----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:52:48]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.034313655498496 0.000000000000000 0.000000000000000 b 0.000000000000000 8.334676799999999 0.000000000000000 c -1.804907365803235 0.000000000000000 6.449180370738894 Atomic positions (fractional): *1 Na 0.27091959425441 0.13304260122585 0.98463312428804 22.990 2 Na 0.72908040574559 0.63304260122585 0.51536687571196 22.990 3 Na 0.72908040574559 0.86695739877415 0.01536687571196 22.990 4 Na 0.27091959425441 0.36695739877415 0.48463312428804 22.990 *5 Se 0.98146121135265 0.57866348157416 0.21572354422381 78.960 6 Se 0.01853878864735 0.07866348157416 0.28427645577619 78.960 7 Se 0.01853878864735 0.42133651842585 0.78427645577619 78.960 8 Se 0.98146121135265 0.92133651842584 0.71572354422381 78.960 *9 Se 0.41323251007535 0.83408606070640 0.25186499034610 78.960 10 Se 0.58676748992465 0.33408606070640 0.24813500965390 78.960 11 Se 0.58676748992465 0.16591393929360 0.74813500965390 78.960 12 Se 0.41323251007535 0.66591393929360 0.75186499034610 78.960 *13 Au 0.21652683829731 0.86864643397542 0.50951404192776 196.967 14 Au 0.78347316170269 0.36864643397542 0.99048595807224 196.967 15 Au 0.78347316170269 0.13135356602458 0.49048595807224 196.967 16 Au 0.21652683829731 0.63135356602458 0.00951404192776 196.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.034313655498496 0.000000000000000 0.000000000000000 b 0.000000000000000 8.334676799999999 0.000000000000000 c -1.804907365803235 0.000000000000000 6.449180370738894 Atomic positions (fractional): *1 Na 0.27091959425441 0.13304260122585 0.98463312428804 22.990 > 1 2 Na 0.72908040574559 0.63304260122585 0.51536687571196 22.990 > 2 3 Na 0.72908040574559 0.86695739877415 0.01536687571196 22.990 > 3 4 Na 0.27091959425441 0.36695739877415 0.48463312428804 22.990 > 4 *5 Se 0.98146121135265 0.57866348157416 0.21572354422381 78.960 > 5 6 Se 0.01853878864735 0.07866348157416 0.28427645577619 78.960 > 6 7 Se 0.01853878864735 0.42133651842585 0.78427645577619 78.960 > 7 8 Se 0.98146121135265 0.92133651842584 0.71572354422381 78.960 > 8 *9 Se 0.41323251007535 0.83408606070640 0.25186499034610 78.960 > 9 10 Se 0.58676748992465 0.33408606070640 0.24813500965390 78.960 > 10 11 Se 0.58676748992465 0.16591393929360 0.74813500965390 78.960 > 11 12 Se 0.41323251007535 0.66591393929360 0.75186499034610 78.960 > 12 *13 Au 0.21652683829731 0.86864643397542 0.50951404192776 196.967 > 13 14 Au 0.78347316170269 0.36864643397542 0.99048595807224 196.967 > 14 15 Au 0.78347316170269 0.13135356602458 0.49048595807224 196.967 > 15 16 Au 0.21652683829731 0.63135356602458 0.00951404192776 196.967 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.068627310996993 0.000000000000000 0.000000000000000 b 0.000000000000000 16.669353599999997 0.000000000000000 c -3.609814731606470 0.000000000000000 12.898360741477788 Atomic positions (fractional): *1 Na 0.13545979712720 0.06652130061293 0.49231656214402 22.990 > 1 2 Na 0.63545979712720 0.06652130061293 0.49231656214402 22.990 > 1 3 Na 0.13545979712720 0.56652130061293 0.49231656214402 22.990 > 1 4 Na 0.63545979712720 0.56652130061293 0.49231656214402 22.990 > 1 5 Na 0.13545979712720 0.06652130061293 0.99231656214402 22.990 > 1 6 Na 0.63545979712720 0.06652130061293 0.99231656214402 22.990 > 1 7 Na 0.13545979712720 0.56652130061293 0.99231656214402 22.990 > 1 8 Na 0.63545979712720 0.56652130061293 0.99231656214402 22.990 > 1 9 Na 0.36454020287280 0.31652130061293 0.25768343785598 22.990 > 2 10 Na 0.86454020287280 0.31652130061293 0.25768343785598 22.990 > 2 11 Na 0.36454020287280 0.81652130061293 0.25768343785598 22.990 > 2 12 Na 0.86454020287280 0.81652130061293 0.25768343785598 22.990 > 2 13 Na 0.36454020287280 0.31652130061293 0.75768343785598 22.990 > 2 14 Na 0.86454020287280 0.31652130061293 0.75768343785598 22.990 > 2 15 Na 0.36454020287280 0.81652130061293 0.75768343785598 22.990 > 2 16 Na 0.86454020287280 0.81652130061293 0.75768343785598 22.990 > 2 17 Na 0.36454020287280 0.43347869938707 0.00768343785598 22.990 > 3 18 Na 0.86454020287280 0.43347869938707 0.00768343785598 22.990 > 3 19 Na 0.36454020287280 0.93347869938707 0.00768343785598 22.990 > 3 20 Na 0.86454020287280 0.93347869938707 0.00768343785598 22.990 > 3 21 Na 0.36454020287280 0.43347869938707 0.50768343785598 22.990 > 3 22 Na 0.86454020287280 0.43347869938707 0.50768343785598 22.990 > 3 23 Na 0.36454020287280 0.93347869938707 0.50768343785598 22.990 > 3 24 Na 0.86454020287280 0.93347869938707 0.50768343785598 22.990 > 3 25 Na 0.13545979712720 0.18347869938707 0.24231656214402 22.990 > 4 26 Na 0.63545979712720 0.18347869938707 0.24231656214402 22.990 > 4 27 Na 0.13545979712720 0.68347869938707 0.24231656214402 22.990 > 4 28 Na 0.63545979712720 0.68347869938707 0.24231656214402 22.990 > 4 29 Na 0.13545979712720 0.18347869938707 0.74231656214402 22.990 > 4 30 Na 0.63545979712720 0.18347869938707 0.74231656214402 22.990 > 4 31 Na 0.13545979712720 0.68347869938707 0.74231656214402 22.990 > 4 32 Na 0.63545979712720 0.68347869938707 0.74231656214402 22.990 > 4 *33 Se 0.49073060567632 0.28933174078708 0.10786177211190 78.960 > 5 34 Se 0.99073060567632 0.28933174078708 0.10786177211190 78.960 > 5 35 Se 0.49073060567632 0.78933174078708 0.10786177211190 78.960 > 5 36 Se 0.99073060567632 0.78933174078708 0.10786177211190 78.960 > 5 37 Se 0.49073060567632 0.28933174078708 0.60786177211190 78.960 > 5 38 Se 0.99073060567632 0.28933174078708 0.60786177211190 78.960 > 5 39 Se 0.49073060567632 0.78933174078708 0.60786177211190 78.960 > 5 40 Se 0.99073060567632 0.78933174078708 0.60786177211190 78.960 > 5 41 Se 0.00926939432368 0.03933174078708 0.14213822788810 78.960 > 6 42 Se 0.50926939432368 0.03933174078708 0.14213822788810 78.960 > 6 43 Se 0.00926939432368 0.53933174078708 0.14213822788810 78.960 > 6 44 Se 0.50926939432368 0.53933174078708 0.14213822788810 78.960 > 6 45 Se 0.00926939432368 0.03933174078708 0.64213822788810 78.960 > 6 46 Se 0.50926939432368 0.03933174078708 0.64213822788810 78.960 > 6 47 Se 0.00926939432368 0.53933174078708 0.64213822788810 78.960 > 6 48 Se 0.50926939432368 0.53933174078708 0.64213822788810 78.960 > 6 49 Se 0.00926939432368 0.21066825921292 0.39213822788810 78.960 > 7 50 Se 0.50926939432368 0.21066825921292 0.39213822788810 78.960 > 7 51 Se 0.00926939432368 0.71066825921292 0.39213822788810 78.960 > 7 52 Se 0.50926939432368 0.71066825921292 0.39213822788810 78.960 > 7 53 Se 0.00926939432368 0.21066825921292 0.89213822788810 78.960 > 7 54 Se 0.50926939432368 0.21066825921292 0.89213822788810 78.960 > 7 55 Se 0.00926939432368 0.71066825921292 0.89213822788810 78.960 > 7 56 Se 0.50926939432368 0.71066825921292 0.89213822788810 78.960 > 7 57 Se 0.49073060567632 0.46066825921292 0.35786177211190 78.960 > 8 58 Se 0.99073060567632 0.46066825921292 0.35786177211190 78.960 > 8 59 Se 0.49073060567632 0.96066825921292 0.35786177211190 78.960 > 8 60 Se 0.99073060567632 0.96066825921292 0.35786177211190 78.960 > 8 61 Se 0.49073060567632 0.46066825921292 0.85786177211190 78.960 > 8 62 Se 0.99073060567632 0.46066825921292 0.85786177211190 78.960 > 8 63 Se 0.49073060567632 0.96066825921292 0.85786177211190 78.960 > 8 64 Se 0.99073060567632 0.96066825921292 0.85786177211190 78.960 > 8 *65 Se 0.20661625503767 0.41704303035320 0.12593249517305 78.960 > 9 66 Se 0.70661625503767 0.41704303035320 0.12593249517305 78.960 > 9 67 Se 0.20661625503767 0.91704303035320 0.12593249517305 78.960 > 9 68 Se 0.70661625503767 0.91704303035320 0.12593249517305 78.960 > 9 69 Se 0.20661625503767 0.41704303035320 0.62593249517305 78.960 > 9 70 Se 0.70661625503767 0.41704303035320 0.62593249517305 78.960 > 9 71 Se 0.20661625503767 0.91704303035320 0.62593249517305 78.960 > 9 72 Se 0.70661625503767 0.91704303035320 0.62593249517305 78.960 > 9 73 Se 0.29338374496233 0.16704303035320 0.12406750482695 78.960 > 10 74 Se 0.79338374496233 0.16704303035320 0.12406750482695 78.960 > 10 75 Se 0.29338374496233 0.66704303035320 0.12406750482695 78.960 > 10 76 Se 0.79338374496233 0.66704303035320 0.12406750482695 78.960 > 10 77 Se 0.29338374496233 0.16704303035320 0.62406750482695 78.960 > 10 78 Se 0.79338374496233 0.16704303035320 0.62406750482695 78.960 > 10 79 Se 0.29338374496233 0.66704303035320 0.62406750482695 78.960 > 10 80 Se 0.79338374496233 0.66704303035320 0.62406750482695 78.960 > 10 81 Se 0.29338374496233 0.08295696964680 0.37406750482695 78.960 > 11 82 Se 0.79338374496233 0.08295696964680 0.37406750482695 78.960 > 11 83 Se 0.29338374496233 0.58295696964680 0.37406750482695 78.960 > 11 84 Se 0.79338374496233 0.58295696964680 0.37406750482695 78.960 > 11 85 Se 0.29338374496233 0.08295696964680 0.87406750482695 78.960 > 11 86 Se 0.79338374496233 0.08295696964680 0.87406750482695 78.960 > 11 87 Se 0.29338374496233 0.58295696964680 0.87406750482695 78.960 > 11 88 Se 0.79338374496233 0.58295696964680 0.87406750482695 78.960 > 11 89 Se 0.20661625503767 0.33295696964680 0.37593249517305 78.960 > 12 90 Se 0.70661625503767 0.33295696964680 0.37593249517305 78.960 > 12 91 Se 0.20661625503767 0.83295696964680 0.37593249517305 78.960 > 12 92 Se 0.70661625503767 0.83295696964680 0.37593249517305 78.960 > 12 93 Se 0.20661625503767 0.33295696964680 0.87593249517305 78.960 > 12 94 Se 0.70661625503767 0.33295696964680 0.87593249517305 78.960 > 12 95 Se 0.20661625503767 0.83295696964680 0.87593249517305 78.960 > 12 96 Se 0.70661625503767 0.83295696964680 0.87593249517305 78.960 > 12 *97 Au 0.10826341914866 0.43432321698771 0.25475702096388 196.967 > 13 98 Au 0.60826341914866 0.43432321698771 0.25475702096388 196.967 > 13 99 Au 0.10826341914866 0.93432321698771 0.25475702096388 196.967 > 13 100 Au 0.60826341914866 0.93432321698771 0.25475702096388 196.967 > 13 101 Au 0.10826341914866 0.43432321698771 0.75475702096388 196.967 > 13 102 Au 0.60826341914866 0.43432321698771 0.75475702096388 196.967 > 13 103 Au 0.10826341914866 0.93432321698771 0.75475702096388 196.967 > 13 104 Au 0.60826341914866 0.93432321698771 0.75475702096388 196.967 > 13 105 Au 0.39173658085134 0.18432321698771 0.49524297903612 196.967 > 14 106 Au 0.89173658085134 0.18432321698771 0.49524297903612 196.967 > 14 107 Au 0.39173658085134 0.68432321698771 0.49524297903612 196.967 > 14 108 Au 0.89173658085134 0.68432321698771 0.49524297903612 196.967 > 14 109 Au 0.39173658085134 0.18432321698771 0.99524297903612 196.967 > 14 110 Au 0.89173658085134 0.18432321698771 0.99524297903612 196.967 > 14 111 Au 0.39173658085134 0.68432321698771 0.99524297903612 196.967 > 14 112 Au 0.89173658085134 0.68432321698771 0.99524297903612 196.967 > 14 113 Au 0.39173658085134 0.06567678301229 0.24524297903612 196.967 > 15 114 Au 0.89173658085134 0.06567678301229 0.24524297903612 196.967 > 15 115 Au 0.39173658085134 0.56567678301229 0.24524297903612 196.967 > 15 116 Au 0.89173658085134 0.56567678301229 0.24524297903612 196.967 > 15 117 Au 0.39173658085134 0.06567678301229 0.74524297903612 196.967 > 15 118 Au 0.89173658085134 0.06567678301229 0.74524297903612 196.967 > 15 119 Au 0.39173658085134 0.56567678301229 0.74524297903612 196.967 > 15 120 Au 0.89173658085134 0.56567678301229 0.74524297903612 196.967 > 15 121 Au 0.10826341914866 0.31567678301229 0.00475702096388 196.967 > 16 122 Au 0.60826341914866 0.31567678301229 0.00475702096388 196.967 > 16 123 Au 0.10826341914866 0.81567678301229 0.00475702096388 196.967 > 16 124 Au 0.60826341914866 0.81567678301229 0.00475702096388 196.967 > 16 125 Au 0.10826341914866 0.31567678301229 0.50475702096388 196.967 > 16 126 Au 0.60826341914866 0.31567678301229 0.50475702096388 196.967 > 16 127 Au 0.10826341914866 0.81567678301229 0.50475702096388 196.967 > 16 128 Au 0.60826341914866 0.81567678301229 0.50475702096388 196.967 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4989781 0.0000000 -0.9469429 0.0000000 10.4537022 0.0000000 -0.9469414 0.0000000 10.4799396 -------------------------- Born effective charges -------------------------- 1 Na 1.5795493 0.4415949 -0.1489154 -0.0296508 1.1263323 -0.1571170 -0.1995617 0.1645572 1.2801060 2 Na 1.5795493 -0.4415949 -0.1489154 0.0296508 1.1263323 0.1571170 -0.1995617 -0.1645572 1.2801060 3 Na 1.5795493 0.4415949 -0.1489154 -0.0296508 1.1263323 -0.1571170 -0.1995617 0.1645572 1.2801060 4 Na 1.5795493 -0.4415949 -0.1489154 0.0296508 1.1263323 0.1571170 -0.1995617 -0.1645572 1.2801060 5 Se -0.6308038 0.2479916 0.0173432 0.1311074 -0.3292816 0.2720678 0.2343243 0.0014044 -0.7541796 6 Se -0.6308038 -0.2479916 0.0173432 -0.1311074 -0.3292816 -0.2720678 0.2343243 -0.0014044 -0.7541796 7 Se -0.6308038 0.2479916 0.0173432 0.1311074 -0.3292816 0.2720678 0.2343243 0.0014044 -0.7541796 8 Se -0.6308038 -0.2479916 0.0173432 -0.1311074 -0.3292816 -0.2720678 0.2343243 -0.0014044 -0.7541796 9 Se -1.3068175 -0.1247832 0.0689442 0.3634878 -1.1653602 -0.7367408 -0.0094494 -0.2415069 -0.8197813 10 Se -1.3068175 0.1247832 0.0689442 -0.3634878 -1.1653602 0.7367408 -0.0094494 0.2415069 -0.8197813 11 Se -1.3068175 -0.1247832 0.0689442 0.3634878 -1.1653602 -0.7367408 -0.0094494 -0.2415069 -0.8197813 12 Se -1.3068175 0.1247832 0.0689442 -0.3634878 -1.1653602 0.7367408 -0.0094494 0.2415069 -0.8197813 13 Au 0.3580719 -0.5641462 0.0626279 -1.0226319 0.3683094 -0.4871779 -0.0253132 -0.5300975 0.2938548 14 Au 0.3580719 0.5641462 0.0626279 1.0226319 0.3683094 0.4871779 -0.0253132 0.5300975 0.2938548 15 Au 0.3580719 -0.5641462 0.0626279 -1.0226319 0.3683094 -0.4871779 -0.0253132 -0.5300975 0.2938548 16 Au 0.3580719 0.5641462 0.0626279 1.0226319 0.3683094 0.4871779 -0.0253132 0.5300975 0.2938548 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 1.102 Solver_block: 200 / 480 - Time: 1.053 Solver_block: 300 / 480 - Time: 1.001 Solver_block: 400 / 480 - Time: 0.922 Solver_block: 480 / 480 - Time: 0.730 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.055 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), 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 07:53:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:53:27]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.034313655498496 0.000000000000000 0.000000000000000 b 0.000000000000000 8.334676799999999 0.000000000000000 c -1.804907365803235 0.000000000000000 6.449180370738894 Atomic positions (fractional): 1 Na 0.27091959425441 0.13304260122585 0.98463312428804 22.990 2 Na 0.72908040574559 0.63304260122585 0.51536687571196 22.990 3 Na 0.72908040574559 0.86695739877415 0.01536687571196 22.990 4 Na 0.27091959425441 0.36695739877415 0.48463312428804 22.990 5 Se 0.98146121135265 0.57866348157416 0.21572354422381 78.960 6 Se 0.01853878864735 0.07866348157416 0.28427645577619 78.960 7 Se 0.01853878864735 0.42133651842585 0.78427645577619 78.960 8 Se 0.98146121135265 0.92133651842584 0.71572354422381 78.960 9 Se 0.41323251007535 0.83408606070640 0.25186499034610 78.960 10 Se 0.58676748992465 0.33408606070640 0.24813500965390 78.960 11 Se 0.58676748992465 0.16591393929360 0.74813500965390 78.960 12 Se 0.41323251007535 0.66591393929360 0.75186499034610 78.960 13 Au 0.21652683829731 0.86864643397542 0.50951404192776 196.967 14 Au 0.78347316170269 0.36864643397542 0.99048595807224 196.967 15 Au 0.78347316170269 0.13135356602458 0.49048595807224 196.967 16 Au 0.21652683829731 0.63135356602458 0.00951404192776 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.068627310996993 0.000000000000000 0.000000000000000 b 0.000000000000000 16.669353599999997 0.000000000000000 c -3.609814731606470 0.000000000000000 12.898360741477788 Atomic positions (fractional): 1 Na 0.13545979712720 0.06652130061293 0.49231656214402 22.990 > 1 2 Na 0.63545979712720 0.06652130061293 0.49231656214402 22.990 > 1 3 Na 0.13545979712720 0.56652130061293 0.49231656214402 22.990 > 1 4 Na 0.63545979712720 0.56652130061293 0.49231656214402 22.990 > 1 5 Na 0.13545979712720 0.06652130061293 0.99231656214402 22.990 > 1 6 Na 0.63545979712720 0.06652130061293 0.99231656214402 22.990 > 1 7 Na 0.13545979712720 0.56652130061293 0.99231656214402 22.990 > 1 8 Na 0.63545979712720 0.56652130061293 0.99231656214402 22.990 > 1 9 Na 0.36454020287280 0.31652130061293 0.25768343785598 22.990 > 9 10 Na 0.86454020287280 0.31652130061293 0.25768343785598 22.990 > 9 11 Na 0.36454020287280 0.81652130061293 0.25768343785598 22.990 > 9 12 Na 0.86454020287280 0.81652130061293 0.25768343785598 22.990 > 9 13 Na 0.36454020287280 0.31652130061293 0.75768343785598 22.990 > 9 14 Na 0.86454020287280 0.31652130061293 0.75768343785598 22.990 > 9 15 Na 0.36454020287280 0.81652130061293 0.75768343785598 22.990 > 9 16 Na 0.86454020287280 0.81652130061293 0.75768343785598 22.990 > 9 17 Na 0.36454020287280 0.43347869938707 0.00768343785598 22.990 > 17 18 Na 0.86454020287280 0.43347869938707 0.00768343785598 22.990 > 17 19 Na 0.36454020287280 0.93347869938707 0.00768343785598 22.990 > 17 20 Na 0.86454020287280 0.93347869938707 0.00768343785598 22.990 > 17 21 Na 0.36454020287280 0.43347869938707 0.50768343785598 22.990 > 17 22 Na 0.86454020287280 0.43347869938707 0.50768343785598 22.990 > 17 23 Na 0.36454020287280 0.93347869938707 0.50768343785598 22.990 > 17 24 Na 0.86454020287280 0.93347869938707 0.50768343785598 22.990 > 17 25 Na 0.13545979712720 0.18347869938707 0.24231656214402 22.990 > 25 26 Na 0.63545979712720 0.18347869938707 0.24231656214402 22.990 > 25 27 Na 0.13545979712720 0.68347869938707 0.24231656214402 22.990 > 25 28 Na 0.63545979712720 0.68347869938707 0.24231656214402 22.990 > 25 29 Na 0.13545979712720 0.18347869938707 0.74231656214402 22.990 > 25 30 Na 0.63545979712720 0.18347869938707 0.74231656214402 22.990 > 25 31 Na 0.13545979712720 0.68347869938707 0.74231656214402 22.990 > 25 32 Na 0.63545979712720 0.68347869938707 0.74231656214402 22.990 > 25 33 Se 0.49073060567632 0.28933174078708 0.10786177211190 78.960 > 33 34 Se 0.99073060567632 0.28933174078708 0.10786177211190 78.960 > 33 35 Se 0.49073060567632 0.78933174078708 0.10786177211190 78.960 > 33 36 Se 0.99073060567632 0.78933174078708 0.10786177211190 78.960 > 33 37 Se 0.49073060567632 0.28933174078708 0.60786177211190 78.960 > 33 38 Se 0.99073060567632 0.28933174078708 0.60786177211190 78.960 > 33 39 Se 0.49073060567632 0.78933174078708 0.60786177211190 78.960 > 33 40 Se 0.99073060567632 0.78933174078708 0.60786177211190 78.960 > 33 41 Se 0.00926939432368 0.03933174078708 0.14213822788810 78.960 > 41 42 Se 0.50926939432368 0.03933174078708 0.14213822788810 78.960 > 41 43 Se 0.00926939432368 0.53933174078708 0.14213822788810 78.960 > 41 44 Se 0.50926939432368 0.53933174078708 0.14213822788810 78.960 > 41 45 Se 0.00926939432368 0.03933174078708 0.64213822788810 78.960 > 41 46 Se 0.50926939432368 0.03933174078708 0.64213822788810 78.960 > 41 47 Se 0.00926939432368 0.53933174078708 0.64213822788810 78.960 > 41 48 Se 0.50926939432368 0.53933174078708 0.64213822788810 78.960 > 41 49 Se 0.00926939432368 0.21066825921292 0.39213822788810 78.960 > 49 50 Se 0.50926939432368 0.21066825921292 0.39213822788810 78.960 > 49 51 Se 0.00926939432368 0.71066825921292 0.39213822788810 78.960 > 49 52 Se 0.50926939432368 0.71066825921292 0.39213822788810 78.960 > 49 53 Se 0.00926939432368 0.21066825921292 0.89213822788810 78.960 > 49 54 Se 0.50926939432368 0.21066825921292 0.89213822788810 78.960 > 49 55 Se 0.00926939432368 0.71066825921292 0.89213822788810 78.960 > 49 56 Se 0.50926939432368 0.71066825921292 0.89213822788810 78.960 > 49 57 Se 0.49073060567632 0.46066825921292 0.35786177211190 78.960 > 57 58 Se 0.99073060567632 0.46066825921292 0.35786177211190 78.960 > 57 59 Se 0.49073060567632 0.96066825921292 0.35786177211190 78.960 > 57 60 Se 0.99073060567632 0.96066825921292 0.35786177211190 78.960 > 57 61 Se 0.49073060567632 0.46066825921292 0.85786177211190 78.960 > 57 62 Se 0.99073060567632 0.46066825921292 0.85786177211190 78.960 > 57 63 Se 0.49073060567632 0.96066825921292 0.85786177211190 78.960 > 57 64 Se 0.99073060567632 0.96066825921292 0.85786177211190 78.960 > 57 65 Se 0.20661625503767 0.41704303035320 0.12593249517305 78.960 > 65 66 Se 0.70661625503767 0.41704303035320 0.12593249517305 78.960 > 65 67 Se 0.20661625503767 0.91704303035320 0.12593249517305 78.960 > 65 68 Se 0.70661625503767 0.91704303035320 0.12593249517305 78.960 > 65 69 Se 0.20661625503767 0.41704303035320 0.62593249517305 78.960 > 65 70 Se 0.70661625503767 0.41704303035320 0.62593249517305 78.960 > 65 71 Se 0.20661625503767 0.91704303035320 0.62593249517305 78.960 > 65 72 Se 0.70661625503767 0.91704303035320 0.62593249517305 78.960 > 65 73 Se 0.29338374496233 0.16704303035320 0.12406750482695 78.960 > 73 74 Se 0.79338374496233 0.16704303035320 0.12406750482695 78.960 > 73 75 Se 0.29338374496233 0.66704303035320 0.12406750482695 78.960 > 73 76 Se 0.79338374496233 0.66704303035320 0.12406750482695 78.960 > 73 77 Se 0.29338374496233 0.16704303035320 0.62406750482695 78.960 > 73 78 Se 0.79338374496233 0.16704303035320 0.62406750482695 78.960 > 73 79 Se 0.29338374496233 0.66704303035320 0.62406750482695 78.960 > 73 80 Se 0.79338374496233 0.66704303035320 0.62406750482695 78.960 > 73 81 Se 0.29338374496233 0.08295696964680 0.37406750482695 78.960 > 81 82 Se 0.79338374496233 0.08295696964680 0.37406750482695 78.960 > 81 83 Se 0.29338374496233 0.58295696964680 0.37406750482695 78.960 > 81 84 Se 0.79338374496233 0.58295696964680 0.37406750482695 78.960 > 81 85 Se 0.29338374496233 0.08295696964680 0.87406750482695 78.960 > 81 86 Se 0.79338374496233 0.08295696964680 0.87406750482695 78.960 > 81 87 Se 0.29338374496233 0.58295696964680 0.87406750482695 78.960 > 81 88 Se 0.79338374496233 0.58295696964680 0.87406750482695 78.960 > 81 89 Se 0.20661625503767 0.33295696964680 0.37593249517305 78.960 > 89 90 Se 0.70661625503767 0.33295696964680 0.37593249517305 78.960 > 89 91 Se 0.20661625503767 0.83295696964680 0.37593249517305 78.960 > 89 92 Se 0.70661625503767 0.83295696964680 0.37593249517305 78.960 > 89 93 Se 0.20661625503767 0.33295696964680 0.87593249517305 78.960 > 89 94 Se 0.70661625503767 0.33295696964680 0.87593249517305 78.960 > 89 95 Se 0.20661625503767 0.83295696964680 0.87593249517305 78.960 > 89 96 Se 0.70661625503767 0.83295696964680 0.87593249517305 78.960 > 89 97 Au 0.10826341914866 0.43432321698771 0.25475702096388 196.967 > 97 98 Au 0.60826341914866 0.43432321698771 0.25475702096388 196.967 > 97 99 Au 0.10826341914866 0.93432321698771 0.25475702096388 196.967 > 97 100 Au 0.60826341914866 0.93432321698771 0.25475702096388 196.967 > 97 101 Au 0.10826341914866 0.43432321698771 0.75475702096388 196.967 > 97 102 Au 0.60826341914866 0.43432321698771 0.75475702096388 196.967 > 97 103 Au 0.10826341914866 0.93432321698771 0.75475702096388 196.967 > 97 104 Au 0.60826341914866 0.93432321698771 0.75475702096388 196.967 > 97 105 Au 0.39173658085134 0.18432321698771 0.49524297903612 196.967 > 105 106 Au 0.89173658085134 0.18432321698771 0.49524297903612 196.967 > 105 107 Au 0.39173658085134 0.68432321698771 0.49524297903612 196.967 > 105 108 Au 0.89173658085134 0.68432321698771 0.49524297903612 196.967 > 105 109 Au 0.39173658085134 0.18432321698771 0.99524297903612 196.967 > 105 110 Au 0.89173658085134 0.18432321698771 0.99524297903612 196.967 > 105 111 Au 0.39173658085134 0.68432321698771 0.99524297903612 196.967 > 105 112 Au 0.89173658085134 0.68432321698771 0.99524297903612 196.967 > 105 113 Au 0.39173658085134 0.06567678301229 0.24524297903612 196.967 > 113 114 Au 0.89173658085134 0.06567678301229 0.24524297903612 196.967 > 113 115 Au 0.39173658085134 0.56567678301229 0.24524297903612 196.967 > 113 116 Au 0.89173658085134 0.56567678301229 0.24524297903612 196.967 > 113 117 Au 0.39173658085134 0.06567678301229 0.74524297903612 196.967 > 113 118 Au 0.89173658085134 0.06567678301229 0.74524297903612 196.967 > 113 119 Au 0.39173658085134 0.56567678301229 0.74524297903612 196.967 > 113 120 Au 0.89173658085134 0.56567678301229 0.74524297903612 196.967 > 113 121 Au 0.10826341914866 0.31567678301229 0.00475702096388 196.967 > 121 122 Au 0.60826341914866 0.31567678301229 0.00475702096388 196.967 > 121 123 Au 0.10826341914866 0.81567678301229 0.00475702096388 196.967 > 121 124 Au 0.60826341914866 0.81567678301229 0.00475702096388 196.967 > 121 125 Au 0.10826341914866 0.31567678301229 0.50475702096388 196.967 > 121 126 Au 0.60826341914866 0.31567678301229 0.50475702096388 196.967 > 121 127 Au 0.10826341914866 0.81567678301229 0.50475702096388 196.967 > 121 128 Au 0.60826341914866 0.81567678301229 0.50475702096388 196.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4989781 0.0000000 -0.9469429 0.0000000 10.4537022 0.0000000 -0.9469414 0.0000000 10.4799396 -------------------------- Born effective charges -------------------------- 1 Na 1.5795493 0.4415949 -0.1489154 -0.0296508 1.1263323 -0.1571170 -0.1995617 0.1645572 1.2801060 2 Na 1.5795493 -0.4415949 -0.1489154 0.0296508 1.1263323 0.1571170 -0.1995617 -0.1645572 1.2801060 3 Na 1.5795493 0.4415949 -0.1489154 -0.0296508 1.1263323 -0.1571170 -0.1995617 0.1645572 1.2801060 4 Na 1.5795493 -0.4415949 -0.1489154 0.0296508 1.1263323 0.1571170 -0.1995617 -0.1645572 1.2801060 5 Se -0.6308038 0.2479916 0.0173432 0.1311074 -0.3292816 0.2720678 0.2343243 0.0014044 -0.7541796 6 Se -0.6308038 -0.2479916 0.0173432 -0.1311074 -0.3292816 -0.2720678 0.2343243 -0.0014044 -0.7541796 7 Se -0.6308038 0.2479916 0.0173432 0.1311074 -0.3292816 0.2720678 0.2343243 0.0014044 -0.7541796 8 Se -0.6308038 -0.2479916 0.0173432 -0.1311074 -0.3292816 -0.2720678 0.2343243 -0.0014044 -0.7541796 9 Se -1.3068175 -0.1247832 0.0689442 0.3634878 -1.1653602 -0.7367408 -0.0094494 -0.2415069 -0.8197813 10 Se -1.3068175 0.1247832 0.0689442 -0.3634878 -1.1653602 0.7367408 -0.0094494 0.2415069 -0.8197813 11 Se -1.3068175 -0.1247832 0.0689442 0.3634878 -1.1653602 -0.7367408 -0.0094494 -0.2415069 -0.8197813 12 Se -1.3068175 0.1247832 0.0689442 -0.3634878 -1.1653602 0.7367408 -0.0094494 0.2415069 -0.8197813 13 Au 0.3580719 -0.5641462 0.0626279 -1.0226319 0.3683094 -0.4871779 -0.0253132 -0.5300975 0.2938548 14 Au 0.3580719 0.5641462 0.0626279 1.0226319 0.3683094 0.4871779 -0.0253132 0.5300975 0.2938548 15 Au 0.3580719 -0.5641462 0.0626279 -1.0226319 0.3683094 -0.4871779 -0.0253132 -0.5300975 0.2938548 16 Au 0.3580719 0.5641462 0.0626279 1.0226319 0.3683094 0.4871779 -0.0253132 0.5300975 0.2938548 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 97, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yz) -0.00000002 (yz) 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 07:53:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:53:52]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.034313655498496 0.000000000000000 0.000000000000000 b 0.000000000000000 8.334676799999999 0.000000000000000 c -1.804907365803235 0.000000000000000 6.449180370738894 Atomic positions (fractional): 1 Na 0.27091959425441 0.13304260122585 0.98463312428804 22.990 2 Na 0.72908040574559 0.63304260122585 0.51536687571196 22.990 3 Na 0.72908040574559 0.86695739877415 0.01536687571196 22.990 4 Na 0.27091959425441 0.36695739877415 0.48463312428804 22.990 5 Se 0.98146121135265 0.57866348157416 0.21572354422381 78.960 6 Se 0.01853878864735 0.07866348157416 0.28427645577619 78.960 7 Se 0.01853878864735 0.42133651842585 0.78427645577619 78.960 8 Se 0.98146121135265 0.92133651842584 0.71572354422381 78.960 9 Se 0.41323251007535 0.83408606070640 0.25186499034610 78.960 10 Se 0.58676748992465 0.33408606070640 0.24813500965390 78.960 11 Se 0.58676748992465 0.16591393929360 0.74813500965390 78.960 12 Se 0.41323251007535 0.66591393929360 0.75186499034610 78.960 13 Au 0.21652683829731 0.86864643397542 0.50951404192776 196.967 14 Au 0.78347316170269 0.36864643397542 0.99048595807224 196.967 15 Au 0.78347316170269 0.13135356602458 0.49048595807224 196.967 16 Au 0.21652683829731 0.63135356602458 0.00951404192776 196.