5.586 ( -0.288 -0.702 -1.441) 1.629 5.729 ( -0.347 -0.491 3.157) 3.214 5.773 ( 5.272 -0.616 2.337) 5.800 5.816 ( -5.287 -1.472 -2.328) 5.962 6.026 ( 13.083 2.013 -3.323) 13.648 6.056 ( 9.986 -0.897 -9.465) 13.788 6.181 ( 4.257 -1.238 -8.288) 9.399 6.215 ( -4.366 1.075 -10.174) 11.124 6.346 ( -2.569 3.535 -6.718) 8.014 6.496 ( 0.986 5.572 3.118) 6.460 6.686 ( -10.507 5.228 -3.375) 12.211 6.758 ( 0.325 -1.816 -1.234) 2.219 6.847 ( -0.936 1.133 4.482) 4.716 6.982 ( -3.779 6.773 -0.332) 7.763 7.029 ( -1.129 -2.390 -0.926) 2.800 7.149 ( -5.419 -2.939 2.889) 6.808 7.188 ( 3.958 6.432 2.176) 7.859 7.273 ( -1.869 -3.280 -2.069) 4.305 7.437 ( 0.043 4.074 -0.199) 4.079 7.554 ( -1.736 -6.526 0.488) 6.771 7.629 ( -2.483 -2.639 7.402) 8.242 7.957 ( -3.073 1.052 -2.392) 4.034 8.061 ( -1.975 -2.075 1.125) 3.078 8.187 ( 0.648 3.287 2.968) 4.476 8.263 ( 4.721 -1.226 -2.449) 5.458 8.415 ( 1.575 -5.235 3.170) 6.319 8.515 ( -0.133 1.907 1.745) 2.588 8.807 ( 7.187 -1.670 -10.239) 12.621 8.941 ( -4.800 -9.754 -1.404) 10.962 9.392 ( -3.759 -7.288 -0.691) 8.229 9.493 ( -2.090 5.149 0.719) 5.603 9.635 ( -3.530 4.257 -1.257) 5.672 9.918 ( -5.745 -2.573 11.459) 13.074 10.067 ( -1.419 -4.860 -0.397) 5.078 17.592 ( 0.438 0.367 0.051) 0.574 17.653 ( -0.132 -0.798 0.069) 0.812 17.677 ( 0.341 0.254 -0.165) 0.456 17.681 ( -0.446 0.439 -0.105) 0.635 17.955 ( -0.099 0.097 0.498) 0.517 17.986 ( -0.029 -0.429 0.296) 0.522 18.018 ( 0.011 0.343 -0.104) 0.359 18.035 ( -0.033 0.125 0.008) 0.129 30.315 ( 0.609 -2.183 0.476) 2.316 30.330 ( -0.624 -1.895 0.340) 2.024 30.461 ( 0.549 5.033 -0.861) 5.136 30.529 ( 0.359 5.121 -0.722) 5.184 49.152 ( 2.662 0.617 3.480) 4.425 49.469 ( 1.630 -5.562 1.711) 6.043 50.075 ( 3.841 4.942 -3.304) 7.077 50.581 ( 3.321 -4.056 -7.718) 9.330 ======================= Grid point 77 (35/128) ======================= q-point: (-0.44 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -22.127 1.571 7.008) 23.264 2.546 ( -19.209 -2.266 -4.474) 19.852 2.744 ( 3.241 -9.443 7.071) 12.234 3.056 ( 1.422 -5.756 6.896) 9.094 3.187 ( 5.503 -3.499 8.709) 10.880 3.310 ( 1.862 2.178 -3.452) 4.486 3.483 ( -8.646 -1.041 7.327) 11.381 3.634 ( 5.470 2.651 0.281) 6.085 3.729 ( -4.545 -2.781 -1.533) 5.545 3.948 ( 1.453 -2.171 6.577) 7.077 4.125 ( 18.564 0.899 6.107) 19.564 4.186 ( 6.267 7.259 3.509) 10.212 4.283 ( -0.381 -0.810 4.469) 4.558 4.669 ( 0.971 -1.129 6.794) 6.955 4.687 ( -3.321 3.334 5.826) 7.489 4.836 ( 0.860 0.551 1.689) 1.974 4.943 ( -10.580 7.698 0.100) 13.085 5.031 ( -13.237 -1.099 1.727) 13.395 5.134 ( -2.608 -1.464 -4.530) 5.428 5.218 ( -15.075 1.941 -5.119) 16.039 5.298 ( -5.375 1.651 -2.089) 5.998 5.420 ( 0.325 -2.026 -4.440) 4.892 5.522 ( -2.940 5.605 1.768) 6.571 5.605 ( -2.104 3.586 -4.544) 6.159 5.684 ( -1.364 3.052 -1.436) 3.638 5.809 ( -2.369 -2.596 -1.641) 3.879 6.023 ( -3.006 0.758 -4.970) 5.858 6.226 ( 6.321 -6.351 -3.749) 9.713 6.286 ( 9.496 2.034 -2.401) 10.004 6.314 ( 6.864 -1.636 -3.721) 7.977 6.400 ( 10.171 -0.317 1.040) 10.229 6.561 ( 5.125 3.479 -4.853) 7.869 6.654 ( 3.352 6.332 -1.732) 7.371 6.732 ( 0.374 -1.934 0.290) 1.991 6.880 ( -4.696 7.435 -0.314) 8.799 6.943 ( 4.095 -4.920 2.166) 6.758 7.001 ( -1.853 -0.117 -2.719) 3.292 7.112 ( 4.320 -2.476 2.431) 5.541 7.198 ( -1.557 2.802 1.100) 3.389 7.280 ( 2.394 -3.125 -2.621) 4.729 7.495 ( -1.266 2.184 -3.279) 4.138 7.505 ( 4.613 4.313 -1.060) 6.404 7.627 ( -3.501 -0.790 9.761) 10.400 7.824 ( -5.915 -0.590 -0.823) 6.001 8.034 ( -1.477 1.973 -0.384) 2.494 8.234 ( 1.471 0.271 0.866) 1.728 8.315 ( 1.260 2.315 -0.274) 2.650 8.489 ( 2.426 -9.266 6.173) 11.395 8.581 ( 1.856 0.791 5.767) 6.109 8.848 ( 3.399 -1.917 -8.299) 9.170 8.915 ( 5.735 -9.551 -3.143) 11.575 9.262 ( -6.343 -3.934 -5.210) 9.102 9.495 ( 1.506 5.609 0.773) 5.859 9.590 ( 0.143 2.637 -1.552) 3.063 9.887 ( -4.922 -3.401 7.966) 9.962 10.134 ( 7.011 -5.570 2.678) 9.346 17.600 ( 0.191 0.297 0.481) 0.597 17.639 ( -0.860 -0.437 -0.584) 1.128 17.671 ( -0.184 0.423 -0.175) 0.493 17.691 ( 0.661 -0.042 0.088) 0.668 17.954 ( -0.290 0.175 0.492) 0.598 17.990 ( 0.028 -0.421 0.413) 0.590 18.017 ( -0.014 0.335 -0.134) 0.361 18.035 ( -0.001 0.053 -0.028) 0.061 30.319 ( -0.613 -1.621 0.381) 1.775 30.327 ( 0.125 -2.394 0.548) 2.459 30.470 ( 0.894 5.154 -0.356) 5.243 30.531 ( 0.263 5.333 -0.957) 5.424 49.230 ( 0.756 0.136 7.335) 7.375 49.491 ( -1.037 -5.529 2.448) 6.135 50.012 ( -5.821 5.707 -6.146) 10.209 50.611 ( 4.944 -5.349 -7.136) 10.197 ======================= Grid point 78 (36/128) ======================= q-point: (-0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -26.007 3.950 9.918) 28.113 2.007 ( -29.510 -1.500 -5.137) 29.991 2.849 ( 4.302 -17.247 1.716) 17.858 3.102 ( -1.810 -4.753 4.406) 6.729 3.228 ( -7.224 -6.399 2.507) 9.971 3.381 ( 5.052 -8.155 4.619) 10.647 3.441 ( -3.965 1.263 6.498) 7.716 3.595 ( -8.856 8.039 0.459) 11.969 3.748 ( 0.573 1.790 2.229) 2.916 4.069 ( 5.974 -3.742 7.497) 10.291 4.227 ( -6.500 2.835 -1.026) 7.165 4.284 ( -14.689 1.705 1.366) 14.851 4.311 ( -4.388 8.727 -2.334) 10.043 4.512 ( -0.676 13.828 13.256) 19.168 4.638 ( -0.072 -3.057 1.368) 3.350 4.725 ( 2.957 -0.299 2.012) 3.589 4.872 ( -3.965 2.388 1.038) 4.744 4.967 ( 0.636 -8.755 7.700) 11.677 4.973 ( -12.783 2.915 -8.181) 15.454 5.088 ( -1.987 7.304 -0.820) 7.613 5.251 ( 2.700 -0.325 -2.378) 3.613 5.385 ( 3.632 -1.561 -7.422) 8.409 5.514 ( 0.054 4.362 1.658) 4.667 5.588 ( -0.403 0.609 5.274) 5.325 5.687 ( 1.759 0.792 -2.862) 3.452 5.726 ( -2.808 1.724 1.088) 3.470 5.984 ( 0.781 -6.120 -2.512) 6.662 6.290 ( -0.758 3.342 -5.741) 6.686 6.326 ( 0.018 -6.681 0.830) 6.732 6.428 ( 1.436 0.411 -4.713) 4.944 6.539 ( 6.971 3.759 -0.165) 7.921 6.610 ( 6.153 5.381 -2.443) 8.531 6.685 ( 0.625 -2.254 -1.416) 2.734 6.762 ( 1.519 -0.989 -3.987) 4.380 6.818 ( 0.355 3.931 -0.687) 4.007 6.899 ( 1.533 -2.815 -5.336) 6.225 7.027 ( -0.476 -3.707 2.288) 4.382 7.189 ( 0.824 -3.638 -4.091) 5.536 7.251 ( 1.772 2.230 -3.957) 4.875 7.294 ( 4.648 -0.058 0.752) 4.708 7.552 ( 7.312 10.827 -4.632) 13.862 7.558 ( -0.317 -0.171 9.007) 9.015 7.655 ( 0.482 -3.395 4.334) 5.526 7.787 ( 3.529 2.170 -0.049) 4.143 8.047 ( 1.572 6.353 5.645) 8.643 8.240 ( 0.321 -0.580 -1.954) 2.063 8.324 ( 0.158 1.705 0.089) 1.715 8.532 ( -3.544 -5.670 2.757) 7.232 8.652 ( 0.782 -7.606 4.351) 8.797 8.845 ( 2.494 3.169 -3.699) 5.472 9.042 ( 3.498 -12.455 2.320) 13.143 9.125 ( 1.610 -2.547 -12.037) 12.408 9.546 ( 2.205 3.330 -0.207) 3.999 9.644 ( 6.639 5.624 1.775) 8.879 9.861 ( -2.504 -1.864 6.712) 7.402 10.353 ( 11.933 -6.367 4.084) 14.128 17.605 ( -0.265 0.356 0.649) 0.786 17.616 ( -0.857 -0.003 -0.688) 1.099 17.669 ( 0.148 0.138 -0.294) 0.357 17.702 ( 0.423 -0.247 -0.004) 0.490 17.953 ( -0.261 0.252 0.676) 0.767 17.991 ( -0.171 -0.341 0.382) 0.540 18.016 ( 0.049 0.259 -0.127) 0.293 18.034 ( -0.011 -0.063 -0.125) 0.140 30.319 ( 0.512 -1.094 0.288) 1.242 30.329 ( -0.234 -2.206 0.560) 2.288 30.480 ( -0.280 4.489 0.034) 4.498 30.517 ( -0.543 5.504 -1.890) 5.844 49.271 ( -3.428 -0.640 8.719) 9.390 49.474 ( -2.239 -5.233 1.871) 5.991 49.807 ( -8.929 7.456 -5.937) 13.060 50.626 ( 2.572 -8.819 -10.826) 14.198 ======================= Grid point 79 (37/128) ======================= q-point: (-0.22 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -30.954 -1.278 -0.758) 30.989 1.474 ( -26.372 13.772 15.838) 33.705 2.709 ( -42.133 21.178 -5.095) 47.430 2.941 ( 0.714 -17.375 0.992) 17.418 3.123 ( -4.434 -5.700 4.106) 8.307 3.184 ( -2.576 -0.999 3.220) 4.243 3.533 ( 2.454 -22.319 2.290) 22.570 3.585 ( 3.061 4.055 -1.744) 5.372 3.828 ( 4.419 1.126 11.434) 12.310 4.076 ( -1.803 4.844 3.178) 6.067 4.129 ( -8.652 -3.525 -1.057) 9.402 4.218 ( 1.911 3.021 0.721) 3.646 4.371 ( 0.164 1.350 7.554) 7.675 4.455 ( -4.865 3.593 4.799) 7.721 4.527 ( -14.120 6.452 -6.880) 16.981 4.621 ( -7.165 0.051 -1.158) 7.258 4.814 ( 3.713 -2.226 3.939) 5.853 4.924 ( 5.258 1.386 -2.763) 6.099 5.019 ( -2.805 -3.559 9.238) 10.290 5.087 ( 0.428 5.976 -1.003) 6.074 5.206 ( -2.884 2.509 -3.559) 5.223 5.440 ( -5.529 0.027 -6.420) 8.472 5.518 ( 7.435 2.267 0.718) 7.807 5.651 ( 3.412 4.695 6.015) 8.358 5.720 ( -1.570 -9.235 -2.463) 9.686 5.751 ( 1.624 -1.905 1.357) 2.848 5.966 ( 0.298 -11.512 -1.460) 11.608 6.137 ( -2.866 5.946 -4.738) 8.126 6.339 ( -0.723 1.972 5.331) 5.730 6.404 ( 0.053 -4.191 -4.601) 6.224 6.547 ( -3.179 -1.839 -4.949) 6.163 6.663 ( 2.361 0.152 -7.349) 7.721 6.758 ( 2.355 -2.597 0.740) 3.583 6.804 ( 6.237 3.707 -1.615) 7.433 6.846 ( 5.861 3.493 -3.290) 7.575 6.993 ( 9.604 -2.027 -2.857) 10.223 7.022 ( -0.437 3.894 0.304) 3.930 7.184 ( 1.915 -0.107 -2.458) 3.118 7.259 ( 3.129 4.602 -6.066) 8.232 7.397 ( 1.553 3.171 6.559) 7.448 7.508 ( -2.351 3.593 -2.377) 4.908 7.613 ( -2.892 -4.171 7.996) 9.471 7.743 ( 6.188 8.598 -10.015) 14.578 7.955 ( 8.878 0.902 8.431) 12.276 8.158 ( 2.974 2.189 8.755) 9.502 8.248 ( 1.562 -0.646 -0.466) 1.754 8.333 ( -0.130 1.354 1.917) 2.350 8.438 ( -4.748 -1.465 -4.054) 6.413 8.571 ( -6.430 -2.192 -2.887) 7.382 8.926 ( 0.498 -11.181 6.717) 13.053 9.041 ( 5.102 -2.025 -17.925) 18.747 9.167 ( 3.146 -8.998 6.377) 11.469 9.573 ( 1.139 0.983 -0.416) 1.561 9.766 ( -0.055 -3.441 5.466) 6.459 10.022 ( 15.149 12.650 9.179) 21.766 10.628 ( 12.264 -5.635 3.829) 14.029 17.589 ( -0.956 0.084 -0.859) 1.288 17.607 ( -0.426 0.814 0.588) 1.091 17.672 ( 0.363 -0.346 -0.315) 0.592 17.708 ( 0.239 -0.235 -0.052) 0.339 17.955 ( -0.152 0.157 0.928) 0.954 17.988 ( -0.416 -0.237 0.346) 0.591 18.017 ( 0.195 0.156 -0.065) 0.258 18.032 ( -0.079 -0.097 -0.269) 0.296 30.326 ( 0.188 -0.806 -0.273) 0.872 30.346 ( 1.111 -1.034 1.119) 1.886 30.446 ( -2.270 3.134 -1.609) 4.191 30.487 ( -1.383 4.344 -1.376) 4.762 49.224 ( -6.154 -0.934 5.210) 8.117 49.404 ( -6.269 -2.050 -0.571) 6.621 49.647 ( -3.377 5.978 -1.054) 6.947 50.499 ( -4.939 -12.251 -21.175) 24.957 ======================= Grid point 80 (38/128) ======================= q-point: (-0.11 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -12.716 17.230 11.671) 24.388 1.161 ( -21.152 22.992 19.146) 36.642 1.855 ( -40.401 35.962 15.813) 56.352 2.961 ( 0.534 -10.454 1.196) 10.536 3.109 ( -0.862 -10.324 1.542) 10.474 3.207 ( 0.501 -8.469 4.315) 9.517 3.489 ( 0.294 -6.421 -9.617) 11.567 3.701 ( 5.329 -6.889 2.050) 8.947 3.809 ( -10.520 -3.946 -7.602) 13.566 3.986 ( -5.500 3.840 1.325) 6.837 4.082 ( -3.163 3.887 3.075) 5.880 4.197 ( -7.135 -2.322 4.551) 8.776 4.261 ( 0.305 1.828 2.081) 2.787 4.360 ( -1.713 4.394 1.318) 4.897 4.490 ( -1.934 3.972 -2.662) 5.158 4.620 ( 6.502 -0.960 7.910) 10.284 4.881 ( -5.207 5.293 -3.778) 8.331 4.946 ( 1.554 2.271 2.845) 3.958 5.042 ( 3.522 -0.011 2.854) 4.534 5.063 ( -3.155 -6.340 2.321) 7.453 5.190 ( 0.859 2.719 3.484) 4.502 5.291 ( -4.852 -0.124 -4.344) 6.514 5.494 ( -9.921 -5.106 4.122) 11.895 5.619 ( -1.223 -4.469 -8.008) 9.252 5.715 ( -0.100 1.369 -0.683) 1.533 5.805 ( 3.931 -3.296 5.886) 7.808 5.913 ( -3.052 -4.629 -1.036) 5.641 6.218 ( 3.831 -5.013 -3.220) 7.083 6.378 ( 3.503 -7.252 -2.467) 8.423 6.429 ( -0.354 -2.032 -4.513) 4.962 6.466 ( 6.717 4.049 -0.592) 7.866 6.598 ( -1.980 -0.587 -8.290) 8.543 6.764 ( -0.609 -1.514 -6.020) 6.237 6.860 ( 2.618 4.200 -3.274) 5.934 6.924 ( 4.018 1.576 -3.145) 5.340 7.056 ( 2.702 10.712 1.647) 11.170 7.209 ( 6.367 7.126 0.007) 9.556 7.220 ( 5.561 0.167 2.698) 6.184 7.268 ( 0.262 4.266 -3.145) 5.306 7.325 ( -5.395 8.926 -4.210) 11.247 7.539 ( 1.405 -0.399 3.855) 4.123 7.636 ( -0.301 -4.630 9.161) 10.269 7.741 ( 2.987 8.469 -11.281) 14.419 8.142 ( 0.603 2.860 6.754) 7.359 8.232 ( -2.192 -0.540 -2.384) 3.283 8.286 ( 2.554 -1.442 -1.139) 3.147 8.305 ( -3.653 -0.037 -3.724) 5.217 8.323 ( -1.597 -0.054 1.663) 2.306 8.485 ( 0.475 0.837 -0.249) 0.994 8.913 ( -6.832 -17.219 12.186) 22.173 8.992 ( 3.666 -4.728 -12.262) 13.644 9.335 ( 6.484 -5.187 7.165) 10.968 9.589 ( 0.753 0.926 0.346) 1.243 9.796 ( -1.960 -4.379 10.019) 11.108 10.483 ( 20.573 9.711 7.075) 23.825 10.880 ( 11.088 -3.768 4.684) 12.613 17.563 ( -0.880 0.541 -0.639) 1.214 17.601 ( -0.482 1.106 0.249) 1.232 17.679 ( 0.554 -0.770 -0.236) 0.977 17.712 ( 0.192 -0.104 -0.119) 0.249 17.960 ( -0.247 -0.219 1.115) 1.163 17.982 ( -0.452 -0.177 0.333) 0.588 18.022 ( 0.238 0.058 -0.010) 0.245 18.028 ( -0.063 -0.048 -0.370) 0.378 30.329 ( -0.024 -0.027 -0.166) 0.170 30.361 ( -0.589 1.190 0.104) 1.332 30.395 ( -1.269 -0.382 -1.346) 1.889 30.444 ( -1.350 1.471 -0.620) 2.090 49.157 ( -1.580 0.744 1.317) 2.187 49.272 ( -5.174 1.158 -0.809) 5.363 49.610 ( -1.452 2.909 -0.826) 3.355 50.033 ( -20.169 -0.938 -34.027) 39.567 ======================= Grid point 81 (39/128) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.412 28.869 9.134) 30.282 1.706 ( -2.960 32.143 9.128) 33.545 2.471 ( 4.892 24.462 22.984) 33.920 2.655 ( 1.813 -10.869 8.377) 13.842 2.772 ( -5.790 -15.467 -0.271) 16.518 3.056 ( -1.704 -3.936 -1.132) 4.436 3.307 ( 4.948 -11.703 -1.520) 12.797 3.554 ( -3.737 -3.348 -2.329) 5.531 3.730 ( 1.211 -0.383 -9.786) 9.868 3.861 ( -4.150 3.818 -5.170) 7.650 3.938 ( -8.808 -2.785 -7.414) 11.846 4.152 ( -0.518 -3.016 10.296) 10.741 4.366 ( -1.473 -0.097 5.476) 5.671 4.460 ( 1.766 5.494 -1.619) 5.994 4.511 ( 1.844 -2.913 2.935) 4.528 4.674 ( 3.603 -2.860 0.678) 4.650 4.831 ( 0.359 -0.241 0.149) 0.458 4.941 ( -1.645 -3.183 0.743) 3.659 5.047 ( -0.320 -1.569 1.495) 2.191 5.115 ( 4.380 -5.968 2.663) 7.867 5.241 ( 1.352 2.409 8.734) 9.160 5.258 ( -5.093 5.021 -0.094) 7.153 5.333 ( -1.896 -1.434 2.502) 3.452 5.517 ( 3.214 2.328 -3.761) 5.468 5.634 ( -2.775 -1.001 1.032) 3.126 5.750 ( -1.650 -2.876 3.103) 4.541 5.990 ( 7.952 -0.054 6.886) 10.519 6.116 ( -0.387 -7.594 4.378) 8.774 6.208 ( 1.719 -1.279 -8.385) 8.655 6.337 ( -2.474 -4.196 -6.941) 8.479 6.486 ( 0.150 1.385 -4.717) 4.919 6.622 ( 5.788 -6.410 -1.614) 8.786 6.746 ( -0.668 6.271 -7.684) 9.941 6.910 ( -2.683 2.086 -2.600) 4.279 7.057 ( 0.285 2.296 5.199) 5.691 7.120 ( -2.637 0.013 -0.129) 2.640 7.309 ( -1.094 2.372 -0.107) 2.614 7.339 ( 1.179 3.092 -3.494) 4.812 7.394 ( -2.350 9.350 0.532) 9.655 7.535 ( 5.529 2.131 -2.215) 6.326 7.580 ( -1.793 6.309 0.389) 6.571 7.687 ( -0.004 1.249 2.115) 2.457 7.831 ( 0.852 4.016 -11.452) 12.166 8.043 ( -4.029 -2.135 -7.369) 8.666 8.103 ( -4.400 -1.546 -10.895) 11.851 8.204 ( -2.051 -3.954 -5.348) 6.960 8.350 ( 3.526 4.097 0.830) 5.469 8.400 ( 2.161 2.741 7.777) 8.524 8.565 ( 1.466 -0.193 10.302) 10.408 8.705 ( -1.557 -6.624 -0.896) 6.863 8.965 ( 2.748 1.559 2.272) 3.892 9.282 ( 0.298 -9.521 3.265) 10.070 9.656 ( 1.267 2.005 6.380) 6.807 9.790 ( 0.578 -3.413 12.765) 13.226 10.689 ( -3.522 2.825 -4.605) 6.449 10.879 ( -5.300 -5.508 -2.860) 8.161 17.583 ( 0.405 1.332 0.278) 1.420 17.621 ( -0.569 1.288 -0.540) 1.508 17.663 ( 0.599 -1.165 0.536) 1.415 17.699 ( -0.037 -1.115 -0.125) 1.123 17.958 ( -0.499 0.334 0.622) 0.865 17.974 ( -0.170 -0.301 0.377) 0.511 18.023 ( -0.009 0.077 -0.186) 0.202 18.027 ( 0.212 -0.098 -0.135) 0.270 30.312 ( -1.112 0.123 -0.763) 1.354 30.336 ( -0.739 -0.902 -1.027) 1.554 30.413 ( 2.404 1.486 1.172) 3.060 30.451 ( 1.507 -0.006 0.669) 1.649 49.173 ( -3.362 0.566 -1.849) 3.879 49.193 ( 1.852 -0.383 -1.291) 2.289 49.684 ( 0.337 5.122 -2.037) 5.523 49.849 ( 7.611 -0.183 -8.860) 11.682 ======================= Grid point 82 (40/128) ======================= q-point: ( 0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 6.862 22.931 11.438) 26.529 1.829 ( 1.087 21.775 24.189) 32.564 2.600 ( -1.546 -19.264 2.083) 19.437 2.674 ( -3.985 -16.446 1.422) 16.982 3.021 ( -0.690 -3.508 -2.078) 4.136 3.062 ( 21.305 20.848 15.799) 33.736 3.328 ( -1.539 -5.919 1.793) 6.373 3.500 ( 0.001 -3.436 -2.165) 4.061 3.640 ( 0.700 -0.473 -8.021) 8.066 3.769 ( 1.335 2.484 -3.969) 4.868 3.879 ( 3.417 0.622 -5.149) 6.211 4.224 ( 2.962 -5.140 5.655) 8.195 4.391 ( -2.985 9.160 -0.885) 9.674 4.490 ( 7.938 4.484 4.969) 10.383 4.598 ( 1.888 -0.794 1.727) 2.679 4.672 ( -1.426 4.855 -4.502) 6.773 4.859 ( -5.342 -1.887 2.978) 6.400 4.938 ( -6.680 -3.767 5.637) 9.518 4.979 ( 4.232 -5.715 -9.340) 11.739 5.214 ( 3.449 -3.588 8.117) 9.521 5.257 ( 5.727 0.476 3.413) 6.684 5.373 ( 4.730 -2.370 0.033) 5.291 5.418 ( 5.134 -0.734 7.442) 9.071 5.555 ( 2.118 -2.869 0.068) 3.567 5.670 ( 4.067 4.382 4.691) 7.599 5.773 ( 1.012 -0.155 3.443) 3.592 6.041 ( -5.363 -3.790 -3.958) 7.667 6.102 ( -3.072 -4.276 -1.008) 5.360 6.193 ( 2.397 -1.736 -4.552) 5.430 6.286 ( 0.357 1.987 -8.270) 8.513 6.417 ( 1.838 3.167 -6.009) 7.036 6.679 ( -0.121 2.478 -2.379) 3.437 6.750 ( 6.415 -3.030 -4.418) 8.357 6.837 ( -1.339 2.792 -3.807) 4.907 6.986 ( -4.685 2.326 1.029) 5.331 7.127 ( -3.962 -2.140 8.771) 9.860 7.247 ( -4.881 6.534 -1.148) 8.236 7.289 ( -2.775 11.155 -1.587) 11.604 7.408 ( 0.579 -0.658 3.231) 3.348 7.516 ( -4.101 3.308 1.095) 5.382 7.564 ( -1.966 -0.838 0.796) 2.281 7.633 ( -2.714 4.475 -4.516) 6.913 7.836 ( 3.566 -5.727 -5.438) 8.665 7.903 ( -5.991 -6.692 -8.020) 12.041 7.973 ( 0.681 1.640 -4.057) 4.428 8.143 ( 0.997 -5.210 -7.992) 9.592 8.380 ( 1.178 5.843 -4.224) 7.305 8.477 ( -1.186 3.694 8.121) 9.000 8.635 ( -0.604 -3.392 0.845) 3.547 8.664 ( -0.421 -1.502 1.190) 1.962 9.028 ( -0.220 -1.215 4.529) 4.695 9.281 ( -1.545 -9.194 1.063) 9.384 9.736 ( 0.092 2.927 9.518) 9.958 9.892 ( -2.055 -2.829 15.981) 16.359 10.419 ( -17.978 5.754 -6.442) 19.945 10.624 ( -14.038 -4.905 -5.454) 15.839 17.598 ( 0.574 0.760 0.306) 1.001 17.608 ( -0.138 0.902 -0.436) 1.011 17.677 ( 0.371 -0.610 0.541) 0.896 17.696 ( -0.117 -0.874 -0.214) 0.908 17.954 ( -0.304 0.493 0.429) 0.721 17.975 ( -0.019 -0.435 0.322) 0.542 18.022 ( 0.050 0.192 -0.102) 0.223 18.030 ( 0.199 -0.158 -0.080) 0.266 30.292 ( -0.468 -0.056 -0.871) 0.991 30.322 ( -0.428 -1.179 -0.783) 1.479 30.485 ( 3.276 1.940 0.743) 3.879 30.513 ( 4.253 1.223 0.060) 4.426 49.104 ( -1.485 2.727 -2.401) 3.925 49.226 ( 2.339 -2.920 -2.000) 4.242 49.716 ( 5.617 7.795 -1.887) 9.791 50.067 ( 16.699 -8.865 -6.924) 20.134 ======================= Grid point 83 (41/128) ======================= q-point: ( 0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 18.547 7.938 15.529) 25.459 2.071 ( 4.325 13.005 24.885) 28.409 2.607 ( 2.801 -17.705 0.114) 17.926 2.629 ( -2.814 -14.214 3.683) 14.951 2.993 ( -0.427 -1.291 -2.306) 2.677 3.196 ( -0.850 -6.714 -0.726) 6.806 3.440 ( 0.469 4.049 1.677) 4.408 3.580 ( 8.875 -0.308 -0.232) 8.884 3.703 ( 5.311 1.979 -0.373) 5.680 3.792 ( -2.441 -1.373 -0.935) 2.952 3.980 ( 11.899 7.479 -3.304) 14.437 4.351 ( 5.681 -4.410 -0.510) 7.209 4.365 ( -1.186 7.890 3.084) 8.554 4.537 ( -4.366 6.630 -5.985) 9.942 4.637 ( 1.925 -0.015 5.183) 5.529 4.742 ( 5.895 5.468 -2.315) 8.367 4.782 ( -4.830 -0.791 5.671) 7.491 4.817 ( 1.749 0.125 3.591) 3.996 5.033 ( 8.042 -3.114 -3.438) 9.284 5.309 ( 2.683 8.133 5.801) 10.344 5.414 ( -0.101 1.668 -1.399) 2.179 5.458 ( -2.202 3.041 2.707) 4.629 5.505 ( 10.044 -2.790 -0.389) 10.431 5.642 ( 1.366 -5.370 4.907) 7.401 5.763 ( 1.708 2.731 2.288) 3.951 5.810 ( -2.635 -0.297 2.225) 3.462 5.897 ( -4.650 -0.989 5.587) 7.336 5.991 ( -2.882 -4.078 -6.103) 7.886 6.171 ( 0.899 3.055 -15.116) 15.448 6.314 ( 12.107 -11.147 -3.006) 16.729 6.415 ( 1.973 2.112 -9.625) 10.050 6.691 ( -0.239 1.401 1.467) 2.043 6.784 ( 0.806 2.347 -7.711) 8.100 6.821 ( 2.144 1.850 0.632) 2.901 6.959 ( -1.549 1.509 1.950) 2.911 7.103 ( -4.584 3.842 5.438) 8.083 7.114 ( -6.600 4.257 9.123) 12.038 7.233 ( -3.409 6.656 2.026) 7.748 7.370 ( -8.665 -9.149 5.565) 13.775 7.442 ( -4.150 4.413 1.390) 6.215 7.537 ( -2.861 4.837 -6.499) 8.592 7.559 ( 0.300 -2.351 0.690) 2.468 7.704 ( -5.014 -3.391 -8.348) 10.312 7.900 ( 2.783 -9.426 -2.051) 10.040 7.993 ( 2.724 1.412 -1.184) 3.289 8.115 ( 2.671 -5.032 -9.395) 10.987 8.339 ( -1.307 6.560 -5.087) 8.404 8.462 ( -5.440 2.751 6.263) 8.740 8.611 ( 1.428 -3.296 -7.815) 8.601 8.678 ( -1.158 -0.969 5.532) 5.735 9.007 ( -4.727 -2.498 2.810) 6.039 9.257 ( -1.252 -9.262 0.410) 9.355 9.785 ( -2.520 3.468 8.286) 9.329 9.937 ( -5.638 -2.092 15.011) 16.171 10.019 ( -16.393 7.521 -3.272) 18.330 10.302 ( -13.709 -6.805 -5.557) 16.282 17.599 ( 0.011 0.915 -0.400) 0.998 17.618 ( 0.633 0.008 0.375) 0.736 17.683 ( -0.038 -0.135 0.204) 0.247 17.693 ( -0.011 -0.564 -0.127) 0.578 17.953 ( -0.081 0.488 0.384) 0.626 17.977 ( -0.066 -0.533 0.204) 0.575 18.023 ( 0.093 0.287 -0.016) 0.302 18.033 ( 0.163 -0.140 0.001) 0.215 30.279 ( -0.309 -0.235 -0.370) 0.536 30.309 ( -0.442 -1.215 -0.041) 1.293 30.541 ( 2.169 3.467 -0.580) 4.131 30.584 ( 3.046 2.207 -1.377) 4.006 49.085 ( 1.231 2.676 -2.077) 3.604 49.251 ( 2.130 -4.868 -1.968) 5.666 49.875 ( 10.816 9.131 -1.066) 14.195 50.304 ( 11.948 -10.992 -6.511) 17.492 ======================= Grid point 84 (42/128) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 5.781 5.731 19.973) 21.568 2.433 ( 14.314 0.034 9.594) 17.232 2.631 ( 0.968 -8.646 7.680) 11.605 2.720 ( 6.220 -11.342 3.449) 13.388 2.978 ( 1.156 1.022 -1.922) 2.464 3.208 ( 0.330 -6.177 1.969) 6.491 3.478 ( 3.353 8.978 2.404) 9.880 3.669 ( -1.227 3.320 -7.049) 7.888 3.713 ( 0.421 -3.950 2.720) 4.815 3.788 ( 3.427 -2.242 -0.228) 4.102 4.120 ( 4.217 6.855 -2.978) 8.581 4.227 ( -11.883 0.316 1.923) 12.042 4.375 ( -6.655 -2.465 0.343) 7.105 4.445 ( 5.091 -3.908 -7.141) 9.602 4.559 ( -7.601 3.056 -0.878) 8.239 4.794 ( 6.557 -4.642 -2.463) 8.403 4.867 ( 4.946 1.422 3.896) 6.454 5.117 ( 7.778 -3.390 5.960) 10.369 5.242 ( 8.474 10.533 6.706) 15.091 5.349 ( -3.592 5.004 2.247) 6.557 5.394 ( 7.100 4.316 -0.214) 8.311 5.478 ( 5.076 6.851 3.619) 9.263 5.611 ( -2.274 5.789 0.766) 6.267 5.648 ( 0.259 -2.007 0.672) 2.132 5.766 ( 0.172 0.361 -1.478) 1.531 5.782 ( 1.835 -2.503 -1.638) 3.509 5.935 ( 2.431 -2.876 -4.779) 6.084 5.946 ( 2.062 -0.507 3.903) 4.443 6.136 ( 3.670 0.871 -4.981) 6.248 6.322 ( -1.182 3.348 -9.836) 10.458 6.527 ( 4.141 -6.258 -4.656) 8.832 6.642 ( 0.144 3.434 -4.329) 5.527 6.750 ( -0.643 3.178 -3.305) 4.630 6.866 ( -0.528 -3.315 0.603) 3.411 6.903 ( -3.286 3.718 5.623) 7.499 7.065 ( 2.413 -0.834 1.225) 2.831 7.144 ( -7.573 0.926 4.805) 9.016 7.191 ( -4.779 -0.228 4.766) 6.753 7.260 ( -3.351 -7.940 11.393) 14.286 7.323 ( -10.391 3.947 -6.368) 12.811 7.403 ( -2.042 5.905 2.464) 6.717 7.538 ( -1.232 -0.003 -7.177) 7.282 7.619 ( 1.129 3.100 -2.300) 4.022 7.919 ( 1.278 -11.575 -3.397) 12.131 8.039 ( 1.069 1.488 1.574) 2.415 8.095 ( 3.056 -2.104 -9.016) 9.749 8.281 ( -3.287 4.359 1.385) 5.632 8.415 ( -0.054 1.128 -0.145) 1.139 8.548 ( -3.262 -2.236 -3.188) 5.080 8.712 ( 1.789 -5.430 0.146) 5.719 8.904 ( -6.329 -0.220 0.757) 6.378 9.237 ( -1.417 -10.157 0.760) 10.283 9.718 ( -6.750 6.798 -1.326) 9.671 9.803 ( -6.235 3.766 4.205) 8.411 9.912 ( -7.489 -1.899 12.536) 14.726 10.044 ( -8.369 -7.485 -3.271) 11.695 17.598 ( 0.215 0.811 -0.228) 0.870 17.631 ( 0.370 -0.594 0.310) 0.765 17.682 ( 0.001 0.214 -0.111) 0.241 17.692 ( -0.146 -0.170 -0.032) 0.227 17.956 ( -0.013 0.350 0.413) 0.541 17.976 ( -0.130 -0.542 0.172) 0.583 18.025 ( 0.093 0.378 0.003) 0.390 18.036 ( 0.081 -0.070 0.039) 0.114 30.277 ( 0.087 -0.332 0.469) 0.581 30.305 ( -0.260 -1.183 0.564) 1.336 30.562 ( 1.019 4.359 -1.483) 4.716 30.611 ( 1.212 2.589 -1.722) 3.337 49.116 ( 2.563 2.333 -0.073) 3.466 49.290 ( 2.643 -5.687 -0.003) 6.271 50.077 ( 9.900 7.762 -1.810) 12.709 50.430 ( 6.266 -8.341 -6.359) 12.218 ======================= Grid point 85 (43/128) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -8.159 -0.802 0.880) 8.246 2.511 ( 0.929 -2.265 12.135) 12.379 2.783 ( -3.167 0.552 4.444) 5.485 2.854 ( 4.056 -5.516 5.804) 8.976 3.042 ( 5.050 1.390 2.270) 5.709 3.209 ( -1.538 -8.229 1.328) 8.476 3.613 ( 4.591 7.880 6.348) 11.112 3.657 ( -4.001 0.911 -0.935) 4.209 3.678 ( 6.212 2.626 0.221) 6.748 3.829 ( -0.246 -3.083 0.587) 3.148 4.024 ( -5.378 0.998 -1.661) 5.717 4.168 ( 4.431 8.248 -0.080) 9.363 4.290 ( -4.447 -9.480 6.974) 12.581 4.472 ( 0.034 5.613 2.052) 5.976 4.584 ( 11.503 -4.318 -2.688) 12.577 4.869 ( -6.116 2.678 7.062) 9.719 4.885 ( 2.568 -9.217 -3.331) 10.131 5.226 ( -2.148 6.626 3.520) 7.804 5.251 ( -0.383 -3.531 1.928) 4.041 5.377 ( 1.263 0.382 2.522) 2.846 5.480 ( -4.977 6.150 -1.187) 8.000 5.538 ( -2.366 1.131 -5.592) 6.177 5.587 ( 1.603 2.556 1.025) 3.187 5.692 ( 2.661 -3.032 0.931) 4.140 5.761 ( 2.180 2.522 -3.008) 4.490 5.838 ( 0.043 2.192 2.576) 3.383 5.987 ( 5.337 -4.299 -2.596) 7.329 6.079 ( 8.819 -0.333 -1.410) 8.937 6.192 ( 4.684 2.081 -7.237) 8.868 6.284 ( 2.612 3.893 -6.097) 7.691 6.437 ( -1.907 7.106 -3.139) 7.999 6.645 ( 0.504 8.732 -0.788) 8.782 6.758 ( -0.347 1.787 -1.356) 2.270 6.787 ( -5.525 1.187 0.510) 5.674 6.864 ( -11.394 0.359 4.089) 12.111 6.934 ( 0.286 -1.888 1.014) 2.162 7.040 ( -6.031 -1.618 -2.075) 6.580 7.174 ( -2.052 1.682 0.164) 2.658 7.229 ( 1.826 -4.822 -1.011) 5.254 7.238 ( -2.332 -2.413 5.462) 6.411 7.472 ( 0.815 3.925 -5.191) 6.558 7.492 ( 3.812 2.650 4.127) 6.211 7.630 ( 0.247 0.614 -0.209) 0.694 7.914 ( 2.697 -7.662 -5.776) 9.967 8.051 ( 0.619 1.522 0.391) 1.689 8.132 ( 2.429 -2.339 -1.373) 3.641 8.218 ( -2.418 -1.466 2.798) 3.978 8.442 ( -3.107 4.685 3.211) 6.474 8.505 ( 5.432 -4.753 -2.497) 7.638 8.709 ( -3.094 -10.033 -0.412) 10.507 8.821 ( 0.299 4.277 -3.036) 5.254 9.205 ( -2.857 -10.184 1.138) 10.638 9.623 ( -1.883 6.733 -0.489) 7.008 9.716 ( -4.474 3.386 0.417) 5.626 9.855 ( -5.948 -3.104 7.827) 10.309 9.937 ( -1.570 -7.003 0.181) 7.179 17.603 ( 0.267 0.644 0.044) 0.698 17.635 ( -0.078 -0.840 0.048) 0.845 17.683 ( 0.166 0.281 -0.165) 0.366 17.687 ( -0.194 0.164 -0.046) 0.258 17.958 ( -0.070 0.259 0.439) 0.515 17.976 ( -0.031 -0.517 0.305) 0.601 18.026 ( 0.006 0.418 -0.042) 0.420 18.037 ( -0.028 -0.021 -0.014) 0.038 30.286 ( 0.034 -0.536 1.067) 1.195 30.303 ( -0.433 -0.918 0.701) 1.233 30.568 ( 0.946 4.585 -1.391) 4.884 30.617 ( 0.817 2.785 -1.317) 3.187 49.177 ( 2.238 1.912 3.242) 4.379 49.343 ( 1.476 -5.857 2.255) 6.447 50.196 ( 3.698 6.214 -3.955) 8.242 50.469 ( 3.183 -6.216 -6.354) 9.441 ======================= Grid point 86 (44/128) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -16.382 3.212 2.079) 16.823 2.442 ( -12.412 -7.109 -6.412) 15.675 2.645 ( -10.667 0.801 5.539) 12.046 2.908 ( -1.901 -8.103 9.297) 12.478 3.103 ( -3.009 -4.079 4.709) 6.918 3.169 ( -2.773 -7.629 0.594) 8.139 3.555 ( -0.926 3.276 -3.427) 4.831 3.690 ( -4.334 2.406 5.865) 7.680 3.828 ( 7.470 8.514 1.049) 11.375 3.901 ( 3.143 -1.400 10.068) 10.640 4.103 ( 8.522 -2.271 5.454) 10.369 4.237 ( 1.539 1.994 1.041) 2.725 4.382 ( 9.990 3.913 5.770) 12.182 4.556 ( 2.674 -3.218 4.829) 6.390 4.728 ( -1.934 -7.448 -0.605) 7.719 4.848 ( 6.278 -7.823 1.136) 10.095 4.887 ( -3.097 7.477 6.155) 10.167 5.132 ( -6.055 -0.768 -0.160) 6.105 5.168 ( -8.178 9.685 -2.298) 12.882 5.352 ( -7.072 3.525 -1.261) 8.001 5.357 ( -11.134 5.276 -6.687) 14.018 5.420 ( -0.286 1.659 -3.274) 3.682 5.588 ( 0.081 1.719 1.518) 2.294 5.701 ( -4.113 3.305 -3.813) 6.510 5.744 ( 0.671 -0.854 -1.016) 1.487 5.789 ( -3.564 5.735 0.693) 6.788 6.040 ( -8.591 -2.597 -2.906) 9.433 6.076 ( 5.556 -3.909 0.041) 6.793 6.279 ( 0.783 0.434 -5.599) 5.670 6.334 ( 13.991 0.119 -4.168) 14.599 6.447 ( 5.234 4.845 -2.326) 7.502 6.628 ( 0.299 1.145 2.162) 2.465 6.674 ( -0.703 -2.445 -2.247) 3.395 6.749 ( -0.876 1.704 -2.002) 2.771 6.850 ( -0.099 -2.941 0.243) 2.953 6.945 ( -2.395 1.635 -0.828) 3.016 7.010 ( -3.507 -5.650 0.277) 6.656 7.127 ( -2.862 1.786 0.372) 3.394 7.169 ( 5.799 2.957 2.409) 6.940 7.301 ( 2.522 -0.785 -1.489) 3.032 7.476 ( 1.408 5.013 0.681) 5.251 7.569 ( 0.723 -1.479 2.072) 2.647 7.669 ( 6.641 1.563 -2.197) 7.167 7.930 ( 1.543 8.472 -5.368) 10.148 8.058 ( -0.149 1.161 1.738) 2.096 8.149 ( 1.532 -6.966 4.123) 8.238 8.281 ( 4.438 -6.950 -2.600) 8.647 8.401 ( -2.996 3.996 5.837) 7.682 8.597 ( -3.426 -1.200 3.454) 5.010 8.663 ( 5.979 -12.403 -3.054) 14.103 8.847 ( 3.894 2.816 -3.167) 5.755 9.144 ( -3.281 -7.154 -0.557) 7.890 9.613 ( -0.625 4.707 -0.923) 4.837 9.668 ( 1.652 4.887 -0.454) 5.179 9.804 ( -3.646 -3.729 4.810) 7.095 9.989 ( 6.047 -7.585 2.244) 9.957 17.609 ( 0.185 0.467 0.342) 0.607 17.629 ( -0.434 -0.474 -0.254) 0.691 17.680 ( -0.234 0.353 -0.229) 0.482 17.690 ( 0.269 -0.119 -0.035) 0.296 17.960 ( -0.149 0.349 0.507) 0.633 17.979 ( 0.048 -0.519 0.440) 0.682 18.024 ( -0.092 0.384 -0.106) 0.409 18.035 ( -0.093 -0.065 -0.101) 0.151 30.291 ( -0.340 -0.641 1.273) 1.465 30.301 ( -0.232 -0.723 0.618) 0.979 30.579 ( 0.871 4.578 -0.863) 4.740 30.623 ( 0.631 2.977 -1.280) 3.302 49.241 ( 0.286 1.125 6.337) 6.442 49.373 ( -0.690 -5.187 3.442) 6.263 50.149 ( -4.100 6.999 -6.110) 10.155 50.468 ( 1.563 -7.712 -6.839) 10.425 ======================= Grid point 87 (45/128) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -21.937 4.794 -5.064) 23.019 2.083 ( -17.647 5.726 4.007) 18.980 2.517 ( -5.333 -11.396 2.451) 12.819 2.930 ( -4.925 -16.042 13.059) 21.263 3.055 ( -3.955 -6.777 3.453) 8.573 3.108 ( -2.909 -6.670 -0.941) 7.337 3.526 ( -0.950 4.206 -0.419) 4.332 3.669 ( -0.767 0.138 0.559) 0.959 3.978 ( -1.769 7.510 13.105) 15.207 4.025 ( 4.802 4.405 5.183) 8.327 4.188 ( -5.238 -3.626 4.900) 8.037 4.279 ( 0.615 0.159 -3.819) 3.871 4.493 ( -2.928 -0.724 -4.764) 5.639 4.648 ( 4.013 1.315 4.442) 6.129 4.689 ( -12.115 4.647 2.799) 13.274 4.759 ( -7.745 0.614 -0.267) 7.774 4.837 ( -2.736 1.604 7.831) 8.449 4.971 ( -8.773 10.079 2.422) 13.580 5.100 ( -7.809 6.607 -8.249) 13.141 5.193 ( 10.043 -3.275 -2.743) 10.914 5.246 ( 4.405 6.081 -0.965) 7.570 5.395 ( -0.672 3.664 -3.682) 5.237 5.555 ( -4.522 0.540 1.157) 4.699 5.648 ( 0.261 0.572 0.282) 0.690 5.714 ( -4.308 -1.768 -0.845) 4.732 5.766 ( 0.194 4.213 -0.717) 4.278 5.838 ( -8.585 -5.275 -0.153) 10.077 6.150 ( 0.643 -9.223 -2.485) 9.573 6.331 ( 6.274 0.617 1.315) 6.440 6.448 ( -1.701 0.182 -7.597) 7.787 6.537 ( 2.081 -3.408 -0.866) 4.086 6.647 ( 0.944 -1.360 -1.920) 2.534 6.664 ( -2.719 -3.070 -3.582) 5.445 6.743 ( 6.653 -0.336 -0.566) 6.686 6.844 ( 3.987 2.885 -2.005) 5.314 6.905 ( 3.450 1.697 1.089) 3.996 6.997 ( 2.164 0.577 3.671) 4.300 7.098 ( -0.641 -2.223 1.926) 3.011 7.333 ( 5.063 3.940 4.189) 7.662 7.340 ( 4.283 3.065 -7.477) 9.145 7.536 ( -0.129 0.164 2.767) 2.775 7.614 ( 6.182 0.394 -1.130) 6.297 7.796 ( 6.257 0.492 -1.381) 6.426 7.890 ( -0.626 15.772 -0.589) 15.796 8.116 ( 3.652 -3.009 1.239) 4.891 8.228 ( 3.989 0.249 -1.738) 4.358 8.299 ( -1.696 -7.076 5.171) 8.927 8.408 ( -0.544 -0.112 0.697) 0.891 8.532 ( -1.675 -3.168 -2.485) 4.361 8.738 ( -0.737 -13.181 2.183) 13.381 8.935 ( 6.254 2.978 0.430) 6.940 9.080 ( -1.084 -2.378 -4.570) 5.265 9.587 ( -0.018 1.608 -1.782) 2.401 9.696 ( -1.511 -2.191 0.553) 2.718 9.889 ( 10.519 5.693 5.578) 13.198 10.197 ( 12.342 -7.808 3.864) 15.106 17.613 ( -0.342 0.339 0.100) 0.492 17.619 ( -0.158 0.172 0.076) 0.245 17.673 ( -0.259 0.237 -0.437) 0.560 17.694 ( 0.197 -0.529 -0.014) 0.565 17.961 ( -0.203 0.465 0.626) 0.806 17.983 ( -0.103 -0.490 0.451) 0.674 18.022 ( -0.059 0.303 -0.125) 0.333 18.032 ( -0.088 -0.153 -0.173) 0.247 30.300 ( 0.276 -0.537 1.428) 1.550 30.306 ( 0.363 -0.503 0.611) 0.871 30.574 ( -1.178 3.933 -0.998) 4.226 30.611 ( -0.770 2.923 -2.107) 3.685 49.267 ( -3.139 0.558 6.806) 7.516 49.374 ( -1.803 -4.193 3.601) 5.814 49.978 ( -7.499 8.778 -6.226) 13.116 50.405 ( -2.302 -11.194 -8.834) 14.445 ======================= Grid point 88 (46/128) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -14.125 16.799 -4.441) 22.393 1.844 ( -14.958 18.730 14.984) 28.268 2.490 ( 1.162 -20.888 0.923) 20.941 2.909 ( -7.208 -15.720 11.638) 20.845 2.975 ( -7.039 -2.305 -2.038) 7.682 3.089 ( 1.401 -12.387 0.765) 12.489 3.383 ( -17.664 15.430 0.002) 23.454 3.626 ( -0.588 0.721 -2.575) 2.738 3.896 ( -6.971 6.207 5.870) 11.026 4.046 ( -5.279 -3.094 -2.011) 6.441 4.126 ( 0.054 -0.893 9.678) 9.720 4.283 ( -2.081 0.401 2.053) 2.951 4.449 ( -7.778 4.354 -0.383) 8.922 4.466 ( -2.734 6.518 -1.160) 7.163 4.599 ( -5.247 0.474 4.662) 7.034 4.677 ( -5.044 0.937 -6.454) 8.245 4.791 ( 0.187 -2.828 7.801) 8.300 4.932 ( -2.327 0.314 -1.463) 2.766 5.049 ( 3.382 7.722 4.294) 9.461 5.247 ( -6.077 5.542 -7.003) 10.802 5.262 ( -1.603 1.337 -1.248) 2.432 5.382 ( -2.005 -4.372 -5.841) 7.567 5.541 ( 1.540 -0.307 6.882) 7.059 5.567 ( -3.207 -2.745 1.039) 4.347 5.684 ( -6.972 -7.199 0.740) 10.049 5.751 ( 1.328 -3.417 1.890) 4.125 5.776 ( 6.310 2.269 -4.794) 8.243 6.072 ( -4.895 -10.059 -3.630) 11.761 6.301 ( -4.439 -0.042 -1.415) 4.660 6.418 ( 1.757 0.092 -1.980) 2.649 6.472 ( -3.298 -1.322 0.370) 3.573 6.615 ( 0.970 -3.491 -7.328) 8.174 6.779 ( 6.515 3.780 2.053) 7.807 6.862 ( 5.055 0.852 -1.489) 5.339 6.955 ( 2.262 3.000 -2.289) 4.400 6.991 ( 9.180 2.818 1.621) 9.739 7.117 ( 6.846 3.931 3.077) 8.473 7.182 ( 5.170 0.226 5.996) 7.920 7.345 ( 2.625 3.287 -7.852) 8.908 7.461 ( 4.576 4.017 5.692) 8.335 7.518 ( 0.292 -2.615 -4.992) 5.643 7.667 ( -1.695 6.227 0.244) 6.458 7.906 ( 7.131 2.728 -3.196) 8.277 7.978 ( 7.957 6.932 2.161) 10.772 8.180 ( 1.487 -2.051 2.306) 3.426 8.250 ( 1.677 0.209 -3.786) 4.146 8.310 ( -2.421 -7.777 3.354) 8.808 8.367 ( -3.090 -1.322 -0.824) 3.461 8.505 ( 1.103 -0.326 -3.848) 4.016 8.702 ( -4.569 -8.732 6.143) 11.613 9.008 ( 1.138 -0.396 -9.752) 9.827 9.084 ( 4.367 -1.838 4.818) 6.757 9.588 ( 0.848 0.543 -0.681) 1.215 9.671 ( -1.431 -4.467 2.721) 5.423 10.237 ( 18.607 7.886 6.560) 21.247 10.498 ( 14.456 -6.099 3.953) 16.180 17.598 ( -0.687 0.770 -0.430) 1.118 17.625 ( 0.160 0.559 0.750) 0.949 17.662 ( -0.350 -0.234 -0.693) 0.810 17.697 ( 0.139 -0.839 0.004) 0.850 17.961 ( -0.253 0.433 0.734) 0.889 17.981 ( -0.337 -0.406 0.420) 0.674 18.021 ( 0.077 0.194 -0.103) 0.233 18.029 ( -0.061 -0.167 -0.232) 0.292 30.318 ( 0.663 -0.016 0.951) 1.159 30.332 ( 1.375 -0.473 1.280) 1.938 30.510 ( -3.843 2.772 -2.238) 5.240 30.553 ( -3.485 1.549 -2.620) 4.627 49.228 ( -4.338 1.361 3.633) 5.820 49.345 ( -3.916 -3.280 2.296) 5.600 49.803 ( -5.579 8.491 -3.867) 10.871 50.233 ( -7.344 -12.056 -11.721) 18.348 ======================= Grid point 89 (47/128) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 4.337 29.689 3.773) 30.241 1.728 ( -8.384 28.648 14.943) 33.380 2.532 ( -5.730 -8.067 2.750) 10.270 2.623 ( -15.379 13.355 5.562) 21.114 2.866 ( -5.638 -14.841 5.491) 16.798 3.105 ( -3.118 -5.213 1.558) 6.271 3.210 ( 2.985 -7.730 0.548) 8.304 3.624 ( 0.426 -4.267 -1.726) 4.623 3.787 ( -3.746 2.763 -9.726) 10.782 4.016 ( 0.276 -1.469 4.633) 4.868 4.112 ( -9.345 0.189 2.040) 9.567 4.141 ( -8.568 -2.222 4.242) 9.815 4.352 ( -2.039 2.166 3.518) 4.607 4.443 ( 0.330 2.633 -3.108) 4.087 4.563 ( -4.991 2.500 2.809) 6.249 4.599 ( 2.190 -0.108 -0.876) 2.361 4.879 ( -2.459 -7.996 5.191) 9.845 4.909 ( 2.441 -3.983 4.194) 6.278 5.024 ( -3.354 6.241 -7.162) 10.075 5.122 ( -2.141 -0.695 -2.749) 3.553 5.180 ( -1.516 0.642 3.319) 3.705 5.327 ( -2.534 6.662 3.108) 7.776 5.450 ( -8.221 -0.610 3.351) 8.899 5.525 ( -1.953 -4.791 -6.456) 8.273 5.704 ( -2.709 -1.414 -0.919) 3.191 5.742 ( 3.591 -1.292 8.089) 8.944 5.840 ( 0.423 -2.528 -2.665) 3.698 6.043 ( 2.614 -11.245 3.227) 11.987 6.261 ( 0.260 -1.498 -5.033) 5.257 6.411 ( 1.888 -3.517 -5.631) 6.902 6.449 ( -0.503 0.573 2.299) 2.422 6.579 ( 1.463 -2.798 -4.914) 5.841 6.826 ( -0.564 5.982 -6.313) 8.715 6.934 ( 2.258 2.075 3.024) 4.307 6.979 ( 2.290 3.722 -1.355) 4.575 7.140 ( 2.796 -2.649 0.704) 3.916 7.279 ( 3.882 4.901 5.282) 8.185 7.320 ( 1.507 1.922 -0.271) 2.457 7.360 ( 8.751 6.649 -3.320) 11.481 7.477 ( 0.606 -0.061 -7.454) 7.479 7.588 ( 2.803 4.618 2.676) 6.028 7.630 ( -0.945 6.677 3.769) 7.725 7.926 ( 2.064 8.153 -14.686) 16.924 8.169 ( 2.042 -2.760 1.086) 3.601 8.205 ( -0.866 -0.257 -3.888) 3.991 8.240 ( 1.955 -2.034 1.463) 3.177 8.273 ( 0.912 -2.736 -1.053) 3.070 8.311 ( -0.930 -1.765 -0.082) 1.997 8.500 ( -0.664 1.855 2.916) 3.519 8.697 ( -2.317 -5.343 10.255) 11.793 8.948 ( 1.114 0.767 -8.351) 8.460 9.209 ( 3.560 -7.086 5.414) 9.603 9.605 ( 0.795 0.782 1.701) 2.034 9.699 ( 0.436 -4.066 7.361) 8.421 10.613 ( 12.734 4.198 1.655) 13.510 10.790 ( 11.776 -4.566 2.877) 12.954 17.584 ( -0.421 1.338 -0.207) 1.418 17.631 ( -0.166 1.660 0.357) 1.706 17.653 ( 0.060 -1.530 -0.347) 1.570 17.699 ( 0.083 -1.073 -0.033) 1.077 17.961 ( -0.352 0.297 0.776) 0.903 17.977 ( -0.393 -0.305 0.391) 0.633 18.023 ( 0.147 0.059 -0.078) 0.177 18.026 ( -0.017 -0.086 -0.281) 0.294 30.333 ( -0.142 0.465 0.440) 0.655 30.365 ( 0.447 -0.755 1.077) 1.389 30.411 ( -3.413 1.686 -2.526) 4.569 30.459 ( -2.927 -0.038 -1.257) 3.186 49.183 ( -1.159 1.632 0.349) 2.032 49.261 ( -4.666 -1.564 -0.383) 4.936 49.710 ( -1.915 6.028 -2.147) 6.680 49.968 ( -8.354 -4.854 -12.364) 15.691 ======================= Grid point 90 (48/128) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 2.051 -25.253 5.461) 25.918 2.049 ( 2.051 25.253 5.461) 25.918 2.352 ( -7.647 -23.551 4.161) 25.109 2.352 ( -7.647 23.551 4.161) 25.109 2.972 ( 5.892 -7.663 1.390) 9.766 2.972 ( 5.892 7.663 1.390) 9.766 3.360 ( -0.921 -16.041 9.640) 18.737 3.360 ( -0.921 16.041 9.640) 18.737 3.819 ( -9.918 -7.992 -9.123) 15.667 3.819 ( -9.918 7.992 -9.123) 15.667 3.973 ( 1.775 -7.827 0.206) 8.029 3.973 ( 1.775 7.827 0.206) 8.029 4.395 ( 5.721 -4.111 6.980) 9.917 4.395 ( 5.721 4.111 6.980) 9.917 4.597 ( -0.041 -4.821 -2.603) 5.479 4.597 ( -0.041 4.821 -2.603) 5.479 4.891 ( -3.664 -3.655 3.036) 6.000 4.891 ( -3.664 3.655 3.036) 6.000 5.014 ( 2.146 -1.177 -4.493) 5.116 5.014 ( 2.146 1.177 -4.493) 5.116 5.277 ( -2.167 -1.099 5.498) 6.011 5.277 ( -2.167 1.099 5.498) 6.011 5.448 ( 0.142 -7.502 -0.416) 7.514 5.448 ( 0.142 7.502 -0.416) 7.514 5.692 ( -0.457 -3.838 3.556) 5.252 5.692 ( -0.457 3.838 3.556) 5.252 6.006 ( 3.617 -2.348 8.214) 9.277 6.006 ( 3.617 2.348 8.214) 9.277 6.237 ( 0.776 -4.150 -6.432) 7.693 6.237 ( 0.776 4.150 -6.432) 7.693 6.524 ( 2.188 -2.616 -3.751) 5.070 6.524 ( 2.188 2.616 -3.751) 5.070 6.876 ( -2.140 -4.992 -3.248) 6.329 6.876 ( -2.140 4.992 -3.248) 6.329 7.097 ( -2.037 -1.431 3.689) 4.450 7.097 ( -2.037 1.431 3.689) 4.450 7.345 ( 1.090 -1.134 -2.224) 2.724 7.345 ( 1.090 1.134 -2.224) 2.724 7.542 ( 3.376 -3.377 -3.050) 5.666 7.542 ( 3.376 3.377 -3.050) 5.666 7.690 ( -1.878 -2.148 0.838) 2.974 7.690 ( -1.878 2.148 0.838) 2.974 7.930 ( -4.020 -5.731 -11.325) 13.314 7.930 ( -4.020 5.731 -11.325) 13.314 8.129 ( -2.621 -2.593 -10.105) 10.757 8.129 ( -2.621 2.593 -10.105) 10.757 8.415 ( 5.335 -1.397 4.739) 7.271 8.415 ( 5.335 1.397 4.739) 7.271 8.591 ( -1.252 -3.582 5.045) 6.312 8.591 ( -1.252 3.582 5.045) 6.312 9.083 ( 0.732 -8.563 3.332) 9.218 9.083 ( 0.732 8.563 3.332) 9.218 9.716 ( 1.438 -3.446 9.437) 10.149 9.716 ( 1.438 3.446 9.437) 10.149 10.768 ( -3.847 -4.687 -3.723) 7.115 10.768 ( -3.847 4.687 -3.723) 7.115 17.615 ( -0.024 -1.494 -0.106) 1.498 17.615 ( -0.024 1.494 -0.106) 1.498 17.670 ( 0.154 -1.496 0.221) 1.520 17.670 ( 0.154 1.496 0.221) 1.520 17.967 ( -0.303 -0.401 0.458) 0.680 17.967 ( -0.303 0.401 0.458) 0.680 18.025 ( 0.108 -0.098 -0.152) 0.210 18.025 ( 0.108 0.098 -0.152) 0.210 30.320 ( -1.113 -0.587 -1.013) 1.616 30.320 ( -1.113 0.587 -1.013) 1.616 30.441 ( 2.135 -0.994 1.051) 2.579 30.441 ( 2.135 0.994 1.051) 2.579 49.184 ( -0.586 -0.470 -1.491) 1.670 49.184 ( -0.586 0.470 -1.491) 1.670 49.790 ( 2.417 -4.518 -3.932) 6.459 49.790 ( 2.417 4.518 -3.932) 6.459 ======================= Grid point 92 (49/128) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.622 -26.405 2.421) 26.523 2.091 ( 0.622 26.405 2.421) 26.523 2.287 ( -4.867 -20.055 14.558) 25.255 2.287 ( -4.867 20.055 14.558) 25.255 3.032 ( 0.329 -5.573 0.169) 5.585 3.032 ( 0.329 5.573 0.169) 5.585 3.474 ( 2.760 -2.356 -1.606) 3.969 3.474 ( 2.760 2.356 -1.606) 3.969 3.714 ( 5.092 -6.768 -1.932) 8.687 3.714 ( 5.092 6.768 -1.932) 8.687 4.030 ( 4.690 -11.766 2.190) 12.854 4.030 ( 4.690 11.766 2.190) 12.854 4.553 ( 0.253 -4.540 -0.326) 4.559 4.553 ( 0.253 4.540 -0.326) 4.559 4.656 ( 10.008 -8.205 2.221) 13.131 4.656 ( 10.008 8.205 2.221) 13.131 4.820 ( -2.373 -1.641 2.368) 3.732 4.820 ( -2.373 1.641 2.368) 3.732 4.990 ( -1.119 -6.927 -0.751) 7.057 4.990 ( -1.119 6.927 -0.751) 7.057 5.369 ( 5.832 -1.089 4.244) 7.294 5.369 ( 5.832 1.089 4.244) 7.294 5.453 ( 0.529 -7.434 1.911) 7.694 5.453 ( 0.529 7.434 1.911) 7.694 5.761 ( 3.274 -2.610 4.237) 5.957 5.761 ( 3.274 2.610 4.237) 5.957 6.002 ( -5.131 -3.090 -0.865) 6.052 6.002 ( -5.131 3.090 -0.865) 6.052 6.255 ( 1.030 -3.889 -4.170) 5.795 6.255 ( 1.030 3.889 -4.170) 5.795 6.541 ( 4.116 -7.779 -6.108) 10.712 6.541 ( 4.116 7.779 -6.108) 10.712 6.835 ( 0.260 -3.723 -0.841) 3.826 6.835 ( 0.260 3.723 -0.841) 3.826 7.047 ( -5.343 -3.639 5.419) 8.435 7.047 ( -5.343 3.639 5.419) 8.435 7.346 ( -1.769 -3.316 -0.164) 3.761 7.346 ( -1.769 3.316 -0.164) 3.761 7.508 ( -4.150 -6.666 -2.208) 8.156 7.508 ( -4.150 6.666 -2.208) 8.156 7.652 ( -1.466 -6.373 -0.994) 6.614 7.652 ( -1.466 6.373 -0.994) 6.614 7.762 ( -4.253 -4.098 -7.569) 9.600 7.762 ( -4.253 4.098 -7.569) 9.600 8.042 ( 1.476 -4.016 -9.057) 10.017 8.042 ( 1.476 4.016 -9.057) 10.017 8.484 ( 1.432 -3.508 -2.283) 4.424 8.484 ( 1.432 3.508 -2.283) 4.424 8.613 ( -1.902 -2.652 6.758) 7.504 8.613 ( -1.902 2.652 6.758) 7.504 9.104 ( -1.034 -6.991 2.107) 7.374 9.104 ( -1.034 6.991 2.107) 7.374 9.814 ( -0.649 -4.143 12.866) 13.532 9.814 ( -0.649 4.143 12.866) 13.532 10.524 ( -15.223 -4.645 -6.306) 17.120 10.524 ( -15.223 4.645 -6.306) 17.120 17.614 ( 0.011 -0.489 -0.098) 0.499 17.614 ( 0.011 0.489 -0.098) 0.499 17.677 ( 0.308 -0.703 0.240) 0.805 17.677 ( 0.308 0.703 0.240) 0.805 17.965 ( -0.165 -0.528 0.345) 0.651 17.965 ( -0.165 0.528 0.345) 0.651 18.026 ( 0.142 -0.199 -0.076) 0.256 18.026 ( 0.142 0.199 -0.076) 0.256 30.300 ( -0.443 -0.778 -0.934) 1.294 30.300 ( -0.443 0.778 -0.934) 1.294 30.516 ( 4.321 -0.794 0.677) 4.445 30.516 ( 4.321 0.794 0.677) 4.445 49.164 ( -0.031 -2.924 -2.280) 3.707 49.164 ( -0.031 2.924 -2.280) 3.707 49.887 ( 9.602 -8.341 -3.011) 13.070 49.887 ( 9.602 8.341 -3.011) 13.070 ======================= Grid point 94 (50/128) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 8.890 -17.809 6.357) 20.895 2.206 ( 8.890 17.809 6.357) 20.895 2.350 ( -1.150 -13.105 15.047) 19.987 2.350 ( -1.150 13.105 15.047) 19.987 3.045 ( 0.334 -6.089 2.182) 6.477 3.045 ( 0.334 6.089 2.182) 6.477 3.519 ( 5.859 -3.852 -3.032) 7.640 3.519 ( 5.859 3.852 -3.032) 7.640 3.759 ( 0.069 -2.159 -2.018) 2.956 3.759 ( 0.069 2.159 -2.018) 2.956 4.185 ( 7.435 -9.992 -1.914) 12.600 4.185 ( 7.435 9.992 -1.914) 12.600 4.517 ( -6.360 -6.870 1.554) 9.490 4.517 ( -6.360 6.870 1.554) 9.490 4.679 ( 1.161 -4.471 -8.554) 9.722 4.679 ( 1.161 4.471 -8.554) 9.722 4.843 ( 0.503 -4.696 5.339) 7.128 4.843 ( 0.503 4.696 5.339) 7.128 5.218 ( 17.460 -17.165 7.652) 25.652 5.218 ( 17.460 17.165 7.652) 25.652 5.453 ( 0.828 -4.406 0.130) 4.485 5.453 ( 0.828 4.406 0.130) 4.485 5.539 ( 3.765 -5.537 5.700) 8.793 5.539 ( 3.765 5.537 5.700) 8.793 5.831 ( -2.911 -3.801 3.380) 5.861 5.831 ( -2.911 3.801 3.380) 5.861 5.884 ( -0.624 -5.939 -3.045) 6.703 5.884 ( -0.624 5.939 -3.045) 6.703 6.190 ( 0.326 -1.702 -7.278) 7.482 6.190 ( 0.326 1.702 -7.278) 7.482 6.559 ( 2.499 -9.718 -8.796) 13.344 6.559 ( 2.499 9.718 -8.796) 13.344 6.845 ( 0.137 -1.401 -2.030) 2.470 6.845 ( 0.137 1.401 -2.030) 2.470 7.029 ( -3.084 -5.547 12.279) 13.823 7.029 ( -3.084 5.547 12.279) 13.823 7.224 ( -10.359 -4.543 4.781) 12.280 7.224 ( -10.359 4.543 4.781) 12.280 7.426 ( -3.286 -8.795 -2.236) 9.651 7.426 ( -3.286 8.795 -2.236) 9.651 7.602 ( -0.193 -8.132 -5.945) 10.075 7.602 ( -0.193 8.132 -5.945) 10.075 7.682 ( -0.691 -8.470 -3.141) 9.060 7.682 ( -0.691 8.470 -3.141) 9.060 8.038 ( 3.873 -2.312 -6.532) 7.938 8.038 ( 3.873 2.312 -6.532) 7.938 8.463 ( -1.400 -4.475 -3.369) 5.773 8.463 ( -1.400 4.475 -3.369) 5.774 8.597 ( -3.701 -4.206 4.223) 7.016 8.597 ( -3.701 4.206 4.223) 7.016 9.078 ( -2.560 -7.157 0.976) 7.664 9.078 ( -2.560 7.157 0.976) 7.664 9.868 ( -3.776 -4.045 12.014) 13.227 9.868 ( -3.776 4.045 12.014) 13.227 10.164 ( -15.353 -6.455 -5.063) 17.407 10.164 ( -15.353 6.455 -5.063) 17.407 17.614 ( 0.079 -0.477 -0.064) 0.487 17.614 ( 0.079 0.477 -0.064) 0.487 17.684 ( 0.222 -0.262 0.126) 0.365 17.684 ( 0.222 0.262 0.126) 0.365 17.965 ( -0.102 -0.572 0.262) 0.637 17.965 ( -0.102 0.572 0.262) 0.637 18.029 ( 0.162 -0.259 0.015) 0.306 18.029 ( 0.162 0.259 0.015) 0.306 30.287 ( -0.399 -0.821 -0.211) 0.937 30.287 ( -0.399 0.821 -0.211) 0.937 30.593 ( 3.216 -1.231 -0.978) 3.580 30.593 ( 3.216 1.231 -0.978) 3.580 49.157 ( 1.189 -4.013 -1.984) 4.632 49.157 ( 1.189 4.013 -1.984) 4.632 50.079 ( 11.198 -10.225 -2.730) 15.408 50.079 ( 11.198 10.225 -2.730) 15.408 ======================= Grid point 96 (51/128) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 1.553 -4.033 8.033) 9.122 2.438 ( 1.553 4.033 8.033) 9.122 2.523 ( 13.496 -4.275 11.369) 18.157 2.523 ( 13.496 4.275 11.369) 18.157 3.067 ( -0.583 -6.328 3.617) 7.312 3.067 ( -0.583 6.328 3.617) 7.312 3.636 ( 4.367 -4.120 0.220) 6.008 3.636 ( 4.367 4.120 0.220) 6.008 3.736 ( 1.810 -3.855 -2.410) 4.893 3.736 ( 1.810 3.855 -2.410) 4.893 4.235 ( -5.174 -1.095 -2.773) 5.972 4.235 ( -5.174 1.095 -2.773) 5.972 4.331 ( -3.971 -3.589 -0.529) 5.379 4.331 ( -3.971 3.589 -0.529) 5.379 4.660 ( 1.999 -6.026 -5.944) 8.697 4.660 ( 1.999 6.026 -5.944) 8.697 4.991 ( 7.182 -7.372 5.121) 11.495 4.991 ( 7.182 7.372 5.121) 11.495 5.375 ( -6.996 -2.700 2.726) 7.978 5.375 ( -6.996 2.700 2.726) 7.978 5.519 ( 6.926 -5.571 1.074) 8.953 5.519 ( 6.926 5.571 1.074) 8.953 5.630 ( 1.703 -2.579 -0.563) 3.141 5.630 ( 1.703 2.579 -0.563) 3.141 5.792 ( 1.056 -2.831 2.252) 3.769 5.792 ( 1.056 2.831 2.252) 3.769 5.926 ( 2.809 -1.981 0.089) 3.439 5.926 ( 2.809 1.981 0.089) 3.439 6.250 ( 7.379 -10.824 -3.051) 13.451 6.250 ( 7.379 10.824 -3.051) 13.451 6.541 ( 5.052 -10.385 -5.894) 12.966 6.541 ( 5.052 10.385 -5.894) 12.966 6.805 ( -1.936 -2.479 -2.753) 4.180 6.805 ( -1.936 2.479 -2.753) 4.180 7.021 ( -6.994 -6.551 8.290) 12.671 7.021 ( -6.994 6.551 8.290) 12.671 7.113 ( -5.825 -2.922 7.114) 9.648 7.113 ( -5.825 2.922 7.114) 9.648 7.305 ( -6.723 -5.646 -1.947) 8.993 7.305 ( -6.723 5.646 -1.947) 8.993 7.599 ( 4.011 -7.213 -6.309) 10.388 7.599 ( 4.011 7.213 -6.309) 10.388 7.638 ( -1.726 -10.531 -1.701) 10.807 7.638 ( -1.726 10.531 -1.701) 10.807 8.078 ( 4.025 -0.761 -4.593) 6.154 8.078 ( 4.025 0.761 -4.593) 6.154 8.377 ( -4.500 -4.634 -1.897) 6.732 8.377 ( -4.500 4.634 -1.897) 6.732 8.562 ( -1.673 -5.219 1.606) 5.711 8.562 ( -1.673 5.219 1.606) 5.711 9.029 ( -2.932 -9.008 0.908) 9.517 9.029 ( -2.932 9.008 0.908) 9.517 9.846 ( -5.383 -4.025 4.580) 8.134 9.846 ( -5.383 4.025 4.580) 8.134 9.897 ( -9.214 -5.251 1.188) 10.672 9.897 ( -9.214 5.251 1.188) 10.672 17.616 ( 0.113 -0.811 -0.015) 0.819 17.616 ( 0.113 0.811 -0.015) 0.819 17.687 ( 0.100 -0.247 0.004) 0.267 17.687 ( 0.100 0.247 0.004) 0.267 17.965 ( -0.097 -0.494 0.264) 0.569 17.965 ( -0.097 0.494 0.264) 0.569 18.032 ( 0.122 -0.282 0.043) 0.310 18.032 ( 0.122 0.282 0.043) 0.310 30.284 ( -0.113 -0.775 0.636) 1.009 30.284 ( -0.113 0.775 0.636) 1.009 30.625 ( 1.420 -1.327 -1.827) 2.667 30.625 ( 1.420 1.327 -1.827) 2.667 49.184 ( 2.299 -4.213 0.059) 4.800 49.184 ( 2.299 4.213 0.059) 4.800 50.250 ( 8.194 -8.555 -3.550) 12.367 50.250 ( 8.194 8.555 -3.550) 12.367 ======================= Grid point 98 (52/128) ======================= q-point: ( 0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -3.845 -1.481 3.752) 5.572 2.470 ( -3.845 1.481 3.752) 5.572 2.793 ( 2.868 -1.111 6.204) 6.925 2.793 ( 2.868 1.111 6.204) 6.925 3.086 ( -0.214 -3.297 3.792) 5.029 3.086 ( -0.214 3.297 3.792) 5.029 3.648 ( -0.391 -3.323 2.731) 4.319 3.648 ( -0.391 3.323 2.731) 4.319 3.817 ( 4.562 -1.473 -5.264) 7.120 3.817 ( 4.562 1.473 -5.264) 7.120 4.060 ( -5.452 -8.265 10.124) 14.160 4.060 ( -5.452 8.265 10.124) 14.160 4.416 ( 8.910 -11.190 -3.624) 14.756 4.416 ( 8.910 11.190 -3.624) 14.756 4.629 ( -2.479 -9.283 -2.623) 9.960 4.629 ( -2.479 9.283 -2.623) 9.960 5.080 ( -1.272 -11.084 5.068) 12.254 5.080 ( -1.272 11.084 5.068) 12.254 5.349 ( 1.553 -3.920 3.488) 5.473 5.349 ( 1.553 3.920 3.488) 5.473 5.546 ( -5.226 -2.564 0.879) 5.887 5.546 ( -5.226 2.564 0.879) 5.887 5.620 ( 2.206 -5.033 -5.392) 7.699 5.620 ( 2.206 5.033 -5.392) 7.699 5.847 ( 1.894 -4.405 -0.371) 4.809 5.847 ( 1.894 4.405 -0.371) 4.809 5.998 ( 4.792 -5.974 -0.057) 7.659 5.998 ( 4.792 5.974 -0.057) 7.659 6.261 ( 0.422 -3.952 -5.761) 6.999 6.261 ( 0.422 3.952 -5.761) 6.999 6.669 ( 0.903 -10.196 -2.529) 10.544 6.669 ( 0.903 10.196 -2.529) 10.544 6.790 ( 1.542 -1.015 0.421) 1.893 6.790 ( 1.542 1.015 0.421) 1.893 6.899 ( -6.796 -2.999 1.919) 7.673 6.899 ( -6.796 2.999 1.919) 7.673 7.071 ( -0.157 -5.287 1.180) 5.419 7.071 ( -0.157 5.287 1.180) 5.419 7.183 ( -4.850 -1.772 3.338) 6.148 7.183 ( -4.850 1.772 3.338) 6.148 7.576 ( 0.280 -4.879 -5.008) 6.997 7.576 ( 0.280 4.879 -5.008) 6.997 7.674 ( 4.099 -11.518 0.200) 12.228 7.674 ( 4.099 11.518 0.200) 12.228 8.112 ( 2.607 -3.935 -2.480) 5.332 8.112 ( 2.607 3.935 -2.480) 5.332 8.305 ( -1.098 -10.927 -1.430) 11.074 8.305 ( -1.098 10.927 -1.430) 11.074 8.554 ( -0.763 -5.447 1.705) 5.758 8.554 ( -0.763 5.447 1.705) 5.758 8.985 ( -2.080 -9.997 1.046) 10.264 8.985 ( -2.080 9.997 1.046) 10.264 9.755 ( -2.799 -3.314 -1.216) 4.505 9.755 ( -2.799 3.314 -1.216) 4.505 9.809 ( -4.338 -1.833 4.627) 6.602 9.809 ( -4.338 1.833 4.627) 6.602 17.618 ( 0.069 -0.797 0.040) 0.801 17.618 ( 0.069 0.797 0.040) 0.801 17.688 ( 0.001 -0.115 -0.092) 0.147 17.688 ( 0.001 0.115 -0.092) 0.147 17.966 ( -0.044 -0.428 0.366) 0.565 17.966 ( -0.044 0.428 0.366) 0.565 18.034 ( -0.010 -0.270 -0.025) 0.272 18.034 ( -0.010 0.270 -0.025) 0.272 30.288 ( -0.247 -0.532 1.058) 1.209 30.288 ( -0.247 0.532 1.058) 1.209 30.634 ( 1.055 -1.289 -1.562) 2.283 30.634 ( 1.055 1.289 -1.562) 2.283 49.238 ( 1.727 -3.953 2.824) 5.156 49.238 ( 1.727 3.953 2.824) 5.156 50.332 ( 3.352 -6.582 -4.989) 8.914 50.332 ( 3.352 6.582 -4.989) 8.914 ======================= Grid point 100 (53/128) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -12.092 -4.897 -3.882) 13.611 2.311 ( -12.092 4.897 -3.882) 13.611 2.736 ( -10.701 -7.115 7.348) 14.803 2.736 ( -10.701 7.115 7.348) 14.803 3.071 ( -3.700 -1.744 2.900) 5.014 3.071 ( -3.700 1.744 2.900) 5.014 3.647 ( -0.433 -5.004 -2.529) 5.623 3.647 ( -0.433 5.004 -2.529) 5.623 3.915 ( 5.217 -1.996 8.500) 10.171 3.915 ( 5.217 1.996 8.500) 10.171 4.165 ( 4.531 -8.043 7.159) 11.682 4.165 ( 4.531 8.043 7.159) 11.682 4.485 ( -1.827 -8.637 0.103) 8.829 4.485 ( -1.827 8.637 0.103) 8.829 4.673 ( 11.218 -5.886 0.101) 12.669 4.673 ( 11.218 5.886 0.101) 12.669 5.064 ( -5.956 -5.824 3.871) 9.186 5.064 ( -5.956 5.824 3.871) 9.186 5.333 ( -5.200 -5.642 -2.658) 8.120 5.333 ( -5.200 5.642 -2.658) 8.120 5.431 ( -3.098 -2.034 0.329) 3.720 5.431 ( -3.098 2.034 0.329) 3.720 5.647 ( 1.826 -5.697 -1.566) 6.184 5.647 ( 1.826 5.697 -1.566) 6.184 5.815 ( -4.056 -3.699 -2.839) 6.180 5.815 ( -4.056 3.699 -2.839) 6.180 6.037 ( -2.621 -3.925 -0.950) 4.814 6.037 ( -2.621 3.925 -0.949) 4.814 6.304 ( 7.265 -1.685 -4.297) 8.607 6.304 ( 7.265 1.685 -4.297) 8.607 6.584 ( -3.455 -5.557 -2.888) 7.152 6.584 ( -3.455 5.557 -2.888) 7.152 6.687 ( -3.012 -5.163 -1.862) 6.260 6.687 ( -3.012 5.163 -1.862) 6.260 6.850 ( -2.721 -3.889 0.908) 4.832 6.850 ( -2.721 3.889 0.908) 4.832 7.076 ( -2.675 -6.278 2.540) 7.282 7.076 ( -2.675 6.278 2.540) 7.282 7.256 ( 7.449 -3.356 2.206) 8.463 7.256 ( 7.449 3.356 2.206) 8.463 7.565 ( 2.488 -1.712 -5.668) 6.423 7.565 ( 2.488 1.712 -5.668) 6.423 7.776 ( 5.079 -12.451 2.776) 13.731 7.776 ( 5.079 12.451 2.776) 13.731 8.157 ( 2.625 -4.497 -0.798) 5.268 8.157 ( 2.625 4.497 -0.798) 5.268 8.302 ( 1.721 -13.875 -1.220) 14.034 8.302 ( 1.721 13.875 -1.220) 14.034 8.545 ( -1.808 -2.755 1.995) 3.852 8.545 ( -1.808 2.755 1.995) 3.852 8.976 ( 0.614 -8.105 0.965) 8.186 8.976 ( 0.614 8.105 0.965) 8.186 9.694 ( -3.278 -3.182 -0.596) 4.607 9.694 ( -3.278 3.182 -0.596) 4.607 9.833 ( 4.875 -6.682 2.484) 8.636 9.833 ( 4.875 6.682 2.484) 8.636 17.619 ( -0.019 -0.496 0.082) 0.503 17.619 ( -0.019 0.496 0.082) 0.503 17.686 ( -0.095 -0.228 -0.167) 0.298 17.686 ( -0.095 0.228 -0.167) 0.298 17.969 ( -0.015 -0.477 0.490) 0.684 17.969 ( -0.015 0.477 0.490) 0.684 18.032 ( -0.129 -0.262 -0.120) 0.316 18.032 ( -0.129 0.262 -0.120) 0.316 30.290 ( -0.311 -0.336 1.132) 1.221 30.290 ( -0.311 0.336 1.132) 1.221 30.643 ( 0.779 -1.188 -1.235) 1.882 30.643 ( 0.779 1.188 -1.235) 1.882 49.285 ( -0.170 -3.085 4.939) 5.826 49.285 ( -0.170 3.085 4.939) 5.826 50.304 ( -1.666 -7.675 -6.437) 10.155 50.304 ( -1.666 7.675 -6.437) 10.155 ======================= Grid point 102 (54/128) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -11.582 -9.964 -6.140) 16.466 2.014 ( -11.582 9.964 -6.140) 16.466 2.572 ( -12.939 -14.238 12.837) 23.129 2.572 ( -12.939 14.238 12.837) 23.129 3.018 ( -2.998 -1.715 1.083) 3.620 3.018 ( -2.998 1.715 1.083) 3.620 3.620 ( -0.590 -4.257 -1.584) 4.580 3.620 ( -0.590 4.257 -1.584) 4.580 4.043 ( -1.590 -4.205 11.484) 12.333 4.043 ( -1.590 4.205 11.484) 12.333 4.245 ( 1.484 -4.592 -1.486) 5.049 4.245 ( 1.484 4.592 -1.486) 5.049 4.525 ( 3.578 -6.118 5.197) 8.789 4.525 ( 3.578 6.118 5.197) 8.789 4.751 ( -11.052 -2.133 -0.271) 11.259 4.751 ( -11.052 2.133 -0.271) 11.259 4.997 ( 2.689 -8.183 0.435) 8.624 4.997 ( 2.689 8.183 0.435) 8.624 5.202 ( -3.647 -4.360 -5.294) 7.768 5.202 ( -3.647 4.360 -5.294) 7.768 5.407 ( -1.882 -7.759 0.972) 8.043 5.407 ( -1.882 7.759 0.972) 8.043 5.592 ( -6.694 -3.392 1.513) 7.655 5.592 ( -6.694 3.392 1.513) 7.655 5.675 ( -3.913 -3.016 -5.455) 7.360 5.675 ( -3.913 3.016 -5.455) 7.360 5.962 ( -2.627 -8.584 -1.989) 9.195 5.962 ( -2.627 8.584 -1.989) 9.195 6.368 ( 0.899 -3.949 0.932) 4.156 6.368 ( 0.899 3.949 0.932) 4.156 6.563 ( 0.877 -3.925 -6.840) 7.935 6.563 ( 0.877 3.925 -6.840) 7.935 6.690 ( 5.095 -3.360 1.738) 6.345 6.690 ( 5.095 3.360 1.738) 6.345 6.904 ( 6.498 -1.625 1.915) 6.967 6.904 ( 6.498 1.625 1.915) 6.967 7.051 ( -1.329 -3.262 5.191) 6.273 7.051 ( -1.329 3.262 5.191) 6.273 7.384 ( 5.288 -0.769 -2.962) 6.110 7.384 ( 5.288 0.769 -2.962) 6.110 7.579 ( 3.008 -4.038 -3.998) 6.430 7.579 ( 3.008 4.038 -3.998) 6.430 7.900 ( 4.449 -10.885 4.601) 12.627 7.900 ( 4.449 10.885 4.601) 12.627 8.171 ( 0.840 -7.946 -3.807) 8.851 8.171 ( 0.840 7.946 -3.807) 8.851 8.338 ( 1.064 -8.563 -0.018) 8.629 8.338 ( 1.064 8.563 -0.018) 8.629 8.529 ( -0.396 -4.135 1.271) 4.344 8.529 ( -0.396 4.135 1.271) 4.344 9.012 ( 1.766 -3.922 0.663) 4.352 9.012 ( 1.766 3.922 0.663) 4.352 9.631 ( -1.942 -2.836 -1.415) 3.717 9.631 ( -1.942 2.836 -1.415) 3.717 10.036 ( 12.969 -7.462 4.266) 15.559 10.036 ( 12.969 7.462 4.266) 15.559 17.619 ( -0.081 -0.192 0.090) 0.227 17.619 ( -0.081 0.192 0.090) 0.227 17.682 ( -0.205 -0.581 -0.215) 0.653 17.682 ( -0.205 0.581 -0.215) 0.653 17.972 ( -0.123 -0.541 0.552) 0.783 17.972 ( -0.123 0.541 0.552) 0.783 18.028 ( -0.113 -0.249 -0.167) 0.321 18.028 ( -0.113 0.249 -0.167) 0.321 30.298 ( 0.352 -0.232 1.242) 1.311 30.298 ( 0.352 0.232 1.242) 1.311 30.630 ( -1.360 -1.102 -1.793) 2.506 30.630 ( -1.360 1.102 -1.793) 2.506 49.301 ( -2.200 -2.611 5.210) 6.230 49.301 ( -2.200 2.611 5.210) 6.230 50.178 ( -5.517 -10.189 -7.196) 13.639 50.178 ( -5.517 10.189 -7.196) 13.639 ======================= Grid point 104 (55/128) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.241 -20.859 -3.054) 21.083 1.853 ( -0.241 20.859 -3.054) 21.083 2.449 ( -10.220 -20.370 15.289) 27.443 2.449 ( -10.220 20.370 15.289) 27.443 2.970 ( -2.150 -1.856 -0.846) 2.964 2.970 ( -2.150 1.856 -0.846) 2.964 3.587 ( -3.055 -4.886 -0.404) 5.777 3.587 ( -3.055 4.886 -0.404) 5.777 4.011 ( -5.722 -1.844 -2.166) 6.390 4.011 ( -5.722 1.844 -2.166) 6.390 4.181 ( -9.267 -7.482 9.046) 14.956 4.181 ( -9.267 7.482 9.046) 14.956 4.570 ( 0.539 -4.395 -1.925) 4.828 4.570 ( 0.539 4.395 -1.925) 4.828 4.647 ( -1.369 -6.892 3.609) 7.900 4.647 ( -1.369 6.892 3.609) 7.900 4.809 ( -13.266 -11.863 -1.316) 17.845 4.809 ( -13.266 11.863 -1.316) 17.845 5.202 ( -0.805 -5.099 -1.449) 5.362 5.202 ( -0.805 5.099 -1.449) 5.362 5.339 ( -0.617 -3.604 -5.074) 6.254 5.339 ( -0.617 3.604 -5.074) 6.254 5.516 ( -5.394 -2.787 4.458) 7.533 5.516 ( -5.394 2.787 4.458) 7.533 5.654 ( 4.107 -5.214 1.267) 6.758 5.654 ( 4.107 5.214 1.267) 6.758 5.879 ( -3.483 -6.894 -4.198) 8.791 5.879 ( -3.483 6.894 -4.198) 8.791 6.357 ( -2.007 -4.462 -0.645) 4.935 6.357 ( -2.007 4.462 -0.645) 4.935 6.525 ( 0.311 -4.612 -4.545) 6.483 6.525 ( 0.311 4.612 -4.545) 6.483 6.847 ( 6.663 -2.036 3.669) 7.874 6.847 ( 6.663 2.036 3.669) 7.874 7.005 ( 2.368 -1.724 1.296) 3.203 7.005 ( 2.368 1.724 1.296) 3.203 7.177 ( 8.629 -1.419 4.971) 10.059 7.177 ( 8.629 1.419 4.971) 10.059 7.416 ( 3.176 -3.788 -7.950) 9.362 7.416 ( 3.176 3.788 -7.950) 9.362 7.638 ( 3.489 -7.573 1.349) 8.447 7.638 ( 3.489 7.573 1.349) 8.447 8.017 ( 4.603 -9.199 3.785) 10.961 8.017 ( 4.603 9.199 3.785) 10.961 8.156 ( 1.324 -6.608 -4.985) 8.383 8.156 ( 1.324 6.608 -4.985) 8.383 8.317 ( -1.522 -3.682 -3.047) 5.016 8.317 ( -1.522 3.682 -3.047) 5.016 8.554 ( 0.719 -4.699 3.032) 5.639 8.554 ( 0.719 4.699 3.032) 5.639 9.036 ( 0.438 -2.563 -0.122) 2.603 9.036 ( 0.438 2.563 -0.122) 2.603 9.606 ( -0.077 -1.614 0.263) 1.638 9.606 ( -0.077 1.614 0.263) 1.638 10.375 ( 16.901 -5.793 4.794) 18.498 10.375 ( 16.901 5.793 4.794) 18.498 17.618 ( -0.079 -0.931 0.045) 0.936 17.618 ( -0.079 0.931 0.045) 0.936 17.675 ( -0.285 -1.131 -0.182) 1.181 17.675 ( -0.285 1.131 -0.182) 1.181 17.972 ( -0.288 -0.505 0.561) 0.808 17.972 ( -0.288 0.505 0.561) 0.808 18.025 ( -0.014 -0.194 -0.173) 0.261 18.025 ( -0.014 0.194 -0.173) 0.261 30.323 ( 1.061 -0.375 1.350) 1.758 30.323 ( 1.061 0.375 1.350) 1.758 30.554 ( -4.496 -1.228 -2.701) 5.387 30.554 ( -4.496 1.228 -2.701) 5.387 49.276 ( -3.457 -3.008 2.985) 5.469 49.276 ( -3.457 3.008 2.985) 5.469 50.000 ( -6.671 -10.161 -6.514) 13.791 50.000 ( -6.671 10.161 -6.514) 13.791 ======================= Grid point 106 (56/128) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 6.450 -24.632 1.595) 25.512 1.930 ( 6.450 24.632 1.595) 25.512 2.411 ( -4.740 -24.012 11.362) 26.984 2.411 ( -4.740 24.012 11.362) 26.984 2.918 ( -1.426 -7.187 -1.545) 7.488 2.918 ( -1.426 7.187 -1.545) 7.488 3.448 ( -10.263 -14.615 2.251) 18.000 3.448 ( -10.263 14.615 2.251) 18.000 3.905 ( -0.436 -8.047 -0.256) 8.063 3.905 ( -0.436 8.047 -0.256) 8.063 4.115 ( -7.807 -0.685 3.498) 8.582 4.115 ( -7.807 0.685 3.498) 8.582 4.380 ( -10.058 -4.715 -2.856) 11.469 4.380 ( -10.058 4.715 -2.856) 11.469 4.612 ( 0.673 -2.196 -1.236) 2.608 4.612 ( 0.673 2.196 -1.236) 2.608 4.820 ( 2.763 -3.500 9.139) 10.169 4.820 ( 2.763 3.500 9.139) 10.169 5.097 ( -3.431 -0.803 -8.955) 9.623 5.097 ( -3.431 0.803 -8.955) 9.623 5.314 ( -2.658 -8.568 2.376) 9.280 5.314 ( -2.658 8.568 2.376) 9.280 5.456 ( -2.171 -3.836 1.307) 4.598 5.456 ( -2.171 3.836 1.307) 4.598 5.728 ( -3.873 -2.257 4.385) 6.270 5.728 ( -3.873 2.257 4.385) 6.270 5.841 ( 6.049 -5.163 0.563) 7.973 5.841 ( 6.049 5.163 0.563) 7.973 6.301 ( -1.980 -4.515 -3.643) 6.130 6.301 ( -1.980 4.515 -3.643) 6.130 6.510 ( 1.277 -3.422 -2.863) 4.641 6.510 ( 1.277 3.422 -2.863) 4.641 6.927 ( -0.890 -2.990 1.019) 3.282 6.927 ( -0.890 2.990 1.019) 3.282 7.062 ( 2.775 -4.040 1.225) 5.052 7.062 ( 2.775 4.040 1.225) 5.052 7.336 ( 2.546 -1.225 0.648) 2.898 7.336 ( 2.546 1.225 0.648) 2.898 7.450 ( 7.305 -1.963 -5.298) 9.235 7.450 ( 7.305 1.963 -5.298) 9.235 7.694 ( 0.792 -3.002 1.219) 3.336 7.694 ( 0.792 3.002 1.219) 3.336 8.062 ( 0.665 -5.171 -12.754) 13.778 8.062 ( 0.665 5.171 -12.754) 13.778 8.223 ( 5.442 -1.002 6.055) 8.202 8.223 ( 5.442 1.002 6.055) 8.202 8.252 ( -1.164 -2.967 -3.315) 4.599 8.252 ( -1.164 2.967 -3.315) 4.599 8.582 ( -0.967 -5.424 4.372) 7.033 8.582 ( -0.967 5.424 4.372) 7.033 9.046 ( 0.593 -7.491 1.571) 7.677 9.046 ( 0.593 7.491 1.571) 7.677 9.635 ( 1.262 -2.168 4.194) 4.887 9.635 ( 1.262 2.168 4.194) 4.887 10.697 ( 11.271 -4.127 1.618) 12.112 10.697 ( 11.271 4.127 1.618) 12.112 17.616 ( -0.042 -1.697 -0.045) 1.698 17.616 ( -0.042 1.697 -0.045) 1.698 17.669 ( -0.177 -1.692 0.003) 1.701 17.669 ( -0.177 1.692 0.003) 1.701 17.969 ( -0.360 -0.401 0.541) 0.764 17.969 ( -0.360 0.401 0.541) 0.764 18.024 ( 0.058 -0.082 -0.178) 0.204 18.024 ( 0.058 0.082 -0.178) 0.204 30.347 ( -0.127 -0.808 0.715) 1.087 30.347 ( -0.127 0.808 0.715) 1.087 30.445 ( -3.314 -1.286 -1.797) 3.984 30.445 ( -3.314 1.286 -1.797) 3.984 49.222 ( -2.723 -1.997 -0.126) 3.379 49.222 ( -2.723 1.997 -0.126) 3.379 49.845 ( -4.045 -6.433 -4.886) 9.034 49.845 ( -4.045 6.433 -4.886) 9.034 ======================= Grid point 126 (57/128) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 13.308 0.000 30.537) 33.311 1.369 ( 9.263 0.000 33.396) 34.657 2.372 ( -8.237 0.000 55.883) 56.487 2.830 ( -8.080 0.000 -22.194) 23.619 3.090 ( -1.226 0.000 -18.804) 18.844 3.094 ( -1.402 0.000 6.151) 6.309 3.456 ( 2.739 0.000 5.746) 6.365 3.621 ( -1.045 0.000 -8.643) 8.706 3.895 ( -0.582 0.000 -5.811) 5.840 3.954 ( 3.868 0.000 7.873) 8.772 3.960 ( 1.394 0.000 7.013) 7.151 4.010 ( -11.186 0.000 -5.035) 12.267 4.349 ( 4.572 0.000 5.068) 6.825 4.410 ( -4.153 0.000 7.914) 8.938 4.492 ( 0.634 0.000 1.270) 1.420 4.683 ( -1.657 0.000 1.832) 2.470 4.968 ( -1.209 0.000 -0.289) 1.243 5.060 ( -0.539 0.000 -8.654) 8.670 5.066 ( 1.726 0.000 -0.651) 1.845 5.153 ( -6.210 0.000 0.397) 6.222 5.206 ( 0.956 0.000 11.818) 11.857 5.416 ( 6.340 0.000 5.054) 8.108 5.563 ( 4.494 0.000 -6.953) 8.279 5.607 ( -4.849 0.000 8.788) 10.037 5.711 ( 2.001 0.000 -26.171) 26.247 5.758 ( 6.595 0.000 4.856) 8.190 6.031 ( -1.034 0.000 -11.665) 11.710 6.033 ( -4.604 0.000 6.236) 7.751 6.159 ( 4.173 0.000 6.334) 7.585 6.170 ( 2.557 0.000 -12.106) 12.373 6.489 ( -3.509 0.000 -2.203) 4.143 6.603 ( -3.347 0.000 -7.868) 8.550 6.672 ( -3.840 0.000 -8.219) 9.072 6.696 ( -6.600 0.000 6.937) 9.575 6.811 ( 5.906 0.000 -5.315) 7.946 6.885 ( 1.622 0.000 1.091) 1.955 6.979 ( 2.056 0.000 1.672) 2.650 7.132 ( -3.723 0.000 4.601) 5.919 7.401 ( 6.781 0.000 3.359) 7.568 7.477 ( 1.941 0.000 5.373) 5.713 7.625 ( 3.480 0.000 -0.924) 3.600 7.765 ( 2.818 0.000 7.289) 7.814 7.864 ( -4.420 0.000 -4.208) 6.103 7.914 ( 1.388 0.000 -3.358) 3.633 8.046 ( 3.150 0.000 -6.974) 7.652 8.223 ( -3.441 0.000 6.443) 7.304 8.272 ( -2.748 0.000 -4.531) 5.299 8.447 ( -1.328 0.000 5.465) 5.624 8.554 ( 2.049 0.000 -5.701) 6.058 8.618 ( 0.815 0.000 -6.222) 6.275 9.424 ( 1.431 0.000 1.248) 1.899 9.533 ( -0.528 0.000 -2.046) 2.113 9.754 ( 3.870 0.000 10.608) 11.292 10.224 ( -0.025 0.000 17.352) 17.352 10.470 ( -8.086 0.000 -9.857) 12.749 10.971 ( -9.534 0.000 -7.249) 11.977 17.570 ( 1.647 0.000 0.128) 1.652 17.578 ( -0.645 0.000 -0.128) 0.657 17.692 ( -0.043 0.000 0.357) 0.360 17.709 ( 0.120 0.000 -0.168) 0.206 17.973 ( -1.387 0.000 0.755) 1.579 17.991 ( -0.034 0.000 0.594) 0.595 18.014 ( 0.093 0.000 -0.410) 0.421 18.024 ( 0.375 0.000 -0.382) 0.535 30.322 ( -1.209 0.000 0.284) 1.242 30.343 ( 1.167 0.000 -0.286) 1.202 30.395 ( -0.941 0.000 0.392) 1.020 30.424 ( 0.462 0.000 -0.515) 0.692 49.085 ( -6.154 0.000 0.946) 6.227 49.168 ( 5.336 0.000 -1.597) 5.570 49.397 ( 29.086 0.000 0.961) 29.102 49.510 ( -5.902 0.000 -2.496) 6.408 ======================= Grid point 127 (58/128) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 21.468 0.000 27.818) 35.139 1.872 ( 16.219 0.000 26.436) 31.014 2.597 ( 2.868 0.000 -21.807) 21.994 2.731 ( 9.569 0.000 15.422) 18.149 2.968 ( 0.934 0.000 6.513) 6.579 3.128 ( -0.391 0.000 6.450) 6.462 3.584 ( -2.347 0.000 -5.267) 5.766 3.599 ( 5.130 0.000 8.559) 9.979 3.645 ( -6.312 0.000 -10.345) 12.118 3.947 ( 0.811 0.000 2.462) 2.592 4.018 ( 2.520 0.000 0.416) 2.554 4.115 ( 1.754 0.000 16.114) 16.209 4.377 ( -4.740 0.000 7.746) 9.081 4.427 ( -8.286 0.000 1.218) 8.375 4.566 ( 11.740 0.000 4.616) 12.615 4.697 ( -6.703 0.000 5.213) 8.491 4.862 ( 4.578 0.000 -11.815) 12.671 4.972 ( -10.445 0.000 0.094) 10.446 5.020 ( 1.576 0.000 -16.720) 16.795 5.040 ( 2.653 0.000 -3.781) 4.619 5.289 ( -0.497 0.000 7.108) 7.126 5.503 ( -4.781 0.000 -6.975) 8.457 5.573 ( 2.133 0.000 2.949) 3.640 5.630 ( 3.243 0.000 -18.257) 18.543 5.653 ( 3.468 0.000 9.355) 9.977 5.916 ( -1.381 0.000 -8.984) 9.089 5.923 ( 5.950 0.000 -1.636) 6.171 5.994 ( -4.036 0.000 10.057) 10.836 6.154 ( 4.727 0.000 -7.122) 8.548 6.280 ( -2.062 0.000 0.989) 2.287 6.365 ( -5.855 0.000 -8.107) 10.001 6.401 ( -0.551 0.000 7.975) 7.994 6.639 ( 0.132 0.000 -4.155) 4.157 6.692 ( 6.315 