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.068627310996993 0.000000000000000 0.000000000000000 b 0.000000000000000 16.669353599999997 0.000000000000000 c -3.609814731606470 0.000000000000000 12.898360741477788 Atomic positions (fractional): 1 Na 0.13545979712720 0.06652130061293 0.49231656214402 22.990 > 1 2 Na 0.63545979712720 0.06652130061293 0.49231656214402 22.990 > 1 3 Na 0.13545979712720 0.56652130061293 0.49231656214402 22.990 > 1 4 Na 0.63545979712720 0.56652130061293 0.49231656214402 22.990 > 1 5 Na 0.13545979712720 0.06652130061293 0.99231656214402 22.990 > 1 6 Na 0.63545979712720 0.06652130061293 0.99231656214402 22.990 > 1 7 Na 0.13545979712720 0.56652130061293 0.99231656214402 22.990 > 1 8 Na 0.63545979712720 0.56652130061293 0.99231656214402 22.990 > 1 9 Na 0.36454020287280 0.31652130061293 0.25768343785598 22.990 > 9 10 Na 0.86454020287280 0.31652130061293 0.25768343785598 22.990 > 9 11 Na 0.36454020287280 0.81652130061293 0.25768343785598 22.990 > 9 12 Na 0.86454020287280 0.81652130061293 0.25768343785598 22.990 > 9 13 Na 0.36454020287280 0.31652130061293 0.75768343785598 22.990 > 9 14 Na 0.86454020287280 0.31652130061293 0.75768343785598 22.990 > 9 15 Na 0.36454020287280 0.81652130061293 0.75768343785598 22.990 > 9 16 Na 0.86454020287280 0.81652130061293 0.75768343785598 22.990 > 9 17 Na 0.36454020287280 0.43347869938707 0.00768343785598 22.990 > 17 18 Na 0.86454020287280 0.43347869938707 0.00768343785598 22.990 > 17 19 Na 0.36454020287280 0.93347869938707 0.00768343785598 22.990 > 17 20 Na 0.86454020287280 0.93347869938707 0.00768343785598 22.990 > 17 21 Na 0.36454020287280 0.43347869938707 0.50768343785598 22.990 > 17 22 Na 0.86454020287280 0.43347869938707 0.50768343785598 22.990 > 17 23 Na 0.36454020287280 0.93347869938707 0.50768343785598 22.990 > 17 24 Na 0.86454020287280 0.93347869938707 0.50768343785598 22.990 > 17 25 Na 0.13545979712720 0.18347869938707 0.24231656214402 22.990 > 25 26 Na 0.63545979712720 0.18347869938707 0.24231656214402 22.990 > 25 27 Na 0.13545979712720 0.68347869938707 0.24231656214402 22.990 > 25 28 Na 0.63545979712720 0.68347869938707 0.24231656214402 22.990 > 25 29 Na 0.13545979712720 0.18347869938707 0.74231656214402 22.990 > 25 30 Na 0.63545979712720 0.18347869938707 0.74231656214402 22.990 > 25 31 Na 0.13545979712720 0.68347869938707 0.74231656214402 22.990 > 25 32 Na 0.63545979712720 0.68347869938707 0.74231656214402 22.990 > 25 33 Se 0.49073060567632 0.28933174078708 0.10786177211190 78.960 > 33 34 Se 0.99073060567632 0.28933174078708 0.10786177211190 78.960 > 33 35 Se 0.49073060567632 0.78933174078708 0.10786177211190 78.960 > 33 36 Se 0.99073060567632 0.78933174078708 0.10786177211190 78.960 > 33 37 Se 0.49073060567632 0.28933174078708 0.60786177211190 78.960 > 33 38 Se 0.99073060567632 0.28933174078708 0.60786177211190 78.960 > 33 39 Se 0.49073060567632 0.78933174078708 0.60786177211190 78.960 > 33 40 Se 0.99073060567632 0.78933174078708 0.60786177211190 78.960 > 33 41 Se 0.00926939432368 0.03933174078708 0.14213822788810 78.960 > 41 42 Se 0.50926939432368 0.03933174078708 0.14213822788810 78.960 > 41 43 Se 0.00926939432368 0.53933174078708 0.14213822788810 78.960 > 41 44 Se 0.50926939432368 0.53933174078708 0.14213822788810 78.960 > 41 45 Se 0.00926939432368 0.03933174078708 0.64213822788810 78.960 > 41 46 Se 0.50926939432368 0.03933174078708 0.64213822788810 78.960 > 41 47 Se 0.00926939432368 0.53933174078708 0.64213822788810 78.960 > 41 48 Se 0.50926939432368 0.53933174078708 0.64213822788810 78.960 > 41 49 Se 0.00926939432368 0.21066825921292 0.39213822788810 78.960 > 49 50 Se 0.50926939432368 0.21066825921292 0.39213822788810 78.960 > 49 51 Se 0.00926939432368 0.71066825921292 0.39213822788810 78.960 > 49 52 Se 0.50926939432368 0.71066825921292 0.39213822788810 78.960 > 49 53 Se 0.00926939432368 0.21066825921292 0.89213822788810 78.960 > 49 54 Se 0.50926939432368 0.21066825921292 0.89213822788810 78.960 > 49 55 Se 0.00926939432368 0.71066825921292 0.89213822788810 78.960 > 49 56 Se 0.50926939432368 0.71066825921292 0.89213822788810 78.960 > 49 57 Se 0.49073060567632 0.46066825921292 0.35786177211190 78.960 > 57 58 Se 0.99073060567632 0.46066825921292 0.35786177211190 78.960 > 57 59 Se 0.49073060567632 0.96066825921292 0.35786177211190 78.960 > 57 60 Se 0.99073060567632 0.96066825921292 0.35786177211190 78.960 > 57 61 Se 0.49073060567632 0.46066825921292 0.85786177211190 78.960 > 57 62 Se 0.99073060567632 0.46066825921292 0.85786177211190 78.960 > 57 63 Se 0.49073060567632 0.96066825921292 0.85786177211190 78.960 > 57 64 Se 0.99073060567632 0.96066825921292 0.85786177211190 78.960 > 57 65 Se 0.20661625503767 0.41704303035320 0.12593249517305 78.960 > 65 66 Se 0.70661625503767 0.41704303035320 0.12593249517305 78.960 > 65 67 Se 0.20661625503767 0.91704303035320 0.12593249517305 78.960 > 65 68 Se 0.70661625503767 0.91704303035320 0.12593249517305 78.960 > 65 69 Se 0.20661625503767 0.41704303035320 0.62593249517305 78.960 > 65 70 Se 0.70661625503767 0.41704303035320 0.62593249517305 78.960 > 65 71 Se 0.20661625503767 0.91704303035320 0.62593249517305 78.960 > 65 72 Se 0.70661625503767 0.91704303035320 0.62593249517305 78.960 > 65 73 Se 0.29338374496233 0.16704303035320 0.12406750482695 78.960 > 73 74 Se 0.79338374496233 0.16704303035320 0.12406750482695 78.960 > 73 75 Se 0.29338374496233 0.66704303035320 0.12406750482695 78.960 > 73 76 Se 0.79338374496233 0.66704303035320 0.12406750482695 78.960 > 73 77 Se 0.29338374496233 0.16704303035320 0.62406750482695 78.960 > 73 78 Se 0.79338374496233 0.16704303035320 0.62406750482695 78.960 > 73 79 Se 0.29338374496233 0.66704303035320 0.62406750482695 78.960 > 73 80 Se 0.79338374496233 0.66704303035320 0.62406750482695 78.960 > 73 81 Se 0.29338374496233 0.08295696964680 0.37406750482695 78.960 > 81 82 Se 0.79338374496233 0.08295696964680 0.37406750482695 78.960 > 81 83 Se 0.29338374496233 0.58295696964680 0.37406750482695 78.960 > 81 84 Se 0.79338374496233 0.58295696964680 0.37406750482695 78.960 > 81 85 Se 0.29338374496233 0.08295696964680 0.87406750482695 78.960 > 81 86 Se 0.79338374496233 0.08295696964680 0.87406750482695 78.960 > 81 87 Se 0.29338374496233 0.58295696964680 0.87406750482695 78.960 > 81 88 Se 0.79338374496233 0.58295696964680 0.87406750482695 78.960 > 81 89 Se 0.20661625503767 0.33295696964680 0.37593249517305 78.960 > 89 90 Se 0.70661625503767 0.33295696964680 0.37593249517305 78.960 > 89 91 Se 0.20661625503767 0.83295696964680 0.37593249517305 78.960 > 89 92 Se 0.70661625503767 0.83295696964680 0.37593249517305 78.960 > 89 93 Se 0.20661625503767 0.33295696964680 0.87593249517305 78.960 > 89 94 Se 0.70661625503767 0.33295696964680 0.87593249517305 78.960 > 89 95 Se 0.20661625503767 0.83295696964680 0.87593249517305 78.960 > 89 96 Se 0.70661625503767 0.83295696964680 0.87593249517305 78.960 > 89 97 Au 0.10826341914866 0.43432321698771 0.25475702096388 196.967 > 97 98 Au 0.60826341914866 0.43432321698771 0.25475702096388 196.967 > 97 99 Au 0.10826341914866 0.93432321698771 0.25475702096388 196.967 > 97 100 Au 0.60826341914866 0.93432321698771 0.25475702096388 196.967 > 97 101 Au 0.10826341914866 0.43432321698771 0.75475702096388 196.967 > 97 102 Au 0.60826341914866 0.43432321698771 0.75475702096388 196.967 > 97 103 Au 0.10826341914866 0.93432321698771 0.75475702096388 196.967 > 97 104 Au 0.60826341914866 0.93432321698771 0.75475702096388 196.967 > 97 105 Au 0.39173658085134 0.18432321698771 0.49524297903612 196.967 > 105 106 Au 0.89173658085134 0.18432321698771 0.49524297903612 196.967 > 105 107 Au 0.39173658085134 0.68432321698771 0.49524297903612 196.967 > 105 108 Au 0.89173658085134 0.68432321698771 0.49524297903612 196.967 > 105 109 Au 0.39173658085134 0.18432321698771 0.99524297903612 196.967 > 105 110 Au 0.89173658085134 0.18432321698771 0.99524297903612 196.967 > 105 111 Au 0.39173658085134 0.68432321698771 0.99524297903612 196.967 > 105 112 Au 0.89173658085134 0.68432321698771 0.99524297903612 196.967 > 105 113 Au 0.39173658085134 0.06567678301229 0.24524297903612 196.967 > 113 114 Au 0.89173658085134 0.06567678301229 0.24524297903612 196.967 > 113 115 Au 0.39173658085134 0.56567678301229 0.24524297903612 196.967 > 113 116 Au 0.89173658085134 0.56567678301229 0.24524297903612 196.967 > 113 117 Au 0.39173658085134 0.06567678301229 0.74524297903612 196.967 > 113 118 Au 0.89173658085134 0.06567678301229 0.74524297903612 196.967 > 113 119 Au 0.39173658085134 0.56567678301229 0.74524297903612 196.967 > 113 120 Au 0.89173658085134 0.56567678301229 0.74524297903612 196.967 > 113 121 Au 0.10826341914866 0.31567678301229 0.00475702096388 196.967 > 121 122 Au 0.60826341914866 0.31567678301229 0.00475702096388 196.967 > 121 123 Au 0.10826341914866 0.81567678301229 0.00475702096388 196.967 > 121 124 Au 0.60826341914866 0.81567678301229 0.00475702096388 196.967 > 121 125 Au 0.10826341914866 0.31567678301229 0.50475702096388 196.967 > 121 126 Au 0.60826341914866 0.31567678301229 0.50475702096388 196.967 > 121 127 Au 0.10826341914866 0.81567678301229 0.50475702096388 196.967 > 121 128 Au 0.60826341914866 0.81567678301229 0.50475702096388 196.967 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.4989781 0.0000000 -0.9469429 0.0000000 10.4537022 0.0000000 -0.9469414 0.0000000 10.4799396 -------------------------- Born effective charges -------------------------- 1 Na 1.5795493 0.4415949 -0.1489154 -0.0296508 1.1263323 -0.1571170 -0.1995617 0.1645572 1.2801060 2 Na 1.5795493 -0.4415949 -0.1489154 0.0296508 1.1263323 0.1571170 -0.1995617 -0.1645572 1.2801060 3 Na 1.5795493 0.4415949 -0.1489154 -0.0296508 1.1263323 -0.1571170 -0.1995617 0.1645572 1.2801060 4 Na 1.5795493 -0.4415949 -0.1489154 0.0296508 1.1263323 0.1571170 -0.1995617 -0.1645572 1.2801060 5 Se -0.6308038 0.2479916 0.0173432 0.1311074 -0.3292816 0.2720678 0.2343243 0.0014044 -0.7541796 6 Se -0.6308038 -0.2479916 0.0173432 -0.1311074 -0.3292816 -0.2720678 0.2343243 -0.0014044 -0.7541796 7 Se -0.6308038 0.2479916 0.0173432 0.1311074 -0.3292816 0.2720678 0.2343243 0.0014044 -0.7541796 8 Se -0.6308038 -0.2479916 0.0173432 -0.1311074 -0.3292816 -0.2720678 0.2343243 -0.0014044 -0.7541796 9 Se -1.3068175 -0.1247832 0.0689442 0.3634878 -1.1653602 -0.7367408 -0.0094494 -0.2415069 -0.8197813 10 Se -1.3068175 0.1247832 0.0689442 -0.3634878 -1.1653602 0.7367408 -0.0094494 0.2415069 -0.8197813 11 Se -1.3068175 -0.1247832 0.0689442 0.3634878 -1.1653602 -0.7367408 -0.0094494 -0.2415069 -0.8197813 12 Se -1.3068175 0.1247832 0.0689442 -0.3634878 -1.1653602 0.7367408 -0.0094494 0.2415069 -0.8197813 13 Au 0.3580719 -0.5641462 0.0626279 -1.0226319 0.3683094 -0.4871779 -0.0253132 -0.5300975 0.2938548 14 Au 0.3580719 0.5641462 0.0626279 1.0226319 0.3683094 0.4871779 -0.0253132 0.5300975 0.2938548 15 Au 0.3580719 -0.5641462 0.0626279 -1.0226319 0.3683094 -0.4871779 -0.0253132 -0.5300975 0.2938548 16 Au 0.3580719 0.5641462 0.0626279 1.0226319 0.3683094 0.4871779 -0.0253132 0.5300975 0.2938548 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (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 ... [ 7 6 8 ] 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: 0.57, Number of G-points: 297, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 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 1.242 ( 0.000 0.000 0.000) 0.000 1.436 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.736 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 15.398 0.000 -1.839) 15.507 0.333 ( 13.592 0.000 8.079) 15.812 0.479 ( 22.052 0.000 -0.186) 22.052 1.274 ( 2.785 0.000 -0.329) 2.804 1.392 ( -2.268 0.000 -1.985) 3.014 1.520 ( 2.581 0.000 7.195) 7.644 1.653 ( -2.805 0.000 -0.086) 2.806 1.724 ( -2.591 0.000 3.663) 4.487 1.795 ( 1.613 0.000 -3.908) 4.228 1.931 ( -5.668 0.000 -2.392) 6.153 2.025 ( 1.756 0.000 -1.046) 2.044 2.441 ( -2.109 0.000 0.976) 2.324 2.491 ( -4.918 0.000 -7.566) 9.024 2.571 ( 1.174 0.000 -2.099) 2.405 2.610 ( 0.965 0.000 -0.267) 1.001 2.665 ( -0.960 0.000 2.061) 2.274 2.755 ( -0.636 0.000 -5.334) 5.372 2.790 ( 0.458 0.000 0.209) 0.503 2.885 ( -0.845 0.000 -1.353) 1.595 3.005 ( -0.420 0.000 -1.377) 1.440 3.362 ( -1.336 0.000 4.619) 4.808 3.410 ( 7.025 0.000 -16.884) 18.287 3.498 ( -2.331 0.000 6.061) 6.493 3.674 ( -0.398 0.000 3.347) 3.371 3.890 ( -0.362 0.000 -0.515) 0.629 4.120 ( -0.763 0.000 4.557) 4.621 4.172 ( 1.940 0.000 1.539) 2.476 4.336 ( -0.042 0.000 4.214) 4.214 5.077 ( 0.546 0.000 -0.813) 0.979 5.152 ( 0.848 0.000 0.170) 0.865 5.240 ( 1.723 0.000 -2.430) 2.979 5.308 ( -2.811 0.000 3.719) 4.662 5.315 ( 0.244 0.000 1.641) 1.659 5.450 ( 1.088 0.000 -2.671) 2.884 5.506 ( -1.693 0.000 -0.764) 1.857 5.547 ( -1.717 0.000 1.067) 2.021 5.605 ( 3.818 0.000 -0.734) 3.888 5.769 ( -3.921 0.000 3.602) 5.324 5.959 ( 0.946 0.000 -2.112) 2.315 6.014 ( 4.478 0.000 -3.067) 5.427 6.551 ( -0.463 0.000 0.231) 0.517 6.664 ( -0.372 0.000 -0.345) 0.507 6.698 ( 0.056 0.000 0.076) 0.094 6.751 ( -0.776 0.000 2.217) 2.349 6.872 ( -0.949 0.000 0.333) 1.005 6.928 ( 0.294 0.000 -0.146) 0.328 6.972 ( -0.104 0.000 0.081) 0.131 7.127 ( 0.841 0.000 -4.495) 4.573 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 12.973 0.000 -1.606) 13.072 0.630 ( 11.122 0.000 6.569) 12.917 0.846 ( 12.988 0.000 -1.065) 13.032 1.330 ( 2.509 0.000 0.465) 2.552 1.334 ( -2.349 0.000 -0.656) 2.439 1.615 ( -0.768 0.000 -1.818) 1.974 1.633 ( 2.051 0.000 4.767) 5.189 1.697 ( -1.100 0.000 7.167) 7.251 1.699 ( -4.511 0.000 -2.527) 5.170 1.922 ( 4.511 0.000 -0.593) 4.550 2.052 ( 1.481 0.000 -1.967) 2.462 2.322 ( -7.515 0.000 -6.918) 10.215 2.397 ( -2.764 0.000 0.753) 2.865 2.515 ( -4.947 0.000 -6.703) 8.331 2.619 ( -1.878 0.000 -1.873) 2.652 2.644 ( 2.475 0.000 -3.219) 4.061 2.674 ( -1.315 0.000 -4.507) 4.695 2.822 ( 0.628 0.000 -0.354) 0.721 2.883 ( 0.757 0.000 0.327) 0.825 3.007 ( 1.003 0.000 -1.143) 1.521 3.365 ( -1.026 0.000 5.274) 5.372 3.433 ( -0.686 0.000 -2.213) 2.317 3.472 ( -2.521 0.000 4.813) 5.433 3.681 ( -1.204 0.000 4.695) 4.847 3.909 ( 1.654 0.000 3.286) 3.679 4.145 ( 0.475 0.000 5.240) 5.261 4.220 ( 1.290 0.000 1.913) 2.307 4.358 ( -0.634 0.000 4.784) 4.825 5.092 ( 1.225 0.000 -0.502) 1.324 5.171 ( 0.773 0.000 0.333) 0.842 5.224 ( -1.414 0.000 -1.935) 2.397 5.269 ( -2.640 0.000 3.040) 4.026 5.364 ( 3.124 0.000 0.549) 3.172 5.459 ( 0.421 0.000 -0.365) 0.557 5.469 ( -1.390 0.000 -1.056) 1.746 5.510 ( -1.890 0.000 0.242) 1.905 5.688 ( 4.275 0.000 -0.065) 4.275 5.708 ( -2.814 0.000 0.182) 2.820 5.964 ( 0.904 0.000 -3.154) 3.281 6.091 ( 4.798 0.000 -4.665) 6.692 6.541 ( -0.572 0.000 0.273) 0.634 6.653 ( -0.478 0.000 -0.397) 0.621 6.700 ( 0.061 0.000 0.111) 0.127 6.747 ( -0.417 0.000 0.828) 0.927 6.850 ( -1.275 0.000 0.433) 1.347 6.934 ( 0.366 0.000 -0.162) 0.401 6.969 ( -0.161 0.000 0.097) 0.188 7.116 ( -0.248 0.000 -1.142) 1.169 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 5.926 0.000 -0.625) 5.959 0.832 ( 5.044 0.000 2.976) 5.857 0.979 ( 2.516 0.000 -1.836) 3.115 1.305 ( -0.332 0.000 0.531) 0.626 1.351 ( -1.453 0.000 1.921) 2.409 1.507 ( -4.821 0.000 -3.894) 6.197 1.642 ( 4.245 0.000 -2.056) 4.717 1.757 ( 1.333 0.000 6.234) 6.375 1.807 ( 4.046 0.000 6.319) 7.503 2.014 ( 3.435 0.000 -0.896) 3.550 2.059 ( 0.182 0.000 -0.362) 0.405 2.136 ( -5.668 0.000 -5.793) 8.105 2.313 ( -4.160 0.000 -3.334) 5.331 2.403 ( -1.577 0.000 -1.800) 2.393 2.575 ( -0.772 0.000 -1.827) 1.983 2.630 ( -1.537 0.000 -1.033) 1.852 2.685 ( 1.749 0.000 -0.702) 1.884 2.821 ( -0.034 0.000 -0.517) 0.518 2.901 ( 0.530 0.000 -0.063) 0.533 3.019 ( 0.465 0.000 -0.546) 0.718 3.376 ( -0.170 0.000 2.139) 2.146 3.385 ( -2.404 0.000 1.911) 3.071 3.452 ( -1.045 0.000 0.933) 1.401 3.682 ( -0.582 0.000 2.200) 2.276 3.972 ( 2.044 0.000 1.578) 2.582 4.189 ( 1.053 0.000 2.473) 2.688 4.238 ( -0.100 0.000 0.665) 0.672 4.358 ( -0.902 0.000 1.751) 1.970 5.112 ( 0.592 0.000 0.109) 0.601 5.189 ( -0.861 0.000 -0.787) 1.167 5.192 ( 1.150 0.000 0.906) 1.464 5.233 ( -1.963 0.000 0.093) 1.965 5.416 ( 1.691 0.000 -1.165) 2.054 5.445 ( -0.707 0.000 0.595) 0.924 5.463 ( -0.453 0.000 2.704) 2.742 5.485 ( -0.256 0.000 -1.770) 1.788 5.666 ( -0.951 0.000 -0.939) 1.336 5.759 ( 2.024 0.000 0.426) 2.068 5.959 ( 0.191 0.000 -1.806) 1.816 6.143 ( 1.940 0.000 -1.854) 2.683 6.533 ( -0.251 0.000 0.114) 0.275 6.644 ( -0.220 0.000 -0.160) 0.272 6.701 ( 0.025 0.000 0.055) 0.060 6.744 ( -0.144 0.000 0.227) 0.269 6.831 ( -0.608 0.000 0.200) 0.640 6.939 ( 0.164 0.000 -0.065) 0.176 6.967 ( -0.081 0.000 0.042) 0.092 7.107 ( -0.220 0.000 -0.188) 0.290 ======================= Grid point 7 (5/116) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 0.000 13.717 0.000) 13.717 0.330 ( 0.000 15.698 0.000) 15.698 0.428 ( 0.000 19.930 0.000) 19.930 1.213 ( 0.000 -4.027 0.000) 4.027 1.370 ( 0.000 -5.428 0.000) 5.428 1.451 ( 0.000 -0.858 0.000) 0.858 1.703 ( 0.000 1.603 0.000) 1.603 1.743 ( 0.000 4.233 0.000) 4.233 1.871 ( 0.000 3.569 0.000) 3.569 2.019 ( 0.000 -0.033 0.000) 0.033 2.054 ( 0.000 4.523 0.000) 4.523 2.409 ( 0.000 -5.296 0.000) 5.296 2.474 ( 0.000 -7.388 0.000) 7.388 2.553 ( 0.000 -5.051 0.000) 5.051 2.558 ( 0.000 -0.619 0.000) 0.619 2.684 ( 0.000 3.225 0.000) 3.225 2.754 ( 0.000 -6.477 0.000) 6.477 2.815 ( 0.000 -4.078 0.000) 4.078 2.860 ( 0.000 4.052 0.000) 4.052 3.014 ( 0.000 -1.558 0.000) 1.558 3.270 ( 0.000 2.402 0.000) 2.402 3.436 ( 0.000 0.272 0.000) 0.272 3.516 ( 0.000 1.751 0.000) 1.751 3.689 ( 0.000 1.647 0.000) 1.647 3.893 ( 0.000 1.200 0.000) 1.200 4.127 ( 0.000 -1.744 0.000) 1.744 4.147 ( 0.000 3.019 0.000) 3.019 4.373 ( 0.000 0.135 0.000) 0.135 5.076 ( 0.000 0.027 0.000) 0.027 5.126 ( 0.000 -1.161 0.000) 1.161 5.248 ( 0.000 2.493 0.000) 2.493 5.332 ( 0.000 0.625 0.000) 0.625 5.417 ( 0.000 -0.355 0.000) 0.355 5.442 ( 0.000 0.045 0.000) 0.045 5.453 ( 0.000 0.379 0.000) 0.379 5.532 ( 0.000 -1.189 0.000) 1.189 5.634 ( 0.000 1.684 0.000) 1.684 5.647 ( 0.000 0.393 0.000) 0.393 5.794 ( 0.000 -1.114 0.000) 1.114 5.937 ( 0.000 -1.777 0.000) 1.777 6.564 ( 0.000 0.159 0.000) 0.159 6.660 ( 0.000 -0.954 0.000) 0.954 6.690 ( 0.000 -0.626 0.000) 0.626 6.710 ( 0.000 -2.052 0.000) 2.052 6.901 ( 0.000 1.563 0.000) 1.563 6.932 ( 0.000 0.598 0.000) 0.598 7.015 ( 0.000 0.023 0.000) 0.023 7.064 ( 0.000 -0.536 0.000) 0.536 ======================= Grid point 8 (6/116) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 8.082 5.128 -3.169) 10.083 0.423 ( 13.154 8.633 -6.141) 16.890 0.692 ( 12.625 11.814 3.833) 17.710 1.220 ( 1.347 -4.874 -1.456) 5.262 1.345 ( -1.345 -3.892 -0.909) 4.217 1.475 ( 0.564 -3.173 3.005) 4.406 1.616 ( -3.479 -1.696 -3.753) 5.391 1.797 ( -1.398 5.019 2.750) 5.892 1.849 ( 1.169 4.201 0.085) 4.362 1.921 ( -6.319 -1.453 -4.475) 7.878 2.069 ( 1.072 4.232 -1.083) 4.498 2.354 ( -4.757 -7.552 -1.960) 9.138 2.471 ( 0.439 -1.247 -5.997) 6.141 2.509 ( 1.354 -5.825 -1.199) 6.099 2.573 ( -3.010 -4.229 -2.199) 5.637 2.630 ( -0.586 -0.619 -5.079) 5.150 2.783 ( 0.936 3.069 4.332) 5.391 2.834 ( 1.814 2.537 3.338) 4.568 2.927 ( 2.919 -0.299 2.912) 4.134 3.023 ( 0.669 2.687 0.861) 2.899 3.287 ( 0.297 -1.273 -0.876) 1.574 3.443 ( -0.251 -1.355 1.481) 2.023 3.519 ( -0.017 2.776 1.619) 3.214 3.699 ( -0.319 1.385 2.291) 2.696 3.880 ( -1.374 -0.111 1.471) 2.017 4.147 ( 1.232 -0.895 1.159) 1.914 4.149 ( -0.753 1.293 4.027) 4.296 4.367 ( -0.853 1.307 3.096) 3.467 5.080 ( 0.539 0.210 -0.597) 0.831 5.139 ( 1.121 -1.107 -0.210) 1.589 5.257 ( 0.378 1.118 -0.940) 1.509 5.319 ( -2.006 0.435 0.463) 2.104 5.322 ( -1.823 1.441 2.480) 3.399 5.459 ( 1.154 0.532 -2.409) 2.724 5.498 ( -1.266 -0.752 -0.351) 1.514 5.535 ( -0.810 -1.179 1.163) 1.843 5.626 ( 3.106 1.961 -0.766) 3.752 5.741 ( -1.449 -2.267 2.430) 3.625 5.871 ( 9.983 -6.088 -3.212) 12.126 5.943 ( 1.034 -1.656 -1.769) 2.635 6.556 ( -0.583 0.360 0.132) 0.698 6.656 ( -0.289 -0.936 -0.256) 1.012 6.693 ( 0.163 -0.474 0.128) 0.518 6.719 ( 0.206 -2.162 1.025) 2.401 6.893 ( -0.770 1.680 0.122) 1.852 6.934 ( 0.264 0.572 -0.102) 0.638 6.991 ( -1.017 1.073 0.092) 1.481 7.091 ( 1.535 -1.953 -1.535) 2.920 ======================= Grid point 9 (7/116) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 13.784 -5.597 5.608) 15.899 0.665 ( 12.479 4.553 -4.364) 13.982 0.899 ( 6.494 2.453 -1.278) 7.059 1.239 ( 0.267 -5.975 -1.547) 6.178 1.340 ( 1.722 -1.635 0.695) 2.474 1.492 ( -0.754 -6.721 5.187) 8.523 1.549 ( -1.587 -5.611 -1.584) 6.043 1.671 ( -7.653 -0.767 -5.823) 9.647 1.801 ( -1.567 -3.408 -4.983) 6.237 1.938 ( 3.091 6.093 4.890) 8.402 2.087 ( 1.080 2.835 -0.643) 3.101 2.210 ( -5.612 -8.857 -6.455) 12.313 2.433 ( -2.914 -3.976 -5.961) 7.735 2.447 ( -0.973 3.350 -3.931) 5.256 2.588 ( 1.142 0.040 3.230) 3.426 2.626 ( 2.464 -1.348 -2.516) 3.771 2.815 ( -1.731 8.267 1.335) 8.551 2.872 ( 1.402 7.979 3.465) 8.811 2.965 ( 1.300 -1.942 -0.637) 2.422 3.063 ( 1.471 8.471 -0.753) 8.631 3.266 ( -1.471 -5.088 2.432) 5.828 3.453 ( -1.191 -1.633 5.326) 5.697 3.511 ( -1.801 3.931 1.766) 4.670 3.697 ( -1.364 0.907 3.824) 4.160 3.881 ( 0.830 -1.908 2.611) 3.339 4.156 ( -0.818 -0.339 3.762) 3.865 4.189 ( 1.559 -1.563 2.893) 3.640 4.369 ( -1.226 0.396 3.550) 3.776 5.093 ( 0.955 0.093 -0.545) 1.103 5.163 ( 1.284 -0.985 -0.310) 1.648 5.228 ( -2.021 0.274 -0.254) 2.056 5.273 ( -2.485 0.717 1.686) 3.088 5.354 ( 2.538 -0.499 0.241) 2.598 5.460 ( -0.624 -0.420 -0.850) 1.135 5.469 ( -0.965 0.167 -0.068) 0.981 5.506 ( -1.519 -0.546 -0.277) 1.637 5.681 ( 0.348 -0.305 0.182) 0.497 5.726 ( 1.835 1.433 -1.079) 2.566 5.954 ( 1.219 -0.993 -2.721) 3.143 6.024 ( 6.709 -5.146 -3.581) 9.183 6.545 ( -0.557 0.420 0.229) 0.734 6.647 ( -0.429 -0.720 -0.155) 0.852 6.697 ( 0.118 -0.277 0.201) 0.361 6.725 ( -0.097 -1.600 0.617) 1.718 6.874 ( -1.019 1.940 0.226) 2.202 6.940 ( 0.287 0.465 -0.083) 0.552 6.980 ( -0.242 0.965 0.015) 0.995 7.101 ( 0.188 -1.312 -0.645) 1.474 ======================= Grid point 10 (8/116) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 8.563 -2.706 3.603) 9.676 0.837 ( 4.268 2.073 -0.537) 4.775 0.963 ( 1.918 -1.000 -2.586) 3.371 1.200 ( -2.272 -7.114 -0.077) 7.468 1.394 ( 0.682 0.735 1.144) 1.521 1.474 ( -4.157 -4.602 -4.092) 7.430 1.505 ( 1.414 -11.666 1.951) 11.912 1.604 ( 1.544 -8.647 5.005) 10.110 1.729 ( -2.763 -6.716 -6.632) 9.835 1.953 ( -1.514 -6.282 -2.346) 6.875 2.101 ( 0.498 0.975 0.451) 1.184 2.176 ( 3.075 3.824 2.380) 5.454 2.340 ( -2.858 3.046 -6.813) 7.991 2.400 ( -1.461 1.803 -0.209) 2.330 2.636 ( 1.447 5.048 4.863) 7.157 2.670 ( 1.964 -0.861 -0.869) 2.314 2.741 ( -3.425 8.680 -3.114) 9.837 2.939 ( 2.101 10.139 3.632) 10.973 2.985 ( 0.621 -0.864 0.037) 1.065 3.044 ( -1.090 9.869 -3.708) 10.599 3.266 ( -0.424 -5.836 1.951) 6.168 3.449 ( -1.141 0.046 3.290) 3.483 3.482 ( -1.249 4.172 0.474) 4.381 3.693 ( -0.565 0.628 1.903) 2.082 3.929 ( 1.737 -3.615 1.414) 4.252 4.150 ( -0.857 -3.794 0.955) 4.006 4.240 ( 1.559 0.182 2.168) 2.677 4.351 ( -1.488 -0.925 1.008) 2.021 5.105 ( 0.256 -0.445 0.028) 0.514 5.182 ( 0.504 -1.527 -0.695) 1.752 5.203 ( -0.007 1.175 0.785) 1.413 5.236 ( -1.612 1.051 0.098) 1.927 5.398 ( 1.341 -1.435 -0.333) 1.993 5.442 ( -0.422 -0.280 0.149) 0.528 5.453 ( -1.047 -1.059 1.800) 2.336 5.480 ( -0.410 -0.634 -1.702) 1.862 5.670 ( -0.254 0.674 -0.644) 0.967 5.770 ( 1.507 0.824 -0.167) 1.726 5.960 ( 0.542 0.071 -1.411) 1.513 6.104 ( 2.439 -3.480 -1.469) 4.497 6.538 ( -0.238 0.468 0.106) 0.536 6.640 ( -0.209 -0.566 -0.032) 0.605 6.700 ( 0.046 -0.114 0.099) 0.158 6.725 ( -0.075 -1.291 0.177) 1.305 6.859 ( -0.458 2.196 0.115) 2.246 6.944 ( 0.108 0.333 -0.023) 0.351 6.978 ( -0.026 1.062 0.005) 1.063 7.098 ( -0.089 -0.828 -0.116) 0.841 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 0.000 13.424 0.000) 13.424 0.613 ( 0.000 12.267 0.000) 12.267 0.749 ( 0.000 10.335 0.000) 10.335 1.056 ( 0.000 -10.738 0.000) 10.738 1.296 ( 0.000 -0.916 0.000) 0.916 1.421 ( 0.000 -2.437 0.000) 2.437 1.808 ( 0.000 8.180 0.000) 8.180 1.850 ( 0.000 6.024 0.000) 6.024 1.914 ( 0.000 1.463 0.000) 1.463 2.009 ( 0.000 -1.135 0.000) 1.135 2.132 ( 0.000 0.774 0.000) 0.774 2.261 ( 0.000 -8.953 0.000) 8.953 2.357 ( 0.000 -1.968 0.000) 1.968 2.481 ( 0.000 -1.976 0.000) 1.976 2.511 ( 0.000 -4.192 0.000) 4.192 2.597 ( 0.000 -7.870 0.000) 7.870 2.742 ( 0.000 2.789 0.000) 2.789 2.774 ( 0.000 0.171 0.000) 0.171 2.901 ( 0.000 0.205 0.000) 0.205 2.959 ( 0.000 -3.577 0.000) 3.577 3.329 ( 0.000 3.223 0.000) 3.223 3.429 ( 0.000 -1.161 0.000) 1.161 3.573 ( 0.000 3.823 0.000) 3.823 3.701 ( 0.000 -0.949 0.000) 0.949 3.935 ( 0.000 3.004 0.000) 3.004 4.077 ( 0.000 -3.156 0.000) 3.156 4.229 ( 0.000 4.726 0.000) 4.726 4.366 ( 0.000 -1.193 0.000) 1.193 5.079 ( 0.000 0.262 0.000) 0.262 5.104 ( 0.000 -1.009 0.000) 1.009 5.299 ( 0.000 2.215 0.000) 2.215 5.341 ( 0.000 0.055 0.000) 0.055 5.418 ( 0.000 0.601 0.000) 0.601 5.442 ( 0.000 -0.078 0.000) 0.078 5.459 ( 0.000 0.307 0.000) 0.307 5.502 ( 0.000 -1.679 0.000) 1.679 5.660 ( 0.000 0.991 0.000) 0.991 5.678 ( 0.000 2.088 0.000) 2.088 5.772 ( 0.000 -0.412 0.000) 0.412 5.884 ( 0.000 -3.418 0.000) 3.418 6.572 ( 0.000 0.742 0.000) 0.742 6.632 ( 0.000 -1.807 0.000) 1.807 6.674 ( 0.000 -1.182 0.000) 1.182 6.676 ( 0.000 -0.755 0.000) 0.755 6.931 ( 0.000 1.274 0.000) 1.274 6.945 ( 0.000 0.554 0.000) 0.554 7.018 ( 0.000 0.307 0.000) 0.307 7.049 ( 0.000 -0.932 0.000) 0.932 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -3.432 14.303 -7.569) 16.542 0.624 ( 7.213 10.398 -3.527) 13.137 0.852 ( 4.621 2.972 -1.143) 5.612 1.077 ( 2.879 -9.016 -2.177) 9.712 1.293 ( -0.152 -0.162 -0.172) 0.281 1.418 ( -0.712 -2.890 0.192) 2.983 1.625 ( -7.676 2.954 -8.937) 12.146 1.837 ( -4.243 -1.746 -7.443) 8.744 1.859 ( -8.356 -1.608 -8.054) 11.716 1.981 ( 2.258 5.403 6.713) 8.908 2.127 ( -2.234 -3.245 -2.115) 4.471 2.202 ( -2.158 -1.436 -2.370) 3.512 2.410 ( 1.987 -3.405 -0.517) 3.976 2.467 ( 0.740 -2.238 -5.370) 5.864 2.512 ( 2.057 0.989 5.178) 5.659 2.620 ( 0.464 0.080 -3.949) 3.977 2.796 ( 6.669 -3.072 9.438) 11.957 2.867 ( 2.166 -3.807 0.124) 4.381 2.905 ( 3.292 5.395 5.497) 8.376 3.075 ( 3.984 0.756 7.885) 8.866 3.299 ( -1.976 1.870 1.427) 3.072 3.408 ( -3.059 -2.024 3.316) 4.945 3.580 ( 0.138 3.390 1.262) 3.620 3.701 ( -0.912 -1.408 2.190) 2.758 3.909 ( -2.129 3.182 0.572) 3.871 4.082 ( -0.031 -4.048 0.948) 4.158 4.223 ( -1.109 4.455 2.452) 5.205 4.366 ( -0.776 -1.441 2.308) 2.829 5.085 ( 0.697 0.344 -0.493) 0.920 5.115 ( 1.093 -1.173 -0.588) 1.708 5.280 ( -2.120 1.205 1.110) 2.680 5.320 ( -2.046 -0.337 1.031) 2.316 5.369 ( -1.044 2.815 -0.812) 3.111 5.456 ( 0.444 -1.027 -2.082) 2.363 5.486 ( -0.023 -0.258 -0.493) 0.556 5.507 ( -0.087 -1.395 0.859) 1.640 5.668 ( 2.002 1.851 -0.924) 2.879 5.714 ( 1.540 -0.392 -0.894) 1.823 5.810 ( 5.360 -0.807 -2.010) 5.781 5.896 ( 1.608 -2.951 -1.521) 3.688 6.567 ( -0.434 0.843 0.176) 0.965 6.628 ( -0.296 -1.806 0.002) 1.830 6.678 ( 0.348 -0.723 0.460) 0.925 6.688 ( 0.692 -0.936 0.536) 1.281 6.925 ( -0.474 1.398 -0.085) 1.479 6.946 ( 0.082 0.404 -0.049) 0.415 7.010 ( -0.467 0.918 -0.006) 1.030 7.059 ( 0.790 -1.435 -0.238) 1.655 ======================= Grid point 16 (11/116) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 8.891 5.767 -2.552) 10.900 0.765 ( 7.163 2.967 -2.717) 8.215 0.911 ( 4.456 0.286 -4.860) 6.600 1.124 ( 1.946 -5.441 -3.996) 7.025 1.278 ( -1.723 -3.000 -0.155) 3.464 1.381 ( -2.874 -6.291 0.693) 6.951 1.459 ( -3.975 -1.241 -4.191) 5.908 1.610 ( -8.933 -5.611 -10.162) 14.648 1.739 ( -2.552 -0.317 -5.770) 6.317 1.913 ( -5.922 -8.294 -6.372) 12.020 2.125 ( 0.876 3.714 2.946) 4.821 2.191 ( 0.869 2.874 1.084) 3.192 2.388 ( -0.048 -0.126 -3.810) 3.813 2.479 ( 1.219 -1.192 -3.269) 3.686 2.622 ( 2.732 2.576 -2.223) 4.363 2.646 ( 3.948 4.848 7.993) 10.148 2.886 ( 0.494 -4.089 -1.682) 4.449 2.978 ( 4.225 -0.359 6.679) 7.911 3.020 ( 2.772 9.573 9.611) 13.845 3.145 ( 1.171 2.814 3.595) 4.714 3.270 ( -1.699 3.694 -1.067) 4.203 3.401 ( 0.028 -4.005 7.028) 8.089 3.576 ( -1.657 2.822 2.344) 4.026 3.686 ( -1.802 -2.142 3.037) 4.130 3.878 ( -0.994 2.239 0.940) 2.624 4.076 ( -1.408 -5.663 1.353) 5.990 4.220 ( -0.479 3.048 3.112) 4.383 4.353 ( -1.790 -2.085 1.959) 3.375 5.097 ( 0.699 0.344 -0.686) 1.038 5.134 ( 0.997 -1.596 -0.869) 2.073 5.241 ( -1.872 1.174 1.519) 2.682 5.287 ( -1.579 0.044 0.916) 1.826 5.362 ( 0.554 1.542 -0.942) 1.890 5.443 ( -0.630 -1.314 -0.766) 1.646 5.466 ( -1.960 -0.335 0.280) 2.008 5.487 ( -0.921 -1.167 -1.532) 2.134 5.690 ( 0.570 1.348 -0.752) 1.645 5.749 ( 2.534 0.340 -1.625) 3.029 5.922 ( 3.599 -1.971 -1.341) 4.317 5.943 ( 5.771 -2.354 -2.964) 6.902 6.559 ( -0.447 1.004 0.252) 1.127 6.622 ( -0.372 -1.731 0.204) 1.782 6.690 ( 0.379 -0.246 0.625) 0.772 6.702 ( 0.421 -0.669 0.346) 0.862 6.913 ( -0.622 1.724 -0.040) 1.833 6.947 ( 0.027 0.068 -0.036) 0.081 7.005 ( 0.013 1.495 -0.004) 1.495 7.071 ( 0.430 -1.595 -0.115) 1.656 ======================= Grid point 17 (12/116) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 10.972 -0.663 2.418) 11.255 0.855 ( 1.793 -1.821 -0.898) 2.709 0.983 ( 3.456 3.221 -3.721) 6.013 1.063 ( -4.555 -5.611 -1.767) 7.440 1.233 ( -2.107 -10.193 -1.971) 10.594 1.357 ( 0.316 -7.855 1.754) 8.054 1.392 ( -1.753 -2.647 -0.420) 3.202 1.422 ( -4.172 -6.665 -4.917) 9.275 1.674 ( -1.198 0.063 -2.671) 2.928 1.798 ( -1.892 -6.726 -3.546) 7.835 2.139 ( -0.004 2.494 0.546) 2.553 2.216 ( 0.238 -0.420 1.288) 1.376 2.403 ( 2.666 3.408 -1.077) 4.458 2.457 ( -1.723 2.142 -1.959) 3.376 2.653 ( 1.258 0.769 -0.947) 1.753 2.766 ( 3.273 5.005 6.097) 8.540 2.851 ( -2.626 0.522 -2.496) 3.660 3.026 ( 0.472 8.138 1.125) 8.229 3.123 ( 1.068 -0.934 6.678) 6.827 3.181 ( 0.624 5.326 0.341) 5.373 3.251 ( 0.816 8.223 -1.841) 8.466 3.435 ( -0.092 -2.066 3.266) 3.866 3.553 ( -1.133 2.921 1.200) 3.355 3.673 ( -0.593 -3.048 1.402) 3.407 3.879 ( 0.267 -0.072 0.584) 0.647 4.046 ( -1.435 -6.134 0.442) 6.315 4.244 ( 1.096 0.455 2.125) 2.434 4.317 ( -1.972 -2.391 -0.016) 3.100 5.102 ( 0.055 0.194 -0.198) 0.283 5.142 ( 0.278 -1.987 -0.542) 2.079 5.232 ( 0.079 1.617 1.008) 1.907 5.263 ( -0.974 1.025 0.031) 1.415 5.374 ( 0.724 -0.585 -0.442) 1.031 5.421 ( -1.606 -1.855 1.175) 2.721 5.437 ( -0.144 -0.106 -0.349) 0.392 5.461 ( -0.597 -1.124 -1.636) 2.073 5.698 ( 0.425 2.061 -0.432) 2.148 5.776 ( 0.739 -0.600 -0.691) 1.176 5.964 ( 1.419 0.387 -0.766) 1.658 6.030 ( 2.746 -3.332 -1.068) 4.448 6.553 ( -0.193 1.116 0.122) 1.139 6.617 ( -0.189 -1.638 0.132) 1.655 6.699 ( 0.186 0.074 0.346) 0.400 6.708 ( 0.079 -0.411 0.033) 0.420 6.903 ( -0.261 2.008 0.002) 2.025 6.947 ( 0.011 -0.140 -0.007) 0.140 7.007 ( 0.086 1.728 0.005) 1.730 7.076 ( 0.083 -1.422 -0.010) 1.425 ======================= Grid point 21 (13/116) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 -6.676 0.000) 6.676 0.785 ( 0.000 6.676 0.000) 6.676 0.823 ( 0.000 -11.290 0.000) 11.290 0.823 ( 0.000 11.290 0.000) 11.290 1.347 ( 0.000 -4.592 0.000) 4.592 1.347 ( 0.000 4.592 0.000) 4.592 1.935 ( 0.000 -0.095 0.000) 0.095 1.935 ( 0.000 0.095 0.000) 