0.000 0.308) 6.323 6.770 ( -2.993 0.000 -7.594) 8.163 6.986 ( -1.201 0.000 3.162) 3.383 7.075 ( 4.056 0.000 7.122) 8.196 7.144 ( 4.341 0.000 1.448) 4.576 7.454 ( -4.568 0.000 4.501) 6.413 7.521 ( 0.562 0.000 3.229) 3.278 7.697 ( 0.786 0.000 -0.790) 1.114 7.838 ( 6.351 0.000 -5.129) 8.164 7.853 ( 1.360 0.000 -10.241) 10.331 7.877 ( 0.667 0.000 8.842) 8.867 8.103 ( -9.265 0.000 -7.327) 11.812 8.113 ( 5.366 0.000 -4.824) 7.216 8.222 ( -2.737 0.000 5.743) 6.362 8.446 ( -3.122 0.000 5.938) 6.709 8.518 ( 1.437 0.000 -11.378) 11.468 8.586 ( -1.455 0.000 0.997) 1.764 9.453 ( 0.560 0.000 1.130) 1.261 9.499 ( -1.291 0.000 -2.250) 2.594 9.865 ( -1.426 0.000 11.554) 11.641 10.084 ( -21.759 0.000 -5.139) 22.358 10.320 ( -4.754 0.000 18.729) 19.323 10.683 ( -12.715 0.000 -6.185) 14.140 17.567 ( -0.222 0.000 -0.347) 0.412 17.601 ( 1.411 0.000 -0.144) 1.418 17.691 ( -0.285 0.000 0.320) 0.429 17.708 ( -0.088 0.000 -0.240) 0.256 17.958 ( -0.705 0.000 1.017) 1.237 17.995 ( -0.034 0.000 0.515) 0.516 18.014 ( 0.097 0.000 -0.216) 0.236 18.028 ( 0.349 0.000 -0.398) 0.529 30.312 ( -0.096 0.000 -0.061) 0.114 30.373 ( 1.981 0.000 -0.257) 1.998 30.381 ( -0.630 0.000 -0.064) 0.634 30.424 ( -0.022 0.000 0.114) 0.116 49.011 ( -1.639 0.000 -0.092) 1.642 49.333 ( 11.692 0.000 -0.466) 11.701 49.394 ( -2.052 0.000 -4.770) 5.193 49.990 ( 29.537 0.000 -13.546) 32.495 ======================= Grid point 128 (59/128) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 13.884 0.000 11.268) 17.881 2.343 ( 9.949 0.000 21.942) 24.092 2.641 ( 14.248 0.000 -9.745) 17.262 2.749 ( 3.717 0.000 -14.056) 14.540 3.179 ( 0.322 0.000 7.398) 7.405 3.312 ( 5.554 0.000 5.423) 7.763 3.333 ( -6.312 0.000 4.757) 7.904 3.717 ( 0.056 0.000 2.704) 2.704 3.737 ( 8.560 0.000 -2.670) 8.966 4.046 ( -1.993 0.000 8.486) 8.717 4.120 ( 15.607 0.000 12.048) 19.717 4.248 ( -11.907 0.000 7.109) 13.868 4.253 ( -1.313 0.000 14.259) 14.319 4.340 ( -4.086 0.000 5.663) 6.984 4.517 ( -6.885 0.000 1.009) 6.959 4.734 ( -1.226 0.000 -2.196) 2.515 4.892 ( 7.447 0.000 1.978) 7.705 4.947 ( 6.718 0.000 -7.801) 10.295 4.999 ( 8.130 0.000 -9.581) 12.565 5.130 ( 9.225 0.000 -3.427) 9.841 5.309 ( -1.020 0.000 2.647) 2.836 5.311 ( -5.199 0.000 -10.368) 11.599 5.511 ( -0.171 0.000 -15.434) 15.435 5.624 ( 1.857 0.000 2.272) 2.934 5.722 ( -3.046 0.000 7.806) 8.379 5.845 ( 0.913 0.000 -10.585) 10.624 5.900 ( -3.403 0.000 -2.209) 4.057 6.028 ( -3.154 0.000 -2.991) 4.347 6.163 ( -2.050 0.000 9.016) 9.247 6.225 ( -5.219 0.000 -4.195) 6.696 6.287 ( 9.869 0.000 -1.700) 10.015 6.563 ( -8.612 0.000 -5.056) 9.986 6.607 ( 8.342 0.000 5.579) 10.035 6.626 ( -1.219 0.000 -2.870) 3.118 6.906 ( 12.582 0.000 0.405) 12.588 6.984 ( 0.059 0.000 0.194) 0.203 7.169 ( -2.772 0.000 -1.044) 2.962 7.224 ( 3.780 0.000 7.929) 8.784 7.349 ( -8.264 0.000 4.228) 9.283 7.557 ( -0.334 0.000 2.830) 2.849 7.590 ( -14.459 0.000 -2.454) 14.666 7.783 ( 0.156 0.000 -9.431) 9.432 7.819 ( -4.162 0.000 1.299) 4.360 7.974 ( 4.071 0.000 -9.132) 9.998 7.975 ( 2.037 0.000 7.688) 7.954 8.148 ( 3.279 0.000 -8.088) 8.727 8.189 ( -3.835 0.000 3.442) 5.153 8.428 ( -2.737 0.000 5.949) 6.548 8.472 ( 2.163 0.000 -7.902) 8.193 8.586 ( 0.711 0.000 0.043) 0.712 9.429 ( -5.791 0.000 -2.231) 6.206 9.461 ( -0.581 0.000 1.144) 1.283 9.672 ( -14.373 0.000 -2.216) 14.543 9.862 ( -7.109 0.000 8.961) 11.439 10.321 ( -8.680 0.000 16.962) 19.054 10.397 ( -11.360 0.000 -5.914) 12.808 17.565 ( 0.318 0.000 -0.344) 0.469 17.626 ( 1.250 0.000 -0.012) 1.250 17.687 ( -0.414 0.000 0.310) 0.517 17.701 ( -0.471 0.000 -0.419) 0.630 17.959 ( -0.150 0.000 1.084) 1.094 17.997 ( -0.119 0.000 0.401) 0.418 18.013 ( 0.001 0.000 -0.257) 0.257 18.032 ( 0.227 0.000 -0.235) 0.326 30.312 ( 0.411 0.000 -0.989) 1.071 30.371 ( -0.197 0.000 -0.212) 0.290 30.398 ( 0.367 0.000 0.249) 0.443 30.436 ( 0.951 0.000 0.171) 0.966 49.021 ( 2.332 0.000 1.017) 2.544 49.386 ( 4.020 0.000 -2.174) 4.570 49.588 ( 13.985 0.000 -0.945) 14.017 50.301 ( 14.817 0.000 -15.603) 21.518 ======================= Grid point 129 (60/128) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 7.758 0.000 -6.655) 10.221 2.613 ( 11.533 0.000 2.760) 11.858 2.818 ( 0.869 0.000 18.353) 18.373 2.935 ( 16.421 0.000 0.110) 16.421 3.185 ( -6.643 0.000 8.181) 10.539 3.233 ( -1.522 0.000 6.629) 6.801 3.441 ( 2.817 0.000 -3.036) 4.141 3.646 ( -4.123 0.000 -1.549) 4.404 3.795 ( -0.991 0.000 1.216) 1.568 4.044 ( -8.572 0.000 11.317) 14.196 4.108 ( -7.532 0.000 8.331) 11.231 4.217 ( -7.786 0.000 5.146) 9.333 4.348 ( 0.169 0.000 7.965) 7.967 4.358 ( 5.982 0.000 -4.097) 7.250 4.774 ( 3.160 0.000 7.995) 8.597 4.865 ( 26.223 0.000 18.251) 31.949 4.988 ( 1.870 0.000 -2.399) 3.041 5.006 ( 4.800 0.000 -4.774) 6.770 5.089 ( 2.517 0.000 -5.163) 5.744 5.258 ( 3.311 0.000 -5.729) 6.617 5.293 ( 0.139 0.000 1.041) 1.050 5.299 ( 8.468 0.000 -0.196) 8.470 5.486 ( 11.897 0.000 -18.623) 22.099 5.680 ( 2.089 0.000 4.221) 4.710 5.743 ( 3.681 0.000 3.815) 5.301 5.787 ( 0.364 0.000 -7.266) 7.275 5.804 ( -5.469 0.000 1.805) 5.759 5.941 ( -0.316 0.000 -5.004) 5.014 6.030 ( -8.258 0.000 -8.640) 11.951 6.219 ( -1.976 0.000 3.658) 4.158 6.309 ( -5.073 0.000 -8.735) 10.101 6.492 ( 1.028 0.000 5.270) 5.369 6.634 ( 5.719 0.000 -3.324) 6.615 6.768 ( 4.999 0.000 1.738) 5.292 6.898 ( -18.344 0.000 -9.699) 20.750 6.951 ( -3.682 0.000 -2.208) 4.293 7.090 ( -2.481 0.000 -0.535) 2.538 7.181 ( 2.354 0.000 -5.848) 6.304 7.296 ( -9.341 0.000 5.555) 10.868 7.357 ( -3.412 0.000 10.091) 10.652 7.512 ( -6.284 0.000 2.186) 6.653 7.725 ( -0.104 0.000 -4.753) 4.754 7.831 ( -2.247 0.000 2.092) 3.070 7.970 ( 1.095 0.000 2.135) 2.399 8.064 ( 4.607 0.000 -6.379) 7.869 8.140 ( 0.341 0.000 1.868) 1.898 8.167 ( 0.586 0.000 4.039) 4.081 8.453 ( 1.812 0.000 3.938) 4.335 8.481 ( 3.146 0.000 -5.275) 6.142 8.596 ( 1.513 0.000 -3.212) 3.551 9.209 ( -11.761 0.000 -2.597) 12.045 9.451 ( -1.216 0.000 1.045) 1.604 9.537 ( -1.142 0.000 -1.626) 1.986 9.724 ( -11.619 0.000 3.660) 12.182 10.180 ( -6.467 0.000 -3.186) 7.209 10.260 ( -9.128 0.000 13.500) 16.297 17.574 ( 0.748 0.000 -0.081) 0.752 17.650 ( 1.235 0.000 0.029) 1.235 17.680 ( -0.482 0.000 0.310) 0.573 17.683 ( -0.882 0.000 -0.609) 1.071 17.965 ( -0.115 0.000 0.987) 0.993 17.998 ( -0.086 0.000 0.456) 0.464 18.010 ( -0.003 0.000 -0.330) 0.330 18.033 ( 0.064 0.000 -0.150) 0.163 30.317 ( 1.264 0.000 -1.355) 1.853 30.373 ( 0.487 0.000 -0.131) 0.504 30.399 ( -0.580 0.000 0.602) 0.836 30.447 ( 0.004 0.000 -0.015) 0.016 49.113 ( 4.858 0.000 4.041) 6.319 49.493 ( 5.584 0.000 2.899) 6.291 49.827 ( 10.868 0.000 -2.913) 11.252 50.386 ( 7.105 0.000 -14.524) 16.168 ======================= Grid point 130 (61/128) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -0.398 0.000 3.490) 3.512 2.777 ( -1.036 0.000 4.438) 4.558 2.888 ( -3.646 0.000 8.545) 9.290 3.135 ( 1.487 0.000 -2.798) 3.168 3.213 ( -1.986 0.000 4.423) 4.849 3.260 ( 4.186 0.000 19.801) 20.238 3.473 ( 3.946 0.000 -2.668) 4.764 3.712 ( 13.039 0.000 1.027) 13.080 3.776 ( 0.274 0.000 -2.136) 2.154 3.884 ( -12.685 0.000 7.289) 14.630 4.084 ( -2.448 0.000 10.938) 11.209 4.166 ( -0.373 0.000 6.186) 6.197 4.391 ( -3.220 0.000 8.660) 9.240 4.520 ( 10.461 0.000 1.212) 10.531 4.892 ( -2.330 0.000 9.148) 9.440 4.957 ( -3.518 0.000 7.143) 7.963 5.000 ( -4.353 0.000 -3.204) 5.405 5.137 ( 7.850 0.000 -6.863) 10.427 5.170 ( -2.273 0.000 2.680) 3.514 5.287 ( 4.496 0.000 -1.855) 4.864 5.352 ( 3.874 0.000 0.722) 3.941 5.439 ( 2.765 0.000 -2.088) 3.465 5.489 ( -4.709 0.000 -8.361) 9.596 5.691 ( -9.982 0.000 -0.281) 9.986 5.737 ( -13.871 0.000 -2.677) 14.127 5.773 ( 8.628 0.000 -17.006) 19.069 5.889 ( -1.937 0.000 3.591) 4.080 5.965 ( 10.599 0.000 -7.128) 12.773 6.014 ( 10.547 0.000 -2.914) 10.942 6.071 ( 12.522 0.000 -2.507) 12.771 6.175 ( -2.040 0.000 -3.061) 3.678 6.505 ( -0.980 0.000 4.233) 4.345 6.569 ( -5.438 0.000 0.338) 5.448 6.763 ( 6.196 0.000 -2.527) 6.691 6.820 ( -0.050 0.000 -1.558) 1.559 6.849 ( 0.024 0.000 -9.106) 9.106 7.044 ( -4.488 0.000 1.609) 4.768 7.150 ( -2.955 0.000 1.385) 3.263 7.254 ( 0.086 0.000 -0.379) 0.388 7.298 ( -6.340 0.000 2.948) 6.992 7.394 ( -4.908 0.000 0.596) 4.944 7.717 ( 0.704 0.000 0.984) 1.209 7.720 ( -6.743 0.000 0.039) 6.743 8.002 ( -1.841 0.000 -12.319) 12.456 8.007 ( -1.741 0.000 6.646) 6.871 8.209 ( 0.926 0.000 3.727) 3.840 8.286 ( 2.250 0.000 9.292) 9.560 8.502 ( 2.537 0.000 -0.147) 2.541 8.592 ( 9.618 0.000 5.857) 11.261 8.618 ( 5.380 0.000 -8.058) 9.689 8.998 ( -6.558 0.000 -4.045) 7.706 9.418 ( -4.647 0.000 -1.373) 4.846 9.498 ( -9.936 0.000 0.413) 9.944 9.528 ( 0.892 0.000 -1.439) 1.693 10.124 ( 2.023 0.000 0.790) 2.171 10.174 ( -8.418 0.000 9.192) 12.464 17.592 ( 0.851 0.000 0.317) 0.908 17.658 ( -1.140 0.000 -0.783) 1.383 17.673 ( -0.499 0.000 0.249) 0.557 17.673 ( 1.077 0.000 -0.017) 1.077 17.967 ( -0.354 0.000 0.777) 0.854 18.002 ( 0.025 0.000 0.649) 0.650 18.008 ( 0.036 0.000 -0.386) 0.387 18.033 ( 0.045 0.000 -0.124) 0.132 30.346 ( 2.440 0.000 -0.463) 2.483 30.379 ( -1.678 0.000 0.131) 1.683 30.385 ( 0.827 0.000 -0.067) 0.829 30.440 ( -0.629 0.000 -0.276) 0.687 49.261 ( 5.284 0.000 7.677) 9.320 49.607 ( 1.735 0.000 6.112) 6.353 49.917 ( 1.064 0.000 -6.526) 6.613 50.410 ( 7.130 0.000 -13.320) 15.109 ======================= Grid point 131 (62/128) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -22.991 0.000 19.671) 30.258 2.537 ( -22.819 0.000 -0.344) 22.822 3.021 ( 11.573 0.000 1.666) 11.692 3.129 ( 1.501 0.000 -1.888) 2.412 3.231 ( -0.841 0.000 6.030) 6.088 3.494 ( 2.728 0.000 4.254) 5.054 3.593 ( 9.268 0.000 10.317) 13.868 3.628 ( -13.201 0.000 5.903) 14.460 3.762 ( 0.824 0.000 -5.837) 5.895 4.086 ( 12.559 0.000 -3.552) 13.052 4.187 ( 3.093 0.000 14.657) 14.980 4.303 ( 10.057 0.000 7.146) 12.337 4.376 ( -3.583 0.000 10.211) 10.821 4.660 ( -20.939 0.000 -9.272) 22.900 4.731 ( -3.013 0.000 4.886) 5.740 4.802 ( -6.505 0.000 4.360) 7.831 4.937 ( -8.141 0.000 6.326) 10.310 5.074 ( -17.514 0.000 -1.822) 17.609 5.170 ( 0.329 0.000 -0.375) 0.499 5.180 ( -3.985 0.000 -4.531) 6.034 5.312 ( -6.897 0.000 0.183) 6.899 5.330 ( 2.542 0.000 -0.929) 2.706 5.462 ( 5.065 0.000 -0.993) 5.161 5.506 ( 1.281 0.000 0.450) 1.358 5.610 ( -1.962 0.000 -0.152) 1.968 5.840 ( 10.307 0.000 -12.824) 16.452 5.852 ( -6.169 0.000 8.998) 10.910 6.111 ( 8.057 0.000 -13.848) 16.021 6.159 ( 15.488 0.000 -10.275) 18.586 6.257 ( 7.839 0.000 1.407) 7.964 6.398 ( 3.907 0.000 -2.765) 4.786 6.520 ( -1.870 0.000 3.660) 4.110 6.542 ( 2.704 0.000 -2.369) 3.595 6.734 ( -1.448 0.000 -5.069) 5.271 6.814 ( 1.293 0.000 -2.365) 2.695 6.896 ( 4.380 0.000 -9.028) 10.034 6.950 ( -1.896 0.000 3.142) 3.670 7.114 ( -1.533 0.000 1.755) 2.330 7.232 ( -1.959 0.000 -4.273) 4.701 7.261 ( 3.720 0.000 3.418) 5.052 7.364 ( 0.663 0.000 1.161) 1.336 7.646 ( -0.944 0.000 4.874) 4.964 7.752 ( 0.005 0.000 4.035) 4.035 7.835 ( -5.725 0.000 -9.596) 11.174 8.047 ( 0.393 0.000 9.268) 9.276 8.206 ( 0.183 0.000 -2.771) 2.777 8.342 ( -1.231 0.000 5.827) 5.956 8.592 ( 5.580 0.000 -4.208) 6.989 8.699 ( 7.871 0.000 -0.387) 7.881 8.723 ( -5.254 0.000 0.100) 5.255 9.045 ( 14.960 0.000 5.466) 15.927 9.161 ( -13.403 0.000 -7.062) 15.150 9.445 ( -0.862 0.000 1.229) 1.501 9.545 ( 1.833 0.000 -0.938) 2.059 10.078 ( -6.877 0.000 5.734) 8.954 10.259 ( 9.432 0.000 3.174) 9.951 17.610 ( 0.483 0.000 0.735) 0.879 17.628 ( -1.234 0.000 -0.850) 1.498 17.666 ( -0.292 0.000 0.063) 0.299 17.691 ( 0.794 0.000 -0.172) 0.812 17.966 ( -0.342 0.000 0.831) 0.899 18.006 ( -0.136 0.000 0.636) 0.650 18.006 ( 0.131 0.000 -0.393) 0.414 18.033 ( 0.041 0.000 -0.177) 0.181 30.347 ( -1.392 0.000 -0.010) 1.392 30.395 ( 1.956 0.000 0.647) 2.060 30.401 ( 0.905 0.000 0.025) 0.906 30.414 ( -1.298 0.000 -1.536) 2.011 49.419 ( 3.168 0.000 11.012) 11.459 49.639 ( -3.072 0.000 5.861) 6.618 49.784 ( -7.416 0.000 -9.020) 11.677 50.446 ( 6.333 0.000 -15.201) 16.467 ======================= Grid point 132 (63/128) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -30.899 0.000 1.212) 30.923 2.132 ( -27.416 0.000 22.685) 35.585 3.144 ( 0.886 0.000 -2.860) 2.994 3.226 ( -6.630 0.000 3.477) 7.487 3.240 ( -2.557 0.000 4.394) 5.083 3.353 ( -11.818 0.000 -0.852) 11.849 3.487 ( -6.422 0.000 10.917) 12.666 3.690 ( 0.128 0.000 -6.011) 6.013 3.918 ( 10.636 0.000 10.763) 15.132 4.049 ( -14.703 0.000 -4.091) 15.262 4.091 ( -2.498 0.000 -9.599) 9.919 4.319 ( -4.824 0.000 4.914) 6.886 4.406 ( 6.270 0.000 13.384) 14.780 4.606 ( -0.150 0.000 9.590) 9.591 4.727 ( -6.319 0.000 0.801) 6.370 4.748 ( -5.052 0.000 -0.575) 5.085 4.815 ( -9.335 0.000 0.103) 9.336 4.930 ( -2.655 0.000 1.262) 2.940 4.951 ( 0.724 0.000 1.101) 1.318 5.164 ( 0.639 0.000 -4.106) 4.155 5.255 ( 0.715 0.000 0.444) 0.841 5.344 ( -5.506 0.000 6.307) 8.372 5.445 ( -3.528 0.000 -4.147) 5.445 5.663 ( 12.725 0.000 3.559) 13.214 5.671 ( 5.448 0.000 -3.545) 6.500 5.805 ( -5.718 0.000 13.241) 14.423 6.001 ( 10.495 0.000 -3.788) 11.158 6.056 ( -3.818 0.000 -9.222) 9.981 6.333 ( -4.499 0.000 -3.609) 5.768 6.361 ( 4.163 0.000 -7.126) 8.252 6.398 ( 11.750 0.000 -10.445) 15.721 6.503 ( -0.597 0.000 2.753) 2.817 6.538 ( 7.311 0.000 -10.902) 13.127 6.694 ( 1.340 0.000 -4.419) 4.618 6.784 ( -0.235 0.000 -4.639) 4.645 6.873 ( 1.145 0.000 -1.809) 2.141 7.040 ( 4.505 0.000 2.693) 5.248 7.093 ( -6.396 0.000 -4.507) 7.825 7.134 ( 0.236 0.000 3.182) 3.190 7.427 ( 4.275 0.000 2.890) 5.160 7.438 ( 6.502 0.000 3.528) 7.397 7.631 ( -8.777 0.000 -3.405) 9.414 7.780 ( 0.798 0.000 -2.096) 2.243 7.787 ( 11.099 0.000 3.896) 11.763 8.170 ( 3.512 0.000 11.047) 11.592 8.227 ( 2.939 0.000 1.614) 3.353 8.358 ( -1.201 0.000 5.730) 5.854 8.548 ( -8.445 0.000 -5.817) 10.254 8.606 ( 1.345 0.000 -10.753) 10.836 8.846 ( -9.214 0.000 -9.440) 13.192 8.923 ( 10.285 0.000 4.842) 11.368 9.418 ( 12.286 0.000 6.976) 14.129 9.445 ( 0.076 0.000 0.959) 0.962 9.622 ( 8.724 0.000 3.798) 9.515 10.009 ( -4.025 0.000 4.941) 6.373 10.503 ( 12.217 0.000 3.105) 12.605 17.598 ( -1.187 0.000 -0.918) 1.500 17.617 ( -0.426 0.000 0.880) 0.977 17.666 ( 0.342 0.000 -0.014) 0.342 17.702 ( 0.462 0.000 -0.275) 0.538 17.968 ( -0.142 0.000 1.017) 1.027 18.005 ( -0.385 0.000 0.574) 0.691 18.008 ( 0.287 0.000 -0.327) 0.435 18.031 ( -0.067 0.000 -0.353) 0.359 30.326 ( -0.612 0.000 -1.155) 1.307 30.376 ( -0.705 0.000 -1.411) 1.577 30.405 ( -0.509 0.000 0.702) 0.867 30.432 ( 0.749 0.000 0.539) 0.923 49.504 ( -6.384 0.000 12.713) 14.226 49.535 ( -10.091 0.000 -8.852) 13.424 49.616 ( -0.357 0.000 3.473) 3.491 50.371 ( -0.769 0.000 -22.624) 22.637 ======================= Grid point 133 (64/128) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -29.535 0.000 11.142) 31.567 1.713 ( -31.805 0.000 14.584) 34.989 2.605 ( -42.275 0.000 28.633) 51.059 3.114 ( -2.280 0.000 0.269) 2.295 3.200 ( -2.494 0.000 -0.151) 2.498 3.364 ( -0.126 0.000 -8.159) 8.160 3.547 ( 1.523 0.000 12.810) 12.900 3.708 ( 5.605 0.000 -5.275) 7.696 3.935 ( 2.097 0.000 -7.295) 7.590 3.970 ( -2.953 0.000 -4.654) 5.512 4.090 ( -19.410 0.000 -11.773) 22.702 4.221 ( 10.283 0.000 10.915) 14.996 4.399 ( -10.286 0.000 2.222) 10.523 4.520 ( -9.715 0.000 3.332) 10.270 4.546 ( -9.421 0.000 10.346) 13.993 4.631 ( 3.961 0.000 3.593) 5.348 4.917 ( 2.693 0.000 2.881) 3.944 4.970 ( -3.122 0.000 -1.057) 3.296 5.012 ( 5.728 0.000 7.383) 9.344 5.159 ( 0.695 0.000 1.676) 1.814 5.197 ( -5.847 0.000 -1.867) 6.138 5.345 ( -5.778 0.000 -0.827) 5.837 5.357 ( 9.259 0.000 -4.781) 10.420 5.687 ( 0.858 0.000 -8.241) 8.286 5.831 ( -4.818 0.000 10.025) 11.122 5.926 ( -3.848 0.000 4.938) 6.260 5.940 ( 12.893 0.000 -4.482) 13.650 6.113 ( 6.300 0.000 -10.016) 11.832 6.191 ( -7.996 0.000 3.719) 8.819 6.300 ( -0.251 0.000 -18.339) 18.341 6.366 ( 0.750 0.000 -5.781) 5.829 6.592 ( 5.879 0.000 2.640) 6.444 6.702 ( 4.644 0.000 -6.152) 7.708 6.764 ( 1.800 0.000 -5.570) 5.854 6.829 ( 15.468 0.000 -3.639) 15.890 6.892 ( 2.471 0.000 3.926) 4.639 6.906 ( -8.839 0.000 -1.069) 8.904 7.143 ( 3.770 0.000 3.024) 4.833 7.202 ( 2.948 0.000 4.062) 5.019 7.413 ( -10.860 0.000 -3.457) 11.397 7.533 ( 2.243 0.000 1.642) 2.780 7.560 ( 4.806 0.000 5.411) 7.237 7.778 ( 1.235 0.000 -1.888) 2.256 8.050 ( 11.263 0.000 0.688) 11.284 8.270 ( -2.041 0.000 0.361) 2.073 8.320 ( 0.215 0.000 4.638) 4.643 8.338 ( -5.537 0.000 -0.575) 5.567 8.400 ( -0.557 0.000 5.731) 5.758 8.444 ( -4.994 0.000 -8.285) 9.674 8.696 ( 3.233 0.000 -16.165) 16.485 9.186 ( 10.303 0.000 6.693) 12.286 9.469 ( 1.635 0.000 1.888) 2.498 9.535 ( 1.875 0.000 -0.490) 1.938 10.008 ( -0.823 0.000 7.563) 7.607 10.021 ( 21.079 0.000 11.775) 24.145 10.760 ( 11.777 0.000 2.060) 11.956 17.568 ( -1.093 0.000 -0.808) 1.359 17.608 ( -0.909 0.000 0.546) 1.061 17.676 ( 0.539 0.000 0.225) 0.584 17.706 ( 0.237 0.000 -0.280) 0.366 17.975 ( 0.081 0.000 1.057) 1.061 18.001 ( -0.520 0.000 0.626) 0.814 18.012 ( 0.416 0.000 -0.270) 0.496 18.025 ( -0.166 0.000 -0.537) 0.562 30.302 ( 0.019 0.000 -1.791) 1.791 30.381 ( 1.395 0.000 -0.195) 1.408 30.388 ( -1.696 0.000 0.701) 1.836 30.433 ( -0.924 0.000 0.537) 1.069 49.290 ( -7.987 0.000 -6.965) 10.597 49.390 ( -10.753 0.000 6.929) 12.792 49.654 ( -1.174 0.000 5.196) 5.327 50.003 ( -17.183 0.000 -31.429) 35.820 ======================= Grid point 134 (65/128) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -12.587 0.000 28.310) 30.982 1.168 ( -28.435 0.000 17.713) 33.501 2.268 ( -24.946 0.000 53.391) 58.932 3.064 ( -2.608 0.000 -1.842) 3.193 3.151 ( -3.941 0.000 -2.808) 4.839 3.246 ( -1.804 0.000 -14.394) 14.506 3.514 ( -12.796 0.000 -2.824) 13.104 3.720 ( -0.006 0.000 -8.823) 8.823 3.796 ( 2.450 0.000 7.344) 7.742 3.915 ( 0.820 0.000 -5.473) 5.534 3.930 ( -0.069 0.000 -0.058) 0.090 4.278 ( -10.593 0.000 -5.567) 11.966 4.306 ( -3.329 0.000 4.326) 5.459 4.451 ( 1.924 0.000 8.260) 8.481 4.454 ( -6.948 0.000 8.669) 11.110 4.721 ( 0.099 0.000 -1.427) 1.430 4.888 ( 1.000 0.000 5.526) 5.616 4.993 ( 2.161 0.000 6.038) 6.413 5.120 ( -0.599 0.000 -2.853) 2.915 5.165 ( 3.336 0.000 4.117) 5.299 5.175 ( -3.934 0.000 2.620) 4.727 5.305 ( 2.692 0.000 3.605) 4.499 5.484 ( 8.146 0.000 -7.186) 10.863 5.624 ( 0.684 0.000 -6.525) 6.561 5.735 ( -10.444 0.000 13.661) 17.196 5.919 ( 1.703 0.000 -30.200) 30.248 6.002 ( 3.288 0.000 6.708) 7.470 6.106 ( -5.177 0.000 7.132) 8.813 6.130 ( -0.932 0.000 -9.662) 9.707 6.206 ( 4.207 0.000 -12.325) 13.023 6.453 ( 11.297 0.000 -0.635) 11.314 6.638 ( -8.827 0.000 -4.158) 9.757 6.699 ( 0.260 0.000 7.318) 7.323 6.735 ( 3.626 0.000 -5.466) 6.560 6.840 ( -0.915 0.000 -7.140) 7.198 6.898 ( 5.941 0.000 1.020) 6.028 7.079 ( -9.447 0.000 -3.363) 10.028 7.122 ( -0.454 0.000 3.683) 3.711 7.283 ( 2.725 0.000 1.976) 3.366 7.327 ( 6.405 0.000 7.884) 10.158 7.580 ( 1.797 0.000 1.177) 2.148 7.668 ( 2.683 0.000 4.213) 4.995 7.833 ( 4.395 0.000 1.967) 4.815 8.031 ( -7.364 0.000 -7.320) 10.383 8.158 ( -6.107 0.000 -9.487) 11.283 8.260 ( 0.984 0.000 1.195) 1.547 8.297 ( -1.380 0.000 0.384) 1.433 8.425 ( -1.360 0.000 5.789) 5.947 8.503 ( 4.126 0.000 3.135) 5.182 8.651 ( 4.014 0.000 -15.244) 15.764 9.368 ( 3.793 0.000 2.812) 4.722 9.548 ( 0.438 0.000 -1.467) 1.531 9.575 ( 6.127 0.000 7.066) 9.353 10.090 ( 1.135 0.000 12.684) 12.735 10.462 ( 14.469 0.000 -1.657) 14.563 10.996 ( 10.554 0.000 -1.431) 10.650 17.550 ( -0.108 0.000 0.104) 0.150 17.593 ( -0.888 0.000 0.184) 0.907 17.687 ( 0.286 0.000 0.356) 0.457 17.708 ( 0.163 0.000 -0.211) 0.266 17.984 ( -0.022 0.000 0.755) 0.755 17.994 ( -0.753 0.000 0.560) 0.938 18.017 ( 0.005 0.000 -0.679) 0.679 18.019 ( 0.337 0.000 -0.191) 0.387 30.316 ( 1.919 0.000 -0.411) 1.963 30.354 ( -2.101 0.000 0.440) 2.146 30.409 ( 1.423 0.000 -0.485) 1.504 30.413 ( -1.330 0.000 0.602) 1.460 49.145 ( -1.895 0.000 -3.972) 4.401 49.226 ( -9.599 0.000 3.467) 10.205 49.340 ( -21.899 0.000 -12.700) 25.315 49.624 ( -4.787 0.000 2.020) 5.196 ======================= Grid point 135 (66/128) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.320 12.234 26.361) 29.063 1.552 ( 13.703 16.797 28.195) 35.565 2.625 ( -4.349 20.350 45.129) 49.696 2.836 ( -6.672 -0.820 -17.298) 18.558 2.995 ( -3.432 -6.372 -3.342) 7.972 3.074 ( -0.634 -3.710 -3.203) 4.942 3.400 ( 5.533 -6.841 1.624) 8.947 3.551 ( 0.887 -5.075 -6.084) 7.972 3.723 ( -6.659 -8.358 -1.337) 10.770 3.846 ( 2.021 -4.380 -1.704) 5.116 3.889 ( -4.849 -4.120 0.415) 6.377 4.245 ( -2.147 9.060 0.390) 9.319 4.361 ( 2.042 -0.297 6.070) 6.411 4.437 ( -6.049 3.747 7.427) 10.285 4.520 ( 3.182 1.974 0.650) 3.800 4.670 ( -1.046 -1.544 -1.322) 2.286 4.929 ( -0.378 -2.845 2.024) 3.512 5.026 ( -0.732 -1.784 -7.224) 7.477 5.111 ( -0.927 -1.084 1.635) 2.169 5.197 ( -3.250 3.719 5.256) 7.213 5.263 ( 2.259 5.613 -1.441) 6.219 5.328 ( 5.578 -2.768 4.916) 7.933 5.536 ( 2.462 -2.081 6.244) 7.027 5.585 ( -3.616 -5.402 6.919) 9.493 5.672 ( 4.166 -4.269 -1.080) 6.062 5.755 ( 2.280 3.264 -20.083) 20.474 5.902 ( -1.829 -5.015 2.673) 5.970 6.082 ( 1.223 1.299 -2.420) 3.007 6.158 ( 5.105 -0.189 -11.803) 12.861 6.252 ( -3.631 2.637 1.695) 4.797 6.383 ( 2.742 -3.290 -1.570) 4.561 6.532 ( -8.832 -0.946 -2.869) 9.335 6.752 ( 0.840 -4.125 -3.521) 5.488 6.808 ( -3.845 3.602 -0.863) 5.339 6.940 ( -2.840 13.222 -9.544) 16.552 6.992 ( 6.298 8.777 0.237) 10.805 7.085 ( 0.685 10.129 -1.582) 10.274 7.154 ( -1.649 3.431 4.119) 5.609 7.400 ( 5.283 0.155 2.817) 5.989 7.477 ( 2.063 0.202 6.080) 6.424 7.611 ( 2.230 -1.686 0.104) 2.798 7.708 ( 0.393 -3.117 4.670) 5.628 7.826 ( 0.863 -4.047 -0.636) 4.187 7.910 ( -2.402 0.318 -4.425) 5.045 8.011 ( 0.189 -2.560 -7.597) 8.019 8.204 ( -2.926 -4.766 -4.529) 7.197 8.277 ( -0.851 1.576 -0.423) 1.841 8.442 ( 1.400 -0.514 -0.228) 1.509 8.603 ( -0.488 4.123 -4.108) 5.841 8.666 ( 0.817 4.173 2.632) 5.001 9.267 ( 1.231 -11.407 6.223) 13.052 9.460 ( -0.054 -6.355 -1.698) 6.578 9.778 ( 3.061 2.098 10.592) 11.223 10.176 ( 1.309 -4.068 15.803) 16.370 10.501 ( -6.466 2.489 -8.556) 11.010 10.912 ( -8.924 -4.910 -6.326) 11.990 17.573 ( 1.152 0.407 0.352) 1.272 17.588 ( -0.616 0.898 -0.235) 1.114 17.689 ( 0.304 -0.490 0.261) 0.633 17.708 ( -0.068 -0.212 -0.250) 0.335 17.972 ( -1.122 -0.030 0.859) 1.414 17.989 ( -0.093 -0.183 0.589) 0.624 18.015 ( 0.090 0.115 -0.388) 0.415 18.024 ( 0.356 -0.052 -0.365) 0.512 30.310 ( -0.931 -0.751 -0.036) 1.197 30.338 ( 0.266 -0.796 -0.684) 1.083 30.404 ( 0.898 1.148 0.817) 1.671 30.442 ( 0.578 1.244 -0.191) 1.385 49.111 ( -6.074 1.359 -1.343) 6.368 49.167 ( 4.106 -0.306 -1.933) 4.548 49.529 ( 19.503 8.671 -3.570) 21.640 49.558 ( -2.525 4.906 -2.824) 6.199 ======================= Grid point 136 (67/128) ======================= q-point: ( 0.11 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 17.558 -1.343 26.158) 31.533 2.034 ( 11.497 10.948 28.174) 32.339 2.633 ( 2.355 2.911 -18.097) 18.481 2.794 ( 2.491 -1.714 -15.480) 15.773 3.033 ( -1.392 -1.393 11.111) 11.284 3.134 ( 7.532 10.817 24.590) 27.900 3.432 ( -8.752 -12.900 -3.597) 15.999 3.554 ( 4.648 -2.772 -4.061) 6.766 3.628 ( 5.999 0.148 2.390) 6.459 3.884 ( 1.917 -3.283 6.691) 7.696 3.907 ( 0.380 -8.935 2.772) 9.363 4.205 ( -1.915 5.012 4.239) 6.838 4.393 ( -3.547 2.234 8.976) 9.906 4.529 ( -0.912 4.309 0.429) 4.425 4.547 ( 7.787 0.792 3.799) 8.700 4.666 ( -5.185 -2.346 2.379) 6.168 4.831 ( 3.172 -2.690 -12.445) 13.122 4.925 ( -5.002 -1.576 0.521) 5.270 5.110 ( -1.657 6.491 -7.907) 10.363 5.127 ( -2.997 2.817 3.651) 5.500 5.298 ( 3.608 4.230 -1.662) 5.803 5.399 ( -0.258 -6.220 -6.162) 8.759 5.565 ( -2.000 -1.389 4.471) 5.091 5.677 ( 4.226 3.527 -8.503) 10.129 5.705 ( 4.790 3.648 -1.328) 6.165 5.771 ( 3.030 -6.449 -1.441) 7.270 5.895 ( -1.217 -3.703 2.344) 4.548 6.040 ( -3.037 2.363 2.642) 4.667 6.174 ( 6.297 0.711 -8.216) 10.376 6.214 ( -8.714 -7.590 0.271) 11.560 6.340 ( 1.502 0.404 0.810) 1.753 6.497 ( 6.391 4.363 1.464) 7.875 6.696 ( -1.636 3.390 -1.377) 4.008 6.747 ( 0.299 -2.609 -6.585) 7.090 6.846 ( -1.271 13.850 -6.598) 15.394 7.026 ( -4.679 4.619 1.513) 6.747 7.134 ( 2.464 5.587 5.855) 8.460 7.206 ( 4.085 4.410 2.378) 6.464 7.476 ( -3.721 2.233 3.569) 5.619 7.503 ( 1.735 -1.362 2.318) 3.200 7.654 ( 0.295 -3.958 1.847) 4.378 7.717 ( -2.248 -6.849 -1.664) 7.398 7.839 ( -1.454 -3.697 -0.698) 4.033 7.881 ( 6.928 -1.228 -4.759) 8.494 8.019 ( -2.027 -4.713 -0.451) 5.150 8.076 ( -1.092 -3.239 -7.984) 8.685 8.237 ( -2.532 0.204 -1.014) 2.735 8.451 ( 2.317 -0.823 -6.246) 6.712 8.565 ( -2.999 4.951 1.854) 6.078 8.670 ( -1.579 6.219 2.066) 6.741 9.308 ( -1.498 -10.408 4.040) 11.264 9.432 ( -0.625 -6.464 -2.211) 6.860 9.883 ( -1.738 2.065 11.380) 11.696 10.149 ( -16.511 4.217 -5.755) 17.986 10.308 ( -5.474 -0.994 16.893) 17.785 10.625 ( -13.218 -4.857 -6.001) 15.308 17.576 ( -0.255 0.773 -0.368) 0.893 17.601 ( 1.271 0.120 0.165) 1.287 17.692 ( -0.206 -0.084 0.162) 0.275 17.704 ( -0.078 -0.430 -0.234) 0.496 17.960 ( -0.642 0.206 0.956) 1.169 17.992 ( -0.086 -0.285 0.502) 0.584 18.015 ( 0.117 0.138 -0.223) 0.287 18.028 ( 0.370 -0.025 -0.343) 0.505 30.296 ( -0.387 -1.012 -0.036) 1.084 30.339 ( 0.116 -1.408 -0.274) 1.439 30.442 ( 2.352 3.284 -0.563) 4.079 30.449 ( 0.510 2.047 -0.198) 2.119 49.026 ( -1.824 1.466 -0.425) 2.378 49.257 ( 4.949 -3.828 -1.912) 6.542 49.509 ( 4.176 7.232 -3.041) 8.888 49.977 ( 24.686 -1.490 -11.323) 27.199 ======================= Grid point 137 (68/128) ======================= q-point: ( 0.22 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 15.979 -3.512 15.989) 22.876 2.404 ( 8.122 5.285 21.010) 23.137 2.672 ( 12.198 2.407 -9.941) 15.919 2.723 ( 3.990 -2.556 -11.964) 12.869 3.042 ( -1.644 -9.420 4.144) 10.422 3.232 ( -5.350 -7.369 -1.046) 9.166 3.411 ( 3.432 5.551 5.424) 8.486 3.686 ( 1.279 -1.502 3.917) 4.386 3.749 ( 4.029 1.156 -0.648) 4.242 3.911 ( -0.840 -7.301 8.611) 11.320 4.059 ( 5.508 -6.226 11.539) 14.222 4.296 ( 4.788 2.958 2.828) 6.298 4.418 ( -4.487 2.880 5.781) 7.865 4.425 ( -8.876 8.017 11.546) 16.624 4.509 ( 1.679 6.120 -1.377) 6.494 4.762 ( 3.489 0.420 1.297) 3.746 4.831 ( 7.047 -0.302 -0.546) 7.075 4.957 ( -0.042 -3.832 1.723) 4.202 5.048 ( 9.944 2.027 -5.346) 11.471 5.173 ( 4.538 6.365 -2.737) 8.282 5.280 ( -3.116 -1.018 -9.494) 10.044 5.350 ( 1.591 4.055 -0.359) 4.370 5.513 ( 0.025 0.769 -12.997) 13.020 5.629 ( 1.938 1.421 -3.931) 4.607 5.749 ( -1.616 -0.273 2.903) 3.334 5.764 ( -0.681 -0.831 -6.213) 6.305 5.875 ( -4.304 -1.335 2.608) 5.206 6.034 ( -3.829 -2.753 -5.481) 7.230 6.123 ( 3.962 -2.683 10.148) 11.220 6.238 ( 1.163 0.608 0.347) 1.358 6.391 ( 2.264 5.440 -5.192) 7.853 6.589 ( -8.696 2.052 -5.006) 10.241 6.651 ( 4.720 3.713 1.264) 6.137 6.784 ( 0.662 9.784 1.472) 9.917 6.827 ( 10.606 -2.991 -2.300) 11.258 6.989 ( 0.908 0.856 0.225) 1.267 7.176 ( -3.934 1.822 -0.362) 4.351 7.280 ( 1.954 3.471 5.134) 6.498 7.382 ( -7.261 3.184 4.335) 9.036 7.552 ( -5.809 -2.187 -1.715) 6.440 7.567 ( -4.688 -0.383 2.232) 5.206 7.669 ( -1.126 -8.390 -1.846) 8.664 7.736 ( -7.251 -8.487 -0.887) 11.198 7.931 ( 1.763 0.930 -2.826) 3.458 8.002 ( 5.773 -2.219 -1.275) 6.315 8.083 ( 1.755 -5.098 -6.349) 8.329 8.183 ( -1.463 0.116 0.896) 1.720 8.447 ( 2.009 -0.305 -6.184) 6.509 8.508 ( -3.689 3.773 2.194) 5.714 8.663 ( -0.607 6.151 1.655) 6.399 9.251 ( -6.800 -10.892 1.754) 12.960 9.415 ( 0.146 -6.596 -1.501) 6.766 9.753 ( -13.210 5.506 -2.677) 14.560 9.914 ( -7.169 4.351 8.097) 11.657 10.301 ( -8.450 -2.465 13.731) 16.310 10.336 ( -11.782 -4.787 -3.206) 13.115 17.573 ( 0.245 0.685 -0.331) 0.799 17.626 ( 1.150 0.020 0.207) 1.168 17.685 ( -0.457 -0.187 -0.121) 0.508 17.699 ( -0.290 -0.143 -0.134) 0.350 17.960 ( -0.185 0.162 0.996) 1.026 17.992 ( -0.167 -0.373 0.372) 0.553 18.015 ( 0.072 0.225 -0.220) 0.323 18.033 ( 0.258 0.046 -0.188) 0.323 30.293 ( 0.191 -1.132 -0.185) 1.163 30.340 ( 0.017 -1.454 0.284) 1.482 30.447 ( 0.173 3.394 -0.819) 3.496 30.487 ( 1.994 3.491 -0.806) 4.100 49.033 ( 2.200 1.159 1.000) 2.681 49.325 ( 4.561 -4.390 -0.896) 6.394 49.672 ( 12.260 6.559 -2.135) 14.067 50.259 ( 14.037 -3.817 -13.170) 19.623 ======================= Grid point 138 (69/128) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 6.030 -3.161 -5.946) 9.039 2.731 ( 12.037 6.855 0.918) 13.882 2.766 ( 2.033 -3.234 18.725) 19.110 2.972 ( 14.382 1.327 3.606) 14.886 3.037 ( -1.087 -11.227 3.283) 11.748 3.201 ( -1.030 -1.784 5.548) 5.918 3.456 ( 1.655 2.386 -2.110) 3.590 3.604 ( -5.677 -3.092 3.612) 7.405 3.808 ( 0.131 0.665 0.937) 1.157 3.972 ( -2.147 -5.609 8.307) 10.251 4.129 ( -4.892 -4.058 6.800) 9.308 4.186 ( -11.341 3.436 3.461) 12.345 4.354 ( 5.825 -0.475 -3.577) 6.852 4.447 ( -2.676 7.775 7.184) 10.919 4.657 ( 2.455 -6.965 9.074) 11.699 4.906 ( 5.321 -0.911 0.766) 5.453 5.012 ( 5.494 -7.257 1.063) 9.164 5.121 ( 7.377 8.325 2.441) 11.388 5.166 ( 12.860 12.049 2.968) 17.871 5.222 ( 2.016 4.774 -7.473) 9.094 5.281 ( 6.375 -1.873 0.562) 6.668 5.363 ( 2.577 4.131 1.719) 5.164 5.518 ( 10.426 2.067 -14.742) 18.174 5.663 ( 3.926 -0.493 -2.412) 4.633 5.706 ( 1.008 -1.640 -8.251) 8.472 5.749 ( 0.396 -0.034 6.197) 6.209 5.811 ( -0.718 -1.063 2.458) 2.773 5.945 ( -2.599 2.579 -4.854) 6.080 6.140 ( -8.305 3.014 -4.038) 9.714 6.194 ( -4.883 -1.612 0.384) 5.157 6.380 ( -2.290 5.347 -6.985) 9.090 6.473 ( 2.717 0.312 2.912) 3.995 6.663 ( 0.196 2.525 -1.190) 2.798 6.840 ( -0.189 6.363 1.760) 6.604 6.962 ( -1.996 4.509 -5.754) 7.578 7.017 ( -4.583 -0.442 0.253) 4.611 7.037 ( -0.200 0.762 -5.179) 5.239 7.171 ( -3.244 0.049 -6.213) 7.009 7.320 ( -7.947 1.881 4.719) 9.432 7.348 ( -6.858 -1.287 6.418) 9.480 7.524 ( -5.861 0.400 2.018) 6.212 7.592 ( -2.095 -9.725 -2.597) 10.282 7.735 ( 1.317 -5.151 5.221) 7.452 7.941 ( -0.032 -4.108 -3.253) 5.240 8.031 ( 0.390 -3.181 -8.037) 8.653 8.138 ( 7.452 -1.911 5.008) 9.180 8.226 ( 2.606 4.187 4.827) 6.901 8.426 ( 0.006 -2.152 -1.998) 2.937 8.486 ( 1.001 0.561 -1.620) 1.986 8.657 ( -0.623 5.437 -0.550) 5.501 9.082 ( -9.919 -9.455 -0.583) 13.716 9.406 ( -0.084 -6.640 -1.643) 6.840 9.565 ( -5.003 4.587 -0.756) 6.829 9.788 ( -10.118 4.459 3.284) 11.535 10.124 ( -6.292 -4.726 -2.275) 8.191 10.225 ( -9.697 -3.148 12.204) 15.902 17.580 ( 0.643 0.536 -0.075) 0.840 17.649 ( 0.914 -0.266 0.279) 0.992 17.673 ( -0.456 -0.180 -0.486) 0.690 17.690 ( -0.529 0.254 -0.031) 0.588 17.965 ( -0.131 0.046 0.911) 0.921 17.992 ( -0.125 -0.431 0.374) 0.584 18.015 ( 0.070 0.366 -0.202) 0.424 18.035 ( 0.076 0.107 -0.137) 0.190 30.304 ( 0.943 -0.808 0.071) 1.244 30.342 ( -0.137 -1.414 0.488) 1.502 30.444 ( 0.102 3.595 -0.751) 3.674 30.506 ( 0.849 3.860 -0.986) 4.074 49.122 ( 4.680 0.895 4.019) 6.234 49.434 ( 5.062 -4.779 3.177) 7.652 49.885 ( 10.457 4.830 -3.604) 12.069 50.355 ( 7.005 -2.908 -12.922) 14.984 ======================= Grid point 139 (70/128) ======================= q-point: (-0.56 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -0.086 -5.925 0.024) 5.926 2.782 ( -5.745 -6.235 1.520) 8.613 2.890 ( -9.218 2.765 11.513) 15.006 3.094 ( 6.696 -2.316 4.676) 8.489 3.163 ( 1.970 -1.993 5.035) 5.762 3.282 ( 3.413 -0.373 8.257) 8.943 3.506 ( 4.927 3.974 -0.581) 6.357 3.665 ( 3.502 -4.638 1.261) 5.946 3.785 ( 3.624 1.247 0.398) 3.853 3.904 ( -6.266 0.568 3.901) 7.402 4.073 ( -4.379 0.043 13.030) 13.746 4.148 ( 1.844 -0.763 5.304) 5.667 4.395 ( -2.335 0.362 7.650) 8.006 4.563 ( 9.840 2.970 -0.268) 10.282 4.783 ( 1.375 -7.059 9.676) 12.055 4.945 ( -1.251 -0.994 4.406) 4.687 5.071 ( -1.139 -5.872 1.879) 6.270 5.129 ( -4.587 4.705 -5.694) 8.694 5.166 ( 7.812 1.631 -9.509) 12.414 5.285 ( -6.532 0.809 0.067) 6.582 5.415 ( 1.092 5.827 4.343) 7.349 5.453 ( -2.052 2.063 0.995) 3.075 5.526 ( -0.387 4.022 -3.043) 5.058 5.692 ( -4.416 -3.800 -5.051) 7.711 5.770 ( 5.696 3.878 -10.512) 12.569 5.831 ( -9.183 4.456 -0.221) 10.210 5.845 ( 5.121 -2.834 -0.924) 5.925 5.975 ( 9.083 2.266 -5.524) 10.869 6.011 ( -1.989 0.015 -8.288) 8.524 6.078 ( 18.136 3.432 3.037) 18.706 6.257 ( -3.545 5.325 -2.509) 6.872 6.575 ( 1.526 4.521 3.758) 6.074 6.620 ( -6.808 4.126 -2.681) 8.400 6.680 ( 1.893 -3.174 -5.565) 6.681 6.891 ( -0.434 8.071 -1.255) 8.179 7.002 ( -0.033 5.592 -1.755) 5.861 7.017 ( -3.259 -1.104 1.776) 3.872 7.155 ( 1.147 -1.889 -2.433) 3.287 7.227 ( -6.765 -1.975 2.747) 7.564 7.245 ( -3.111 -1.066 0.220) 3.296 7.428 ( -2.423 1.724 -2.208) 3.703 7.550 ( -1.647 -7.926 0.943) 8.150 7.771 ( -0.741 -1.495 2.905) 3.350 7.875 ( -2.398 -6.261 -5.231) 8.504 8.015 ( 2.001 -2.082 -2.783) 4.010 8.253 ( -3.744 2.073 2.629) 5.023 8.323 ( 4.693 1.274 6.720) 8.295 8.493 ( 1.136 -3.336 2.480) 4.309 8.549 ( 10.147 -0.450 5.168) 11.396 8.648 ( 2.865 3.501 -4.651) 6.488 8.893 ( -7.158 -8.633 -3.316) 11.695 9.354 ( -4.816 -6.077 -3.133) 8.363 9.508 ( -1.419 3.827 0.799) 4.159 9.621 ( -6.101 5.022 -0.570) 7.923 10.067 ( 0.911 -4.960 1.204) 5.185 10.124 ( -8.100 -4.544 7.788) 12.121 17.595 ( 0.753 0.339 0.288) 0.875 17.650 ( -0.839 -0.627 -0.362) 1.108 17.673 ( 0.550 0.218 -0.163) 0.614 17.681 ( -0.210 0.357 0.014) 0.414 17.968 ( -0.288 0.062 0.760) 0.815 17.994 ( 0.023 -0.465 0.422) 0.629 18.015 ( 0.034 0.440 -0.125) 0.458 18.034 ( 0.005 0.092 -0.145) 0.171 30.325 ( 0.657 -0.864 0.499) 1.195 30.343 ( -0.329 -1.744 0.944) 2.011 30.442 ( 0.617 4.294 -0.960) 4.443 30.510 ( 0.414 4.308 -1.149) 4.478 49.264 ( 4.947 0.379 7.522) 9.011 49.538 ( 1.381 -5.344 5.594) 7.858 49.976 ( 1.804 4.625 -6.217) 7.955 50.379 ( 6.185 -2.877 -12.530) 14.267 ======================= Grid point 140 (71/128) ======================= q-point: (-0.44 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -21.154 -6.828 7.245) 23.380 2.525 ( -19.556 -2.627 6.205) 20.684 2.844 ( -0.617 -7.873 5.029) 9.363 3.177 ( -0.810 -3.909 2.551) 4.738 3.234 ( 4.100 1.608 0.423) 4.424 3.462 ( 3.050 -4.902 15.002) 16.074 3.558 ( -3.729 -4.669 -1.966) 6.291 3.654 ( 2.980 2.925 1.233) 4.354 3.737 ( -1.318 3.293 3.273) 4.826 4.066 ( 3.442 -0.667 1.377) 3.766 4.239 ( 5.823 4.853 4.560) 8.846 4.288 ( 15.630 -2.690 11.417) 19.542 4.409 ( -3.191 0.560 7.225) 7.919 4.663 ( -7.461 -0.993 -4.796) 8.925 4.795 ( -9.044 6.006 2.254) 11.089 4.876 ( -6.696 3.963 1.160) 7.867 4.992 ( -6.221 4.333 3.229) 8.240 5.047 ( -6.032 -4.041 3.217) 7.941 5.103 ( -4.184 -1.813 -0.265) 4.568 5.168 ( -3.733 -0.683 -1.451) 4.063 5.200 ( -8.589 -1.031 -5.739) 10.381 5.353 ( -5.340 1.279 -1.081) 5.596 5.544 ( 3.196 5.957 0.529) 6.781 5.610 ( -0.222 3.573 -0.068) 3.581 5.679 ( -2.939 4.669 3.510) 6.539 5.777 ( 2.941 -1.551 -3.619) 4.914 5.916 ( -0.357 3.719 -1.387) 3.985 6.091 ( 12.303 -0.102 -9.528) 15.561 6.158 ( 8.076 -2.022 -9.409) 12.563 6.268 ( 8.809 0.486 0.258) 8.827 6.389 ( 6.623 -1.400 -2.199) 7.118 6.521 ( -0.700 3.951 0.706) 4.074 6.624 ( -0.179 3.243 -2.853) 4.323 6.691 ( 3.131 -1.796 -2.987) 4.685 6.866 ( -0.490 6.602 -4.712) 8.126 6.923 ( -5.554 -0.787 2.271) 6.052 7.010 ( 1.923 3.454 -1.392) 4.191 7.154 ( -0.782 3.509 -3.341) 4.908 7.164 ( -4.670 -5.268 -2.532) 7.481 7.218 ( 6.488 -2.166 4.839) 8.379 7.411 ( 3.070 3.903 -4.106) 6.444 7.567 ( 1.456 -4.180 4.833) 6.553 7.730 ( -3.870 -6.783 -4.566) 9.047 7.830 ( 0.018 3.074 2.208) 3.785 8.061 ( 2.966 -0.560 2.933) 4.209 8.187 ( -1.688 -1.194 -1.622) 2.627 8.393 ( -1.547 4.665 5.379) 7.286 8.594 ( 2.297 -8.106 1.596) 8.575 8.628 ( 3.365 1.034 0.178) 3.524 8.720 ( -1.374 -0.063 -3.842) 4.081 8.921 ( 12.556 -8.942 6.031) 16.553 9.155 ( -10.476 -1.153 -6.391) 12.325 9.515 ( 1.189 4.973 1.177) 5.247 9.574 ( 1.399 2.867 -0.420) 3.218 10.022 ( -6.184 -5.019 5.260) 9.545 10.190 ( 8.701 -6.073 2.864) 10.990 17.612 ( 0.493 0.194 0.665) 0.850 17.626 ( -1.059 -0.134 -0.667) 1.259 17.669 ( -0.368 0.276 -0.051) 0.463 17.690 ( 0.687 -0.074 -0.157) 0.708 17.967 ( -0.287 0.170 0.814) 0.880 17.998 ( 0.025 -0.412 0.277) 0.497 18.014 ( -0.037 0.389 0.005) 0.391 18.033 ( -0.018 -0.010 -0.204) 0.205 30.326 ( -0.618 -0.771 0.535) 1.123 30.345 ( -0.377 -1.907 0.922) 2.152 30.461 ( 1.672 4.532 -0.438) 4.850 30.501 ( -0.260 4.658 -1.935) 5.051 49.411 ( 2.503 -0.672 10.555) 10.868 49.555 ( -3.441 -5.287 3.820) 7.374 49.874 ( -5.857 6.058 -6.867) 10.870 50.397 ( 4.976 -4.421 -14.211) 15.693 ======================= Grid point 141 (72/128) ======================= q-point: (-0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -30.245 -7.695 2.617) 31.318 2.209 ( -24.071 6.416 20.591) 32.320 2.889 ( 1.495 -15.972 2.620) 16.254 3.151 ( -3.728 -5.009 0.726) 6.286 3.269 ( -3.229 -5.191 3.092) 6.851 3.438 ( -6.590 3.529 -1.166) 7.565 3.579 ( -3.942 -11.790 0.093) 12.432 3.596 ( -7.941 10.271 9.144) 15.880 3.894 ( 6.677 3.873 7.937) 11.072 4.062 ( -5.855 0.093 -9.291) 10.983 4.163 ( -8.704 4.636 -3.226) 10.376 4.290 ( -3.702 -1.244 3.219) 5.061 4.406 ( 2.228 0.864 8.958) 9.271 4.686 ( 0.536 -2.836 2.405) 3.758 4.714 ( 2.417 4.977 5.338) 7.688 4.808 ( -12.785 6.282 2.294) 14.429 4.822 ( -12.031 1.304 -1.093) 12.150 4.874 ( -5.208 0.705 0.003) 5.255 5.078 ( 1.401 2.304 4.014) 4.836 5.128 ( 4.548 -1.597 -2.651) 5.501 5.193 ( 0.874 0.124 -0.035) 0.883 5.322 ( 3.279 -4.600 1.644) 5.883 5.476 ( -6.793 5.339 -2.676) 9.045 5.681 ( 4.444 1.142 0.366) 4.603 5.747 ( 3.506 2.517 3.714) 5.694 5.770 ( -3.626 -1.851 6.395) 7.581 5.934 ( 1.848 -3.781 -0.027) 4.209 6.098 ( 0.919 2.790 -8.501) 8.994 6.288 ( 6.517 -5.314 -8.707) 12.104 6.351 ( -1.403 0.804 -3.279) 3.657 6.455 ( 8.431 1.311 -8.354) 11.942 6.579 ( 3.962 6.433 1.020) 7.624 6.592 ( 1.355 7.266 -5.036) 8.944 6.703 ( 2.292 0.331 -3.017) 3.803 6.831 ( -1.019 -1.087 1.785) 2.325 6.863 ( 0.025 0.669 -4.288) 4.340 7.006 ( -2.798 -2.887 -1.238) 4.207 7.108 ( 3.621 4.423 -1.691) 5.961 7.157 ( 1.245 1.731 2.167) 3.040 7.398 ( 6.144 -1.064 3.891) 7.350 7.492 ( 6.339 3.938 -2.731) 7.947 7.587 ( -4.698 -3.129 -2.895) 6.344 7.677 ( 4.416 -5.513 -0.808) 7.110 7.871 ( 3.943 3.978 2.534) 6.148 8.165 ( 4.201 -1.889 2.632) 5.305 8.203 ( 2.930 -1.192 3.567) 4.767 8.400 ( -1.366 3.258 4.623) 5.818 8.482 ( -6.480 -3.296 -5.205) 8.942 8.647 ( -2.422 -2.450 -4.024) 5.298 8.814 ( 2.915 -1.709 -2.786) 4.380 8.929 ( -0.444 2.166 -2.950) 3.687 9.172 ( 5.488 -12.546 7.102) 15.426 9.548 ( 1.390 2.060 0.150) 2.490 9.702 ( 10.233 4.819 4.000) 11.997 9.984 ( -0.414 -1.524 5.419) 5.645 10.425 ( 12.268 -6.615 3.085) 14.275 17.599 ( -1.093 0.196 -0.714) 1.320 17.622 ( -0.156 0.434 0.861) 0.977 17.664 ( 0.051 -0.144 -0.237) 0.282 17.700 ( 0.454 -0.161 -0.186) 0.516 17.970 ( -0.172 0.181 0.960) 0.992 17.999 ( -0.105 -0.344 0.276) 0.453 18.014 ( -0.017 0.313 -0.015) 0.314 18.030 ( -0.078 -0.074 -0.328) 0.345 30.319 ( -0.339 -0.234 -0.233) 0.474 30.346 ( 0.135 -1.222 0.817) 1.476 30.466 ( -1.511 3.762 -1.754) 4.417 30.485 ( 0.445 4.042 -0.587) 4.109 49.432 ( -8.376 -3.561 2.953) 9.569 49.522 ( -2.370 -2.157 6.340) 7.104 49.705 ( -5.566 6.421 -3.019) 9.018 50.313 ( -1.465 -5.128 -19.291) 20.014 ======================= Grid point 142 (73/128) ======================= q-point: (-0.22 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -25.838 -1.709 13.063) 29.003 1.866 ( -26.583 13.030 16.946) 34.112 2.807 ( -26.148 9.611 15.468) 31.864 2.992 ( -5.327 -10.249 5.460) 12.776 3.157 ( -4.096 -0.244 2.022) 4.575 3.305 ( -3.059 -6.743 5.670) 9.326 3.407 ( -4.825 -4.230 -10.989) 12.725 3.628 ( 2.849 -8.850 2.271) 9.571 3.931 ( -8.874 -6.032 -5.499) 12.056 4.044 ( 5.274 10.954 -3.626) 12.687 4.155 ( -2.155 -1.480 6.380) 6.895 4.203 ( -0.509 2.971 -5.969) 6.686 4.400 ( -10.986 0.398 0.682) 11.014 4.541 ( -1.422 0.658 7.959) 8.112 4.572 ( -6.625 1.980 5.427) 8.790 4.647 ( -6.888 2.060 3.053) 7.811 4.884 ( 3.453 -1.835 2.104) 4.441 4.919 ( 1.759 0.839 1.282) 2.333 5.043 ( -2.660 0.888 -1.272) 3.079 5.192 ( 2.142 -2.016 4.715) 5.557 5.216 ( -2.035 3.657 4.708) 6.299 5.318 ( -4.112 2.160 -4.958) 6.794 5.442 ( 7.613 2.517 -8.011) 11.334 5.681 ( -1.812 -1.267 -3.368) 4.029 5.755 ( -4.559 -4.344 6.458) 9.020 5.836 ( -0.483 -0.892 5.573) 5.665 5.913 ( 1.503 -9.144 -2.311) 9.550 6.117 ( 0.166 5.622 -3.811) 6.794 6.237 ( 1.009 -5.274 -12.106) 13.243 6.340 ( 3.496 5.337 -2.251) 6.766 6.470 ( -3.535 5.819 -2.385) 7.214 6.555 ( 2.436 -3.102 -1.880) 4.369 6.707 ( 1.946 -1.532 -2.962) 3.861 6.737 ( 3.612 1.377 -2.855) 4.806 6.827 ( 3.635 -0.267 -0.661) 3.704 6.927 ( 5.471 5.711 -1.864) 8.125 7.016 ( 6.580 7.675 -0.415) 10.118 7.180 ( 3.875 3.868 -1.135) 5.591 7.232 ( 3.003 2.489 5.704) 6.910 7.436 ( -6.361 1.521 -4.285) 7.819 7.539 ( 2.321 0.349 2.375) 3.339 7.572 ( 4.922 1.147 0.661) 5.097 7.713 ( 1.216 -4.542 -1.122) 4.834 8.056 ( 10.538 0.233 -0.121) 10.542 8.228 ( -1.352 -2.941 -1.617) 3.618 8.280 ( 0.519 -3.397 -2.316) 4.144 8.332 ( -3.452 -0.057 1.943) 3.962 8.392 ( -2.512 -1.556 0.486) 2.995 8.513 ( -4.353 3.778 -0.867) 5.829 8.740 ( 1.778 3.911 -11.596) 12.366 9.077 ( 4.450 -9.947 7.277) 13.103 9.296 ( 4.604 -8.789 5.525) 11.357 9.577 ( 1.461 1.721 0.725) 2.371 9.894 ( 3.489 -6.043 7.096) 9.952 10.193 ( 16.440 8.574 6.407) 19.617 10.691 ( 12.487 -5.623 2.353) 13.895 17.574 ( -0.969 0.527 -0.578) 1.245 17.618 ( -0.764 0.883 0.519) 1.277 17.669 ( 0.446 -0.740 -0.020) 0.864 17.706 ( 0.282 -0.113 -0.167) 0.347 17.975 ( -0.066 0.020 1.023) 1.025 17.997 ( -0.404 -0.274 0.485) 0.688 18.015 ( 0.240 0.166 -0.196) 0.352 18.025 ( -0.141 -0.019 -0.436) 0.459 30.310 ( 0.187 0.695 -1.123) 1.334 30.367 ( 1.251 -0.612 0.705) 1.561 30.413 ( -2.559 1.897 -1.046) 3.353 30.471 ( -1.409 2.552 -0.345) 2.935 49.257 ( -7.694 -1.296 -2.867) 8.313 49.430 ( -9.587 0.736 4.074) 10.442 49.644 ( -2.368 1.147 -0.084) 2.633 50.017 ( -12.313 0.146 -22.217) 25.401 ======================= Grid point 143 (74/128) ======================= q-point: (-0.11 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -4.054 10.548 27.119) 29.379 1.453 ( -23.988 21.152 14.411) 35.078 2.520 ( -21.610 20.484 44.297) 53.374 2.979 ( -0.688 -9.153 -0.851) 9.219 3.116 ( -2.901 -2.670 0.610) 3.990 3.200 ( -6.167 -8.492 -15.817) 18.983 3.325 ( 0.730 -7.979 2.540) 8.405 3.651 ( -7.610 -3.856 -8.704) 12.188 3.708 ( 3.971 -8.222 -0.317) 9.137 3.929 ( -7.769 1.454 -2.259) 8.221 4.058 ( -4.796 6.015 -5.410) 9.405 4.263 ( -3.653 1.726 1.289) 4.241 4.349 ( -0.213 -5.041 6.641) 8.340 4.474 ( -1.151 8.088 1.559) 8.317 4.506 ( -6.425 3.674 9.178) 11.791 4.693 ( 2.459 -3.242 -1.227) 4.250 4.850 ( -0.980 -1.272 2.962) 3.370 5.001 ( 5.998 -1.028 0.859) 6.145 5.081 ( 1.638 -1.021 1.718) 2.584 5.188 ( -2.967 2.443 4.078) 5.603 5.232 ( 0.984 -0.361 2.285) 2.514 5.281 ( -0.872 3.103 2.961) 4.376 5.468 ( 2.251 -2.454 -5.267) 6.231 5.644 ( -2.589 -2.450 2.826) 4.549 5.662 ( -6.014 -2.797 5.263) 8.467 5.872 ( 3.841 -1.794 -14.126) 14.749 5.922 ( -2.108 -6.652 2.545) 7.428 6.039 ( 1.201 1.643 -5.342) 5.717 6.169 ( 2.225 -0.403 -11.826) 12.040 6.353 ( -4.773 8.401 -2.224) 9.915 6.405 ( -0.430 -4.812 -2.414) 5.401 6.596 ( 0.556 -5.228 1.967) 5.614 6.689 ( 4.559 -1.068 -2.041) 5.108 6.835 ( 2.505 7.191 0.916) 7.670 6.886 ( 2.926 4.297 -1.369) 5.375 7.035 ( 7.783 11.602 -3.913) 14.508 7.127 ( 1.889 1.573 -3.091) 3.949 7.174 ( -5.956 6.061 -6.099) 10.460 7.307 ( -0.283 2.310 4.518) 5.082 7.350 ( 4.268 3.155 5.800) 7.862 7.576 ( 1.679 -0.540 0.020) 1.764 7.662 ( 1.762 -0.000 2.571) 3.117 7.770 ( 3.333 -4.607 3.397) 6.624 8.044 ( -5.944 0.699 -8.378) 10.296 8.144 ( -5.670 -2.078 -9.195) 11.001 8.235 ( 4.260 -2.836 -3.772) 6.357 8.288 ( -2.082 -0.085 1.491) 2.562 8.413 ( 0.187 -1.195 2.953) 3.191 8.558 ( 4.071 4.217 5.263) 7.877 8.682 ( 0.445 2.890 -9.771) 10.199 9.182 ( 1.425 -13.382 8.202) 15.760 9.430 ( 3.981 -6.874 1.903) 8.169 9.640 ( 3.501 2.832 5.340) 6.985 10.021 ( 2.775 -5.727 12.072) 13.647 10.513 ( 10.495 3.598 -3.402) 11.604 10.934 ( 9.556 -5.029 -0.766) 10.825 17.559 ( -0.121 0.797 0.100) 0.812 17.604 ( -0.851 0.977 0.065) 1.297 17.679 ( 0.491 -0.814 0.203) 0.972 17.709 ( 0.123 -0.083 -0.180) 0.233 17.980 ( -0.269 -0.225 0.934) 0.998 17.991 ( -0.603 -0.190 0.535) 0.828 18.018 ( 0.149 0.031 -0.621) 0.640 18.020 ( 0.132 0.050 -0.172) 0.222 30.314 ( 0.820 0.107 -0.821) 1.165 30.360 ( -2.149 0.239 -0.333) 2.188 30.392 ( 0.477 -0.246 0.579) 0.789 30.440 ( -0.978 1.131 0.160) 1.504 49.141 ( -0.947 0.475 -2.417) 2.639 49.269 ( -7.830 -0.504 -0.768) 7.884 49.466 ( -9.611 10.513 -10.599) 17.755 49.684 ( -7.729 5.055 -1.516) 9.359 ======================= Grid point 144 (75/128) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -4.600 21.376 16.047) 27.122 2.000 ( 8.041 23.372 19.111) 31.243 2.666 ( -2.321 -16.738 -3.360) 17.229 2.770 ( -3.975 -9.277 1.745) 10.243 2.970 ( 0.606 -2.959 0.887) 3.148 3.065 ( 0.684 3.933 10.371) 11.113 3.357 ( 1.365 8.130 14.264) 16.475 3.445 ( -1.412 -0.814 -7.435) 7.611 3.575 ( -2.565 -6.044 -6.617) 9.322 3.797 ( -2.512 -1.893 -4.534) 5.519 3.853 ( -5.342 3.930 4.785) 8.178 4.320 ( -0.523 -1.746 2.588) 3.165 4.415 ( 2.041 5.163 1.598) 5.777 4.475 ( -7.423 -1.340 4.621) 8.847 4.556 ( 1.684 0.818 1.441) 2.362 4.617 ( 2.312 -3.240 -5.000) 6.391 4.877 ( -0.495 -4.530 -1.887) 4.932 4.948 ( 2.395 -4.214 1.867) 5.194 5.018 ( -0.316 -3.940 2.698) 4.785 5.233 ( 4.474 -2.689 4.830) 7.112 5.331 ( -2.682 5.496 4.048) 7.334 5.414 ( 0.659 -1.550 8.774) 8.934 5.458 ( -5.293 2.477 1.815) 6.120 5.498 ( 1.813 -2.434 9.908) 10.363 5.648 ( 2.324 2.452 -1.428) 3.668 5.799 ( 0.312 -1.928 -0.763) 2.097 5.885 ( 1.776 6.003 -13.040) 14.465 6.094 ( 1.534 0.105 -1.576) 2.202 6.109 ( 0.275 -3.724 -8.885) 9.638 6.225 ( 0.381 -2.101 -0.749) 2.263 6.423 ( -3.377 1.743 -1.797) 4.204 6.573 ( 5.883 -3.031 -0.693) 6.654 6.633 ( -1.770 2.220 -4.847) 5.617 6.861 ( -4.902 0.002 -3.433) 5.984 7.074 ( -1.310 4.659 -2.684) 5.534 7.179 ( 6.568 6.894 0.754) 9.551 7.244 ( 2.036 1.423 -0.015) 2.484 7.301 ( -2.318 5.572 -2.117) 6.395 7.451 ( 0.020 4.489 2.442) 5.111 7.497 ( 3.392 2.222 2.304) 4.664 7.587 ( -0.066 1.416 0.265) 1.442 7.680 ( -1.624 0.877 -0.662) 1.961 7.753 ( 1.286 -2.399 1.569) 3.142 7.887 ( -4.068 -3.809 -9.931) 11.388 7.938 ( -1.127 -2.603 -3.693) 4.657 8.084 ( -3.220 -6.614 -6.855) 10.055 8.301 ( 0.898 1.686 -4.188) 4.603 8.409 ( 3.732 -2.446 -8.292) 9.417 8.700 ( -2.733 4.019 5.064) 7.019 8.754 ( 0.916 2.964 7.226) 7.864 9.084 ( 1.509 -3.834 6.112) 7.371 9.295 ( -0.195 -8.595 -1.215) 8.683 9.842 ( 3.140 4.073 11.629) 12.716 10.070 ( 3.375 -5.680 14.280) 15.735 10.567 ( -5.479 3.819 -7.363) 9.940 10.791 ( -7.632 -6.169 -6.116) 11.563 17.590 ( 0.591 1.107 0.336) 1.300 17.610 ( -0.637 0.978 -0.465) 1.257 17.674 ( 0.590 -0.712 0.545) 1.073 17.696 ( -0.130 -0.897 -0.214) 0.932 17.973 ( -0.748 0.181 0.830) 1.132 17.984 ( -0.254 -0.257 0.599) 0.700 18.018 ( 0.136 0.117 -0.342) 0.386 18.022 ( 0.314 -0.096 -0.339) 0.472 30.299 ( -0.989 -0.261 -0.500) 1.139 30.317 ( -0.397 -1.022 -0.913) 1.427 30.435 ( 2.009 1.543 1.061) 2.747 30.462 ( 1.409 0.513 0.356) 1.541 49.133 ( -3.487 0.858 -1.834) 4.032 49.158 ( 1.967 -0.453 -1.994) 2.837 49.638 ( 0.268 4.240 -2.365) 4.863 49.692 ( 8.046 3.799 -6.160) 10.822 ======================= Grid point 145 (76/128) ======================= q-point: ( 0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 7.812 11.722 18.989) 23.644 2.304 ( 4.452 12.896 22.388) 26.218 2.590 ( 0.290 -11.363 -3.464) 11.883 2.692 ( -3.521 -4.605 -3.688) 6.871 2.951 ( -0.208 -1.804 -2.866) 3.393 3.127 ( 0.828 -6.513 -4.857) 8.167 3.430 ( -0.181 -0.573 -1.503) 1.619 3.511 ( 7.194 -10.744 2.773) 13.224 3.594 ( 7.294 8.856 9.157) 14.680 3.815 ( 2.166 -3.095 -0.375) 3.796 3.878 ( 0.216 9.730 13.661) 16.773 4.279 ( -0.363 1.389 -1.297) 1.935 4.378 ( -3.363 -3.394 2.575) 5.428 4.564 ( 6.202 -1.195 -1.998) 6.625 4.605 ( 4.751 2.654 -0.395) 5.457 4.650 ( 1.457 0.467 2.065) 2.570 4.779 ( -1.145 1.783 -2.290) 3.120 4.944 ( -3.656 3.796 3.365) 6.253 5.094 ( -5.541 -3.493 8.708) 10.897 5.263 ( 1.794 4.644 -3.777) 6.249 5.350 ( 3.393 -0.495 -0.493) 3.465 5.390 ( -0.158 1.421 1.279) 1.919 5.540 ( 1.580 -0.472 6.213) 6.428 5.629 ( 5.228 -6.355 3.700) 9.023 5.750 ( 6.334 2.176 3.979) 7.791 5.800 ( 2.707 3.337 -6.917) 8.143 5.826 ( 1.859 0.636 -8.449) 8.674 6.055 ( -1.660 -4.154 -2.447) 5.099 6.064 ( -2.517 -2.466 -2.760) 4.476 6.147 ( -3.857 -1.406 -4.680) 6.226 6.353 ( -3.167 2.245 -0.389) 3.901 6.601 ( 3.311 -3.176 -5.676) 7.298 6.671 ( 4.467 2.691 -3.324) 6.184 6.776 ( -0.203 2.715 -3.687) 4.584 7.060 ( -0.696 7.586 2.588) 8.045 7.208 ( -5.069 8.940 -1.458) 10.380 7.260 ( -0.335 4.787 2.891) 5.603 7.292 ( 2.396 3.465 1.477) 4.465 7.472 ( 0.719 -1.743 3.261) 3.767 7.546 ( -0.573 0.168 0.607) 0.852 7.561 ( -3.991 0.482 2.245) 4.604 7.616 ( -5.291 -1.821 2.980) 6.339 7.729 ( -5.147 -5.852 -6.883) 10.397 7.810 ( 3.767 -4.787 -0.085) 6.092 7.933 ( 0.579 -3.905 -1.741) 4.314 7.978 ( 0.188 -5.339 -7.136) 8.914 8.268 ( 0.047 2.852 -6.503) 7.101 8.407 ( 3.730 -2.895 -10.022) 11.078 8.681 ( -4.664 5.247 6.562) 9.610 8.784 ( -1.887 3.272 4.378) 5.782 9.121 ( -2.124 -5.470 4.185) 7.207 9.266 ( -0.967 -8.280 -1.937) 8.558 9.957 ( -1.526 4.870 11.695) 12.760 10.176 ( -4.395 -2.765 6.647) 8.435 10.318 ( -12.748 2.853 1.481) 13.147 10.510 ( -13.869 -5.546 -5.875) 16.051 17.596 ( -0.270 1.055 -0.329) 1.138 17.608 ( 0.763 0.483 0.283) 0.946 17.685 ( 0.117 -0.474 0.212) 0.532 17.691 ( -0.015 -0.699 -0.211) 0.730 17.967 ( -0.513 0.359 0.802) 1.017 17.984 ( -0.218 -0.412 0.524) 0.701 18.019 ( 0.200 0.204 -0.230) 0.367 18.027 ( 0.377 -0.118 -0.264) 0.476 30.282 ( -0.438 -0.206 -0.143) 0.505 30.311 ( 0.052 -1.263 -0.303) 1.299 30.491 ( 2.447 1.803 -0.155) 3.043 30.501 ( 2.957 1.798 -1.097) 3.630 49.069 ( -1.526 2.497 -0.951) 3.078 49.187 ( 2.131 -2.984 -1.735) 4.057 49.667 ( 6.590 7.407 -2.899) 10.329 49.920 ( 16.361 -3.986 -7.179) 18.306 ======================= Grid point 146 (77/128) ======================= q-point: ( 0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 14.630 1.144 14.758) 20.812 2.497 ( 3.441 -0.362 9.250) 9.876 2.602 ( 0.783 -5.152 2.103) 5.620 2.692 ( 6.178 -3.958 3.549) 8.150 2.935 ( 0.984 2.562 -1.468) 3.112 3.131 ( 3.791 -0.827 -2.918) 4.855 3.483 ( 4.772 0.969 0.382) 4.884 3.615 ( -1.618 -6.763 3.703) 7.878 3.753 ( 2.816 -0.065 5.502) 6.181 3.827 ( -0.936 -2.583 3.778) 4.672 3.994 ( 3.683 4.051 4.896) 7.345 4.285 ( -1.107 -5.113 -5.664) 7.711 4.371 ( 3.555 -1.429 -2.211) 4.424 4.558 ( -8.084 -0.512 3.643) 8.882 4.610 ( 2.977 -0.316 -0.922) 3.132 4.754 ( 4.751 -0.418 4.261) 6.396 4.865 ( -8.085 3.250 4.079) 9.622 5.001 ( 9.363 2.981 6.060) 11.544 5.069 ( 11.087 8.750 9.489) 17.016 5.278 ( 2.487 5.269 -6.388) 8.646 5.406 ( 2.516 10.044 -2.244) 10.595 5.446 ( 6.495 0.629 -4.480) 7.916 5.520 ( -4.872 2.610 1.022) 5.620 5.690 ( 1.444 -0.473 -4.063) 4.338 5.765 ( 1.925 6.083 -8.124) 10.330 5.793 ( -1.763 0.540 -1.989) 2.712 5.867 ( -9.323 0.064 -0.260) 9.326 5.957 ( 7.738 -1.877 1.368) 8.079 6.044 ( 0.482 -3.953 5.966) 7.173 6.246 ( 3.911 -3.274 -3.645) 6.269 6.312 ( 4.678 -7.627 0.442) 8.958 6.594 ( 0.069 -6.232 -7.699) 9.905 6.703 ( 2.262 2.730 -1.805) 3.978 6.792 ( 3.698 1.251 -3.118) 4.997 7.020 ( -4.935 9.142 2.779) 10.754 7.107 ( -3.713 11.052 -1.430) 11.747 7.252 ( -2.939 4.690 -2.636) 6.131 7.331 ( 0.366 0.840 4.294) 4.391 7.442 ( -6.649 -5.536 -0.975) 8.707 7.482 ( -6.929 3.511 1.772) 7.967 7.518 ( -4.613 -3.074 6.903) 8.853 7.562 ( -0.296 -4.590 0.329) 4.611 7.593 ( -4.327 -1.928 1.256) 4.900 7.850 ( 0.723 -8.044 -4.029) 9.026 7.934 ( 3.328 -3.334 -2.683) 5.421 8.002 ( 3.629 -2.704 -2.339) 5.094 8.220 ( 0.797 3.559 -5.296) 6.431 8.405 ( 3.024 -3.393 -8.998) 10.081 8.607 ( -6.987 5.268 5.526) 10.349 8.771 ( -2.043 2.329 3.420) 4.614 9.059 ( -6.509 -5.341 2.050) 8.666 9.241 ( -0.259 -8.794 -1.545) 8.933 9.871 ( -11.089 5.749 -2.584) 12.755 10.012 ( -7.860 3.870 4.599) 9.895 10.192 ( -10.297 -5.622 0.187) 11.733 10.257 ( -10.282 -3.658 10.909) 15.431 17.592 ( 0.089 1.064 -0.255) 1.098 17.625 ( 0.652 -0.197 0.340) 0.761 17.681 ( -0.183 -0.100 -0.404) 0.455 17.694 ( 0.022 -0.409 0.099) 0.422 17.965 ( -0.245 0.313 0.789) 0.883 17.983 ( -0.235 -0.477 0.414) 0.674 18.021 ( 0.201 0.328 -0.169) 0.420 18.032 ( 0.305 -0.105 -0.135) 0.349 30.280 ( 0.171 -0.008 0.451) 0.483 30.314 ( 0.122 -1.169 0.540) 1.293 30.519 ( 1.373 3.009 -1.624) 3.684 30.549 ( 2.613 1.986 -1.878) 3.781 49.073 ( 1.975 2.632 0.891) 3.409 49.230 ( 3.433 -4.465 0.141) 5.634 49.829 ( 11.162 7.972 -3.352) 14.121 50.149 ( 12.441 -6.430 -8.594) 16.431 ======================= Grid point 147 (78/128) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 4.696 -1.347 -7.070) 8.594 2.650 ( 0.321 -8.643 6.441) 10.783 2.761 ( 11.914 -2.677 9.570) 15.514 2.916 ( 7.274 -5.874 12.323) 15.469 2.994 ( 4.141 8.249 6.065) 11.044 3.204 ( 4.359 0.949 -1.664) 4.761 3.529 ( 1.058 2.817 -6.076) 6.780 3.588 ( -1.361 2.623 7.745) 8.289 3.789 ( -4.219 -2.576 4.055) 6.394 3.847 ( 0.533 -5.093 5.335) 7.395 4.071 ( 1.922 0.084 -2.242) 2.955 4.264 ( -2.593 1.424 3.143) 4.316 4.325 ( 0.690 -1.000 -2.864) 3.111 4.508 ( -0.823 -5.783 9.540) 11.187 4.600 ( -9.478 4.003 4.108) 11.078 4.770 ( 4.679 -10.593 2.015) 11.755 4.941 ( 5.638 3.818 2.948) 7.420 5.182 ( 6.308 -3.312 -2.336) 7.498 5.274 ( 3.246 4.610 -2.201) 6.052 5.373 ( -2.034 5.766 -0.525) 6.136 5.400 ( 7.734 3.750 -0.565) 8.614 5.505 ( 3.379 8.648 -0.363) 9.292 5.548 ( 3.829 2.211 -0.739) 4.483 5.676 ( 0.526 -0.521 -5.746) 5.793 5.747 ( -0.615 1.134 3.144) 3.398 5.758 ( 5.316 3.495 -8.829) 10.883 5.837 ( 3.667 5.471 6.780) 9.452 6.027 ( 1.483 5.258 0.680) 5.506 6.109 ( -0.827 -2.643 -0.596) 2.833 6.147 ( -3.689 -1.086 -3.962) 5.521 6.443 ( 2.569 -2.106 -3.295) 4.679 6.553 ( 2.332 3.998 -2.368) 5.199 6.723 ( 0.320 2.038 -0.608) 2.150 6.837 ( 1.960 -6.984 -2.127) 7.559 6.996 ( -4.680 7.075 0.849) 8.525 7.041 ( 3.876 -0.272 -2.559) 4.653 7.170 ( -2.506 6.124 -4.297) 7.890 7.192 ( -13.665 -0.023 -3.214) 14.038 7.260 ( -8.082 -2.014 -0.266) 8.333 7.389 ( -3.746 4.043 1.882) 5.824 7.474 ( -5.961 -5.977 0.426) 8.452 7.496 ( -1.648 0.955 3.569) 4.045 7.656 ( 1.739 -2.688 6.405) 7.160 7.814 ( 0.018 -6.660 -5.767) 8.810 7.962 ( 1.887 -2.865 -4.352) 5.541 8.071 ( 4.094 -2.711 2.713) 5.609 8.277 ( 6.859 0.345 0.413) 6.880 8.362 ( -1.723 -3.732 -6.309) 7.530 8.538 ( -2.962 4.374 4.379) 6.861 8.756 ( -2.122 0.189 2.853) 3.561 8.916 ( -8.206 -1.924 0.151) 8.430 9.228 ( -0.178 -9.510 -1.458) 9.623 9.678 ( -5.584 5.770 -2.265) 8.343 9.863 ( -8.443 1.224 -0.172) 8.533 10.023 ( -7.244 -3.078 2.164) 8.163 10.140 ( -10.695 -4.561 9.867) 15.249 17.596 ( 0.385 0.901 -0.043) 0.981 17.636 ( 0.202 -0.834 0.242) 0.892 17.676 ( 0.122 0.387 -0.438) 0.597 17.692 ( -0.228 -0.127 -0.001) 0.261 17.968 ( -0.157 0.184 0.743) 0.782 17.982 ( -0.154 -0.465 0.424) 0.648 18.024 ( 0.143 0.428 -0.134) 0.470 18.036 ( 0.120 -0.055 -0.120) 0.178 30.295 ( 0.578 0.095 1.265) 1.394 30.321 ( -0.111 -0.806 1.040) 1.321 30.526 ( 1.028 3.714 -1.970) 4.328 30.573 ( 1.532 2.030 -1.959) 3.210 49.155 ( 4.217 2.333 3.949) 6.231 49.323 ( 4.162 -5.329 3.575) 7.648 50.006 ( 9.302 6.343 -5.030) 12.331 50.268 ( 7.115 -5.243 -9.687) 13.113 ======================= Grid point 148 (79/128) ======================= q-point: (-0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -1.047 -2.854 -4.338) 5.298 2.590 ( -7.867 -9.514 -2.622) 12.621 2.935 ( -5.733 2.075 10.417) 12.070 3.046 ( 0.557 -2.708 10.811) 11.159 3.176 ( 3.633 1.670 9.399) 10.215 3.230 ( -0.295 -3.368 2.735) 4.348 3.571 ( -0.854 0.965 -3.564) 3.790 3.663 ( 5.159 5.907 0.668) 7.871 3.756 ( 6.134 -3.722 0.482) 7.191 3.872 ( 1.322 -3.660 5.674) 6.880 4.153 ( 6.993 4.207 -0.506) 8.177 4.177 ( -6.373 7.517 14.610) 17.623 4.416 ( -4.066 1.063 4.427) 6.104 4.528 ( 9.383 -7.868 0.973) 12.284 4.636 ( 3.004 -5.515 9.589) 11.463 4.804 ( -2.007 -12.189 -4.015) 12.990 5.029 ( 0.598 7.143 7.259) 10.201 5.231 ( 5.119 4.144 -8.910) 11.080 5.273 ( -4.931 2.632 -0.857) 5.655 5.324 ( -4.026 3.453 0.518) 5.329 5.454 ( -1.492 -1.671 -0.427) 2.281 5.522 ( -4.545 2.306 4.723) 6.948 5.606 ( -2.166 -0.442 -3.294) 3.967 5.637 ( 7.142 4.616 -3.091) 9.048 5.755 ( -3.031 -2.910 2.482) 4.880 5.878 ( 9.453 0.875 -6.469) 11.488 5.907 ( 1.927 4.673 1.163) 5.186 6.020 ( -0.097 1.913 -7.524) 7.764 6.056 ( -0.665 1.948 -2.080) 2.926 6.191 ( 7.290 2.413 -1.895) 7.910 6.370 ( -4.333 8.132 -2.583) 9.570 6.626 ( 3.034 5.587 -2.804) 6.948 6.731 ( 0.963 3.629 -0.805) 3.840 6.749 ( -7.775 6.454 -3.848) 10.812 6.902 ( -2.458 -6.963 2.306) 7.736 7.020 ( -0.075 -3.289 1.410) 3.579 7.025 ( -2.373 1.215 1.702) 3.163 7.111 ( -4.010 -2.438 -4.995) 6.854 7.225 ( 1.288 2.753 0.072) 3.040 7.285 ( -6.654 2.359 -0.453) 7.074 7.409 ( 2.047 -3.276 -0.829) 3.950 7.494 ( 1.641 3.339 -4.297) 5.684 7.675 ( -3.168 -5.498 1.891) 6.621 7.803 ( 3.310 -1.936 -4.327) 5.781 7.978 ( 3.430 0.177 -2.871) 4.476 8.199 ( 3.367 -8.533 5.262) 10.576 8.255 ( -3.002 -2.214 -0.036) 3.730 8.475 ( 10.042 -6.143 1.766) 11.904 8.541 ( -1.744 3.947 5.677) 7.131 8.718 ( -4.441 -4.973 2.103) 6.991 8.786 ( -2.566 8.196 -1.314) 8.688 9.195 ( -2.178 -8.904 -2.095) 9.403 9.612 ( -0.437 5.532 -0.516) 5.573 9.716 ( -6.103 3.653 -0.618) 7.139 9.945 ( -1.520 -5.656 1.661) 6.088 10.005 ( -8.374 -6.013 5.577) 11.721 17.605 ( 0.481 0.593 0.209) 0.792 17.635 ( -0.358 -0.754 -0.078) 0.838 17.679 ( 0.307 0.339 -0.234) 0.513 17.686 ( -0.244 0.094 -0.097) 0.279 17.970 ( -0.157 0.193 0.705) 0.748 17.984 ( 0.011 -0.452 0.498) 0.673 18.024 ( 0.002 0.428 -0.130) 0.447 18.035 ( -0.041 -0.037 -0.169) 0.178 30.314 ( 0.046 -0.178 1.630) 1.640 30.323 ( -0.586 -0.424 1.273) 1.464 30.536 ( 1.493 4.136 -1.698) 4.714 30.585 ( 1.175 2.318 -1.852) 3.191 49.282 ( 3.985 1.458 7.103) 8.274 49.422 ( 1.620 -5.202 5.845) 7.991 50.083 ( 2.588 5.216 -7.063) 9.154 50.297 ( 4.397 -4.624 -10.692) 12.451 ======================= Grid point 149 (80/128) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -19.438 -4.356 -1.291) 19.962 2.380 ( -8.165 -9.123 1.040) 12.287 2.820 ( -12.736 4.684 12.440) 18.409 3.085 ( -2.226 -4.382 5.112) 7.091 3.184 ( -3.747 -4.369 3.677) 6.830 3.292 ( -3.908 -10.064 11.602) 15.849 3.501 ( -0.572 2.239 -1.269) 2.636 3.705 ( -3.280 -2.598 -0.847) 4.269 3.866 ( 12.547 8.392 0.942) 15.124 4.127 ( -0.103 4.845 -0.437) 4.866 4.173 ( 7.589 -4.132 10.961) 13.957 4.374 ( -3.764 -1.278 10.368) 11.104 4.396 ( 13.198 5.558 -1.440) 14.393 4.611 ( -9.434 -4.161 -1.541) 10.425 4.743 ( 10.626 -6.033 -2.339) 12.441 4.827 ( 5.553 -7.135 7.196) 11.555 5.093 ( -2.582 7.809 7.481) 11.119 5.109 ( -11.629 1.763 -3.377) 12.237 5.150 ( -9.357 1.605 -4.318) 10.429 5.200 ( -1.314 3.717 -0.090) 3.943 5.291 ( -15.899 10.108 -0.939) 18.864 5.451 ( -5.454 8.045 -0.564) 9.736 5.583 ( 4.026 -2.881 -1.031) 5.057 5.690 ( -4.908 1.448 0.427) 5.135 5.696 ( 0.347 3.993 0.179) 4.012 5.822 ( -2.483 0.518 1.437) 2.916 5.983 ( -1.075 1.516 -1.580) 2.439 6.045 ( 0.941 -5.670 -2.363) 6.214 6.132 ( 7.743 2.044 -8.168) 11.439 6.247 ( 12.099 -2.250 -3.273) 12.735 6.403 ( 4.200 3.932 -2.685) 6.349 6.612 ( 1.367 0.151 -2.952) 3.257 6.683 ( 1.794 8.796 1.427) 9.089 6.735 ( -1.850 1.079 0.224) 2.154 6.822 ( -6.228 -7.719 -2.417) 10.209 6.966 ( -2.932 -4.637 0.153) 5.488 7.029 ( 3.494 2.373 -2.244) 4.783 7.099 ( -7.598 4.825 4.711) 10.159 7.215 ( 6.084 0.191 -3.589) 7.067 7.239 ( 3.108 3.003 0.357) 4.337 7.492 ( 3.794 -0.763 0.446) 3.896 7.514 ( 6.125 -1.469 -10.216) 12.001 7.619 ( -1.470 1.035 -0.412) 1.844 7.858 ( 4.540 -0.317 -2.652) 5.267 8.054 ( 5.330 1.399 -1.372) 5.679 8.160 ( -2.684 -1.027 0.175) 2.879 8.348 ( 3.210 -11.502 5.988) 13.358 8.522 ( -4.179 4.100 5.834) 8.265 8.544 ( -3.273 -7.765 -4.409) 9.511 8.757 ( 4.071 -5.178 8.805) 10.996 8.810 ( 5.578 7.174 -0.675) 9.112 9.104 ( -4.544 -4.001 -3.914) 7.209 9.603 ( -2.450 3.722 -0.122) 4.457 9.666 ( 3.382 4.781 0.083) 5.857 9.898 ( -3.805 -5.497 4.242) 7.917 10.035 ( 7.576 -7.814 2.367) 11.138 17.617 ( 0.383 0.232 0.439) 0.627 17.624 ( -0.592 -0.126 -0.308) 0.679 17.676 ( -0.400 0.329 -0.170) 0.545 17.688 ( 0.355 -0.191 -0.143) 0.428 17.973 ( -0.151 0.312 0.751) 0.827 17.989 ( 0.038 -0.419 0.450) 0.616 18.022 ( -0.101 0.345 -0.089) 0.370 18.032 ( -0.117 -0.093 -0.230) 0.274 30.319 ( -0.529 -0.089 1.175) 1.292 30.322 ( -0.514 -0.429 1.684) 1.813 30.556 ( 1.351 3.900 -1.341) 4.340 30.585 ( 0.312 2.839 -2.492) 3.791 49.398 ( 0.918 -0.332 9.172) 9.223 49.459 ( -2.120 -3.605 5.019) 6.533 50.005 ( -3.935 6.269 -7.732) 10.704 50.278 ( 1.953 -6.433 -11.963) 13.723 ======================= Grid point 150 (81/128) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -23.308 2.051 1.974) 23.481 2.268 ( -8.328 -7.850 11.041) 15.902 2.655 ( -12.748 1.466 11.295) 17.094 3.058 ( -3.241 -3.248 0.929) 4.682 3.128 ( -3.874 -6.669 3.174) 8.340 3.255 ( -8.610 -16.542 13.372) 22.947 3.494 ( 0.683 3.038 -2.055) 3.731 3.675 ( -2.755 -2.703 0.706) 3.923 4.039 ( -3.958 0.591 -5.456) 6.766 4.112 ( 9.590 7.956 -3.187) 12.861 4.194 ( -11.848 -0.476 -6.297) 13.426 4.330 ( -2.523 4.198 13.295) 14.168 4.474 ( -1.267 5.003 6.664) 8.428 4.652 ( 5.923 1.126 -2.459) 6.511 4.785 ( -14.812 0.582 2.652) 15.059 4.817 ( -10.847 0.776 -1.819) 11.026 4.879 ( -4.002 -2.435 2.952) 5.538 4.993 ( -5.825 4.875 2.475) 7.989 5.042 ( 2.803 3.554 -0.972) 4.629 5.148 ( 6.821 1.156 -0.136) 6.920 5.264 ( 0.489 4.738 1.995) 5.164 5.332 ( -3.496 5.994 -2.671) 7.436 5.567 ( -5.214 2.128 -0.057) 5.632 5.662 ( 1.573 -3.979 1.175) 4.437 5.700 ( -1.436 -2.219 1.213) 2.908 5.775 ( -3.265 -2.450 -0.517) 4.115 5.894 ( -6.481 -0.169 5.738) 8.658 6.050 ( 3.086 -6.090 -3.763) 7.795 6.278 ( 6.203 3.105 -4.498) 8.267 6.350 ( -1.139 -0.578 -2.551) 2.853 6.435 ( 5.312 -1.405 -9.591) 11.053 6.588 ( -4.606 -10.213 -3.475) 11.730 6.696 ( 2.867 3.334 3.925) 5.894 6.758 ( 2.583 0.427 -0.197) 2.626 6.816 ( 8.661 11.280 0.543) 14.232 6.975 ( -4.796 5.844 2.803) 8.063 7.023 ( 6.248 4.073 -1.943) 7.707 7.139 ( 4.836 -0.503 6.154) 7.843 7.225 ( 2.632 1.802 -3.587) 4.800 7.378 ( 5.485 -2.938 -2.462) 6.692 7.493 ( 1.457 -2.334 -3.242) 4.252 7.597 ( 3.764 -0.431 -3.256) 4.996 7.644 ( 6.499 7.353 -6.322) 11.674 7.922 ( 4.365 0.041 -2.059) 4.826 8.128 ( 3.533 -0.643 -1.937) 4.080 8.167 ( 2.459 -1.651 1.748) 3.440 8.384 ( -3.654 -7.973 1.566) 8.909 8.413 ( -4.300 -5.779 -5.178) 8.872 8.539 ( -0.098 2.271 8.139) 8.450 8.829 ( -0.226 -5.324 4.314) 6.856 8.915 ( 0.160 1.160 -2.768) 3.005 9.036 ( 3.340 0.269 1.028) 3.505 9.581 ( 0.075 1.578 0.634) 1.702 9.716 ( 0.185 -3.430 1.467) 3.735 10.005 ( 11.595 3.967 5.633) 13.487 10.266 ( 13.117 -7.667 3.097) 15.506 17.607 ( -0.723 0.529 -0.372) 0.971 17.629 ( 0.348 -0.051 0.629) 0.721 17.664 ( -0.543 0.348 -0.365) 0.741 17.693 ( 0.265 -0.540 -0.070) 0.606 17.975 ( -0.179 0.349 0.805) 0.895 17.992 ( -0.096 -0.368 0.388) 0.543 18.020 ( -0.091 0.253 -0.073) 0.279 18.028 ( -0.106 -0.135 -0.261) 0.313 30.320 ( -0.088 0.251 0.805) 0.847 30.331 ( 0.334 -0.312 1.552) 1.618 30.541 ( -1.968 3.059 -2.411) 4.364 30.562 ( -0.633 2.626 -2.261) 3.522 49.386 ( -6.555 -0.604 3.440) 7.427 49.462 ( -2.756 -3.155 5.952) 7.278 49.852 ( -5.413 7.385 -5.530) 10.697 50.176 ( -2.728 -7.448 -13.101) 15.315 ======================= Grid point 151 (82/128) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -11.386 14.124 11.144) 21.291 2.178 ( -13.683 10.272 16.148) 23.526 2.548 ( -2.403 -14.478 3.834) 15.169 2.969 ( -6.901 -0.917 3.346) 7.725 3.065 ( -5.921 -7.616 2.987) 10.099 3.198 ( -5.669 -16.198 7.907) 18.895 3.444 ( -13.722 11.469 5.804) 18.802 3.519 ( -0.343 -0.402 -6.547) 6.569 3.842 ( -10.214 0.437 -7.598) 12.737 4.050 ( 3.090 -5.412 3.295) 7.049 4.260 ( -0.335 8.250 0.178) 8.259 4.324 ( -4.511 7.840 -5.575) 10.625 4.413 ( -12.968 -0.660 -1.752) 13.103 4.494 ( -2.500 0.713 8.025) 8.435 4.623 ( -5.586 -2.742 5.397) 8.237 4.712 ( -3.094 5.194 2.558) 6.565 4.903 ( 2.819 1.529 2.640) 4.154 4.990 ( -1.091 2.736 9.457) 9.905 5.054 ( -7.266 1.743 -10.345) 12.761 5.149 ( 3.800 -0.338 3.275) 5.028 5.248 ( -7.870 -6.329 -2.692) 10.452 5.302 ( 4.364 1.281 -1.710) 4.859 5.523 ( 0.345 2.996 -3.751) 4.813 5.629 ( -5.019 -2.520 4.971) 7.500 5.683 ( -0.000 -2.520 -1.905) 3.159 5.769 ( 0.820 -4.044 1.591) 4.422 5.842 ( -2.803 0.952 7.691) 8.241 6.073 ( 0.050 -9.402 3.339) 9.977 6.210 ( -3.545 3.729 -6.845) 8.562 6.354 ( -1.109 -2.795 -5.526) 6.292 6.436 ( 4.627 -0.412 -5.832) 7.456 6.518 ( -1.528 -6.654 -0.348) 6.836 6.764 ( 0.362 10.825 -3.700) 11.445 6.866 ( 7.295 3.184 -0.494) 7.975 6.914 ( 2.845 8.669 1.802) 9.301 7.014 ( 6.217 2.472 1.496) 6.855 7.153 ( 6.173 5.042 -3.214) 8.594 7.258 ( 4.190 2.087 2.319) 5.223 7.305 ( 4.697 3.145 4.380) 7.151 7.390 ( 1.810 -7.226 -6.544) 9.915 7.558 ( 2.476 2.538 0.280) 3.557 7.619 ( 3.484 3.487 -1.546) 5.165 7.694 ( 3.603 3.718 -8.200) 9.698 8.032 ( 7.923 -3.841 -5.022) 10.136 8.169 ( 