0.095 1.968 ( 0.000 -4.071 0.000) 4.071 1.968 ( 0.000 4.071 0.000) 4.071 2.107 ( 0.000 -2.580 0.000) 2.580 2.107 ( 0.000 2.580 0.000) 2.580 2.411 ( 0.000 -5.141 0.000) 5.141 2.411 ( 0.000 5.141 0.000) 5.141 2.485 ( 0.000 -2.762 0.000) 2.762 2.485 ( 0.000 2.762 0.000) 2.762 2.785 ( 0.000 -0.573 0.000) 0.573 2.785 ( 0.000 0.573 0.000) 0.573 2.901 ( 0.000 -1.197 0.000) 1.197 2.901 ( 0.000 1.197 0.000) 1.197 3.389 ( 0.000 -2.668 0.000) 2.668 3.389 ( 0.000 2.668 0.000) 2.668 3.652 ( 0.000 -3.595 0.000) 3.595 3.652 ( 0.000 3.595 0.000) 3.595 4.006 ( 0.000 -3.791 0.000) 3.791 4.006 ( 0.000 3.791 0.000) 3.791 4.317 ( 0.000 -3.668 0.000) 3.668 4.317 ( 0.000 3.668 0.000) 3.668 5.087 ( 0.000 -0.627 0.000) 0.627 5.087 ( 0.000 0.627 0.000) 0.627 5.331 ( 0.000 -1.048 0.000) 1.048 5.331 ( 0.000 1.048 0.000) 1.048 5.436 ( 0.000 -0.734 0.000) 0.734 5.436 ( 0.000 0.734 0.000) 0.734 5.472 ( 0.000 -1.145 0.000) 1.145 5.472 ( 0.000 1.145 0.000) 1.145 5.684 ( 0.000 -1.146 0.000) 1.146 5.684 ( 0.000 1.146 0.000) 1.146 5.809 ( 0.000 -3.623 0.000) 3.623 5.809 ( 0.000 3.623 0.000) 3.623 6.595 ( 0.000 -1.610 0.000) 1.610 6.595 ( 0.000 1.610 0.000) 1.610 6.665 ( 0.000 -0.154 0.000) 0.154 6.665 ( 0.000 0.154 0.000) 0.154 6.948 ( 0.000 -0.358 0.000) 0.358 6.948 ( 0.000 0.358 0.000) 0.358 7.030 ( 0.000 -0.864 0.000) 0.864 7.030 ( 0.000 0.864 0.000) 0.864 ======================= Grid point 23 (14/116) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -3.101 -6.853 -3.166) 8.161 0.713 ( -3.101 6.853 -3.166) 8.161 0.895 ( 6.059 -7.499 -4.242) 10.532 0.895 ( 6.059 7.499 -4.242) 10.532 1.344 ( -0.840 -4.169 -0.635) 4.300 1.344 ( -0.840 4.169 -0.635) 4.300 1.726 ( -9.221 -6.263 -11.966) 16.354 1.726 ( -9.221 6.263 -11.966) 16.354 1.922 ( -5.449 -5.760 -5.272) 9.522 1.922 ( -5.449 5.760 -5.272) 9.522 2.166 ( 1.924 -4.740 3.724) 6.327 2.166 ( 1.924 4.740 3.724) 6.327 2.404 ( 0.932 -2.612 -2.981) 4.071 2.404 ( 0.932 2.612 -2.981) 4.071 2.585 ( 5.453 -4.233 7.010) 9.838 2.585 ( 5.453 4.233 7.010) 9.838 2.783 ( 1.940 -3.036 -0.275) 3.613 2.783 ( 1.940 3.036 -0.275) 3.613 3.024 ( 6.314 -5.224 9.252) 12.359 3.024 ( 6.314 5.224 9.252) 12.359 3.355 ( -3.580 -3.197 2.644) 5.480 3.355 ( -3.580 3.197 2.644) 5.480 3.650 ( -0.897 -3.324 1.792) 3.881 3.650 ( -0.897 3.324 1.792) 3.881 3.993 ( -1.365 -4.681 0.453) 4.897 3.993 ( -1.365 4.681 0.453) 4.897 4.311 ( -1.119 -3.878 1.756) 4.402 4.311 ( -1.119 3.878 1.756) 4.402 5.095 ( 0.854 -0.747 -0.627) 1.296 5.095 ( 0.854 0.747 -0.627) 1.296 5.304 ( -2.441 -1.127 1.469) 3.064 5.304 ( -2.441 1.127 1.469) 3.064 5.422 ( -0.211 -2.295 -1.840) 2.949 5.422 ( -0.211 2.295 -1.840) 2.949 5.487 ( 0.148 -0.445 -0.078) 0.475 5.487 ( 0.148 0.445 -0.078) 0.475 5.699 ( 1.834 -1.283 -1.550) 2.723 5.699 ( 1.834 1.283 -1.550) 2.723 5.835 ( 3.001 -2.780 -1.274) 4.285 5.835 ( 3.001 2.780 -1.274) 4.285 6.592 ( -0.329 -1.625 0.161) 1.666 6.592 ( -0.329 1.625 0.161) 1.666 6.675 ( 0.658 -0.322 0.551) 0.916 6.675 ( 0.658 0.322 0.551) 0.916 6.945 ( -0.209 -0.519 -0.115) 0.571 6.945 ( -0.209 0.519 -0.115) 0.571 7.032 ( 0.214 -1.285 0.018) 1.303 7.032 ( 0.214 1.285 0.018) 1.303 ======================= Grid point 25 (15/116) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 2.740 -9.358 -4.490) 10.735 0.678 ( 2.740 9.358 -4.490) 10.735 1.002 ( 6.288 -6.811 -5.088) 10.574 1.002 ( 6.288 6.811 -5.088) 10.574 1.275 ( -5.202 -3.033 -2.113) 6.382 1.275 ( -5.202 3.033 -2.113) 6.382 1.496 ( -6.971 -4.557 -8.265) 11.733 1.496 ( -6.971 4.557 -8.265) 11.733 1.781 ( -4.150 -4.305 -5.649) 8.226 1.781 ( -4.150 4.305 -5.649) 8.226 2.191 ( -0.391 -2.307 1.561) 2.813 2.191 ( -0.391 2.307 1.561) 2.813 2.427 ( 2.361 -3.082 -2.072) 4.400 2.427 ( 2.361 3.082 -2.072) 4.400 2.693 ( 2.308 -2.745 1.364) 3.837 2.693 ( 2.308 2.745 1.364) 3.837 2.878 ( 4.584 -5.215 6.044) 9.206 2.878 ( 4.584 5.215 6.044) 9.206 3.184 ( 3.002 -3.548 7.823) 9.100 3.184 ( 3.002 3.548 7.823) 9.100 3.314 ( -0.579 -2.510 3.228) 4.130 3.314 ( -0.579 2.510 3.228) 4.130 3.632 ( -1.979 -2.860 2.430) 4.243 3.632 ( -1.979 2.860 2.430) 4.243 3.960 ( -1.977 -5.416 0.677) 5.806 3.960 ( -1.977 5.416 0.677) 5.806 4.291 ( -1.680 -3.734 1.621) 4.404 4.291 ( -1.680 3.734 1.621) 4.404 5.109 ( 0.706 -0.872 -0.865) 1.417 5.109 ( 0.706 0.872 -0.865) 1.417 5.270 ( -1.446 -1.454 1.455) 2.514 5.270 ( -1.446 1.454 1.455) 2.514 5.405 ( -0.719 -2.321 -1.062) 2.652 5.405 ( -0.719 2.321 -1.062) 2.652 5.468 ( -1.261 -0.582 -1.069) 1.752 5.468 ( -1.261 0.582 -1.069) 1.752 5.728 ( 1.574 -2.025 -1.356) 2.901 5.728 ( 1.574 2.025 -1.356) 2.901 5.911 ( 4.834 -0.875 -1.830) 5.243 5.911 ( 4.834 0.875 -1.830) 5.243 6.586 ( -0.352 -1.668 0.294) 1.730 6.586 ( -0.352 1.668 0.294) 1.730 6.692 ( 0.574 -0.390 0.592) 0.912 6.692 ( 0.574 0.390 0.592) 0.912 6.939 ( -0.266 -0.847 -0.100) 0.893 6.939 ( -0.266 0.847 -0.100) 0.893 7.038 ( 0.318 -1.704 0.045) 1.734 7.038 ( 0.318 1.704 0.045) 1.734 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 7.156 -4.735 -1.088) 8.649 0.776 ( 7.156 4.735 -1.088) 8.649 1.008 ( -4.534 -0.750 -3.915) 6.037 1.008 ( -4.534 0.750 -3.915) 6.037 1.197 ( 0.673 -6.078 -0.813) 6.169 1.197 ( 0.673 6.078 -0.813) 6.169 1.359 ( -3.405 -0.261 -2.305) 4.120 1.359 ( -3.405 0.261 -2.305) 4.120 1.705 ( -1.172 -2.920 -2.283) 3.887 1.705 ( -1.172 2.920 -2.283) 3.887 2.187 ( -0.306 -2.097 0.358) 2.149 2.187 ( -0.306 2.097 0.358) 2.149 2.457 ( 1.044 -1.792 -0.643) 2.171 2.457 ( 1.044 1.792 -0.643) 2.171 2.719 ( 0.469 -5.041 -0.358) 5.076 2.719 ( 0.469 5.041 -0.358) 5.076 2.971 ( 1.220 -7.935 3.499) 8.758 2.971 ( 1.220 7.935 3.499) 8.758 3.229 ( 0.310 -5.484 2.098) 5.880 3.229 ( 0.310 5.484 2.098) 5.880 3.366 ( 1.718 -3.956 2.368) 4.920 3.366 ( 1.718 3.956 2.368) 4.920 3.607 ( -1.120 -2.853 0.909) 3.197 3.607 ( -1.120 2.853 0.909) 3.197 3.931 ( -0.964 -4.746 0.373) 4.858 3.931 ( -0.964 4.746 0.373) 4.858 4.268 ( -0.920 -2.040 0.519) 2.297 4.268 ( -0.920 2.040 0.519) 2.297 5.113 ( 0.136 -0.940 -0.422) 1.039 5.113 ( 0.136 0.940 -0.422) 1.039 5.262 ( -0.240 -1.080 0.705) 1.312 5.262 ( -0.240 1.080 0.705) 1.312 5.385 ( -0.648 -1.537 -0.197) 1.679 5.385 ( -0.648 1.537 -0.197) 1.679 5.442 ( -0.476 -0.614 -0.825) 1.133 5.442 ( -0.476 0.614 -0.825) 1.133 5.744 ( 0.533 -2.285 -0.527) 2.404 5.744 ( 0.533 2.285 -0.527) 2.404 5.981 ( 2.244 -1.538 -0.806) 2.837 5.981 ( 2.244 1.538 -0.806) 2.837 6.582 ( -0.162 -1.686 0.155) 1.701 6.582 ( -0.162 1.686 0.155) 1.701 6.702 ( 0.203 -0.241 0.244) 0.398 6.702 ( 0.203 0.241 0.244) 0.398 6.935 ( -0.095 -1.093 -0.031) 1.097 6.935 ( -0.095 1.093 -0.031) 1.097 7.043 ( 0.135 -1.785 0.029) 1.791 7.043 ( 0.135 1.785 0.029) 1.791 ======================= Grid point 49 (17/116) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( -0.190 0.000 14.184) 14.186 0.299 ( 4.631 0.000 15.087) 15.782 0.517 ( -10.139 0.000 25.444) 27.390 1.271 ( -1.020 0.000 2.514) 2.713 1.369 ( 1.074 0.000 -3.248) 3.420 1.514 ( 3.667 0.000 1.755) 4.065 1.691 ( 0.356 0.000 0.058) 0.361 1.771 ( 2.684 0.000 3.152) 4.140 1.787 ( -2.363 0.000 0.812) 2.499 2.004 ( -1.032 0.000 -0.737) 1.268 2.017 ( -4.025 0.000 -0.354) 4.041 2.382 ( 2.419 0.000 -5.646) 6.142 2.407 ( 0.269 0.000 -8.687) 8.692 2.597 ( -3.722 0.000 -1.732) 4.105 2.608 ( -2.338 0.000 2.891) 3.718 2.688 ( -0.252 0.000 -4.590) 4.597 2.756 ( -3.122 0.000 2.040) 3.730 2.796 ( -1.769 0.000 -1.714) 2.463 2.869 ( -0.141 0.000 0.914) 0.925 2.974 ( -0.540 0.000 -4.714) 4.745 3.356 ( -4.742 0.000 -3.406) 5.838 3.399 ( 3.481 0.000 3.144) 4.691 3.556 ( -1.892 0.000 3.088) 3.621 3.671 ( 3.236 0.000 0.365) 3.257 4.025 ( -4.629 0.000 0.353) 4.643 4.096 ( 5.094 0.000 -1.790) 5.399 4.184 ( -2.128 0.000 3.233) 3.870 4.319 ( 4.132 0.000 -0.296) 4.142 5.065 ( -0.655 0.000 -0.820) 1.049 5.136 ( -0.115 0.000 -0.543) 0.555 5.223 ( -1.377 0.000 0.155) 1.386 5.275 ( 3.088 0.000 -3.396) 4.590 5.340 ( -0.394 0.000 2.364) 2.397 5.487 ( 7.252 0.000 0.516) 7.271 5.516 ( 1.692 0.000 2.527) 3.041 5.553 ( 1.427 0.000 0.968) 1.724 5.585 ( -3.798 0.000 3.390) 5.091 5.655 ( 2.047 0.000 -0.275) 2.065 5.828 ( -1.436 0.000 1.828) 2.324 5.933 ( -1.463 0.000 -2.053) 2.521 6.565 ( -0.075 0.000 0.931) 0.934 6.668 ( -0.353 0.000 -0.130) 0.376 6.687 ( -0.165 0.000 -0.983) 0.996 6.752 ( 2.031 0.000 -0.996) 2.262 6.879 ( 0.419 0.000 -0.100) 0.431 6.926 ( -0.182 0.000 0.104) 0.209 6.977 ( -0.044 0.000 0.420) 0.422 7.093 ( -2.805 0.000 -0.154) 2.809 ======================= Grid point 50 (18/116) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 5.042 0.000 10.238) 11.412 0.540 ( 9.530 0.000 11.835) 15.195 0.689 ( 9.107 0.000 14.871) 17.437 1.293 ( 2.029 0.000 2.336) 3.095 1.362 ( -0.792 0.000 -0.921) 1.215 1.602 ( 3.593 0.000 -1.549) 3.913 1.660 ( -3.027 0.000 1.533) 3.393 1.750 ( -1.514 0.000 2.008) 2.514 1.814 ( -1.017 0.000 4.874) 4.979 1.907 ( -4.105 0.000 -0.178) 4.109 1.989 ( 1.174 0.000 -2.780) 3.018 2.347 ( -3.337 0.000 -7.138) 7.880 2.399 ( 1.262 0.000 -4.118) 4.308 2.529 ( -5.436 0.000 -6.446) 8.432 2.543 ( 0.608 0.000 -4.233) 4.276 2.637 ( -0.959 0.000 -2.490) 2.668 2.640 ( -5.077 0.000 -4.865) 7.032 2.797 ( 1.490 0.000 0.081) 1.492 2.898 ( 0.634 0.000 2.131) 2.223 2.944 ( 0.496 0.000 -4.774) 4.800 3.337 ( 3.621 0.000 4.630) 5.878 3.455 ( -0.242 0.000 4.344) 4.351 3.594 ( 0.949 0.000 3.882) 3.996 3.735 ( 1.826 0.000 2.728) 3.282 3.988 ( -1.979 0.000 7.191) 7.458 4.188 ( 3.236 0.000 2.044) 3.828 4.215 ( 1.696 0.000 2.468) 2.995 4.397 ( 2.499 0.000 1.697) 3.020 5.062 ( 0.707 0.000 -0.432) 0.829 5.143 ( 1.180 0.000 -0.965) 1.524 5.199 ( -0.487 0.000 -1.994) 2.052 5.325 ( 3.133 0.000 -2.448) 3.976 5.347 ( 0.314 0.000 1.569) 1.600 5.448 ( -4.540 0.000 3.299) 5.612 5.516 ( -3.600 0.000 2.144) 4.190 5.559 ( -1.067 0.000 1.031) 1.484 5.618 ( 3.412 0.000 1.823) 3.869 5.803 ( -3.062 0.000 0.607) 3.121 5.812 ( 10.341 0.000 -11.391) 15.385 5.897 ( -0.286 0.000 -3.971) 3.981 6.564 ( -0.587 0.000 0.996) 1.156 6.658 ( -0.437 0.000 -0.316) 0.540 6.685 ( 0.532 0.000 -1.220) 1.331 6.764 ( -0.137 0.000 -0.847) 0.857 6.878 ( -0.622 0.000 0.392) 0.735 6.925 ( 0.127 0.000 -0.051) 0.137 6.977 ( -0.190 0.000 0.426) 0.467 7.081 ( 0.941 0.000 -0.245) 0.972 ======================= Grid point 51 (19/116) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 11.985 0.000 1.776) 12.116 0.776 ( 7.339 0.000 7.738) 10.665 0.894 ( 4.539 0.000 4.252) 6.220 1.333 ( -1.483 0.000 0.347) 1.523 1.394 ( 5.076 0.000 5.846) 7.742 1.557 ( -4.370 0.000 -4.438) 6.228 1.581 ( -4.239 0.000 -1.995) 4.685 1.798 ( 3.227 0.000 1.449) 3.538 1.840 ( 1.237 0.000 7.376) 7.478 1.909 ( 3.208 0.000 2.417) 4.017 2.025 ( 2.745 0.000 -0.226) 2.754 2.174 ( -8.204 0.000 -8.871) 12.083 2.318 ( -5.285 0.000 -9.588) 10.948 2.419 ( -1.105 0.000 -1.760) 2.078 2.545 ( -0.953 0.000 -3.584) 3.708 2.578 ( 3.610 0.000 -3.764) 5.215 2.634 ( 0.624 0.000 -0.113) 0.635 2.820 ( 0.493 0.000 0.476) 0.685 2.911 ( -0.123 0.000 1.386) 1.391 2.939 ( 1.801 0.000 -5.547) 5.832 3.429 ( 1.363 0.000 3.261) 3.534 3.441 ( -2.835 0.000 2.350) 3.682 3.601 ( -2.999 0.000 5.728) 6.466 3.762 ( -1.117 0.000 3.388) 3.568 3.991 ( -1.016 0.000 4.861) 4.966 4.238 ( 0.062 0.000 3.652) 3.653 4.247 ( 0.221 0.000 0.744) 0.777 4.418 ( -1.454 0.000 1.202) 1.887 5.079 ( 0.990 0.000 -1.179) 1.539 5.170 ( 1.813 0.000 -0.367) 1.850 5.188 ( 0.472 0.000 -1.380) 1.459 5.333 ( -4.353 0.000 3.499) 5.585 5.372 ( 1.450 0.000 0.511) 1.538 5.405 ( 2.242 0.000 -3.889) 4.489 5.470 ( -1.621 0.000 1.280) 2.066 5.539 ( -1.684 0.000 2.225) 2.791 5.703 ( -4.909 0.000 -1.526) 5.140 5.705 ( 3.648 0.000 1.410) 3.911 5.881 ( 1.468 0.000 -4.910) 5.125 5.952 ( 8.670 0.000 -8.003) 11.799 6.554 ( -0.868 0.000 0.938) 1.278 6.650 ( -0.216 0.000 0.078) 0.230 6.690 ( 0.513 0.000 -1.042) 1.162 6.752 ( -0.475 0.000 -0.413) 0.629 6.860 ( -1.322 0.000 0.709) 1.500 6.930 ( 0.360 0.000 -0.221) 0.422 6.974 ( -0.288 0.000 0.371) 0.469 7.097 ( 0.685 0.000 -0.663) 0.953 ======================= Grid point 52 (20/116) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 7.970 0.000 1.300) 8.076 0.885 ( -0.389 0.000 2.209) 2.243 0.951 ( 1.454 0.000 -0.389) 1.505 1.307 ( -1.140 0.000 -0.639) 1.307 1.401 ( -5.498 0.000 2.045) 5.866 1.496 ( 0.805 0.000 3.117) 3.219 1.600 ( 5.174 0.000 -1.065) 5.283 1.797 ( -2.877 0.000 -7.348) 7.892 1.854 ( -7.635 0.000 0.520) 7.653 1.986 ( 2.350 0.000 -2.175) 3.202 2.024 ( 2.467 0.000 -0.975) 2.653 2.109 ( 4.021 0.000 3.577) 5.382 2.246 ( 3.155 0.000 -1.987) 3.728 2.409 ( 0.595 0.000 1.441) 1.559 2.537 ( 2.017 0.000 -2.285) 3.048 2.637 ( 3.242 0.000 -2.651) 4.187 2.646 ( 0.190 0.000 2.606) 2.613 2.832 ( 0.301 0.000 1.601) 1.629 2.915 ( 0.078 0.000 0.569) 0.575 2.949 ( 2.424 0.000 -6.184) 6.642 3.378 ( -3.262 0.000 -1.680) 3.669 3.411 ( -4.183 0.000 2.603) 4.926 3.554 ( -4.330 0.000 6.584) 7.880 3.726 ( -3.680 0.000 2.002) 4.190 3.994 ( -1.042 0.000 0.765) 1.292 4.227 ( -2.769 0.000 1.227) 3.028 4.234 ( -1.006 0.000 -1.046) 1.451 4.362 ( -3.199 0.000 -1.392) 3.489 5.087 ( 1.039 0.000 -2.247) 2.476 5.197 ( 0.209 0.000 1.437) 1.452 5.209 ( 1.651 0.000 0.669) 1.781 5.247 ( -4.525 0.000 1.635) 4.811 5.408 ( 1.835 0.000 0.297) 1.859 5.428 ( 0.962 0.000 -3.752) 3.873 5.459 ( -0.624 0.000 0.912) 1.104 5.507 ( -2.146 0.000 1.643) 2.702 5.644 ( 0.579 0.000 -1.211) 1.342 5.755 ( 1.006 0.000 -1.206) 1.571 5.914 ( 3.605 0.000 -2.437) 4.352 6.065 ( 6.072 0.000 -5.762) 8.371 6.543 ( -0.616 0.000 0.843) 1.044 6.651 ( -0.010 0.000 0.786) 0.786 6.693 ( 0.288 0.000 -0.809) 0.859 6.742 ( -0.279 0.000 -0.505) 0.577 6.838 ( -1.058 0.000 0.599) 1.216 6.935 ( 0.300 0.000 -0.260) 0.397 6.970 ( -0.228 0.000 0.300) 0.377 7.102 ( 0.213 0.000 -0.363) 0.421 ======================= Grid point 53 (21/116) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -8.825 0.000 -1.713) 8.990 0.809 ( -7.467 0.000 0.912) 7.522 1.001 ( 2.183 0.000 0.408) 2.221 1.303 ( 1.203 0.000 0.150) 1.212 1.353 ( 0.324 0.000 2.165) 2.189 1.607 ( 2.461 0.000 1.894) 3.106 1.623 ( -2.833 0.000 -5.231) 5.948 1.651 ( -1.551 0.000 -4.393) 4.659 1.683 ( -4.344 0.000 0.212) 4.349 1.972 ( -1.319 0.000 -5.039) 5.209 2.094 ( 0.856 0.000 2.657) 2.791 2.260 ( 7.713 0.000 7.691) 10.893 2.323 ( 3.099 0.000 -1.256) 3.344 2.491 ( 5.329 0.000 4.951) 7.274 2.580 ( 2.289 0.000 -2.935) 3.722 2.677 ( 1.763 0.000 0.990) 2.023 2.694 ( 2.388 0.000 5.713) 6.192 2.844 ( -0.326 0.000 1.368) 1.407 2.920 ( -0.157 0.000 0.728) 0.745 2.965 ( 2.379 0.000 -5.834) 6.301 3.300 ( -2.164 0.000 -5.139) 5.576 3.333 ( -2.700 0.000 -1.372) 3.028 3.528 ( -1.276 0.000 5.894) 6.031 3.648 ( -3.664 0.000 -1.317) 3.893 3.939 ( -3.718 0.000 -1.474) 4.000 4.145 ( -4.355 0.000 -1.655) 4.658 4.209 ( -0.571 0.000 -2.197) 2.270 4.296 ( -1.637 0.000 -4.628) 4.909 5.098 ( 0.757 0.000 -0.812) 1.110 5.183 ( -2.060 0.000 0.150) 2.066 5.217 ( 1.044 0.000 1.967) 2.226 5.226 ( -0.290 0.000 -1.199) 1.233 5.420 ( -2.143 0.000 -1.274) 2.493 5.421 ( 1.132 0.000 -0.915) 1.456 5.459 ( 1.170 0.000 2.090) 2.395 5.492 ( -0.108 0.000 -0.837) 0.844 5.682 ( 2.351 0.000 0.720) 2.459 5.748 ( -0.908 0.000 -0.591) 1.083 5.971 ( 2.379 0.000 -0.658) 2.468 6.121 ( 2.022 0.000 -4.239) 4.697 6.541 ( -0.114 0.000 0.852) 0.860 6.657 ( 0.085 0.000 1.170) 1.174 6.693 ( 0.153 0.000 -0.606) 0.625 6.734 ( -0.113 0.000 -0.759) 0.767 6.830 ( 0.098 0.000 0.123) 0.157 6.938 ( 0.034 0.000 -0.179) 0.182 6.969 ( -0.053 0.000 0.257) 0.262 7.106 ( 0.537 0.000 -0.338) 0.635 ======================= Grid point 54 (22/116) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -12.566 0.000 -1.284) 12.631 0.581 ( -13.366 0.000 -1.151) 13.415 0.958 ( -9.542 0.000 8.360) 12.686 1.350 ( 2.909 0.000 0.003) 2.909 1.367 ( -2.900 0.000 3.809) 4.787 1.476 ( -3.879 0.000 -7.097) 8.088 1.557 ( 2.830 0.000 -6.446) 7.040 1.664 ( 0.411 0.000 2.662) 2.694 1.827 ( 7.858 0.000 6.881) 10.445 1.903 ( -2.525 0.000 -2.505) 3.557 2.084 ( -2.310 0.000 1.242) 2.623 2.361 ( 2.044 0.000 -2.369) 3.129 2.478 ( 8.022 0.000 8.536) 11.714 2.568 ( -0.751 0.000 -4.024) 4.094 2.607 ( 2.543 0.000 2.973) 3.912 2.718 ( -0.067 0.000 3.243) 3.244 2.793 ( 3.033 0.000 6.366) 7.051 2.817 ( -2.746 0.000 -1.251) 3.018 2.908 ( -1.336 0.000 1.504) 2.012 2.975 ( 1.653 0.000 -4.396) 4.696 3.256 ( 1.364 0.000 -5.037) 5.219 3.316 ( 3.143 0.000 -6.532) 7.249 3.564 ( 1.136 0.000 4.305) 4.453 3.590 ( 0.096 0.000 -4.271) 4.272 3.879 ( 0.024 0.000 0.358) 0.359 4.061 ( -2.235 0.000 -3.056) 3.786 4.183 ( -0.638 0.000 -1.663) 1.781 4.249 ( 0.304 0.000 -5.877) 5.885 5.102 ( -0.380 0.000 0.469) 0.604 5.158 ( -0.726 0.000 -0.622) 0.956 5.208 ( 0.816 0.000 -3.436) 3.531 5.265 ( 2.216 0.000 2.374) 3.247 5.343 ( -3.918 0.000 -1.549) 4.213 5.465 ( 2.263 0.000 0.902) 2.436 5.480 ( -0.103 0.000 -2.418) 2.420 5.498 ( 1.296 0.000 1.509) 1.990 5.711 ( -3.147 0.000 2.078) 3.771 5.724 ( 0.750 0.000 1.613) 1.779 5.993 ( -0.013 0.000 -0.215) 0.216 6.089 ( -3.121 0.000 -4.411) 5.403 6.547 ( 0.231 0.000 0.885) 0.915 6.666 ( 0.146 0.000 0.940) 0.951 6.694 ( 0.169 0.000 -0.290) 0.335 6.728 ( -0.048 0.000 -1.106) 1.107 6.842 ( 1.070 0.000 -0.320) 1.116 6.935 ( -0.202 0.000 -0.029) 0.204 6.971 ( 0.072 0.000 0.270) 0.279 7.122 ( 1.232 0.000 -0.756) 1.445 ======================= Grid point 55 (23/116) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -10.780 0.000 5.711) 12.199 0.311 ( -11.979 0.000 4.802) 12.906 0.734 ( -18.366 0.000 17.915) 25.656 1.304 ( -3.665 0.000 2.592) 4.489 1.375 ( 0.641 0.000 -5.645) 5.682 1.441 ( 2.355 0.000 1.249) 2.666 1.628 ( 4.960 0.000 -1.933) 5.324 1.712 ( 2.228 0.000 1.896) 2.925 1.835 ( -2.731 0.000 0.348) 2.754 2.003 ( 4.456 0.000 4.042) 6.016 2.038 ( -2.321 0.000 0.538) 2.382 2.378 ( 1.412 0.000 -4.626) 4.836 2.485 ( -2.284 0.000 -8.236) 8.547 2.627 ( -1.327 0.000 2.555) 2.879 2.679 ( -0.327 0.000 4.238) 4.250 2.691 ( 0.987 0.000 8.257) 8.316 2.735 ( -2.923 0.000 -2.971) 4.168 2.839 ( -0.924 0.000 0.781) 1.210 2.896 ( -0.490 0.000 -1.363) 1.448 2.991 ( 1.434 0.000 -3.023) 3.346 3.303 ( 4.489 0.000 -0.933) 4.585 3.360 ( 4.586 0.000 -7.691) 8.955 3.592 ( 0.012 0.000 0.775) 0.775 3.609 ( 3.397 0.000 -3.231) 4.689 3.983 ( 8.014 0.000 0.046) 8.014 4.034 ( 1.902 0.000 -3.725) 4.183 4.190 ( 1.824 0.000 2.131) 2.805 4.254 ( 2.947 0.000 -3.579) 4.636 5.088 ( -1.161 0.000 0.386) 1.224 5.141 ( -0.397 0.000 -0.391) 0.557 5.231 ( 3.156 0.000 -3.749) 4.900 5.264 ( -2.596 0.000 -1.193) 2.857 5.319 ( 1.078 0.000 3.185) 3.362 5.437 ( -1.692 0.000 -6.077) 6.308 5.513 ( 0.439 0.000 2.990) 3.022 5.526 ( 0.863 0.000 0.838) 1.203 5.649 ( -4.315 0.000 3.626) 5.636 5.715 ( -2.970 0.000 0.563) 3.022 5.935 ( -8.753 0.000 -3.470) 9.416 5.973 ( -1.522 0.000 -0.630) 1.647 6.558 ( 0.257 0.000 0.887) 0.924 6.672 ( -0.033 0.000 0.391) 0.392 6.696 ( -0.002 0.000 -0.285) 0.285 6.724 ( 0.558 0.000 -0.767) 0.948 6.864 ( 1.137 0.000 -0.412) 1.209 6.930 ( -0.288 0.000 0.099) 0.304 6.974 ( 0.062 0.000 0.343) 0.349 7.137 ( 0.469 0.000 -2.260) 2.308 ======================= Grid point 56 (24/116) ======================= q-point: ( 0.00 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -8.673 10.543 2.904) 13.957 0.479 ( -5.955 9.310 14.146) 17.951 0.662 ( -0.751 11.160 16.418) 19.866 1.244 ( -2.403 -3.284 2.689) 4.877 1.346 ( -0.186 -2.373 -1.501) 2.814 1.450 ( 2.415 -3.595 -0.402) 4.349 1.647 ( -2.143 -1.732 -1.789) 3.285 1.823 ( -1.268 2.839 -1.093) 3.296 1.864 ( 2.523 5.447 5.073) 7.859 1.999 ( -5.343 -1.873 -2.557) 6.213 2.046 ( -0.184 4.248 -0.811) 4.329 2.357 ( 1.381 -1.895 -5.457) 5.939 2.390 ( -1.729 -2.779 -5.272) 6.206 2.463 ( -0.659 -8.987 -2.390) 9.323 2.599 ( -4.782 -2.027 -4.871) 7.121 2.632 ( -5.819 -4.511 -4.394) 8.574 2.759 ( 4.461 3.231 2.048) 5.877 2.835 ( 3.539 1.249 6.612) 7.603 2.904 ( 1.225 -2.257 -1.296) 2.877 3.028 ( 1.815 5.544 1.683) 6.072 3.332 ( -3.388 -0.309 1.257) 3.627 3.392 ( 3.757 -0.319 -0.738) 3.842 3.542 ( 1.704 0.031 1.934) 2.577 3.686 ( 2.785 0.926 -0.466) 2.971 3.966 ( -0.028 -1.912 4.079) 4.505 4.108 ( 3.770 0.312 -1.621) 4.115 4.175 ( 0.260 -0.036 2.602) 2.615 4.349 ( 3.486 0.957 -1.781) 4.029 5.076 ( -0.405 0.484 -0.295) 0.697 5.126 ( -0.054 -0.673 -0.096) 0.682 5.236 ( -1.066 0.864 -1.219) 1.835 5.280 ( 2.241 0.359 -3.397) 4.085 5.383 ( -1.699 2.350 -0.584) 2.958 5.465 ( 6.510 -0.862 0.595) 6.594 5.508 ( -2.425 -0.432 3.358) 4.165 5.554 ( -0.627 -0.551 2.049) 2.212 5.626 ( -2.242 3.013 1.446) 4.025 5.652 ( 0.349 0.008 -0.035) 0.351 5.815 ( -1.613 -1.227 1.738) 2.669 5.922 ( -1.421 -1.294 -1.530) 2.456 6.571 ( -0.083 0.384 0.806) 0.897 6.658 ( -0.347 -0.876 -0.187) 0.961 6.684 ( 0.164 -0.394 -0.608) 0.743 6.714 ( 1.033 -2.477 -0.032) 2.684 6.892 ( 0.329 1.060 -0.699) 1.312 6.935 ( -0.142 0.806 0.281) 0.865 6.998 ( 0.284 1.116 -0.605) 1.301 7.076 ( -1.364 -1.209 0.407) 1.868 ======================= Grid point 57 (25/116) ======================= q-point: ( 0.14 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 9.997 -4.198 10.130) 14.839 0.486 ( 2.169 5.124 12.429) 13.618 0.822 ( 5.397 6.213 7.689) 11.263 1.232 ( 0.190 -5.704 2.467) 6.218 1.334 ( -0.295 -2.033 0.202) 2.064 1.506 ( 2.618 -6.272 -0.897) 6.855 1.595 ( -1.954 -5.172 2.003) 5.880 1.733 ( -4.617 0.644 -3.203) 5.657 1.802 ( -8.233 -7.986 -7.317) 13.605 1.983 ( 2.857 9.286 8.093) 12.645 2.049 ( 1.144 4.634 -0.894) 4.856 2.240 ( -8.309 -12.312 -9.836) 17.815 2.348 ( 0.734 -0.049 -6.392) 6.435 2.434 ( -1.548 -3.868 -4.920) 6.447 2.537 ( 0.862 -0.625 -1.806) 2.097 2.582 ( 2.357 1.147 1.216) 2.890 2.853 ( 1.968 7.704 1.335) 8.063 2.895 ( 0.676 8.235 2.118) 8.530 2.910 ( 0.158 -1.501 -3.594) 3.898 3.040 ( -0.225 9.813 -0.054) 9.816 3.312 ( 0.753 -1.801 3.598) 4.093 3.463 ( 2.039 0.509 2.366) 3.165 3.596 ( 1.159 0.019 3.676) 3.855 3.740 ( 1.745 0.391 1.923) 2.626 3.966 ( -2.259 -1.737 6.062) 6.699 4.179 ( 2.143 -2.856 1.896) 4.043 4.214 ( 1.937 1.777 2.115) 3.374 4.405 ( 1.910 0.187 0.617) 2.016 5.069 ( 0.240 0.548 -0.289) 0.664 5.133 ( 0.812 -0.944 -0.399) 1.307 5.213 ( -0.015 1.229 -2.712) 2.977 5.310 ( 2.397 -0.745 -2.211) 3.345 5.364 ( -0.753 1.079 1.532) 2.019 5.451 ( -3.747 0.234 2.313) 4.410 5.506 ( -3.054 -0.884 1.702) 3.606 5.556 ( -0.889 -0.425 1.317) 1.644 5.634 ( 3.354 1.232 1.208) 3.771 5.743 ( 4.646 -4.291 -5.006) 8.066 5.793 ( 1.214 -0.954 -0.713) 1.701 5.891 ( -0.118 -0.869 -3.418) 3.529 6.568 ( -0.633 0.376 0.992) 1.236 6.653 ( -0.130 -0.531 -0.097) 0.555 6.686 ( 0.428 -0.016 -0.831) 0.935 6.731 ( 0.401 -2.414 -0.030) 2.448 6.888 ( -0.371 0.962 -0.406) 1.108 6.935 ( 0.002 0.769 0.148) 0.783 6.990 ( -0.537 0.939 -0.018) 1.082 7.074 ( 0.794 -0.612 -0.124) 1.010 ======================= Grid point 58 (26/116) ======================= q-point: ( 0.29 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 12.755 2.160 1.482) 13.021 0.679 ( 8.972 -4.631 9.967) 14.187 0.916 ( 1.400 -0.025 2.268) 2.666 1.255 ( -0.887 -6.877 2.114) 7.249 1.369 ( 3.704 -3.278 2.412) 5.503 1.489 ( -3.312 -4.335 -3.228) 6.339 1.583 ( -4.668 -4.947 0.702) 6.838 1.641 ( -0.880 -12.557 1.283) 12.653 1.668 ( 0.955 -4.116 -3.260) 5.337 1.967 ( -7.050 -8.834 -6.164) 12.873 2.077 ( 1.545 3.444 -0.523) 3.811 2.138 ( 4.020 5.910 2.978) 7.744 2.292 ( -2.096 0.119 -6.711) 7.032 2.397 ( 0.171 -0.618 -2.462) 2.544 2.570 ( 3.462 -0.374 -2.981) 4.584 2.662 ( 2.367 6.650 3.557) 7.904 2.787 ( -5.071 11.963 -3.628) 13.490 2.904 ( 2.126 -0.523 -3.312) 3.971 2.955 ( 1.850 9.501 0.880) 9.720 3.022 ( -0.646 9.405 -1.363) 9.525 3.340 ( -1.439 -5.153 4.584) 7.046 3.497 ( -0.144 1.571 1.494) 2.173 3.607 ( -2.575 0.763 4.811) 5.510 3.763 ( -1.020 -0.212 2.700) 2.894 3.958 ( -1.365 -2.752 4.987) 5.858 4.193 ( -1.216 -4.124 0.402) 4.318 4.262 ( 0.807 1.176 3.587) 3.860 4.412 ( -1.819 -0.824 0.680) 2.110 5.080 ( 0.873 0.189 -0.942) 1.298 5.156 ( 1.570 -1.225 -0.155) 1.997 5.206 ( 0.582 1.424 -1.230) 1.970 5.328 ( -4.530 -0.133 3.497) 5.724 5.352 ( 2.392 -1.297 -0.887) 2.862 5.418 ( 0.740 0.674 -2.533) 2.724 5.465 ( -1.251 -0.519 1.106) 1.749 5.531 ( -2.168 -0.872 1.646) 2.858 5.683 ( -3.280 -1.445 -1.193) 3.778 5.716 ( 3.121 0.708 0.318) 3.216 5.881 ( 2.031 -0.028 -4.336) 4.788 5.921 ( 8.387 -2.499 -6.032) 10.629 6.558 ( -0.829 0.453 1.005) 1.379 6.650 ( -0.211 -0.175 0.407) 0.491 6.690 ( 0.436 0.057 -0.824) 0.934 6.731 ( -0.215 -1.649 -0.010) 1.664 6.874 ( -0.836 1.208 -0.156) 1.477 6.937 ( 0.197 0.551 -0.142) 0.602 6.983 ( -0.273 0.878 0.295) 0.966 7.089 ( 0.634 -0.747 -0.461) 1.083 ======================= Grid point 59 (27/116) ======================= q-point: ( 0.43 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 7.100 3.333 1.547) 7.995 0.866 ( 2.378 -1.634 3.378) 4.442 0.926 ( 0.349 -2.062 -0.381) 2.126 1.211 ( -2.226 -7.082 0.333) 7.431 1.422 ( -1.229 -1.005 0.745) 1.754 1.464 ( 0.924 -4.694 3.690) 6.041 1.505 ( 0.076 -9.876 -1.476) 9.986 1.580 ( -3.349 -9.569 -5.261) 11.422 1.767 ( 3.917 -8.443 8.462) 12.579 1.883 ( 2.893 -6.084 -3.902) 7.786 2.093 ( -0.095 1.034 -1.427) 1.765 2.179 ( -0.949 2.453 -3.592) 4.452 2.306 ( 5.630 6.660 4.181) 9.671 2.401 ( 0.842 0.289 0.466) 1.005 2.610 ( -2.342 5.624 -5.434) 8.164 2.634 ( 1.453 2.849 -4.189) 5.271 2.756 ( 0.845 7.200 4.208) 8.382 2.926 ( 1.261 0.171 -6.623) 6.744 2.930 ( -1.093 7.152 -1.799) 7.455 3.056 ( 2.238 11.363 2.867) 11.931 3.300 ( -3.746 -4.759 1.467) 6.231 3.459 ( -3.730 1.417 -0.246) 3.998 3.559 ( -4.221 1.039 5.007) 6.631 3.731 ( -3.170 -0.039 1.675) 3.586 3.957 ( -1.287 -3.114 1.566) 3.716 4.153 ( -1.842 -4.945 -0.813) 5.339 4.269 ( -2.100 1.146 0.760) 2.510 4.354 ( -2.756 -0.901 -0.728) 2.989 5.089 ( 0.837 0.213 -1.507) 1.737 5.187 ( 1.021 -1.226 1.037) 1.903 5.216 ( -0.261 0.696 0.896) 1.164 5.257 ( -3.092 1.193 1.875) 3.807 5.384 ( 1.240 -2.075 -1.552) 2.873 5.421 ( 0.824 0.202 -1.229) 1.493 5.470 ( -0.692 -0.151 0.229) 0.744 5.486 ( -1.364 -1.805 1.559) 2.747 5.647 ( 0.817 0.478 -1.642) 1.895 5.762 ( 1.446 0.376 -0.967) 1.780 5.917 ( 3.287 0.360 -2.699) 4.268 6.038 ( 5.732 -2.427 -4.942) 7.948 6.549 ( -0.625 0.545 0.938) 1.253 6.649 ( -0.240 -0.318 0.871) 0.958 6.693 ( 0.191 -0.014 -0.657) 0.684 6.725 ( -0.274 -1.210 -0.153) 1.250 6.857 ( -0.558 1.639 -0.208) 1.744 6.940 ( 0.183 0.306 -0.294) 0.462 6.981 ( -0.128 1.050 0.296) 1.098 7.094 ( 0.199 -0.720 -0.312) 0.810 ======================= Grid point 60 (28/116) ======================= q-point: (-0.43 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -11.419 -2.019 -0.399) 11.603 0.860 ( -4.515 2.890 1.353) 5.529 1.005 ( 2.693 0.432 1.537) 3.130 1.239 ( 3.467 -4.252 3.333) 6.419 1.386 ( -2.924 -0.254 0.463) 2.971 1.419 ( -1.588 -7.673 -4.761) 9.169 1.550 ( 1.563 -8.897 1.784) 9.208 1.609 ( 5.912 -0.623 5.883) 8.363 1.832 ( -1.864 2.673 0.274) 3.270 1.936 ( 1.873 -1.834 -0.757) 2.729 2.090 ( 1.330 -1.677 -0.190) 2.149 2.192 ( 2.781 -3.096 2.701) 4.961 2.417 ( 2.578 3.755 1.800) 4.898 2.476 ( 4.740 0.902 6.404) 8.018 2.526 ( -0.108 0.042 -5.240) 5.241 2.656 ( 0.810 -0.162 -2.421) 2.558 2.790 ( 0.432 4.413 1.475) 4.673 2.870 ( -1.763 6.721 -1.643) 7.140 2.939 ( 1.643 -1.819 -5.124) 5.680 3.090 ( -0.664 8.747 -0.893) 8.818 3.237 ( -1.770 -2.748 -0.066) 3.269 3.368 ( -3.199 0.686 -4.021) 5.184 3.517 ( -1.839 0.103 2.937) 3.467 3.666 ( -2.891 0.753 -0.799) 3.093 3.908 ( -3.220 -2.372 -0.466) 4.026 4.125 ( -0.696 -3.251 -1.524) 3.658 4.190 ( -3.548 0.050 -2.590) 4.393 4.316 ( -0.717 1.055 -2.594) 2.891 5.100 ( 0.560 0.182 -0.269) 0.647 5.187 ( -1.541 0.519 -0.151) 1.633 5.201 ( -0.145 -1.648 -0.039) 1.655 5.245 ( 0.377 1.818 1.213) 2.217 5.395 ( -0.737 -1.345 -0.522) 1.620 5.417 ( 0.221 -0.864 -1.410) 1.669 5.454 ( 1.114 -0.173 1.447) 1.834 5.505 ( 0.593 0.421 0.628) 0.961 5.673 ( 1.693 -0.191 -0.305) 1.731 5.772 ( -0.099 1.461 -0.109) 1.468 5.963 ( 1.902 -0.753 -1.259) 2.402 6.085 ( 1.067 -3.053 -3.326) 4.640 6.546 ( -0.150 0.509 0.888) 1.034 6.651 ( -0.107 -0.709 1.007) 1.237 6.691 ( 0.009 -0.305 -0.560) 0.638 6.719 ( -0.211 -1.049 -0.446) 1.159 6.853 ( 0.334 1.910 -0.471) 1.996 6.941 ( 0.051 0.224 -0.266) 0.351 6.981 ( -0.057 1.099 0.270) 1.133 7.097 ( 0.310 -0.872 -0.307) 0.975 ======================= Grid point 61 (29/116) ======================= q-point: (-0.29 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -11.077 1.738 4.415) 12.051 0.710 ( -9.853 6.735 0.234) 11.937 0.993 ( -6.966 2.653 7.218) 10.376 1.316 ( -3.201 -3.827 2.932) 5.787 1.321 ( 1.694 -2.336 0.792) 2.993 1.424 ( 1.890 -1.430 -0.436) 2.410 1.599 ( 2.863 -3.473 3.302) 5.582 1.712 ( -0.627 8.133 -6.303) 10.308 1.831 ( 6.182 1.063 5.081) 8.072 1.933 ( -1.650 1.201 0.897) 2.229 2.102 ( -0.787 1.120 0.477) 1.450 2.282 ( 3.768 -5.632 1.087) 6.863 2.488 ( 3.124 -1.157 1.890) 3.830 2.528 ( 0.298 -4.287 0.541) 4.332 2.593 ( 2.041 -0.884 4.756) 5.250 2.675 ( 2.387 -2.309 3.120) 4.557 2.759 ( -2.149 0.798 -1.859) 2.951 2.839 ( -1.806 2.187 -1.695) 3.304 2.937 ( -0.426 -1.500 -3.674) 3.991 3.013 ( -2.819 2.678 -5.101) 6.414 3.247 ( 2.256 0.693 -0.178) 2.367 3.314 ( 1.242 -1.226 -6.801) 7.021 3.518 ( 0.881 -1.181 -0.031) 1.474 3.628 ( 0.378 0.977 -3.015) 3.192 3.863 ( -0.375 -0.654 0.773) 1.080 4.089 ( -1.280 1.990 -2.376) 3.353 4.144 ( 0.213 -2.379 -1.875) 3.037 4.288 ( 0.197 2.312 -4.389) 4.965 5.103 ( -0.391 0.150 0.426) 0.597 5.160 ( -1.163 -0.050 -0.408) 1.234 5.197 ( 1.140 -0.643 -2.622) 2.931 5.279 ( 1.717 0.748 1.244) 2.248 5.340 ( -2.276 0.495 -0.894) 2.495 5.464 ( 2.555 -0.146 1.318) 2.879 5.481 ( 0.510 -0.222 -0.117) 0.569 5.511 ( 0.210 1.072 0.236) 1.117 5.694 ( -0.332 -0.449 1.261) 1.379 5.756 ( -1.798 1.841 1.905) 3.201 5.972 ( -0.494 -2.177 -1.102) 2.490 6.039 ( -4.123 -3.621 -1.726) 5.753 6.552 ( 0.236 0.424 