1.056 -2.422 -5.209) 5.841 8.216 ( 0.706 -2.341 -0.162) 2.451 8.285 ( -4.994 -5.278 -0.870) 7.318 8.319 ( -0.498 -3.173 -0.322) 3.228 8.582 ( -1.056 3.654 5.782) 6.921 8.826 ( -2.615 -1.412 -1.087) 3.165 8.893 ( 1.023 -0.320 4.538) 4.663 9.163 ( 5.696 -5.171 2.967) 8.246 9.609 ( 1.665 1.555 2.544) 3.415 9.756 ( 2.018 -6.292 5.625) 8.677 10.341 ( 16.520 5.676 3.209) 17.760 10.562 ( 14.215 -5.989 2.415) 15.613 17.591 ( -0.612 1.090 -0.273) 1.280 17.640 ( 0.184 0.468 0.824) 0.966 17.649 ( -0.492 -0.337 -0.601) 0.847 17.697 ( 0.156 -0.791 -0.036) 0.807 17.978 ( -0.225 0.232 0.849) 0.908 17.991 ( -0.320 -0.312 0.463) 0.643 18.018 ( 0.064 0.147 -0.205) 0.261 18.024 ( -0.101 -0.085 -0.275) 0.305 30.327 ( 0.399 0.867 -0.061) 0.956 30.357 ( 1.122 -0.461 0.892) 1.506 30.461 ( -3.891 2.376 -2.112) 5.024 30.510 ( -3.067 0.788 -1.462) 3.487 49.259 ( -6.384 1.442 -1.021) 6.624 49.387 ( -7.456 -3.634 1.504) 8.429 49.734 ( -3.718 6.238 -2.873) 7.809 49.979 ( -7.203 -3.724 -11.208) 13.834 ======================= Grid point 152 (83/128) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 4.966 21.646 17.834) 28.482 1.970 ( -15.177 25.707 10.806) 31.749 2.613 ( 4.264 -20.568 3.670) 21.324 2.890 ( -7.095 1.636 12.017) 14.050 2.935 ( -7.552 -9.477 2.512) 12.376 3.108 ( -5.716 -3.088 0.155) 6.498 3.296 ( -4.982 6.215 10.130) 12.886 3.553 ( 5.092 -3.710 -3.348) 7.135 3.613 ( -7.743 3.878 -7.094) 11.194 3.979 ( -11.667 2.902 -4.633) 12.885 4.089 ( -14.175 -1.185 -7.193) 15.939 4.212 ( 5.666 -6.456 6.308) 10.657 4.378 ( 2.929 6.634 -0.056) 7.252 4.521 ( -3.386 -1.759 6.780) 7.780 4.600 ( 0.796 -2.836 0.004) 2.946 4.655 ( -8.115 3.097 4.608) 9.833 4.856 ( -2.538 1.574 -2.918) 4.175 4.968 ( 1.103 -1.938 -3.988) 4.569 5.032 ( -5.020 -8.333 6.244) 11.559 5.106 ( 2.295 -2.784 5.542) 6.612 5.263 ( 3.756 3.069 2.905) 5.653 5.372 ( 3.205 1.835 -0.050) 3.693 5.474 ( -4.280 3.084 3.684) 6.435 5.564 ( -7.817 -1.354 8.340) 11.511 5.647 ( -0.546 0.586 -2.365) 2.497 5.812 ( 0.277 -4.008 -2.330) 4.645 5.870 ( 3.403 1.472 2.890) 4.701 6.097 ( -1.433 3.569 -7.428) 8.364 6.136 ( 4.993 -3.810 -3.890) 7.388 6.250 ( -4.414 -6.079 -2.254) 7.844 6.493 ( 0.306 -1.523 -1.880) 2.439 6.497 ( 1.931 -3.664 -1.470) 4.395 6.688 ( -1.059 7.050 -6.357) 9.552 6.959 ( -1.705 4.420 1.549) 4.984 7.034 ( 5.296 6.556 4.227) 9.428 7.101 ( 4.345 -2.014 -4.591) 6.634 7.195 ( 3.924 2.545 -6.332) 7.872 7.328 ( 2.888 5.601 -5.396) 8.296 7.401 ( 1.737 3.034 2.191) 4.126 7.422 ( 2.327 3.252 5.354) 6.682 7.572 ( 1.911 2.165 -2.598) 3.885 7.693 ( 1.796 1.993 -4.625) 5.346 7.708 ( 2.393 0.961 3.074) 4.012 8.028 ( -1.468 -5.975 -11.015) 12.616 8.059 ( -5.884 -1.634 -7.046) 9.324 8.165 ( -0.065 -4.313 -5.962) 7.359 8.288 ( 1.968 0.728 0.215) 2.109 8.373 ( 3.682 -2.385 -1.390) 4.601 8.645 ( 2.324 3.578 8.792) 9.772 8.748 ( -3.638 1.728 -0.666) 4.082 8.987 ( 2.488 -2.427 7.856) 8.591 9.271 ( 3.155 -8.357 0.943) 8.982 9.696 ( 3.586 2.837 7.154) 8.490 9.886 ( 4.560 -6.339 10.832) 13.353 10.592 ( 7.540 4.007 -3.663) 9.292 10.812 ( 8.476 -6.095 -1.185) 10.507 17.582 ( -0.083 1.400 0.076) 1.405 17.629 ( -0.821 0.996 -0.433) 1.362 17.657 ( 0.603 -0.879 0.601) 1.224 17.698 ( 0.022 -0.938 -0.082) 0.941 17.979 ( -0.414 0.068 0.893) 0.986 17.987 ( -0.457 -0.209 0.545) 0.741 18.019 ( 0.173 0.036 -0.464) 0.497 18.020 ( 0.020 -0.021 -0.209) 0.211 30.323 ( -0.541 0.649 -1.296) 1.547 30.353 ( -1.970 -0.667 -1.524) 2.578 30.407 ( -0.198 1.395 1.489) 2.050 30.452 ( -1.382 -0.086 0.453) 1.457 49.163 ( -1.525 1.441 -2.181) 3.027 49.239 ( -6.197 -1.831 -2.081) 6.788 49.645 ( -1.945 6.524 -4.428) 8.121 49.772 ( -6.502 1.848 -5.146) 8.496 ======================= Grid point 153 (84/128) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -1.993 -21.524 7.827) 22.989 2.183 ( -1.993 21.524 7.827) 22.989 2.493 ( -0.504 -16.308 9.294) 18.777 2.493 ( -0.504 16.308 9.294) 18.777 2.978 ( 1.979 -4.806 -1.238) 5.343 2.978 ( 1.979 4.806 -1.238) 5.343 3.430 ( -1.377 -4.687 -5.092) 7.056 3.430 ( -1.377 4.687 -5.092) 7.056 3.695 ( -4.804 -8.167 -1.614) 9.612 3.695 ( -4.804 8.167 -1.614) 9.612 4.116 ( -1.852 -17.094 14.172) 22.282 4.116 ( -1.852 17.094 14.172) 22.282 4.476 ( 1.007 -1.837 -3.254) 3.870 4.476 ( 1.007 1.837 -3.254) 3.870 4.555 ( 1.690 -2.259 2.614) 3.847 4.555 ( 1.690 2.259 2.614) 3.847 4.819 ( 1.483 -2.136 -3.301) 4.202 4.819 ( 1.483 2.136 -3.301) 4.202 5.106 ( -0.878 -7.241 7.334) 10.344 5.106 ( -0.878 7.241 7.334) 10.344 5.424 ( 1.540 -2.254 6.853) 7.377 5.424 ( 1.540 2.254 6.853) 7.377 5.458 ( -4.892 -2.962 3.182) 6.545 5.458 ( -4.892 2.962 3.182) 6.545 5.736 ( 2.559 -4.174 -0.144) 4.898 5.736 ( 2.559 4.174 -0.144) 4.898 6.031 ( -1.342 -4.749 -9.454) 10.665 6.031 ( -1.342 4.749 -9.454) 10.665 6.136 ( 3.030 -5.255 -1.105) 6.166 6.136 ( 3.030 5.255 -1.105) 6.166 6.458 ( 0.616 -3.024 -0.776) 3.182 6.458 ( 0.616 3.024 -0.776) 3.182 6.786 ( -0.566 -6.743 -5.982) 9.032 6.786 ( -0.566 6.743 -5.982) 9.032 7.187 ( 0.518 -4.885 3.627) 6.106 7.187 ( 0.518 4.885 3.627) 6.106 7.296 ( 1.870 -3.702 -1.756) 4.504 7.296 ( 1.870 3.702 -1.756) 4.504 7.518 ( 0.541 -1.386 0.901) 1.740 7.518 ( 0.541 1.386 0.901) 1.740 7.673 ( 0.628 -3.939 -2.120) 4.517 7.673 ( 0.628 3.939 -2.120) 4.517 7.777 ( -3.692 -4.740 -2.839) 6.646 7.777 ( -3.692 4.740 -2.839) 6.646 7.952 ( -2.845 -4.243 -7.727) 9.263 7.952 ( -2.845 4.243 -7.727) 9.263 8.352 ( 2.927 -2.815 -7.534) 8.559 8.352 ( 2.927 2.815 -7.534) 8.559 8.760 ( -1.129 -1.769 8.627) 8.879 8.760 ( -1.129 1.769 8.627) 8.879 9.127 ( 0.570 -6.480 0.986) 6.580 9.127 ( 0.570 6.480 0.986) 6.580 9.948 ( 3.835 -5.714 12.998) 14.708 9.948 ( 3.835 5.714 12.998) 14.708 10.665 ( -6.184 -5.507 -6.614) 10.598 10.665 ( -6.184 5.507 -6.614) 10.598 17.613 ( -0.019 -0.828 -0.085) 0.832 17.613 ( -0.019 0.828 -0.085) 0.832 17.675 ( 0.170 -0.873 0.219) 0.916 17.675 ( 0.170 0.873 0.219) 0.916 17.978 ( -0.475 -0.278 0.694) 0.885 17.978 ( -0.475 0.278 0.694) 0.885 18.020 ( 0.232 -0.109 -0.327) 0.415 18.020 ( 0.232 0.109 -0.327) 0.415 30.301 ( -0.856 -0.441 -0.832) 1.272 30.301 ( -0.856 0.441 -0.832) 1.272 30.460 ( 1.994 -0.710 0.856) 2.283 30.460 ( 1.994 0.710 0.856) 2.283 49.148 ( -0.677 -0.561 -1.882) 2.077 49.148 ( -0.677 0.561 -1.882) 2.077 49.707 ( 2.847 -1.847 -3.949) 5.207 49.707 ( 2.847 1.847 -3.949) 5.207 ======================= Grid point 155 (85/128) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.377 -18.591 7.941) 20.219 2.199 ( 0.377 18.591 7.941) 20.219 2.567 ( -2.275 -7.638 11.042) 13.618 2.567 ( -2.275 7.638 11.042) 13.618 3.012 ( 3.027 -6.550 -1.560) 7.383 3.012 ( 3.027 6.550 -1.560) 7.383 3.379 ( 3.926 -0.901 -5.073) 6.477 3.379 ( 3.926 0.901 -5.073) 6.477 3.731 ( 3.504 -4.711 2.070) 6.225 3.731 ( 3.504 4.711 2.070) 6.225 4.154 ( -3.178 -11.678 9.313) 15.271 4.154 ( -3.178 11.678 9.313) 15.271 4.425 ( 1.508 -6.932 -11.098) 13.171 4.425 ( 1.508 6.932 -11.098) 13.171 4.660 ( 3.808 -0.740 1.371) 4.114 4.660 ( 3.808 0.740 1.371) 4.114 4.968 ( 7.531 -10.288 10.063) 16.242 4.968 ( 7.531 10.288 10.063) 16.242 5.089 ( -3.294 -12.017 8.019) 14.818 5.089 ( -3.294 12.017 8.019) 14.818 5.408 ( 1.149 -6.635 0.317) 6.741 5.408 ( 1.149 6.635 0.317) 6.741 5.534 ( 3.263 -5.086 3.970) 7.230 5.534 ( 3.263 5.086 3.970) 7.230 5.794 ( 3.204 -1.657 -1.839) 4.049 5.794 ( 3.204 1.657 -1.839) 4.049 5.946 ( -2.257 -5.716 -2.978) 6.829 5.946 ( -2.257 5.716 -2.978) 6.829 6.093 ( -0.874 -4.507 -10.170) 11.158 6.093 ( -0.874 4.507 -10.170) 11.158 6.445 ( -1.555 -6.846 -2.519) 7.459 6.445 ( -1.555 6.846 -2.519) 7.459 6.776 ( 2.364 -3.137 -4.634) 6.075 6.776 ( 2.364 3.137 -4.634) 6.075 7.217 ( -0.369 -6.560 6.917) 9.540 7.217 ( -0.369 6.560 6.917) 9.540 7.325 ( 1.290 -1.273 -0.834) 1.995 7.325 ( 1.290 1.273 -0.834) 1.995 7.487 ( -4.398 -3.524 0.410) 5.651 7.487 ( -4.398 3.524 0.410) 5.651 7.628 ( -4.652 -3.082 -0.849) 5.644 7.628 ( -4.652 3.082 -0.849) 5.644 7.687 ( -2.800 -6.565 0.691) 7.170 7.687 ( -2.800 6.565 0.691) 7.170 7.895 ( 2.326 -1.766 -5.909) 6.591 7.895 ( 2.326 1.766 -5.909) 6.591 8.339 ( 2.545 -3.502 -9.211) 10.177 8.339 ( 2.545 3.502 -9.211) 10.177 8.775 ( -3.817 -3.377 7.182) 8.806 8.775 ( -3.817 3.377 7.182) 8.806 9.121 ( -1.399 -4.660 -0.119) 4.867 9.121 ( -1.399 4.660 -0.119) 4.867 10.075 ( -1.626 -5.827 11.628) 13.107 10.075 ( -1.626 5.827 11.628) 13.107 10.402 ( -13.835 -4.669 -5.102) 15.467 10.402 ( -13.835 4.669 -5.102) 15.467 17.613 ( 0.027 -0.284 -0.048) 0.289 17.613 ( 0.027 0.284 -0.048) 0.289 17.680 ( 0.241 -0.177 0.076) 0.309 17.680 ( 0.241 0.177 0.076) 0.309 17.975 ( -0.371 -0.429 0.633) 0.849 17.975 ( -0.371 0.429 0.633) 0.849 18.023 ( 0.312 -0.196 -0.233) 0.436 18.023 ( 0.312 0.196 -0.233) 0.436 30.289 ( -0.130 -0.765 -0.239) 0.811 30.289 ( -0.130 0.765 -0.239) 0.811 30.515 ( 3.169 -0.358 -0.636) 3.252 30.515 ( 3.169 0.358 -0.636) 3.252 49.126 ( -0.104 -2.814 -1.361) 3.128 49.126 ( -0.104 2.814 -1.361) 3.128 49.812 ( 10.242 -6.164 -4.139) 12.650 49.812 ( 10.242 6.164 -4.139) 12.650 ======================= Grid point 157 (86/128) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 7.734 -8.322 5.957) 12.828 2.344 ( 7.734 8.322 5.957) 12.828 2.602 ( 0.294 -2.890 9.087) 9.540 2.602 ( 0.294 2.890 9.087) 9.540 3.079 ( 3.831 -6.923 0.959) 7.970 3.079 ( 3.831 6.923 0.959) 7.970 3.495 ( 7.168 -2.779 1.370) 7.809 3.495 ( 7.168 2.779 1.370) 7.809 3.778 ( -1.074 -1.799 3.297) 3.906 3.778 ( -1.074 1.799 3.297) 3.906 4.142 ( -0.149 -7.546 -2.498) 7.950 4.142 ( -0.149 7.546 -2.498) 7.950 4.407 ( 3.349 -5.637 -6.462) 9.206 4.407 ( 3.349 5.637 -6.462) 9.206 4.705 ( -4.952 -4.296 7.230) 9.760 4.705 ( -4.952 4.296 7.230) 9.760 4.945 ( -0.880 -3.860 3.648) 5.384 4.945 ( -0.880 3.860 3.648) 5.384 5.308 ( 8.690 -7.617 -0.838) 11.586 5.308 ( 8.690 7.617 -0.838) 11.586 5.508 ( 3.126 -7.929 5.777) 10.297 5.508 ( 3.126 7.929 5.777) 10.297 5.605 ( 2.548 -6.043 -0.182) 6.561 5.605 ( 2.548 6.043 -0.182) 6.561 5.802 ( 0.022 -2.155 -0.594) 2.236 5.802 ( 0.022 2.155 -0.594) 2.236 5.912 ( 1.408 -7.705 0.040) 7.832 5.912 ( 1.408 7.705 0.040) 7.832 6.064 ( 4.915 -6.769 -2.743) 8.804 6.064 ( 4.915 6.769 -2.743) 8.804 6.379 ( 0.028 -10.134 -8.159) 13.010 6.379 ( 0.028 10.134 -8.159) 13.010 6.772 ( 0.698 -2.860 -3.333) 4.447 6.772 ( 0.698 2.860 -3.333) 4.447 7.236 ( -5.052 -8.799 1.737) 10.294 7.236 ( -5.052 8.799 1.737) 10.294 7.299 ( -3.909 -4.610 2.146) 6.414 7.299 ( -3.909 4.610 2.146) 6.414 7.401 ( -3.234 -6.007 1.256) 6.937 7.401 ( -3.234 6.007 1.256) 6.937 7.527 ( -4.205 -3.533 -0.101) 5.494 7.527 ( -4.205 3.533 -0.101) 5.494 7.663 ( -1.488 -8.606 2.125) 8.988 7.663 ( -1.488 8.606 2.125) 8.988 7.934 ( 4.779 -3.035 -3.806) 6.822 7.934 ( 4.779 3.035 -3.806) 6.822 8.315 ( 1.828 -4.835 -8.274) 9.756 8.315 ( 1.828 4.835 -8.274) 9.756 8.723 ( -6.286 -5.286 6.127) 10.247 8.723 ( -6.286 5.286 6.127) 10.247 9.079 ( -2.277 -5.797 -0.692) 6.266 9.079 ( -2.277 5.797 -0.692) 6.266 9.993 ( -9.669 -5.280 -3.287) 11.497 9.993 ( -9.669 5.280 -3.287) 11.497 10.174 ( -9.925 -3.564 9.177) 13.979 10.174 ( -9.925 3.564 9.177) 13.979 17.614 ( 0.103 -0.877 -0.002) 0.883 17.614 ( 0.103 0.877 -0.002) 0.883 17.684 ( 0.170 -0.396 -0.071) 0.437 17.684 ( 0.170 0.396 -0.071) 0.437 17.973 ( -0.268 -0.429 0.568) 0.761 17.973 ( -0.268 0.429 0.568) 0.761 18.028 ( 0.293 -0.276 -0.133) 0.424 18.028 ( 0.293 0.276 -0.133) 0.424 30.291 ( 0.228 -0.902 0.653) 1.137 30.291 ( 0.228 0.902 0.653) 1.137 30.561 ( 2.424 -0.835 -2.055) 3.286 30.561 ( 2.424 0.835 -2.055) 3.286 49.142 ( 2.274 -3.834 0.632) 4.502 49.142 ( 2.274 3.834 0.632) 4.502 49.997 ( 11.259 -7.775 -5.170) 14.627 49.997 ( 11.259 7.775 -5.170) 14.627 ======================= Grid point 159 (87/128) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 3.783 -5.350 -3.679) 7.514 2.478 ( 3.783 5.350 -3.679) 7.514 2.792 ( 8.633 -4.577 13.846) 16.947 2.792 ( 8.633 4.578 13.846) 16.947 3.160 ( 1.256 -5.678 5.303) 7.870 3.160 ( 1.256 5.678 5.303) 7.870 3.598 ( 4.353 -2.894 -3.951) 6.552 3.598 ( 4.353 2.894 -3.951) 6.552 3.768 ( -2.939 -1.844 5.069) 6.143 3.768 ( -2.939 1.844 5.069) 6.143 4.158 ( 5.046 -7.310 -2.954) 9.361 4.158 ( 5.046 7.310 -2.954) 9.361 4.397 ( -4.324 -5.104 4.751) 8.205 4.397 ( -4.324 5.104 4.751) 8.205 4.637 ( -3.488 -2.079 4.812) 6.297 4.637 ( -3.488 2.079 4.812) 6.297 5.071 ( 7.866 -6.762 2.124) 10.588 5.071 ( 7.866 6.762 2.124) 10.588 5.362 ( 0.351 -3.413 -5.746) 6.692 5.362 ( 0.351 3.413 -5.746) 6.692 5.518 ( -0.915 -5.285 2.145) 5.777 5.518 ( -0.915 5.285 2.145) 5.777 5.639 ( 1.524 -3.199 0.301) 3.556 5.639 ( 1.524 3.199 0.301) 3.556 5.769 ( -0.999 -2.315 -3.113) 4.006 5.769 ( -0.999 2.315 -3.113) 4.006 5.986 ( 0.803 -6.335 4.073) 7.574 5.986 ( 0.803 6.335 4.073) 7.574 6.183 ( 2.369 -6.467 -4.726) 8.353 6.183 ( 2.369 6.467 -4.726) 8.353 6.441 ( 14.446 -10.490 -2.425) 18.017 6.441 ( 14.446 10.490 -2.425) 18.017 6.764 ( 0.150 -2.803 -0.863) 2.937 6.764 ( 0.150 2.803 -0.863) 2.937 7.072 ( -8.233 -2.206 -3.304) 9.142 7.072 ( -8.233 2.206 -3.304) 9.142 7.185 ( -8.944 -2.758 -0.057) 9.360 7.185 ( -8.944 2.758 -0.057) 9.360 7.336 ( -5.044 -5.994 2.474) 8.215 7.336 ( -5.044 5.994 2.474) 8.215 7.495 ( 0.611 -4.938 -2.465) 5.553 7.495 ( 0.611 4.938 -2.465) 5.553 7.658 ( -0.630 -6.282 2.991) 6.986 7.658 ( -0.630 6.282 2.991) 6.986 7.997 ( 3.788 -4.514 -2.380) 6.355 7.997 ( 3.788 4.514 -2.380) 6.355 8.291 ( 1.043 -2.240 -4.598) 5.220 8.291 ( 1.043 2.240 -4.598) 5.220 8.653 ( -4.773 -6.178 5.973) 9.830 8.653 ( -4.773 6.178 5.973) 9.830 9.030 ( -2.041 -8.720 -0.827) 8.994 9.030 ( -2.041 8.720 -0.827) 8.994 9.800 ( -5.649 -5.495 -3.754) 8.729 9.800 ( -5.649 5.495 -3.754) 8.729 10.047 ( -10.484 -3.858 7.822) 13.637 10.047 ( -10.484 3.858 7.822) 13.637 17.616 ( 0.142 -1.011 0.051) 1.022 17.616 ( 0.142 1.011 0.051) 1.022 17.686 ( 0.077 -0.417 -0.154) 0.452 17.686 ( 0.077 0.417 -0.154) 0.452 17.973 ( -0.166 -0.352 0.565) 0.686 17.973 ( -0.166 0.352 0.565) 0.686 18.032 ( 0.157 -0.297 -0.115) 0.355 18.032 ( 0.157 0.297 -0.115) 0.355 30.305 ( 0.223 -0.690 1.457) 1.627 30.305 ( 0.223 0.690 1.457) 1.627 30.582 ( 1.631 -1.245 -2.356) 3.124 30.582 ( 1.631 1.245 -2.356) 3.124 49.222 ( 3.863 -4.080 3.814) 6.790 49.222 ( 3.863 4.080 3.814) 6.790 50.143 ( 7.936 -6.418 -6.921) 12.332 50.143 ( 7.936 6.418 -6.921) 12.332 ======================= Grid point 161 (88/128) ======================= q-point: (-0.56 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -4.101 -3.693 -5.519) 7.805 2.444 ( -4.101 3.693 -5.519) 7.805 2.989 ( -1.214 -2.729 11.674) 12.050 2.989 ( -1.214 2.729 11.674) 12.050 3.187 ( -2.555 -0.426 6.157) 6.679 3.187 ( -2.555 0.426 6.157) 6.679 3.651 ( -0.615 -5.684 -2.397) 6.200 3.651 ( -0.615 5.684 -2.397) 6.200 3.778 ( 7.506 -4.713 2.433) 9.191 3.778 ( 7.506 4.713 2.433) 9.191 4.302 ( 8.698 -9.357 2.591) 13.036 4.302 ( 8.698 9.357 2.591) 13.036 4.369 ( -3.483 -6.150 8.479) 11.039 4.369 ( -3.483 6.150 8.479) 11.039 4.612 ( -1.178 -4.437 1.401) 4.800 4.612 ( -1.178 4.437 1.401) 4.800 5.201 ( 0.830 -7.248 6.183) 9.563 5.201 ( 0.830 7.248 6.183) 9.563 5.321 ( 1.520 -3.509 -8.502) 9.323 5.321 ( 1.520 3.509 -8.502) 9.323 5.490 ( -4.038 -4.206 -0.209) 5.835 5.490 ( -4.038 4.206 -0.209) 5.835 5.652 ( -1.207 -5.155 4.597) 7.012 5.652 ( -1.207 5.155 4.597) 7.012 5.805 ( 4.949 -6.599 -1.834) 8.450 5.805 ( 4.949 6.599 -1.834) 8.450 6.015 ( 1.721 -4.328 -0.008) 4.658 6.015 ( 1.721 4.328 -0.008) 4.658 6.116 ( -1.265 -6.271 -7.926) 10.186 6.116 ( -1.265 6.271 -7.926) 10.186 6.631 ( 1.895 -13.307 -1.779) 13.559 6.631 ( 1.895 13.307 -1.779) 13.559 6.769 ( -3.004 -4.014 -1.527) 5.241 6.769 ( -3.004 4.014 -1.527) 5.241 6.914 ( -2.802 -7.903 -1.599) 8.536 6.914 ( -2.802 7.903 -1.599) 8.536 7.045 ( -1.608 -2.780 -1.526) 3.555 7.045 ( -1.608 2.780 -1.526) 3.555 7.272 ( -2.280 -2.975 2.796) 4.676 7.272 ( -2.280 2.975 2.796) 4.676 7.465 ( -0.861 -6.358 -4.534) 7.856 7.465 ( -0.861 6.358 -4.534) 7.856 7.695 ( 3.244 -6.716 -0.224) 7.462 7.695 ( 3.244 6.716 -0.224) 7.462 8.057 ( 3.738 -5.142 -0.392) 6.370 8.057 ( 3.738 5.142 -0.392) 6.370 8.287 ( 0.615 -6.953 -0.820) 7.028 8.287 ( 0.615 6.953 -0.820) 7.028 8.639 ( -1.851 -3.930 6.549) 7.859 8.639 ( -1.851 3.930 6.549) 7.859 8.989 ( -1.343 -10.275 -0.856) 10.398 8.989 ( -1.343 10.275 -0.856) 10.398 9.723 ( -0.666 -3.956 -1.754) 4.378 9.723 ( -0.666 3.956 -1.754) 4.378 9.901 ( -7.871 -2.756 3.937) 9.223 9.901 ( -7.871 2.756 3.937) 9.223 17.619 ( 0.089 -0.731 0.089) 0.742 17.619 ( 0.089 0.731 0.089) 0.742 17.685 ( -0.013 -0.189 -0.183) 0.263 17.685 ( -0.013 0.189 -0.183) 0.263 17.976 ( -0.046 -0.346 0.612) 0.705 17.976 ( -0.046 0.346 0.612) 0.705 18.032 ( -0.036 -0.268 -0.162) 0.315 18.032 ( -0.036 0.268 -0.162) 0.315 30.316 ( -0.379 -0.246 1.725) 1.783 30.316 ( -0.379 0.246 1.725) 1.783 30.597 ( 1.628 -1.297 -2.045) 2.918 30.597 ( 1.628 1.297 -2.045) 2.918 49.331 ( 2.681 -3.319 6.500) 7.775 49.331 ( 2.681 3.319 6.500) 7.775 50.193 ( 3.199 -5.183 -8.704) 10.623 50.193 ( 3.199 5.183 -8.704) 10.623 ======================= Grid point 163 (89/128) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -12.866 -3.487 -2.779) 13.617 2.235 ( -12.866 3.487 -2.779) 13.617 2.966 ( -8.580 -7.564 13.510) 17.702 2.966 ( -8.580 7.564 13.510) 17.702 3.145 ( -6.025 -2.267 4.405) 7.800 3.145 ( -6.025 2.267 4.405) 7.800 3.599 ( -1.252 -5.971 -1.612) 6.310 3.599 ( -1.252 5.971 -1.612) 6.310 4.031 ( 12.612 -6.944 3.356) 14.783 4.031 ( 12.612 6.944 3.356) 14.783 4.288 ( -7.803 -6.703 1.511) 10.397 4.288 ( -7.803 6.703 1.511) 10.397 4.514 ( 8.472 -5.201 1.624) 10.072 4.514 ( 8.472 5.201 1.624) 10.072 4.705 ( 7.666 -3.220 6.373) 10.476 4.705 ( 7.666 3.220 6.373) 10.476 5.136 ( -13.080 -1.079 -3.706) 13.637 5.136 ( -13.080 1.079 -3.706) 13.637 5.219 ( -2.648 -2.855 0.221) 3.900 5.219 ( -2.648 2.855 0.221) 3.900 5.478 ( 1.362 -6.766 2.503) 7.341 5.478 ( 1.362 6.766 2.503) 7.341 5.666 ( -1.989 -9.846 1.501) 10.157 5.666 ( -1.989 9.846 1.501) 10.157 5.753 ( -7.627 -1.352 -1.667) 7.924 5.753 ( -7.627 1.352 -1.667) 7.924 5.988 ( -3.208 -0.950 -2.631) 4.256 5.988 ( -3.208 0.950 -2.631) 4.256 6.188 ( 12.350 -3.054 -5.437) 13.835 6.188 ( 12.350 3.054 -5.437) 13.835 6.552 ( -5.961 -9.490 -4.078) 11.926 6.552 ( -5.961 9.490 -4.078) 11.926 6.693 ( -0.891 -3.778 2.555) 4.647 6.693 ( -0.891 3.778 2.555) 4.647 6.874 ( 0.353 -5.566 2.619) 6.162 6.874 ( 0.353 5.566 2.619) 6.162 7.098 ( 3.812 -5.372 -2.146) 6.928 7.098 ( 3.812 5.372 -2.146) 6.928 7.274 ( -0.605 -2.757 0.009) 2.823 7.274 ( -0.605 2.757 0.009) 2.823 7.445 ( 4.067 -0.252 -4.437) 6.024 7.445 ( 4.067 0.252 -4.437) 6.024 7.769 ( 5.745 -8.278 -4.620) 11.084 7.769 ( 5.745 8.278 -4.620) 11.084 8.119 ( 2.109 -3.453 -0.042) 4.047 8.119 ( 2.109 3.453 -0.042) 4.047 8.303 ( 0.998 -9.403 0.057) 9.456 8.303 ( 0.998 9.403 0.057) 9.456 8.651 ( -3.065 -5.354 7.901) 10.024 8.651 ( -3.065 5.354 7.901) 10.024 8.979 ( 1.349 -7.643 -1.079) 7.836 8.979 ( 1.349 7.643 -1.079) 7.836 9.684 ( -3.395 -3.385 -0.488) 4.819 9.684 ( -3.395 3.385 -0.488) 4.819 9.888 ( 5.441 -5.183 2.934) 8.067 9.888 ( 5.441 5.183 2.934) 8.067 17.621 ( -0.019 -0.161 0.085) 0.183 17.621 ( -0.019 0.161 0.085) 0.183 17.682 ( -0.111 -0.297 -0.168) 0.359 17.682 ( -0.111 0.297 -0.168) 0.359 17.980 ( -0.020 -0.393 0.626) 0.739 17.980 ( -0.020 0.393 0.626) 0.739 18.028 ( -0.149 -0.231 -0.186) 0.332 18.028 ( -0.149 0.231 -0.186) 0.332 30.319 ( -0.552 -0.036 1.697) 1.785 30.319 ( -0.552 0.036 1.697) 1.785 30.608 ( 0.850 -0.787 -2.193) 2.480 30.608 ( 0.850 0.787 -2.193) 2.480 49.407 ( -0.611 -1.329 7.140) 7.288 49.407 ( -0.611 1.329 7.140) 7.288 50.139 ( -1.254 -6.535 -9.613) 11.691 50.139 ( -1.254 6.535 -9.613) 11.691 ======================= Grid point 165 (90/128) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -11.239 -13.736 2.534) 17.928 1.977 ( -11.239 13.736 2.534) 17.928 2.887 ( -11.952 -15.169 17.356) 25.965 2.887 ( -11.952 15.169 17.356) 25.965 3.049 ( -5.290 -1.995 1.954) 5.982 3.049 ( -5.290 1.995 1.954) 5.982 3.581 ( 0.421 -4.982 -2.372) 5.534 3.581 ( 0.421 4.982 -2.372) 5.534 4.079 ( -7.127 -3.543 -7.765) 11.120 4.079 ( -7.127 3.543 -7.765) 11.120 4.309 ( 7.916 -5.166 7.584) 12.119 4.309 ( 7.916 5.166 7.584) 12.119 4.636 ( -0.930 -7.361 5.095) 9.000 4.636 ( -0.930 7.361 5.095) 9.000 4.768 ( -9.765 -3.353 -4.174) 11.137 4.768 ( -9.765 3.353 -4.174) 11.137 4.930 ( 1.469 -5.407 1.342) 5.762 4.930 ( 1.469 5.407 1.342) 5.762 5.187 ( -1.042 -3.609 2.365) 4.439 5.187 ( -1.042 3.609 2.365) 4.439 5.410 ( -12.814 -8.800 -1.248) 15.595 5.410 ( -12.814 8.800 -1.248) 15.595 5.545 ( -0.753 -3.527 -4.143) 5.493 5.545 ( -0.753 3.527 -4.143) 5.493 5.690 ( -1.209 -1.330 3.957) 4.346 5.690 ( -1.209 1.330 3.957) 4.346 5.940 ( -2.532 -4.210 2.063) 5.328 5.940 ( -2.532 4.210 2.063) 5.328 6.336 ( 3.804 -1.630 -2.556) 4.864 6.336 ( 3.804 1.630 -2.556) 4.864 6.439 ( 0.092 -3.160 -6.928) 7.615 6.439 ( 0.092 3.160 -6.928) 7.615 6.747 ( 4.666 -1.779 2.659) 5.657 6.747 ( 4.666 1.779 2.659) 5.657 6.987 ( 5.029 -3.720 6.388) 8.940 6.987 ( 5.029 3.720 6.388) 8.940 7.150 ( 2.468 -0.617 3.049) 3.971 7.150 ( 2.468 0.617 3.049) 3.971 7.242 ( 1.975 -5.709 -8.402) 10.348 7.242 ( 1.975 5.709 -8.402) 10.348 7.540 ( 6.283 -4.181 -1.259) 7.652 7.540 ( 6.283 4.181 -1.259) 7.652 7.830 ( 5.738 -8.243 -9.258) 13.659 7.830 ( 5.738 8.243 -9.258) 13.659 8.147 ( 0.926 -1.945 1.203) 2.467 8.147 ( 0.926 1.945 1.203) 2.467 8.295 ( -1.246 -3.686 -2.570) 4.663 8.295 ( -1.246 3.686 -2.570) 4.663 8.656 ( -2.170 -7.469 8.505) 11.525 8.656 ( -2.170 7.469 8.505) 11.525 9.007 ( 1.824 -3.806 -1.325) 4.423 9.007 ( 1.824 3.806 -1.325) 4.423 9.630 ( -1.428 -3.466 1.027) 3.887 9.630 ( -1.428 3.466 1.027) 3.887 10.119 ( 14.166 -6.315 3.903) 15.994 10.119 ( 14.166 6.315 3.903) 15.994 17.620 ( -0.107 -0.624 0.028) 0.634 17.620 ( -0.107 0.624 0.028) 0.634 17.678 ( -0.204 -0.800 -0.095) 0.831 17.678 ( -0.204 0.800 -0.095) 0.831 17.983 ( -0.133 -0.398 0.591) 0.725 17.983 ( -0.133 0.398 0.591) 0.725 18.024 ( -0.122 -0.189 -0.171) 0.283 18.024 ( -0.122 0.189 -0.171) 0.283 30.326 ( 0.150 -0.250 1.472) 1.500 30.326 ( 0.150 0.250 1.472) 1.500 30.583 ( -1.716 -0.657 -2.710) 3.274 30.583 ( -1.716 0.657 -2.710) 3.274 49.404 ( -4.435 -2.068 4.562) 6.690 49.404 ( -4.435 2.068 4.562) 6.690 50.013 ( -4.092 -7.820 -8.393) 12.179 50.013 ( -4.092 7.820 -8.393) 12.179 ======================= Grid point 167 (91/128) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.150 -22.837 7.217) 23.951 1.897 ( -0.150 22.837 7.217) 23.951 2.753 ( -13.381 -20.262 12.589) 27.351 2.753 ( -13.381 20.262 12.589) 27.351 2.983 ( -3.664 -2.714 3.310) 5.635 2.983 ( -3.664 2.714 3.310) 5.635 3.534 ( -2.638 -0.419 -5.724) 6.316 3.534 ( -2.638 0.419 -5.724) 6.316 3.935 ( -2.015 -5.640 -0.896) 6.056 3.935 ( -2.015 5.640 -0.896) 6.056 4.364 ( -11.935 -3.201 0.106) 12.357 4.364 ( -11.935 3.201 0.106) 12.357 4.523 ( 0.082 -6.643 1.050) 6.726 4.523 ( 0.082 6.643 1.050) 6.726 4.649 ( -7.455 -11.890 1.160) 14.082 4.649 ( -7.455 11.890 1.160) 14.082 4.953 ( -1.641 -4.479 11.167) 12.143 4.953 ( -1.641 4.479 11.167) 12.143 5.106 ( -10.728 -3.553 -6.208) 12.893 5.106 ( -10.728 3.553 -6.208) 12.893 5.255 ( 4.556 -4.923 -2.799) 7.268 5.255 ( 4.556 4.923 -2.799) 7.268 5.554 ( 0.155 -2.700 2.686) 3.812 5.554 ( 0.155 2.700 2.686) 3.812 5.712 ( 2.251 -2.666 -1.856) 3.953 5.712 ( 2.251 2.666 -1.856) 3.953 5.904 ( -4.407 -5.355 9.349) 11.641 5.904 ( -4.407 5.355 9.349) 11.641 6.295 ( -3.110 -3.827 -5.393) 7.308 6.295 ( -3.110 3.827 -5.393) 7.308 6.431 ( 2.804 -1.526 -5.600) 6.446 6.431 ( 2.804 1.526 -5.600) 6.446 6.918 ( 8.917 -0.820 1.389) 9.062 6.918 ( 8.917 0.820 1.389) 9.062 7.025 ( -3.880 -3.862 2.385) 5.971 7.025 ( -3.880 3.862 2.385) 5.971 7.239 ( 5.837 -4.492 -7.878) 10.785 7.239 ( 5.837 4.492 -7.878) 10.785 7.304 ( 6.164 -2.397 6.123) 9.013 7.304 ( 6.164 2.397 6.123) 9.013 7.629 ( 4.232 -2.734 -3.796) 6.308 7.629 ( 4.232 2.734 -3.796) 6.308 7.861 ( 4.535 -10.303 -9.019) 14.424 7.861 ( 4.535 10.303 -9.019) 14.424 8.161 ( -0.195 -1.850 -3.929) 4.347 8.161 ( -0.195 1.850 -3.929) 4.347 8.258 ( 0.602 -2.233 0.925) 2.491 8.258 ( 0.602 2.233 0.925) 2.491 8.690 ( -1.345 -6.563 7.601) 10.132 8.690 ( -1.345 6.563 7.601) 10.132 9.031 ( 1.822 -7.555 -0.235) 7.775 9.031 ( 1.822 7.555 -0.235) 7.775 9.655 ( 1.945 -3.200 4.267) 5.677 9.655 ( 1.945 3.200 4.267) 5.677 10.448 ( 15.530 -4.936 2.304) 16.458 10.448 ( 15.530 4.936 2.304) 16.458 17.617 ( -0.127 -1.359 -0.057) 1.366 17.617 ( -0.127 1.359 -0.057) 1.366 17.674 ( -0.220 -1.332 0.054) 1.351 17.674 ( -0.220 1.332 0.054) 1.351 17.984 ( -0.279 -0.325 0.614) 0.749 17.984 ( -0.279 0.325 0.614) 0.749 18.021 ( -0.043 -0.135 -0.214) 0.256 18.021 ( -0.043 0.135 -0.214) 0.256 30.345 ( 0.680 -0.729 0.610) 1.169 30.345 ( 0.680 0.729 0.610) 1.169 30.503 ( -4.101 -1.365 -2.053) 4.785 30.503 ( -4.101 1.365 -2.053) 4.785 49.311 ( -6.215 -3.295 -0.042) 7.035 49.311 ( -6.215 3.295 -0.042) 7.035 49.870 ( -4.838 -6.249 -5.364) 9.551 49.870 ( -4.838 6.249 -5.364) 9.551 ======================= Grid point 169 (92/128) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 6.839 -23.138 9.656) 25.988 2.048 ( 6.839 23.138 9.656) 25.988 2.568 ( -11.111 -21.125 4.791) 24.345 2.568 ( -11.111 21.125 4.791) 24.345 2.958 ( -1.359 -4.637 3.530) 5.984 2.958 ( -1.359 4.637 3.530) 5.984 3.453 ( -1.178 -5.389 -1.819) 5.809 3.453 ( -1.178 5.389 -1.819) 5.809 3.921 ( -6.152 -14.603 -0.951) 15.874 3.921 ( -6.152 14.603 -0.951) 15.874 4.086 ( -8.258 -3.405 0.223) 8.936 4.086 ( -8.258 3.405 0.223) 8.936 4.473 ( -6.136 -3.247 8.753) 11.172 4.473 ( -6.136 3.247 8.753) 11.172 4.584 ( -1.716 -3.343 -0.066) 3.758 4.584 ( -1.716 3.343 -0.066) 3.758 4.892 ( -3.030 -3.182 -10.823) 11.681 4.892 ( -3.030 3.182 -10.823) 11.681 5.038 ( -0.050 -4.802 11.009) 12.011 5.038 ( -0.050 4.802 11.009) 12.011 5.334 ( 3.900 -3.541 1.150) 5.392 5.334 ( 3.900 3.541 1.150) 5.392 5.540 ( -5.500 -2.096 6.579) 8.828 5.540 ( -5.500 2.096 6.579) 8.828 5.716 ( 0.528 -4.936 -2.635) 5.620 5.716 ( 0.528 4.936 -2.635) 5.620 5.981 ( 5.129 -8.327 7.445) 12.291 5.981 ( 5.129 8.327 7.445) 12.291 6.171 ( -3.685 -3.162 -7.695) 9.099 6.171 ( -3.685 3.162 -7.695) 9.099 6.451 ( 2.254 -0.125 -3.564) 4.218 6.451 ( 2.254 0.125 -3.564) 4.218 6.890 ( -4.419 -9.235 -6.093) 11.914 6.890 ( -4.419 9.235 -6.093) 11.914 7.104 ( 4.740 -0.934 4.240) 6.428 7.104 ( 4.740 0.934 4.240) 6.428 7.282 ( 3.072 -5.436 -4.698) 7.814 7.282 ( 3.072 5.436 -4.698) 7.814 7.453 ( 4.250 -0.707 3.872) 5.793 7.453 ( 4.250 0.707 3.872) 5.793 7.661 ( 2.868 -3.775 -4.475) 6.520 7.661 ( 2.868 3.775 -4.475) 6.520 7.848 ( 0.024 -8.919 -6.305) 10.922 7.848 ( 0.024 8.919 -6.305) 10.922 8.079 ( -2.704 -2.866 -8.089) 8.998 8.079 ( -2.704 2.866 -8.089) 8.998 8.322 ( 3.848 -2.247 -1.340) 4.653 8.322 ( 3.848 2.247 -1.340) 4.653 8.715 ( -1.403 -3.263 7.786) 8.558 8.715 ( -1.403 3.263 7.786) 8.558 9.084 ( 2.432 -8.676 1.748) 9.179 9.084 ( 2.432 8.676 1.748) 9.179 9.771 ( 4.569 -4.473 9.055) 11.085 9.771 ( 4.569 4.473 9.055) 11.085 10.689 ( 7.483 -5.353 -2.503) 9.535 10.689 ( 7.483 5.353 -2.503) 9.535 17.615 ( -0.073 -1.551 -0.102) 1.556 17.615 ( -0.073 1.551 -0.102) 1.556 17.672 ( -0.066 -1.456 0.211) 1.473 17.672 ( -0.066 1.456 0.211) 1.473 17.982 ( -0.423 -0.212 0.688) 0.835 17.982 ( -0.423 0.212 0.688) 0.835 18.019 ( 0.080 -0.049 -0.314) 0.328 18.019 ( 0.080 0.049 -0.314) 0.328 30.338 ( -1.473 -0.742 -1.439) 2.189 30.338 ( -1.473 0.742 -1.439) 2.189 30.437 ( -0.994 -1.234 0.968) 1.857 30.437 ( -0.994 1.234 0.968) 1.857 49.199 ( -3.492 -1.901 -2.136) 4.513 49.199 ( -3.492 1.901 -2.136) 4.513 49.751 ( -3.409 -3.402 -3.879) 6.184 49.751 ( -3.409 3.402 -3.879) 6.184 ======================= Grid point 189 (93/128) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 12.312 0.000 28.794) 31.316 1.993 ( 5.419 0.000 29.160) 29.659 2.356 ( -8.062 0.000 -24.797) 26.074 2.574 ( -6.072 0.000 -25.681) 26.389 3.244 ( -1.700 0.000 8.981) 9.141 3.423 ( -2.603 0.000 -0.697) 2.695 3.503 ( -4.191 0.000 39.880) 40.100 3.583 ( 6.403 0.000 7.244) 9.668 3.739 ( -6.797 0.000 -8.525) 10.903 3.949 ( 4.460 0.000 -1.073) 4.587 3.978 ( -2.983 0.000 0.631) 3.049 4.199 ( 5.460 0.000 -0.390) 5.474 4.438 ( 3.117 0.000 4.354) 5.354 4.497 ( -3.465 0.000 -0.759) 3.547 4.574 ( -3.159 0.000 3.804) 4.945 4.618 ( 1.698 0.000 -7.506) 7.696 4.680 ( -1.606 0.000 -19.286) 19.352 4.844 ( 1.479 0.000 -12.854) 12.939 5.048 ( -3.079 0.000 6.706) 7.379 5.149 ( -4.793 0.000 -2.672) 5.487 5.376 ( 1.448 0.000 5.412) 5.603 5.455 ( -0.608 0.000 -2.289) 2.369 5.520 ( 3.478 0.000 5.774) 6.741 5.524 ( 3.033 0.000 0.548) 3.082 5.634 ( 6.954 0.000 -0.521) 6.973 5.783 ( -0.555 0.000 -12.844) 12.856 5.959 ( -6.692 0.000 4.919) 8.305 6.004 ( 2.853 0.000 -4.182) 5.062 6.149 ( -0.161 0.000 12.141) 12.142 6.304 ( 4.196 0.000 8.103) 9.125 6.416 ( -7.106 0.000 -10.981) 13.080 6.490 ( 1.478 0.000 -11.008) 11.107 6.518 ( -5.830 0.000 4.938) 7.640 6.651 ( 4.778 0.000 -8.140) 9.439 6.886 ( -10.836 0.000 9.817) 14.622 6.948 ( 6.342 0.000 2.232) 6.723 7.050 ( 3.135 0.000 4.941) 5.852 7.159 ( -1.987 0.000 -2.894) 3.511 7.474 ( 10.878 0.000 4.140) 11.639 7.532 ( -2.558 0.000 -0.438) 2.595 7.619 ( -2.020 0.000 0.703) 2.139 7.712 ( -1.161 0.000 -9.854) 9.923 7.818 ( -4.095 0.000 0.576) 4.135 7.876 ( 4.497 0.000 -1.910) 4.886 7.999 ( 5.566 0.000 4.812) 7.358 8.149 ( -4.217 0.000 -7.695) 8.775 8.326 ( -1.429 0.000 4.074) 4.318 8.403 ( 1.171 0.000 -4.866) 5.004 8.545 ( -0.712 0.000 4.155) 4.216 8.600 ( 0.147 0.000 -1.335) 1.343 9.453 ( 1.077 0.000 1.713) 2.024 9.491 ( -0.794 0.000 -2.134) 2.277 9.991 ( 5.085 0.000 13.099) 14.051 10.247 ( -6.577 0.000 -12.586) 14.201 10.540 ( 3.502 0.000 14.656) 15.069 10.792 ( -6.393 0.000 -11.039) 12.756 17.573 ( 1.202 0.000 0.128) 1.208 17.575 ( -0.915 0.000 -0.123) 0.924 17.699 ( -0.092 0.000 0.337) 0.349 17.705 ( 0.125 0.000 -0.258) 0.287 17.989 ( -1.045 0.000 0.837) 1.339 18.003 ( -0.111 0.000 0.619) 0.629 18.004 ( 0.553 0.000 -0.641) 0.846 18.015 ( 0.265 0.000 -0.567) 0.626 30.330 ( -1.355 0.000 0.416) 1.417 30.337 ( 1.371 0.000 -0.342) 1.413 30.403 ( -1.131 0.000 0.447) 1.216 30.413 ( 0.882 0.000 -0.577) 1.054 49.108 ( -7.435 0.000 1.329) 7.553 49.136 ( 7.033 0.000 -1.598) 7.212 49.422 ( 17.695 0.000 1.648) 17.772 49.462 ( -10.695 0.000 -2.350) 10.950 ======================= Grid point 190 (94/128) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 6.001 0.000 -20.542) 21.401 2.271 ( 1.533 0.000 -11.804) 11.903 2.402 ( 21.480 0.000 7.883) 22.881 2.455 ( 11.257 0.000 20.394) 23.295 3.295 ( -0.895 0.000 10.252) 10.291 3.382 ( -0.489 0.000 -5.716) 5.737 3.504 ( -7.054 0.000 -3.267) 7.774 3.691 ( -3.732 0.000 21.413) 21.736 3.737 ( 2.714 0.000 5.302) 5.956 4.056 ( 4.637 0.000 9.308) 10.399 4.058 ( 6.053 0.000 3.791) 7.142 4.219 ( 9.735 0.000 -29.792) 31.342 4.442 ( -1.656 0.000 4.563) 4.854 4.494 ( -0.345 0.000 1.636) 1.672 4.626 ( 5.039 0.000 -10.364) 11.524 4.629 ( 0.801 0.000 10.126) 10.157 4.660 ( 7.623 0.000 2.173) 7.927 4.801 ( 0.813 0.000 -0.996) 1.286 4.978 ( -9.736 0.000 0.389) 9.744 4.989 ( -5.788 0.000 4.686) 7.447 5.341 ( -6.923 0.000 -5.008) 8.544 5.384 ( -2.680 0.000 1.562) 3.102 5.502 ( -3.594 0.000 -3.399) 4.946 5.574 ( 0.510 0.000 -3.299) 3.338 5.686 ( 0.515 0.000 -13.120) 13.131 5.763 ( 5.731 0.000 1.370) 5.893 5.907 ( -2.133 0.000 4.763) 5.219 6.096 ( 6.335 0.000 -0.153) 6.337 6.229 ( -4.563 0.000 11.549) 12.418 6.235 ( -1.893 0.000 -6.207) 6.489 6.392 ( -7.313 0.000 9.122) 11.692 6.483 ( 5.154 0.000 -12.279) 13.317 6.538 ( 7.411 0.000 6.819) 10.071 6.644 ( -0.656 0.000 -3.883) 3.938 6.820 ( 0.050 0.000 10.144) 10.144 7.019 ( -3.967 0.000 -1.412) 4.211 7.121 ( 2.720 0.000 -4.022) 4.856 7.169 ( 5.388 0.000 2.092) 5.779 7.485 ( 4.326 0.000 -9.034) 10.016 7.552 ( -5.240 0.000 3.274) 6.179 7.657 ( -0.648 0.000 -4.420) 4.467 7.707 ( 5.883 0.000 3.337) 6.764 7.786 ( 1.297 0.000 0.454) 1.375 7.930 ( -10.505 0.000 -8.901) 13.769 7.958 ( 6.401 0.000 -3.963) 7.528 8.088 ( -1.163 0.000 6.418) 6.522 8.314 ( -3.162 0.000 3.931) 5.045 8.383 ( 0.452 0.000 -3.450) 3.479 8.543 ( -2.614 0.000 3.458) 4.335 8.581 ( -0.230 0.000 -1.590) 1.606 9.454 ( -1.348 0.000 -2.244) 2.618 9.480 ( 0.316 0.000 