0.853) 0.981 6.656 ( 0.133 -0.950 0.769) 1.229 6.688 ( 0.058 -0.644 -0.429) 0.776 6.710 ( -0.279 -1.222 -0.835) 1.506 6.864 ( 1.066 1.844 -0.707) 2.244 6.939 ( -0.077 0.360 -0.098) 0.381 6.982 ( 0.120 1.019 0.253) 1.057 7.104 ( 0.461 -1.515 -0.471) 1.652 ======================= Grid point 62 (30/116) ======================= q-point: (-0.14 0.17 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -1.189 11.107 11.625) 16.122 0.488 ( -11.282 11.171 -0.015) 15.877 0.808 ( -15.845 6.830 14.210) 22.353 1.277 ( -2.427 -2.824 3.351) 5.009 1.349 ( 0.841 -3.887 -0.126) 3.979 1.433 ( -0.325 0.775 -1.273) 1.526 1.676 ( 1.442 4.139 -5.494) 7.028 1.713 ( 4.813 2.448 5.587) 7.770 1.892 ( -1.667 3.301 0.049) 3.698 1.995 ( 4.388 -0.290 3.831) 5.833 2.072 ( -1.523 2.721 -1.041) 3.287 2.341 ( 2.439 -3.568 -2.696) 5.094 2.472 ( -2.221 -1.920 -5.772) 6.475 2.527 ( -3.378 -7.132 -1.759) 8.085 2.634 ( 0.983 -2.124 7.408) 7.769 2.705 ( 0.251 1.204 3.833) 4.026 2.753 ( -2.685 -7.608 -3.765) 8.903 2.829 ( -5.618 -0.513 -5.081) 7.592 2.837 ( 4.687 1.591 4.751) 6.861 2.989 ( 1.089 -1.489 -3.010) 3.530 3.297 ( 2.959 -0.738 0.231) 3.058 3.353 ( 4.813 -0.449 -5.454) 7.288 3.533 ( -0.090 -1.783 -0.016) 1.785 3.641 ( 2.693 0.974 -3.813) 4.768 3.909 ( 3.115 -2.031 2.339) 4.393 4.070 ( 1.277 2.673 -3.464) 4.557 4.158 ( 0.658 -1.944 1.720) 2.678 4.294 ( 3.045 1.886 -3.966) 5.344 5.088 ( -1.005 0.079 0.288) 1.049 5.136 ( -0.817 -0.350 -0.313) 0.943 5.223 ( 2.780 -0.209 -2.920) 4.038 5.280 ( -0.550 0.611 -1.849) 2.024 5.351 ( 2.005 2.316 2.948) 4.252 5.456 ( -1.539 1.168 -3.918) 4.369 5.518 ( 0.538 0.428 3.038) 3.115 5.525 ( 1.212 -0.308 0.439) 1.326 5.663 ( -3.305 1.200 2.805) 4.497 5.722 ( -3.283 0.752 1.262) 3.597 5.886 ( -6.550 -3.193 -0.464) 7.301 5.962 ( -2.108 -1.377 -0.005) 2.518 6.563 ( 0.330 0.378 0.786) 0.932 6.662 ( 0.024 -0.921 0.379) 0.996 6.687 ( -0.071 -0.761 -0.443) 0.883 6.702 ( 0.159 -1.750 -0.695) 1.890 6.883 ( 1.006 1.492 -0.820) 1.978 6.937 ( -0.152 0.621 0.148) 0.656 6.989 ( 0.471 1.084 0.029) 1.183 7.103 ( -0.554 -2.341 -0.548) 2.467 ======================= Grid point 63 (31/116) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -7.242 13.704 -3.399) 15.868 0.682 ( -5.864 10.829 10.493) 16.179 0.833 ( -1.738 3.692 5.835) 7.120 1.115 ( -3.610 -9.144 5.465) 11.247 1.309 ( -0.781 0.558 1.627) 1.889 1.425 ( -0.723 -0.542 -0.538) 1.052 1.652 ( -5.599 2.711 -7.341) 9.622 1.849 ( -5.676 -0.656 -5.931) 8.235 1.903 ( -6.154 -2.373 -7.434) 9.938 2.024 ( 3.411 5.858 7.531) 10.132 2.107 ( 0.089 -2.584 -3.762) 4.565 2.218 ( -3.407 -5.219 -3.662) 7.229 2.353 ( 1.101 -1.400 -2.957) 3.452 2.387 ( 0.748 -1.157 -3.652) 3.903 2.549 ( -0.310 -2.177 0.682) 2.303 2.568 ( -1.155 -0.595 -0.822) 1.537 2.801 ( 5.096 -3.548 7.719) 9.907 2.831 ( 0.468 -3.566 -0.740) 3.672 2.867 ( 5.409 6.080 3.127) 8.718 3.079 ( 6.452 -1.282 7.665) 10.101 3.355 ( -0.104 1.972 1.359) 2.397 3.396 ( 3.673 0.458 -2.029) 4.222 3.573 ( 1.776 3.005 -0.367) 3.510 3.690 ( 2.841 -0.910 -1.344) 3.272 3.964 ( -0.078 1.428 2.444) 2.832 4.079 ( 0.968 -2.882 0.115) 3.042 4.214 ( 2.453 3.587 -1.081) 4.478 4.344 ( 2.985 -1.457 -2.127) 3.944 5.084 ( -0.409 0.459 0.414) 0.741 5.112 ( -0.553 -0.795 0.506) 1.092 5.255 ( 0.794 0.978 -3.273) 3.507 5.283 ( 1.891 -0.157 -3.961) 4.392 5.416 ( -1.490 1.286 0.220) 1.980 5.460 ( 1.988 -0.236 0.771) 2.145 5.502 ( -1.975 0.091 2.402) 3.111 5.539 ( -1.130 -0.931 3.188) 3.508 5.660 ( -1.927 0.909 0.091) 2.132 5.681 ( -1.335 1.877 0.668) 2.398 5.792 ( -1.774 -0.380 1.788) 2.547 5.881 ( -1.389 -2.700 -0.269) 3.048 6.581 ( -0.091 0.770 0.937) 1.216 6.636 ( -0.205 -1.450 0.402) 1.519 6.670 ( 0.417 -0.934 -0.339) 1.078 6.675 ( 0.759 -1.051 -0.103) 1.300 6.917 ( 0.235 1.340 -1.064) 1.727 6.948 ( -0.073 0.226 0.025) 0.239 7.014 ( 0.051 0.716 -0.166) 0.737 7.052 ( -0.285 -1.121 0.268) 1.187 ======================= Grid point 64 (32/116) ======================= q-point: ( 0.14 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -1.669 11.746 0.878) 11.897 0.660 ( 0.307 10.348 7.734) 12.922 0.854 ( -0.002 -3.633 0.624) 3.687 1.085 ( -1.096 -8.786 2.887) 9.313 1.299 ( -0.874 -0.888 0.348) 1.294 1.419 ( 0.581 -2.389 -1.091) 2.690 1.500 ( -6.294 -3.833 -3.321) 8.083 1.638 ( -8.390 -7.227 -10.734) 15.422 1.747 ( -4.656 1.169 -3.816) 6.132 1.963 ( -7.897 -10.675 -7.887) 15.444 2.126 ( 1.844 4.601 1.421) 5.157 2.182 ( 1.253 4.515 0.899) 4.771 2.346 ( -0.907 -1.215 -5.140) 5.359 2.386 ( 2.666 -1.175 -3.292) 4.396 2.546 ( 0.691 2.635 -1.698) 3.209 2.652 ( 5.577 5.001 7.633) 10.694 2.825 ( 1.182 -3.822 -2.978) 4.987 2.984 ( 5.566 -1.993 8.307) 10.196 3.031 ( 6.511 8.706 6.029) 12.432 3.199 ( 0.784 4.948 4.303) 6.604 3.312 ( -2.696 2.363 -0.623) 3.639 3.460 ( 1.499 -1.446 2.210) 3.037 3.608 ( 1.610 2.094 1.167) 2.888 3.734 ( 1.108 -1.529 1.054) 2.162 3.947 ( -2.539 0.649 3.373) 4.271 4.099 ( 0.236 -4.779 0.791) 4.849 4.262 ( 1.791 2.955 1.089) 3.623 4.387 ( 1.377 -2.112 -0.426) 2.557 5.080 ( -0.045 0.526 0.141) 0.546 5.111 ( 0.295 -1.108 0.235) 1.171 5.243 ( 0.473 1.711 -3.470) 3.898 5.297 ( 1.499 -0.708 -3.080) 3.498 5.388 ( -1.742 1.402 1.843) 2.898 5.448 ( -2.493 -0.852 1.794) 3.187 5.492 ( -2.363 -0.078 1.055) 2.589 5.536 ( -0.553 -1.488 1.543) 2.214 5.650 ( 2.614 0.412 -1.285) 2.941 5.693 ( 0.850 -1.191 -1.325) 1.974 5.785 ( 1.731 0.702 -0.043) 1.868 5.862 ( 0.300 -1.892 -1.809) 2.635 6.580 ( -0.541 0.876 1.075) 1.489 6.636 ( -0.155 -1.303 0.777) 1.526 6.681 ( 0.724 -0.392 -0.244) 0.859 6.693 ( 0.828 -1.051 0.009) 1.338 6.912 ( -0.117 1.307 -1.021) 1.662 6.945 ( -0.123 0.054 -0.181) 0.225 7.010 ( -0.294 1.091 0.110) 1.135 7.057 ( 0.536 -1.055 0.052) 1.185 ======================= Grid point 65 (33/116) ======================= q-point: ( 0.29 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 11.808 -0.771 7.155) 13.828 0.764 ( 5.767 5.920 3.510) 8.979 0.859 ( 1.709 -5.003 -0.676) 5.330 1.105 ( 0.902 -7.601 1.968) 7.904 1.263 ( -3.279 -5.138 -1.791) 6.353 1.372 ( -2.922 -11.521 -3.918) 12.515 1.408 ( -1.791 -3.112 -1.992) 4.106 1.470 ( -3.502 -5.116 -1.253) 6.325 1.666 ( -1.739 0.991 -1.000) 2.237 1.787 ( -4.427 -6.679 -5.257) 9.584 2.132 ( -0.003 2.546 -1.465) 2.938 2.216 ( 0.186 -0.353 -1.293) 1.353 2.338 ( 2.511 4.331 0.136) 5.008 2.418 ( 2.073 1.466 -3.059) 3.976 2.574 ( 2.783 1.846 -1.945) 3.865 2.777 ( 2.572 -1.389 1.591) 3.328 2.848 ( 1.632 5.031 1.413) 5.475 3.050 ( -1.893 9.055 0.233) 9.254 3.175 ( 3.552 9.849 4.384) 11.351 3.208 ( 0.317 5.610 -0.094) 5.619 3.242 ( -3.641 -1.189 2.561) 4.608 3.486 ( -0.388 -2.963 1.495) 3.341 3.630 ( -1.050 1.589 2.661) 3.272 3.735 ( -1.627 -2.685 1.850) 3.645 3.921 ( -1.874 0.004 3.856) 4.287 4.085 ( -1.759 -6.258 -0.317) 6.508 4.289 ( -0.314 1.528 3.183) 3.545 4.379 ( -2.156 -2.375 0.478) 3.243 5.087 ( 0.648 0.470 -0.377) 0.885 5.126 ( 1.007 -1.543 0.366) 1.878 5.240 ( 0.533 1.874 -1.159) 2.267 5.314 ( 0.121 -1.598 0.274) 1.626 5.353 ( -1.819 1.585 0.731) 2.521 5.422 ( -0.461 -0.442 -0.414) 0.762 5.454 ( -1.068 -0.289 0.055) 1.108 5.500 ( -3.105 -2.115 0.863) 3.855 5.668 ( -0.162 0.275 -1.785) 1.813 5.719 ( 2.708 -0.673 -1.476) 3.157 5.877 ( 5.839 -0.713 -3.462) 6.826 5.881 ( 3.873 -0.739 -2.534) 4.687 6.574 ( -0.702 1.099 1.187) 1.763 6.635 ( -0.445 -1.383 1.148) 1.852 6.692 ( 0.483 0.146 -0.372) 0.627 6.705 ( 0.339 -0.757 -0.039) 0.831 6.902 ( -0.262 1.502 -0.934) 1.788 6.942 ( 0.021 -0.197 -0.462) 0.503 7.008 ( -0.030 1.532 0.310) 1.563 7.069 ( 0.490 -1.261 -0.134) 1.360 ======================= Grid point 66 (34/116) ======================= q-point: ( 0.43 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 7.972 -1.906 6.023) 10.172 0.878 ( -0.783 -2.108 2.908) 3.676 0.928 ( 6.348 4.186 -0.830) 7.649 1.086 ( -1.849 -3.483 2.422) 4.628 1.220 ( 1.349 -11.755 1.665) 11.949 1.333 ( 0.044 -6.390 -3.998) 7.537 1.396 ( 1.616 -6.680 2.786) 7.416 1.435 ( -1.073 -4.867 4.229) 6.536 1.672 ( 1.807 -1.053 2.432) 3.207 1.755 ( 2.897 -5.155 -0.635) 5.947 2.120 ( -0.253 1.925 -2.481) 3.150 2.193 ( -0.305 -0.833 -3.234) 3.354 2.419 ( 3.427 3.405 1.852) 5.174 2.437 ( 1.262 3.008 0.102) 3.263 2.623 ( 2.775 0.897 -1.939) 3.502 2.767 ( -2.551 -0.048 -5.467) 6.033 2.859 ( -1.508 6.163 2.175) 6.708 3.005 ( -0.589 10.463 -3.321) 10.993 3.107 ( -4.406 4.418 -4.411) 7.641 3.209 ( -2.192 -0.218 -0.150) 2.208 3.281 ( 1.425 7.989 4.217) 9.145 3.443 ( -3.593 -2.967 -2.160) 5.136 3.596 ( -3.360 2.124 2.703) 4.807 3.701 ( -2.492 -3.049 1.315) 4.152 3.909 ( -1.551 -0.780 2.575) 3.105 4.039 ( -1.635 -6.060 -0.988) 6.353 4.282 ( -2.526 0.365 1.299) 2.864 4.326 ( -1.957 -1.732 0.929) 2.774 5.097 ( 0.597 0.636 -0.262) 0.911 5.150 ( 0.668 -2.041 1.232) 2.475 5.242 ( -0.848 1.695 0.521) 1.966 5.282 ( -1.947 0.732 1.590) 2.619 5.356 ( 1.413 -0.292 -1.296) 1.939 5.418 ( -0.459 -1.198 -0.828) 1.527 5.442 ( -1.665 -1.073 0.454) 2.032 5.460 ( 1.140 -1.168 1.249) 2.055 5.670 ( 1.379 1.803 -2.307) 3.236 5.755 ( 1.823 -1.306 -1.613) 2.762 5.929 ( 3.047 0.802 -2.717) 4.160 5.986 ( 4.846 -2.331 -3.177) 6.246 6.566 ( -0.660 1.227 1.157) 1.811 6.631 ( -0.628 -1.503 1.265) 2.063 6.694 ( -0.056 0.186 -0.667) 0.695 6.708 ( 0.020 -0.512 -0.165) 0.538 6.894 ( 0.003 1.837 -0.911) 2.050 6.941 ( 0.154 -0.325 -0.577) 0.679 7.010 ( -0.022 1.697 0.271) 1.718 7.074 ( 0.146 -1.292 -0.169) 1.311 ======================= Grid point 67 (35/116) ======================= q-point: (-0.43 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -9.533 3.542 3.862) 10.878 0.894 ( -2.296 -0.358 2.466) 3.389 1.038 ( 1.903 3.419 1.620) 4.235 1.172 ( 5.313 -1.638 8.016) 9.755 1.274 ( 0.082 -4.076 2.913) 5.010 1.337 ( 2.083 -9.099 0.335) 9.340 1.428 ( 2.265 -0.579 3.257) 4.009 1.567 ( 8.090 -4.667 9.684) 13.454 1.758 ( 3.871 -3.737 5.652) 7.804 1.866 ( 6.320 -6.906 2.613) 9.719 2.089 ( -0.789 3.102 -4.370) 5.417 2.178 ( 0.335 -0.329 -1.704) 1.768 2.442 ( 0.120 1.544 2.429) 2.881 2.511 ( 2.470 0.230 3.106) 3.975 2.619 ( -4.753 6.141 -7.062) 10.497 2.666 ( -0.113 1.951 -1.304) 2.349 2.861 ( 1.409 -1.395 -1.641) 2.573 2.948 ( -2.216 8.301 -7.612) 11.479 2.985 ( -5.270 -0.769 -5.839) 7.903 3.144 ( -2.770 2.461 -3.095) 4.828 3.292 ( -1.657 4.115 1.674) 4.742 3.341 ( -3.498 -2.925 -5.428) 7.089 3.546 ( -1.979 2.313 0.179) 3.049 3.652 ( -2.225 -2.208 -0.842) 3.246 3.881 ( -1.558 0.347 0.915) 1.840 4.028 ( 0.820 -5.641 -1.110) 5.808 4.218 ( -2.644 2.341 -0.406) 3.554 4.317 ( -0.094 -1.112 -0.312) 1.159 5.108 ( 0.330 0.705 0.463) 0.905 5.159 ( -0.374 -1.935 0.695) 2.090 5.212 ( -1.175 1.633 -0.693) 2.128 5.272 ( -0.229 0.280 0.934) 1.001 5.377 ( -0.731 -0.331 -0.652) 1.034 5.399 ( 2.064 -0.710 -0.163) 2.189 5.455 ( 1.001 0.350 1.541) 1.871 5.498 ( 1.312 -1.022 1.779) 2.435 5.688 ( 1.272 1.659 -1.344) 2.486 5.778 ( 0.956 -1.216 -0.720) 1.706 5.954 ( 0.502 0.334 -1.727) 1.829 6.024 ( 0.096 -2.734 -1.639) 3.189 6.562 ( -0.315 1.141 0.981) 1.537 6.627 ( -0.418 -1.669 1.124) 2.055 6.685 ( -0.308 -0.032 -0.866) 0.920 6.703 ( -0.288 -0.626 -0.527) 0.868 6.893 ( 0.509 1.986 -0.931) 2.252 6.941 ( 0.209 -0.283 -0.526) 0.633 7.009 ( -0.156 1.645 0.217) 1.667 7.074 ( -0.023 -1.401 -0.210) 1.417 ======================= Grid point 68 (36/116) ======================= q-point: (-0.29 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -4.964 9.080 8.470) 13.373 0.819 ( -5.895 3.244 2.285) 7.106 1.031 ( -3.804 1.418 5.953) 7.206 1.231 ( -4.800 -5.492 5.303) 9.018 1.296 ( 1.631 0.787 3.158) 3.641 1.399 ( 2.208 -1.748 3.029) 4.136 1.578 ( 8.731 2.849 8.123) 12.261 1.794 ( 7.846 0.434 6.663) 10.302 1.864 ( 2.877 -2.086 6.116) 7.073 1.951 ( -0.549 2.331 -2.606) 3.539 2.080 ( 2.975 -2.913 -0.673) 4.218 2.192 ( 1.330 -2.415 1.103) 2.969 2.463 ( -0.708 -0.729 3.402) 3.550 2.482 ( -2.815 2.015 -7.525) 8.283 2.546 ( -0.591 -3.362 3.637) 4.989 2.660 ( -1.279 -1.049 -0.149) 1.661 2.807 ( -5.593 -1.090 -8.300) 10.067 2.862 ( -1.828 4.244 -5.882) 7.479 2.885 ( 0.393 -2.322 -2.606) 3.512 3.053 ( -4.142 0.914 -7.053) 8.230 3.265 ( -0.881 -1.010 -2.446) 2.790 3.280 ( 1.798 -0.168 -2.029) 2.716 3.530 ( 1.081 1.876 -2.615) 3.395 3.619 ( 0.665 -1.608 -3.791) 4.172 3.879 ( 0.909 2.347 1.293) 2.829 4.045 ( 1.414 -4.606 -1.427) 5.025 4.185 ( -0.443 4.471 -0.636) 4.538 4.309 ( 0.233 -0.414 -2.465) 2.510 5.109 ( -0.589 0.517 0.423) 0.890 5.146 ( -1.030 -1.134 0.276) 1.557 5.203 ( 1.062 1.260 -1.897) 2.513 5.273 ( 0.272 -1.242 -0.861) 1.536 5.373 ( 0.762 2.318 0.446) 2.481 5.452 ( 2.241 -1.236 0.881) 2.707 5.483 ( 0.684 0.800 1.869) 2.145 5.522 ( 0.149 -0.159 1.378) 1.395 5.702 ( 0.265 1.291 0.440) 1.389 5.776 ( -1.314 -0.411 0.889) 1.639 5.926 ( -2.694 -1.252 -0.838) 3.087 5.980 ( -3.534 -2.450 0.620) 4.344 6.565 ( 0.097 0.951 0.829) 1.265 6.628 ( 0.010 -1.818 0.868) 2.015 6.674 ( -0.249 -0.413 -0.827) 0.957 6.690 ( -0.565 -0.867 -0.870) 1.352 6.903 ( 0.879 1.822 -0.978) 2.247 6.944 ( 0.258 -0.085 -0.335) 0.431 7.007 ( -0.084 1.418 0.212) 1.436 7.071 ( -0.207 -1.681 -0.205) 1.706 ======================= Grid point 69 (37/116) ======================= q-point: (-0.14 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.834 10.645 7.665) 13.144 0.693 ( -7.014 8.832 2.816) 11.624 0.944 ( -9.166 4.509 7.915) 12.923 1.160 ( -4.371 -8.116 5.804) 10.893 1.313 ( -0.689 1.675 2.350) 2.968 1.437 ( -0.266 -0.949 2.063) 2.287 1.799 ( -1.818 8.323 -5.011) 9.883 1.819 ( 6.203 6.880 5.076) 10.563 1.933 ( -0.679 1.347 1.249) 1.959 1.990 ( 3.879 -0.770 3.693) 5.411 2.106 ( 0.144 -0.656 -3.677) 3.738 2.239 ( 1.911 -6.718 0.644) 7.014 2.409 ( -4.652 -2.089 -0.481) 5.123 2.427 ( -1.152 -2.857 -4.939) 5.821 2.547 ( 0.156 -6.069 0.004) 6.071 2.594 ( -1.880 -6.990 -0.650) 7.268 2.750 ( 0.543 2.976 1.340) 3.309 2.801 ( -2.364 0.345 -1.053) 2.611 2.886 ( -1.436 0.536 -2.929) 3.306 2.935 ( 1.625 -3.422 -1.816) 4.201 3.290 ( 3.169 0.582 0.763) 3.311 3.343 ( 4.619 -0.811 -3.009) 5.573 3.546 ( 1.597 2.356 -2.396) 3.720 3.640 ( 3.397 -1.091 -4.214) 5.521 3.924 ( 2.144 2.599 1.834) 3.836 4.064 ( 1.018 -3.233 -0.888) 3.504 4.186 ( 1.004 4.360 -1.227) 4.639 4.309 ( 1.646 -0.507 -3.148) 3.588 5.094 ( -0.862 0.527 0.375) 1.078 5.126 ( -1.045 -0.730 0.374) 1.329 5.229 ( 2.657 0.842 -2.891) 4.016 5.276 ( 0.968 -0.872 -2.637) 2.941 5.401 ( 1.077 2.553 1.832) 3.321 5.468 ( -1.013 -0.139 -0.411) 1.102 5.513 ( 1.047 -0.399 0.879) 1.424 5.526 ( -0.502 0.126 2.735) 2.783 5.691 ( -1.930 1.606 1.453) 2.901 5.739 ( -3.087 0.455 1.792) 3.599 5.842 ( -4.459 -0.788 1.117) 4.664 5.920 ( -2.609 -2.705 0.835) 3.849 6.574 ( 0.258 0.814 0.819) 1.184 6.635 ( 0.099 -1.819 0.651) 1.934 6.668 ( 0.109 -0.876 -0.511) 1.020 6.674 ( -0.435 -0.912 -0.839) 1.314 6.914 ( 0.681 1.532 -1.058) 1.982 6.947 ( 0.149 0.167 -0.068) 0.234 7.010 ( 0.251 1.022 0.079) 1.056 7.062 ( -0.549 -1.698 -0.004) 1.785 ======================= Grid point 70 (38/116) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -2.461 -8.080 -1.599) 8.597 0.765 ( -2.461 8.080 -1.599) 8.597 0.912 ( -6.242 -10.493 8.158) 14.684 0.912 ( -6.242 10.493 8.158) 14.684 1.375 ( -1.571 -4.318 2.266) 5.123 1.375 ( -1.571 4.318 2.266) 5.123 1.752 ( -9.073 -6.365 -11.511) 15.979 1.752 ( -9.073 6.365 -11.511) 15.979 1.955 ( -4.856 -6.527 -5.812) 9.998 1.955 ( -4.856 6.527 -5.812) 9.998 2.151 ( 3.596 -4.920 3.108) 6.841 2.151 ( 3.596 4.920 3.108) 6.841 2.358 ( -0.745 -1.553 -4.293) 4.626 2.358 ( -0.745 1.553 -4.293) 4.626 2.555 ( 4.852 -1.470 5.550) 7.517 2.555 ( 4.852 1.470 5.550) 7.517 2.767 ( 0.179 -1.396 0.882) 1.661 2.767 ( 0.179 1.396 0.882) 1.661 2.996 ( 7.195 -6.078 6.894) 11.672 2.996 ( 7.195 6.078 6.894) 11.672 3.391 ( 2.416 -1.209 0.123) 2.704 3.391 ( 2.416 1.209 0.123) 2.704 3.644 ( 2.287 -3.444 -1.121) 4.283 3.644 ( 2.287 3.444 -1.121) 4.283 4.014 ( 0.048 -3.261 0.844) 3.368 4.014 ( 0.048 3.261 0.844) 3.368 4.291 ( 2.499 -3.604 -2.464) 5.030 4.291 ( 2.499 3.604 -2.464) 5.030 5.096 ( -0.642 -0.734 0.681) 1.190 5.096 ( -0.642 0.734 0.681) 1.190 5.273 ( 1.787 -0.783 -4.104) 4.544 5.273 ( 1.787 0.783 -4.104) 4.544 5.442 ( -0.962 -1.323 0.658) 1.764 5.442 ( -0.962 1.323 0.658) 1.764 5.517 ( -1.023 -1.156 2.883) 3.271 5.517 ( -1.023 1.156 2.883) 3.271 5.683 ( -1.964 -1.165 0.060) 2.284 5.683 ( -1.964 1.165 0.060) 2.284 5.821 ( -1.424 -2.860 1.233) 3.424 5.821 ( -1.424 2.860 1.233) 3.424 6.604 ( -0.113 -1.473 0.880) 1.720 6.604 ( -0.113 1.473 0.880) 1.720 6.663 ( 0.640 -0.251 -0.224) 0.722 6.663 ( 0.640 0.251 -0.224) 0.722 6.941 ( 0.070 -0.890 -0.681) 1.123 6.941 ( 0.070 0.890 -0.681) 1.123 7.031 ( -0.024 -0.977 0.167) 0.992 7.031 ( -0.024 0.977 0.167) 0.992 ======================= Grid point 72 (39/116) ======================= q-point: ( 0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -4.456 -12.653 -1.849) 13.541 0.667 ( -4.456 12.653 -1.849) 13.541 0.887 ( 0.300 -10.577 4.114) 11.353 0.887 ( 0.300 10.577 4.114) 11.353 1.334 ( -3.327 -4.478 -1.744) 5.845 1.334 ( -3.327 4.478 -1.744) 5.845 1.521 ( -6.867 -4.597 -8.120) 11.585 1.521 ( -6.867 4.597 -8.120) 11.585 1.804 ( -5.488 -5.026 -5.640) 9.338 1.804 ( -5.488 5.026 -5.640) 9.338 2.199 ( 0.328 -2.310 -0.746) 2.450 2.199 ( 0.328 2.310 -0.746) 2.450 2.352 ( 2.318 -1.786 -1.929) 3.505 2.352 ( 2.318 1.786 -1.929) 3.505 2.642 ( 2.011 -5.514 -0.506) 5.891 2.642 ( 2.011 5.514 -0.506) 5.891 2.869 ( 5.915 -7.189 8.337) 12.497 2.869 ( 5.915 7.189 8.337) 12.497 3.185 ( 6.376 -5.657 6.669) 10.823 3.185 ( 6.376 5.657 6.669) 10.823 3.395 ( -2.102 -4.668 1.070) 5.231 3.395 ( -2.102 4.668 1.070) 5.231 3.677 ( 0.862 -3.808 0.606) 3.951 3.677 ( 0.862 3.808 0.606) 3.951 4.002 ( -1.510 -4.417 0.723) 4.723 4.002 ( -1.510 4.417 0.723) 4.723 4.328 ( 1.315 -3.412 -0.277) 3.667 4.328 ( 1.315 3.412 -0.277) 3.667 5.092 ( -0.008 -0.743 0.400) 0.844 5.092 ( -0.008 0.743 0.400) 0.844 5.276 ( 0.902 -1.437 -3.609) 3.988 5.276 ( 0.902 1.437 -3.609) 3.988 5.420 ( -1.803 -1.662 1.696) 2.981 5.420 ( -1.803 1.662 1.696) 2.981 5.506 ( -1.670 -1.286 1.333) 2.494 5.506 ( -1.670 1.286 1.333) 2.494 5.667 ( 1.022 -1.318 -1.620) 2.326 5.667 ( 1.022 1.318 -1.620) 2.326 5.819 ( 1.159 -2.273 -0.251) 2.564 5.819 ( 1.159 2.273 -0.251) 2.564 6.604 ( -0.358 -1.535 1.124) 1.936 6.604 ( -0.358 1.535 1.124) 1.936 6.681 ( 0.970 -0.350 0.006) 1.031 6.681 ( 0.970 0.350 0.006) 1.031 6.936 ( -0.112 -0.929 -0.804) 1.233 6.936 ( -0.112 0.929 -0.804) 1.233 7.034 ( 0.182 -1.239 0.195) 1.268 7.034 ( 0.182 1.239 0.195) 1.268 ======================= Grid point 74 (40/116) ======================= q-point: ( 0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 4.041 -9.404 2.243) 10.479 0.652 ( 4.041 9.404 2.243) 10.479 0.950 ( 4.053 -8.042 0.285) 9.010 0.950 ( 4.053 8.042 0.285) 9.010 1.229 ( -4.542 -2.317 -2.818) 5.825 1.229 ( -4.542 2.317 -2.818) 5.825 1.393 ( -3.263 -1.947 -2.583) 4.595 1.393 ( -3.263 1.947 -2.583) 4.595 1.700 ( -2.331 -2.592 -1.986) 4.013 1.700 ( -2.331 2.592 -1.986) 4.013 2.182 ( -0.518 -2.310 -2.401) 3.371 2.182 ( -0.518 2.310 -2.401) 3.371 2.407 ( 3.123 -2.347 -0.291) 3.918 2.407 ( 3.123 2.347 -0.291) 3.918 2.666 ( 1.671 -6.379 -2.675) 7.116 2.666 ( 1.671 6.379 -2.675) 7.116 3.016 ( 2.776 -8.301 7.088) 11.263 3.016 ( 2.776 8.301 7.088) 11.263 3.267 ( -1.584 -2.407 0.488) 2.923 3.267 ( -1.584 2.407 0.488) 2.923 3.373 ( 0.592 -7.785 2.319) 8.145 3.373 ( 0.592 7.785 2.319) 8.145 3.675 ( -1.644 -2.835 1.522) 3.614 3.675 ( -1.644 2.835 1.522) 3.614 3.969 ( -1.984 -4.627 0.835) 5.103 3.969 ( -1.984 4.627 0.835) 5.103 4.328 ( -1.643 -2.429 1.649) 3.364 4.328 ( -1.643 2.429 1.649) 3.364 5.100 ( 0.617 -0.953 0.224) 1.157 5.100 ( 0.617 0.953 0.224) 1.157 5.278 ( 0.473 -1.900 -0.947) 2.175 5.278 ( 0.473 1.900 -0.947) 2.175 5.394 ( -1.270 -2.140 0.820) 2.620 5.394 ( -1.270 2.140 0.820) 2.620 5.463 ( -2.373 -1.246 0.063) 2.681 5.463 ( -2.373 1.246 0.063) 2.681 5.691 ( 1.941 -1.732 -2.345) 3.502 5.691 ( 1.941 1.732 -2.345) 3.502 5.873 ( 4.459 -0.297 -2.032) 4.909 5.873 ( 4.459 0.297 -2.032) 4.909 6.602 ( -0.575 -1.688 1.339) 2.230 6.602 ( -0.575 1.688 1.339) 2.230 6.696 ( 0.538 -0.256 -0.112) 0.606 6.696 ( 0.538 0.256 -0.112) 0.606 6.929 ( -0.032 -1.073 -0.899) 1.401 6.929 ( -0.032 1.073 -0.899) 1.401 7.040 ( 0.262 -1.567 0.155) 1.596 7.040 ( 0.262 1.567 0.155) 1.596 ======================= Grid point 76 (41/116) ======================= q-point: ( 0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 7.107 -2.257 5.024) 8.991 0.820 ( 7.107 2.257 5.024) 8.991 1.014 ( 0.760 -5.527 4.051) 6.894 1.014 ( 0.760 5.527 4.051) 6.894 1.173 ( 1.578 -7.173 -0.975) 7.409 1.173 ( 1.578 7.173 -0.975) 7.409 1.357 ( 0.079 -2.214 2.058) 3.024 1.357 ( 0.079 2.214 2.058) 3.024 1.686 ( 1.386 -2.041 0.497) 2.517 1.686 ( 1.386 2.041 0.497) 2.517 2.162 ( 0.034 -2.037 -2.792) 3.456 2.162 ( 0.034 2.037 -2.792) 3.456 2.460 ( 1.795 -0.933 0.560) 2.099 2.460 ( 1.795 0.933 0.560) 2.099 2.686 ( 1.790 -4.915 -2.551) 5.820 2.686 ( 1.790 4.915 -2.551) 5.820 3.017 ( -4.764 -7.490 0.849) 8.917 3.017 ( -4.764 7.490 0.849) 8.917 3.214 ( -1.934 -6.201 -3.581) 7.417 3.214 ( -1.934 6.201 -3.581) 7.417 3.379 ( -1.405 -2.172 -0.794) 2.706 3.379 ( -1.405 2.172 -0.794) 2.706 3.639 ( -2.563 -2.505 1.839) 4.028 3.639 ( -2.563 2.505 1.839) 4.028 3.937 ( -1.479 -3.531 0.865) 3.925 3.937 ( -1.479 3.531 0.865) 3.925 4.295 ( -2.107 -1.164 1.787) 2.997 4.295 ( -2.107 1.164 1.787) 2.997 5.116 ( 0.559 -1.304 0.717) 1.590 5.116 ( 0.559 1.304 0.717) 1.590 5.274 ( -0.992 -1.265 0.697) 1.752 5.274 ( -0.992 1.265 0.697) 1.752 5.378 ( -0.371 -2.066 -0.452) 2.147 5.378 ( -0.371 2.066 -0.452) 2.147 5.441 ( 0.394 -0.512 0.668) 0.929 5.441 ( 0.394 0.512 0.668) 0.929 5.714 ( 1.732 -2.431 -2.465) 3.871 5.714 ( 1.732 2.431 -2.465) 3.871 5.950 ( 3.710 -1.371 -2.376) 4.614 5.950 ( 3.710 1.371 -2.376) 4.614 6.597 ( -0.698 -1.743 1.333) 2.303 6.597 ( -0.698 1.743 1.333) 2.303 6.700 ( -0.036 -0.355 -0.469) 0.589 6.700 ( -0.036 0.355 -0.469) 0.589 6.925 ( 0.196 -1.235 -0.907) 1.545 6.925 ( 0.196 1.235 -0.907) 1.545 7.044 ( 0.060 -1.659 0.065) 1.661 7.044 ( 0.060 1.659 0.065) 1.661 ======================= Grid point 78 (42/116) ======================= q-point: (-0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -4.776 -4.608 4.514) 8.026 0.841 ( -4.776 4.608 4.514) 8.026 1.132 ( 3.489 -5.286 5.338) 8.284 1.132 ( 3.489 5.286 5.338) 8.284 1.227 ( 2.519 -1.744 5.016) 5.877 1.227 ( 2.519 1.744 5.016) 5.877 1.453 ( 7.349 -4.195 7.670) 11.421 1.453 ( 7.349 4.195 7.670) 11.421 1.759 ( 4.555 -3.137 2.841) 6.217 1.759 ( 4.555 3.137 2.841) 6.217 2.150 ( 0.359 -2.442 -3.255) 4.085 2.150 ( 0.359 2.442 -3.255) 4.085 2.485 ( 0.038 -2.265 1.775) 2.878 2.485 ( 0.038 2.265 1.775) 2.878 2.695 ( -0.696 -1.628 -2.583) 3.132 2.695 ( -0.696 1.628 -2.583) 3.132 2.887 ( -5.111 -5.414 -5.195) 9.079 2.887 ( -5.111 5.414 -5.195) 9.079 3.130 ( -3.149 -7.151 -7.886) 11.102 3.130 ( -3.149 7.151 -7.886) 11.102 3.316 ( -3.352 -1.516 -1.867) 4.125 3.316 ( -3.352 1.516 -1.867) 4.125 3.597 ( -1.746 -2.780 -0.431) 3.311 3.597 ( -1.746 2.780 -0.431) 3.311 3.926 ( 0.210 -3.988 0.441) 4.018 3.926 ( 0.210 3.988 0.441) 4.018 4.274 ( -0.674 -2.875 0.740) 3.044 4.274 ( -0.674 2.875 0.740) 3.044 5.127 ( 0.029 -1.226 0.841) 1.488 5.127 ( 0.029 1.226 0.841) 1.488 5.250 ( -1.103 -1.946 -0.237) 2.249 5.250 ( -1.103 1.946 -0.237) 2.249 5.385 ( 1.203 -0.788 -0.061) 1.440 5.385 ( 1.203 0.788 -0.061) 1.440 5.472 ( 1.368 -1.304 2.071) 2.804 5.472 ( 1.368 1.304 2.071) 2.804 5.733 ( 1.226 -2.670 -1.614) 3.352 5.733 ( 1.226 2.670 -1.614) 3.352 5.978 ( -0.092 -1.855 -1.201) 2.212 5.978 ( -0.092 1.855 -1.201) 2.212 6.591 ( -0.470 -1.718 1.101) 2.093 6.591 ( -0.470 1.718 1.101) 2.093 6.691 ( -0.408 -0.541 -0.847) 1.084 6.691 ( -0.408 0.541 -0.847) 1.084 6.927 ( 0.415 -1.233 -0.842) 1.550 6.927 ( 0.415 1.233 -0.842) 1.550 7.043 ( -0.181 -1.661 -0.003) 1.671 7.043 ( -0.181 1.661 -0.003) 1.671 ======================= Grid point 80 (43/116) ======================= q-point: (-0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -2.665 -6.134 5.879) 8.904 0.788 ( -2.665 6.134 5.879) 8.904 1.105 ( -5.600 -6.068 4.562) 9.434 1.105 ( -5.600 6.068 4.562) 9.434 1.345 ( 3.054 -3.318 5.708) 7.274 1.345 ( 3.054 3.318 5.708) 7.274 1.700 ( 9.934 -7.813 12.268) 17.613 1.700 ( 9.934 7.813 12.268) 17.613 1.885 ( 5.186 -4.615 4.119) 8.072 1.885 ( 5.186 4.615 4.119) 8.072 2.131 ( -0.353 -4.412 -4.164) 6.077 2.131 ( -0.353 4.412 -4.164) 6.077 2.482 ( -1.857 -2.433 3.144) 4.388 2.482 ( -1.857 2.433 3.144) 4.388 2.579 ( -5.975 -6.092 -9.076) 12.457 2.579 ( -5.975 6.092 -9.076) 12.457 2.814 ( -0.697 -2.634 -1.614) 3.167 2.814 ( -0.697 2.634 -1.614) 3.167 3.000 ( -4.529 -5.968 -9.978) 12.477 3.000 ( -4.529 5.968 -9.978) 12.477 3.267 ( 0.451 -1.290 -1.266) 1.863 3.267 ( 0.451 1.290 -1.266) 1.863 3.576 ( 1.008 -2.459 -3.378) 4.298 3.576 ( 1.008 2.459 -3.378) 4.298 3.950 ( 1.794 -4.457 0.183) 4.808 3.950 ( 1.794 4.457 0.183) 4.808 4.269 ( 0.107 -3.437 -0.859) 3.544 4.269 ( 0.107 3.437 -0.859) 3.544 5.124 ( -0.735 -0.985 0.586) 1.361 5.124 ( -0.735 0.985 0.586) 1.361 5.238 ( 0.557 -2.026 -1.595) 2.638 5.238 ( 0.557 2.026 -1.595) 2.638 5.418 ( 1.634 -2.030 0.611) 2.676 5.418 ( 1.634 2.030 0.611) 2.676 5.507 ( 0.567 -1.233 2.388) 2.746 5.507 ( 0.567 1.233 2.388) 2.746 5.741 ( -0.081 -2.353 -0.013) 2.355 5.741 ( -0.081 2.353 -0.013) 2.355 5.936 ( -3.525 -1.752 0.556) 3.976 5.936 ( -3.525 1.752 0.556) 3.976 6.591 ( -0.035 -1.670 0.857) 1.877 6.591 ( -0.035 1.670 0.857) 1.877 6.676 ( -0.537 -0.501 -0.975) 1.221 6.676 ( -0.537 0.501 -0.975) 1.221 6.932 ( 0.585 -1.061 -0.738) 1.419 6.932 ( 0.585 1.061 -0.738) 1.419 7.038 ( -0.294 -1.595 0.020) 1.622 7.038 ( -0.294 1.595 0.020) 1.622 ======================= Grid point 82 (44/116) ======================= q-point: (-0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.902 -1.940 3.594) 4.183 0.787 ( -0.902 1.940 3.594) 4.183 1.008 ( -6.788 -5.425 6.785) 11.025 1.008 ( -6.788 5.425 6.785) 11.025 1.388 ( -1.086 -3.992 3.972) 5.735 1.388 ( -1.086 3.992 3.972) 5.735 1.938 ( 0.559 -1.475 0.851) 1.793 1.938 ( 0.559 1.475 0.851) 1.793 1.951 ( 3.762 -2.354 3.237) 5.493 1.951 ( 3.762 2.354 3.237) 5.493 2.094 ( -0.326 -4.766 -1.952) 5.160 2.094 ( -0.326 4.766 -1.952) 5.160 2.408 ( -2.583 -0.468 -5.202) 5.827 2.408 ( -2.583 0.468 -5.202) 5.827 2.487 ( -0.735 -2.375 0.946) 2.660 2.487 ( -0.735 2.375 0.946) 2.660 2.806 ( -1.199 -1.421 -0.639) 1.966 2.806 ( -1.199 1.421 -0.639) 1.966 2.882 ( -0.153 -0.653 -2.303) 2.399 2.882 ( -0.153 0.653 -2.303) 2.399 3.317 ( 4.223 -1.669 -0.939) 4.636 3.317 ( 4.223 1.669 -0.939) 4.636 3.601 ( 3.019 -2.634 -3.408) 5.260 3.601 ( 3.019 2.634 -3.408) 5.260 3.990 ( 1.701 -3.782 0.470) 4.174 3.990 ( 1.701 3.782 0.470) 4.174 4.270 ( 1.006 -3.381 -2.369) 4.250 4.270 ( 1.006 3.381 -2.369) 4.250 5.109 ( -0.953 -0.877 0.593) 1.424 5.109 ( -0.953 0.877 0.593) 1.424 5.253 ( 1.949 -1.324 -2.957) 3.780 5.253 ( 1.949 1.324 -2.957) 3.780 5.446 ( 0.433 -1.833 0.723) 2.017 5.446 ( 0.433 1.833 0.723) 2.017 5.519 ( -0.511 -0.697 2.223) 2.385 5.519 ( -0.511 0.697 2.223) 2.385 5.725 ( -1.946 -1.569 1.142) 2.748 5.725 ( -1.946 1.569 1.142) 2.748 5.864 ( -3.586 -2.519 1.551) 4.649 5.864 ( -3.586 2.519 1.551) 4.649 6.598 ( 0.168 -1.616 0.799) 1.810 6.598 ( 0.168 1.616 0.799) 1.810 6.662 ( -0.232 -0.210 -0.717) 0.782 6.662 ( -0.232 0.210 -0.717) 0.782 6.940 ( 0.428 -0.918 -0.664) 1.211 6.940 ( 0.428 0.918 -0.664) 1.211 7.033 ( -0.203 -1.284 0.110) 1.305 7.033 ( -0.203 1.284 0.110) 1.305 ======================= Grid point 98 (45/116) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -0.000 0.000 14.600) 14.600 0.578 ( 3.998 0.000 13.514) 14.093 0.951 ( -8.224 0.000 18.025) 19.812 1.319 ( -0.939 0.000 2.495) 2.665 1.329 ( 2.285 0.000 -0.812) 2.425 1.509 ( 2.830 0.000 -2.062) 3.501 1.733 ( 0.979 0.000 4.485) 4.590 1.802 ( -1.420 0.000 -0.028) 1.420 1.840 ( 3.421 0.000 3.944) 5.221 1.955 ( -2.726 0.000 -4.565) 5.317 2.004 ( -4.020 0.000 -0.585) 4.062 2.282 ( 3.104 0.000 -4.367) 5.358 2.294 ( -0.577 0.000 -2.583) 2.646 2.549 ( -7.375 0.000 -8.450) 11.216 2.553 ( -5.874 0.000 -2.487) 6.378 2.646 ( -0.596 0.000 0.048) 0.598 2.687 ( -5.828 0.000 -5.323) 7.893 2.773 ( 0.710 0.000 -0.501) 0.869 2.859 ( 0.498 0.000 -6.731) 6.750 2.921 ( -0.366 0.000 0.895) 0.967 3.329 ( 4.124 0.000 1.203) 4.296 3.456 ( 4.652 0.000 2.222) 5.156 3.593 ( 1.317 0.000 0.826) 1.554 3.673 ( 5.747 0.000 -0.380) 5.759 4.053 ( 3.357 0.000 2.306) 4.073 4.069 ( 6.173 0.000 -0.465) 6.191 4.246 ( 0.447 0.000 2.839) 2.874 4.314 ( 4.959 0.000 -0.189) 4.963 5.053 ( -0.625 0.000 -0.354) 0.719 5.121 ( -0.653 0.000 -1.031) 1.221 5.219 ( -1.856 0.000 -0.438) 1.907 5.224 ( 3.091 0.000 -1.696) 3.526 5.388 ( -1.469 0.000 2.021) 2.498 5.457 ( 7.259 0.000 -2.338) 7.626 5.578 ( -2.008 0.000 2.748) 3.404 5.579 ( 2.635 0.000 1.562) 3.063 5.669 ( -4.709 0.000 4.884) 6.785 5.671 ( -3.765 0.000 1.821) 4.182 5.862 ( -1.921 0.000 1.388) 2.370 5.884 ( -2.465 0.000 -2.707) 3.661 6.584 ( -0.064 0.000 0.899) 0.901 6.663 ( -0.223 0.000 -1.326) 1.344 6.664 ( -0.661 0.000 -0.337) 0.742 6.723 ( 1.475 0.000 -1.861) 2.375 6.884 ( 0.585 0.000 0.772) 0.969 6.930 ( -0.272 0.000 0.353) 0.446 6.988 ( -0.107 0.000 0.712) 0.720 7.085 ( -0.532 0.000 -0.769) 0.935 ======================= Grid point 99 (46/116) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -1.984 0.000 14.619) 14.753 0.759 ( 6.150 0.000 10.241) 11.946 0.953 ( -0.995 0.000 11.021) 11.066 1.351 ( -0.051 0.000 -0.680) 0.682 1.360 ( 3.558 0.000 4.195) 5.500 1.524 ( 0.532 0.000 -4.188) 4.222 1.698 ( -5.852 0.000 1.243) 5.983 1.780 ( -1.085 0.000 -0.849) 1.377 1.898 ( 0.242 0.000 2.483) 2.495 1.950 ( 4.111 0.000 1.788) 4.483 1.954 ( -0.725 0.000 4.738) 4.794 2.231 ( -6.060 0.000 -5.150) 7.953 2.285 ( -4.683 0.000 -9.514) 10.604 2.369 ( -0.032 0.000 -5.415) 5.415 2.473 ( 0.865 0.000 -1.994) 2.173 2.555 ( -4.018 0.000 -3.072) 5.058 2.631 ( -0.376 0.000 -0.111) 0.392 2.808 ( 1.673 0.000 1.236) 2.080 2.830 ( 0.628 0.000 -6.548) 6.578 2.922 ( 0.196 0.000 -0.252) 0.319 3.422 ( 3.900 0.000 3.450) 5.207 3.512 ( -0.451 0.000 1.265) 1.343 3.642 ( 2.232 0.000 0.785) 2.366 3.769 ( 3.345 0.000 0.424) 3.372 4.108 ( -0.434 0.000 4.488) 4.509 4.199 ( 5.898 0.000 -0.719) 5.941 4.261 ( -0.433 0.000 2.076) 2.121 4.395 ( 3.069 0.000 -1.777) 3.547 5.065 ( 0.858 0.000 0.686) 1.099 5.115 ( 1.230 0.000 -1.927) 2.285 5.161 ( -1.908 0.000 -1.712) 2.563 5.281 ( 3.245 0.000 -1.233) 3.472 5.375 ( -0.491 0.000 1.164) 1.263 5.523 ( -5.065 0.000 3.432) 6.118 5.582 ( 2.407 0.000 0.213) 2.416 5.588 ( -5.045 0.000 4.817) 6.976 5.636 ( 3.287 0.000 -5.484) 6.394 5.660 ( 3.250 0.000 2.047) 3.841 5.814 ( -3.122 0.000 0.621) 3.183 5.820 ( -1.779 0.000 -3.545) 3.966 6.584 ( -0.548 0.000 0.992) 1.133 6.651 ( -0.234 0.000 -0.393) 0.458 6.659 ( 0.542 0.000 -1.313) 1.421 6.736 ( 0.752 0.000 -1.781) 1.933 6.892 ( -0.385 0.000 1.147) 1.210 6.927 ( -0.156 0.000 0.210) 0.261 6.988 ( -0.311 0.000 0.689) 0.756 7.078 ( 0.242 0.000 -0.449) 0.510 ======================= Grid point 100 (47/116) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 3.669 0.000 9.500) 10.183 0.906 ( 3.075 0.000 5.335) 6.158 0.983 ( -0.677 0.000 4.507) 4.557 1.319 ( -1.783 0.000 -2.552) 3.113 1.476 ( 3.107 0.000 -2.562) 4.028 1.524 ( 1.246 0.000 0.922) 1.551 1.568 ( -4.440 0.000 4.575) 6.375 1.725 ( -2.328 0.000 -5.290) 5.779 1.967 ( 2.750 0.000 3.953) 4.816 1.980 ( -2.781 0.000 -0.998) 2.955 1.991 ( -5.539 0.000 -6.585) 8.605 2.083 ( 1.380 0.000 5.906) 6.065 2.142 ( 1.574 0.000 -5.063) 5.302 2.397 ( 1.895 0.000 -0.256) 1.912 2.485 ( -0.880 0.000 -3.167) 3.287 2.538 ( 4.127 0.000 0.657) 4.179 2.648 ( 1.933 0.000 1.371) 2.370 2.803 ( 0.954 0.000 -6.992) 7.057 2.853 ( 1.402 0.000 1.858) 2.328 2.918 ( -0.283 0.000 -0.602) 0.666 3.454 ( -4.930 0.000 -0.954) 5.021 3.500 ( 0.922 0.000 2.796) 2.944 3.671 ( 0.051 0.000 1.270) 1.271 3.802 ( -0.578 0.000 0.624) 0.850 4.082 ( -4.077 0.000 4.029) 5.732 4.247 ( -1.438 0.000 -0.777) 1.635 4.267 ( 0.867 0.000 -0.886) 1.240 4.400 ( -1.543 0.000 -3.011) 3.384 5.046 ( -1.019 0.000 -1.681) 1.965 5.155 ( 3.445 0.000 -1.190) 3.645 5.185 ( 2.999 0.000 0.867) 3.122 5.333 ( 2.493 0.000 -2.434) 3.484 5.386 ( 1.152 0.000 0.825) 1.417 5.416 ( -7.101 0.000 3.948) 8.125 5.516 ( -3.833 0.000 3.258) 5.030 5.577 ( -1.311 0.000 1.734) 2.173 5.641 ( -2.358 0.000 -4.413) 5.003 5.716 ( 0.692 0.000 -1.038) 1.248 5.802 ( 2.794 0.000 -2.385) 3.673 5.828 ( 6.252 0.000 -4.256) 7.563 6.574 ( -0.911 0.000 1.128) 1.450 6.653 ( 0.441 0.000 0.133) 0.460 6.667 ( 0.804 0.000 -1.176) 1.425 6.735 ( 0.046 0.000 -1.261) 1.262 6.881 ( -1.340 0.000 1.510) 2.019 6.928 ( 0.135 0.000 -0.029) 0.138 6.984 ( -0.426 0.000 0.638) 0.767 7.085 ( 0.604 0.000 -0.822) 1.020 ======================= Grid point 101 (48/116) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 7.233 0.000 4.199) 8.364 0.916 ( -4.101 0.000 1.222) 4.280 0.967 ( -3.394 0.000 1.317) 3.640 1.279 ( -0.174 0.000 -2.672) 2.678 1.386 ( -3.080 0.000 -3.589) 4.729 1.593 ( 2.289 0.000 1.591) 2.788 1.626 ( -2.279 0.000 -4.191) 4.770 1.641 ( 2.417 0.000 4.804) 5.378 1.756 ( -8.916 0.000 -6.358) 10.951 1.883 ( -1.214 0.000 -7.609) 7.705 2.090 ( 3.641 0.000 4.131) 5.507 2.225 ( 6.847 0.000 8.224) 10.702 2.226 ( 4.565 0.000 -1.197) 4.719 2.454 ( 3.505 0.000 3.187) 4.737 2.473 ( 1.706 0.000 -3.881) 4.240 2.633 ( 4.145 0.000 2.398) 4.789 2.720 ( 3.233 0.000 4.065) 5.194 2.790 ( 2.151 0.000 -8.042) 8.324 2.884 ( 0.269 0.000 2.247) 2.263 2.906 ( -0.239 0.000 -1.398) 1.418 3.325 ( -5.838 0.000 -3.375) 6.744 3.466 ( -5.350 0.000 1.853) 5.662 3.662 ( -2.403 0.000 4.001) 4.667 3.749 ( -4.761 0.000 0.343) 4.773 4.011 ( -4.166 0.000 1.228) 4.343 4.200 ( -1.916 0.000 -2.334) 3.019 4.229 ( -3.481 0.000 -1.240) 3.695 4.305 ( -5.044 0.000 -4.207) 6.568 5.047 ( 1.907 0.000 -1.517) 2.437 5.210 ( 0.992 0.000 -0.870) 1.320 5.236 ( 0.992 0.000 2.468) 2.660 5.296 ( -6.248 0.000 3.301) 7.067 5.355 ( 2.479 0.000 -3.326) 4.148 5.418 ( 0.515 0.000 0.382) 0.641 5.480 ( -0.734 0.000 1.203) 1.409 5.527 ( -3.384 0.000 0.606) 3.438 5.625 ( 2.365 0.000 -0.612) 2.442 5.709 ( 1.030 0.000 -2.972) 3.146 5.873 ( 4.279 0.000 -2.040) 4.741 5.936 ( 6.563 0.000 -7.089) 9.661 6.564 ( -0.654 0.000 1.363) 1.511 6.667 ( 0.594 0.000 0.744) 0.952 6.676 ( 0.598 0.000 -0.883) 1.066 6.727 ( -0.162 0.000 -0.984) 0.997 6.859 ( -1.572 0.000 1.651) 2.280 6.931 ( 0.246 0.000 -0.171) 0.299 6.979 ( -0.348 0.000 0.605) 0.698 7.090 ( 0.427 0.000 -0.941) 1.033 ======================= Grid point 102 (49/116) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -9.359 0.000 1.378) 9.460 0.819 ( -10.021 0.000 0.514) 10.034 1.014 ( 6.242 0.000 1.314) 6.379 1.280 ( 1.604 0.000 -3.447) 3.802 1.387 ( 3.788 0.000 -1.203) 3.975 1.479 ( -4.135 0.000 -5.825) 7.144 1.549 ( -7.706 0.000 -0.121) 7.707 1.706 ( 0.663 0.000 2.169) 2.269 1.756 ( 6.800 0.000 5.725) 8.889 1.846 ( 1.185 0.000 -6.641) 6.746 2.136 ( -0.586 0.000 1.288) 1.415 2.285 ( 2.691 0.000 -2.557) 3.713 2.434 ( 7.306 0.000 8.106) 10.913 2.499 ( 3.221 0.000 -2.354) 3.989 2.565 ( 4.722 0.000 3.335) 5.781 2.725 ( 2.841 0.000 3.018) 4.145 2.785 ( 3.317 0.000 -6.962) 7.712 2.829 ( 2.800 0.000 3.145) 4.211 2.871 ( -2.089 0.000 -0.936) 2.289 2.900 ( 0.863 0.000 -2.621) 2.760 3.213 ( -2.558 0.000 -2.520) 3.590 3.336 ( -7.162 0.000 0.631) 7.190 3.630 ( -5.928 0.000 -0.055) 5.928 3.630 ( -2.973 0.000 3.991) 4.977 3.932 ( -3.734 0.000 1.066) 3.883 4.128 ( -5.717 0.000 -0.384) 5.730 4.159 ( -0.496 0.000 -2.717) 2.762 4.192 ( -2.342 0.000 -5.416) 5.901 5.087 ( 2.011 0.000 -0.273) 2.029 5.172 ( -1.851 0.000 -3.204) 3.701 5.209 ( -3.754 0.000 1.852) 4.185 5.270 ( 1.020 0.000 3.559) 3.702 5.383 ( -2.709 0.000 -2.388) 3.611 5.429 ( 4.195 0.000 0.249) 4.202 5.475 ( -1.876 0.000 0.421) 1.923 5.496 ( 0.812 0.000 1.453) 1.664 5.688 ( 3.528 0.000 -0.131) 3.531 5.733 ( 1.926 0.000 -1.098) 2.217 5.934 ( 3.073 0.000 -3.052) 4.331 5.995 ( 3.223 0.000 -7.948) 8.576 6.564 ( -0.241 0.000 1.474) 1.494 6.681 ( 0.189 0.000 1.026) 1.043 6.681 ( 0.407 0.000 -0.668) 0.783 6.717 ( -0.258 0.000 -1.005) 1.038 6.843 ( -0.788 0.000 1.375) 1.585 6.934 ( 0.124 0.000 -0.154) 0.198 6.977 ( -0.143 0.000 0.613) 0.629 7.093 ( 0.470 0.000 -1.037) 1.139 ======================= Grid point 103 (50/116) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -9.837 0.000 5.516) 11.278 0.609 ( -10.620 0.000 4.711) 11.618 1.098 ( -0.357 0.000 5.007) 5.019 1.284 ( 1.047 0.000 -5.113) 5.219 1.413 ( -3.299 0.000 -2.102) 3.912 1.417 ( 0.237 0.000 -0.906) 0.936 1.502 ( 4.378 0.000 3.809) 5.803 1.725 ( 0.101 0.000 3.685) 3.687 1.825 ( 1.302 0.000 -4.871) 5.042 1.942 ( 6.585 0.000 4.355) 7.895 2.099 ( -2.833 0.000 -0.120) 2.835 2.308 ( 0.913 0.000 -3.347) 3.469 2.447 ( -2.246 0.000 -4.067) 4.646 2.646 ( 1.175 0.000 1.131) 1.631 2.692 ( 7.352 0.000 7.565) 10.549 2.764 ( -3.734 0.000 -4.013) 5.481 2.764 ( 0.342 0.000 3.101) 3.120 2.816 ( 2.985 0.000 -7.252) 7.842 2.895 ( -0.771 0.000 -2.897) 2.998 2.901 ( 1.247 0.000 -0.388) 1.307 3.216 ( 2.880 0.000 1.750) 3.370 3.228 ( -1.927 0.000 -2.454) 3.120 3.533 ( -1.813 0.000 -1.276) 2.217 3.604 ( -1.576 0.000 1.382) 2.097 3.903 ( 0.553 0.000 1.969) 2.045 4.020 ( -3.574 0.000 -1.513) 3.881 4.157 ( 1.619 0.000 -1.005) 1.906 4.162 ( 1.451 0.000 -2.167) 2.608 5.113 ( 0.128 0.000 0.740) 0.751 5.140 ( 0.584 0.000 -3.332) 3.383 5.164 ( -1.503 0.000 1.204) 1.925 5.280 ( -2.206 0.000 -1.757) 2.820 5.348 ( 1.118 0.000 3.182) 3.372 5.416 ( -1.791 0.000 -2.478) 3.057 5.516 ( 0.688 0.000 0.262) 0.736 5.529 ( 2.566 0.000 4.044) 4.789 5.747 ( 1.731 0.000 0.420) 1.781 5.752 ( -0.543 0.000 1.674) 1.760 5.959 ( 0.991 0.000 -3.133) 3.286 5.971 ( -1.314 0.000 -6.660) 6.788 6.570 ( 0.026 0.000 1.305) 1.305 6.685 ( -0.324 0.000 0.785) 0.849 6.686 ( 0.396 0.000 -0.687) 0.793 6.705 ( -0.251 0.000 -1.267) 1.291 6.845 ( 0.365 0.000 0.857) 0.932 6.935 ( -0.033 0.000 0.012) 0.035 6.980 ( 0.018 0.000 0.649) 0.650 7.098 ( 0.657 0.000 -1.437) 1.581 ======================= Grid point 104 (51/116) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -3.709 0.000 12.028) 12.587 0.496 ( -4.410 0.000 12.579) 13.330 1.052 ( -8.627 0.000 13.116) 15.699 1.289 ( 2.052 0.000 -2.606) 3.317 1.348 ( -2.753 0.000 1.515) 3.142 1.453 ( 2.975 0.000 -0.735) 3.065 1.630 ( 5.689 0.000 3.101) 6.479 1.767 ( 1.927 0.000 3.447) 3.949 1.823 ( 0.026 0.000 -1.541) 1.541 2.033 ( -3.006 0.000 -1.805) 3.507 2.049 ( 1.499 0.000 0.322) 1.533 2.279 ( -0.439 0.000 -5.260) 5.278 2.356 ( -3.571 0.000 -3.912) 5.297 2.635 ( -0.184 0.000 -2.114) 2.122 2.683 ( -5.005 0.000 -1.089) 5.122 2.699 ( -2.919 0.000 -0.651) 2.991 2.804 ( -1.504 0.000 -3.615) 3.916 2.817 ( -3.842 0.000 -3.811) 5.411 2.886 ( 0.574 0.000 -7.285) 7.307 2.890 ( 2.835 0.000 5.579) 6.258 3.240 ( 4.245 0.000 -3.013) 5.206 3.326 ( 5.903 0.000 2.817) 6.541 3.561 ( 4.862 0.000 -1.440) 5.071 3.586 ( -0.385 0.000 -0.277) 0.474 3.966 ( 4.099 0.000 0.667) 4.153 3.989 ( 1.438 0.000 -0.656) 1.581 4.206 ( 2.597 0.000 0.585) 2.662 4.217 ( 4.211 0.000 -0.114) 4.212 5.090 ( -2.203 0.000 -0.275) 2.220 5.137 ( -0.241 0.000 -0.618) 0.663 5.174 ( 2.571 0.000 -1.740) 3.104 5.239 ( -0.607 0.000 -0.694) 0.922 5.382 ( 0.437 0.000 -0.991) 1.083 5.391 ( 0.123 0.000 3.559) 3.561 5.533 ( 1.292 0.000 -0.001) 1.292 5.579 ( 0.209 0.000 3.497) 3.504 5.728 ( -3.323 0.000 3.923) 5.141 5.742 ( -3.042 0.000 1.227) 3.280 5.898 ( -2.437 0.000 -1.358) 2.790 5.939 ( -1.225 0.000 -2.685) 2.951 6.578 ( 0.099 0.000 1.032) 1.037 6.678 ( -0.598 0.000 0.167) 0.621 6.680 ( -0.496 0.000 -1.195) 1.294 6.704 ( 1.069 0.000 -1.386) 1.750 6.864 ( 0.918 0.000 0.609) 1.102 6.933 ( -0.175 0.000 0.247) 0.303 6.984 ( 0.030 0.000 0.691) 0.692 7.098 ( 0.123 0.000 -1.661) 1.665 ======================= Grid point 105 (52/116) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -1.704 -1.675 12.917) 13.136 0.730 ( -0.344 7.814 11.484) 13.894 0.967 ( -6.813 0.800 12.918) 14.626 1.292 ( -2.373 -2.289 1.686) 3.703 1.341 ( 0.647 1.185 1.608) 2.100 1.438 ( 2.303 -5.748 -0.874) 6.253 1.628 ( -0.436 -5.116 -0.969) 5.226 1.796 ( -3.575 -0.701 -0.205) 3.649 1.871 ( -5.860 -6.590 -6.220) 10.792 1.991 ( 0.884 4.405 0.515) 4.522 2.041 ( 1.710 6.024 2.513) 6.747 2.259 ( 0.230 0.006 -4.280) 4.286 2.279 ( -6.419 -8.423 -6.856) 12.615 2.378 ( -0.762 -5.136 -3.738) 6.398 2.558 ( -3.523 -1.074 -1.644) 4.034 2.576 ( -1.220 1.003 0.999) 1.869 2.802 ( 3.179 3.982 1.279) 5.254 2.824 ( 1.731 -1.865 -4.655) 5.305 2.923 ( -0.369 9.950 0.490) 9.969 3.053 ( -0.392 9.296 -0.149) 9.306 3.309 ( 3.087 -1.382 0.391) 3.405 3.433 ( 4.715 -1.787 2.219) 5.510 3.569 ( 2.814 -1.696 0.887) 3.403 3.672 ( 5.633 -0.354 -1.092) 5.749 4.022 ( 2.773 -1.522 1.946) 3.713 4.087 ( 5.831 0.383 -0.047) 5.844 4.226 ( 0.450 -1.580 2.335) 2.855 4.318 ( 4.286 -0.256 -1.440) 4.529 5.068 ( -0.431 1.182 -0.284) 1.290 5.118 ( -0.457 -0.247 -0.845) 0.992 5.205 ( 0.428 -0.574 -1.490) 1.653 5.234 ( 0.209 0.095 -1.354) 1.374 5.397 ( -0.571 1.043 1.157) 1.659 5.457 ( 4.796 0.196 -1.042) 4.912 5.554 ( -0.544 -1.239 1.692) 2.167 5.598 ( 0.869 0.298 1.543) 1.795 5.665 ( -3.810 -0.070 2.249) 4.425 5.689 ( -4.528 1.516 3.820) 6.115 5.844 ( -1.680 -1.301 0.801) 2.271 5.889 ( -2.542 0.022 -1.353) 2.880 6.589 ( -0.057 0.492 0.969) 1.088 6.651 ( -0.250 -0.564 -0.579) 0.847 6.671 ( -0.107 0.053 -0.657) 0.668 6.706 ( 1.057 -1.483 -0.750) 1.969 6.883 ( 0.441 0.176 0.009) 0.475 6.940 ( -0.098 0.592 0.132) 0.615 6.997 ( -0.085 0.814 0.426) 0.923 7.075 ( -0.325 -0.889 -0.489) 1.065 ======================= Grid point 106 (53/116) ======================= q-point: ( 0.14 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 4.381 -3.971 13.845) 15.054 0.760 ( -1.465 2.373 13.465) 13.751 0.958 ( -0.696 -0.780 6.192) 6.279 1.294 ( 0.510 -5.460 2.836) 6.174 1.351 ( 0.036 -1.424 0.995) 1.737 1.467 ( 1.242 -4.469 -2.275) 5.166 1.620 ( -2.547 -8.577 -3.641) 9.659 1.662 ( -3.703 -9.978 -1.656) 10.771 1.752 ( -3.614 -3.244 4.010) 6.298 1.993 ( -2.511 -4.680 -7.633) 9.299 2.070 ( -5.242 -3.445 -2.991) 6.949 2.111 ( 2.388 6.824 3.233) 7.920 2.251 ( 0.433 0.054 -1.615) 1.672 2.348 ( -0.121 -2.451 -4.172) 4.841 2.505 ( -0.734 1.733 -0.886) 2.080 2.642 ( 4.090 7.588 4.148) 9.566 2.802 ( 0.830 -1.807 -5.912) 6.237 2.837 ( -5.227 13.779 -4.801) 15.500 2.920 ( 4.068 9.652 1.937) 10.652 3.020 ( -1.189 8.857 -2.001) 9.158 3.390 ( 2.837 -3.228 3.871) 5.783 3.505 ( 1.181 -0.620 1.077) 1.714 3.635 ( 2.525 -0.796 0.256) 2.660 3.761 ( 3.223 -0.874 -0.218) 3.347 4.070 ( -0.108 -2.894 3.870) 4.833 4.210 ( 3.848 -2.209 0.780) 4.505 4.233 ( 0.714 0.042 0.495) 0.870 4.385 ( 2.991 -1.167 -2.579) 4.118 5.073 ( 0.324 0.737 0.634) 1.025 5.117 ( 1.202 0.169 -1.305) 1.782 5.166 ( -1.156 0.535 -1.798) 2.204 5.268 ( 2.861 -1.117 -1.275) 3.325 5.390 ( -0.451 1.295 1.006) 1.701 5.512 ( -4.685 -0.820 3.111) 5.683 5.548 ( 0.665 -2.121 0.847) 2.378 5.592 ( -2.893 -0.763 2.636) 3.988 5.623 ( 2.076 -0.727 -2.890) 3.632 5.676 ( 1.870 1.074 1.035) 2.392 5.800 ( -2.412 -0.752 0.104) 2.529 5.831 ( -1.872 0.596 -1.821) 2.679 6.589 ( -0.560 0.512 1.112) 1.346 6.651 ( 0.373 0.123 -0.125) 0.412 6.666 ( 0.219 0.405 -1.136) 1.226 6.721 ( 0.745 -1.363 -0.872) 1.781 6.886 ( -0.267 -0.160 0.353) 0.471 6.937 ( -0.189 0.488 -0.022) 0.524 6.996 ( -0.327 0.769 0.576) 1.015 7.072 ( 0.316 -0.555 -0.375) 0.741 ======================= Grid point 107 (54/116) ======================= q-point: ( 0.29 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 4.448 2.323 8.256) 9.661 0.867 ( 3.872 -2.935 8.542) 9.827 0.977 ( -0.328 -1.046 3.593) 3.757 1.262 ( -3.564 -4.735 -1.923) 6.231 1.398 ( 2.758 -7.891 -1.627) 8.516 1.452 ( -1.938 -7.667 -1.130) 7.988 1.525 ( 1.557 -7.107 -3.399) 8.030 1.625 ( -4.865 -3.173 4.098) 7.108 1.800 ( 3.311 -8.554 8.042) 12.199 1.835 ( -3.315 -7.769 -4.169) 9.419 2.067 ( 1.314 2.475 -0.607) 2.867 2.124 ( -0.459 1.515 -5.123) 5.362 2.283 ( 2.367 6.185 4.157) 7.820 2.358 ( 2.628 -1.238 -0.377) 2.929 2.515 ( 2.395 1.143 -2.505) 3.650 2.642 ( -6.403 12.442 -6.190) 15.300 2.773 ( 2.668 8.430 3.373) 9.464 2.786 ( 1.293 -1.058 -7.493) 7.677 2.951 ( -1.710 8.564 -1.369) 8.839 3.037 ( 2.919 10.255 2.019) 10.852 3.407 ( -3.605 -3.664 1.452) 5.341 3.514 ( -0.389 -0.071 0.036) 0.397 3.661 ( -0.046 -0.660 0.657) 0.932 3.791 ( -0.329 -1.340 -0.012) 1.380 4.057 ( -3.340 -2.134 4.559) 6.041 4.184 ( -2.680 -4.677 -1.080) 5.497 4.296 ( 1.518 1.406 -0.491) 2.127 4.390 ( -1.231 -0.994 -2.840) 3.251 5.056 ( -0.761 0.988 -1.156) 1.701 5.158 ( 2.886 0.039 -0.043) 2.887 5.194 ( 3.364 0.913 0.107) 3.488 5.314 ( 2.134 -1.521 -2.037) 3.319 5.395 ( -0.392 0.586 1.674) 1.817 5.412 ( -5.569 -0.039 2.721) 6.198 5.509 ( -3.161 -0.841 3.108) 4.512 5.553 ( -1.983 -2.124 0.647) 2.977 5.631 ( -1.644 -0.766 -3.680) 4.103 5.715 ( 1.389 -0.559 -0.753) 1.676 5.802 ( 2.948 0.340 -3.415) 4.524 5.832 ( 4.732 0.391 -2.511) 5.371 6.581 ( -0.852 0.707 1.329) 1.730 6.656 ( 0.182 0.260 -0.047) 0.321 6.672 ( 0.859 0.469 -0.743) 1.229 6.725 ( 0.068 -0.959 -0.659) 1.166 6.876 ( -0.918 -0.148 0.600) 1.107 6.934 ( -0.016 0.222 -0.278) 0.356 6.992 ( -0.340 0.890 0.668) 1.164 7.079 ( 0.551 -0.536 -0.712) 1.048 ======================= Grid point 108 (55/116) ======================= q-point: ( 0.43 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 6.837 2.028 2.837) 7.675 0.925 ( -4.040 1.063 2.757) 5.005 0.956 ( -2.391 -0.993 2.162) 3.372 1.206 ( 0.828 -4.785 -1.187) 4.999 1.378 ( -0.183 -3.866 -4.256) 5.752 1.457 ( -0.372 -9.879 -1.920) 10.070 1.549 ( -0.270 -4.403 3.001) 5.335 1.602 ( 2.363 -0.045 6.696) 7.101 1.803 ( 0.782 1.625 -3.850) 4.252 1.932 ( 1.933 -6.322 7.164) 9.749 2.044 ( 0.752 -0.481 -2.431) 2.590 2.147 ( 3.509 -0.577 0.026) 3.556 2.370 ( 4.569 4.291 1.507) 6.446 2.444 ( 4.390 0.950 3.735) 5.841 2.486 ( -3.893 3.936 -5.263) 7.639 2.564 ( 3.502 -0.417 -2.446) 4.292 2.770 ( 1.764 -0.106 -8.484) 8.666 2.830 ( 0.342 4.319 2.223) 4.869 2.903 ( -1.584 6.299 -1.004) 6.572 3.085 ( 0.066 9.750 0.012) 9.751 3.305 ( -4.895 -1.231 -0.958) 5.137 3.455 ( -5.246 -1.791 -0.700) 5.587 3.641 ( -3.241 -1.018 3.124) 4.615 3.750 ( -3.534 -0.690 0.076) 3.602 3.996 ( -4.401 -1.168 2.566) 5.227 4.121 ( -2.008 -4.962 -2.138) 5.764 4.267 ( -4.074 1.412 -1.036) 4.435 4.320 ( -2.901 1.149 -2.836) 4.217 5.061 ( 1.718 1.287 -1.063) 2.396 5.201 ( 0.403 -0.823 -0.144) 0.928 5.248 ( -0.196 0.825 2.311) 2.462 5.303 ( -4.683 0.810 2.958) 5.598 5.340 ( 3.073 -1.015 -2.157) 3.889 5.417 ( -0.160 -0.133 0.022) 0.209 5.475 ( -1.451 -0.859 0.527) 1.767 5.514 ( -0.982 -1.095 1.321) 1.977 5.613 ( 1.672 -0.430 -1.562) 2.328 5.726 ( 1.519 0.611 -2.621) 3.090 5.861 ( 4.024 -0.707 -3.284) 5.242 5.932 ( 5.944 -0.458 -5.391) 8.038 6.572 ( -0.741 0.792 1.516) 1.864 6.661 ( 0.240 -0.311 -0.039) 0.395 6.685 ( 0.453 0.415 0.046) 0.616 6.719 ( -0.279 -0.775 -0.542) 0.986 6.859 ( -0.983 0.212 0.607) 1.174 6.933 ( 0.163 -0.005 -0.406) 0.437 6.990 ( -0.270 1.053 0.618) 1.251 7.084 ( 0.360 -0.592 -0.843) 1.091 ======================= Grid point 109 (56/116) ======================= q-point: (-0.43 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -9.572 1.870 4.582) 10.775 0.880 ( -6.224 3.721 0.803) 7.296 1.021 ( 5.882 0.575 0.233) 5.915 1.260 ( 3.368 -0.631 -1.202) 3.632 1.369 ( 0.805 -1.200 -1.805) 2.312 1.447 ( 0.125 -0.658 6.032) 6.069 1.596 ( 2.338 -6.872 2.805) 7.781 1.668 ( -2.333 6.404 -4.343) 8.082 1.778 ( 3.318 2.875 1.756) 4.728 1.942 ( -0.528 4.555 -1.749) 4.908 2.106 ( 1.463 -4.378 1.053) 4.734 2.218 ( 3.414 -2.593 -0.534) 4.320 2.467 ( 2.807 -2.410 3.768) 5.280 2.476 ( 3.895 -2.121 -0.616) 4.477 2.568 ( 6.020 2.965 3.631) 7.630 2.633 ( 3.850 -4.238 1.967) 6.054 2.761 ( 1.366 -0.623 -5.876) 6.065 2.824 ( 0.211 -0.590 -3.951) 4.001 2.864 ( -2.520 1.998 -1.466) 3.535 3.012 ( -4.373 3.336 -5.737) 7.948 3.246 ( -1.097 3.270 0.458) 3.479 3.324 ( -6.255 -1.390 -0.405) 6.420 3.572 ( -4.671 -2.128 2.613) 5.760 3.661 ( -4.707 -0.019 0.158) 4.710 3.924 ( -3.443 -0.468 2.294) 4.163 4.090 ( -0.077 -3.665 -1.810) 4.089 4.158 ( -4.865 2.375 -0.720) 5.462 4.254 ( -1.823 3.291 -3.528) 5.158 5.096 ( 1.568 0.842 -0.001) 1.780 5.170 ( -1.537 -0.247 -2.537) 2.977 5.203 ( -3.250 -0.192 1.774) 3.708 5.292 ( 0.129 1.522 3.255) 3.596 5.362 ( -2.153 -1.248 -2.155) 3.292 5.427 ( 3.751 -0.459 1.050) 3.922 5.483 ( 0.324 0.416 1.575) 1.661 5.511 ( -0.113 1.328 0.277) 1.362 5.659 ( 3.232 -1.516 -0.939) 3.691 5.758 ( 2.390 0.883 -1.576) 2.996 5.911 ( 2.693 -1.588 -3.972) 5.054 5.991 ( 2.800 -0.620 -5.778) 6.450 6.570 ( -0.378 0.610 1.547) 1.705 6.665 ( 0.171 -0.760 0.053) 0.780 6.689 ( -0.132 -0.098 0.495) 0.522 6.708 ( -0.441 -0.842 -0.629) 1.140 6.848 ( -0.219 0.709 0.296) 0.799 6.935 ( 0.183 -0.047 -0.340) 0.389 6.989 ( -0.156 1.058 0.574) 1.213 7.085 ( 0.321 -0.716 -0.907) 1.199 ======================= Grid point 110 (57/116) ======================= q-point: (-0.29 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -6.331 5.877 9.477) 12.824 0.716 ( -9.763 7.856 1.357) 12.605 1.099 ( 0.578 0.135 2.610) 2.677 1.299 ( 0.845 2.218 0.817) 2.511 1.377 ( 0.474 -2.283 -0.331) 2.355 1.493 ( -4.574 3.160 3.662) 6.657 1.558 ( 2.140 6.450 -4.601) 8.207 1.683 ( 4.466 -0.687 4.180) 6.155 1.888 ( 1.459 3.261 -2.390) 4.298 1.948 ( 4.402 1.193 3.464) 5.727 2.083 ( -2.024 -1.612 -2.317) 3.473 2.275 ( 2.219 -2.797 -1.440) 3.849 2.455 ( -2.959 0.001 -3.988) 4.965 2.574 ( -0.460 -5.142 1.240) 5.310 2.687 ( 2.592 -1.926 4.849) 5.825 2.715 ( 1.410 -5.641 0.750) 5.863 2.766 ( -1.422 -4.780 -5.266) 7.253 2.790 ( 4.160 0.428 3.090) 5.200 2.842 ( 0.992 1.303 -4.477) 4.767 2.903 ( -1.344 -1.871 -5.370) 5.843 3.242 ( -0.991 1.380 -0.696) 1.837 3.245 ( 1.098 1.722 0.783) 2.187 3.510 ( -1.285 -1.862 -0.003) 2.262 3.584 ( -2.242 -1.500 -1.009) 2.880 3.901 ( -0.127 0.475 2.897) 2.938 4.062 ( -2.807 2.245 -0.776) 3.677 4.117 ( 2.184 -0.717 -0.790) 2.431 4.220 ( 0.365 3.069 -2.093) 3.733 5.111 ( -0.453 -0.139 0.428) 0.639 5.142 ( 0.271 0.308 -2.411) 2.446 5.165 ( -1.129 0.224 0.752) 1.375 5.274 ( -1.613 -0.650 -1.443) 2.260 5.365 ( 1.610 1.565 3.138) 3.859 5.448 ( -1.617 2.321 -2.279) 3.632 5.499 ( 1.287 -0.897 1.031) 1.877 5.542 ( 1.619 0.783 3.014) 3.509 5.715 ( 1.784 -1.325 0.584) 2.298 5.783 ( 0.163 0.993 0.497) 1.122 5.916 ( -0.149 -2.334 -4.093) 4.714 5.982 ( -0.562 -0.250 -3.850) 3.899 6.574 ( -0.029 0.429 1.344) 1.411 6.668 ( 0.139 -0.974 0.050) 0.985 6.685 ( -0.464 -0.583 -0.212) 0.775 6.696 ( -0.368 -0.945 -0.274) 1.051 6.854 ( 0.650 0.931 -0.094) 1.140 6.937 ( 0.161 0.130 -0.150) 0.256 6.990 ( -0.005 0.941 0.566) 1.098 7.087 ( 0.358 -0.989 -1.103) 1.524 ======================= Grid point 111 (58/116) ======================= q-point: (-0.14 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -9.454 6.367 5.124) 12.497 0.652 ( -0.219 9.660 11.823) 15.269 1.063 ( -7.156 0.920 9.458) 11.896 1.317 ( 0.321 2.182 2.171) 3.095 1.366 ( -4.421 1.247 -0.080) 4.594 1.402 ( 1.129 -2.933 -1.767) 3.605 1.620 ( 2.186 -1.081 -0.294) 2.456 1.810 ( 3.849 4.533 3.324) 6.812 1.876 ( 0.304 3.172 0.116) 3.189 2.034 ( -0.702 0.486 -2.733) 2.863 2.041 ( 0.097 -0.787 0.119) 0.802 2.281 ( -0.256 -0.100 -3.476) 3.487 2.350 ( -2.648 -0.763 -4.231) 5.050 2.472 ( -4.244 -10.294 -4.739) 12.101 2.664 ( -4.839 -4.296 -2.219) 6.841 2.698 ( -7.325 -3.386 -6.245) 10.204 2.742 ( 1.145 0.392 2.351) 2.644 2.819 ( 2.987 -2.284 -4.390) 5.780 2.863 ( 3.246 0.432 5.608) 6.494 2.998 ( 4.583 5.112 3.857) 7.875 3.259 ( 3.072 1.319 -3.466) 4.815 3.316 ( 4.829 -0.367 1.797) 5.166 3.528 ( 1.696 -2.723 0.146) 3.212 3.575 ( 3.227 -0.567 -2.277) 3.990 3.949 ( 2.954 -0.220 2.383) 3.801 4.022 ( 0.359 2.274 -1.378) 2.683 4.180 ( 3.192 -1.596 0.585) 3.616 4.247 ( 2.809 1.597 -0.513) 3.271 5.089 ( -1.335 0.079 -0.132) 1.344 5.134 ( -0.604 -0.206 -0.293) 0.703 5.175 ( 2.205 0.131 -1.714) 2.796 5.251 ( -0.325 0.265 -1.119) 1.195 5.401 ( -0.870 2.059 -0.998) 2.447 5.411 ( 0.648 1.553 2.379) 2.914 5.528 ( 1.606 -0.486 -0.133) 1.684 5.580 ( 0.219 0.025 3.113) 3.121 5.719 ( -2.297 -0.316 2.388) 3.328 5.762 ( -3.369 1.238 2.166) 4.192 5.872 ( -1.635 -1.776 -1.070) 2.641 5.942 ( -1.730 -0.258 -1.887) 2.572 6.582 ( 0.131 0.415 1.074) 1.159 6.665 ( -0.641 -0.909 -0.450) 1.200 6.674 ( 0.068 -0.659 -0.608) 0.899 6.694 ( 0.314 -1.060 -0.210) 1.125 6.870 ( 0.864 0.680 -0.226) 1.122 6.939 ( 0.077 0.424 0.065) 0.436 6.994 ( 0.084 0.862 0.500) 1.000 7.085 ( -0.035 -1.191 -1.095) 1.618 ======================= Grid point 112 (59/116) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -6.925 9.511 3.876) 12.387 0.855 ( -0.617 2.056 5.118) 5.550 0.970 ( -8.137 1.587 9.287) 12.449 1.228 ( -5.248 -4.971 4.791) 8.672 1.329 ( -1.853 -1.795 -2.135) 3.349 1.396 ( -1.045 2.632 0.046) 2.833 1.556 ( -3.174 -2.570 -3.708) 5.516 1.677 ( -10.182 -9.091 -10.995) 17.527 1.798 ( -3.631 -0.327 -1.626) 3.991 1.972 ( -3.234 -7.371 -8.160) 11.462 2.131 ( -1.772 0.814 1.152) 2.265 2.166 ( 0.386 2.262 -0.322) 2.317 2.271 ( 0.787 0.886 -3.553) 3.745 2.319 ( -0.083 -2.463 -3.497) 4.278 2.566 ( -1.320 2.019 2.271) 3.313 2.648 ( 3.764 4.417 6.070) 8.397 2.768 ( 0.993 -1.305 -2.793) 3.239 2.933 ( 7.108 5.920 4.287) 10.196 3.005 ( 5.758 -0.240 9.028) 10.710 3.203 ( 4.156 1.982 4.554) 6.476 3.307 ( 0.830 2.801 -3.916) 4.885 3.416 ( 4.237 0.244 1.527) 4.511 3.549 ( 3.105 0.476 -1.763) 3.602 3.653 ( 5.445 -1.643 -2.324) 6.145 4.007 ( 0.524 0.201 1.648) 1.741 4.075 ( 3.371 -1.625 -0.445) 3.768 4.205 ( 1.621 0.072 0.271) 1.645 4.290 ( 3.474 -2.419 -3.173) 5.290 5.090 ( -0.156 0.935 0.230) 0.976 5.113 ( -0.189 -0.265 -0.430) 0.540 5.201 ( 0.455 0.167 -2.071) 2.126 5.226 ( 0.059 -0.744 -1.719) 1.874 5.427 ( -0.610 1.682 0.650) 1.903 5.466 ( 1.804 0.358 -0.015) 1.839 5.534 ( -0.579 -0.372 1.205) 1.388 5.585 ( 0.160 -1.438 0.638) 1.581 5.672 ( -3.896 0.811 1.839) 4.384 5.713 ( -3.688 0.214 2.103) 4.251 5.828 ( -1.755 0.184 1.631) 2.403 5.879 ( -2.307 -1.016 0.178) 2.527 6.604 ( -0.121 0.958 1.247) 1.577 6.644 ( 0.173 -0.147 0.226) 0.321 6.665 ( 0.295 -0.711 -0.163) 0.787 6.673 ( 0.753 -1.472 0.092) 1.656 6.897 ( 0.290 1.161 -0.860) 1.473 6.943 ( 0.016 -0.447 -0.558) 0.715 7.016 ( -0.057 0.969 0.315) 1.021 7.055 ( -0.040 -1.014 -0.085) 1.018 ======================= Grid point 113 (60/116) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 2.945 2.058 11.073) 11.641 0.848 ( -2.809 1.738 6.097) 6.934 0.893 ( -3.494 -2.478 7.378) 8.531 1.160 ( -2.610 -6.926 3.594) 8.228 1.286 ( -1.990 -4.896 -1.289) 5.440 1.389 ( -0.463 -4.874 -3.360) 5.938 1.413 ( -7.285 -7.503 -6.153) 12.133 1.502 ( -1.434 -4.794 -1.968) 5.377 1.732 ( -3.088 -0.139 2.255) 3.826 1.829 ( -5.428 -6.413 -3.838) 9.237 2.107 ( -0.156 2.309 -2.013) 3.067 2.168 ( -0.038 -0.020 -4.428) 4.428 2.299 ( 2.396 2.296 1.035) 3.476 2.319 ( 2.528 0.349 -3.216) 4.106 2.547 ( -0.900 2.839 1.335) 3.264 2.722 ( 0.950 -4.043 -2.768) 4.991 2.839 ( 4.862 10.075 6.758) 13.070 3.079 ( 0.559 7.323 0.663) 7.374 3.124 ( 5.102 9.471 2.953) 11.155 3.222 ( -1.908 9.614 -1.905) 9.985 3.310 ( 0.687 -3.219 1.956) 3.829 3.485 ( 1.405 -1.833 -0.035) 2.310 3.610 ( 3.468 -1.003 -0.833) 3.705 3.726 ( 2.664 -2.835 -2.188) 4.464 4.020 ( -0.535 -1.476 3.215) 3.578 4.118 ( -0.418 -5.341 1.170) 5.483 4.260 ( 4.034 1.554 -1.272) 4.507 4.347 ( 3.278 -2.478 -3.351) 5.302 5.091 ( -0.246 0.944 0.820) 1.274 5.117 ( 0.646 -0.228 0.205) 0.715 5.184 ( 0.451 1.191 -2.300) 2.629 5.242 ( 2.245 -1.458 -1.896) 3.280 5.421 ( -0.572 1.711 1.156) 2.143 5.492 ( -1.979 -1.577 1.978) 3.212 5.516 ( -1.549 -0.414 1.021) 1.900 5.563 ( -2.849 -1.815 1.163) 3.573 5.621 ( 0.087 0.567 -0.698) 0.903 5.678 ( -0.493 -1.112 -0.055) 1.218 5.800 ( -1.109 0.893 1.106) 1.803 5.836 ( -1.441 -0.170 -0.551) 1.552 6.605 ( -0.450 1.098 1.415) 1.847 6.654 ( 0.231 -0.178 0.852) 0.901 6.671 ( 0.629 0.095 -0.770) 0.999 6.691 ( 0.853 -1.293 -0.075) 1.551 6.894 ( -0.147 0.898 -0.714) 1.157 6.936 ( -0.220 -0.597 -0.733) 0.971 7.016 ( -0.134 1.136 0.462) 1.233 7.057 ( 0.333 -0.871 -0.140) 0.943 ======================= Grid point 114 (61/116) ======================= q-point: ( 0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 8.709 -1.045 9.735) 13.104 0.859 ( 1.750 1.191 4.722) 5.175 0.912 ( 1.346 -4.158 6.164) 7.556 1.170 ( 0.353 -6.570 3.608) 7.504 1.217 ( -3.989 -5.106 -2.306) 6.878 1.266 ( -0.511 -7.277 -4.051) 8.344 1.404 ( 1.483 -5.009 1.338) 5.392 1.511 ( 1.015 -8.274 4.212) 9.340 1.703 ( -1.393 -0.755 4.017) 4.319 1.746 ( -1.682 -2.459 1.500) 3.335 2.088 ( -0.539 0.742 -3.075) 3.209 2.135 ( 0.179 -0.299 -5.098) 5.110 2.354 ( 3.345 2.052 -2.149) 4.474 2.387 ( 3.897 2.395 1.967) 4.979 2.551 ( 1.090 2.525 -0.395) 2.779 2.707 ( 0.049 -3.736 -5.012) 6.252 2.933 ( -2.700 11.997 0.772) 12.321 2.984 ( -2.110 12.113 -3.443) 12.768 3.142 ( -3.729 8.981 -3.938) 10.491 3.230 ( 1.508 5.431 1.185) 5.760 3.330 ( -0.712 -1.940 3.342) 3.929 3.472 ( -1.872 -4.070 -2.362) 5.064 3.653 ( 0.912 -0.258 -0.583) 1.113 3.739 ( -0.071 -3.819 -1.672) 4.170 4.018 ( -2.240 -1.313 5.061) 5.688 4.082 ( -3.027 -4.813 0.614) 5.719 4.317 ( 1.416 0.774 -0.787) 1.795 4.363 ( -0.376 -1.634 -2.166) 2.739 5.083 ( -0.252 1.587 0.056) 1.608 5.147 ( 1.587 -1.150 1.493) 2.464 5.220 ( 3.564 1.598 -0.806) 3.988 5.283 ( 2.388 -1.516 -1.651) 3.275 5.406 ( -4.514 0.849 3.583) 5.826 5.425 ( -1.523 1.062 0.249) 1.873 5.482 ( -2.349 -1.651 2.629) 3.893 5.504 ( -2.901 -2.554 -0.265) 3.874 5.624 ( -0.185 0.315 -2.512) 2.538 5.686 ( 1.723 -2.062 -1.665) 3.162 5.818 ( 2.564 1.032 -2.451) 3.694 5.839 ( 3.181 0.143 -1.614) 3.569 6.602 ( -0.699 1.386 1.698) 2.300 6.657 ( -0.242 -0.467 0.558) 0.767 6.682 ( 0.614 0.444 -0.347) 0.833 6.702 ( 0.279 -0.997 -0.140) 1.044 6.884 ( -0.353 0.900 -0.744) 1.220 6.928 ( -0.021 -0.743 -0.935) 1.195 7.016 ( -0.098 1.356 0.497) 1.448 7.064 ( 0.397 -0.935 -0.389) 1.088 ======================= Grid point 115 (62/116) ======================= q-point: ( 0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 4.605 0.974 2.508) 5.334 0.943 ( 1.090 1.190 4.555) 4.832 0.958 ( -0.622 1.753 2.144) 2.839 1.151 ( 3.060 0.718 4.426) 5.429 1.263 ( 4.327 -9.115 -1.513) 10.203 1.297 ( 3.404 -2.275 5.035) 6.490 1.473 ( 1.548 -4.575 4.843) 6.839 1.580 ( 3.107 -4.024 10.081) 11.290 1.749 ( 4.132 -5.901 4.264) 8.371 1.777 ( 3.102 -4.391 3.916) 6.651 2.047 ( -1.139 1.341 -4.456) 4.791 2.128 ( 1.284 -1.324 -2.997) 3.519 2.413 ( 3.273 1.943 -1.275) 4.014 2.480 ( 3.721 0.577 1.915) 4.225 2.582 ( 2.115 2.437 -2.333) 3.982 2.647 ( -3.616 4.850 -6.060) 8.563 2.797 ( -2.147 6.148 -7.903) 10.241 2.939 ( -4.307 7.154 -2.873) 8.831 3.042 ( -5.227 3.792 -3.054) 7.143 3.172 ( -4.635 -0.251 -3.777) 5.984 3.333 ( -0.937 2.476 0.088) 2.649 3.390 ( -4.313 -3.091 -1.550) 5.528 3.638 ( -2.887 0.389 1.320) 3.198 3.709 ( -2.229 -3.056 -0.806) 3.867 3.977 ( -4.298 -0.506 4.373) 6.152 4.031 ( -1.660 -3.560 0.692) 3.988 4.289 ( -3.310 1.128 -0.624) 3.552 4.333 ( -1.219 -0.126 -0.770) 1.448 5.094 ( 1.153 1.883 0.040) 2.208 5.174 ( -0.086 -1.858 0.848) 2.044 5.270 ( -1.414 1.426 2.277) 3.037 5.314 ( -0.730 -0.276 1.526) 1.714 5.339 ( 1.767 1.149 -0.152) 2.113 5.403 ( -2.776 -1.575 -0.767) 3.282 5.454 ( 0.434 -0.397 0.967) 1.132 5.490 ( 1.065 -1.278 1.617) 2.320 5.620 ( 1.451 1.144 -2.406) 3.034 5.708 ( 1.991 -2.208 -3.061) 4.268 5.864 ( 3.481 1.093 -3.617) 5.138 5.917 ( 4.838 -1.010 -3.808) 6.239 6.596 ( -0.891 1.515 1.827) 2.535 6.654 ( -0.315 -0.597 0.479) 0.827 6.686 ( -0.278 -0.217 0.279) 0.450 6.701 ( -0.215 -0.788 -0.429) 0.923 6.874 ( -0.075 1.247 -0.907) 1.544 6.926 ( 0.278 -0.798 -0.977) 1.291 7.016 ( -0.153 1.460 0.389) 1.518 7.067 ( 0.192 -1.013 -0.535) 1.162 ======================= Grid point 116 (63/116) ======================= q-point: (-0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -6.442 4.390 5.498) 9.539 0.939 ( -3.005 1.344 2.270) 3.998 1.046 ( 4.385 3.138 0.115) 5.393 1.289 ( 3.911 2.032 3.098) 5.387 1.323 ( 2.657 -3.617 0.679) 4.539 1.442 ( 2.965 -0.176 10.477) 10.890 1.524 ( 4.976 1.777 7.092) 8.843 1.733 ( 5.544 1.285 5.231) 7.730 1.854 ( 2.688 0.695 -1.992) 3.417 1.914 ( 5.290 -7.289 7.973) 12.028 2.014 ( 1.023 -1.578 -2.153) 2.859 2.159 ( 2.927 -4.511 0.002) 5.378 2.421 ( -2.268 3.439 -8.304) 9.269 2.507 ( 0.327 2.678 0.587) 2.761 2.566 ( 1.447 -2.288 0.528) 2.758 2.649 ( 2.951 2.487 0.109) 3.860 2.777 ( 2.395 0.678 -6.442) 6.906 2.825 ( -4.790 1.131 -3.819) 6.229 2.853 ( -7.594 -1.523 -7.792) 10.986 3.041 ( -5.116 -0.865 -8.196) 9.701 3.279 ( -2.857 -0.339 0.032) 2.878 3.316 ( -3.256 1.139 0.915) 3.569 3.559 ( -4.848 0.668 1.233) 5.047 3.635 ( -4.361 -2.183 -0.825) 4.946 3.926 ( -2.371 0.836 3.789) 4.547 4.020 ( -0.042 -3.263 0.610) 3.320 4.221 ( -2.789 3.554 0.332) 4.530 4.298 ( -1.450 0.785 -1.723) 2.385 5.117 ( 0.577 1.131 0.450) 1.347 5.160 ( -0.833 -0.782 -0.482) 1.240 5.215 ( -3.037 1.417 1.024) 3.505 5.297 ( -2.556 -1.430 0.946) 3.077 5.360 ( 0.829 1.221 0.117) 1.480 5.412 ( 2.881 -0.929 0.734) 3.114 5.494 ( 1.815 0.880 2.327) 3.079 5.527 ( 1.019 -0.001 1.244) 1.608 5.651 ( 2.847 0.775 -2.262) 3.718 5.740 ( 2.769 -2.457 -3.227) 4.910 5.903 ( 1.951 0.958 -3.250) 3.910 5.969 ( 2.199 -1.532 -3.981) 4.799 6.589 ( -0.711 1.347 1.760) 2.328 6.651 ( -0.321 -0.894 0.640) 1.145 6.677 ( -0.725 -0.808 0.574) 1.228 6.689 ( -0.552 -0.890 -0.776) 1.303 6.873 ( 0.491 1.592 -1.037) 1.962 6.928 ( 0.447 -0.726 -0.846) 1.201 7.015 ( -0.206 1.407 0.332) 1.460 7.066 ( 0.041 -1.123 -0.562) 1.256 ======================= Grid point 117 (64/116) ======================= q-point: (-0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -3.776 6.505 6.304) 9.814 0.862 ( -5.540 5.358 2.961) 8.256 1.103 ( 0.483 0.859 2.071) 2.294 1.296 ( -2.046 -5.092 1.797) 5.774 1.389 ( 0.536 5.000 4.109) 6.494 1.498 ( -0.275 -0.872 6.300) 6.366 1.740 ( -0.928 9.361 -6.525) 11.448 1.767 ( 6.639 8.620 6.946) 12.908 1.914 ( 4.680 0.527 1.628) 4.983 1.992 ( 0.362 1.335 2.219) 2.615 2.036 ( 0.784 -2.984 -4.032) 5.077 2.211 ( 1.725 -3.958 -0.713) 4.376 2.395 ( 0.486 -5.840 -1.332) 6.010 2.504 ( -1.580 -0.664 1.790) 2.478 2.535 ( -7.115 -7.993 -8.612) 13.736 2.620 ( 1.438 -5.995 1.465) 6.337 2.741 ( 0.985 1.484 -1.381) 2.254 2.797 ( 0.733 -0.037 -1.741) 1.889 2.846 ( 5.349 -0.512 0.815) 5.435 2.884 ( -4.355 -0.343 -7.241) 8.457 3.260 ( 0.717 0.502 2.031) 2.212 3.270 ( -0.899 0.474 -0.006) 1.017 3.491 ( -1.209 0.452 -0.827) 1.533 3.554 ( -1.867 -1.607 -2.277) 3.355 3.928 ( 0.254 1.990 3.398) 3.946 4.033 ( 0.952 -2.949 0.435) 3.130 4.180 ( -1.389 4.466 -0.227) 4.682 4.264 ( -0.550 0.976 -1.964) 2.261 5.114 ( -0.843 0.573 0.225) 1.044 5.147 ( -0.530 -0.229 -0.305) 0.653 5.178 ( -0.614 1.302 -0.423) 1.501 5.252 ( -1.088 -1.567 -1.033) 2.170 5.401 ( 1.711 1.801 2.197) 3.316 5.459 ( 1.536 -1.046 -0.381) 1.897 5.514 ( -0.823 2.038 0.650) 2.292 5.554 ( 0.867 0.275 2.434) 2.598 5.703 ( 2.510 0.272 -0.444) 2.564 5.771 ( 1.383 -2.063 -1.576) 2.941 5.899 ( -0.989 0.749 -1.721) 2.121 5.962 ( -0.789 -1.550 -2.378) 2.946 6.589 ( -0.252 1.085 1.559) 1.916 6.649 ( -0.170 -1.119 0.597) 1.280 6.666 ( -0.558 -1.074 0.336) 1.256 6.672 ( -0.604 -1.023 -0.605) 1.333 6.881 ( 0.863 1.640 -1.098) 2.154 6.934 ( 0.552 -0.557 -0.660) 1.025 7.013 ( -0.123 1.240 0.365) 1.298 7.063 ( -0.046 -1.273 -0.521) 1.377 ======================= Grid point 118 (65/116) ======================= q-point: (-0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -7.922 8.992 1.047) 12.030 0.825 ( -0.645 6.140 7.163) 9.456 1.077 ( -5.289 0.646 5.113) 7.385 1.268 ( -2.114 -6.426 4.336) 8.035 1.386 ( -2.672 4.261 3.622) 6.197 1.464 ( -4.806 3.893 -0.750) 6.230 1.630 ( -1.765 3.441 -6.793) 7.817 1.880 ( -3.332 2.008 -3.840) 5.467 1.901 ( -2.185 -2.401 -4.792) 5.788 2.017 ( 0.411 -1.312 -4.179) 4.399 2.070 ( 3.152 2.771 5.506) 6.924 2.231 ( -0.657 -5.565 -1.159) 5.722 2.320 ( -1.797 -1.837 -5.979) 6.508 2.336 ( -3.377 -1.725 -3.801) 5.370 2.562 ( -1.102 -3.316 0.005) 3.495 2.628 ( -1.177 -3.382 2.955) 4.642 2.761 ( 1.921 -1.340 -2.126) 3.163 2.811 ( 2.240 1.405 0.693) 2.734 2.841 ( 3.641 0.364 6.059) 7.078 3.033 ( 7.851 -2.257 7.673) 11.208 3.285 ( 2.643 1.796 -2.536) 4.079 3.324 ( 3.771 0.424 1.782) 4.193 3.501 ( 2.313 0.517 -1.774) 2.960 3.561 ( 4.175 -0.982 -3.171) 5.334 3.967 ( 1.837 1.785 2.504) 3.582 4.046 ( 0.315 -0.626 -1.043) 1.257 4.173 ( 1.106 1.573 -0.072) 1.924 4.258 ( 1.092 -0.620 -1.916) 2.291 5.097 ( -0.674 0.698 0.048) 0.972 5.128 ( -0.962 -0.451 -0.176) 1.077 5.184 ( 1.513 0.908 -1.648) 2.415 5.239 ( -0.095 -1.269 -1.093) 1.677 5.436 ( 0.258 1.338 1.606) 2.106 5.454 ( -0.900 1.929 -0.857) 2.294 5.520 ( 1.240 0.127 0.027) 1.246 5.575 ( 0.012 -0.763 1.920) 2.066 5.721 ( -1.375 0.589 1.391) 2.043 5.770 ( -1.737 -0.821 0.879) 2.113 5.856 ( -2.138 0.677 0.487) 2.295 5.923 ( -1.981 -1.518 -0.525) 2.550 6.596 ( 0.086 0.979 1.342) 1.663 6.647 ( -0.362 -0.884 0.120) 0.963 6.659 ( 0.221 -0.727 -0.481) 0.899 6.665 ( -0.140 -1.528 0.584) 1.642 6.892 ( 0.724 1.454 -1.047) 1.933 6.941 ( 0.418 -0.418 -0.542) 0.802 7.014 ( 0.012 1.041 0.349) 1.098 7.059 ( -0.156 -1.276 -0.342) 1.330 ======================= Grid point 119 (66/116) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -5.109 -10.014 0.231) 11.244 0.746 ( -5.109 10.014 0.231) 11.244 1.090 ( -5.775 -7.780 9.035) 13.248 1.090 ( -5.775 7.780 9.035) 13.248 1.379 ( -5.454 -4.808 -4.204) 8.398 1.379 ( -5.454 4.808 -4.204) 8.398 1.551 ( -6.536 -3.290 -7.859) 10.738 1.551 ( -6.536 3.290 -7.859) 10.738 1.834 ( -4.188 -4.465 -4.510) 7.603 1.834 ( -4.188 4.465 -4.510) 7.603 2.170 ( 0.282 -1.641 -1.282) 2.101 2.170 ( 0.282 1.641 -1.282) 2.101 2.287 ( 0.826 -0.818 -2.453) 2.714 2.287 ( 0.826 0.818 -2.453) 2.714 2.630 ( 0.199 -3.850 1.741) 4.231 2.630 ( 0.199 3.850 1.741) 4.231 2.863 ( 6.142 -7.727 8.511) 13.033 2.863 ( 6.142 7.727 8.511) 13.033 3.120 ( 7.629 -7.353 5.582) 11.976 3.120 ( 7.629 7.353 5.582) 11.976 3.392 ( 2.460 -3.252 -0.188) 4.082 3.392 ( 2.460 3.252 -0.188) 4.082 3.600 ( 4.141 -3.510 -3.370) 6.389 3.600 ( 4.141 3.510 -3.370) 6.389 4.032 ( 0.153 -2.139 0.659) 2.244 4.032 ( 0.153 2.139 0.659) 2.244 4.235 ( 3.006 -2.589 -2.885) 4.905 4.235 ( 3.006 2.589 -2.885) 4.905 5.105 ( -0.131 -0.581 0.188) 0.625 5.105 ( -0.131 0.581 0.188) 0.625 5.210 ( 0.364 -0.726 -2.132) 2.282 5.210 ( 0.364 0.726 -2.132) 2.282 5.457 ( -0.366 -1.182 0.741) 1.443 5.457 ( -0.366 1.182 0.741) 1.443 5.550 ( -0.030 -1.709 0.376) 1.750 5.550 ( -0.030 1.709 0.376) 1.750 5.696 ( -3.632 -1.421 1.353) 4.129 5.696 ( -3.632 1.421 1.353) 4.129 5.851 ( -2.012 -1.612 1.560) 3.014 5.851 ( -2.012 1.612 1.560) 3.014 6.628 ( -0.172 -1.410 1.527) 2.085 6.628 ( -0.172 1.410 1.527) 2.085 6.657 ( 0.866 -0.415 -0.324) 1.014 6.657 ( 0.866 0.415 -0.324) 1.014 6.923 ( 0.128 -1.320 -1.014) 1.669 6.923 ( 0.128 1.320 -1.014) 1.669 7.035 ( 0.011 -0.964 0.204) 0.985 7.035 ( 0.011 0.964 0.204) 0.985 ======================= Grid point 121 (67/116) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -1.762 -10.905 3.129) 11.481 0.671 ( -1.762 10.905 3.129) 11.481 1.017 ( -5.170 -7.697 7.388) 11.856 1.017 ( -5.170 7.697 7.388) 11.856 1.251 ( -3.186 -3.153 -5.045) 6.749 1.251 ( -3.186 3.153 -5.045) 6.749 1.424 ( -3.376 -2.968 -3.305) 5.580 1.424 ( -3.376 2.968 -3.305) 5.580 1.748 ( -3.051 -2.072 0.619) 3.740 1.748 ( -3.051 2.072 0.619) 3.740 2.146 ( -0.608 -1.694 -3.932) 4.324 2.146 ( -0.608 1.694 -3.932) 4.324 2.325 ( 3.461 -0.697 -1.332) 3.773 2.325 ( 3.461 0.697 -1.332) 3.773 2.627 ( -0.329 -4.852 -0.497) 4.888 2.627 ( -0.329 4.852 -0.497) 4.888 3.039 ( 5.177 -8.533 8.379) 13.032 3.039 ( 5.177 8.533 8.379) 13.032 3.263 ( 2.918 -3.541 1.087) 4.716 3.263 ( 2.918 3.541 1.087) 4.716 3.399 ( -0.864 -6.802 -0.480) 6.873 3.399 ( -0.864 6.802 -0.480) 6.873 3.647 ( 2.457 -4.392 -3.849) 6.336 3.647 ( 2.457 4.392 -3.849) 6.336 4.030 ( -0.858 -2.696 1.951) 3.437 4.030 ( -0.858 2.696 1.951) 3.437 4.297 ( 3.846 -2.273 -2.712) 5.226 4.297 ( 3.846 2.273 -2.712) 5.226 5.108 ( -0.052 -0.701 0.999) 1.221 5.108 ( -0.052 0.701 0.999) 1.221 5.212 ( 1.582 -1.519 -2.469) 3.302 5.212 ( 1.582 1.519 -2.469) 3.302 5.456 ( -0.641 -1.833 1.399) 2.393 5.456 ( -0.641 1.833 1.399) 2.393 5.529 ( -2.946 -1.371 1.048) 3.414 5.529 ( -2.946 1.371 1.048) 3.414 5.645 ( -0.894 -1.711 -0.311) 1.955 5.645 ( -0.894 1.711 -0.311) 1.955 5.823 ( -0.970 -1.073 0.603) 1.567 5.823 ( -0.970 1.073 0.603) 1.567 6.632 ( -0.284 -1.556 1.589) 2.242 6.632 ( -0.284 1.556 1.589) 2.242 6.676 ( 1.039 -0.443 -0.354) 1.184 6.676 ( 1.039 0.443 -0.354) 1.184 6.917 ( -0.166 -1.223 -1.083) 1.642 6.917 ( -0.166 1.223 -1.083) 1.642 7.038 ( 0.150 -1.060 0.193) 1.088 7.038 ( 0.150 1.060 0.193) 1.088 ======================= Grid point 123 (68/116) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 6.665 -4.762 7.736) 11.267 0.755 ( 6.665 4.762 7.736) 11.267 0.998 ( 0.699 -7.874 3.190) 8.524 0.998 ( 0.699 7.874 3.190) 8.524 1.202 ( -1.051 -1.319 1.473) 2.239 1.202 ( -1.051 1.319 1.473) 2.239 1.377 ( -0.036 -3.604 0.867) 3.707 1.377 ( -0.036 3.604 0.867) 3.707 1.712 ( -1.644 -1.134 2.969) 3.578 1.712 ( -1.644 1.134 2.969) 3.578 2.113 ( -0.216 -1.546 -4.298) 4.573 2.113 ( -0.216 1.546 -4.298) 4.573 2.394 ( 3.865 -1.357 -1.400) 4.329 2.394 ( 3.865 1.357 -1.400) 4.329 2.622 ( 0.610 -4.321 -1.464) 4.603 2.622 ( 0.610 4.321 -1.464) 4.603 3.125 ( -1.581 -5.967 3.246) 6.974 3.125 ( -1.581 5.967 3.246) 6.974 3.216 ( -4.350 -3.682 -5.089) 7.641 3.216 ( -4.350 3.682 -5.089) 7.641 3.389 ( -0.413 -3.442 -0.874) 3.575 3.389 ( -0.413 3.442 -0.874) 3.575 3.665 ( 1.125 -2.373 -2.196) 3.423 3.665 ( 1.125 2.373 -2.196) 3.423 4.017 ( -2.224 -1.479 3.762) 4.614 4.017 ( -2.224 1.479 3.762) 4.614 4.334 ( 0.657 -1.102 -1.373) 1.880 4.334 ( 0.657 1.102 -1.373) 1.880 5.117 ( 0.407 -1.726 1.259) 2.175 5.117 ( 0.407 1.726 1.259) 2.175 5.252 ( 3.133 -1.573 -1.106) 3.676 5.252 ( 3.133 1.573 -1.106) 3.676 5.433 ( -3.446 -1.300 2.419) 4.406 5.433 ( -3.446 1.300 2.419) 4.406 5.463 ( -2.199 -1.009 0.250) 2.432 5.463 ( -2.199 1.009 0.250) 2.432 5.646 ( 0.981 -1.762 -2.046) 2.873 5.646 ( 0.981 1.762 -2.046) 2.873 5.835 ( 2.571 -0.544 -1.752) 3.158 5.835 ( 2.571 0.544 -1.752) 3.158 6.634 ( -0.540 -1.616 1.686) 2.397 6.634 ( -0.540 1.616 1.686) 2.397 6.690 ( 0.435 -0.387 -0.402) 0.707 6.690 ( 0.435 0.387 -0.402) 0.707 6.907 ( -0.039 -1.260 -1.249) 1.774 6.907 ( -0.039 1.260 -1.249) 1.774 7.042 ( 0.168 -1.216 0.069) 1.230 7.042 ( 0.168 1.216 0.069) 1.230 ======================= Grid point 125 (69/116) ======================= q-point: ( 0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 2.643 -1.398 4.744) 5.608 0.925 ( 2.643 1.398 4.744) 5.608 1.073 ( 5.214 -8.391 0.540) 9.894 1.073 ( 5.214 8.391 0.540) 9.894 1.246 ( 3.914 -6.018 9.242) 11.703 1.246 ( 3.914 6.018 9.242) 11.703 1.448 ( 4.630 -5.182 7.752) 10.410 1.448 ( 4.630 5.182 7.752) 10.410 1.720 ( 1.192 -1.453 2.875) 3.434 1.720 ( 1.192 1.453 2.875) 3.434 2.089 ( 0.283 -2.381 -4.388) 5.001 2.089 ( 0.283 2.381 -4.388) 5.001 2.458 ( 2.962 -2.177 -1.183) 3.862 2.458 ( 2.962 2.177 -1.183) 3.862 2.639 ( 1.884 -2.739 -2.006) 3.883 2.639 ( 1.884 2.739 -2.006) 3.883 2.979 ( -9.553 -8.000 -5.337) 13.555 2.979 ( -9.553 8.000 -5.337) 13.555 3.101 ( -4.603 -7.816 -7.304) 11.646 3.101 ( -4.603 7.816 -7.304) 11.646 3.363 ( -1.898 -2.543 -0.439) 3.204 3.363 ( -1.898 2.543 -0.439) 3.204 3.656 ( -1.796 -1.761 -0.101) 2.517 3.656 ( -1.796 1.761 -0.101) 2.517 3.984 ( -2.874 -1.297 3.840) 4.968 3.984 ( -2.874 1.297 3.840) 4.968 4.316 ( -1.568 -1.356 -0.077) 2.074 4.316 ( -1.568 1.356 -0.077) 2.074 5.134 ( 0.399 -2.060 0.991) 2.321 5.134 ( 0.399 2.060 0.991) 2.321 5.299 ( -0.228 -1.229 1.946) 2.313 5.299 ( -0.228 1.229 1.946) 2.313 5.367 ( -1.452 -1.617 -0.589) 2.251 5.367 ( -1.452 1.617 -0.589) 2.251 5.464 ( 1.343 -1.132 1.436) 2.268 5.464 ( 1.343 1.132 1.436) 2.268 5.657 ( 1.735 -2.454 -3.008) 4.252 5.657 ( 1.735 2.454 -3.008) 4.252 5.892 ( 3.873 -1.424 -3.455) 5.382 5.892 ( 3.873 1.424 -3.455) 5.382 6.629 ( -0.847 -1.684 1.804) 2.610 6.629 ( -0.847 1.684 1.804) 2.610 6.688 ( -0.317 -0.491 -0.533) 0.791 6.688 ( -0.317 0.491 -0.533) 0.791 6.903 ( 0.331 -1.427 -1.343) 1.988 6.903 ( 0.331 1.427 -1.343) 1.988 7.044 ( 0.001 -1.294 -0.069) 1.296 7.044 ( 0.001 1.294 -0.069) 1.296 ======================= Grid point 127 (70/116) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -3.019 -2.633 3.161) 5.102 0.919 ( -3.019 2.633 3.161) 5.102 1.166 ( 2.570 -7.781 0.634) 8.219 1.166 ( 2.570 7.781 0.634) 8.219 1.394 ( 3.071 -4.495 8.792) 10.341 1.394 ( 3.071 4.495 8.792) 10.341 1.667 ( 10.205 -10.034 14.164) 20.136 1.667 ( 10.205 10.034 14.164) 20.136 1.805 ( 5.504 -2.135 1.857) 6.189 1.805 ( 5.504 2.135 1.857) 6.189 2.071 ( 0.331 -4.433 -4.574) 6.378 2.071 ( 0.331 4.433 -4.574) 6.378 2.496 ( 1.157 -3.059 -1.849) 3.757 2.496 ( 1.157 3.059 -1.849) 3.757 2.621 ( -4.987 -5.260 -5.260) 8.956 2.621 ( -4.987 5.260 -5.260) 8.956 2.784 ( -2.864 -1.437 -4.142) 5.237 2.784 ( -2.864 1.437 -4.142) 5.237 2.953 ( -4.387 -6.833 -9.288) 12.337 2.953 ( -4.387 6.833 -9.288) 12.337 3.305 ( -3.336 -1.980 0.639) 3.932 3.305 ( -3.336 1.980 0.639) 3.932 3.589 ( -4.186 -2.127 -0.178) 4.699 3.589 ( -4.186 2.127 -0.178) 4.699 3.961 ( -1.080 -2.537 3.098) 4.147 3.961 ( -1.080 2.537 3.098) 4.147 4.283 ( -1.531 -2.191 -0.111) 2.676 4.283 ( -1.531 2.191 -0.111) 2.676 5.140 ( -0.209 -1.147 0.560) 1.293 5.140 ( -0.209 1.147 0.560) 1.293 5.255 ( -2.964 -2.357 0.569) 3.829 5.255 ( -2.964 2.357 0.569) 3.829 5.389 ( 2.049 -1.388 0.549) 2.535 5.389 ( 2.049 1.388 0.549) 2.535 5.515 ( 1.937 -0.991 2.168) 3.072 5.515 ( 1.937 0.991 2.168) 3.072 5.685 ( 2.741 -2.504 -3.154) 4.871 5.685 ( 2.741 2.504 -3.154) 4.871 5.934 ( 1.865 -1.805 -3.286) 4.188 5.934 ( 1.865 1.805 -3.286) 4.188 6.622 ( -0.871 -1.771 1.836) 2.696 6.622 ( -0.871 1.771 1.836) 2.696 6.674 ( -0.614 -0.494 -0.666) 1.032 6.674 ( -0.614 0.494 -0.666) 1.032 6.905 ( 0.642 -1.497 -1.273) 2.067 6.905 ( 0.642 1.497 -1.273) 2.067 7.042 ( -0.156 -1.309 -0.098) 1.322 7.042 ( -0.156 1.309 -0.098) 1.322 ======================= Grid point 129 (71/116) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -2.588 -3.115 3.463) 5.329 0.881 ( -2.588 3.115 3.463) 5.329 1.175 ( -2.150 -6.004 2.897) 7.005 1.175 ( -2.150 6.004 2.897) 7.005 1.471 ( 0.470 -2.509 5.969) 6.492 1.471 ( 0.470 2.509 5.969) 6.492 1.889 ( 2.395 -3.225 -2.132) 4.548 1.889 ( 2.395 3.225 -2.132) 4.548 1.939 ( 4.853 -4.361 6.578) 9.265 1.939 ( 4.853 4.361 6.578) 9.265 2.067 ( 2.288 -8.229 0.429) 8.552 2.067 ( 2.288 8.229 0.429) 8.552 2.388 ( -5.517 -5.483 -9.564) 12.327 2.388 ( -5.517 5.483 -9.564) 12.327 2.530 ( -1.182 -2.791 1.127) 3.234 2.530 ( -1.182 2.791 1.127) 3.234 2.777 ( 0.837 -1.695 -3.060) 3.596 2.777 ( 0.837 1.695 -3.060) 3.596 2.862 ( -0.089 -1.623 -1.953) 2.541 2.862 ( -0.089 1.623 -1.953) 2.541 3.268 ( -0.080 -0.401 1.273) 1.337 3.268 ( -0.080 0.401 1.273) 1.337 3.519 ( -1.270 -1.838 -1.921) 2.946 3.519 ( -1.270 1.838 -1.921) 2.946 3.975 ( 0.817 -2.717 2.321) 3.666 3.975 ( 0.817 2.717 2.321) 3.666 4.251 ( -1.259 -2.255 -1.075) 2.798 4.251 ( -1.259 2.255 -1.075) 2.798 5.132 ( -0.844 -1.039 0.315) 1.375 5.132 ( -0.844 1.039 0.315) 1.375 5.214 ( -0.779 -2.063 -0.789) 2.343 5.214 ( -0.779 2.063 -0.789) 2.343 5.433 ( 1.726 -1.458 0.832) 2.408 5.433 ( 1.726 1.458 0.832) 2.408 5.547 ( 0.032 -1.041 1.677) 1.974 5.547 ( 0.032 1.041 1.677) 1.974 5.727 ( 2.289 -1.945 -1.539) 3.375 5.727 ( 2.289 1.945 -1.539) 3.375 5.927 ( -1.043 -1.747 -1.497) 2.526 5.927 ( -1.043 1.747 -1.497) 2.526 6.617 ( -0.469 -1.725 1.687) 2.458 6.617 ( -0.469 1.725 1.687) 2.458 6.659 ( -0.501 -0.285 -0.592) 0.826 6.659 ( -0.501 0.285 -0.592) 0.826 6.913 ( 0.798 -1.443 -1.144) 2.007 6.913 ( 0.798 1.443 -1.144) 2.007 7.038 ( -0.185 -1.256 -0.004) 1.269 7.038 ( -0.185 1.256 -0.004) 1.269 ======================= Grid point 131 (72/116) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -3.763 -4.874 1.644) 6.373 0.836 ( -3.763 4.874 1.644) 6.373 1.139 ( -3.630 -5.774 6.119) 9.163 1.139 ( -3.630 5.774 6.119) 9.163 1.472 ( -3.158 -2.882 3.267) 5.380 1.472 ( -3.158 2.882 3.267) 5.380 1.768 ( -7.674 -8.648 -11.474) 16.289 1.768 ( -7.674 8.648 -11.474) 16.289 1.945 ( -2.545 -4.550 -6.416) 8.267 1.945 ( -2.545 4.550 -6.416) 8.267 2.143 ( 1.536 -3.715 3.806) 5.535 2.143 ( 1.536 3.715 3.806) 5.535 2.311 ( -0.481 -0.712 -4.053) 4.143 2.311 ( -0.481 0.712 -4.053) 4.143 2.562 ( 3.034 -2.616 6.493) 7.629 2.562 ( 3.034 2.616 6.493) 7.629 2.767 ( 0.745 -2.140 -0.766) 2.392 2.767 ( 0.745 2.140 -0.766) 2.392 2.941 ( 5.827 -5.920 5.670) 10.058 2.941 ( 5.827 5.920 5.670) 10.058 3.318 ( 3.730 -1.069 0.782) 3.958 3.318 ( 3.730 1.069 0.782) 3.958 3.532 ( 3.662 -1.859 -3.153) 5.178 3.532 ( 3.662 1.859 -3.153) 5.178 4.010 ( 1.310 -2.337 1.348) 2.999 4.010 ( 1.310 2.337 1.348) 2.999 4.224 ( -0.224 -2.615 -2.212) 3.433 4.224 ( -0.224 2.615 -2.212) 3.433 5.114 ( -0.774 -0.874 -0.017) 1.167 5.114 ( -0.774 0.874 -0.017) 1.167 5.209 ( 0.573 -1.486 -1.340) 2.081 5.209 ( 0.573 1.486 -1.340) 2.081 5.459 ( 0.210 -0.866 0.640) 1.097 5.459 ( 0.210 0.866 0.640) 1.097 5.547 ( -0.207 -1.900 0.516) 1.980 5.547 ( -0.207 1.900 0.516) 1.980 5.742 ( -0.902 -1.461 0.544) 1.801 5.742 ( -0.902 1.461 0.544) 1.801 5.887 ( -2.287 -1.941 0.680) 3.076 5.887 ( -2.287 1.941 0.680) 3.076 6.622 ( -0.083 -1.536 1.541) 2.177 6.622 ( -0.083 1.536 1.541) 2.177 6.650 ( 0.008 -0.050 -0.406) 0.409 6.650 ( 0.008 0.050 -0.406) 0.409 6.922 ( 0.591 -1.389 -1.056) 1.842 6.922 ( 0.591 1.389 -1.056) 1.842 7.035 ( -0.107 -1.089 0.129) 1.102 7.035 ( -0.107 1.089 0.129) 1.102 ======================= Grid point 147 (73/116) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 2.543 0.000 10.092) 10.408 0.816 ( -0.273 0.000 11.867) 11.870 1.160 ( -3.727 0.000 4.198) 5.613 1.320 ( 1.385 0.000 -1.407) 1.974 1.388 ( -0.739 0.000 3.972) 4.040 1.450 ( 2.480 0.000 -3.065) 3.943 1.777 ( -0.227 0.000 -1.818) 1.832 1.821 ( -5.031 0.000 -1.720) 5.317 1.877 ( 1.507 0.000 3.284) 3.613 1.948 ( 5.334 0.000 7.485) 9.191 1.995 ( 0.171 0.000 -0.904) 0.920 2.221 ( 3.082 0.000 -1.708) 3.524 2.271 ( -3.582 0.000 -1.109) 3.750 2.370 ( -9.746 0.000 -9.715) 13.762 2.522 ( -5.412 0.000 0.179) 5.415 2.616 ( -4.702 0.000 -1.566) 4.956 2.626 ( 0.524 0.000 -1.858) 1.930 2.714 ( 2.090 0.000 -6.366) 6.700 2.788 ( 1.248 0.000 0.593) 1.381 2.886 ( 0.261 0.000 -3.524) 3.534 3.390 ( 3.166 0.000 4.080) 5.164 3.478 ( 3.237 0.000 0.105) 3.238 3.600 ( 0.828 0.000 0.236) 0.861 3.649 ( 5.873 0.000 -1.968) 6.194 4.084 ( 3.562 0.000 1.711) 3.951 4.097 ( 3.316 0.000 1.803) 3.775 4.287 ( 1.271 0.000 1.335) 1.843 4.310 ( 2.735 0.000 -0.292) 2.751 5.054 ( 0.532 0.000 0.498) 0.728 5.098 ( -1.499 0.000 -1.344) 2.013 5.207 ( 3.675 0.000 -0.316) 3.688 5.211 ( -3.317 0.000 -0.325) 3.333 5.409 ( -1.561 0.000 0.237) 1.579 5.419 ( 4.219 0.000 -1.301) 4.415 5.608 ( 3.517 0.000 1.289) 3.746 5.614 ( -2.491 0.000 1.064) 2.709 5.714 ( -2.762 0.000 2.335) 3.617 5.752 ( -3.394 0.000 2.862) 4.440 5.841 ( -2.349 0.000 -1.120) 2.602 5.876 ( -0.913 0.000 -0.092) 0.918 6.600 ( 0.035 0.000 0.801) 0.802 6.639 ( -0.159 0.000 -1.190) 1.200 6.657 ( -0.876 0.000 -0.257) 0.913 6.686 ( 1.295 0.000 -1.794) 2.212 6.908 ( 0.443 0.000 1.469) 1.534 6.936 ( -0.294 0.000 0.127) 0.321 7.005 ( -0.196 0.000 1.077) 1.095 7.063 ( 0.156 0.000 -1.490) 1.498 ======================= Grid point 148 (74/116) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -1.455 0.000 10.152) 10.255 0.920 ( 2.994 0.000 5.945) 6.656 1.100 ( -4.446 0.000 5.051) 6.729 1.300 ( -1.437 0.000 -5.131) 5.328 1.408 ( 0.930 0.000 -0.434) 1.026 1.474 ( 1.871 0.000 -1.002) 2.123 1.697 ( -5.321 0.000 -0.355) 5.333 1.759 ( -1.778 0.000 -0.108) 1.781 1.935 ( 2.876 0.000 2.417) 3.757 2.009 ( -1.021 0.000 -1.966) 2.216 2.056 ( -1.972 0.000 5.533) 5.874 2.093 ( -6.106 0.000 -7.319) 9.531 2.186 ( -2.206 0.000 3.305) 3.974 2.327 ( 4.547 0.000 0.497) 4.574 2.480 ( -0.522 0.000 2.395) 2.452 2.530 ( -2.174 0.000 0.534) 2.238 2.628 ( 0.871 0.000 0.229) 0.901 2.704 ( 0.440 0.000 -6.004) 6.020 2.842 ( 2.732 0.000 2.020) 3.398 2.889 ( 1.339 0.000 -2.708) 3.021 3.468 ( 3.197 0.000 1.171) 3.404 3.498 ( -1.096 0.000 -2.700) 2.914 3.624 ( 1.822 0.000 -2.310) 2.942 3.743 ( 4.440 0.000 -3.010) 5.364 4.148 ( 0.875 0.000 -0.503) 1.009 4.167 ( 4.371 0.000 -2.477) 5.024 4.286 ( -1.892 0.000 0.382) 1.931 4.339 ( 1.096 0.000 -3.559) 3.724 5.079 ( 1.084 0.000 -1.445) 1.807 5.081 ( -0.804 0.000 0.777) 1.118 5.143 ( -0.370 0.000 -0.031) 0.371 5.273 ( 2.511 0.000 -0.046) 2.511 5.385 ( -0.557 0.000 -0.153) 0.577 5.505 ( 4.710 0.000 -3.954) 6.150 5.560 ( -2.949 0.000 0.309) 2.965 5.668 ( -3.549 0.000 4.428) 5.675 5.673 ( -1.812 0.000 2.351) 2.968 5.693 ( -0.541 0.000 2.244) 2.308 5.779 ( -2.817 0.000 -0.121) 2.819 5.828 ( -3.460 0.000 0.793) 3.550 6.604 ( -0.314 0.000 1.159) 1.200 6.636 ( 0.556 0.000 -1.070) 1.205 6.645 ( -0.024 0.000 -0.211) 0.213 6.701 ( 1.094 0.000 -1.621) 1.956 6.918 ( -0.246 0.000 1.344) 1.367 6.929 ( -0.300 0.000 -0.113) 0.321 7.005 ( -0.423 0.000 1.161) 1.236 7.059 ( 0.364 0.000 -1.435) 1.480 ======================= Grid point 149 (75/116) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.294 0.000 10.377) 10.381 0.977 ( 0.032 0.000 1.951) 1.951 1.044 ( -2.984 0.000 1.484) 3.333 1.229 ( -1.470 0.000 -6.531) 6.694 1.369 ( -2.918 0.000 -6.341) 6.980 1.514 ( 1.762 0.000 -3.448) 3.873 1.643 ( -0.252 0.000 1.047) 1.077 1.695 ( -3.564 0.000 3.385) 4.916 1.848 ( -5.242 0.000 -8.149) 9.689 1.914 ( -7.793 0.000 1.788) 7.995 2.058 ( 4.420 0.000 4.003) 5.963 2.118 ( 4.222 0.000 -1.575) 4.506 2.247 ( 2.364 0.000 9.691) 9.975 2.425 ( 3.954 0.000 3.033) 4.983 2.442 ( -2.054 0.000 -0.510) 2.116 2.592 ( 4.476 0.000 4.474) 6.329 2.654 ( 0.106 0.000 -4.633) 4.634 2.701 ( 3.504 0.000 1.301) 3.738 2.892 ( 0.020 0.000 -1.937) 1.937 2.904 ( 1.681 0.000 2.766) 3.236 3.403 ( -5.689 0.000 -4.226) 7.087 3.513 ( 0.368 0.000 -1.798) 1.835 3.653 ( 2.887 0.000 -2.649) 3.918 3.785 ( 0.894 0.000 -2.279) 2.448 4.122 ( -2.951 0.000 -0.601) 3.012 4.207 ( 1.150 0.000 -4.926) 5.059 4.224 ( -3.431 0.000 -1.138) 3.615 4.312 ( -1.265 0.000 -5.622) 5.762 5.030 ( -1.828 0.000 0.120) 1.832 5.133 ( 4.395 0.000 -0.809) 4.469 5.206 ( 3.768 0.000 0.907) 3.876 5.291 ( -0.170 0.000 -2.117) 2.124 5.394 ( 1.638 0.000 -0.182) 1.648 5.473 ( -5.175 0.000 1.314) 5.339 5.563 ( 1.916 0.000 -3.242) 3.766 5.585 ( -5.982 0.000 3.484) 6.923 5.625 ( -3.113 0.000 3.799) 4.911 5.691 ( -1.939 0.000 -0.161) 1.945 5.778 ( 2.574 0.000 -0.908) 2.730 5.785 ( 0.126 0.000 -0.365) 0.386 6.600 ( -0.724 0.000 1.551) 1.711 6.646 ( 0.909 0.000 -1.033) 1.376 6.656 ( 0.946 0.000 0.190) 0.965 6.709 ( 0.469 0.000 -1.167) 1.258 6.913 ( -1.043 0.000 1.472) 1.804 6.925 ( 0.043 0.000 -0.328) 0.330 7.001 ( -0.598 0.000 1.257) 1.392 7.061 ( 0.602 0.000 -1.628) 1.736 ======================= Grid point 150 (76/116) ======================= q-point: (-0.57 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -4.285 0.000 1.317) 4.483 0.963 ( 1.122 0.000 6.240) 6.340 0.979 ( -3.998 0.000 1.025) 4.127 1.185 ( 0.831 0.000 -6.842) 6.892 1.288 ( 0.212 0.000 -5.522) 5.527 1.455 ( -2.748 0.000 -6.830) 7.362 1.643 ( -0.766 0.000 -2.383) 2.503 1.736 ( -2.096 0.000 -5.145) 5.555 1.742 ( 4.300 0.000 4.999) 6.594 1.790 ( -5.435 0.000 7.218) 9.035 2.145 ( 1.412 0.000 1.680) 2.194 2.185 ( 3.471 0.000 -2.916) 4.533 2.393 ( 5.212 0.000 6.200) 8.099 2.428 ( 2.836 0.000 2.366) 3.693 2.526 ( 4.172 0.000 3.567) 5.488 2.617 ( 0.516 0.000 -7.038) 7.057 2.708 ( 3.655 0.000 4.348) 5.680 2.808 ( 4.080 0.000 2.929) 5.022 2.870 ( -0.860 0.000 -1.860) 2.049 2.919 ( -1.867 0.000 0.545) 1.945 3.265 ( -4.544 0.000 -2.151) 5.028 3.451 ( -4.404 0.000 -3.444) 5.591 3.702 ( 1.722 0.000 0.129) 1.727 3.747 ( -3.859 0.000 -0.404) 3.880 4.040 ( -4.563 0.000 1.384) 4.768 4.155 ( -2.251 0.000 -1.756) 2.855 4.166 ( -1.661 0.000 -5.013) 5.281 4.225 ( -4.344 0.000 -3.819) 5.784 5.035 ( 1.950 0.000 0.250) 1.966 5.172 ( -1.619 0.000 -2.778) 3.216 5.279 ( 2.862 0.000 1.498) 3.230 5.311 ( 4.935 0.000 -1.280) 5.098 5.363 ( -6.030 0.000 3.076) 6.769 5.419 ( -1.469 0.000 -0.125) 1.475 5.506 ( -1.439 0.000 1.452) 2.044 5.537 ( -2.962 0.000 0.437) 2.994 5.627 ( 1.998 0.000 0.882) 2.184 5.665 ( 0.342 0.000 -1.089) 1.142 5.816 ( 3.314 0.000 -4.412) 5.517 5.825 ( 2.844 0.000 -2.841) 4.020 6.596 ( -0.577 0.000 1.867) 1.954 6.658 ( 0.755 0.000 -1.069) 1.308 6.678 ( 0.931 0.000 0.407) 1.016 6.708 ( -0.036 0.000 -0.819) 0.820 6.896 ( -1.443 0.000 1.839) 2.338 6.927 ( 0.281 0.000 -0.366) 0.461 6.996 ( -0.548 0.000 1.275) 1.388 7.064 ( 0.625 0.000 -1.747) 1.855 ======================= Grid point 151 (77/116) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -6.867 0.000 4.664) 8.302 0.855 ( -7.312 0.000 3.622) 8.160 1.046 ( 3.798 0.000 1.498) 4.082 1.181 ( 2.244 0.000 -5.339) 5.791 1.326 ( 4.542 0.000 -2.448) 5.159 1.381 ( -0.698 0.000 -5.854) 5.895 1.590 ( -2.891 0.000 2.487) 3.813 1.699 ( 1.530 0.000 -5.374) 5.587 1.777 ( -0.423 0.000 4.612) 4.632 1.875 ( 5.646 0.000 3.846) 6.831 2.137 ( -2.027 0.000 -1.031) 2.274 2.226 ( 2.329 0.000 -3.342) 4.073 2.433 ( 1.156 0.000 -0.184) 1.171 2.600 ( 3.691 0.000 -8.859) 9.597 2.631 ( 7.437 0.000 6.771) 10.057 2.633 ( 2.360 0.000 2.496) 3.435 2.768 ( 1.923 0.000 1.045) 2.189 2.786 ( -5.302 0.000 -5.795) 7.854 2.856 ( 0.144 0.000 -0.295) 0.328 2.899 ( 0.564 0.000 0.618) 0.837 3.237 ( 0.630 0.000 4.568) 4.611 3.320 ( -6.184 0.000 -2.411) 6.637 3.639 ( -6.342 0.000 1.387) 6.491 3.703 ( -2.477 0.000 2.966) 3.864 3.978 ( -2.709 0.000 3.534) 4.453 4.086 ( -4.082 0.000 -3.183) 5.177 4.123 ( -0.042 0.000 -0.378) 0.381 4.144 ( -1.095 0.000 0.013) 1.096 5.091 ( 2.777 0.000 0.813) 2.894 5.107 ( -1.742 0.000 -3.146) 3.596 5.257 ( -4.842 0.000 2.401) 5.405 5.332 ( -4.899 0.000 -1.383) 5.090 5.348 ( 2.807 0.000 2.794) 3.961 5.410 ( 1.354 0.000 -0.854) 1.601 5.516 ( 0.054 0.000 0.831) 0.833 5.517 ( 2.353 0.000 2.334) 3.314 5.681 ( 2.958 0.000 -0.339) 2.978 5.702 ( 3.743 0.000 -2.104) 4.294 5.847 ( 2.584 0.000 -6.500) 6.995 5.861 ( 2.634 0.000 -4.244) 4.994 6.596 ( -0.505 0.000 1.817) 1.886 6.664 ( 0.475 0.000 -1.228) 1.317 6.693 ( 0.313 0.000 0.301) 0.434 6.698 ( -0.455 0.000 -0.828) 0.945 6.879 ( -1.180 0.000 2.112) 2.420 6.931 ( 0.281 0.000 -0.223) 0.359 6.995 ( -0.321 0.000 1.228) 1.270 7.066 ( 0.588 0.000 -1.715) 1.813 ======================= Grid point 152 (78/116) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -5.778 0.000 9.399) 11.033 0.758 ( -5.402 0.000 9.931) 11.305 1.135 ( 4.252 0.000 -0.744) 4.316 1.215 ( 2.948 0.000 -1.709) 3.408 1.363 ( 2.081 0.000 -5.344) 5.735 1.390 ( 1.232 0.000 0.930) 1.544 1.603 ( 2.601 0.000 5.189) 5.804 1.728 ( 3.682 0.000 -4.563) 5.863 1.800 ( 0.450 0.000 3.284) 3.315 1.995 ( 4.131 0.000 1.100) 4.275 2.066 ( -3.625 0.000 -2.554) 4.434 2.227 ( -0.420 0.000 -4.794) 4.813 2.421 ( -3.059 0.000 1.311) 3.328 2.594 ( -2.488 0.000 -7.068) 7.493 2.639 ( 5.216 0.000 -9.141) 10.525 2.687 ( 0.491 0.000 -4.273) 4.301 2.729 ( -0.313 0.000 0.372) 0.486 2.827 ( -2.366 0.000 -3.484) 4.212 2.870 ( -2.882 0.000 -2.483) 3.804 2.897 ( 4.323 0.000 6.021) 7.412 3.218 ( -1.946 0.000 1.798) 2.650 3.305 ( 2.383 0.000 6.344) 6.776 3.542 ( -3.201 0.000 1.883) 3.713 3.650 ( -3.936 0.000 3.358) 5.174 3.970 ( -0.496 0.000 5.082) 5.106 4.011 ( -2.135 0.000 1.179) 2.439 4.154 ( 2.736 0.000 1.118) 2.955 4.166 ( 2.272 0.000 1.732) 2.857 5.084 ( 1.107 0.000 -2.382) 2.626 5.127 ( -0.725 0.000 0.531) 0.899 5.193 ( -2.626 0.000 1.430) 2.990 5.245 ( -1.713 0.000 -1.072) 2.021 5.385 ( -1.509 0.000 -0.762) 1.690 5.422 ( 2.133 0.000 3.829) 4.384 5.511 ( -0.241 0.000 -0.633) 0.677 5.607 ( 2.569 0.000 3.557) 4.387 5.737 ( 2.686 0.000 -1.328) 2.996 5.763 ( 2.502 0.000 -0.792) 2.624 5.851 ( 1.522 0.000 -5.555) 5.760 5.882 ( 1.784 0.000 -4.467) 4.810 6.596 ( -0.408 0.000 1.388) 1.447 6.665 ( 0.415 0.000 -1.440) 1.499 6.681 ( -0.668 0.000 -1.127) 1.310 6.693 ( -0.474 0.000 0.086) 0.482 6.876 ( -0.324 0.000 2.018) 2.044 6.935 ( 0.195 0.000 0.016) 0.195 6.997 ( -0.132 0.000 1.155) 1.162 7.068 ( 0.521 0.000 -1.691) 1.770 ======================= Grid point 153 (79/116) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -1.279 0.000 11.797) 11.866 0.755 ( -1.631 0.000 13.254) 13.354 1.185 ( 0.244 0.000 1.019) 1.048 1.274 ( 2.892 0.000 0.502) 2.935 1.393 ( -1.528 0.000 3.570) 3.883 1.400 ( 3.979 0.000 -4.491) 6.001 1.741 ( 6.583 0.000 7.344) 9.863 1.775 ( 2.444 0.000 -3.247) 4.064 1.834 ( 1.272 0.000 2.496) 2.802 1.966 ( -4.461 0.000 -3.252) 5.521 2.025 ( -1.049 0.000 -2.203) 2.440 2.187 ( 0.859 0.000 -4.078) 4.167 2.345 ( -4.423 0.000 1.661) 4.725 2.551 ( -0.111 0.000 -6.944) 6.945 2.643 ( -3.758 0.000 -2.721) 4.639 2.657 ( -4.201 0.000 -4.091) 5.864 2.694 ( 