1.609) 1.640 9.934 ( -15.134 0.000 -9.307) 17.767 10.110 ( -3.547 0.000 12.666) 13.153 10.534 ( -10.686 0.000 -9.088) 14.028 10.648 ( -4.392 0.000 14.540) 15.189 17.561 ( -0.331 0.000 -0.313) 0.456 17.599 ( 1.347 0.000 -0.115) 1.352 17.698 ( -0.294 0.000 0.301) 0.421 17.703 ( -0.180 0.000 -0.354) 0.398 17.980 ( -0.582 0.000 1.138) 1.278 18.005 ( -0.150 0.000 0.496) 0.518 18.008 ( 0.156 0.000 -0.405) 0.434 18.018 ( 0.612 0.000 -0.591) 0.851 30.311 ( -0.897 0.000 -0.017) 0.897 30.367 ( 1.927 0.000 -0.314) 1.952 30.385 ( -1.018 0.000 0.475) 1.123 30.426 ( 0.725 0.000 -0.009) 0.725 49.028 ( -1.697 0.000 1.817) 2.486 49.304 ( -0.990 0.000 -4.119) 4.236 49.316 ( 11.899 0.000 -1.248) 11.964 49.793 ( 19.483 0.000 -7.440) 20.855 ======================= Grid point 191 (95/128) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 20.752 0.000 -14.908) 25.551 2.190 ( 9.531 0.000 -22.047) 24.019 2.805 ( 9.180 0.000 16.738) 19.090 2.917 ( 13.481 0.000 15.899) 20.845 3.257 ( -3.559 0.000 -4.532) 5.763 3.361 ( -1.040 0.000 10.572) 10.623 3.518 ( -0.971 0.000 10.452) 10.497 3.736 ( -3.830 0.000 0.615) 3.879 3.758 ( 5.316 0.000 3.203) 6.207 4.099 ( 1.292 0.000 -8.325) 8.424 4.180 ( 7.296 0.000 -25.716) 26.731 4.255 ( 10.370 0.000 3.993) 11.112 4.426 ( -8.083 0.000 -0.891) 8.132 4.542 ( -6.747 0.000 4.825) 8.295 4.693 ( 10.651 0.000 15.470) 18.782 4.737 ( -0.365 0.000 16.230) 16.234 4.829 ( 6.218 0.000 -2.675) 6.769 4.861 ( 2.130 0.000 9.961) 10.186 4.935 ( 7.293 0.000 3.072) 7.914 5.007 ( 10.120 0.000 -7.092) 12.357 5.219 ( -0.909 0.000 0.339) 0.970 5.322 ( -2.832 0.000 -2.631) 3.865 5.372 ( -6.294 0.000 -3.854) 7.380 5.534 ( 1.426 0.000 -8.609) 8.726 5.618 ( 2.620 0.000 -11.076) 11.382 5.842 ( -0.220 0.000 2.268) 2.278 5.926 ( -2.406 0.000 8.838) 9.160 6.101 ( -2.200 0.000 -5.319) 5.756 6.108 ( -9.840 0.000 7.494) 12.369 6.249 ( 1.063 0.000 -6.099) 6.191 6.371 ( -3.684 0.000 10.583) 11.206 6.470 ( 1.670 0.000 -5.006) 5.277 6.593 ( -0.990 0.000 -0.498) 1.108 6.708 ( 4.376 0.000 4.813) 6.505 6.910 ( -2.142 0.000 -8.523) 8.788 6.977 ( 4.676 0.000 5.953) 7.570 7.120 ( -0.009 0.000 -2.771) 2.771 7.171 ( -8.015 0.000 -6.721) 10.460 7.503 ( -2.633 0.000 2.844) 3.876 7.527 ( 5.966 0.000 -10.835) 12.370 7.573 ( -11.521 0.000 0.514) 11.533 7.610 ( -0.918 0.000 -2.576) 2.734 7.764 ( 0.765 0.000 -5.598) 5.650 7.961 ( 7.461 0.000 9.508) 12.086 7.989 ( -2.984 0.000 -3.463) 4.571 8.126 ( 3.827 0.000 4.992) 6.290 8.273 ( -4.104 0.000 5.519) 6.877 8.382 ( 1.164 0.000 -1.625) 1.999 8.503 ( -2.704 0.000 1.260) 2.983 8.576 ( 0.543 0.000 -1.655) 1.742 9.376 ( -6.546 0.000 -3.262) 7.314 9.487 ( -0.792 0.000 1.439) 1.643 9.605 ( -10.137 0.000 -4.288) 11.006 10.032 ( -12.222 0.000 7.469) 14.324 10.278 ( -8.675 0.000 -6.302) 10.723 10.599 ( -9.836 0.000 11.123) 14.848 17.560 ( 0.474 0.000 -0.173) 0.504 17.623 ( 1.335 0.000 -0.214) 1.352 17.692 ( -0.604 0.000 -0.476) 0.769 17.693 ( -0.395 0.000 0.334) 0.517 17.982 ( -0.238 0.000 1.186) 1.209 18.005 ( -0.142 0.000 0.442) 0.465 18.005 ( 0.016 0.000 -0.499) 0.499 18.025 ( 0.406 0.000 -0.453) 0.608 30.293 ( -0.393 0.000 -0.803) 0.894 30.372 ( -0.517 0.000 0.275) 0.586 30.399 ( 1.181 0.000 -0.042) 1.182 30.441 ( 0.646 0.000 0.219) 0.682 49.071 ( 3.752 0.000 3.847) 5.374 49.387 ( 8.884 0.000 3.097) 9.408 49.555 ( 13.091 0.000 -2.280) 13.288 50.023 ( 11.971 0.000 -12.825) 17.544 ======================= Grid point 192 (96/128) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 16.955 0.000 -12.863) 21.282 2.568 ( 23.152 0.000 -4.873) 23.660 3.053 ( 5.071 0.000 9.373) 10.656 3.130 ( -1.432 0.000 8.299) 8.422 3.258 ( 7.142 0.000 -0.636) 7.170 3.368 ( -5.617 0.000 6.435) 8.542 3.524 ( -4.056 0.000 10.778) 11.516 3.669 ( -3.038 0.000 3.832) 4.890 3.832 ( -4.189 0.000 1.588) 4.480 4.141 ( 5.184 0.000 -11.901) 12.981 4.190 ( -10.806 0.000 -2.328) 11.053 4.251 ( 17.476 0.000 2.615) 17.670 4.409 ( -10.668 0.000 12.623) 16.527 4.528 ( 8.873 0.000 6.533) 11.018 4.788 ( 3.237 0.000 0.786) 3.331 4.852 ( 6.708 0.000 -8.676) 10.967 4.987 ( 6.470 0.000 5.537) 8.516 5.088 ( 8.778 0.000 -7.512) 11.553 5.107 ( -0.657 0.000 3.061) 3.131 5.190 ( 2.424 0.000 -8.302) 8.648 5.198 ( 1.752 0.000 -3.383) 3.810 5.308 ( 6.085 0.000 15.088) 16.268 5.352 ( 6.383 0.000 2.991) 7.049 5.551 ( 9.153 0.000 -9.955) 13.523 5.639 ( 6.886 0.000 -6.802) 9.679 5.806 ( -3.035 0.000 2.986) 4.257 5.927 ( -13.442 0.000 -2.440) 13.661 5.928 ( -0.862 0.000 7.687) 7.736 6.079 ( -2.957 0.000 12.678) 13.018 6.145 ( -0.703 0.000 -6.780) 6.816 6.291 ( -16.287 0.000 2.295) 16.448 6.549 ( 7.283 0.000 -2.885) 7.834 6.580 ( -0.794 0.000 -0.902) 1.202 6.688 ( -9.676 0.000 -6.814) 11.835 6.792 ( -2.249 0.000 -10.172) 10.417 6.844 ( -4.172 0.000 2.917) 5.090 7.103 ( -0.505 0.000 0.330) 0.603 7.116 ( 2.516 0.000 -1.148) 2.766 7.397 ( -6.642 0.000 4.633) 8.098 7.463 ( -7.021 0.000 1.629) 7.208 7.524 ( -4.196 0.000 -2.372) 4.820 7.570 ( 4.165 0.000 -11.482) 12.214 7.746 ( 1.001 0.000 -5.042) 5.141 7.875 ( -2.886 0.000 -5.231) 5.975 8.146 ( -1.906 0.000 9.822) 10.005 8.274 ( 4.127 0.000 7.314) 8.398 8.329 ( 6.238 0.000 12.122) 13.633 8.388 ( 2.408 0.000 -3.508) 4.255 8.491 ( 3.027 0.000 -0.128) 3.030 8.552 ( -1.286 0.000 -2.862) 3.138 9.140 ( -11.754 0.000 -4.330) 12.526 9.471 ( -1.867 0.000 0.926) 2.084 9.503 ( -0.629 0.000 -1.822) 1.928 9.773 ( -16.297 0.000 0.584) 16.307 10.127 ( -2.770 0.000 -2.271) 3.582 10.462 ( -10.781 0.000 6.950) 12.827 17.575 ( 1.013 0.000 0.202) 1.033 17.646 ( 1.170 0.000 -0.434) 1.248 17.673 ( -0.890 0.000 -0.435) 0.990 17.687 ( -0.504 0.000 0.378) 0.630 17.984 ( -0.369 0.000 0.904) 0.976 18.002 ( 0.024 0.000 -0.582) 0.583 18.008 ( 0.065 0.000 0.638) 0.641 18.027 ( 0.208 0.000 -0.424) 0.472 30.297 ( 1.568 0.000 -0.487) 1.642 30.370 ( 0.285 0.000 -0.151) 0.322 30.407 ( -0.518 0.000 0.292) 0.595 30.447 ( -0.185 0.000 -0.053) 0.193 49.221 ( 7.023 0.000 6.609) 9.643 49.623 ( 7.682 0.000 10.980) 13.400 49.755 ( 8.585 0.000 -4.130) 9.526 50.091 ( 7.233 0.000 -15.406) 17.020 ======================= Grid point 193 (97/128) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 17.936 0.000 -3.139) 18.209 2.850 ( -0.480 0.000 2.157) 2.210 3.075 ( -1.488 0.000 -2.703) 3.085 3.077 ( -8.052 0.000 5.798) 9.922 3.335 ( -1.072 0.000 7.733) 7.807 3.412 ( 5.929 0.000 1.089) 6.029 3.609 ( 4.127 0.000 11.887) 12.583 3.723 ( 6.417 0.000 -1.754) 6.653 3.729 ( -4.473 0.000 -1.029) 4.590 3.961 ( -9.898 0.000 -1.396) 9.996 4.238 ( 7.488 0.000 3.302) 8.184 4.363 ( -3.324 0.000 11.661) 12.126 4.620 ( 12.375 0.000 10.489) 16.222 4.638 ( -4.685 0.000 14.746) 15.473 4.852 ( -2.014 0.000 -9.458) 9.670 4.906 ( -5.647 0.000 -6.967) 8.968 4.998 ( 10.977 0.000 -1.433) 11.070 5.098 ( 1.160 0.000 -10.131) 10.197 5.132 ( 6.442 0.000 -1.273) 6.567 5.176 ( 5.229 0.000 -4.816) 7.109 5.305 ( 7.117 0.000 -1.998) 7.393 5.430 ( -3.168 0.000 4.772) 5.728 5.457 ( 2.733 0.000 -2.638) 3.799 5.591 ( -15.059 0.000 3.964) 15.572 5.602 ( -15.591 0.000 -5.528) 16.542 5.764 ( 3.194 0.000 -13.424) 13.798 5.785 ( -14.038 0.000 4.772) 14.827 5.797 ( 10.744 0.000 -8.787) 13.880 6.119 ( -4.163 0.000 14.945) 15.514 6.171 ( 4.849 0.000 1.363) 5.037 6.180 ( 15.111 0.000 6.638) 16.505 6.528 ( -2.418 0.000 -5.747) 6.235 6.601 ( -0.502 0.000 1.686) 1.759 6.640 ( 3.515 0.000 -5.784) 6.769 6.735 ( 3.058 0.000 -1.636) 3.469 6.792 ( -3.898 0.000 -0.522) 3.933 7.084 ( -3.184 0.000 1.790) 3.653 7.123 ( 0.262 0.000 -2.465) 2.478 7.310 ( -5.215 0.000 -0.284) 5.223 7.347 ( -5.859 0.000 8.171) 10.054 7.366 ( -5.902 0.000 -2.648) 6.469 7.584 ( 6.159 0.000 -15.058) 16.269 7.733 ( -0.891 0.000 1.921) 2.118 7.821 ( 0.102 0.000 -3.781) 3.783 8.138 ( -1.942 0.000 5.713) 6.034 8.257 ( -5.210 0.000 -0.106) 5.212 8.422 ( -0.834 0.000 3.748) 3.840 8.503 ( 0.507 0.000 -2.555) 2.605 8.543 ( 9.175 0.000 2.870) 9.613 8.752 ( 11.579 0.000 9.538) 15.001 8.913 ( -4.713 0.000 -3.696) 5.989 9.359 ( -12.776 0.000 -5.094) 13.754 9.499 ( 1.177 0.000 -1.533) 1.933 9.509 ( -5.734 0.000 0.666) 5.773 10.145 ( 4.839 0.000 0.993) 4.939 10.295 ( -9.850 0.000 3.177) 10.350 17.600 ( 1.135 0.000 0.540) 1.257 17.642 ( -1.028 0.000 -0.849) 1.333 17.671 ( 0.872 0.000 -0.164) 0.887 17.679 ( -0.644 0.000 0.346) 0.731 17.983 ( -0.386 0.000 0.786) 0.876 17.998 ( 0.102 0.000 -0.646) 0.654 18.015 ( 0.020 0.000 0.679) 0.679 18.028 ( 0.147 0.000 -0.385) 0.412 30.344 ( 2.969 0.000 0.188) 2.975 30.382 ( 1.079 0.000 -0.142) 1.088 30.385 ( -1.839 0.000 0.472) 1.898 30.429 ( -1.409 0.000 -0.767) 1.604 49.425 ( 7.364 0.000 8.774) 11.455 49.775 ( -2.094 0.000 -7.642) 7.924 49.797 ( -0.016 0.000 13.414) 13.414 50.120 ( 7.926 0.000 -15.776) 17.656 ======================= Grid point 194 (98/128) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -23.430 0.000 2.341) 23.547 2.793 ( -12.320 0.000 10.179) 15.981 3.040 ( 9.877 0.000 0.955) 9.923 3.106 ( 2.140 0.000 -0.092) 2.142 3.366 ( -3.077 0.000 6.277) 6.991 3.474 ( 0.672 0.000 -4.084) 4.139 3.654 ( -0.786 0.000 0.549) 0.959 3.712 ( -6.502 0.000 1.520) 6.677 3.845 ( 9.175 0.000 9.051) 12.888 3.885 ( 6.544 0.000 -14.372) 15.791 4.357 ( -9.687 0.000 -5.765) 11.273 4.434 ( 4.843 0.000 3.493) 5.971 4.591 ( -5.164 0.000 10.553) 11.749 4.648 ( -12.375 0.000 15.064) 19.495 4.836 ( 1.818 0.000 1.494) 2.353 4.845 ( 1.571 0.000 2.033) 2.569 5.013 ( -6.135 0.000 -2.780) 6.735 5.016 ( -6.262 0.000 -5.853) 8.572 5.063 ( -7.506 0.000 -5.630) 9.383 5.089 ( -12.744 0.000 2.690) 13.025 5.341 ( 8.364 0.000 1.587) 8.513 5.424 ( -5.176 0.000 7.905) 9.449 5.460 ( -0.053 0.000 -5.002) 5.003 5.514 ( 5.101 0.000 6.810) 8.509 5.606 ( 23.540 0.000 -7.912) 24.834 5.651 ( -7.219 0.000 4.799) 8.669 5.821 ( 8.676 0.000 -14.484) 16.883 5.953 ( 12.638 0.000 -10.174) 16.224 6.110 ( -7.409 0.000 11.346) 13.551 6.266 ( 1.174 0.000 -1.855) 2.196 6.378 ( 0.996 0.000 2.463) 2.657 6.393 ( -3.141 0.000 -11.838) 12.247 6.593 ( -2.614 0.000 2.908) 3.910 6.633 ( 0.066 0.000 -2.829) 2.830 6.735 ( -1.169 0.000 -2.664) 2.909 6.805 ( 4.192 0.000 -1.714) 4.529 7.054 ( -0.405 0.000 5.205) 5.220 7.112 ( 0.179 0.000 -1.458) 1.468 7.304 ( -3.647 0.000 8.964) 9.678 7.320 ( 4.234 0.000 4.280) 6.020 7.328 ( 3.546 0.000 -2.953) 4.615 7.571 ( 4.214 0.000 -13.691) 14.325 7.744 ( -0.163 0.000 4.703) 4.706 7.779 ( -3.040 0.000 -1.962) 3.618 8.199 ( 1.036 0.000 -0.189) 1.053 8.199 ( 3.641 0.000 5.670) 6.738 8.434 ( -0.540 0.000 3.860) 3.898 8.482 ( 0.582 0.000 -4.089) 4.131 8.648 ( -9.207 0.000 -5.918) 10.945 8.775 ( 10.301 0.000 4.816) 11.371 9.000 ( -15.616 0.000 -9.365) 18.209 9.213 ( 17.357 0.000 9.358) 19.719 9.470 ( -1.210 0.000 1.372) 1.830 9.525 ( 3.074 0.000 -0.956) 3.219 10.146 ( -6.586 0.000 1.323) 6.717 10.308 ( 10.166 0.000 1.420) 10.264 17.613 ( -1.268 0.000 -0.732) 1.464 17.625 ( 0.788 0.000 0.839) 1.151 17.668 ( -0.582 0.000 0.158) 0.603 17.686 ( 0.741 0.000 -0.344) 0.817 17.983 ( -0.220 0.000 0.868) 0.895 17.997 ( 0.266 0.000 -0.616) 0.671 18.018 ( -0.196 0.000 0.589) 0.621 18.027 ( 0.018 0.000 -0.466) 0.466 30.348 ( -2.171 0.000 -0.039) 2.171 30.388 ( -1.706 0.000 -0.884) 1.922 30.395 ( 1.804 0.000 -0.459) 1.861 30.412 ( 1.702 0.000 0.899) 1.925 49.602 ( -7.817 0.000 -9.258) 12.117 49.619 ( 4.930 0.000 8.685) 9.987 49.824 ( -7.196 0.000 13.254) 15.081 50.112 ( 3.039 0.000 -17.724) 17.983 ======================= Grid point 195 (99/128) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -25.945 0.000 9.009) 27.465 2.447 ( -27.589 0.000 9.038) 29.032 3.136 ( 0.378 0.000 1.768) 1.808 3.228 ( 4.255 0.000 -7.166) 8.334 3.293 ( -6.408 0.000 -0.054) 6.408 3.431 ( -0.016 0.000 4.265) 4.265 3.647 ( -0.311 0.000 2.315) 2.336 3.669 ( -5.728 0.000 8.903) 10.587 3.866 ( -15.634 0.000 -3.536) 16.028 3.891 ( 3.489 0.000 -7.877) 8.615 4.140 ( 8.277 0.000 5.109) 9.727 4.318 ( -14.490 0.000 -3.983) 15.028 4.636 ( -5.169 0.000 -0.578) 5.201 4.658 ( -12.490 0.000 -7.910) 14.784 4.726 ( 6.418 0.000 2.528) 6.898 4.765 ( -3.963 0.000 10.404) 11.133 4.897 ( -4.901 0.000 9.041) 10.284 4.955 ( -1.249 0.000 -2.658) 2.937 5.041 ( 0.632 0.000 8.721) 8.744 5.086 ( 7.068 0.000 -0.183) 7.071 5.330 ( -7.296 0.000 -8.749) 11.392 5.353 ( -6.465 0.000 8.661) 10.808 5.413 ( -3.102 0.000 -1.567) 3.476 5.576 ( -2.025 0.000 -2.183) 2.977 5.644 ( 7.138 0.000 -9.889) 12.197 5.912 ( 5.038 0.000 -6.240) 8.020 5.927 ( 9.351 0.000 -2.979) 9.814 6.037 ( -5.264 0.000 7.036) 8.788 6.069 ( 2.750 0.000 -10.622) 10.972 6.279 ( 6.183 0.000 -6.614) 9.053 6.357 ( 15.383 0.000 -7.154) 16.965 6.376 ( -5.171 0.000 9.084) 10.453 6.563 ( -0.922 0.000 2.359) 2.533 6.638 ( 3.289 0.000 -0.874) 3.403 6.699 ( 0.040 0.000 -1.022) 1.023 6.873 ( 2.766 0.000 0.355) 2.789 7.086 ( -3.303 0.000 1.731) 3.729 7.108 ( 1.868 0.000 1.373) 2.318 7.279 ( -4.686 0.000 11.810) 12.706 7.417 ( 5.029 0.000 -0.312) 5.038 7.504 ( 6.109 0.000 2.689) 6.675 7.568 ( 3.845 0.000 -7.121) 8.093 7.690 ( -3.330 0.000 -0.422) 3.357 7.835 ( 7.923 0.000 1.267) 8.024 8.282 ( 6.625 0.000 -1.756) 6.854 8.318 ( 2.386 0.000 4.442) 5.042 8.415 ( -8.712 0.000 -7.071) 11.220 8.456 ( -1.243 0.000 -2.125) 2.462 8.470 ( 0.626 0.000 5.361) 5.397 8.611 ( -13.052 0.000 -13.070) 18.470 9.042 ( 11.532 0.000 5.667) 12.849 9.469 ( 0.169 0.000 1.493) 1.502 9.480 ( 3.888 0.000 0.400) 3.908 9.729 ( 17.895 0.000 5.016) 18.585 10.082 ( -1.133 0.000 2.718) 2.945 10.533 ( 11.887 0.000 -0.576) 11.901 17.583 ( -1.209 0.000 -0.567) 1.336 17.634 ( -0.728 0.000 0.801) 1.082 17.667 ( 0.549 0.000 0.155) 0.571 17.695 ( 0.488 0.000 -0.389) 0.624 17.987 ( -0.050 0.000 0.893) 0.894 17.999 ( 0.422 0.000 -0.587) 0.723 18.017 ( -0.353 0.000 0.605) 0.700 18.021 ( -0.137 0.000 -0.607) 0.622 30.301 ( -1.743 0.000 -0.928) 1.975 30.367 ( -0.082 0.000 0.087) 0.120 30.411 ( 0.082 0.000 -0.039) 0.091 30.442 ( 0.547 0.000 0.457) 0.713 49.365 ( -8.764 0.000 -8.143) 11.963 49.673 ( -7.254 0.000 4.217) 8.391 49.793 ( -3.985 0.000 14.648) 15.180 49.932 ( -7.085 0.000 -20.238) 21.443 ======================= Grid point 196 (100/128) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -19.025 0.000 20.837) 28.216 1.927 ( -30.291 0.000 10.948) 32.208 3.121 ( -3.600 0.000 -13.598) 14.067 3.122 ( -7.593 0.000 -3.995) 8.580 3.177 ( 1.000 0.000 1.531) 1.828 3.372 ( -26.217 0.000 41.684) 49.243 3.565 ( 3.499 0.000 -9.371) 10.003 3.736 ( 6.855 0.000 -2.070) 7.161 3.806 ( 3.990 0.000 -4.199) 5.792 3.825 ( -21.344 0.000 -8.564) 22.998 3.934 ( -0.192 0.000 4.123) 4.128 4.331 ( 2.512 0.000 0.567) 2.575 4.481 ( -7.226 0.000 5.554) 9.114 4.500 ( -0.283 0.000 -4.766) 4.774 4.738 ( -8.804 0.000 7.314) 11.446 4.751 ( -6.165 0.000 6.393) 8.882 4.931 ( 6.165 0.000 -2.160) 6.532 4.936 ( 0.870 0.000 -2.668) 2.806 5.093 ( -6.741 0.000 -9.761) 11.862 5.151 ( 2.753 0.000 4.840) 5.568 5.215 ( 2.714 0.000 2.410) 3.630 5.328 ( -0.679 0.000 0.225) 0.715 5.341 ( 0.413 0.000 3.287) 3.312 5.518 ( 0.031 0.000 -27.688) 27.688 5.522 ( -0.387 0.000 -4.224) 4.242 5.969 ( 6.647 0.000 -7.518) 10.035 6.011 ( -0.771 0.000 5.688) 5.740 6.066 ( 0.629 0.000 -7.081) 7.109 6.079 ( -0.384 0.000 9.679) 9.687 6.249 ( 4.493 0.000 -6.425) 7.840 6.314 ( -7.469 0.000 9.249) 11.888 6.557 ( 5.376 0.000 -8.355) 9.935 6.610 ( 3.393 0.000 -1.676) 3.784 6.750 ( 4.302 0.000 5.712) 7.151 6.779 ( 2.308 0.000 -2.108) 3.126 7.010 ( -7.914 0.000 8.662) 11.733 7.017 ( 13.005 0.000 5.803) 14.241 7.119 ( 0.097 0.000 -4.253) 4.254 7.311 ( -0.634 0.000 7.747) 7.772 7.434 ( -4.118 0.000 5.219) 6.648 7.577 ( 1.069 0.000 2.163) 2.412 7.611 ( 4.491 0.000 -1.825) 4.848 7.714 ( 5.208 0.000 -0.253) 5.214 8.006 ( 6.084 0.000 -3.570) 7.054 8.200 ( -4.814 0.000 -3.311) 5.843 8.203 ( -10.282 0.000 -12.752) 16.381 8.368 ( -0.813 0.000 0.861) 1.184 8.425 ( 4.013 0.000 -8.968) 9.825 8.472 ( 2.539 0.000 3.017) 3.943 8.515 ( -0.785 0.000 4.627) 4.693 9.298 ( 8.777 0.000 4.779) 9.994 9.515 ( 1.169 0.000 -1.345) 1.782 9.523 ( 4.858 0.000 3.658) 6.081 10.122 ( 17.908 0.000 -0.752) 17.924 10.149 ( 4.142 0.000 6.863) 8.016 10.748 ( 11.442 0.000 -3.918) 12.095 17.560 ( -0.785 0.000 -0.149) 0.799 17.618 ( -1.203 0.000 0.390) 1.264 17.683 ( 0.632 0.000 0.413) 0.755 17.700 ( 0.326 0.000 -0.337) 0.469 17.993 ( -0.003 0.000 0.753) 0.753 18.002 ( 0.385 0.000 -0.828) 0.913 18.014 ( -0.494 0.000 0.674) 0.836 18.014 ( -0.045 0.000 -0.491) 0.493 30.285 ( 0.603 0.000 -0.091) 0.610 30.378 ( 1.034 0.000 -0.229) 1.059 30.397 ( -1.540 0.000 0.204) 1.554 30.441 ( -0.769 0.000 0.227) 0.802 49.164 ( -5.759 0.000 -5.620) 8.047 49.497 ( -12.313 0.000 3.911) 12.919 49.550 ( -15.974 0.000 -14.793) 21.771 49.800 ( -6.267 0.000 9.702) 11.550 ======================= Grid point 197 (101/128) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -14.049 0.000 24.014) 27.822 1.723 ( -4.347 0.000 30.480) 30.788 2.808 ( -15.654 0.000 -19.660) 25.131 2.884 ( -6.911 0.000 -20.187) 21.338 3.229 ( -1.750 0.000 7.272) 7.480 3.317 ( -15.192 0.000 50.439) 52.678 3.473 ( -2.884 0.000 -0.130) 2.887 3.516 ( -0.063 0.000 -11.126) 11.126 3.825 ( 0.620 0.000 -3.761) 3.812 3.872 ( 5.684 0.000 -2.229) 6.106 4.047 ( 4.619 0.000 9.862) 10.891 4.162 ( -10.464 0.000 -5.915) 12.020 4.412 ( -4.466 0.000 6.712) 8.062 4.566 ( -0.692 0.000 1.547) 1.694 4.626 ( -7.213 0.000 7.560) 10.449 4.660 ( -2.601 0.000 -3.298) 4.200 4.905 ( 0.042 0.000 -6.511) 6.511 4.911 ( -2.422 0.000 -19.696) 19.845 5.011 ( 3.753 0.000 -4.911) 6.181 5.182 ( 4.298 0.000 -8.378) 9.417 5.269 ( 3.578 0.000 3.873) 5.273 5.408 ( 2.731 0.000 7.276) 7.772 5.413 ( 5.944 0.000 -2.740) 6.545 5.442 ( 2.770 0.000 -1.009) 2.948 5.526 ( 3.263 0.000 -0.586) 3.316 5.914 ( -2.677 0.000 -11.836) 12.135 6.020 ( 0.849 0.000 -6.519) 6.574 6.046 ( -6.910 0.000 14.902) 16.426 6.083 ( 0.146 0.000 1.887) 1.893 6.252 ( -5.153 0.000 8.818) 10.214 6.399 ( 10.991 0.000 -5.469) 12.276 6.583 ( 6.051 0.000 -9.567) 11.320 6.603 ( -3.793 0.000 0.476) 3.822 6.693 ( -5.690 0.000 -8.131) 9.924 6.909 ( 1.134 0.000 10.389) 10.451 6.971 ( -7.193 0.000 -5.172) 8.860 6.977 ( 0.213 0.000 7.801) 7.804 7.194 ( 0.119 0.000 0.122) 0.171 7.331 ( -0.551 0.000 4.050) 4.087 7.497 ( 3.097 0.000 7.533) 8.145 7.615 ( 1.092 0.000 1.791) 2.098 7.739 ( 7.395 0.000 4.368) 8.588 7.810 ( 3.928 0.000 -3.235) 5.089 7.932 ( -6.172 0.000 -2.268) 6.576 7.945 ( -4.569 0.000 -10.689) 11.624 8.208 ( 2.860 0.000 -4.780) 5.571 8.335 ( -2.445 0.000 2.040) 3.184 8.412 ( 2.290 0.000 -7.281) 7.633 8.524 ( -0.881 0.000 4.125) 4.218 8.569 ( 3.467 0.000 0.869) 3.574 9.412 ( 1.919 0.000 2.060) 2.815 9.515 ( 0.031 0.000 -1.828) 1.829 9.743 ( 10.239 0.000 9.628) 14.055 10.330 ( 6.517 0.000 11.514) 13.231 10.336 ( 6.947 0.000 -9.757) 11.977 10.884 ( 5.807 0.000 -9.271) 10.940 17.555 ( 0.312 0.000 0.296) 0.430 17.596 ( -1.161 0.000 0.136) 1.168 17.695 ( 0.258 0.000 0.412) 0.486 17.703 ( 0.251 0.000 -0.262) 0.363 17.998 ( -0.128 0.000 0.617) 0.630 18.001 ( 0.326 0.000 -0.979) 1.032 18.006 ( -0.837 0.000 0.664) 1.069 18.014 ( 0.229 0.000 -0.372) 0.437 30.312 ( 1.637 0.000 -0.109) 1.641 30.361 ( -2.070 0.000 0.346) 2.098 30.397 ( 1.211 0.000 -0.693) 1.396 30.423 ( -1.185 0.000 0.315) 1.226 49.078 ( 0.650 0.000 -3.080) 3.148 49.251 ( -4.577 0.000 0.589) 4.615 49.283 ( -11.392 0.000 2.270) 11.615 49.682 ( -11.042 0.000 4.137) 11.791 ======================= Grid point 198 (102/128) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 3.476 6.719 27.025) 28.064 2.094 ( 10.712 9.875 25.439) 29.315 2.404 ( -5.276 3.586 -23.289) 24.147 2.603 ( -7.098 3.223 -22.102) 23.437 3.171 ( -2.650 -6.711 7.621) 10.495 3.323 ( 2.675 -9.870 -6.049) 11.881 3.526 ( 6.941 -5.161 5.561) 10.283 3.632 ( -6.669 4.512 25.717) 26.948 3.648 ( -10.727 -3.299 5.918) 12.688 3.835 ( 3.851 -5.313 1.825) 6.811 3.941 ( 1.324 -1.005 4.505) 4.802 4.279 ( 0.718 4.022 -1.394) 4.317 4.433 ( 2.893 -0.287 1.772) 3.404 4.514 ( 0.998 1.095 -3.125) 3.458 4.583 ( 0.260 -2.574 -4.660) 5.330 4.634 ( -3.758 2.967 6.675) 8.215 4.692 ( -1.890 2.018 -18.741) 18.944 4.892 ( -0.137 2.696 -14.676) 14.923 5.067 ( -1.017 1.384 7.892) 8.077 5.204 ( -1.387 4.487 -3.879) 6.091 5.325 ( -0.023 -3.027 3.760) 4.827 5.358 ( 0.057 -2.509 -0.552) 2.570 5.513 ( 2.299 0.187 3.041) 3.816 5.604 ( 2.487 4.177 0.423) 4.880 5.634 ( 5.713 -0.435 -0.030) 5.729 5.762 ( -2.064 -1.772 -8.092) 8.537 5.934 ( -4.832 -2.190 6.317) 8.249 5.997 ( 3.784 0.341 -3.405) 5.102 6.128 ( 1.562 -1.460 8.850) 9.105 6.338 ( -3.718 -6.928 -6.552) 10.235 6.396 ( 1.710 5.123 9.933) 11.307 6.497 ( -7.417 0.452 4.477) 8.675 6.601 ( 2.913 -1.043 -10.174) 10.634 6.706 ( 0.832 7.503 -12.649) 14.730 6.871 ( -8.001 2.832 5.090) 9.896 6.959 ( 7.814 2.630 -3.372) 8.907 7.157 ( 0.418 7.962 5.455) 9.660 7.213 ( 0.352 4.468 0.827) 4.557 7.484 ( 2.621 1.214 5.456) 6.173 7.552 ( 2.158 1.249 0.613) 2.568 7.611 ( -0.629 -0.758 0.646) 1.178 7.701 ( -1.494 -0.887 -9.283) 9.444 7.804 ( -2.706 -1.506 2.146) 3.767 7.853 ( 2.840 -2.918 1.259) 4.263 7.940 ( 4.199 -3.237 0.610) 5.337 8.079 ( -4.030 -5.754 -8.498) 11.026 8.278 ( -0.398 -3.281 1.982) 3.854 8.345 ( 0.220 -4.141 -4.573) 6.174 8.653 ( -0.384 7.633 3.913) 8.586 8.697 ( 0.183 6.845 -0.351) 6.856 9.355 ( 0.934 -8.055 3.441) 8.808 9.414 ( -0.596 -6.637 -2.724) 7.199 10.013 ( 4.510 2.078 12.774) 13.705 10.253 ( -4.786 0.424 -10.534) 11.578 10.515 ( 3.349 -2.102 12.522) 13.132 10.748 ( -6.881 -3.989 -10.352) 13.054 17.579 ( 0.975 0.575 0.257) 1.161 17.584 ( -0.803 0.728 -0.230) 1.108 17.695 ( 0.214 -0.396 0.358) 0.575 17.702 ( -0.129 -0.312 -0.312) 0.460 17.988 ( -0.906 -0.015 0.813) 1.218 17.999 ( 0.126 -0.215 0.134) 0.283 18.008 ( 0.211 0.180 -0.142) 0.312 18.015 ( 0.270 -0.008 -0.524) 0.589 30.314 ( -0.685 -1.059 0.397) 1.322 30.325 ( 0.395 -1.084 -0.669) 1.333 30.420 ( 0.337 1.500 0.815) 1.740 30.434 ( 0.164 1.535 -0.591) 1.653 49.105 ( -5.246 0.042 0.647) 5.286 49.130 ( 4.815 -0.452 -1.724) 5.134 49.497 ( 13.807 5.847 -0.056) 14.994 49.515 ( -8.349 4.363 -1.661) 9.565 ======================= Grid point 199 (103/128) ======================= q-point: ( 0.11 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 6.583 6.791 -5.784) 11.086 2.304 ( 4.190 -0.302 -18.454) 18.926 2.349 ( 9.912 3.996 5.836) 12.176 2.562 ( 13.037 5.987 17.077) 22.303 3.168 ( -3.538 -9.942 6.732) 12.517 3.307 ( -1.454 -8.731 -4.939) 10.136 3.430 ( -2.109 -4.976 -1.755) 5.683 3.713 ( -2.261 0.802 8.836) 9.156 3.762 ( 4.070 0.525 10.029) 10.836 3.908 ( 4.187 -7.131 0.443) 8.281 4.100 ( 4.416 0.949 13.129) 13.885 4.277 ( 5.242 3.641 -10.656) 12.421 4.447 ( -3.044 -3.957 -12.289) 13.264 4.559 ( 8.001 -1.031 -0.947) 8.122 4.566 ( 5.379 9.846 2.724) 11.545 4.649 ( -0.333 1.980 9.614) 9.822 4.705 ( 4.780 -3.041 3.062) 6.440 4.816 ( 1.070 3.241 -5.776) 6.709 4.983 ( -9.126 3.528 2.074) 10.002 5.130 ( -2.187 9.331 -1.449) 9.693 5.296 ( -5.076 -3.824 -1.533) 6.537 5.324 ( -2.144 -2.190 -0.183) 3.070 5.509 ( -2.562 1.400 -1.197) 3.156 5.604 ( -1.531 2.347 -4.103) 4.969 5.658 ( -0.400 -0.961 -8.566) 8.629 5.783 ( 6.466 0.401 1.843) 6.736 5.888 ( -1.844 -0.674 1.250) 2.327 6.079 ( 0.831 -0.452 -0.971) 1.355 6.152 ( -1.119 -4.104 -1.258) 4.436 6.296 ( 1.522 -2.281 12.098) 12.405 6.432 ( -5.919 1.922 4.886) 7.912 6.527 ( 4.204 2.031 -5.513) 7.224 6.607 ( 4.390 2.493 0.866) 5.122 6.655 ( 3.451 -1.492 -2.881) 4.736 6.805 ( -1.510 7.630 3.155) 8.393 7.033 ( -2.206 2.357 -1.809) 3.700 7.179 ( -0.464 3.990 -1.961) 4.470 7.233 ( 3.688 5.264 -0.305) 6.435 7.480 ( 1.697 -0.100 -4.902) 5.188 7.570 ( -4.055 1.689 2.866) 5.245 7.620 ( -1.455 -2.998 -3.060) 4.524 7.688 ( 3.381 -2.093 1.788) 4.360 7.778 ( -1.055 -1.681 -0.081) 1.986 7.893 ( -4.585 -2.322 -3.951) 6.482 7.929 ( 4.251 -2.194 -4.633) 6.659 8.021 ( -0.128 -5.073 5.195) 7.262 8.250 ( -3.004 -4.138 1.077) 5.226 8.348 ( 1.854 -3.040 -1.244) 3.772 8.633 ( -3.802 6.632 1.864) 7.869 8.684 ( -0.603 7.368 -0.370) 7.402 9.351 ( -2.762 -8.255 -0.711) 8.734 9.399 ( 0.262 -7.015 0.233) 7.024 9.971 ( -13.145 2.980 -8.326) 15.842 10.135 ( -3.051 2.074 10.257) 10.901 10.482 ( -11.118 -4.256 -7.488) 14.064 10.623 ( -4.140 -2.520 13.424) 14.272 17.569 ( -0.318 0.758 -0.322) 0.883 17.603 ( 1.244 0.432 0.076) 1.319 17.692 ( -0.448 -0.463 -0.231) 0.684 17.702 ( 0.016 -0.185 0.078) 0.202 17.981 ( -0.558 0.075 1.042) 1.184 18.001 ( -0.139 -0.314 0.377) 0.510 18.009 ( 0.163 0.128 -0.395) 0.446 18.020 ( 0.589 0.089 -0.434) 0.737 30.298 ( -0.768 -0.884 0.179) 1.185 30.339 ( 0.735 -1.428 0.279) 1.630 30.426 ( 0.369 2.418 -0.932) 2.618 30.449 ( 1.396 1.780 -0.044) 2.263 49.038 ( -1.490 1.040 1.627) 2.439 49.223 ( 4.577 -3.127 -1.248) 5.683 49.451 ( 5.416 7.666 -2.793) 9.793 49.805 ( 17.331 0.755 -6.572) 18.551 ======================= Grid point 200 (104/128) ======================= q-point: ( 0.22 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 8.311 0.510 -21.939) 23.466 2.343 ( 18.640 11.204 -12.341) 25.006 2.767 ( 13.742 -3.654 16.737) 21.962 2.879 ( 7.090 -3.994 11.786) 14.322 3.131 ( -3.025 -9.183 3.012) 10.127 3.263 ( -0.512 -7.187 2.885) 7.761 3.495 ( 0.551 -1.240 6.848) 6.981 3.725 ( 4.427 -1.963 0.978) 4.940 3.808 ( -3.671 4.820 5.583) 8.239 3.989 ( 3.427 -5.534 -6.914) 9.496 4.249 ( 8.023 -3.375 3.424) 9.353 4.299 ( 0.195 -2.957 -11.565) 11.939 4.325 ( -2.898 1.357 1.455) 3.515 4.617 ( -6.807 2.789 0.784) 7.397 4.717 ( -0.615 1.484 7.910) 8.072 4.768 ( 4.174 -3.808 4.912) 7.486 4.792 ( 11.268 6.597 -1.280) 13.120 4.891 ( 9.287 4.850 3.205) 10.956 5.035 ( 11.975 3.703 4.736) 13.399 5.109 ( 1.699 10.838 -1.706) 11.102 5.191 ( -2.353 -2.183 0.288) 3.223 5.272 ( -0.417 1.363 -0.504) 1.512 5.445 ( -4.521 4.016 -0.127) 6.049 5.537 ( 1.638 -2.299 -6.516) 7.102 5.591 ( -0.180 1.911 -7.409) 7.653 5.864 ( -1.968 -1.002 0.435) 2.251 5.896 ( 0.487 -0.277 3.838) 3.878 5.971 ( -4.400 -2.783 1.504) 5.419 6.223 ( 1.649 -2.699 -2.695) 4.155 6.337 ( -3.340 6.229 1.531) 7.231 6.378 ( -4.838 2.593 10.344) 11.710 6.502 ( -0.907 0.845 -4.144) 4.326 6.628 ( 0.990 3.056 -2.949) 4.361 6.818 ( 4.066 9.071 2.763) 10.318 6.856 ( 6.122 -7.209 2.748) 9.849 6.945 ( -1.596 2.671 -5.399) 6.231 7.115 ( -4.711 -1.069 -3.136) 5.760 7.196 ( -5.444 2.239 -7.318) 9.392 7.458 ( -2.054 -3.417 -5.912) 7.130 7.523 ( -2.452 -0.407 -1.245) 2.779 7.572 ( -3.709 -0.008 -0.477) 3.739 7.637 ( -2.215 2.064 0.197) 3.034 7.721 ( -2.112 -3.169 -2.049) 4.325 7.932 ( 0.721 -4.564 1.484) 4.854 7.964 ( 1.095 -0.989 2.783) 3.150 8.078 ( 5.896 -3.441 6.012) 9.097 8.223 ( -0.146 -2.778 2.420) 3.687 8.372 ( 0.652 -2.099 -0.141) 2.203 8.559 ( -4.271 4.754 0.841) 6.446 8.672 ( -0.366 7.165 -0.709) 7.210 9.253 ( -7.013 -9.041 -1.623) 11.557 9.392 ( -0.788 -7.600 -0.759) 7.679 9.680 ( -9.505 4.920 -4.186) 11.492 10.053 ( -10.857 0.567 4.030) 11.594 10.241 ( -8.823 -2.179 -2.802) 9.510 10.564 ( -10.412 -3.230 10.125) 14.879 17.568 ( 0.402 0.713 -0.163) 0.835 17.628 ( 1.242 0.360 -0.001) 1.293 17.679 ( -0.587 -0.666 -0.400) 0.974 17.699 ( -0.322 0.089 0.101) 0.349 17.981 ( -0.267 -0.022 1.037) 1.071 17.999 ( -0.217 -0.369 0.270) 0.506 18.010 ( 0.180 0.273 -0.305) 0.447 18.027 ( 0.389 0.116 -0.369) 0.549 30.290 ( 0.064 -0.105 -0.105) 0.162 30.351 ( 0.016 -1.139 0.768) 1.374 30.429 ( 0.678 2.274 -0.975) 2.565 30.476 ( 1.335 2.404 -0.368) 2.774 49.082 ( 3.710 1.067 3.754) 5.385 49.346 ( 8.038 -3.300 3.570) 9.394 49.620 ( 11.632 5.448 -3.003) 13.191 50.022 ( 11.358 -0.433 -10.821) 15.694 ======================= Grid point 201 (105/128) ======================= q-point: ( 0.33 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 14.800 -4.290 -14.277) 21.007 2.694 ( 20.285 9.486 -4.818) 22.906 2.992 ( 0.888 -7.832 5.518) 9.622 3.074 ( 2.922 -9.500 0.600) 9.958 3.166 ( 4.927 1.125 10.737) 11.867 3.305 ( 2.358 -4.687 3.598) 6.362 3.505 ( -1.296 -1.573 7.371) 7.647 3.713 ( -6.296 2.437 6.466) 9.348 3.834 ( -2.067 0.659 1.371) 2.566 4.081 ( -2.261 -7.638 1.135) 8.046 4.136 ( 2.889 -3.147 -4.910) 6.508 4.321 ( 4.710 4.838 3.100) 7.430 4.404 ( -4.273 -0.439 10.392) 11.245 4.572 ( 2.977 3.165 3.827) 5.790 4.747 ( 3.886 -3.143 -0.756) 5.054 4.868 ( 3.961 -3.475 -0.942) 5.353 4.944 ( 7.487 5.969 -5.079) 10.839 5.067 ( -0.661 -5.342 0.835) 5.447 5.126 ( 3.323 6.906 -3.461) 8.409 5.174 ( 7.731 -0.097 -8.688) 11.630 5.333 ( 6.526 3.254 -2.744) 7.791 5.367 ( 6.756 1.795 -0.446) 7.004 5.469 ( 7.367 11.149 14.234) 19.523 5.529 ( 0.947 2.865 -7.084) 7.700 5.592 ( 5.000 -3.070 -2.102) 6.232 5.814 ( -2.398 1.049 -1.780) 3.166 5.874 ( 1.440 -1.486 4.762) 5.192 5.985 ( -3.987 2.268 6.396) 7.870 6.091 ( -6.982 1.779 0.055) 7.205 6.244 ( -15.950 -3.865 1.548) 16.485 6.301 ( -2.450 9.682 0.800) 10.019 6.523 ( 2.465 -1.385 0.940) 2.980 6.604 ( 0.429 2.946 -5.793) 6.513 6.775 ( -9.101 5.666 -6.823) 12.707 6.852 ( 0.549 8.973 -4.239) 9.939 6.974 ( -2.035 6.698 -1.503) 7.160 7.009 ( 5.337 -7.624 -0.062) 9.306 7.110 ( -1.624 -0.903 -0.142) 1.863 7.343 ( -3.883 -7.413 -3.902) 9.233 7.428 ( -7.248 0.577 4.412) 8.504 7.515 ( -1.041 -0.862 -4.025) 4.246 7.542 ( -6.999 -2.739 -2.885) 8.050 7.709 ( 2.825 -2.031 -5.519) 6.524 7.838 ( -3.850 -3.736 -3.200) 6.247 8.047 ( -0.389 -4.824 7.356) 8.805 8.293 ( 5.170 -2.184 6.683) 8.727 8.347 ( -1.242 -3.435 -2.101) 4.214 8.372 ( 12.454 1.381 10.736) 16.501 8.505 ( -1.079 2.922 0.042) 3.115 8.640 ( -2.189 7.266 -1.450) 7.725 9.050 ( -10.992 -7.077 -2.636) 13.336 9.365 ( -0.960 -7.908 -2.722) 8.418 9.552 ( -2.954 3.570 -0.416) 4.653 9.820 ( -13.083 2.562 -0.258) 13.334 10.095 ( -4.169 -2.335 -1.004) 4.883 10.405 ( -11.381 -4.969 5.953) 13.771 17.581 ( 0.887 0.525 0.175) 1.045 17.651 ( 1.155 0.329 -0.142) 1.209 17.662 ( -0.813 -0.665 -0.462) 1.148 17.692 ( -0.517 0.202 0.156) 0.577 17.983 ( -0.303 -0.082 0.803) 0.862 17.998 ( -0.078 -0.317 0.028) 0.328 18.012 ( 0.186 0.324 0.066) 0.380 18.030 ( 0.173 0.139 -0.373) 0.434 30.305 ( 1.416 0.629 0.128) 1.554 30.354 ( -0.086 -0.810 0.522) 0.967 30.432 ( 0.091 2.317 -0.285) 2.337 30.491 ( 0.513 2.956 -0.632) 3.066 49.228 ( 6.823 0.795 6.456) 9.427 49.554 ( 6.500 -5.343 8.975) 12.302 49.803 ( 9.035 3.750 -4.380) 10.718 50.097 ( 6.284 0.077 -12.731) 14.197 ======================= Grid point 202 (106/128) ======================= q-point: ( 0.44 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 14.720 -8.885 -3.489) 17.544 2.781 ( -10.616 -10.067 -1.542) 14.711 3.069 ( -3.425 0.117 3.813) 5.127 3.089 ( 6.958 3.237 -2.964) 8.226 3.285 ( 0.366 -2.633 9.865) 10.217 3.437 ( 7.034 0.101 1.340) 7.161 3.590 ( 1.971 -1.402 9.594) 9.894 3.689 ( -4.269 -1.367 3.151) 5.479 3.777 ( 1.962 2.339 -2.172) 3.747 3.930 ( -4.983 -1.618 -2.694) 5.891 4.247 ( 6.166 0.145 6.217) 8.757 4.378 ( -4.130 -0.475 11.530) 12.257 4.573 ( 6.592 -4.120 2.396) 8.134 4.613 ( -0.489 -0.505 12.663) 12.683 4.845 ( 3.313 -4.457 -0.699) 5.597 4.914 ( -3.422 -1.114 -9.628) 10.278 4.974 ( 9.435 1.760 -0.935) 9.643 5.091 ( -0.643 2.321 -1.398) 2.785 5.140 ( 0.797 1.834 2.702) 3.362 5.173 ( 0.784 1.175 -11.305) 11.393 5.391 ( 7.518 0.848 -13.097) 15.125 5.483 ( -4.138 7.524 0.222) 8.589 5.537 ( -2.824 6.478 1.806) 7.294 5.554 ( -4.356 2.516 8.924) 10.244 5.668 ( 10.087 -4.416 -7.410) 13.272 5.782 ( -19.775 2.938 -1.184) 20.027 5.797 ( -2.084 3.327 -1.646) 4.257 5.841 ( 2.642 6.225 -5.581) 8.768 6.094 ( 2.909 -1.723 10.319) 10.859 6.190 ( 9.477 2.253 6.396) 11.653 6.260 ( -0.804 4.498 2.853) 5.387 6.529 ( -0.544 -2.685 -8.159) 8.607 6.600 ( 2.327 1.555 -1.682) 3.265 6.625 ( -3.742 3.140 1.270) 5.047 6.838 ( 0.360 8.672 -1.700) 8.845 6.926 ( -1.057 8.579 -4.851) 9.912 7.058 ( -2.538 -2.353 2.219) 4.112 7.102 ( 2.652 -2.576 -2.699) 4.578 7.241 ( -3.965 -5.382 -0.092) 6.685 7.334 ( -7.394 -1.637 5.595) 9.416 7.354 ( -4.974 -0.756 -2.257) 5.514 7.521 ( 4.577 -4.390 -9.211) 11.183 7.707 ( -0.360 -2.638 -0.755) 2.767 7.789 ( 0.883 -2.338 -2.434) 3.489 8.085 ( 0.030 -3.795 5.800) 6.932 8.246 ( -4.819 -2.101 -2.838) 5.974 8.462 ( 4.087 1.809 6.864) 8.191 8.521 ( 3.911 -0.917 1.249) 4.207 8.578 ( -1.507 6.538 -2.683) 7.226 8.752 ( 14.770 -3.304 11.591) 19.064 8.818 ( -9.850 -4.856 -3.604) 11.558 9.264 ( -7.473 -6.526 -6.260) 11.732 9.524 ( -0.337 3.151 0.782) 3.264 9.602 ( -6.641 5.202 -1.410) 8.553 10.088 ( 3.669 -4.956 0.850) 6.225 10.228 ( -9.712 -5.980 2.623) 11.703 17.603 ( 1.010 0.259 0.477) 1.147 17.640 ( -1.013 -0.228 -0.657) 1.229 17.671 ( 0.879 0.066 -0.068) 0.884 17.682 ( -0.578 0.200 0.122) 0.623 17.983 ( -0.289 0.016 0.743) 0.798 17.996 ( 0.044 -0.164 -0.331) 0.372 18.017 ( 0.083 0.191 0.394) 0.446 18.029 ( 0.068 0.081 -0.373) 0.388 30.336 ( 1.027 -0.139 0.564) 1.180 30.357 ( -0.031 -0.943 0.204) 0.965 30.434 ( 0.461 3.572 0.513) 3.638 30.485 ( -0.334 3.622 -1.399) 3.897 49.425 ( 6.901 0.032 8.397) 10.869 49.668 ( -1.300 -5.735 4.365) 7.324 49.882 ( 0.863 3.910 0.110) 4.006 50.110 ( 5.955 -1.017 -14.094) 15.334 ======================= Grid point 203 (107/128) ======================= q-point: (-0.44 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -22.212 -9.761 2.138) 24.356 2.704 ( 1.672 -10.316 6.875) 12.510 2.976 ( -8.291 0.519 7.306) 11.063 3.134 ( 1.504 -0.591 -2.838) 3.266 3.358 ( -1.761 -0.992 7.435) 7.705 3.464 ( -1.920 -3.997 -7.445) 8.666 3.675 ( 1.206 0.124 3.899) 4.083 3.690 ( -1.474 3.240 4.261) 5.553 3.794 ( 6.308 -3.980 2.256) 7.792 3.924 ( 5.739 2.923 -11.228) 12.944 4.367 ( -4.349 0.056 0.564) 4.386 4.416 ( -5.991 -2.039 -1.894) 6.606 4.546 ( 5.815 -3.129 12.904) 14.495 4.695 ( -10.042 -2.315 0.154) 10.307 4.820 ( 2.259 0.842 7.939) 8.297 4.921 ( -2.804 4.819 1.443) 5.760 4.968 ( -5.575 1.785 -1.463) 6.034 4.994 ( -5.956 -0.948 -9.794) 11.502 5.075 ( -2.373 2.931 -1.728) 4.149 5.185 ( -9.239 4.370 -0.103) 10.220 5.198 ( 0.109 -3.660 6.258) 7.250 5.418 ( -7.798 -1.653 9.178) 12.156 5.533 ( 10.814 3.949 -2.018) 11.688 5.626 ( -2.898 5.572 -1.994) 6.590 5.678 ( -0.126 2.930 1.990) 3.544 5.714 ( 5.339 7.467 -0.973) 9.230 5.841 ( 14.094 2.765 -9.835) 17.407 5.944 ( 6.568 0.196 -8.750) 10.942 6.139 ( -2.699 1.817 8.923) 9.498 6.271 ( 0.593 0.252 -1.096) 1.271 6.321 ( -1.588 -3.125 -3.427) 4.903 6.482 ( 3.341 4.356 -6.391) 8.425 6.577 ( -1.163 -0.048 0.237) 1.188 6.652 ( 2.301 1.979 -1.792) 3.524 6.806 ( -2.366 6.532 1.374) 7.082 6.893 ( 0.013 5.746 -2.074) 6.109 7.037 ( -0.119 -0.869 3.555) 3.661 7.101 ( -0.529 -1.067 -1.539) 1.947 7.255 ( -2.556 -3.761 4.040) 6.083 7.275 ( 5.463 -3.792 0.229) 6.654 7.334 ( 2.614 0.429 2.871) 3.906 7.529 ( 4.162 -2.984 -10.534) 11.713 7.689 ( -3.484 -3.523 4.056) 6.404 7.799 ( 2.153 0.053 -3.758) 4.331 8.152 ( 1.497 -3.598 3.205) 5.045 8.176 ( 1.485 -2.080 0.374) 2.583 8.486 ( -2.304 4.687 3.600) 6.343 8.551 ( -1.267 4.078 -1.280) 4.458 8.613 ( -5.091 -2.357 -6.139) 8.317 8.717 ( 9.510 -6.305 4.918) 12.425 8.986 ( -12.035 0.100 -9.716) 15.468 9.107 ( 11.026 -7.473 9.224) 16.202 9.533 ( -0.130 3.499 0.239) 3.510 9.575 ( 4.856 4.601 0.856) 6.744 10.086 ( -5.545 -5.258 1.406) 7.769 10.235 ( 9.685 -6.414 1.420) 11.703 17.614 ( -1.131 0.104 -0.612) 1.290 17.626 ( 0.814 0.038 0.729) 1.093 17.669 ( -0.682 0.137 0.066) 0.699 17.686 ( 0.702 0.008 -0.251) 0.745 17.984 ( -0.191 0.090 0.786) 0.814 17.995 ( 0.207 -0.104 -0.449) 0.506 18.020 ( -0.162 0.140 0.441) 0.490 18.027 ( -0.004 0.003 -0.406) 0.406 30.339 ( -1.197 -0.249 0.503) 1.322 30.355 ( -0.082 -0.871 0.135) 0.886 30.461 ( -0.030 3.733 -1.203) 3.922 30.463 ( 0.912 3.739 -0.070) 3.850 49.567 ( -6.587 -2.318 -4.012) 8.053 49.606 ( 3.661 -1.597 7.080) 8.129 49.852 ( -6.986 2.346 7.484) 10.504 50.094 ( 2.917 -1.689 -15.059) 15.431 ======================= Grid point 204 (108/128) ======================= q-point: (-0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -24.331 -6.421 10.260) 27.176 2.544 ( -23.248 7.323 11.675) 27.026 2.960 ( 0.587 -14.755 4.583) 15.461 3.132 ( -0.310 -4.471 -2.842) 5.307 3.334 ( -2.991 0.113 -1.380) 3.296 3.348 ( -3.754 -5.691 -4.549) 8.196 3.599 ( -2.816 -3.929 0.717) 4.887 3.807 ( -13.995 5.512 7.617) 16.860 3.844 ( 7.144 5.572 -6.016) 10.875 3.995 ( 6.204 0.596 -0.699) 6.271 4.065 ( -6.918 -3.877 -0.012) 7.931 4.339 ( -8.363 2.214 -0.276) 8.656 4.624 ( -5.800 -0.685 0.592) 5.870 4.659 ( -6.546 -0.390 -11.223) 12.998 4.687 ( -4.999 -2.324 9.729) 11.183 4.828 ( 0.570 7.252 6.760) 9.930 4.875 ( 0.337 -0.793 -3.796) 3.893 4.968 ( -6.510 2.798 2.972) 7.684 5.015 ( 2.523 -1.802 3.444) 4.634 5.183 ( 2.644 4.043 4.213) 6.410 5.249 ( -2.744 -5.177 3.392) 6.771 5.350 ( -3.609 -3.517 1.308) 5.207 5.445 ( -9.418 7.169 -1.539) 11.936 5.610 ( 0.035 3.929 -4.735) 6.153 5.739 ( 5.018 4.089 -5.685) 8.615 5.822 ( 4.621 -4.564 -1.585) 6.685 5.948 ( -0.370 0.482 -2.493) 2.566 6.077 ( 4.280 0.275 -5.601) 7.055 6.107 ( -1.971 5.686 1.676) 6.247 6.282 ( 13.790 -3.347 -5.383) 15.177 6.326 ( 0.663 1.158 1.225) 1.812 6.478 ( -0.234 7.079 -3.996) 8.132 6.592 ( 3.520 3.434 -1.749) 5.220 6.696 ( 3.804 4.748 2.934) 6.755 6.780 ( -1.121 6.007 0.495) 6.131 6.902 ( -0.911 -1.525 4.507) 4.844 7.051 ( -0.103 1.731 -0.880) 1.945 7.103 ( 0.529 -1.309 2.290) 2.690 7.250 ( -0.477 -1.966 4.138) 4.606 7.384 ( 4.585 -2.847 2.213) 5.833 7.494 ( 6.717 -0.527 2.004) 7.030 7.555 ( 5.683 -1.251 -5.802) 8.217 7.633 ( -3.005 -3.537 1.512) 4.881 7.851 ( 6.497 0.350 -2.051) 6.822 8.179 ( 2.464 -5.949 -5.201) 8.277 8.267 ( 1.819 -3.478 4.369) 5.873 8.411 ( -5.160 -1.909 -3.081) 6.306 8.463 ( -2.588 0.946 2.175) 3.510 8.604 ( -3.427 5.475 -1.107) 6.553 8.636 ( -5.988 3.774 -10.503) 12.666 8.982 ( 10.589 -4.101 4.164) 12.095 9.292 ( 2.897 -10.162 4.853) 11.628 9.549 ( 1.633 2.526 0.020) 3.008 9.781 ( 12.800 2.137 3.461) 13.431 10.064 ( 2.676 -0.852 2.628) 3.846 10.460 ( 12.197 -6.251 -0.008) 13.705 17.587 ( -1.074 0.428 -0.470) 1.248 17.640 ( -0.385 0.472 0.844) 1.041 17.660 ( 0.153 -0.520 -0.122) 0.555 17.696 ( 0.500 0.007 -0.234) 0.552 17.987 ( -0.062 0.005 0.679) 0.682 17.998 ( 0.318 -0.122 -0.341) 0.482 18.017 ( -0.318 0.037 0.035) 0.322 18.023 ( -0.124 0.137 -0.071) 0.198 30.311 ( -1.319 0.826 -0.474) 1.627 30.357 ( 0.241 -0.438 0.253) 0.560 30.438 ( -0.852 2.294 -0.890) 2.604 30.482 ( 0.101 2.914 0.191) 2.922 49.361 ( -8.562 -0.161 -6.578) 10.799 49.682 ( -1.963 -5.627 1.772) 6.217 49.722 ( -10.745 2.191 5.215) 12.143 49.984 ( -4.089 2.173 -8.710) 9.865 ======================= Grid point 205 (109/128) ======================= q-point: (-0.22 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -15.813 -0.302 22.087) 27.166 2.112 ( -26.550 14.377 10.857) 32.086 2.978 ( -2.710 -13.669 0.744) 13.955 3.074 ( -2.352 -3.252 -7.624) 8.616 3.168 ( -5.064 -1.631 -7.122) 8.890 3.329 ( 0.275 -12.233 -1.275) 12.302 3.511 ( -19.946 9.359 31.250) 38.236 3.632 ( 2.698 -5.231 -2.938) 6.579 3.784 ( -14.508 -4.812 -6.499) 16.609 3.958 ( 3.572 8.586 -8.135) 12.355 4.067 ( -6.734 8.654 2.328) 11.210 4.291 ( 8.355 -5.882 2.773) 10.588 4.434 ( -8.409 -4.607 -2.369) 9.877 4.563 ( -1.671 5.941 1.521) 6.356 4.707 ( -4.973 -1.046 4.754) 6.959 4.745 ( -6.269 -0.041 3.964) 7.417 4.892 ( 0.176 -2.499 -2.676) 3.665 4.937 ( -1.053 2.262 2.849) 3.788 5.101 ( -2.136 0.879 3.131) 3.890 5.153 ( 2.841 -1.403 -7.549) 8.187 5.216 ( 3.280 -1.184 -5.168) 6.234 5.334 ( -4.483 1.235 4.251) 6.300 5.359 ( 2.462 3.878 3.993) 6.086 5.577 ( 1.190 5.081 -4.992) 7.222 5.632 ( -3.536 7.769 -19.996) 21.742 5.881 ( 2.771 -6.771 0.547) 7.336 5.925 ( 1.197 -3.147 0.578) 3.416 6.059 ( -2.826 -0.244 -5.114) 5.848 6.100 ( -2.579 0.332 5.889) 6.438 6.370 ( 2.108 3.354 3.067) 5.010 6.416 ( -1.930 8.641 -2.082) 9.096 6.517 ( 7.845 -5.442 -0.950) 9.595 6.638 ( 1.316 2.240 -5.547) 6.125 6.793 ( 1.783 1.364 6.327) 6.714 6.828 ( 3.014 5.087 1.663) 6.142 6.924 ( 1.090 -0.142 0.985) 1.476 7.078 ( 4.817 4.870 3.541) 7.711 7.107 ( 0.128 -2.282 -3.319) 4.030 7.335 ( 4.414 1.769 4.948) 6.863 7.434 ( -2.757 0.190 5.155) 5.849 7.558 ( 0.746 -1.257 1.083) 1.819 7.624 ( 3.823 0.904 0.171) 3.932 7.687 ( 5.832 -2.348 1.417) 6.444 7.980 ( 5.564 -2.993 -5.349) 8.278 8.122 ( -1.092 -3.847 -6.552) 7.676 8.205 ( -9.473 -2.119 -6.253) 11.547 8.309 ( -2.802 -2.561 -5.805) 6.936 8.392 ( 0.934 -3.029 -1.267) 3.414 8.533 ( 3.177 5.245 2.770) 6.729 8.646 ( 0.062 8.214 0.904) 8.264 9.192 ( 6.162 -8.578 4.479) 11.472 9.370 ( 3.440 -8.327 2.100) 9.251 9.609 ( 4.356 3.720 2.741) 6.350 10.023 ( 8.354 -6.298 5.474) 11.808 10.242 ( 12.213 5.171 -0.681) 13.281 10.693 ( 12.138 -4.752 -2.953) 13.365 17.567 ( -0.680 0.702 -0.108) 0.983 17.626 ( -1.130 0.722 0.242) 1.363 17.672 ( 0.601 -0.867 0.321) 1.103 17.702 ( 0.321 0.023 -0.183) 0.370 17.991 ( 0.029 -0.130 0.441) 0.460 18.002 ( 0.267 -0.194 -0.194) 0.383 18.009 ( -0.306 0.038 -0.253) 0.399 18.020 ( -0.246 0.212 0.163) 0.364 30.293 ( 0.050 0.790 -0.488) 0.930 30.366 ( 0.529 -0.647 -0.652) 1.059 30.412 ( -1.482 1.369 0.635) 2.116 30.470 ( -1.255 1.944 0.174) 2.320 49.169 ( -5.726 0.679 -4.934) 7.589 49.465 ( -12.929 -4.728 -5.432) 14.799 49.575 ( -9.164 4.990 -1.115) 10.494 49.856 ( -7.670 3.375 4.625) 9.571 ======================= Grid point 206 (110/128) ======================= q-point: (-0.11 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -2.092 10.747 26.466) 28.642 1.804 ( -13.243 11.230 22.577) 28.481 2.759 ( -10.455 -4.493 -21.220) 24.078 2.889 ( -6.475 -0.462 -13.179) 14.691 3.157 ( -0.821 -5.886 7.058) 9.227 3.310 ( -0.114 -11.157 -2.142) 11.361 3.452 ( -7.961 4.295 17.006) 19.262 3.507 ( -7.719 4.159 18.346) 20.333 3.735 ( 4.363 -6.795 2.539) 8.465 3.923 ( -2.745 1.931 -6.331) 7.165 3.936 ( -8.545 -2.995 0.256) 9.059 4.270 ( -1.177 3.953 -0.262) 4.133 4.436 ( -1.469 -3.225 1.591) 3.884 4.533 ( -2.008 1.199 1.903) 3.015 4.618 ( -3.474 -0.205 1.428) 3.761 4.686 ( -4.901 0.933 3.169) 5.910 4.873 ( -1.057 -0.065 -12.177) 12.223 4.950 ( 4.924 -2.266 3.777) 6.607 5.016 ( -0.245 4.644 -12.005) 12.874 5.212 ( 1.623 2.790 -5.897) 6.723 5.268 ( 4.205 -5.490 -1.107) 7.004 5.314 ( 3.067 3.922 1.873) 5.320 5.471 ( 3.119 2.708 3.350) 5.319 5.486 ( 1.069 2.769 -2.003) 3.581 5.588 ( 2.175 4.103 -2.013) 5.061 5.887 ( -4.798 -4.608 -3.097) 7.337 5.932 ( 1.884 -1.731 -4.906) 5.533 6.000 ( -1.560 -3.552 9.199) 9.983 6.074 ( -2.355 -0.459 2.450) 3.429 6.345 ( -3.224 3.827 3.951) 6.376 6.447 ( -2.068 -0.090 2.471) 3.223 6.572 ( 3.279 -2.526 -8.964) 9.874 6.590 ( 0.342 -2.769 -1.599) 3.216 6.802 ( -0.766 11.694 -8.636) 14.558 6.881 ( 1.284 2.493 -2.422) 3.705 6.964 ( 0.661 1.454 2.239) 2.750 7.099 ( 1.351 3.261 4.094) 5.405 7.184 ( -0.841 3.409 3.433) 4.911 7.405 ( 0.290 4.738 3.071) 5.653 7.470 ( 3.306 -1.852 7.659) 8.545 7.593 ( 1.496 -1.612 1.159) 2.486 7.719 ( 4.111 -1.124 3.089) 5.263 7.789 ( 2.900 -1.854 -1.252) 3.663 7.910 ( -4.672 -2.306 -3.897) 6.506 7.951 ( -4.988 0.270 -9.638) 10.855 8.148 ( 2.525 -5.103 -5.326) 7.796 8.271 ( 0.416 -2.653 -2.265) 3.513 8.380 ( -0.182 -3.814 -3.260) 5.020 8.618 ( 1.488 7.202 2.410) 7.739 8.662 ( 1.662 6.547 2.291) 7.133 9.295 ( 2.115 -9.328 4.120) 10.414 9.427 ( 1.401 -6.989 -1.420) 7.268 9.789 ( 8.470 3.304 9.159) 12.905 10.229 ( 7.283 -6.042 6.582) 11.528 10.405 ( 5.795 3.257 -4.810) 8.206 10.841 ( 5.540 -3.891 -8.312) 10.721 17.563 ( 0.248 0.767 0.287) 0.856 17.604 ( -1.109 0.714 -0.022) 1.319 17.685 ( 0.480 -0.728 0.388) 0.954 17.705 ( 0.074 -0.073 -0.195) 0.221 17.994 ( 0.039 -0.180 0.222) 0.289 18.001 ( -0.551 -0.242 0.299) 0.672 18.005 ( 0.219 0.166 -0.350) 0.445 18.016 ( -0.140 0.122 -0.129) 0.226 30.303 ( 1.016 -0.500 -0.336) 1.181 30.349 ( -1.460 -1.022 -0.661) 1.901 30.408 ( 0.221 1.244 0.901) 1.552 30.446 ( -1.179 1.422 0.261) 1.866 49.085 ( 0.437 0.793 -2.941) 3.077 49.224 ( -6.986 -1.447 -1.747) 7.346 49.406 ( -5.695 8.975 1.398) 10.721 49.710 ( -10.614 2.223 3.214) 11.310 ======================= Grid point 207 (111/128) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -3.419 11.477 19.587) 22.957 2.376 ( 10.574 14.125 11.444) 21.030 2.455 ( -0.162 1.046 -9.214) 9.274 2.704 ( -6.388 3.990 -10.353) 12.803 2.993 ( -3.111 -8.515 3.641) 9.769 3.076 ( 1.454 -10.146 -4.267) 11.103 3.362 ( 7.776 -9.101 0.812) 11.998 3.443 ( -9.916 -9.352 -6.286) 15.010 3.719 ( -2.687 -0.809 8.657) 9.100 3.760 ( 2.406 -2.508 0.355) 3.494 4.117 ( -0.662 13.366 21.052) 24.946 4.311 ( -4.192 0.365 0.884) 4.300 4.416 ( 2.028 -2.420 -2.663) 4.130 4.517 ( 3.248 2.161 -5.039) 6.372 4.586 ( -1.582 1.141 2.856) 3.459 4.624 ( -3.788 -2.347 8.272) 9.396 4.727 ( 2.040 0.325 -6.904) 7.207 4.933 ( 1.024 2.008 -15.138) 15.305 5.140 ( 0.191 4.916 10.767) 11.838 5.268 ( 3.051 1.962 -1.630) 3.977 5.363 ( -2.517 5.510 -0.334) 6.067 5.402 ( -2.858 3.900 -2.459) 5.424 5.509 ( 4.598 -0.879 -0.123) 4.683 5.568 ( 0.622 -5.715 0.045) 5.749 5.690 ( 2.861 2.610 2.249) 4.478 5.748 ( -2.702 2.189 -4.085) 5.365 5.850 ( -3.734 -5.406 9.991) 11.957 5.992 ( 4.500 -2.218 -3.546) 6.143 6.085 ( 0.116 -1.927 0.994) 2.171 6.165 ( -3.329 -7.547 -5.259) 9.782 6.457 ( -1.253 1.706 5.034) 5.461 6.544 ( 2.530 -2.816 -2.927) 4.785 6.584 ( -2.175 5.842 1.764) 6.478 6.728 ( -1.010 -1.854 -9.917) 10.139 7.014 ( -1.106 7.471 -0.440) 7.565 7.090 ( 5.847 5.998 -6.933) 10.873 7.304 ( 0.955 4.696 3.174) 5.748 7.318 ( 0.319 3.826 2.806) 4.755 7.534 ( -2.372 3.537 5.665) 7.087 7.569 ( 2.416 0.306 1.938) 3.113 7.600 ( 1.547 0.937 1.444) 2.314 7.694 ( -1.139 1.028 -6.326) 6.509 7.750 ( -1.759 -2.774 4.989) 5.973 7.789 ( -1.037 -1.906 0.925) 2.359 7.885 ( 2.211 -3.487 -2.637) 4.900 7.943 ( -3.290 -6.774 -7.276) 10.472 8.215 ( -0.670 -2.157 -2.448) 3.331 8.254 ( 1.657 -3.922 -5.510) 6.963 8.800 ( -1.038 5.733 3.847) 6.981 8.832 ( 0.536 5.247 0.904) 5.352 9.183 ( 0.890 -6.716 4.166) 7.953 9.252 ( -0.580 -7.724 -2.952) 8.289 10.079 ( 4.345 4.147 11.837) 13.274 10.249 ( -0.039 -1.470 -1.338) 1.988 10.479 ( 0.078 -0.318 3.458) 3.474 10.641 ( -6.894 -5.735 -9.065) 12.751 17.596 ( 0.637 0.974 0.319) 1.206 17.603 ( -0.640 0.924 -0.351) 1.178 17.683 ( 0.439 -0.633 0.441) 0.888 17.691 ( -0.272 -0.723 -0.318) 0.835 17.989 ( -0.641 0.070 0.702) 0.953 17.994 ( -0.075 -0.179 0.296) 0.354 18.011 ( 0.201 0.116 -0.246) 0.338 18.014 ( 0.277 -0.055 -0.438) 0.521 30.295 ( -0.548 -0.645 0.086) 0.851 30.302 ( 0.056 -0.938 -0.590) 1.110 30.453 ( 0.884 1.399 0.748) 1.816 30.463 ( 0.377 1.019 -0.255) 1.116 49.112 ( -2.822 0.442 -0.254) 2.868 49.123 ( 2.284 -0.173 -1.360) 2.664 49.604 ( -0.433 3.823 -0.804) 3.931 49.614 ( 3.685 3.917 -2.030) 5.748 ======================= Grid point 208 (112/128) ======================= q-point: ( 0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 4.016 3.142 13.679) 14.599 2.374 ( 3.869 2.690 -12.513) 13.371 2.516 ( 2.322 11.003 -12.252) 16.631 2.676 ( 4.181 2.700 12.086) 13.071 2.968 ( -2.229 -6.099 4.238) 7.754 3.084 ( 1.312 -9.025 0.353) 9.127 3.342 ( 5.250 -3.295 -2.650) 6.741 3.604 ( 8.292 -12.128 3.164) 15.029 3.732 ( 3.089 0.988 4.604) 5.632 3.826 ( 3.042 -2.934 0.447) 4.250 4.179 ( -7.471 5.124 8.244) 12.249 4.272 ( 0.345 -3.003 3.010) 4.266 4.340 ( -3.860 -4.647 -6.359) 8.771 4.561 ( -3.186 -8.160 7.334) 11.425 4.616 ( 8.167 4.163 -1.928) 9.368 4.684 ( 4.307 0.881 1.958) 4.813 4.845 ( 9.330 13.480 -9.189) 18.793 4.910 ( 7.278 8.271 3.304) 11.502 5.130 ( -5.165 8.006 -2.099) 9.756 5.237 ( -4.595 -1.370 1.346) 4.981 5.323 ( 0.472 6.500 4.107) 7.703 5.353 ( -0.811 5.495 -1.981) 5.897 5.535 ( -0.006 0.118 -7.026) 7.027 5.624 ( -0.977 -2.045 -3.439) 4.119 5.676 ( 1.161 3.214 -1.136) 3.601 5.785 ( 5.133 0.148 0.883) 5.210 5.864 ( 0.766 -2.847 4.546) 5.419 6.019 ( -5.420 -6.125 -3.972) 9.092 6.064 ( 3.693 -3.265 0.886) 5.008 6.170 ( 3.351 -8.868 6.965) 11.764 6.393 ( -4.880 -1.342 3.156) 5.965 6.503 ( -3.471 -2.893 -2.417) 5.125 6.634 ( 3.782 2.085 -0.500) 4.347 6.697 ( 2.825 2.738 -2.236) 4.526 7.035 ( 2.971 9.839 -1.078) 10.334 7.135 ( 0.160 5.378 -5.754) 7.877 7.274 ( -2.355 4.467 -2.377) 5.581 7.332 ( -1.499 2.964 -0.765) 3.408 7.486 ( -2.832 0.611 0.055) 2.898 7.568 ( -2.522 -0.798 -0.572) 2.707 7.610 ( -3.164 0.599 -3.563) 4.803 7.650 ( 0.553 1.671 6.931) 7.151 7.732 ( -3.706 -1.944 4.219) 5.943 7.830 ( 0.285 -3.733 -0.671) 3.804 7.871 ( 2.385 -5.027 -0.449) 5.582 7.913 ( 1.336 -4.230 0.367) 4.451 8.181 ( -1.035 -1.646 -0.633) 2.044 8.269 ( 2.703 -4.094 -3.106) 5.806 8.773 ( -4.373 6.132 2.418) 7.910 8.823 ( -1.036 5.084 -0.099) 5.190 9.175 ( -3.490 -7.069 -0.142) 7.885 9.231 ( -0.193 -7.889 -0.153) 7.893 10.045 ( -11.080 3.963 -7.467) 13.936 10.173 ( -4.352 0.550 2.838) 5.225 10.401 ( -9.838 -1.949 -1.176) 10.098 10.542 ( -3.772 -4.910 11.511) 13.071 17.590 ( -0.272 1.169 -0.278) 1.232 17.614 ( 0.834 0.438 0.307) 0.991 17.681 ( -0.370 -0.472 -0.484) 0.771 17.693 ( 0.219 -0.627 0.197) 0.693 17.983 ( -0.495 0.165 0.816) 0.969 17.994 ( -0.262 -0.326 0.409) 0.585 18.013 ( 0.299 0.211 -0.373) 0.523 18.020 ( 0.557 -0.070 -0.341) 0.657 30.286 ( -0.260 -0.195 0.445) 0.551 30.311 ( 0.693 -1.157 0.406) 1.408 30.472 ( 1.147 1.778 -1.566) 2.632 30.484 ( 2.026 1.279 -0.679) 2.490 49.071 ( -0.739 2.015 1.180) 2.449 49.167 ( 2.906 -2.362 -0.038) 3.745 49.613 ( 5.901 7.232 -2.277) 9.607 49.803 ( 12.808 -1.361 -4.572) 13.667 ======================= Grid point 209 (113/128) ======================= q-point: ( 0.22 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 3.139 3.031 -18.123) 18.641 2.565 ( 10.339 -6.434 7.137) 14.115 2.643 ( 12.843 6.187 -8.292) 16.492 2.800 ( 5.511 -1.332 11.257) 12.604 3.002 ( 2.420 -3.232 5.771) 7.043 3.141 ( 3.040 -2.849 2.060) 4.648 3.488 ( 2.593 0.420 1.768) 3.166 3.638 ( 4.756 -6.371 -1.869) 8.168 3.894 ( 2.833 -0.768 3.646) 4.681 3.909 ( -1.373 0.253 5.313) 5.494 4.119 ( -5.050 -4.458 5.108) 8.454 4.177 ( 3.560 -5.395 -1.268) 6.587 4.364 ( 1.783 -0.288 0.673) 1.928 4.544 ( -2.726 -7.819 1.860) 8.486 4.745 ( 2.566 4.522 4.238) 6.708 4.798 ( 7.381 2.670 0.654) 7.876 4.942 ( 2.272 3.626 -1.481) 4.528 4.994 ( 4.025 2.295 -0.917) 4.723 5.107 ( -1.217 4.870 -5.144) 7.187 5.217 ( 5.481 4.627 -1.000) 7.242 5.323 ( 1.927 9.060 -6.648) 11.402 5.454 ( 6.257 8.858 -1.690) 10.975 5.507 ( 3.994 4.618 5.228) 8.038 5.529 ( -2.753 4.191 -0.701) 5.063 5.675 ( -0.279 3.975 -2.415) 4.660 5.805 ( -2.818 -2.244 -0.645) 3.659 5.896 ( -2.106 0.547 1.958) 2.927 5.989 ( 4.304 2.928 2.433) 5.746 6.134 ( 1.555 -5.193 0.839) 5.486 6.279 ( -2.723 -7.125 6.667) 10.131 6.366 ( -1.857 -8.757 1.129) 9.023 6.444 ( 5.792 -6.795 -5.285) 10.375 6.713 ( 5.448 -0.357 -1.150) 5.580 6.735 ( -1.016 3.486 3.135) 4.797 7.025 ( -4.582 5.752 -3.659) 8.214 7.082 ( 0.486 10.281 -0.196) 10.295 7.146 ( -5.677 5.726 -5.788) 9.926 7.239 ( -3.335 0.938 -7.716) 8.458 7.397 ( -6.924 -1.609 -2.270) 7.463 7.518 ( -4.227 0.525 0.127) 4.261 7.566 ( 0.439 -1.528 -0.757) 1.761 7.640 ( -7.634 -4.312 1.533) 8.901 7.683 ( -1.481 1.848 1.861) 3.012 7.803 ( -1.968 -5.710 -0.018) 6.039 7.944 ( 0.353 -1.421 4.347) 4.587 8.002 ( 7.882 -3.627 5.463) 10.253 8.181 ( 1.242 -0.745 1.340) 1.973 8.297 ( 1.716 -4.537 -1.718) 5.146 8.681 ( -5.799 6.456 1.680) 8.839 8.807 ( -0.558 4.568 0.273) 4.610 9.074 ( -6.488 -6.403 -0.825) 9.153 9.213 ( -1.008 -8.652 -1.018) 8.769 9.782 ( -9.029 4.700 -5.315) 11.483 9.998 ( -9.040 -5.182 -5.162) 11.628 10.255 ( -9.690 3.490 6.043) 11.941 10.472 ( -10.944 -5.249 8.466) 14.799 17.588 ( 0.228 1.174 -0.114) 1.202 17.632 ( 0.655 -0.279 0.345) 0.791 17.670 ( -0.204 0.043 -0.645) 0.678 17.695 ( -0.077 -0.477 0.057) 0.486 17.982 ( -0.301 0.081 0.778) 0.838 17.991 ( -0.264 -0.360 0.385) 0.589 18.017 ( 0.325 0.365 -0.295) 0.571 18.028 ( 0.408 -0.079 -0.305) 0.515 30.295 ( 0.639 0.554 0.950) 1.272 30.330 ( 0.474 -0.897 1.145) 1.530 30.482 ( 1.228 2.441 -1.952) 3.358 30.517 ( 2.030 1.177 -1.347) 2.706 49.119 ( 3.721 2.465 3.602) 5.735 49.266 ( 5.985 -4.035 3.632) 8.081 49.756 ( 9.690 6.952 -3.710) 12.490 49.988 ( 10.043 -3.016 -7.315) 12.786 ======================= Grid point 210 (114/128) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 10.123 0.685 -14.733) 17.889 2.628 ( -0.471 -17.061 -5.874) 18.050 2.926 ( 14.429 6.217 3.441) 16.084 3.061 ( 8.017 6.077 0.775) 10.090 3.129 ( 6.658 -4.976 7.561) 11.237 3.257 ( 5.640 0.568 5.962) 8.226 3.480 ( 0.742 -0.131 2.089) 2.220 3.696 ( -2.533 -4.629 1.933) 5.620 3.873 ( -5.098 0.163 4.870) 7.052 3.898 ( -2.015 -6.621 -1.240) 7.031 4.091 ( 3.314 1.270 4.357) 5.620 4.347 ( 0.400 -5.256 9.361) 10.743 4.402 ( 1.758 3.138 5.444) 6.525 4.556 ( 7.234 -4.669 -1.313) 8.710 4.721 ( -9.140 2.508 3.972) 10.277 4.904 ( -5.297 -7.180 7.300) 11.528 4.956 ( 7.755 6.437 -0.826) 10.112 5.061 ( 4.220 2.784 -4.161) 6.548 5.198 ( 9.978 2.556 -4.058) 11.071 5.275 ( 4.607 1.043 -10.853) 11.836 5.353 ( 5.677 6.695 -3.061) 9.296 5.449 ( 6.050 6.834 -8.886) 12.739 5.559 ( 4.007 1.409 0.625) 4.293 5.610 ( -0.915 0.494 -0.125) 1.047 5.685 ( -2.321 6.273 4.592) 8.113 5.825 ( 5.733 -0.080 1.907) 6.042 5.920 ( -0.853 5.111 4.409) 6.803 6.049 ( -9.898 -0.496 -1.850) 10.082 6.097 ( 4.276 4.834 6.365) 9.065 6.159 ( -5.594 -4.170 0.800) 7.024 6.405 ( 0.884 -2.309 -0.772) 2.590 6.535 ( 3.816 0.450 -3.124) 4.952 6.696 ( -2.654 4.578 -1.780) 5.583 6.804 ( 3.668 -5.638 -1.596) 6.913 6.914 ( -5.824 6.125 -3.999) 9.350 6.995 ( -0.879 -2.453 -0.713) 2.702 7.076 ( -2.164 8.845 -4.740) 10.266 7.175 ( 0.491 -0.001 0.718) 0.870 7.207 ( -7.641 1.371 -3.749) 8.621 7.437 ( -7.057 -4.461 -2.577) 8.738 7.458 ( -6.993 -0.268 1.917) 7.256 7.522 ( -4.289 1.335 -0.310) 4.502 7.663 ( 0.619 -2.586 -5.618) 6.216 7.757 ( -2.366 -3.330 0.534) 4.120 7.983 ( -0.298 -0.697 6.075) 6.122 8.200 ( 4.262 -6.803 8.826) 11.931 8.253 ( 2.266 -3.152 -2.648) 4.699 8.327 ( 6.035 -5.394 2.371) 8.435 8.619 ( -1.499 6.778 3.300) 7.687 8.796 ( -1.421 5.978 0.733) 6.189 8.914 ( -8.660 -3.996 0.001) 9.538 9.183 ( -0.657 -8.906 -3.129) 9.463 9.635 ( -3.370 4.161 -2.048) 5.733 9.817 ( -5.915 -3.123 -3.269) 7.445 10.082 ( -10.229 1.857 2.273) 10.641 10.280 ( -12.605 -6.326 4.189) 14.712 17.597 ( 0.560 0.908 0.123) 1.074 17.640 ( -0.094 -1.007 0.128) 1.020 17.667 ( 0.399 0.715 -0.493) 0.956 17.692 ( -0.292 -0.249 -0.008) 0.384 17.982 ( -0.213 0.034 0.666) 0.700 17.991 ( -0.108 -0.329 0.351) 0.493 18.020 ( 0.221 0.401 -0.183) 0.493 18.031 ( 0.172 -0.034 -0.327) 0.371 30.320 ( 0.979 0.784 1.084) 1.657 30.343 ( -0.024 -0.313 1.103) 1.146 30.493 ( 1.204 3.018 -1.136) 3.442 30.541 ( 1.382 1.423 -1.144) 2.290 49.259 ( 6.270 2.282 6.271) 9.156 49.433 ( 5.728 -5.662 7.235) 10.826 49.897 ( 7.734 4.953 -5.621) 10.768 50.075 ( 5.386 -2.368 -9.092) 10.830 ======================= Grid point 211 (115/128) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 9.076 -5.204 -5.788) 11.956 2.511 ( -7.822 -12.791 -4.562) 15.672 3.088 ( -0.317 1.914 4.005) 4.450 3.181 ( 1.046 4.374 -2.851) 5.325 3.224 ( 2.626 -3.339 6.835) 8.048 3.387 ( 2.118 -4.539 2.283) 5.504 3.578 ( 1.064 0.624 5.117) 5.263 3.720 ( -2.563 1.874 1.533) 3.526 3.743 ( 2.982 -1.297 4.461) 5.520 3.985 ( 5.069 4.908 1.068) 7.136 4.178 ( 3.889 -5.788 7.002) 9.881 4.356 ( -1.650 -1.919 3.285) 4.147 4.486 ( 1.233 -2.572 -4.403) 5.246 4.613 ( -4.642 -1.134 7.617) 8.992 4.720 ( 1.677 -4.906 1.720) 5.462 4.813 ( 2.330 -5.024 5.869) 8.069 5.076 ( 2.578 4.107 -1.459) 5.064 5.162 ( 2.210 3.897 -0.993) 4.589 5.193 ( -2.111 2.557 -5.038) 6.031 5.284 ( 2.102 5.501 -3.459) 6.830 5.424 ( 5.154 2.945 -5.860) 8.341 5.558 ( -3.923 1.327 5.967) 7.264 5.586 ( -7.011 1.301 1.099) 7.215 5.642 ( 14.401 3.212 -8.913) 17.238 5.726 ( 1.249 5.233 2.873) 6.099 5.819 ( -5.898 2.518 -0.926) 6.479 5.862 ( 3.321 5.313 -2.557) 6.767 6.002 ( -6.868 3.801 -3.234) 8.490 6.049 ( 4.426 -1.810 10.226) 11.289 6.219 ( -0.088 -4.005 4.890) 6.321 6.332 ( -4.804 5.101 -2.255) 7.360 6.523 ( 0.336 3.024 -9.955) 10.409 6.659 ( 2.541 4.778 -3.383) 6.382 6.725 ( -4.569 4.160 -0.542) 6.203 6.932 ( -1.039 -5.803 2.707) 6.487 6.986 ( 2.108 -2.748 -2.918) 4.528 7.032 ( 0.001 1.671 1.845) 2.490 7.097 ( -2.230 1.745 0.175) 2.837 7.178 ( -0.033 1.910 -4.616) 4.995 7.264 ( -3.915 -3.040 -5.322) 7.273 7.375 ( -5.275 2.837 4.074) 7.244 7.467 ( 0.831 0.187 -2.598) 2.734 7.636 ( -0.434 -3.507 -0.721) 3.606 7.731 ( 1.001 -3.534 -3.387) 4.996 8.033 ( 0.910 0.292 5.969) 6.045 8.193 ( -2.558 -1.834 -3.333) 4.584 8.342 ( 4.351 -8.972 6.198) 11.740 8.498 ( 4.798 -12.421 -0.678) 13.333 8.649 ( -0.596 6.137 4.356) 7.549 8.751 ( -2.291 9.018 -1.757) 9.469 8.822 ( -0.311 0.532 7.807) 7.831 9.119 ( -2.862 -7.363 -5.793) 9.796 9.605 ( 1.033 4.254 -0.183) 4.381 9.694 ( -5.451 3.052 -1.354) 6.392 9.970 ( -0.460 -4.978 0.601) 5.035 10.076 ( -9.698 -7.514 1.529) 12.364 17.610 ( 0.645 0.454 0.313) 0.849 17.632 ( -0.567 -0.472 -0.252) 0.779 17.675 ( 0.561 0.307 -0.142) 0.655 17.684 ( -0.408 -0.008 -0.048) 0.411 17.984 ( -0.126 0.101 0.634) 0.654 17.992 ( 0.012 -0.236 0.133) 0.271 18.022 ( 0.074 0.285 0.004) 0.294 18.030 ( -0.010 -0.020 -0.336) 0.337 30.340 ( 0.181 0.368 0.889) 0.979 30.348 ( -0.273 -0.069 0.873) 0.917 30.514 ( 1.399 3.486 -0.193) 3.761 30.550 ( 0.478 2.159 -1.469) 2.655 49.434 ( 5.446 0.996 7.640) 9.435 49.554 ( 0.555 -4.797 6.126) 7.801 49.956 ( 1.931 3.227 -4.200) 5.637 50.076 ( 3.014 -2.183 -10.756) 11.382 ======================= Grid point 212 (116/128) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -17.057 -6.071 2.050) 18.221 2.429 ( 1.555 -13.128 3.477) 13.670 3.057 ( -8.221 5.657 9.193) 13.569 3.125 ( -2.986 1.041 0.608) 3.221 3.275 ( -5.748 -6.109 3.414) 9.056 3.379 ( 1.590 -4.345 -0.984) 4.730 3.592 ( -4.151 -2.833 6.658) 8.342 3.693 ( -0.133 -5.076 -0.701) 5.126 3.886 ( 6.708 9.673 1.484) 11.864 4.012 ( 1.539 6.273 -9.847) 11.776 4.293 ( -3.634 -7.532 2.539) 8.740 4.383 ( -7.602 -1.681 -5.687) 9.641 4.479 ( 10.909 -2.905 9.537) 14.778 4.542 ( 8.753 -7.234 -8.671) 14.287 4.858 ( 0.904 2.271 13.453) 13.674 4.946 ( -5.887 -1.000 -9.278) 11.034 4.974 ( -6.520 -0.258 -4.701) 8.042 5.014 ( 1.506 -1.539 4.880) 5.334 5.220 ( -4.051 7.911 1.742) 9.057 5.265 ( -0.296 6.401 -0.143) 6.409 5.335 ( -14.668 10.063 3.046) 18.047 5.430 ( -9.178 4.362 7.005) 12.342 5.593 ( 6.844 2.902 -0.645) 7.462 5.712 ( -3.460 0.215 2.531) 4.292 5.724 ( -1.161 1.028 -0.567) 1.651 5.769 ( 0.078 0.130 -4.129) 4.132 5.938 ( 3.539 2.065 -4.516) 6.098 5.977 ( 5.898 3.473 -2.752) 7.378 6.174 ( 1.543 1.378 7.230) 7.520 6.244 ( -0.204 -2.121 5.513) 5.910 6.307 ( 4.654 1.460 -4.580) 6.691 6.461 ( 4.078 -4.799 -13.022) 14.465 6.664 ( -0.115 6.330 -2.484) 6.801 6.726 ( 4.209 5.609 -0.794) 7.058 6.849 ( -7.594 -5.978 6.714) 11.768 6.981 ( -2.076 6.710 5.689) 9.039 7.079 ( 1.177 -0.371 -2.339) 2.644 7.108 ( 3.628 -0.336 -1.203) 3.837 7.182 ( 4.517 -1.771 -5.970) 7.693 7.193 ( -0.686 -0.360 -0.713) 1.053 7.363 ( 2.353 2.699 3.338) 4.896 7.496 ( 4.365 0.756 -5.124) 6.773 7.616 ( -2.888 -3.197 2.964) 5.229 7.757 ( 5.101 -4.116 -6.156) 8.992 8.097 ( 0.441 -0.329 3.214) 3.261 8.144 ( 1.145 -0.002 -1.579) 1.950 8.440 ( -2.434 -11.124 -0.846) 11.418 8.457 ( -1.167 -10.021 0.145) 10.090 8.641 ( -2.797 7.336 4.699) 9.150 8.764 ( 4.820 8.360 -2.544) 9.979 8.953 ( 0.373 -6.308 5.431) 8.332 8.997 ( -0.480 -0.885 -3.493) 3.635 9.603 ( -2.276 3.499 0.045) 4.175 9.673 ( 4.688 3.611 0.698) 5.958 9.959 ( -1.801 -5.449 1.855) 6.031 10.074 ( 9.029 -7.956 1.354) 12.111 17.617 ( -0.706 0.213 -0.339) 0.812 17.625 ( 0.583 -0.097 0.409) 0.719 17.674 ( -0.587 0.286 -0.010) 0.653 17.685 ( 0.449 -0.132 -0.104) 0.480 17.986 ( -0.106 0.145 0.557) 0.585 17.993 ( 0.103 -0.141 -0.123) 0.214 18.023 ( -0.125 0.149 0.179) 0.264 18.026 ( -0.055 -0.017 -0.250) 0.257 30.341 ( -0.705 0.359 0.829) 1.146 30.348 ( -0.191 -0.002 0.771) 0.794 30.534 ( -0.358 2.889 -1.657) 3.350 30.538 ( 0.650 2.872 -0.809) 3.054 49.528 ( -5.148 -1.128 -0.074) 5.271 49.561 ( 1.267 -2.219 5.726) 6.271 49.911 ( -4.656 3.081 0.509) 5.606 50.045 ( 1.722 -2.880 -9.684) 10.249 ======================= Grid point 213 (117/128) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -17.683 1.623 11.294) 21.044 2.469 ( -2.006 -17.895 9.571) 20.393 2.867 ( -17.963 10.734 7.851) 22.351 3.069 ( -2.367 -1.373 0.318) 2.755 3.196 ( -5.062 -5.801 1.973) 7.947 3.350 ( -3.748 -2.076 -3.532) 5.553 3.510 ( -4.499 -3.360 1.920) 5.934 3.706 ( -6.013 -10.237 1.343) 11.948 3.892 ( 4.241 -1.315 -4.599) 6.393 3.993 ( -3.900 -1.841 -7.477) 8.632 4.157 ( 3.050 11.556 -0.372) 11.958 4.400 ( 0.155 2.706 -0.727) 2.806 4.590 ( -9.157 -2.724 -2.282) 9.822 4.634 ( -1.832 -3.370 -14.393) 14.895 4.699 ( -0.342 1.898 7.063) 7.321 4.834 ( 2.265 -5.552 4.703) 7.621 4.991 ( -9.674 10.292 1.169) 14.173 5.029 ( 0.927 4.666 11.126) 12.100 5.093 ( -5.211 5.491 -5.016) 9.081 5.180 ( -3.466 1.201 10.694) 11.305 5.225 ( -4.251 1.019 -4.152) 6.029 5.356 ( -2.839 3.960 2.728) 5.584 5.561 ( -6.358 3.195 -0.028) 7.116 5.679 ( 0.077 -4.643 -4.741) 6.636 5.709 ( 0.110 -0.273 0.280) 0.406 5.781 ( -0.333 -0.126 5.134) 5.146 5.984 ( 2.708 1.382 2.957) 4.241 6.066 ( 1.720 -0.993 -0.427) 2.031 6.215 ( 5.675 -2.574 -9.622) 11.463 6.238 ( -4.600 6.794 -3.972) 9.116 6.357 ( 1.298 1.816 7.177) 7.516 6.456 ( 1.267 -10.570 -6.714) 12.586 6.713 ( 6.827 4.172 -2.453) 8.368 6.762 ( -2.634 1.669 2.585) 4.050 6.866 ( 6.381 9.992 2.858) 12.195 6.981 ( -1.092 5.316 3.425) 6.417 7.098 ( 1.624 1.906 -1.548) 2.944 7.157 ( 3.946 5.123 -3.263) 7.243 7.184 ( 2.850 -4.634 -3.198) 6.310 7.311 ( 6.180 -3.670 7.786) 10.596 7.489 ( 7.129 0.134 0.577) 7.154 7.540 ( 2.817 0.380 -4.025) 4.928 7.592 ( 0.274 0.326 1.300) 1.368 7.821 ( 5.905 -3.767 -5.266) 8.763 8.093 ( 0.621 -1.300 -4.043) 4.292 8.204 ( 2.222 -1.970 2.255) 3.729 8.329 ( -3.146 -5.307 -3.803) 7.248 8.386 ( -6.835 -9.292 -2.207) 11.744 8.650 ( -1.101 4.560 1.596) 4.955 8.805 ( 1.195 8.300 -2.168) 8.661 8.916 ( 2.856 -3.308 0.505) 4.399 9.104 ( 3.480 -6.905 4.670) 9.033 9.601 ( 1.317 2.576 1.388) 3.209 9.756 ( 3.006 -3.950 2.666) 5.635 10.085 ( 11.913 2.980 2.103) 12.459 10.309 ( 13.308 -7.294 0.818) 15.198 17.601 ( -0.693 0.795 -0.275) 1.090 17.639 ( 0.482 -0.764 0.334) 0.964 17.661 ( -0.751 0.742 0.046) 1.057 17.692 ( 0.307 -0.421 -0.040) 0.522 17.988 ( -0.051 0.086 0.302) 0.318 17.994 ( 0.134 -0.183 -0.114) 0.254 18.019 ( -0.252 0.179 -0.048) 0.313 18.025 ( -0.133 -0.007 0.149) 0.199 30.331 ( -0.696 0.933 0.094) 1.167 30.353 ( 0.179 -0.104 0.396) 0.447 30.495 ( -1.886 2.793 -1.538) 3.705 30.534 ( -0.925 1.589 -0.560) 1.922 49.373 ( -7.750 1.597 -4.300) 9.006 49.542 ( -5.790 -6.209 -0.932) 8.541 49.812 ( -5.833 5.047 2.005) 7.970 49.987 ( -2.791 -1.843 -2.945) 4.457 ======================= Grid point 214 (118/128) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -6.736 9.132 19.860) 22.874 2.443 ( -14.967 8.140 11.524) 20.569 2.605 ( -4.760 -11.315 1.643) 12.384 3.018 ( -4.103 -1.321 -4.650) 6.341 3.055 ( -6.633 -7.233 -2.148) 10.047 3.206 ( -5.519 -3.215 -4.773) 7.974 3.496 ( 1.263 -5.627 2.616) 6.332 3.576 ( -7.911 -8.587 4.666) 12.574 3.792 ( -8.646 9.115 5.570) 13.743 4.077 ( 3.872 -1.112 -6.516) 7.661 4.156 ( 0.237 -0.827 -2.782) 2.912 4.230 ( -11.811 3.831 -2.308) 12.630 4.385 ( -4.032 1.980 -1.463) 4.724 4.609 ( 3.650 -1.929 -2.572) 4.864 4.720 ( -4.935 2.625 5.944) 8.160 4.776 ( -9.938 1.057 3.960) 10.750 4.856 ( -5.869 0.450 -3.870) 7.044 5.042 ( -2.456 6.028 5.295) 8.391 5.113 ( 4.094 1.374 -1.754) 4.661 5.171 ( 2.948 -3.089 -0.821) 4.348 5.202 ( -1.007 5.860 4.172) 7.264 5.311 ( -2.000 -2.420 4.066) 5.137 5.489 ( -0.532 5.701 1.124) 5.835 5.664 ( 1.068 0.369 -2.973) 3.180 5.741 ( -1.432 -4.220 3.029) 5.388 5.751 ( -2.073 1.726 -0.326) 2.718 5.975 ( -2.681 7.038 -7.681) 10.757 6.044 ( -4.173 -1.172 6.298) 7.646 6.099 ( -3.626 2.114 -5.497) 6.916 6.295 ( 1.989 -9.530 2.094) 9.958 6.403 ( 2.206 -5.305 -0.701) 5.788 6.439 ( 2.562 -7.409 -4.903) 9.247 6.691 ( -5.245 8.500 -1.932) 10.173 6.865 ( 9.333 4.682 -0.837) 10.475 6.993 ( 2.680 5.126 0.221) 5.788 7.047 ( 0.539 1.710 0.469) 1.853 7.068 ( 4.279 7.905 -1.244) 9.075 7.174 ( 2.401 1.695 -2.187) 3.664 7.346 ( 8.455 0.197 3.758) 9.254 7.455 ( 1.821 1.454 5.755) 6.209 7.541 ( -0.095 -0.460 0.205) 0.512 7.616 ( 5.411 -2.852 1.264) 6.246 7.662 ( 4.457 2.041 1.437) 5.108 7.886 ( 4.174 -5.309 -7.252) 9.909 8.059 ( 0.121 -2.016 -5.250) 5.625 8.142 ( -8.025 -3.969 -6.738) 11.205 8.261 ( -0.330 -2.004 -4.520) 4.956 8.300 ( 0.628 -4.801 -1.275) 5.007 8.668 ( 2.709 6.856 2.933) 7.934 8.797 ( -1.264 5.618 0.392) 5.772 9.018 ( 3.614 -6.095 4.956) 8.647 9.199 ( 4.153 -7.865 0.865) 8.936 9.681 ( 4.899 3.318 4.635) 7.516 9.878 ( 6.277 -6.763 6.517) 11.296 10.347 ( 12.597 4.784 -2.555) 13.715 10.573 ( 13.114 -6.041 -1.949) 14.569 17.588 ( -0.421 1.212 -0.053) 1.284 17.639 ( -0.637 -0.254 -0.441) 0.816 17.656 ( 0.236 0.182 0.780) 0.835 17.696 ( 0.140 -0.640 -0.036) 0.656 17.990 ( 0.042 0.002 0.171) 0.176 17.996 ( 0.077 -0.269 -0.016) 0.280 18.014 ( -0.242 0.273 -0.120) 0.384 18.022 ( -0.286 -0.037 0.171) 0.335 30.315 ( -0.530 1.188 -1.034) 1.662 30.354 ( -0.135 -0.598 -1.048) 1.214 30.450 ( -2.003 2.098 0.958) 3.055 30.499 ( -2.224 0.518 0.319) 2.306 49.200 ( -5.693 2.305 -4.223) 7.454 49.359 ( -8.897 -4.902 -4.589) 11.146 49.705 ( -6.518 6.520 0.748) 9.249 49.888 ( -6.908 -0.697 1.728) 7.155 ======================= Grid point 215 (119/128) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 3.181 11.834 21.531) 24.774 2.209 ( -11.821 22.037 13.725) 28.526 2.586 ( -0.697 -12.648 -9.207) 15.660 2.829 ( -3.923 -4.854 -6.082) 8.714 3.018 ( -0.959 -6.391 1.632) 6.666 3.101 ( -2.308 -8.016 -2.329) 8.661 3.411 ( -7.532 -1.530 -7.426) 10.687 3.566 ( 1.324 -8.245 3.604) 9.095 3.707 ( -7.242 6.488 16.294) 18.975 3.893 ( -13.734 -2.951 -9.210) 16.797 4.016 ( -2.336 8.569 8.711) 12.440 4.289 ( 5.685 -6.803 0.790) 8.901 4.388 ( 1.118 8.145 1.309) 8.324 4.586 ( -6.014 1.831 -3.166) 7.039 4.615 ( -3.696 1.000 0.508) 3.863 4.654 ( -3.740 -2.276 3.304) 5.485 4.794 ( 0.340 -6.753 -7.407) 10.029 4.993 ( -3.204 1.040 6.953) 7.726 5.111 ( -3.671 1.684 -0.927) 4.144 5.200 ( 2.298 0.695 2.594) 3.535 5.301 ( 6.217 5.123 2.262) 8.367 5.396 ( 3.989 2.303 2.943) 5.466 5.531 ( 1.694 2.688 4.079) 5.170 5.569 ( -4.442 5.525 -13.502) 15.250 5.662 ( -0.558 2.030 0.969) 2.318 5.800 ( -0.882 -2.245 5.360) 5.877 5.898 ( -7.101 -4.050 2.782) 8.635 5.952 ( 2.117 1.409 -6.393) 6.880 6.071 ( 0.190 0.418 1.130) 1.220 6.259 ( -3.318 -7.004 -1.535) 7.901 6.451 ( 1.015 -4.880 -2.648) 5.644 6.494 ( 3.601 -5.172 0.108) 6.303 6.590 ( -0.952 7.256 -1.049) 7.393 6.862 ( -2.184 -4.022 -13.808) 14.547 7.037 ( 0.940 6.989 2.813) 7.592 7.066 ( 1.180 8.185 -1.639) 8.430 7.211 ( 5.863 5.119 3.214) 8.421 7.239 ( 3.678 0.919 3.557) 5.198 7.482 ( 2.524 3.376 4.217) 5.962 7.504 ( 1.320 4.517 2.745) 5.448 7.562 ( 1.777 -0.761 1.174) 2.262 7.709 ( 1.318 -0.328 3.393) 3.655 7.742 ( 2.120 -1.848 0.277) 2.826 7.850 ( -1.734 -3.041 -5.620) 6.621 7.929 ( -5.108 -2.499 -6.821) 8.880 8.034 ( 0.295 -5.048 -7.110) 8.725 8.240 ( 1.075 -0.864 -5.375) 5.549 8.283 ( -0.251 -4.421 -3.653) 5.740 8.769 ( 3.507 6.287 2.828) 7.734 8.786 ( -0.509 4.697 3.454) 5.852 9.113 ( 2.377 -6.041 4.922) 8.147 9.260 ( 1.964 -8.292 -1.628) 8.676 9.865 ( 7.703 3.985 9.548) 12.899 10.091 ( 8.397 -6.634 9.146) 14.077 10.484 ( 4.674 4.485 -6.742) 9.349 10.731 ( 4.973 -6.183 -7.110) 10.654 17.586 ( 0.157 1.294 0.215) 1.321 17.621 ( -0.847 0.546 -0.373) 1.074 17.670 ( 0.501 -0.496 0.630) 0.946 17.696 ( -0.079 -0.760 -0.129) 0.775 17.992 ( 0.022 -0.045 0.212) 0.218 17.996 ( -0.261 -0.198 0.284) 0.433 18.010 ( 0.034 0.221 -0.267) 0.348 18.017 ( -0.261 -0.063 -0.059) 0.275 30.299 ( -0.132 0.176 -0.969) 0.994 30.327 ( -1.370 -0.971 -1.134) 2.026 30.440 ( -0.414 1.549 1.715) 2.348 30.468 ( -1.247 0.527 0.929) 1.642 49.111 ( -0.532 1.622 -2.661) 3.162 49.190 ( -4.908 -1.772 -2.258) 5.685 49.591 ( -3.840 7.628 -0.471) 8.553 49.745 ( -8.568 0.400 1.223) 8.664 ======================= Grid point 216 (120/128) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -2.202 -11.434 5.122) 12.721 2.325 ( -2.202 11.434 5.122) 12.721 2.649 ( 2.158 -8.453 4.629) 9.877 2.649 ( 2.158 8.454 4.629) 9.877 2.947 ( 1.606 -4.758 -0.483) 5.045 2.947 ( 1.606 4.758 -0.483) 5.045 3.279 ( -3.569 -4.064 -6.701) 8.612 3.279 ( -3.569 4.064 -6.701) 8.612 3.719 ( 0.056 -1.136 2.215) 2.490 3.719 ( 0.056 1.136 2.215) 2.490 4.267 ( 2.543 -4.021 -2.286) 5.278 4.267 ( 2.543 4.021 -2.286) 5.278 4.493 ( -10.345 -6.654 8.133) 14.746 4.493 ( -10.345 6.654 8.133) 14.746 4.594 ( 1.439 -3.514 -1.284) 4.009 4.594 ( 1.439 3.514 -1.284) 4.009 4.852 ( 8.292 -10.201 5.569) 14.277 4.852 ( 8.292 10.201 5.569) 14.277 5.244 ( 0.076 -5.608 7.720) 9.543 5.244 ( 0.076 5.608 7.720) 9.543 5.442 ( -3.711 -1.032 -5.321) 6.569 5.442 ( -3.711 1.032 -5.321) 6.569 5.500 ( 0.653 -1.976 -3.475) 4.051 5.500 ( 0.653 1.976 -3.475) 4.051 5.736 ( 0.612 -3.787 4.254) 5.728 5.736 ( 0.612 3.787 4.254) 5.728 5.872 ( 1.052 -7.481 -5.795) 9.521 5.872 ( 1.052 7.481 -5.795) 9.521 6.075 ( -2.151 -1.342 -2.605) 3.635 6.075 ( -2.151 1.342 -2.605) 3.635 6.496 ( 0.247 -1.954 2.609) 3.269 6.496 ( 0.247 1.954 2.609) 3.269 6.682 ( 0.513 -3.072 -3.361) 4.582 6.682 ( 0.513 3.072 -3.361) 4.582 7.129 ( 2.353 -2.516 -5.311) 6.330 7.129 ( 2.353 2.516 -5.311) 6.330 7.343 ( 1.603 -0.236 3.801) 4.132 7.343 ( 1.603 0.236 3.801) 4.132 7.569 ( -0.996 -0.271 2.172) 2.405 7.569 ( -0.996 0.271 2.172) 2.405 7.695 ( -0.934 -4.304 4.476) 6.280 7.695 ( -0.934 4.304 4.476) 6.280 7.758 ( -0.814 -3.912 -0.538) 4.032 7.758 ( -0.814 3.912 -0.538) 4.032 7.819 ( -1.493 -3.504 -5.581) 6.757 7.819 ( -1.493 3.504 -5.581) 6.757 8.201 ( 1.128 -0.935 -5.835) 6.016 8.201 ( 1.128 0.935 -5.835) 6.016 8.880 ( -0.401 -1.309 3.324) 3.594 8.880 ( -0.401 1.309 3.324) 3.594 9.131 ( 0.164 -2.549 -0.204) 2.562 9.131 ( 0.164 2.549 -0.204) 2.562 10.178 ( 4.055 -4.743 8.888) 10.860 10.178 ( 4.055 4.743 8.888) 10.860 10.527 ( -4.975 -4.504 -6.341) 9.233 10.527 ( -4.975 4.504 -6.341) 9.233 17.612 ( -0.006 -0.254 -0.027) 0.256 17.612 ( -0.006 0.254 -0.027) 0.256 17.678 ( 0.070 -0.280 0.084) 0.301 17.678 ( 0.070 0.280 0.084) 0.301 17.991 ( -0.355 -0.139 0.507) 0.635 17.991 ( -0.355 0.139 0.507) 0.635 18.013 ( 0.248 -0.081 -0.349) 0.435 18.013 ( 0.248 0.081 -0.349) 0.435 30.289 ( -0.294 -0.171 -0.294) 0.450 30.289 ( -0.294 0.171 -0.294) 0.450 30.472 ( 0.758 -0.266 0.298) 0.857 30.472 ( 0.758 0.266 0.298) 0.857 49.120 ( -0.276 -0.265 -0.833) 0.917 49.120 ( -0.276 0.265 -0.833) 0.917 49.651 ( 1.206 -0.410 -1.494) 1.964 49.651 ( 1.206 0.410 -1.494) 1.964 ======================= Grid point 218 (121/128) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -0.186 -5.677 3.054) 6.449 2.334 ( -0.186 5.677 3.054) 6.449 2.664 ( -0.466 -1.857 0.593) 2.004 2.664 ( -0.466 1.857 0.593) 2.004 2.968 ( 3.442 -4.488 -3.088) 6.444 2.968 ( 3.442 4.488 -3.088) 6.444 3.369 ( 9.752 -7.768 4.140) 13.137 3.369 ( 9.752 7.768 4.140) 13.137 3.767 ( 3.456 -2.377 0.985) 4.308 3.767 ( 3.456 2.377 0.985) 4.308 4.214 ( -4.590 -1.323 -4.583) 6.620 4.214 ( -4.590 1.323 -4.583) 6.620 4.394 ( -5.736 -7.225 10.356) 13.869 4.394 ( -5.736 7.225 10.356) 13.869 4.673 ( 6.633 -1.579 -0.530) 6.839 4.673 ( 6.633 1.579 -0.530) 6.839 5.039 ( 6.224 -3.607 -5.992) 9.362 5.039 ( 6.224 3.607 -5.992) 9.362 5.227 ( -4.208 -0.223 0.885) 4.305 5.227 ( -4.208 0.223 0.885) 4.305 5.446 ( 5.720 -7.200 5.393) 10.660 5.446 ( 5.720 7.200 5.393) 10.660 5.512 ( 3.191 -5.520 -2.889) 7.000 5.512 ( 3.191 5.520 -2.889) 7.000 5.780 ( 1.558 -2.638 1.528) 3.423 5.780 ( 1.558 2.638 1.528) 3.423 5.840 ( 0.171 -6.625 -4.455) 7.986 5.840 ( 0.171 6.625 -4.455) 7.986 6.047 ( -0.156 -2.098 3.709) 4.264 6.047 ( -0.156 2.098 3.709) 4.264 6.429 ( -7.616 -3.707 -0.321) 8.476 6.429 ( -7.616 3.707 -0.321) 8.476 6.696 ( 3.137 -2.468 -2.045) 4.485 6.696 ( 3.137 2.468 -2.045) 4.485 7.170 ( 4.138 -2.613 -4.841) 6.884 7.170 ( 4.138 2.613 -4.841) 6.884 7.337 ( -2.043 -1.518 -2.735) 3.736 7.337 ( -2.043 1.518 -2.735) 3.736 7.536 ( -4.622 -3.066 2.391) 6.040 7.536 ( -4.622 3.066 2.391) 6.040 7.666 ( -5.044 -4.582 2.862) 7.391 7.666 ( -5.044 4.582 2.862) 7.391 7.742 ( -1.611 -4.028 3.323) 5.465 7.742 ( -1.611 4.028 3.323) 5.465 7.820 ( 3.953 -2.441 -0.179) 4.649 7.820 ( 3.953 2.441 -0.179) 4.649 8.195 ( 1.777 -2.528 -3.548) 4.705 8.195 ( 1.777 2.528 -3.548) 4.705 8.867 ( -2.929 -1.733 1.824) 3.861 8.867 ( -2.929 1.733 1.824) 3.861 9.112 ( -1.806 -2.085 -0.494) 2.802 9.112 ( -1.806 2.085 -0.494) 2.802 10.131 ( -9.339 -3.826 -6.073) 11.779 10.131 ( -9.339 3.826 -6.073) 11.779 10.436 ( -4.827 -4.473 8.356) 10.637 10.436 ( -4.827 4.473 8.356) 10.637 17.612 ( 0.045 -0.704 0.009) 0.705 17.612 ( 0.045 0.704 0.009) 0.705 17.680 ( 0.141 -0.443 -0.109) 0.477 17.680 ( 0.141 0.443 -0.109) 0.477 17.988 ( -0.397 -0.258 0.579) 0.748 17.988 ( -0.397 0.258 0.579) 0.748 18.017 ( 0.457 -0.198 -0.340) 0.603 18.017 ( 0.457 0.198 -0.340) 0.603 30.291 ( 0.387 -0.691 0.522) 0.949 30.291 ( 0.387 0.691 0.522) 0.949 30.495 ( 1.855 -0.300 -1.354) 2.316 30.495 ( 1.855 0.300 -1.354) 2.316 49.118 ( 0.811 -2.329 0.645) 2.549 49.118 ( 0.811 2.329 0.645) 2.549 49.740 ( 8.547 -4.618 -2.828) 10.118 49.740 ( 8.547 4.618 -2.828) 10.118 ======================= Grid point 220 (122/128) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 1.937 -9.572 -8.115) 12.697 2.327 ( 1.937 9.572 -8.115) 12.697 2.775 ( 8.050 -2.939 9.267) 12.622 2.775 ( 8.050 2.939 9.267) 12.622 3.062 ( 7.784 -6.749 -1.770) 10.453 3.062 ( 7.784 6.749 -1.770) 10.453 3.517 ( 3.050 -3.256 -2.174) 4.963 3.517 ( 3.050 3.256 -2.174) 4.963 3.885 ( 2.093 -1.488 7.742) 8.157 3.885 ( 2.093 1.488 7.742) 8.157 4.105 ( -0.938 -1.674 0.187) 1.928 4.105 ( -0.938 1.674 0.187) 1.928 4.401 ( -0.312 -4.794 4.633) 6.674 4.401 ( -0.312 4.794 4.633) 6.674 4.819 ( 6.123 -1.341 2.232) 6.654 4.819 ( 6.123 1.341 2.232) 6.654 4.982 ( -4.934 -1.381 0.877) 5.198 4.982 ( -4.934 1.381 0.877) 5.198 5.226 ( 3.900 -4.256 -6.036) 8.352 5.226 ( 3.900 4.256 -6.036) 8.352 5.485 ( 4.060 -4.635 -8.515) 10.511 5.485 ( 4.060 4.635 -8.515) 10.511 5.594 ( 0.364 -1.175 -0.409) 1.296 5.594 ( 0.364 1.175 -0.409) 1.296 5.790 ( -0.182 -4.897 -2.070) 5.320 5.790 ( -0.182 4.897 -2.070) 5.320 5.964 ( 8.111 -6.674 8.161) 13.302 5.964 ( 8.111 6.674 8.161) 13.302 6.107 ( 2.907 -5.132 3.728) 6.978 6.107 ( 2.907 5.132 3.728) 6.978 6.276 ( -3.472 -4.671 -1.964) 6.143 6.276 ( -3.472 4.671 -1.964) 6.143 6.748 ( 1.667 -1.699 1.575) 2.854 6.748 ( 1.667 1.699 1.575) 2.854 7.152 ( -3.546 -4.760 -5.706) 8.234 7.152 ( -3.546 4.760 -5.706) 8.234 7.245 ( -3.049 -4.043 -5.374) 7.384 7.245 ( -3.049 4.043 -5.374) 7.384 7.450 ( -5.270 -7.167 0.910) 8.942 7.450 ( -5.270 7.167 0.910) 8.942 7.565 ( -5.708 -3.348 1.541) 6.795 7.565 ( -5.708 3.348 1.541) 6.795 7.725 ( -2.177 -2.637 1.189) 3.621 7.725 ( -2.177 2.637 1.189) 3.621 7.935 ( 4.561 -1.782 5.238) 7.171 7.935 ( 4.561 1.782 5.238) 7.171 8.209 ( 1.446 -3.212 -1.509) 3.832 8.209 ( 1.446 3.212 -1.509) 3.832 8.808 ( -4.134 -4.576 2.227) 6.557 8.808 ( -4.134 4.576 2.227) 6.557 9.058 ( -2.701 -4.977 -1.289) 5.808 9.058 ( -2.701 4.977 -1.289) 5.808 9.884 ( -8.746 -5.167 -6.376) 11.993 9.884 ( -8.746 5.167 -6.376) 11.993 10.355 ( -10.466 -5.486 7.566) 14.032 10.355 ( -10.466 5.486 7.566) 14.032 17.614 ( 0.132 -1.177 0.057) 1.186 17.614 ( 0.132 1.177 0.057) 1.186 17.681 ( 0.139 -0.762 -0.214) 0.803 17.681 ( 0.139 0.762 -0.214) 0.803 17.985 ( -0.298 -0.235 0.554) 0.672 17.985 ( -0.298 0.235 0.554) 0.672 18.024 ( 0.403 -0.289 -0.287) 0.573 18.024 ( 0.403 0.289 -0.287) 0.573 30.311 ( 0.783 -0.916 1.341) 1.803 30.311 ( 0.783 0.916 1.341) 1.803 30.519 ( 1.956 -0.941 -2.045) 2.982 30.519 ( 1.956 0.941 -2.045) 2.982 49.184 ( 4.351 -3.618 3.541) 6.675 49.184 ( 4.351 3.618 3.541) 6.675 49.894 ( 9.177 -5.773 -4.886) 11.892 49.894 ( 9.177 5.773 -4.886) 11.892 ======================= Grid point 222 (123/128) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 4.791 -10.667 -11.015) 16.065 2.320 ( 4.791 10.667 -11.015) 16.065 3.018 ( 7.318 -4.452 7.521) 11.399 3.018 ( 7.318 4.452 7.521) 11.399 3.231 ( 7.629 -5.121 1.889) 9.381 3.231 ( 7.629 5.121 1.889) 9.381 3.541 ( 4.121 -6.881 -2.039) 8.276 3.541 ( 4.121 6.881 -2.039) 8.276 3.845 ( -5.017 -1.480 2.353) 5.735 3.845 ( -5.017 1.480 2.353) 5.735 4.205 ( 0.730 -7.426 8.526) 11.330 4.205 ( 0.730 7.426 8.526) 11.330 4.468 ( 5.943 -3.411 2.900) 7.441 4.468 ( 5.943 3.411 2.900) 7.441 4.787 ( -10.552 -3.844 5.448) 12.482 4.787 ( -10.552 3.844 5.448) 12.482 5.052 ( 9.646 -2.905 -1.725) 10.221 5.052 ( 9.646 2.905 -1.725) 10.221 5.251 ( 2.508 -2.468 -4.545) 5.748 5.251 ( 2.508 2.468 -4.545) 5.748 5.513 ( 2.243 -6.008 -3.241) 7.185 5.513 ( 2.243 6.008 -3.241) 7.185 5.607 ( 4.905 -1.519 -3.428) 6.174 5.607 ( 4.905 1.519 -3.428) 6.174 5.775 ( -0.689 -5.251 0.913) 5.374 5.775 ( -0.689 5.251 0.913) 5.374 6.018 ( -2.182 -3.173 2.101) 4.387 6.018 ( -2.182 3.173 2.101) 4.387 6.119 ( -2.642 -5.388 -0.379) 6.013 6.119 ( -2.642 5.388 -0.379) 6.013 6.430 ( 12.072 -8.651 -1.406) 14.918 6.430 ( 12.072 8.651 -1.406) 14.918 6.772 ( -0.078 -1.955 1.402) 2.406 6.772 ( -0.078 1.955 1.402) 2.406 6.971 ( -8.048 -2.443 -3.840) 9.245 6.971 ( -8.048 2.443 -3.840) 9.245 7.157 ( -4.367 -1.237 -1.176) 4.688 7.157 ( -4.367 1.237 -1.176) 4.688 7.322 ( -5.664 -5.173 -3.847) 8.581 7.322 ( -5.664 5.173 -3.847) 8.581 7.501 ( -2.633 -3.436 1.526) 4.589 7.501 ( -2.633 3.436 1.526) 4.589 7.676 ( -2.526 -4.027 -1.159) 4.893 7.676 ( -2.526 4.027 -1.159) 4.893 8.049 ( 2.239 -6.596 6.718) 9.677 8.049 ( 2.239 6.596 6.718) 9.677 8.231 ( 2.158 -1.785 -1.486) 3.170 8.231 ( 2.158 1.785 -1.486) 3.170 8.761 ( -2.749 -6.049 4.419) 7.979 8.761 ( -2.749 6.049 4.419) 7.979 8.999 ( -1.859 -8.257 -2.066) 8.712 8.999 ( -1.859 8.257 -2.066) 8.712 9.727 ( -3.309 -4.593 -3.548) 6.681 9.727 ( -3.309 4.593 -3.548) 6.681 10.158 ( -12.916 -4.936 3.245) 14.203 10.158 ( -12.916 4.936 3.245) 14.203 17.618 ( 0.162 -1.074 0.091) 1.090 17.618 ( 0.162 1.074 0.091) 1.090 17.682 ( 0.093 -0.642 -0.213) 0.682 17.682 ( 0.093 0.642 -0.213) 0.682 17.985 ( -0.148 -0.203 0.529) 0.586 17.985 ( -0.148 0.203 0.529) 0.586 18.028 ( 0.206 -0.274 -0.278) 0.441 18.028 ( 0.206 0.274 -0.278) 0.441 30.335 ( 0.437 -0.544 1.369) 1.537 30.335 ( 0.437 0.544 1.369) 1.537 30.542 ( 1.742 -1.319 -1.390) 2.590 30.542 ( 1.742 1.319 -1.390) 2.590 49.327 ( 5.733 -4.186 6.434) 9.580 49.327 ( 5.733 4.186 6.434) 9.580 50.000 ( 5.999 -4.523 -6.933) 10.224 50.000 ( 5.999 4.523 -6.933) 10.224 ======================= Grid point 224 (124/128) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 0.590 -4.619 -6.276) 7.815 2.317 ( 0.590 4.619 -6.276) 7.815 3.147 ( 2.054 -3.480 3.853) 5.584 3.147 ( 2.054 3.480 3.853) 5.584 3.279 ( -3.103 -5.013 1.609) 6.111 3.279 ( -3.103 5.013 1.609) 6.111 3.628 ( 1.834 -4.025 -0.510) 4.453 3.628 ( 1.834 4.025 -0.510) 4.453 3.906 ( 6.752 -9.617 10.906) 16.032 3.906 ( 6.752 9.617 10.906) 16.032 4.229 ( 2.535 -8.143 -3.452) 9.200 4.229 ( 2.535 8.143 -3.452) 9.200 4.523 ( -7.866 -4.674 -1.974) 9.360 4.523 ( -7.866 4.674 -1.974) 9.360 4.726 ( 4.751 -3.211 11.355) 12.721 4.726 ( 4.751 3.211 11.355) 12.721 5.145 ( -0.304 -2.756 -7.688) 8.173 5.145 ( -0.304 2.756 -7.688) 8.173 5.292 ( 3.986 -3.199 2.041) 5.504 5.292 ( 3.986 3.199 2.041) 5.504 5.508 ( -1.533 -4.019 2.353) 4.903 5.508 ( -1.533 4.019 2.353) 4.903 5.680 ( 1.917 -4.862 -1.821) 5.534 5.680 ( 1.917 4.862 -1.821) 5.534 5.807 ( 3.406 -6.025 -3.448) 7.732 5.807 ( 3.406 6.025 -3.448) 7.732 5.993 ( -2.590 -4.641 0.332) 5.325 5.993 ( -2.590 4.641 0.332) 5.325 6.068 ( -1.169 -5.784 7.126) 9.252 6.068 ( -1.169 5.784 7.126) 9.252 6.485 ( 0.723 -7.446 -13.469) 15.407 6.485 ( 0.723 7.446 -13.469) 15.407 6.794 ( -2.508 -4.681 2.962) 6.081 6.794 ( -2.507 4.681 2.962) 6.081 6.850 ( 0.315 -6.940 -2.552) 7.401 6.850 ( 0.315 6.940 -2.552) 7.401 7.073 ( -4.251 -1.426 4.849) 6.605 7.073 ( -4.251 1.426 4.849) 6.605 7.230 ( 0.858 -1.502 -6.990) 7.201 7.230 ( 0.858 1.502 -6.990) 7.201 7.462 ( -3.234 -3.771 3.638) 6.157 7.462 ( -3.234 3.771 3.638) 6.157 7.633 ( 0.960 -4.589 -4.588) 6.559 7.633 ( 0.960 4.589 -4.588) 6.559 8.123 ( 0.692 -6.949 4.854) 8.505 8.123 ( 0.692 6.949 4.854) 8.505 8.267 ( 2.204 -6.178 -0.922) 6.623 8.267 ( 2.204 6.178 -0.922) 6.623 8.778 ( -0.128 -4.474 6.625) 7.995 8.778 ( -0.128 4.474 6.625) 7.995 8.947 ( -1.404 -8.913 -3.285) 9.602 8.947 ( -1.404 8.913 -3.285) 9.602 9.692 ( 0.871 -3.292 -1.233) 3.622 9.692 ( 0.871 3.292 -1.233) 3.622 9.949 ( -8.402 -3.543 0.819) 9.155 9.949 ( -8.402 3.543 0.819) 9.155 17.621 ( 0.084 -0.538 0.075) 0.549 17.621 ( 0.084 0.538 0.075) 0.549 17.682 ( 0.016 -0.248 -0.141) 0.285 17.682 ( 0.016 0.248 -0.141) 0.285 17.987 ( -0.023 -0.195 0.445) 0.486 17.987 ( -0.023 0.195 0.445) 0.486 18.028 ( 0.008 -0.194 -0.226) 0.298 18.028 ( 0.008 0.194 -0.226) 0.298 30.347 ( -0.167 -0.167 1.065) 1.091 30.347 ( -0.167 0.167 1.065) 1.091 30.564 ( 1.228 -0.977 -0.972) 1.846 30.564 ( 1.228 0.977 -0.972) 1.846 49.473 ( 3.132 -2.855 6.942) 8.133 49.473 ( 3.132 2.855 6.942) 8.133 50.021 ( 1.987 -2.897 -7.525) 8.304 50.021 ( 1.987 2.897 -7.525) 8.304 ======================= Grid point 226 (125/128) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -7.626 -4.790 2.260) 9.285 2.228 ( -7.626 4.790 2.260) 9.285 3.149 ( -4.472 -3.717 3.836) 6.966 3.149 ( -4.472 3.717 3.836) 6.966 3.243 ( -2.556 -7.139 4.810) 8.979 3.243 ( -2.556 7.139 4.810) 8.979 3.601 ( -3.814 -3.106 1.693) 5.202 3.601 ( -3.814 3.106 1.693) 5.202 4.068 ( -1.865 -7.340 -1.191) 7.666 4.068 ( -1.865 7.340 -1.191) 7.666 4.239 ( 4.486 -8.531 -4.674) 10.712 4.239 ( 4.486 8.531 -4.674) 10.712 4.469 ( 7.823 -1.524 -1.151) 8.053 4.469 ( 7.823 1.524 -1.151) 8.053 4.912 ( 1.311 -2.325 1.615) 3.120 4.912 ( 1.311 2.325 1.615) 3.120 4.981 ( -6.500 -1.320 0.911) 6.695 4.981 ( -6.500 1.320 0.911) 6.695 5.307 ( -4.914 -1.324 1.986) 5.463 5.307 ( -4.914 1.324 1.986) 5.463 5.510 ( -0.726 -3.631 2.153) 4.283 5.510 ( -0.726 3.631 2.153) 4.283 5.695 ( -9.502 -4.668 -2.010) 10.776 5.695 ( -9.502 4.668 -2.010) 10.776 5.713 ( 1.301 -4.164 1.545) 4.628 5.713 ( 1.301 4.164 1.545) 4.628 5.986 ( 1.163 -2.163 0.592) 2.526 5.986 ( 1.163 2.163 0.592) 2.526 6.200 ( 4.683 -1.534 8.071) 9.456 6.200 ( 4.683 1.534 8.071) 9.456 6.361 ( -0.130 -3.698 -13.400) 13.901 6.361 ( -0.130 3.698 -13.400) 13.901 6.753 ( -2.248 -3.028 3.340) 5.038 6.753 ( -2.248 3.028 3.340) 5.038 6.915 ( 7.186 -10.158 -3.155) 12.837 6.915 ( 7.186 10.158 -3.155) 12.837 7.071 ( -0.027 -1.983 5.212) 5.577 7.071 ( -0.027 1.983 5.212) 5.577 7.209 ( 1.189 -1.886 -6.613) 6.979 7.209 ( 1.189 1.886 -6.613) 6.979 7.460 ( 0.366 -5.698 4.309) 7.153 7.460 ( 0.366 5.698 4.309) 7.153 7.642 ( 3.925 -5.860 -6.198) 9.389 7.642 ( 3.925 5.860 -6.198) 9.389 8.154 ( 0.144 -3.480 1.840) 3.939 8.154 ( 0.144 3.480 1.840) 3.939 8.282 ( -0.132 -3.011 -2.037) 3.638 8.282 ( -0.132 3.011 -2.037) 3.638 8.802 ( -3.388 -7.106 5.963) 9.875 8.802 ( -3.388 7.106 5.963) 9.875 8.931 ( 3.109 -5.503 -3.193) 7.082 8.931 ( 3.109 5.503 -3.193) 7.082 9.679 ( -2.246 -3.003 0.103) 3.751 9.679 ( -2.246 3.003 0.103) 3.751 9.937 ( 6.984 -3.968 1.786) 8.229 9.937 ( 6.984 3.968 1.786) 8.229 17.622 ( -0.049 -0.225 0.011) 0.231 17.622 ( -0.049 0.225 0.011) 0.231 17.680 ( -0.075 -0.292 -0.027) 0.303 17.680 ( -0.075 0.292 -0.027) 0.303 17.990 ( 0.001 -0.152 0.230) 0.276 17.990 ( 0.001 0.152 0.230) 0.276 18.026 ( -0.099 -0.079 -0.051) 0.137 18.026 ( -0.099 0.079 -0.051) 0.137 30.348 ( -0.424 -0.151 0.961) 1.061 30.348 ( -0.424 0.151 0.961) 1.061 30.568 ( 0.036 -0.128 -1.437) 1.443 30.568 ( 0.036 0.128 -1.437) 1.443 49.526 ( -2.216 -0.941 3.039) 3.877 49.526 ( -2.216 0.941 3.039) 3.877 49.978 ( -1.128 -3.270 -4.575) 5.735 49.978 ( -1.128 3.270 -4.575) 5.735 ======================= Grid point 228 (126/128) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -8.167 -13.997 9.774) 18.925 2.104 ( -8.167 13.997 9.774) 18.925 3.067 ( -6.763 -1.019 0.949) 6.905 3.067 ( -6.763 1.019 0.949) 6.905 3.186 ( -8.683 -10.046 9.192) 16.150 3.186 ( -8.683 10.046 9.192) 16.150 3.530 ( -4.426 -5.031 -2.025) 7.000 3.530 ( -4.426 5.031 -2.025) 7.000 3.921 ( -1.352 -3.219 -6.436) 7.322 3.921 ( -1.352 3.219 -6.436) 7.322 4.384 ( 8.833 -7.346 -3.289) 11.950 4.384 ( 8.833 7.346 -3.289) 11.950 4.547 ( -7.580 -1.210 -8.597) 11.525 4.547 ( -7.580 1.210 -8.597) 11.525 4.749 ( 0.071 -2.755 4.903) 5.624 4.749 ( 0.071 2.755 4.903) 5.624 5.074 ( 1.388 -1.581 4.683) 5.134 5.074 ( 1.388 1.581 4.683) 5.134 5.180 ( -5.785 -2.994 -1.586) 6.705 5.180 ( -5.785 2.994 -1.586) 6.705 5.428 ( -14.472 -5.144 4.302) 15.950 5.428 ( -14.472 5.144 4.302) 15.950 5.548 ( 0.257 -3.783 2.730) 4.672 5.548 ( 0.257 3.783 2.730) 4.672 5.719 ( -1.809 -2.339 2.168) 3.666 5.719 ( -1.809 2.339 2.168) 3.666 6.043 ( 1.350 -2.549 4.868) 5.658 6.043 ( 1.350 2.549 4.868) 5.658 6.226 ( 3.054 -6.022 -11.175) 13.057 6.226 ( 3.054 6.022 -11.175) 13.057 6.362 ( -2.069 -3.444 2.882) 4.945 6.362 ( -2.069 3.444 2.882) 4.945 6.777 ( 4.706 -1.994 0.796) 5.173 6.777 ( 4.706 1.994 0.796) 5.173 7.019 ( 5.634 -6.543 -7.119) 11.191 7.019 ( 5.634 6.543 -7.119) 11.191 7.129 ( -0.256 -2.809 3.684) 4.640 7.129 ( -0.256 2.809 3.684) 4.640 7.235 ( 6.429 -3.751 2.947) 8.006 7.235 ( 6.429 3.751 2.947) 8.006 7.513 ( 2.694 -2.040 -0.524) 3.420 7.513 ( 2.694 2.040 -0.524) 3.420 7.693 ( 5.122 -7.290 -3.781) 9.678 7.693 ( 5.122 7.290 -3.781) 9.678 8.151 ( -1.525 -5.749 -1.841) 6.227 8.151 ( -1.525 5.749 -1.841) 6.227 8.241 ( -0.638 -1.183 -2.692) 3.009 8.241 ( -0.638 1.183 -2.692) 3.009 8.785 ( -1.168 -7.061 3.169) 7.827 8.785 ( -1.168 7.061 3.169) 7.827 8.977 ( 2.620 -6.496 -0.723) 7.042 8.977 ( 2.620 6.496 -0.723) 7.042 9.666 ( 0.804 -3.828 2.560) 4.675 9.666 ( 0.804 3.828 2.560) 4.675 10.174 ( 14.200 -5.324 1.376) 15.228 10.174 ( 14.200 5.324 1.376) 15.228 17.620 ( -0.150 -0.968 -0.064) 0.982 17.620 ( -0.150 0.968 -0.064) 0.982 17.678 ( -0.146 -0.815 0.110) 0.836 17.678 ( -0.146 0.815 0.110) 0.836 17.991 ( 0.013 -0.157 0.031) 0.161 17.991 ( 0.013 0.157 0.031) 0.161 18.023 ( -0.188 -0.161 0.108) 0.270 18.023 ( -0.188 0.161 0.108) 0.270 30.347 ( -0.216 -0.522 0.354) 0.667 30.347 ( -0.216 0.522 0.354) 0.667 30.540 ( -1.864 -1.106 -1.268) 2.511 30.540 ( -1.864 1.106 -1.268) 2.511 49.433 ( -6.731 -4.074 -2.662) 8.306 49.433 ( -6.731 4.074 -2.662) 8.306 49.916 ( -3.611 -4.519 0.043) 5.785 49.916 ( -3.611 4.519 0.043) 5.785 ======================= Grid point 230 (127/128) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.210 -18.615 12.592) 22.475 2.104 ( -0.210 18.615 12.592) 22.475 2.869 ( -13.343 -13.148 0.766) 18.748 2.869 ( -13.343 13.148 0.766) 18.748 3.064 ( -6.902 -6.906 0.372) 9.771 3.064 ( -6.902 6.906 0.372) 9.771 3.447 ( -1.472 -2.420 0.743) 2.928 3.447 ( -1.472 2.420 0.743) 2.928 3.965 ( 4.277 -6.815 1.190) 8.133 3.965 ( 4.277 6.815 1.190) 8.133 4.211 ( -13.501 -3.032 -10.103) 17.133 4.211 ( -13.501 3.032 -10.103) 17.133 4.505 ( 6.092 -6.841 -4.134) 10.050 4.505 ( 6.092 6.841 -4.134) 10.050 4.769 ( -6.496 -1.495 6.425) 9.258 4.769 ( -6.496 1.495 6.425) 9.258 4.989 ( -11.051 -9.971 -0.762) 14.904 4.989 ( -11.051 9.971 -0.762) 14.904 5.148 ( 1.139 -1.653 2.261) 3.024 5.148 ( 1.139 1.653 2.261) 3.024 5.290 ( -1.744 -0.521 9.103) 9.283 5.290 ( -1.744 0.521 9.103) 9.283 5.590 ( 2.143 -4.970 -0.290) 5.420 5.590 ( 2.143 4.970 -0.290) 5.420 5.719 ( -0.771 -2.748 4.286) 5.149 5.719 ( -0.771 2.748 4.286) 5.149 6.084 ( -2.879 -4.245 6.097) 7.968 6.084 ( -2.879 4.245 6.097) 7.968 6.150 ( -4.028 -3.830 -8.672) 10.301 6.150 ( -4.028 3.830 -8.672) 10.301 6.318 ( 3.328 -3.513 -5.321) 7.193 6.318 ( 3.328 3.513 -5.321) 7.193 6.849 ( 0.519 -5.526 -7.216) 9.104 6.849 ( 0.519 5.526 -7.216) 9.104 7.078 ( 5.295 -6.845 1.922) 8.865 7.078 ( 5.295 6.845 1.922) 8.865 7.160 ( 1.730 -1.179 1.683) 2.686 7.160 ( 1.730 1.179 1.683) 2.686 7.418 ( 6.919 -5.169 4.561) 9.766 7.418 ( 6.919 5.169 4.561) 9.766 7.558 ( 2.930 -2.455 -0.570) 3.865 7.558 ( 2.930 2.455 -0.570) 3.865 7.760 ( 3.544 -6.486 -3.114) 8.020 7.760 ( 3.544 6.486 -3.114) 8.020 8.057 ( -3.925 -2.411 -5.754) 7.370 8.057 ( -3.925 2.411 -5.754) 7.370 8.242 ( 1.724 -0.595 -2.993) 3.505 8.242 ( 1.724 0.595 -2.993) 3.505 8.800 ( 0.115 -5.128 3.167) 6.028 8.800 ( 0.115 5.128 3.167) 6.028 9.036 ( 3.475 -6.968 0.779) 7.825 9.036 ( 3.475 6.968 0.779) 7.825 9.759 ( 5.425 -4.445 6.093) 9.290 9.759 ( 5.425 4.445 6.093) 9.290 10.452 ( 13.018 -5.358 -2.243) 14.255 10.452 ( 13.018 5.358 -2.243) 14.255 17.616 ( -0.151 -1.379 -0.092) 1.390 17.616 ( -0.151 1.379 -0.092) 1.390 17.677 ( -0.152 -1.130 0.222) 1.161 17.677 ( -0.152 1.130 0.222) 1.161 17.991 ( 0.054 -0.154 0.023) 0.165 17.991 ( 0.054 0.154 0.023) 0.165 18.019 ( -0.289 -0.230 0.083) 0.378 18.019 ( -0.289 0.230 0.083) 0.378 30.338 ( -0.558 -0.941 -1.170) 1.601 30.338 ( -0.558 0.941 -1.170) 1.601 30.489 ( -2.519 -1.352 0.718) 2.948 30.489 ( -2.519 1.352 0.718) 2.948 49.266 ( -6.537 -3.845 -4.090) 8.616 49.266 ( -6.537 3.845 -4.090) 8.616 49.828 ( -5.992 -4.746 1.140) 7.728 49.828 ( -5.992 4.746 1.140) 7.728 ======================= Grid point 232 (128/128) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 4.707 -15.802 9.590) 19.074 2.255 ( 4.707 15.802 9.590) 19.074 2.643 ( -8.364 -15.463 3.008) 17.836 2.643 ( -8.364 15.463 3.008) 17.836 2.961 ( -2.336 -2.980 -2.424) 4.496 2.961 ( -2.336 2.980 -2.424) 4.496 3.433 ( -3.215 -3.803 -0.769) 5.039 3.433 ( -3.215 3.803 -0.769) 5.039 3.812 ( -10.715 -4.510 -5.431) 12.831 3.812 ( -10.715 4.510 -5.431) 12.831 4.165 ( 6.184 -5.461 2.563) 8.639 4.165 ( 6.184 5.461 2.563) 8.639 4.561 ( 1.323 -5.369 -1.889) 5.843 4.561 ( 1.323 5.369 -1.889) 5.843 4.667 ( -4.817 -2.968 -1.313) 5.808 4.667 ( -4.817 2.968 -1.313) 5.808 4.782 ( -10.372 -13.927 11.350) 20.745 4.782 ( -10.372 13.927 11.350) 20.745 5.191 ( 0.654 -2.762 4.036) 4.934 5.191 ( 0.654 2.762 4.036) 4.934 5.392 ( 4.075 -2.658 4.739) 6.792 5.392 ( 4.075 2.658 4.739) 6.792 5.606 ( -0.854 -3.581 -3.312) 4.952 5.606 ( -0.854 3.581 -3.312) 4.952 5.718 ( -2.810 -5.139 4.526) 7.403 5.718 ( -2.810 5.139 4.526) 7.403 5.933 ( -3.519 -4.575 -8.726) 10.462 5.933 ( -3.519 4.575 -8.726) 10.462 6.120 ( -0.205 -5.180 -1.679) 5.449 6.120 ( -0.205 5.180 -1.679) 5.449 6.406 ( 6.190 -1.940 0.526) 6.508 6.406 ( 6.190 1.940 0.526) 6.508 6.745 ( -3.145 -6.698 -6.678) 9.968 6.745 ( -3.145 6.698 -6.678) 9.968 7.146 ( 0.426 -1.906 -1.505) 2.466 7.146 ( 0.426 1.906 -1.505) 2.466 7.247 ( 4.289 -2.279 3.850) 6.198 7.247 ( 4.289 2.279 3.850) 6.198 7.537 ( 2.566 -1.329 2.763) 3.998 7.537 ( 2.566 1.329 2.763) 3.998 7.637 ( 3.322 -5.473 3.407) 7.253 7.637 ( 3.322 5.473 3.407) 7.253 7.775 ( 0.590 -3.575 -2.661) 4.495 7.775 ( 0.590 3.575 -2.661) 4.495 7.930 ( -3.786 -3.815 -7.391) 9.139 7.930 ( -3.786 3.815 -7.391) 9.139 8.232 ( 0.715 -0.505 -5.715) 5.782 8.232 ( 0.715 0.505 -5.715) 5.782 8.841 ( 0.956 -0.717 4.293) 4.456 8.841 ( 0.956 0.717 4.293) 4.456 9.105 ( 2.485 -5.254 0.440) 5.828 9.105 ( 2.485 5.254 0.440) 5.828 9.962 ( 8.360 -5.378 9.852) 13.995 9.962 ( 8.360 5.378 9.852) 13.995 10.597 ( 4.501 -6.168 -6.860) 10.265 10.597 ( 4.501 6.168 -6.860) 10.265 17.613 ( -0.066 -1.132 -0.064) 1.135 17.613 ( -0.066 1.132 -0.064) 1.135 17.676 ( -0.062 -0.952 0.228) 0.981 17.676 ( -0.062 0.952 0.228) 0.981 17.992 ( -0.063 -0.094 0.220) 0.247 17.992 ( -0.063 0.094 0.220) 0.247 18.014 ( -0.176 -0.191 -0.120) 0.286 18.014 ( -0.176 0.191 -0.120) 0.286 30.309 ( -1.065 -0.709 -1.276) 1.807 30.309 ( -1.065 0.709 -1.276) 1.807 30.465 ( -0.917 -0.751 1.604) 1.995 30.465 ( -0.917 0.751 1.604) 1.995 49.150 ( -2.403 -1.946 -2.401) 3.915 49.150 ( -2.403 1.946 -2.401) 3.915 49.711 ( -5.587 -3.688 -0.125) 6.695 49.711 ( -5.587 3.688 -0.125) 6.695 =================== 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 3/27216 10.0 1500.709 1753.963 2166.776 0.000 573.126 0.000 3/27216 20.0 265.618 215.523 371.086 0.000 40.905 0.000 3/27216 30.0 81.629 63.155 106.649 0.000 7.709 0.000 3/27216 40.0 37.162 28.929 46.772 0.000 2.746 0.000 3/27216 50.0 21.343 16.739 26.211 0.000 1.370 0.000 3/27216 60.0 14.216 11.194 17.152 0.000 0.830 0.000 3/27216 70.0 10.443 8.235 12.437 0.000 0.567 0.000 3/27216 80.0 8.200 6.466 9.671 0.000 0.419 0.000 3/27216 90.0 6.744 5.317 7.897 0.000 0.327 0.000 3/27216 100.0 5.736 4.519 6.679 0.000 0.267 0.000 3/27216 110.0 5.000 3.937 5.797 0.000 0.224 0.000 3/27216 120.0 4.440 3.494 5.130 0.000 0.193 0.000 3/27216 130.0 4.000 3.147 4.609 0.000 0.170 0.000 3/27216 140.0 3.644 2.867 4.189 0.000 0.151 0.000 3/27216 150.0 3.350 2.636 3.845 0.000 0.137 0.000 3/27216 160.0 3.103 2.442 3.556 0.000 0.125 0.000 3/27216 170.0 2.893 2.277 3.309 0.000 0.115 0.000 3/27216 180.0 2.710 2.136 3.097 0.000 0.107 0.000 3/27216 190.0 2.551 2.012 2.912 0.000 0.099 0.000 3/27216 200.0 2.410 1.904 2.749 0.000 0.093 0.000 3/27216 210.0 2.285 1.808 2.604 0.000 0.088 0.000 3/27216 220.0 2.173 1.723 2.474 0.000 0.083 0.000 3/27216 230.0 2.072 1.646 2.357 0.000 0.079 0.000 3/27216 240.0 1.980 1.577 2.252 0.000 0.075 0.000 3/27216 250.0 1.896 1.515 2.155 0.000 0.071 0.000 3/27216 260.0 1.820 1.458 2.067 0.000 0.068 0.000 3/27216 270.0 1.749 1.406 1.987 0.000 0.065 0.000 3/27216 280.0 1.684 1.358 1.912 0.000 0.062 0.000 3/27216 290.0 1.624 1.314 1.843 0.000 0.060 0.000 3/27216 300.0 1.569 1.273 1.779 0.000 0.058 0.000 3/27216 310.0 1.517 1.235 1.720 0.000 0.055 0.000 3/27216 320.0 1.468 1.200 1.664 0.000 0.054 0.000 3/27216 330.0 1.423 1.167 1.613 0.000 0.052 0.000 3/27216 340.0 1.381 1.136 1.564 0.000 0.050 0.000 3/27216 350.0 1.341 1.107 1.518 0.000 0.048 0.000 3/27216 360.0 1.303 1.080 1.475 0.000 0.047 0.000 3/27216 370.0 1.268 1.054 1.435 0.000 0.045 0.000 3/27216 380.0 1.234 1.030 1.397 0.000 0.044 0.000 3/27216 390.0 1.202 1.007 1.360 0.000 0.043 0.000 3/27216 400.0 1.172 0.985 1.326 0.000 0.042 0.000 3/27216 410.0 1.144 0.964 1.293 0.000 0.040 0.000 3/27216 420.0 1.117 0.945 1.263 0.000 0.039 0.000 3/27216 430.0 1.091 0.926 1.233 0.000 0.038 0.000 3/27216 440.0 1.067 0.908 1.205 0.000 0.037 0.000 3/27216 450.0 1.043 0.890 1.178 0.000 0.036 0.000 3/27216 460.0 1.021 0.874 1.153 0.000 0.036 0.000 3/27216 470.0 0.999 0.858 1.128 0.000 0.035 0.000 3/27216 480.0 0.979 0.843 1.105 0.000 0.034 0.000 3/27216 490.0 0.959 0.828 1.083 0.000 0.033 0.000 3/27216 500.0 0.941 0.814 1.061 0.000 0.032 0.000 3/27216 510.0 0.923 0.801 1.041 0.000 0.032 0.000 3/27216 520.0 0.905 0.788 1.021 0.000 0.031 0.000 3/27216 530.0 0.889 0.775 1.002 0.000 0.030 0.000 3/27216 540.0 0.873 0.763 0.983 0.000 0.030 0.000 3/27216 550.0 0.857 0.751 0.966 0.000 0.029 0.000 3/27216 560.0 0.842 0.740 0.949 0.000 0.029 0.000 3/27216 570.0 0.828 0.729 0.933 0.000 0.028 0.000 3/27216 580.0 0.814 0.718 0.917 0.000 0.027 0.000 3/27216 590.0 0.801 0.708 0.902 0.000 0.027 0.000 3/27216 600.0 0.788 0.698 0.887 0.000 0.026 0.000 3/27216 610.0 0.775 0.688 0.873 0.000 0.026 0.000 3/27216 620.0 0.763 0.679 0.859 0.000 0.025 0.000 3/27216 630.0 0.752 0.670 0.846 0.000 0.025 0.000 3/27216 640.0 0.740 0.661 0.833 0.000 0.024 0.000 3/27216 650.0 0.730 0.652 0.820 0.000 0.024 0.000 3/27216 660.0 0.719 0.644 0.808 0.000 0.024 0.000 3/27216 670.0 0.709 0.636 0.796 0.000 0.023 0.000 3/27216 680.0 0.699 0.628 0.785 0.000 0.023 0.000 3/27216 690.0 0.689 0.620 0.774 0.000 0.022 0.000 3/27216 700.0 0.680 0.612 0.763 0.000 0.022 0.000 3/27216 710.0 0.670 0.605 0.753 0.000 0.022 0.000 3/27216 720.0 0.662 0.598 0.743 0.000 0.021 0.000 3/27216 730.0 0.653 0.591 0.733 0.000 0.021 0.000 3/27216 740.0 0.645 0.584 0.723 0.000 0.021 0.000 3/27216 750.0 0.636 0.578 0.714 0.000 0.020 0.000 3/27216 760.0 0.628 0.571 0.705 0.000 0.020 0.000 3/27216 770.0 0.621 0.565 0.696 0.000 0.020 0.000 3/27216 780.0 0.613 0.559 0.688 0.000 0.020 0.000 3/27216 790.0 0.606 0.553 0.679 0.000 0.019 0.000 3/27216 800.0 0.599 0.547 0.671 0.000 0.019 0.000 3/27216 810.0 0.592 0.541 0.663 0.000 0.019 0.000 3/27216 820.0 0.585 0.536 0.655 0.000 0.018 0.000 3/27216 830.0 0.578 0.530 0.648 0.000 0.018 0.000 3/27216 840.0 0.572 0.525 0.640 0.000 0.018 0.000 3/27216 850.0 0.565 0.519 0.633 0.000 0.018 0.000 3/27216 860.0 0.559 0.514 0.626 0.000 0.017 0.000 3/27216 870.0 0.553 0.509 0.619 0.000 0.017 0.000 3/27216 880.0 0.547 0.504 0.612 0.000 0.017 0.000 3/27216 890.0 0.542 0.500 0.606 0.000 0.017 0.000 3/27216 900.0 0.536 0.495 0.599 0.000 0.017 0.000 3/27216 910.0 0.530 0.490 0.593 0.000 0.016 0.000 3/27216 920.0 0.525 0.486 0.587 0.000 0.016 0.000 3/27216 930.0 0.520 0.481 0.581 0.000 0.016 0.000 3/27216 940.0 0.514 0.477 0.575 0.000 0.016 0.000 3/27216 950.0 0.509 0.473 0.569 0.000 0.015 0.000 3/27216 960.0 0.504 0.468 0.564 0.000 0.015 0.000 3/27216 970.0 0.500 0.464 0.558 0.000 0.015 0.000 3/27216 980.0 0.495 0.460 0.553 0.000 0.015 0.000 3/27216 990.0 0.490 0.456 0.547 0.000 0.015 0.000 3/27216 1000.0 0.486 0.453 0.542 0.000 0.015 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m967.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:33:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|