3.867 0.000 -8.017) 8.901 2.723 ( -4.392 0.000 -4.523) 6.305 2.797 ( -2.314 0.000 0.089) 2.316 2.922 ( -1.589 0.000 -1.702) 2.329 3.284 ( 4.081 0.000 6.214) 7.435 3.394 ( 3.397 0.000 3.935) 5.198 3.551 ( 3.352 0.000 0.262) 3.362 3.602 ( -1.929 0.000 2.198) 2.924 4.016 ( 2.414 0.000 4.014) 4.684 4.017 ( 1.228 0.000 3.401) 3.616 4.229 ( 3.232 0.000 1.774) 3.687 4.239 ( 3.463 0.000 1.931) 3.966 5.077 ( -2.450 0.000 -0.911) 2.614 5.114 ( 1.894 0.000 -1.259) 2.274 5.161 ( -0.405 0.000 -0.243) 0.472 5.244 ( -0.146 0.000 0.993) 1.004 5.371 ( 0.770 0.000 -0.230) 0.804 5.441 ( -1.656 0.000 1.366) 2.147 5.535 ( 2.862 0.000 0.547) 2.914 5.640 ( -0.836 0.000 2.626) 2.756 5.750 ( -1.001 0.000 -0.400) 1.079 5.783 ( -0.709 0.000 1.334) 1.511 5.867 ( 1.949 0.000 -2.057) 2.834 5.878 ( -0.051 0.000 -3.190) 3.190 6.596 ( -0.164 0.000 0.919) 0.934 6.655 ( -0.616 0.000 -1.302) 1.441 6.673 ( 0.821 0.000 -1.659) 1.851 6.677 ( -0.927 0.000 -0.123) 0.936 6.888 ( 0.441 0.000 1.724) 1.779 6.938 ( -0.008 0.000 0.184) 0.184 7.001 ( -0.086 0.000 1.084) 1.087 7.067 ( 0.327 0.000 -1.666) 1.698 ======================= Grid point 154 (80/116) ======================= q-point: ( 0.00 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.817 -4.319 13.303) 14.011 0.909 ( 0.483 3.372 6.030) 6.926 1.136 ( -4.225 -1.483 5.865) 7.379 1.307 ( 0.495 -2.092 0.238) 2.163 1.378 ( -0.472 -1.419 -0.409) 1.550 1.408 ( 1.756 -3.442 -1.820) 4.271 1.605 ( 0.902 -9.020 -0.935) 9.113 1.713 ( -7.079 -10.844 -6.915) 14.680 1.856 ( -1.261 -2.064 3.372) 4.149 1.942 ( -0.988 -2.014 -2.909) 3.673 2.108 ( 2.123 5.024 2.168) 5.870 2.178 ( -7.686 -6.079 -2.977) 10.241 2.217 ( 2.691 1.054 0.607) 2.953 2.316 ( -2.840 -2.959 -3.308) 5.269 2.561 ( -2.072 3.079 2.029) 4.230 2.628 ( 2.435 5.846 3.910) 7.442 2.707 ( 1.556 -0.631 -5.348) 5.605 2.850 ( 4.423 6.749 2.060) 8.328 2.865 ( -4.090 14.140 -5.149) 15.594 3.001 ( -1.678 9.354 -4.456) 10.497 3.372 ( 3.402 -1.874 4.706) 6.102 3.460 ( 3.347 -1.641 0.565) 3.770 3.580 ( 1.322 -1.886 0.422) 2.342 3.638 ( 5.653 -1.186 -2.300) 6.217 4.054 ( 2.615 -1.881 1.813) 3.697 4.101 ( 3.914 -0.716 0.626) 4.028 4.261 ( 1.018 -2.207 1.209) 2.715 4.292 ( 2.081 -2.004 -1.148) 3.109 5.068 ( 0.335 1.243 0.280) 1.317 5.098 ( -1.107 0.065 -1.112) 1.570 5.191 ( 1.190 -0.869 0.072) 1.476 5.217 ( -0.974 -0.092 -0.727) 1.219 5.410 ( 0.471 0.647 0.329) 0.865 5.437 ( 1.694 1.273 -0.967) 2.329 5.584 ( 0.885 -1.615 1.360) 2.289 5.609 ( -0.481 -1.151 -0.034) 1.247 5.717 ( -2.629 0.198 2.551) 3.668 5.752 ( -3.186 -0.044 1.966) 3.744 5.843 ( -1.668 0.206 0.071) 1.682 5.880 ( -1.349 0.343 -0.232) 1.411 6.607 ( 0.044 0.684 0.872) 1.109 6.638 ( 0.005 0.051 -0.698) 0.700 6.660 ( -0.426 0.171 -0.341) 0.572 6.686 ( 0.801 -0.013 -1.212) 1.453 6.897 ( 0.266 -0.727 1.275) 1.491 6.938 ( -0.079 -0.094 -0.389) 0.408 7.011 ( -0.184 0.582 0.944) 1.124 7.058 ( 0.171 -0.405 -1.172) 1.252 ======================= Grid point 155 (81/116) ======================= q-point: ( 0.14 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 2.185 -3.012 10.941) 11.556 0.944 ( 0.717 0.876 3.742) 3.910 1.073 ( -5.200 -1.784 6.441) 8.468 1.297 ( -2.323 -0.764 -2.766) 3.692 1.346 ( -0.543 -5.884 -1.804) 6.179 1.434 ( 2.078 -4.244 -1.168) 4.867 1.525 ( -5.891 -11.897 -2.749) 13.558 1.685 ( 3.663 -9.518 1.611) 10.325 1.865 ( 0.243 -5.096 6.438) 8.215 1.897 ( -3.541 -3.849 -0.287) 5.238 2.046 ( -2.504 1.256 -0.953) 2.959 2.104 ( -2.046 -0.782 -0.645) 2.284 2.277 ( 0.671 -0.286 -2.405) 2.514 2.310 ( 4.323 1.707 4.426) 6.418 2.512 ( -2.793 3.511 1.660) 4.784 2.686 ( -2.097 8.461 -3.992) 9.588 2.691 ( -2.834 4.214 -5.118) 7.210 2.759 ( 1.933 10.420 1.963) 10.778 2.942 ( 0.276 8.653 -2.341) 8.968 2.984 ( 4.387 8.555 0.844) 9.651 3.448 ( 1.597 -2.141 1.682) 3.156 3.489 ( 0.202 -0.923 -2.660) 2.823 3.609 ( 1.889 -1.421 -2.591) 3.508 3.724 ( 4.163 -2.020 -3.491) 5.796 4.102 ( 1.067 -3.060 -0.328) 3.257 4.183 ( 4.863 -0.044 -3.414) 5.942 4.250 ( -2.384 -2.966 0.613) 3.855 4.324 ( 1.848 -1.488 -3.060) 3.872 5.084 ( 0.149 0.628 -0.076) 0.650 5.093 ( 0.709 1.027 -0.388) 1.307 5.149 ( -0.378 0.480 -0.102) 0.620 5.259 ( 2.334 -1.285 -0.035) 2.665 5.398 ( -0.489 1.232 -0.120) 1.331 5.504 ( 4.199 0.011 -3.066) 5.199 5.547 ( -2.751 -1.162 0.303) 3.001 5.625 ( -1.669 -2.623 2.326) 3.883 5.670 ( -4.526 -0.591 3.895) 6.000 5.704 ( -0.719 -0.050 1.456) 1.624 5.793 ( -2.811 1.282 0.623) 3.152 5.834 ( -2.985 0.495 0.890) 3.154 6.612 ( -0.234 0.724 1.216) 1.434 6.642 ( 0.639 0.562 -0.944) 1.271 6.650 ( 0.015 0.511 -0.180) 0.542 6.699 ( 0.966 -0.225 -1.230) 1.580 6.903 ( -0.350 -0.954 1.246) 1.607 6.931 ( -0.241 -0.250 -0.609) 0.701 7.011 ( -0.340 0.610 1.025) 1.240 7.057 ( 0.360 -0.241 -1.173) 1.250 ======================= Grid point 156 (82/116) ======================= q-point: ( 0.29 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.201 0.005 8.946) 8.948 0.988 ( 1.268 0.304 1.358) 1.882 1.015 ( -2.430 -2.290 1.719) 3.756 1.206 ( -3.711 -1.357 -2.806) 4.846 1.318 ( -0.942 -4.669 -4.966) 6.880 1.431 ( -0.150 -11.597 1.034) 11.644 1.510 ( 3.088 -0.850 -0.769) 3.294 1.727 ( -1.687 -0.649 5.294) 5.594 1.827 ( -2.801 -1.110 3.469) 4.595 1.959 ( 4.537 -9.731 6.225) 12.410 2.035 ( -3.762 3.019 -2.762) 5.558 2.070 ( 4.003 0.283 0.973) 4.129 2.303 ( 2.387 0.795 0.394) 2.546 2.425 ( 3.423 1.028 3.921) 5.305 2.486 ( 0.793 0.953 -0.040) 1.240 2.526 ( -5.212 5.629 -3.821) 8.570 2.652 ( -0.525 -0.193 -5.220) 5.250 2.838 ( 1.889 7.991 2.237) 8.511 2.911 ( -0.907 6.256 -1.982) 6.625 3.075 ( 2.317 10.110 1.362) 10.461 3.386 ( -5.116 -1.649 -3.344) 6.330 3.490 ( -0.696 -2.434 -2.771) 3.753 3.637 ( 2.839 -1.354 -2.737) 4.169 3.761 ( 1.071 -2.528 -2.969) 4.044 4.095 ( -0.999 -2.238 -1.258) 2.755 4.174 ( -4.877 -2.037 0.327) 5.295 4.240 ( 2.446 0.588 -4.926) 5.531 4.317 ( -0.712 0.281 -4.131) 4.201 5.047 ( -1.462 1.659 0.296) 2.231 5.146 ( 4.131 1.230 -0.761) 4.377 5.206 ( 3.891 -0.006 0.724) 3.958 5.282 ( 0.286 -0.844 -1.596) 1.828 5.404 ( 1.185 0.887 -0.114) 1.485 5.469 ( -5.078 -0.279 1.501) 5.302 5.554 ( 1.227 -1.060 -2.052) 2.615 5.575 ( -5.065 -1.986 2.750) 6.096 5.588 ( -3.117 -1.124 2.868) 4.382 5.704 ( -1.389 -0.447 -0.029) 1.460 5.765 ( 0.639 0.466 -0.256) 0.832 5.807 ( 0.951 0.949 -0.549) 1.451 6.610 ( -0.669 0.984 1.638) 2.024 6.646 ( 0.507 0.074 -0.725) 0.888 6.666 ( 1.134 0.815 -0.231) 1.415 6.707 ( 0.394 -0.208 -0.965) 1.063 6.897 ( -0.948 -1.078 1.352) 1.972 6.924 ( -0.026 -0.462 -0.776) 0.904 7.009 ( -0.463 0.735 1.084) 1.389 7.059 ( 0.514 -0.206 -1.370) 1.478 ======================= Grid point 157 (83/116) ======================= q-point: (-0.57 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 1.310 -0.390 3.099) 3.387 0.972 ( -3.154 0.445 1.007) 3.341 0.987 ( -2.821 2.343 3.622) 5.154 1.172 ( 2.314 0.773 -0.570) 2.505 1.285 ( 1.283 -1.583 -5.517) 5.882 1.477 ( 1.894 -1.881 2.617) 3.739 1.533 ( 1.611 -0.044 -4.018) 4.329 1.734 ( -0.943 -0.119 5.702) 5.780 1.804 ( -2.403 1.125 4.268) 5.026 1.928 ( -3.241 9.525 -4.684) 11.098 2.077 ( 4.126 -8.048 2.004) 9.264 2.149 ( 1.421 0.210 -0.446) 1.504 2.385 ( 4.941 -3.169 1.701) 6.111 2.472 ( 2.368 -4.331 2.393) 5.485 2.494 ( 3.704 5.352 3.145) 7.228 2.580 ( 4.092 -5.470 1.622) 7.021 2.626 ( 1.496 0.479 -3.078) 3.456 2.824 ( -2.148 0.533 -2.448) 3.300 2.890 ( -1.865 5.219 -1.304) 5.694 3.043 ( -5.087 4.059 -4.846) 8.114 3.291 ( -2.024 2.569 0.131) 3.273 3.417 ( -3.970 -2.962 -3.046) 5.815 3.675 ( 0.389 -1.849 0.256) 1.907 3.732 ( -2.311 -1.873 -1.578) 3.368 4.050 ( -4.079 0.967 2.294) 4.779 4.089 ( -2.060 -2.730 -0.749) 3.501 4.225 ( -1.374 1.557 -3.352) 3.943 4.250 ( -3.130 2.796 -3.921) 5.744 5.055 ( 1.756 1.895 0.438) 2.620 5.176 ( -1.592 0.334 -2.170) 2.712 5.288 ( 2.234 0.773 1.200) 2.651 5.312 ( 5.203 0.194 -0.762) 5.262 5.364 ( -5.335 0.046 2.774) 6.014 5.417 ( -2.238 -0.234 0.164) 2.256 5.496 ( -1.433 -0.912 1.646) 2.365 5.535 ( -1.293 -0.620 0.721) 1.605 5.598 ( 1.639 -1.371 0.187) 2.144 5.676 ( 0.257 -0.108 -2.018) 2.037 5.796 ( 2.533 -0.447 -2.439) 3.544 5.845 ( 3.214 0.644 -3.630) 4.891 6.606 ( -0.680 0.950 1.884) 2.217 6.654 ( 0.521 -0.295 -0.476) 0.765 6.686 ( 0.846 0.606 -0.125) 1.049 6.705 ( -0.144 -0.295 -0.795) 0.860 6.882 ( -1.244 -1.043 1.582) 2.267 6.923 ( 0.311 -0.560 -0.753) 0.988 7.006 ( -0.450 0.843 1.074) 1.437 7.061 ( 0.504 -0.273 -1.493) 1.599 ======================= Grid point 158 (84/116) ======================= q-point: (-0.43 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -5.944 2.167 4.064) 7.519 0.908 ( -5.687 5.341 3.379) 8.502 1.034 ( 4.034 0.162 1.962) 4.489 1.239 ( 3.458 4.497 -2.270) 6.110 1.319 ( 3.683 -0.680 -1.462) 4.020 1.456 ( -0.460 6.576 -8.290) 10.591 1.623 ( 3.747 3.199 6.043) 7.797 1.666 ( -4.446 -0.772 0.496) 4.540 1.822 ( 1.831 1.992 1.485) 3.086 1.911 ( 2.459 4.086 0.201) 4.773 2.094 ( -2.194 -4.102 -1.854) 5.007 2.184 ( 3.708 -3.450 -2.543) 5.667 2.451 ( 0.742 1.543 -0.879) 1.925 2.558 ( 3.139 -3.925 -1.649) 5.289 2.629 ( 3.239 -2.827 0.994) 4.412 2.667 ( 5.428 1.090 3.981) 6.819 2.711 ( 4.309 -3.540 3.245) 6.452 2.769 ( -1.242 -0.982 -0.644) 1.709 2.788 ( -2.581 -3.586 -4.836) 6.551 2.887 ( -5.050 -1.363 -7.392) 9.055 3.280 ( -0.763 2.972 3.016) 4.303 3.323 ( -4.031 0.191 -0.130) 4.037 3.617 ( -5.732 -1.728 1.975) 6.304 3.675 ( -3.513 -2.251 1.346) 4.384 3.990 ( -2.956 1.116 4.126) 5.197 4.080 ( 0.723 -1.385 1.049) 1.882 4.140 ( -4.520 3.516 -1.572) 5.938 4.199 ( -0.378 3.430 -1.537) 3.777 5.104 ( 1.998 1.114 0.813) 2.427 5.119 ( -1.485 1.197 -2.437) 3.095 5.249 ( -4.670 -0.448 2.536) 5.333 5.321 ( -4.223 -0.932 -1.034) 4.447 5.363 ( 2.260 1.315 2.762) 3.803 5.424 ( 2.236 0.584 -0.804) 2.447 5.517 ( -0.926 0.592 0.527) 1.219 5.523 ( 2.959 0.316 1.766) 3.461 5.647 ( 3.109 -1.947 -0.063) 3.669 5.705 ( 3.749 -1.192 -3.773) 5.451 5.828 ( 2.175 -0.230 -3.773) 4.362 5.881 ( 2.730 0.639 -5.268) 5.968 6.604 ( -0.623 0.764 1.897) 2.138 6.659 ( 0.283 -0.428 -0.541) 0.746 6.689 ( -0.543 -0.572 -0.533) 0.952 6.700 ( 0.211 0.303 -0.250) 0.446 6.869 ( -0.873 -0.781 1.663) 2.034 6.927 ( 0.417 -0.513 -0.558) 0.865 7.004 ( -0.306 0.833 1.044) 1.370 7.062 ( 0.458 -0.370 -1.457) 1.572 ======================= Grid point 159 (85/116) ======================= q-point: (-0.29 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -7.470 3.421 4.835) 9.533 0.843 ( -3.540 5.771 8.968) 11.236 1.124 ( 3.331 0.004 1.341) 3.591 1.288 ( 3.375 4.052 -3.980) 6.607 1.342 ( -0.374 0.539 -4.896) 4.940 1.419 ( -0.186 3.095 -0.642) 3.166 1.595 ( -0.125 -1.820 -1.331) 2.258 1.768 ( 5.122 5.418 4.676) 8.801 1.864 ( 1.780 4.281 1.631) 4.915 1.991 ( 2.519 -0.632 -0.093) 2.599 2.029 ( -1.118 -2.292 -2.271) 3.414 2.231 ( 1.715 -0.687 -3.174) 3.672 2.387 ( -5.075 -3.321 -2.653) 6.620 2.500 ( -5.446 -6.092 -5.663) 9.942 2.633 ( 3.643 -0.560 -7.272) 8.153 2.698 ( -1.294 -2.378 -6.649) 7.179 2.712 ( -3.415 -4.963 -6.009) 8.509 2.759 ( 1.022 0.058 2.927) 3.100 2.860 ( 4.644 0.016 5.588) 7.266 2.950 ( 7.002 2.475 6.327) 9.756 3.246 ( -2.534 1.592 1.354) 3.285 3.306 ( 0.644 0.688 4.702) 4.796 3.527 ( -2.974 -1.371 1.848) 3.761 3.607 ( -3.895 -3.306 3.148) 6.001 3.977 ( -0.846 0.868 4.965) 5.111 4.049 ( -3.261 2.429 -0.188) 4.070 4.129 ( 2.687 -0.097 2.091) 3.406 4.211 ( 1.529 2.352 0.926) 2.954 5.096 ( 0.701 1.164 -1.857) 2.300 5.125 ( -1.136 -0.082 0.565) 1.271 5.191 ( -2.407 -0.137 1.526) 2.853 5.249 ( -1.300 0.090 -0.827) 1.544 5.410 ( -1.355 2.136 -1.277) 2.834 5.431 ( 1.952 0.782 3.161) 3.797 5.502 ( -0.240 -0.552 -0.313) 0.678 5.609 ( 2.134 0.049 3.144) 3.800 5.711 ( 3.251 -1.680 -0.973) 3.787 5.761 ( 3.201 -1.402 -3.016) 4.616 5.840 ( 1.051 0.282 -3.279) 3.455 5.897 ( 1.676 0.612 -4.638) 4.970 6.602 ( -0.486 0.647 1.524) 1.726 6.661 ( 0.254 -0.450 -0.700) 0.870 6.670 ( -0.838 -0.706 -0.800) 1.357 6.698 ( -0.332 0.232 -0.065) 0.410 6.868 ( -0.071 -0.486 1.486) 1.565 6.933 ( 0.408 -0.346 -0.341) 0.635 7.005 ( -0.152 0.740 1.008) 1.259 7.063 ( 0.379 -0.471 -1.389) 1.515 ======================= Grid point 160 (86/116) ======================= q-point: (-0.14 0.17 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -4.582 -0.298 10.314) 11.290 0.859 ( -0.258 5.260 8.840) 10.290 1.165 ( -0.670 -1.234 2.931) 3.250 1.303 ( 0.330 1.814 -2.589) 3.178 1.346 ( 3.654 -2.975 -4.516) 6.526 1.406 ( -1.507 0.255 2.857) 3.241 1.603 ( 1.059 -5.004 -2.655) 5.763 1.844 ( 0.754 0.279 -1.160) 1.411 1.884 ( -4.015 -2.860 0.298) 4.938 1.986 ( 2.166 0.226 -1.479) 2.633 2.027 ( -0.822 5.495 0.122) 5.557 2.195 ( 0.354 0.695 -4.349) 4.418 2.338 ( -4.941 -1.954 -0.296) 5.322 2.376 ( -0.859 -9.692 -2.977) 10.176 2.568 ( -2.877 -3.372 -4.481) 6.303 2.646 ( -1.362 -0.035 -1.680) 2.162 2.694 ( 2.491 0.054 -6.172) 6.656 2.786 ( 0.772 2.613 2.548) 3.730 2.925 ( 0.015 10.323 -0.961) 10.368 3.046 ( 0.022 7.389 0.118) 7.390 3.268 ( 3.092 -1.223 5.084) 6.075 3.374 ( 3.255 -1.754 4.011) 5.456 3.539 ( 3.079 -1.434 0.577) 3.445 3.571 ( -0.842 -2.479 2.167) 3.399 4.007 ( 0.542 0.197 3.421) 3.469 4.027 ( 1.574 -0.039 2.067) 2.599 4.203 ( 3.158 -1.221 1.927) 3.895 4.255 ( 1.859 0.097 0.893) 2.064 5.085 ( -1.749 0.725 -0.358) 1.927 5.117 ( 1.005 0.230 -1.084) 1.496 5.158 ( -0.334 -0.158 -0.345) 0.506 5.244 ( -0.381 -0.185 0.369) 0.562 5.387 ( 0.112 1.710 -0.222) 1.728 5.450 ( -1.191 0.775 1.094) 1.794 5.528 ( 2.701 -0.626 0.383) 2.799 5.631 ( -1.003 -0.983 2.006) 2.449 5.742 ( -0.189 -0.482 0.055) 0.520 5.786 ( -0.251 -0.343 -0.365) 0.560 5.847 ( 1.074 -0.376 -1.055) 1.552 5.897 ( 0.312 0.710 -2.597) 2.711 6.603 ( -0.170 0.631 1.038) 1.226 6.650 ( -0.657 -0.409 -0.805) 1.117 6.663 ( 0.316 -0.461 -0.655) 0.861 6.688 ( -0.386 0.352 -0.474) 0.705 6.881 ( 0.443 -0.470 1.319) 1.468 6.938 ( 0.242 -0.161 -0.258) 0.389 7.009 ( -0.101 0.644 0.951) 1.153 7.061 ( 0.237 -0.517 -1.315) 1.432 ======================= Grid point 161 (87/116) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -2.248 2.140 10.091) 10.557 0.910 ( -1.299 -3.787 1.057) 4.141 1.148 ( -3.783 2.971 7.848) 9.205 1.228 ( -2.216 -3.997 -2.533) 5.225 1.317 ( 0.244 -4.092 -0.117) 4.101 1.352 ( -3.503 -3.557 -6.065) 7.855 1.474 ( -4.559 -8.054 -5.373) 10.701 1.491 ( -5.064 -4.978 -5.914) 9.241 1.813 ( -1.455 -1.451 1.905) 2.802 1.873 ( -1.586 -3.971 -1.523) 4.539 2.120 ( -3.105 0.081 -0.149) 3.110 2.150 ( -2.329 0.333 -1.440) 2.759 2.242 ( 1.830 -0.013 -0.953) 2.063 2.268 ( 0.878 -1.190 -1.313) 1.978 2.610 ( -1.877 1.978 1.829) 3.284 2.674 ( 0.374 -1.350 -2.407) 2.785 2.834 ( 6.247 11.640 8.567) 15.745 3.016 ( 6.108 8.631 4.355) 11.435 3.112 ( -0.034 7.962 0.053) 7.962 3.196 ( -0.572 9.649 -4.849) 10.814 3.308 ( 2.895 -4.342 4.942) 7.187 3.428 ( 3.313 -1.016 -0.005) 3.466 3.527 ( 2.253 -3.200 -0.350) 3.929 3.597 ( 4.603 -3.000 -3.415) 6.469 4.025 ( 0.972 -0.758 0.584) 1.364 4.068 ( 2.969 -2.198 -0.632) 3.748 4.214 ( 0.501 -2.040 0.368) 2.132 4.237 ( 2.014 -3.018 -1.881) 4.087 5.095 ( 0.117 1.208 0.245) 1.238 5.102 ( -0.207 0.406 -0.439) 0.633 5.179 ( 0.696 -0.270 -0.221) 0.778 5.205 ( -0.986 -0.962 -0.842) 1.615 5.436 ( 0.005 1.808 0.500) 1.876 5.463 ( 1.006 1.126 -0.388) 1.559 5.553 ( 0.202 -1.335 0.687) 1.515 5.574 ( -0.179 -1.988 -0.935) 2.204 5.719 ( -2.784 0.124 2.323) 3.628 5.744 ( -2.731 -0.795 0.955) 3.000 5.855 ( -1.307 0.992 1.260) 2.069 5.884 ( -1.493 -0.053 0.099) 1.497 6.626 ( -0.011 1.190 0.939) 1.516 6.643 ( 0.418 0.459 -0.170) 0.644 6.661 ( 0.210 -0.111 0.013) 0.237 6.680 ( 0.115 -0.751 0.145) 0.774 6.890 ( 0.189 0.241 0.294) 0.424 6.927 ( 0.016 -0.940 -0.984) 1.361 7.025 ( -0.089 0.713 0.570) 0.917 7.049 ( 0.150 -0.500 -0.517) 0.735 ======================= Grid point 162 (88/116) ======================= q-point: ( 0.14 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 3.651 -1.636 12.153) 12.794 0.902 ( 0.527 -5.138 1.397) 5.350 1.060 ( -7.676 -0.419 4.597) 8.957 1.204 ( -0.237 -5.096 2.140) 5.532 1.258 ( -1.939 -7.113 -1.563) 7.536 1.293 ( -3.337 -3.001 -0.764) 4.552 1.382 ( 0.283 -3.463 0.825) 3.571 1.488 ( 3.803 -8.058 0.433) 8.921 1.806 ( -1.100 -1.339 4.469) 4.793 1.836 ( -2.451 -2.312 2.693) 4.313 2.076 ( -1.131 0.642 -0.759) 1.505 2.082 ( -2.715 -0.258 -2.417) 3.644 2.263 ( 2.251 0.271 -2.164) 3.134 2.325 ( 3.634 -0.733 0.397) 3.729 2.582 ( -1.901 2.938 1.946) 4.005 2.660 ( -0.431 -1.525 -2.366) 2.847 2.978 ( 2.721 12.533 6.098) 14.201 2.996 ( -6.169 13.063 -7.286) 16.179 3.130 ( -1.476 8.724 -5.291) 10.309 3.179 ( 4.754 9.863 1.133) 11.008 3.376 ( 0.524 -5.084 3.177) 6.018 3.453 ( -0.013 -3.048 -3.237) 4.446 3.572 ( 2.674 -2.086 -3.318) 4.744 3.654 ( 3.428 -4.981 -4.591) 7.591 4.049 ( 0.992 -1.689 -0.198) 1.969 4.130 ( 2.724 -4.486 -0.704) 5.295 4.221 ( 1.347 0.172 -2.121) 2.519 4.284 ( 3.067 -2.351 -2.560) 4.636 5.102 ( 0.041 1.108 0.260) 1.139 5.117 ( 1.743 1.097 -0.049) 2.060 5.159 ( -0.166 0.667 -0.394) 0.792 5.226 ( 1.985 -1.976 -0.092) 2.802 5.430 ( -0.399 1.845 0.037) 1.888 5.500 ( 1.819 -0.946 -0.718) 2.172 5.527 ( -1.490 -0.182 -0.470) 1.573 5.577 ( -1.337 -2.079 1.323) 2.803 5.659 ( -4.575 -0.296 3.473) 5.751 5.688 ( -2.479 -1.261 1.150) 3.009 5.821 ( -2.379 1.296 1.294) 3.002 5.843 ( -2.507 0.262 0.904) 2.678 6.631 ( -0.050 1.151 1.062) 1.567 6.654 ( 0.322 0.442 -0.789) 0.960 6.663 ( 0.529 0.682 0.210) 0.888 6.690 ( 0.737 -0.685 -0.173) 1.021 6.890 ( -0.387 -0.171 0.446) 0.615 6.918 ( -0.294 -1.003 -1.140) 1.547 7.026 ( -0.117 0.766 0.576) 0.965 7.050 ( 0.285 -0.411 -0.603) 0.783 ======================= Grid point 163 (89/116) ======================= q-point: ( 0.29 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 2.577 0.611 7.521) 7.974 0.959 ( 3.462 -3.030 2.188) 5.095 0.977 ( -1.282 -0.506 2.328) 2.705 1.192 ( -1.280 -6.816 0.242) 6.939 1.228 ( -1.985 2.812 3.265) 4.744 1.294 ( 3.642 -1.041 6.510) 7.532 1.459 ( 4.716 -4.444 3.793) 7.508 1.625 ( 6.744 -9.455 7.388) 13.765 1.791 ( -2.719 -1.390 4.685) 5.593 1.833 ( -0.022 -2.887 5.905) 6.573 2.024 ( -1.657 -0.841 -2.291) 2.949 2.063 ( 0.650 -0.924 -1.827) 2.149 2.313 ( 3.577 1.220 -1.708) 4.148 2.408 ( 4.246 -2.123 -0.428) 4.766 2.557 ( -1.259 3.838 0.506) 4.071 2.629 ( -1.316 0.075 -2.091) 2.471 2.780 ( -7.891 14.288 -10.220) 19.258 2.994 ( -3.876 8.182 -2.540) 9.403 3.076 ( -1.511 7.141 -1.784) 7.514 3.211 ( -2.996 1.664 -3.536) 4.924 3.343 ( -1.968 -2.670 -2.278) 4.024 3.427 ( -1.189 -2.708 -1.563) 3.346 3.606 ( 3.271 -1.440 -3.659) 5.115 3.690 ( 1.842 -3.992 -3.034) 5.341 4.062 ( 0.317 -0.455 -0.027) 0.555 4.130 ( -3.130 -2.468 3.130) 5.069 4.253 ( 2.912 0.933 -5.228) 6.057 4.311 ( 0.953 -1.001 -2.894) 3.207 5.091 ( -0.524 2.476 0.692) 2.623 5.166 ( 2.322 -0.031 0.072) 2.324 5.209 ( 4.557 0.776 -0.136) 4.624 5.262 ( 1.985 -1.050 -0.891) 2.415 5.426 ( -0.118 1.243 0.004) 1.249 5.466 ( -4.181 -0.093 1.375) 4.402 5.512 ( -2.470 -2.228 1.608) 3.694 5.534 ( -2.909 -1.776 2.311) 4.117 5.592 ( -2.016 0.951 0.316) 2.252 5.670 ( -0.390 -2.361 -0.088) 2.394 5.790 ( -0.514 1.416 -0.214) 1.521 5.818 ( 0.387 0.135 -0.421) 0.587 6.635 ( -0.393 1.279 1.414) 1.947 6.650 ( 0.046 0.313 -0.738) 0.803 6.681 ( 0.892 0.611 -0.053) 1.083 6.701 ( 0.277 -0.451 -0.191) 0.563 6.880 ( -0.797 -0.392 0.474) 1.006 6.907 ( -0.029 -1.145 -1.283) 1.720 7.026 ( -0.184 0.873 0.536) 1.041 7.052 ( 0.312 -0.415 -0.785) 0.941 ======================= Grid point 164 (90/116) ======================= q-point: (-0.57 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 1.809 1.315 1.898) 2.933 0.978 ( -1.351 0.892 0.527) 1.703 1.022 ( 0.574 1.016 4.096) 4.259 1.210 ( 3.257 -4.624 -1.342) 5.813 1.267 ( 3.368 7.346 5.834) 9.967 1.467 ( 8.307 3.297 10.720) 13.957 1.557 ( 1.872 -0.810 2.300) 3.074 1.747 ( -0.302 1.436 5.595) 5.784 1.808 ( 1.624 -2.022 3.424) 4.296 1.918 ( 5.167 -7.656 6.826) 11.485 1.992 ( -0.608 -1.992 -0.198) 2.093 2.096 ( 3.537 -5.978 1.788) 7.172 2.343 ( -0.916 3.378 -7.429) 8.212 2.470 ( 2.339 -0.842 -1.375) 2.841 2.519 ( -0.432 2.435 -3.017) 3.901 2.610 ( 1.427 3.565 1.515) 4.129 2.656 ( 0.766 4.100 -4.884) 6.422 2.871 ( -5.183 3.741 -3.978) 7.529 2.946 ( -9.152 -1.225 -7.289) 11.763 3.047 ( -7.463 -2.927 -8.728) 11.851 3.320 ( -0.232 0.381 0.150) 0.471 3.388 ( -2.286 0.269 -0.044) 2.302 3.643 ( 0.516 -1.075 -0.694) 1.380 3.683 ( -1.272 -2.432 -1.430) 3.095 4.057 ( -1.619 -0.376 2.058) 2.646 4.068 ( -3.864 0.456 3.959) 5.551 4.255 ( -0.327 1.699 -2.834) 3.320 4.292 ( -0.876 0.970 -3.081) 3.347 5.103 ( 1.130 2.716 0.897) 3.075 5.178 ( -1.070 -0.400 -0.463) 1.232 5.306 ( 1.665 0.955 0.465) 1.975 5.319 ( 5.322 0.421 -0.588) 5.371 5.366 ( -4.364 0.274 2.456) 5.015 5.407 ( -4.195 -0.981 1.423) 4.537 5.473 ( 0.079 -0.837 1.102) 1.386 5.512 ( 0.806 -1.515 0.292) 1.740 5.592 ( 1.243 0.680 -0.380) 1.467 5.655 ( -0.285 -1.643 -1.695) 2.378 5.805 ( 2.200 1.005 -2.061) 3.177 5.845 ( 2.827 -0.519 -3.275) 4.358 6.631 ( -0.716 1.313 1.455) 2.086 6.650 ( 0.151 -0.044 -0.339) 0.374 6.690 ( -0.210 -0.213 -0.034) 0.301 6.701 ( -0.016 -0.092 0.134) 0.164 6.867 ( -0.641 -0.197 0.357) 0.760 6.904 ( 0.447 -1.269 -1.281) 1.858 7.025 ( -0.246 0.945 0.496) 1.095 7.053 ( 0.242 -0.482 -0.888) 1.039 ======================= Grid point 165 (91/116) ======================= q-point: (-0.43 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -3.773 2.130 2.399) 4.953 0.977 ( -1.790 0.663 1.131) 2.218 1.077 ( 2.884 4.027 3.282) 5.941 1.258 ( 2.898 -3.327 -4.821) 6.535 1.391 ( 3.778 8.084 5.600) 10.535 1.559 ( -0.390 1.852 -0.641) 1.998 1.704 ( 0.078 6.460 1.560) 6.646 1.756 ( 5.794 8.436 7.774) 12.852 1.843 ( 1.760 0.686 2.220) 2.915 1.990 ( 0.477 -2.200 -1.248) 2.574 2.002 ( -0.186 -1.296 -0.580) 1.432 2.135 ( 0.075 0.561 -6.523) 6.548 2.363 ( 6.422 -12.280 7.255) 15.642 2.489 ( 0.261 1.497 -2.007) 2.518 2.551 ( 3.830 -4.619 -2.103) 6.358 2.591 ( -6.895 -6.656 -8.825) 13.028 2.724 ( -3.739 1.721 -2.093) 4.617 2.748 ( 7.095 1.569 3.929) 8.260 2.779 ( -1.404 0.303 -1.723) 2.243 2.859 ( -4.574 -1.724 -8.830) 10.093 3.318 ( -0.951 0.690 2.903) 3.131 3.331 ( -3.301 0.604 0.577) 3.405 3.591 ( -5.246 -0.545 1.802) 5.574 3.630 ( -3.821 -2.043 0.539) 4.366 4.015 ( -2.770 1.214 4.739) 5.622 4.055 ( -0.666 -1.019 2.983) 3.221 4.218 ( -2.159 3.587 -0.913) 4.285 4.257 ( -0.734 1.962 -1.989) 2.888 5.130 ( 0.345 1.427 0.982) 1.766 5.147 ( -0.804 1.211 -0.760) 1.640 5.248 ( -4.664 0.496 2.198) 5.180 5.299 ( -4.174 -1.279 -0.037) 4.366 5.389 ( 2.206 1.038 1.818) 3.041 5.419 ( 2.248 -0.843 0.170) 2.407 5.527 ( 4.780 0.384 -0.115) 4.797 5.541 ( 0.069 1.001 0.346) 1.062 5.622 ( 2.118 -0.408 0.105) 2.160 5.661 ( 3.021 -2.447 -4.419) 5.886 5.839 ( 2.378 1.008 -3.037) 3.987 5.880 ( 2.628 -0.655 -4.719) 5.441 6.625 ( -0.698 1.201 1.665) 2.168 6.650 ( -0.008 -0.397 -0.194) 0.442 6.677 ( -0.848 -0.483 -0.160) 0.989 6.700 ( -0.458 -0.521 0.830) 1.082 6.862 ( 0.003 0.309 0.112) 0.329 6.909 ( 0.714 -1.237 -1.110) 1.809 7.023 ( -0.227 0.934 0.527) 1.096 7.053 ( 0.180 -0.573 -0.831) 1.025 ======================= Grid point 166 (92/116) ======================= q-point: (-0.29 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -5.364 4.556 2.456) 7.453 0.938 ( -2.443 2.529 3.419) 4.904 1.145 ( 1.668 2.106 2.524) 3.687 1.271 ( 1.278 -2.660 -4.760) 5.601 1.446 ( -0.021 5.652 0.990) 5.738 1.544 ( -4.389 9.509 -9.314) 14.016 1.566 ( -2.345 -0.250 -0.821) 2.497 1.867 ( -0.506 1.480 -0.583) 1.670 1.907 ( -1.108 -0.158 -1.218) 1.654 1.947 ( 0.171 -2.552 -4.538) 5.209 2.068 ( 4.962 5.615 4.988) 9.001 2.172 ( 4.660 -3.951 -0.986) 6.188 2.303 ( -6.984 -4.940 -9.196) 12.560 2.388 ( -5.270 -5.550 -2.377) 8.014 2.561 ( 0.621 -2.957 -2.429) 3.877 2.636 ( 3.505 -3.120 1.061) 4.811 2.678 ( 1.159 0.939 -3.438) 3.747 2.783 ( 3.526 -1.438 4.479) 5.879 2.845 ( 3.325 1.511 4.170) 5.544 2.973 ( 9.296 -1.006 7.928) 12.259 3.270 ( -2.551 1.503 0.252) 2.971 3.325 ( -0.041 0.244 3.957) 3.965 3.501 ( -3.395 -0.529 1.531) 3.762 3.551 ( -3.771 -2.115 2.178) 4.841 4.003 ( -1.017 1.516 4.066) 4.457 4.058 ( -1.126 -0.946 1.904) 2.406 4.174 ( -1.079 3.450 -0.116) 3.616 4.243 ( -0.303 0.566 -0.172) 0.665 5.123 ( -0.660 1.130 0.467) 1.389 5.132 ( -0.989 0.956 -0.624) 1.510 5.189 ( -2.410 0.148 1.254) 2.721 5.239 ( -1.117 -1.140 -0.294) 1.623 5.441 ( 1.391 0.549 -0.140) 1.502 5.446 ( 1.034 0.379 1.051) 1.523 5.515 ( -1.480 2.296 -0.263) 2.744 5.603 ( 0.756 -0.870 2.040) 2.343 5.684 ( 4.265 -0.826 -1.545) 4.611 5.718 ( 4.075 -2.285 -3.650) 5.928 5.860 ( 1.076 1.254 -2.407) 2.919 5.898 ( 1.581 -0.442 -3.812) 4.150 6.621 ( -0.544 1.178 1.560) 2.029 6.649 ( 0.021 -0.588 -0.065) 0.591 6.659 ( -0.759 -0.329 -0.113) 0.835 6.693 ( -0.753 -0.909 1.053) 1.582 6.868 ( 0.556 0.658 -0.038) 0.862 6.919 ( 0.761 -1.089 -0.925) 1.619 7.022 ( -0.140 0.853 0.587) 1.045 7.051 ( 0.118 -0.634 -0.694) 0.948 ======================= Grid point 167 (93/116) ======================= q-point: (-0.14 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -6.682 5.886 4.460) 9.959 0.924 ( -1.172 0.382 2.944) 3.191 1.164 ( -1.379 1.496 3.950) 4.443 1.272 ( 1.387 -2.507 -5.093) 5.844 1.366 ( -5.948 2.327 -3.421) 7.245 1.424 ( -1.311 2.980 -3.233) 4.588 1.548 ( -1.153 -1.590 -3.727) 4.213 1.730 ( -9.454 -9.777 -10.702) 17.306 1.842 ( -2.000 -1.486 -0.078) 2.493 1.919 ( -1.178 -4.423 -4.201) 6.213 2.146 ( 2.880 2.850 -0.098) 4.053 2.198 ( -0.712 -2.210 -3.075) 3.853 2.224 ( -2.310 -0.630 -1.570) 2.863 2.302 ( -2.049 -3.093 -0.704) 3.777 2.602 ( 3.252 4.606 4.419) 7.164 2.669 ( 0.881 2.317 1.749) 3.034 2.692 ( 2.106 1.356 -3.000) 3.908 2.885 ( 3.747 5.948 5.335) 8.825 3.010 ( 6.297 -1.989 9.150) 11.284 3.173 ( 5.394 2.273 4.883) 7.623 3.241 ( 0.266 0.661 -0.424) 0.829 3.362 ( 1.906 0.912 2.238) 3.077 3.490 ( 1.206 -2.357 0.507) 2.695 3.532 ( 1.548 -1.722 0.255) 2.330 4.021 ( 0.766 0.625 2.885) 3.050 4.028 ( -1.250 0.688 -0.422) 1.488 4.184 ( 1.310 -0.579 0.997) 1.745 4.235 ( -0.328 -1.934 -0.452) 2.013 5.101 ( -0.975 0.774 0.336) 1.289 5.120 ( -0.762 -0.031 -0.453) 0.887 5.164 ( 0.186 0.992 -0.589) 1.169 5.229 ( -0.556 -1.324 -0.117) 1.441 5.435 ( -0.395 2.635 -0.586) 2.728 5.465 ( -0.505 0.612 0.960) 1.246 5.519 ( 1.857 0.008 -0.058) 1.857 5.598 ( -1.268 -2.279 0.588) 2.674 5.736 ( 0.754 -0.084 -0.028) 0.759 5.764 ( 1.317 -1.422 -1.399) 2.390 5.861 ( 0.001 1.306 -0.083) 1.309 5.901 ( 0.199 -0.289 -1.681) 1.717 6.621 ( -0.167 1.202 1.123) 1.653 6.645 ( -0.432 0.039 0.090) 0.443 6.654 ( 0.325 -0.521 -0.059) 0.617 6.684 ( -0.587 -0.867 0.710) 1.265 6.881 ( 0.597 0.601 0.065) 0.850 6.927 ( 0.515 -0.968 -0.887) 1.411 7.023 ( -0.083 0.756 0.588) 0.961 7.050 ( 0.081 -0.609 -0.573) 0.840 ======================= Grid point 168 (94/116) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -3.817 -7.354 3.653) 9.055 0.785 ( -3.817 7.354 3.653) 9.055 1.221 ( -2.004 -2.552 -6.395) 7.172 1.221 ( -2.004 2.552 -6.395) 7.172 1.237 ( -6.358 -1.636 2.703) 7.100 1.237 ( -6.358 1.636 2.703) 7.100 1.431 ( -3.145 -1.756 -5.268) 6.382 1.431 ( -3.145 1.756 -5.268) 6.382 1.814 ( -1.103 -1.642 1.190) 2.308 1.814 ( -1.103 1.642 1.190) 2.308 2.139 ( -2.590 -1.219 -0.770) 2.965 2.139 ( -2.590 1.219 -0.770) 2.965 2.248 ( 1.920 -0.994 -1.995) 2.942 2.248 ( 1.920 0.994 -1.995) 2.942 2.644 ( -0.839 -1.516 0.174) 1.742 2.644 ( -0.839 1.516 0.174) 1.742 3.046 ( 5.872 -7.827 9.215) 13.441 3.046 ( 5.872 7.827 9.215) 13.441 3.211 ( 4.376 -5.504 3.913) 8.047 3.211 ( 4.376 5.504 3.913) 8.047 3.372 ( 1.285 -6.589 -2.250) 7.080 3.372 ( 1.285 6.589 -2.250) 7.080 3.522 ( 2.725 -3.681 -4.156) 6.184 3.522 ( 2.725 3.681 -4.156) 6.184 4.030 ( 0.499 -1.264 -0.737) 1.546 4.030 ( 0.499 1.264 -0.737) 1.546 4.196 ( 1.727 -0.568 -1.030) 2.089 4.196 ( 1.727 0.568 -1.030) 2.089 5.108 ( 0.284 -0.088 0.255) 0.392 5.108 ( 0.284 0.088 0.255) 0.392 5.185 ( -0.428 -0.865 -0.796) 1.251 5.185 ( -0.428 0.865 -0.796) 1.251 5.469 ( -0.125 -0.891 0.479) 1.020 5.469 ( -0.125 0.891 0.479) 1.020 5.543 ( 0.367 -0.708 -0.732) 1.083 5.543 ( 0.367 0.708 -0.732) 1.083 5.727 ( -2.752 -0.706 1.518) 3.221 5.727 ( -2.752 0.706 1.518) 3.221 5.875 ( -1.371 -0.827 0.845) 1.810 5.875 ( -1.371 0.827 0.845) 1.810 6.649 ( 0.309 -0.588 -0.063) 0.667 6.649 ( 0.309 0.588 -0.063) 0.667 6.660 ( 0.154 -0.725 1.141) 1.361 6.660 ( 0.154 0.725 1.141) 1.361 6.905 ( 0.092 -1.107 -0.766) 1.349 6.905 ( 0.092 1.107 -0.766) 1.349 7.038 ( 0.048 -0.588 0.075) 0.595 7.038 ( 0.048 0.588 0.075) 0.595 ======================= Grid point 170 (95/116) ======================= q-point: ( 0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 1.409 -4.326 7.862) 9.084 0.788 ( 1.409 4.326 7.862) 9.084 1.084 ( -4.259 -4.516 -0.524) 6.230 1.084 ( -4.259 4.516 -0.524) 6.230 1.242 ( 0.103 -2.890 4.579) 5.416 1.242 ( 0.103 2.890 4.579) 5.416 1.376 ( -0.056 -3.089 -0.926) 3.225 1.376 ( -0.056 3.089 -0.926) 3.225 1.803 ( -1.417 -0.907 3.453) 3.840 1.803 ( -1.417 0.907 3.453) 3.840 2.081 ( -2.176 -0.373 -1.788) 2.840 2.081 ( -2.176 0.373 -1.788) 2.840 2.292 ( 3.363 -2.113 -2.019) 4.455 2.292 ( 3.363 2.113 -2.019) 4.455 2.628 ( -1.014 -1.806 0.580) 2.151 2.628 ( -1.014 1.806 0.580) 2.151 3.157 ( 0.660 -2.870 1.360) 3.244 3.157 ( 0.660 2.870 1.360) 3.244 3.248 ( -1.995 -6.153 -0.408) 6.481 3.248 ( -1.995 6.153 -0.408) 6.481 3.359 ( -0.077 -6.701 -4.230) 7.925 3.359 ( -0.077 6.701 -4.230) 7.925 3.560 ( 3.732 -2.438 -3.969) 5.968 3.560 ( 3.732 2.438 -3.969) 5.968 4.054 ( 1.766 -2.376 0.220) 2.968 4.054 ( 1.766 2.376 0.220) 2.968 4.240 ( 3.259 -1.713 -2.659) 4.542 4.240 ( 3.259 1.713 -2.659) 4.542 5.122 ( 0.701 -0.630 0.331) 0.998 5.122 ( 0.701 0.630 0.331) 0.998 5.185 ( 1.299 -1.892 -0.374) 2.325 5.185 ( 1.299 1.892 -0.374) 2.325 5.468 ( -0.280 -1.870 0.137) 1.896 5.468 ( -0.280 1.870 0.137) 1.896 5.542 ( -0.651 -1.363 0.140) 1.517 5.542 ( -0.651 1.363 0.140) 1.517 5.665 ( -3.826 -0.871 2.241) 4.519 5.665 ( -3.826 0.871 2.241) 4.519 5.840 ( -2.322 -0.563 1.118) 2.637 5.840 ( -2.322 0.563 1.118) 2.637 6.652 ( 0.069 -0.741 0.078) 0.748 6.652 ( 0.069 0.741 0.078) 0.748 6.676 ( 0.740 -0.660 0.514) 1.117 6.676 ( 0.740 0.660 0.514) 1.117 6.898 ( -0.362 -0.826 -0.747) 1.171 6.898 ( -0.362 0.826 -0.747) 1.171 7.040 ( 0.114 -0.602 0.001) 0.613 7.040 ( 0.114 0.602 0.001) 0.613 ======================= Grid point 172 (96/116) ======================= q-point: ( 0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 4.924 -1.036 6.381) 8.127 0.911 ( 4.924 1.036 6.381) 8.127 1.043 ( -0.634 -6.603 2.897) 7.239 1.043 ( -0.634 6.603 2.897) 7.239 1.303 ( 2.663 -3.288 7.822) 8.893 1.303 ( 2.663 3.288 7.822) 8.893 1.437 ( 5.302 -6.768 5.578) 10.248 1.437 ( 5.302 6.768 5.578) 10.248 1.794 ( -1.713 -1.257 4.519) 4.993 1.794 ( -1.713 1.257 4.519) 4.993 2.035 ( -0.975 -1.463 -2.832) 3.334 2.035 ( -0.975 1.463 -2.832) 3.334 2.356 ( 3.949 -2.715 -2.256) 5.297 2.356 ( 3.949 2.715 -2.256) 5.297 2.612 ( -0.641 -1.713 0.249) 1.846 2.612 ( -0.641 1.713 0.249) 1.846 3.046 ( -7.263 -10.140 -9.928) 15.942 3.046 ( -7.263 10.140 -9.928) 15.942 3.152 ( -6.883 -6.721 -3.269) 10.160 3.152 ( -6.883 6.721 -3.269) 10.160 3.357 ( 1.253 -4.826 -1.360) 5.168 3.357 ( 1.253 4.826 -1.360) 5.168 3.619 ( 3.247 -2.806 -2.375) 4.905 3.619 ( 3.247 2.806 -2.375) 4.905 4.081 ( -0.304 -2.080 2.209) 3.049 4.081 ( -0.304 2.080 2.209) 3.049 4.281 ( 2.195 -1.760 -3.486) 4.480 4.281 ( 2.195 1.760 -3.486) 4.480 5.139 ( 0.665 -2.196 0.868) 2.453 5.139 ( 0.665 2.196 0.868) 2.453 5.237 ( 3.911 -1.521 -0.739) 4.261 5.237 ( 3.911 1.521 -0.739) 4.261 5.452 ( -1.775 -1.284 0.087) 2.193 5.452 ( -1.775 1.284 0.087) 2.193 5.502 ( -3.712 -1.117 3.017) 4.912 5.502 ( -3.712 1.117 3.017) 4.912 5.623 ( -0.804 -2.090 -0.126) 2.243 5.623 ( -0.804 2.090 -0.126) 2.243 5.812 ( -0.248 -0.723 -0.341) 0.837 5.812 ( -0.248 0.723 -0.341) 0.837 6.652 ( -0.095 -0.322 -0.007) 0.336 6.652 ( -0.095 0.322 -0.007) 0.336 6.691 ( 0.330 -0.478 0.537) 0.791 6.691 ( 0.330 0.478 0.537) 0.791 6.885 ( -0.328 -0.809 -0.880) 1.240 6.885 ( -0.328 0.809 -0.880) 1.240 7.042 ( 0.079 -0.657 -0.123) 0.673 7.042 ( 0.079 0.657 -0.123) 0.673 ======================= Grid point 174 (97/116) ======================= q-point: (-0.57 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.129 -0.811 0.856) 1.186 0.978 ( -0.129 0.811 0.856) 1.186 1.096 ( 3.527 -5.774 2.255) 7.131 1.096 ( 3.527 5.774 2.255) 7.131 1.434 ( 4.508 -7.610 8.956) 12.588 1.434 ( 4.508 7.610 8.956) 12.588 1.655 ( 10.394 -11.101 11.913) 19.318 1.655 ( 10.394 11.101 11.913) 19.318 1.794 ( -0.374 -3.020 4.885) 5.755 1.794 ( -0.374 3.020 4.885) 5.755 2.007 ( -0.127 -3.222 -3.257) 4.583 2.007 ( -0.127 3.222 -3.257) 4.583 2.414 ( 2.735 -3.261 -3.251) 5.356 2.414 ( 2.735 3.261 -3.251) 5.356 2.601 ( -0.791 -2.927 -2.713) 4.069 2.601 ( -0.791 2.927 -2.713) 4.069 2.823 ( -7.156 -9.567 -8.901) 14.899 2.823 ( -7.156 9.567 -8.901) 14.899 2.961 ( -7.956 -4.815 -6.796) 11.518 2.961 ( -7.956 4.815 -6.796) 11.518 3.361 ( -0.809 -2.851 0.046) 2.964 3.361 ( -0.809 2.851 0.046) 2.964 3.645 ( -0.151 -1.245 -0.828) 1.503 3.645 ( -0.151 1.245 -0.828) 1.503 4.064 ( -2.682 -0.669 3.788) 4.690 4.064 ( -2.682 0.669 3.788) 4.690 4.288 ( 0.233 -1.257 -2.534) 2.838 4.288 ( 0.233 1.257 -2.534) 2.838 5.153 ( 0.080 -2.041 0.923) 2.241 5.153 ( 0.080 2.041 0.923) 2.241 5.321 ( 3.560 -0.365 -0.577) 3.625 5.321 ( 3.560 0.365 -0.577) 3.625 5.380 ( -4.678 -1.233 2.594) 5.490 5.380 ( -4.678 1.233 2.594) 5.490 5.480 ( 1.123 -1.341 -0.103) 1.752 5.480 ( 1.123 1.341 -0.103) 1.752 5.619 ( 0.378 -1.817 -0.510) 1.924 5.619 ( 0.378 1.817 -0.510) 1.924 5.828 ( 2.311 -1.153 -2.733) 3.760 5.828 ( 2.311 1.153 -2.733) 3.760 6.649 ( -0.256 -0.347 -0.038) 0.433 6.649 ( -0.256 0.347 -0.038) 0.433 6.692 ( -0.580 -0.572 1.005) 1.294 6.692 ( -0.580 0.572 1.005) 1.294 6.878 ( 0.196 -1.126 -1.080) 1.572 6.878 ( 0.196 1.126 -1.080) 1.572 7.041 ( -0.017 -0.711 -0.193) 0.737 7.041 ( -0.017 0.711 -0.193) 0.737 ======================= Grid point 176 (98/116) ======================= q-point: (-0.43 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -1.675 -1.596 1.352) 2.680 0.961 ( -1.675 1.596 1.352) 2.680 1.170 ( 2.962 -4.907 -0.505) 5.753 1.170 ( 2.962 4.907 -0.505) 5.753 1.532 ( 0.680 -4.594 5.281) 7.033 1.532 ( 0.680 4.594 5.281) 7.033 1.819 ( 2.105 -3.051 -0.964) 3.831 1.819 ( 2.105 3.051 -0.964) 3.831 1.931 ( 4.053 -4.722 5.487) 8.296 1.931 ( 4.053 4.722 5.487) 8.296 2.027 ( 5.621 -10.406 6.745) 13.615 2.027 ( 5.621 10.406 6.745) 13.615 2.351 ( -5.664 -9.806 -12.310) 16.727 2.351 ( -5.664 9.806 -12.310) 16.727 2.535 ( -0.504 -1.845 -2.570) 3.203 2.535 ( -0.504 1.845 -2.570) 3.203 2.753 ( -1.463 -0.960 -0.631) 1.860 2.753 ( -1.463 0.960 -0.631) 1.860 2.813 ( 0.369 -2.620 -3.464) 4.359 2.813 ( 0.369 2.620 -3.464) 4.359 3.330 ( -2.318 -0.580 1.582) 2.866 3.330 ( -2.318 0.580 1.582) 2.866 3.598 ( -4.293 -1.124 1.049) 4.560 3.598 ( -4.293 1.124 1.049) 4.560 4.036 ( -1.957 -0.959 4.327) 4.845 4.036 ( -1.957 0.959 4.327) 4.845 4.267 ( -1.100 -1.048 -1.396) 2.063 4.267 ( -1.100 1.048 -1.396) 2.063 5.153 ( -0.476 -0.615 0.789) 1.108 5.153 ( -0.476 0.615 0.789) 1.108 5.270 ( -4.541 -1.496 1.036) 4.892 5.270 ( -4.541 1.496 1.036) 4.892 5.404 ( 2.234 -0.611 0.863) 2.471 5.404 ( 2.234 0.611 0.863) 2.471 5.541 ( 3.982 -0.845 -0.396) 4.089 5.541 ( 3.982 0.845 -0.396) 4.089 5.628 ( 1.370 -0.887 -1.886) 2.494 5.628 ( 1.370 0.887 -1.886) 2.494 5.861 ( 2.562 -1.099 -3.826) 4.734 5.861 ( 2.562 1.099 -3.826) 4.734 6.643 ( -0.297 -0.483 0.103) 0.576 6.643 ( -0.297 0.483 0.103) 0.576 6.681 ( -1.110 -0.984 1.452) 2.076 6.681 ( -1.110 0.984 1.452) 2.076 6.881 ( 0.704 -1.405 -1.122) 1.931 6.881 ( 0.704 1.405 -1.122) 1.931 7.040 ( -0.067 -0.743 -0.126) 0.757 7.040 ( -0.067 0.743 -0.126) 0.757 ======================= Grid point 178 (99/116) ======================= q-point: (-0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -2.626 -2.861 1.730) 4.251 0.928 ( -2.626 2.861 1.730) 4.251 1.205 ( 0.892 -3.572 -0.411) 3.704 1.205 ( 0.892 3.572 -0.411) 3.704 1.539 ( -1.290 -2.969 0.280) 3.249 1.539 ( -1.290 2.969 0.280) 3.249 1.763 ( -6.184 -10.134 -8.596) 14.657 1.763 ( -6.184 10.134 -8.596) 14.657 1.910 ( -2.544 -1.149 -5.293) 5.984 1.910 ( -2.544 1.149 -5.293) 5.984 2.144 ( 1.429 -2.207 -1.925) 3.259 2.144 ( 1.429 2.207 -1.925) 3.259 2.274 ( 1.028 -4.833 0.950) 5.032 2.274 ( 1.028 4.833 0.950) 5.032 2.569 ( 4.485 -2.774 4.496) 6.930 2.569 ( 4.485 2.774 4.496) 6.930 2.722 ( 1.183 -3.100 -1.001) 3.466 2.722 ( 1.183 3.100 -1.001) 3.466 2.916 ( 5.629 -4.041 5.735) 8.995 2.916 ( 5.629 4.041 5.735) 8.995 3.306 ( -0.601 -1.762 2.234) 2.908 3.306 ( -0.601 1.762 2.234) 2.908 3.515 ( -3.600 -1.539 1.553) 4.212 3.515 ( -3.600 1.539 1.553) 4.212 4.033 ( -0.782 -1.447 3.369) 3.749 4.033 ( -0.782 1.447 3.369) 3.749 4.230 ( -1.781 -1.851 -0.953) 2.739 4.230 ( -1.781 1.851 -0.953) 2.739 5.140 ( -1.347 -0.493 0.516) 1.525 5.140 ( -1.347 0.493 0.516) 1.525 5.208 ( -1.583 -1.671 0.171) 2.308 5.208 ( -1.583 1.671 0.171) 2.308 5.446 ( 1.585 -0.184 0.430) 1.653 5.446 ( 1.585 0.184 0.430) 1.653 5.569 ( -1.030 -2.466 0.444) 2.709 5.569 ( -1.030 2.466 0.444) 2.709 5.684 ( 4.716 -0.904 -2.659) 5.489 5.684 ( 4.716 0.904 -2.659) 5.489 5.883 ( 1.408 -1.006 -2.876) 3.356 5.883 ( 1.408 1.006 -2.876) 3.356 6.639 ( -0.114 -0.479 0.286) 0.570 6.639 ( -0.114 0.479 0.286) 0.570 6.667 ( -1.053 -1.257 1.563) 2.265 6.667 ( -1.053 1.257 1.563) 2.265 6.892 ( 0.881 -1.470 -1.014) 1.991 6.892 ( 0.881 1.470 -1.014) 1.991 7.038 ( -0.058 -0.721 0.008) 0.724 7.038 ( -0.058 0.721 0.008) 0.724 ======================= Grid point 180 (100/116) ======================= q-point: (-0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -4.519 -5.683 1.540) 7.422 0.865 ( -4.519 5.683 1.540) 7.422 1.216 ( 0.324 -3.111 0.745) 3.215 1.216 ( 0.324 3.111 0.745) 3.215 1.451 ( -7.691 -4.887 -5.850) 10.829 1.451 ( -7.691 4.887 -5.850) 10.829 1.551 ( -5.479 -5.906 -9.615) 12.544 1.551 ( -5.479 5.906 -9.615) 12.544 1.843 ( -1.552 -2.238 -2.519) 3.710 1.843 ( -1.552 2.238 -2.519) 3.710 2.169 ( 0.834 -0.860 -1.174) 1.677 2.169 ( 0.834 0.860 -1.174) 1.677 2.250 ( -1.327 -1.988 -1.807) 2.996 2.250 ( -1.327 1.988 -1.807) 2.996 2.655 ( 0.146 -1.641 0.904) 1.879 2.655 ( 0.146 1.641 0.904) 1.879 2.843 ( 7.837 -8.903 9.551) 15.228 2.843 ( 7.837 8.903 9.551) 15.228 3.070 ( 5.633 -7.541 7.318) 11.923 3.070 ( 5.633 7.541 7.318) 11.923 3.335 ( 2.184 -4.194 0.545) 4.760 3.335 ( 2.184 4.194 0.545) 4.760 3.492 ( 1.022 -2.015 -0.792) 2.394 3.492 ( 1.022 2.015 -0.792) 2.394 4.034 ( -0.486 -0.489 0.927) 1.156 4.034 ( -0.486 0.489 0.927) 1.156 4.193 ( -0.975 -1.642 -0.658) 2.020 4.193 ( -0.975 1.642 -0.658) 2.020 5.114 ( -0.996 -0.507 0.151) 1.128 5.114 ( -0.996 0.507 0.151) 1.128 5.195 ( -0.203 -1.844 -0.373) 1.893 5.195 ( -0.203 1.844 -0.373) 1.893 5.468 ( 0.295 -0.561 0.236) 0.677 5.468 ( 0.295 0.561 0.236) 0.677 5.546 ( -0.642 -2.595 -0.346) 2.696 5.546 ( -0.642 2.595 -0.346) 2.696 5.742 ( 1.369 -0.700 -0.711) 1.694 5.742 ( 1.369 0.700 -0.711) 1.694 5.887 ( 0.040 -1.095 -0.694) 1.297 5.887 ( 0.040 1.095 -0.694) 1.297 6.642 ( 0.232 -0.668 0.173) 0.728 6.642 ( 0.232 0.668 0.173) 0.728 6.658 ( -0.626 -1.349 1.459) 2.083 6.658 ( -0.626 1.349 1.459) 2.083 6.902 ( 0.633 -1.358 -0.878) 1.737 6.902 ( 0.633 1.358 -0.878) 1.737 7.037 ( -0.022 -0.644 0.085) 0.649 7.037 ( -0.022 0.644 0.085) 0.649 ======================= Grid point 196 (101/116) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -1.096 0.000 -1.133) 1.577 0.935 ( 1.096 0.000 1.133) 1.577 1.236 ( 0.729 0.000 -5.643) 5.690 1.236 ( -0.729 0.000 5.643) 5.690 1.427 ( -2.082 0.000 0.312) 2.106 1.427 ( 2.082 0.000 -0.312) 2.106 1.766 ( -1.858 0.000 -1.289) 2.261 1.766 ( 1.858 0.000 1.289) 2.261 1.956 ( 1.354 0.000 -3.138) 3.418 1.956 ( -1.354 0.000 3.138) 3.418 2.143 ( -7.015 0.000 -10.163) 12.349 2.143 ( 7.015 0.000 10.163) 12.349 2.245 ( -3.493 0.000 -0.332) 3.509 2.245 ( 3.493 0.000 0.332) 3.509 2.569 ( 3.030 0.000 -3.882) 4.924 2.569 ( -3.030 0.000 3.882) 4.924 2.623 ( 2.836 0.000 -2.251) 3.621 2.623 ( -2.836 0.000 2.251) 3.621 2.820 ( -0.393 0.000 -2.679) 2.708 2.820 ( 0.393 0.000 2.679) 2.708 3.457 ( -0.047 0.000 -2.400) 2.401 3.457 ( 0.047 0.000 2.400) 2.401 3.613 ( 2.811 0.000 -1.336) 3.112 3.613 ( -2.811 0.000 1.336) 3.112 4.111 ( 0.304 0.000 -0.529) 0.610 4.111 ( -0.304 0.000 0.529) 0.610 4.303 ( 0.057 0.000 -0.485) 0.488 4.303 ( -0.057 0.000 0.485) 0.488 5.072 ( -1.585 0.000 -1.239) 2.012 5.072 ( 1.585 0.000 1.239) 2.012 5.206 ( -4.098 0.000 -0.183) 4.102 5.206 ( 4.098 0.000 0.183) 4.102 5.408 ( -2.234 0.000 0.019) 2.234 5.408 ( 2.234 0.000 -0.019) 2.234 5.623 ( -3.317 0.000 -0.174) 3.321 5.623 ( 3.317 0.000 0.174) 3.321 5.755 ( -0.233 0.000 -1.697) 1.713 5.755 ( 0.233 0.000 1.697) 1.713 5.857 ( 1.084 0.000 -1.679) 1.998 5.857 ( -1.084 0.000 1.679) 1.998 6.617 ( -0.101 0.000 -1.001) 1.006 6.617 ( 0.101 0.000 1.001) 1.006 6.660 ( 1.093 0.000 -0.719) 1.308 6.660 ( -1.093 0.000 0.719) 1.308 6.931 ( -0.319 0.000 -0.749) 0.814 6.931 ( 0.319 0.000 0.749) 0.814 7.031 ( 0.281 0.000 -1.610) 1.634 7.031 ( -0.281 0.000 1.610) 1.634 ======================= Grid point 198 (102/116) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.870 0.000 -5.218) 5.290 0.952 ( 1.374 0.000 -4.590) 4.791 1.196 ( -2.121 0.000 -3.012) 3.684 1.220 ( -4.509 0.000 7.184) 8.481 1.365 ( -3.315 0.000 -2.324) 4.049 1.451 ( 1.208 0.000 -2.013) 2.347 1.714 ( -3.461 0.000 2.394) 4.208 1.797 ( -0.402 0.000 3.658) 3.680 1.888 ( -9.374 0.000 -7.177) 11.806 1.981 ( 2.167 0.000 2.241) 3.117 1.999 ( 3.507 0.000 -4.684) 5.851 2.121 ( -4.183 0.000 2.845) 5.059 2.360 ( 5.443 0.000 1.206) 5.575 2.363 ( 2.357 0.000 11.482) 11.722 2.557 ( -4.481 0.000 5.587) 7.162 2.574 ( 1.752 0.000 3.741) 4.131 2.620 ( 1.731 0.000 -1.691) 2.420 2.654 ( 2.261 0.000 2.507) 3.375 2.833 ( 2.331 0.000 -2.781) 3.628 2.881 ( 3.464 0.000 2.052) 4.026 3.412 ( -2.465 0.000 -6.005) 6.491 3.460 ( 0.354 0.000 -2.167) 2.196 3.573 ( -0.480 0.000 -2.201) 2.252 3.668 ( 4.059 0.000 -4.162) 5.813 4.098 ( -0.249 0.000 -4.099) 4.106 4.101 ( 0.661 0.000 -4.246) 4.297 4.274 ( -1.796 0.000 -2.898) 3.410 4.275 ( -2.358 0.000 -1.437) 2.761 5.065 ( 1.626 0.000 0.062) 1.627 5.095 ( -2.409 0.000 0.737) 2.519 5.153 ( 1.322 0.000 0.671) 1.482 5.265 ( 1.290 0.000 -0.892) 1.569 5.375 ( -0.563 0.000 -0.610) 0.831 5.458 ( 2.921 0.000 -1.098) 3.121 5.552 ( -3.211 0.000 -0.879) 3.329 5.676 ( 1.563 0.000 -1.023) 1.868 5.732 ( -1.598 0.000 1.271) 2.042 5.755 ( -1.979 0.000 3.950) 4.418 5.816 ( -3.870 0.000 2.977) 4.882 5.842 ( -1.953 0.000 0.685) 2.070 6.616 ( 0.495 0.000 -1.072) 1.180 6.629 ( 0.190 0.000 1.369) 1.382 6.648 ( -0.266 0.000 0.719) 0.767 6.680 ( 1.085 0.000 -0.537) 1.211 6.918 ( -0.299 0.000 -1.121) 1.160 6.937 ( -0.129 0.000 0.462) 0.480 7.028 ( 0.314 0.000 -1.622) 1.652 7.034 ( -0.435 0.000 1.722) 1.776 ======================= Grid point 199 (103/116) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 3.014 0.000 -7.213) 7.818 0.945 ( 1.524 0.000 -7.108) 7.270 1.123 ( -3.300 0.000 -1.680) 3.703 1.157 ( -5.270 0.000 8.120) 9.680 1.278 ( -3.539 0.000 -1.267) 3.759 1.438 ( -1.813 0.000 -3.592) 4.023 1.662 ( -2.668 0.000 2.100) 3.395 1.703 ( -4.191 0.000 -5.326) 6.777 1.798 ( -0.948 0.000 3.603) 3.725 1.981 ( -4.254 0.000 2.773) 5.078 2.064 ( 4.346 0.000 -2.697) 5.115 2.136 ( 2.590 0.000 4.334) 5.049 2.431 ( 1.425 0.000 9.068) 9.179 2.462 ( 4.000 0.000 -1.124) 4.154 2.490 ( -4.241 0.000 5.575) 7.005 2.606 ( -1.468 0.000 2.092) 2.556 2.691 ( 4.367 0.000 4.745) 6.449 2.760 ( 4.634 0.000 3.537) 5.829 2.855 ( 0.886 0.000 -1.343) 1.609 2.943 ( 0.683 0.000 0.689) 0.971 3.300 ( -3.844 0.000 -5.797) 6.956 3.432 ( -1.177 0.000 -6.072) 6.185 3.593 ( 4.041 0.000 -3.130) 5.111 3.723 ( 3.231 0.000 -3.810) 4.996 4.067 ( -0.178 0.000 -3.932) 3.936 4.090 ( 1.021 0.000 -6.732) 6.809 4.202 ( -3.464 0.000 -1.560) 3.799 4.208 ( -2.159 0.000 -4.400) 4.901 5.047 ( -1.665 0.000 1.469) 2.221 5.128 ( 3.359 0.000 0.195) 3.364 5.211 ( 3.464 0.000 -0.377) 3.485 5.252 ( -0.699 0.000 -1.592) 1.739 5.384 ( 1.676 0.000 -0.526) 1.757 5.478 ( -3.755 0.000 -0.963) 3.876 5.510 ( 2.766 0.000 -1.705) 3.249 5.637 ( -5.183 0.000 1.199) 5.320 5.712 ( -2.026 0.000 1.221) 2.365 5.713 ( -4.325 0.000 4.297) 6.097 5.773 ( -0.732 0.000 1.626) 1.783 5.807 ( -1.939 0.000 2.620) 3.259 6.623 ( 0.835 0.000 -1.367) 1.602 6.633 ( -0.499 0.000 1.773) 1.842 6.663 ( 1.008 0.000 0.640) 1.194 6.695 ( 0.570 0.000 -0.317) 0.652 6.910 ( 0.243 0.000 -1.320) 1.342 6.932 ( -0.545 0.000 0.492) 0.734 7.026 ( 0.456 0.000 -1.788) 1.846 7.033 ( -0.655 0.000 1.866) 1.977 ======================= Grid point 200 (104/116) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 1.502 0.000 -4.055) 4.324 0.939 ( 0.595 0.000 -3.070) 3.127 1.071 ( 0.122 0.000 -2.782) 2.784 1.099 ( -3.945 0.000 4.178) 5.746 1.256 ( 1.092 0.000 4.477) 4.608 1.344 ( -4.215 0.000 -4.142) 5.910 1.635 ( -0.930 0.000 1.397) 1.678 1.642 ( -0.343 0.000 -3.374) 3.391 1.824 ( 2.321 0.000 1.111) 2.573 1.896 ( -4.878 0.000 2.433) 5.451 2.132 ( 3.368 0.000 -1.570) 3.716 2.171 ( -1.053 0.000 1.835) 2.115 2.455 ( -1.585 0.000 5.194) 5.431 2.476 ( -0.294 0.000 -4.398) 4.408 2.583 ( 6.819 0.000 8.056) 10.554 2.634 ( 1.739 0.000 4.153) 4.503 2.742 ( 0.156 0.000 -1.079) 1.090 2.819 ( -2.810 0.000 -2.286) 3.623 2.874 ( 0.671 0.000 2.294) 2.390 2.890 ( -1.659 0.000 -2.819) 3.271 3.266 ( 1.828 0.000 2.185) 2.849 3.350 ( -2.991 0.000 -6.259) 6.937 3.677 ( 4.874 0.000 -2.156) 5.329 3.737 ( -0.941 0.000 -0.770) 1.216 4.053 ( -0.222 0.000 0.453) 0.505 4.064 ( 0.208 0.000 -5.116) 5.120 4.143 ( -1.344 0.000 0.168) 1.354 4.153 ( -0.989 0.000 -3.188) 3.338 5.056 ( 1.619 0.000 1.939) 2.527 5.121 ( -2.783 0.000 -2.189) 3.541 5.287 ( 4.162 0.000 -0.620) 4.208 5.304 ( 4.871 0.000 0.632) 4.912 5.392 ( -3.585 0.000 -0.529) 3.624 5.412 ( -0.404 0.000 -0.638) 0.755 5.532 ( -3.489 0.000 0.828) 3.586 5.534 ( -0.302 0.000 -0.871) 0.922 5.657 ( -1.842 0.000 2.193) 2.864 5.671 ( -2.153 0.000 1.111) 2.423 5.782 ( 0.724 0.000 -0.430) 0.842 5.792 ( -1.029 0.000 1.925) 2.183 6.631 ( 0.732 0.000 -1.681) 1.833 6.633 ( -0.506 0.000 1.841) 1.909 6.686 ( 0.784 0.000 0.485) 0.921 6.698 ( -0.137 0.000 -0.276) 0.308 6.913 ( 0.684 0.000 -1.192) 1.374 6.922 ( -0.739 0.000 0.820) 1.104 7.026 ( 0.628 0.000 -1.955) 2.054 7.029 ( -0.740 0.000 1.978) 2.112 ======================= Grid point 204 (105/116) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.481 -2.184 -6.237) 6.626 0.911 ( 0.481 -2.184 6.237) 6.626 1.251 ( 1.187 1.230 -6.006) 6.244 1.251 ( -1.187 1.230 6.006) 6.244 1.374 ( -2.939 -5.253 -1.642) 6.240 1.374 ( 2.939 -5.253 1.642) 6.240 1.614 ( -4.606 -11.755 -2.581) 12.886 1.614 ( 4.606 -11.755 2.581) 12.886 1.906 ( -0.505 -3.122 -1.591) 3.540 1.906 ( 0.505 -3.122 1.591) 3.540 2.140 ( -3.689 -1.146 -1.570) 4.170 2.140 ( 3.689 -1.146 1.570) 4.170 2.256 ( -4.355 0.530 -2.611) 5.106 2.256 ( 4.355 0.530 2.611) 5.106 2.616 ( 2.048 1.430 -3.412) 4.229 2.616 ( -2.048 1.430 3.412) 4.229 2.738 ( -4.698 12.195 -6.528) 14.608 2.738 ( 4.698 12.195 6.528) 14.608 2.913 ( -2.846 8.421 -4.033) 9.761 2.913 ( 2.846 8.421 4.033) 9.761 3.446 ( -0.319 -1.137 -2.369) 2.647 3.446 ( 0.319 -1.137 2.369) 2.647 3.597 ( 2.491 -1.747 -1.536) 3.408 3.597 ( -2.491 -1.747 1.536) 3.408 4.091 ( 0.257 -1.958 -1.586) 2.533 4.091 ( -0.257 -1.958 1.586) 2.533 4.276 ( -0.355 -2.451 -0.518) 2.530 4.276 ( 0.355 -2.451 0.518) 2.530 5.079 ( -1.171 0.702 -0.801) 1.582 5.079 ( 1.171 0.702 0.801) 1.582 5.201 ( -3.149 -0.488 -0.604) 3.243 5.201 ( 3.149 -0.488 0.604) 3.243 5.420 ( -1.365 1.136 -0.545) 1.858 5.420 ( 1.365 1.136 0.545) 1.858 5.603 ( -2.642 -1.773 -0.439) 3.212 5.603 ( 2.642 -1.773 0.439) 3.212 5.755 ( -0.203 -0.147 -1.225) 1.250 5.755 ( 0.203 -0.147 1.225) 1.250 5.863 ( 0.632 0.596 -1.394) 1.643 5.863 ( -0.632 0.596 1.394) 1.643 6.623 ( -0.083 0.567 -0.801) 0.985 6.623 ( 0.083 0.567 0.801) 0.985 6.664 ( 0.287 0.378 -0.788) 0.920 6.664 ( -0.287 0.378 0.788) 0.920 6.923 ( -0.119 -0.748 -1.188) 1.409 6.923 ( 0.119 -0.748 1.188) 1.409 7.033 ( 0.248 0.179 -1.287) 1.323 7.033 ( -0.248 0.179 1.287) 1.323 ======================= Grid point 206 (106/116) ======================= q-point: ( 0.14 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 1.723 -2.560 -8.892) 9.412 0.948 ( 0.878 -0.432 0.938) 1.355 1.210 ( -3.967 0.091 3.639) 5.384 1.234 ( -3.133 0.882 0.544) 3.300 1.294 ( -2.161 -4.704 -2.069) 5.575 1.427 ( 1.943 -3.875 0.221) 4.340 1.538 ( -3.086 -7.658 3.063) 8.806 1.748 ( 4.738 -6.856 5.242) 9.845 1.909 ( 1.048 -3.442 -0.149) 3.601 1.955 ( 2.177 -4.309 2.337) 5.363 2.039 ( -3.965 5.348 -0.016) 6.658 2.130 ( -3.846 0.321 2.579) 4.642 2.271 ( 4.203 -4.241 2.618) 6.520 2.372 ( 4.457 -2.124 1.264) 5.097 2.563 ( -4.205 3.479 0.311) 5.466 2.582 ( -5.141 5.036 -0.740) 7.235 2.639 ( -0.230 1.221 0.002) 1.243 2.826 ( 1.289 9.294 1.143) 9.452 2.884 ( 1.290 8.201 -0.418) 8.312 3.022 ( 4.628 9.732 2.008) 10.962 3.395 ( -2.544 -1.734 -6.309) 7.020 3.447 ( -0.102 -1.349 -2.611) 2.940 3.559 ( -0.567 -1.498 -1.876) 2.467 3.641 ( 3.517 -2.639 -4.501) 6.292 4.070 ( -0.503 -2.332 -2.748) 3.639 4.096 ( 1.626 -0.454 -4.696) 4.990 4.242 ( -2.100 -2.099 -1.532) 3.341 4.278 ( -0.266 -0.762 -1.667) 1.852 5.079 ( 1.602 1.225 0.091) 2.019 5.100 ( -1.508 0.547 0.616) 1.718 5.153 ( 0.940 0.042 0.297) 0.986 5.255 ( 1.335 -0.981 -0.520) 1.736 5.390 ( -0.471 1.487 -0.483) 1.633 5.465 ( 2.555 0.680 -1.013) 2.832 5.541 ( -2.878 -1.032 -0.679) 3.132 5.652 ( 1.533 -2.205 0.046) 2.686 5.727 ( -2.431 -0.425 1.425) 2.850 5.743 ( -2.653 -0.975 3.181) 4.255 5.828 ( -2.990 0.998 1.899) 3.680 5.852 ( -1.837 0.819 1.369) 2.433 6.622 ( 0.442 0.572 -0.865) 1.127 6.635 ( 0.475 0.540 0.788) 1.067 6.652 ( -0.397 0.372 0.372) 0.659 6.683 ( 0.932 0.250 -0.248) 0.996 6.910 ( -0.266 -0.744 -1.373) 1.584 6.927 ( -0.311 -0.846 0.871) 1.254 7.031 ( 0.237 0.256 -1.205) 1.254 7.035 ( -0.289 0.142 1.225) 1.266 ======================= Grid point 207 (107/116) ======================= q-point: ( 0.29 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 3.587 -1.018 -7.279) 8.179 0.964 ( 1.288 0.829 -2.428) 2.871 1.152 ( -4.318 -0.103 7.713) 8.840 1.174 ( -2.258 2.597 -0.746) 3.521 1.251 ( -1.590 -0.580 0.576) 1.788 1.462 ( 0.718 1.020 -2.661) 2.939 1.511 ( -0.787 -4.592 5.038) 6.862 1.813 ( -0.556 1.705 1.976) 2.668 1.885 ( -3.594 4.224 1.189) 5.672 1.982 ( 2.873 -3.087 -1.558) 4.496 2.013 ( -3.502 1.410 0.398) 3.796 2.149 ( 2.863 0.009 5.207) 5.942 2.337 ( 1.577 -6.786 2.608) 7.439 2.441 ( 4.095 -2.310 0.337) 4.714 2.517 ( -2.896 2.628 3.959) 5.565 2.555 ( 2.563 -4.956 4.932) 7.447 2.630 ( -0.608 0.252 3.037) 3.107 2.821 ( -0.855 1.709 -2.981) 3.541 2.907 ( -0.664 8.367 0.213) 8.396 3.061 ( -2.108 5.209 -3.558) 6.651 3.302 ( -1.611 0.207 -4.322) 4.617 3.407 ( -1.359 -1.939 -5.323) 5.826 3.577 ( 3.797 -1.550 -3.065) 5.120 3.686 ( 3.166 -3.250 -4.433) 6.343 4.051 ( 0.242 -0.862 -2.300) 2.468 4.109 ( 2.572 1.521 -6.320) 6.991 4.177 ( -2.925 -0.817 -2.062) 3.671 4.246 ( -1.467 1.662 -2.795) 3.567 5.065 ( -1.256 1.685 1.333) 2.489 5.135 ( 3.061 0.654 -0.474) 3.166 5.211 ( 3.832 -0.057 -0.332) 3.847 5.252 ( -0.259 -0.095 -1.158) 1.191 5.399 ( 1.304 1.338 -0.098) 1.871 5.475 ( -3.404 -0.243 -0.712) 3.486 5.509 ( 2.363 -0.117 -1.714) 2.922 5.630 ( -4.920 -0.729 1.655) 5.242 5.672 ( -4.137 -2.581 4.571) 6.684 5.704 ( -1.916 -1.288 0.168) 2.315 5.788 ( -1.513 1.167 2.229) 2.936 5.821 ( -1.961 0.952 2.510) 3.324 6.629 ( 0.770 0.530 -1.135) 1.470 6.641 ( -0.417 0.634 1.373) 1.569 6.662 ( 1.024 0.019 0.020) 1.025 6.696 ( 0.394 0.107 -0.100) 0.421 6.901 ( 0.203 -0.898 -1.543) 1.797 6.921 ( -0.715 -0.962 0.897) 1.497 7.029 ( 0.308 0.291 -1.249) 1.319 7.035 ( -0.431 0.191 1.238) 1.325 ======================= Grid point 208 (108/116) ======================= q-point: ( 0.43 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.136 1.040 -2.451) 4.114 0.967 ( -0.386 1.323 -1.350) 1.929 1.118 ( -1.274 2.941 1.766) 3.660 1.132 ( -1.714 1.919 -0.301) 2.591 1.279 ( 2.455 3.729 6.732) 8.078 1.389 ( -3.921 4.802 -5.852) 8.525 1.596 ( 5.025 0.178 5.696) 7.598 1.746 ( -5.279 5.686 -5.124) 9.298 1.859 ( 0.973 3.102 -0.786) 3.345 1.902 ( -4.422 1.263 2.484) 5.226 2.073 ( 4.085 -4.856 -0.546) 6.369 2.143 ( -3.115 -3.126 0.850) 4.495 2.450 ( 2.059 -0.843 3.436) 4.093 2.470 ( 0.011 -0.236 -0.764) 0.800 2.575 ( 6.705 -1.460 5.511) 8.801 2.657 ( 4.045 -0.274 7.380) 8.420 2.696 ( 2.997 -7.481 5.217) 9.601 2.763 ( -2.190 0.883 -3.032) 3.843 2.829 ( -5.172 -2.020 -4.254) 6.995 2.900 ( -7.668 -0.790 -9.031) 11.873 3.306 ( 1.693 2.313 0.915) 3.009 3.352 ( -1.485 0.588 -3.427) 3.781 3.654 ( 4.367 -1.899 -1.890) 5.124 3.703 ( -0.234 -2.663 -1.383) 3.010 4.056 ( 1.430 0.560 -1.590) 2.210 4.095 ( -2.684 1.921 0.330) 3.317 4.149 ( 2.495 1.519 -3.555) 4.601 4.195 ( -2.304 2.884 -1.220) 3.888 5.077 ( 1.534 1.911 1.736) 3.003 5.133 ( -2.214 1.128 -2.000) 3.190 5.285 ( 4.319 0.012 -1.115) 4.460 5.309 ( 4.626 0.204 0.238) 4.637 5.394 ( -3.486 0.207 0.018) 3.492 5.418 ( -1.217 0.507 -0.111) 1.323 5.530 ( -1.583 0.021 0.705) 1.733 5.533 ( -1.564 -0.595 -0.477) 1.740 5.629 ( -1.525 -2.329 3.201) 4.242 5.656 ( -2.377 -1.051 -0.462) 2.639 5.790 ( 0.495 0.613 0.487) 0.926 5.803 ( -1.034 0.736 1.379) 1.874 6.637 ( 0.639 0.506 -1.282) 1.519 6.640 ( -0.418 0.558 1.374) 1.541 6.682 ( 0.909 -0.159 0.032) 0.923 6.696 ( -0.355 -0.084 -0.017) 0.366 6.902 ( 0.707 -1.052 -1.464) 1.937 6.911 ( -0.859 -1.058 1.168) 1.795 7.030 ( 0.428 0.291 -1.266) 1.368 7.032 ( -0.506 0.259 1.252) 1.375 ======================= Grid point 212 (109/116) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.630 -2.070 -6.947) 7.277 0.864 ( 0.630 -2.070 6.947) 7.277 1.212 ( -3.125 -7.903 -2.910) 8.982 1.212 ( 3.125 -7.903 2.910) 8.982 1.286 ( 1.744 0.123 -3.892) 4.267 1.286 ( -1.744 0.123 3.892) 4.267 1.424 ( -0.164 -5.758 -0.730) 5.807 1.424 ( 0.164 -5.758 0.730) 5.807 1.851 ( -0.016 -2.113 -1.689) 2.705 1.851 ( 0.016 -2.113 1.689) 2.705 2.131 ( 0.621 0.404 -0.854) 1.130 2.131 ( -0.621 0.404 0.854) 1.130 2.242 ( -0.020 -1.537 -0.820) 1.742 2.242 ( 0.020 -1.537 0.820) 1.742 2.637 ( 0.638 0.776 -1.262) 1.613 2.637 ( -0.638 0.776 1.262) 1.613 3.006 ( -4.620 12.733 -8.295) 15.884 3.006 ( 4.620 12.733 8.295) 15.884 3.107 ( -4.267 9.892 -4.337) 11.613 3.107 ( 4.267 9.892 4.337) 11.613 3.405 ( -0.800 -3.341 -3.338) 4.790 3.405 ( 0.800 -3.341 3.338) 4.790 3.538 ( 0.510 -4.084 -1.813) 4.497 3.538 ( -0.510 -4.084 1.813) 4.497 4.044 ( -0.325 -2.224 -1.347) 2.621 4.044 ( 0.325 -2.224 1.347) 2.621 4.219 ( -0.940 -2.733 -0.174) 2.895 4.219 ( 0.940 -2.733 0.174) 2.895 5.098 ( -0.341 1.103 -0.067) 1.157 5.098 ( 0.341 1.103 0.067) 1.157 5.187 ( -1.789 -0.836 -0.821) 2.139 5.187 ( 1.789 -0.836 0.821) 2.139 5.450 ( -0.493 1.719 -0.666) 1.908 5.450 ( 0.493 1.719 0.666) 1.908 5.562 ( -1.777 -2.104 -0.240) 2.764 5.562 ( 1.777 -2.104 0.240) 2.764 5.748 ( -0.085 -0.396 -0.596) 0.720 5.748 ( 0.085 -0.396 0.596) 0.720 5.876 ( 0.109 0.592 -0.838) 1.032 5.876 ( -0.109 0.592 0.838) 1.032 6.638 ( -0.087 0.746 -0.368) 0.836 6.638 ( 0.087 0.746 0.368) 0.836 6.672 ( -0.135 0.260 -0.795) 0.847 6.672 ( 0.135 0.260 0.795) 0.847 6.906 ( -0.043 -0.780 -1.131) 1.374 6.906 ( 0.043 -0.780 1.131) 1.374 7.037 ( 0.144 0.160 -0.649) 0.684 7.037 ( -0.144 0.160 0.649) 0.684 ======================= Grid point 214 (110/116) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 3.083 0.504 -6.126) 6.877 0.929 ( 2.098 -1.685 3.435) 4.364 1.127 ( -3.826 -4.068 5.718) 7.992 1.233 ( -1.571 -3.034 -0.475) 3.449 1.298 ( 0.716 2.969 3.318) 4.510 1.332 ( 1.522 -2.004 5.009) 5.605 1.453 ( 1.613 -3.558 5.583) 6.814 1.548 ( 8.729 -10.472 6.576) 15.136 1.852 ( 0.704 -2.664 -0.608) 2.822 1.872 ( 0.895 -2.910 1.785) 3.529 2.093 ( -3.916 1.172 3.386) 5.308 2.116 ( -2.838 -0.885 4.062) 5.033 2.233 ( 2.454 -0.118 -1.000) 2.653 2.312 ( 3.896 -3.282 -1.320) 5.262 2.614 ( -2.023 2.170 1.427) 3.292 2.649 ( -0.180 0.412 0.959) 1.059 2.812 ( -8.528 13.593 -10.167) 18.997 3.001 ( -3.141 9.084 -6.193) 11.434 3.089 ( 0.083 8.777 2.419) 9.105 3.186 ( 1.323 5.744 -0.658) 5.931 3.337 ( -2.647 -4.398 -6.623) 8.379 3.411 ( -0.265 -1.864 -1.821) 2.619 3.508 ( -0.001 -3.407 -1.901) 3.902 3.572 ( 2.958 -3.665 -3.579) 5.916 4.032 ( 0.667 -0.818 -0.966) 1.430 4.083 ( 3.080 -1.076 -3.271) 4.620 4.199 ( -0.692 -1.623 -0.532) 1.843 4.246 ( 1.586 -2.250 -1.457) 3.115 5.105 ( 0.776 1.069 0.025) 1.322 5.117 ( 1.023 0.914 -0.057) 1.373 5.158 ( 0.259 0.685 0.129) 0.744 5.227 ( 1.319 -1.743 0.121) 2.189 5.430 ( -0.440 2.225 0.020) 2.268 5.481 ( 1.718 0.709 -0.915) 2.072 5.519 ( -2.023 -0.696 -0.151) 2.145 5.599 ( 1.297 -2.963 0.588) 3.288 5.717 ( -3.211 -0.479 1.793) 3.708 5.723 ( -3.379 -0.895 2.597) 4.355 5.850 ( -2.266 1.042 1.198) 2.767 5.866 ( -1.808 0.377 1.606) 2.447 6.635 ( 0.187 0.660 -0.458) 0.824 6.647 ( 0.468 0.444 -0.010) 0.645 6.662 ( 0.043 0.723 -0.605) 0.943 6.687 ( 0.719 0.040 0.098) 0.727 6.894 ( -0.392 -0.640 -1.147) 1.371 6.907 ( -0.532 -1.022 1.088) 1.585 7.036 ( 0.097 0.224 -0.479) 0.538 7.038 ( -0.047 0.124 0.362) 0.386 ======================= Grid point 215 (111/116) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 4.140 2.413 -3.224) 5.776 0.973 ( 1.382 -0.100 -0.124) 1.391 1.122 ( -1.607 -0.645 9.074) 9.238 1.190 ( -2.002 -1.516 -1.013) 2.708 1.336 ( 0.860 7.613 7.730) 10.883 1.442 ( 6.171 1.281 6.915) 9.356 1.516 ( 1.857 0.437 1.834) 2.647 1.782 ( 7.768 -6.384 7.802) 12.727 1.865 ( -0.909 -3.306 3.173) 4.672 1.899 ( 1.341 -3.027 0.519) 3.351 2.042 ( -2.374 -1.248 3.509) 4.417 2.108 ( 0.506 -3.399 6.837) 7.652 2.273 ( 0.252 0.967 -3.482) 3.623 2.382 ( 3.980 -3.589 -1.311) 5.517 2.549 ( -4.763 4.823 -1.388) 6.919 2.623 ( -2.860 7.594 -2.860) 8.604 2.640 ( -1.506 0.138 1.785) 2.340 2.900 ( -3.631 5.081 -5.722) 8.470 2.994 ( -6.977 -1.784 -8.325) 11.008 3.112 ( -7.744 0.642 -5.974) 9.802 3.288 ( 1.749 -0.642 -2.051) 2.771 3.393 ( -0.202 -0.303 -2.598) 2.624 3.542 ( 4.337 -0.922 -2.686) 5.184 3.620 ( 3.631 -2.955 -4.084) 6.212 4.051 ( 1.427 1.028 -0.938) 1.993 4.127 ( 2.944 -0.812 -4.796) 5.686 4.179 ( -0.653 1.761 -0.415) 1.923 4.259 ( 0.551 -0.509 -2.025) 2.159 5.108 ( -0.140 2.372 1.029) 2.590 5.151 ( 2.342 0.675 -1.339) 2.781 5.209 ( 4.164 -0.022 -0.341) 4.178 5.243 ( 0.907 -0.889 -0.816) 1.509 5.428 ( -0.193 1.287 0.318) 1.340 5.470 ( -2.128 -0.441 -0.518) 2.235 5.514 ( 1.270 1.127 -0.414) 1.748 5.602 ( -3.108 -2.108 3.070) 4.850 5.634 ( -5.479 -0.795 3.177) 6.383 5.671 ( -1.833 -1.888 0.325) 2.651 5.812 ( -2.066 1.134 2.190) 3.217 5.834 ( -2.077 0.230 2.275) 3.089 6.638 ( 0.343 0.317 -0.460) 0.656 6.649 ( -0.143 0.086 0.147) 0.222 6.672 ( 1.132 1.004 -1.091) 1.866 6.699 ( 0.324 0.111 0.174) 0.384 6.881 ( -0.145 -0.784 -1.205) 1.445 6.898 ( -0.928 -1.226 1.132) 1.910 7.035 ( 0.121 0.272 -0.506) 0.587 7.038 ( -0.123 0.134 0.332) 0.378 ======================= Grid point 216 (112/116) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 2.405 1.319 -1.409) 3.084 0.984 ( -0.408 0.314 0.106) 0.525 1.137 ( -1.370 0.118 6.576) 6.719 1.151 ( -0.282 -0.100 -3.470) 3.483 1.426 ( 2.931 9.201 8.603) 12.933 1.517 ( -1.165 6.448 -4.993) 8.238 1.654 ( 9.459 5.625 6.704) 12.886 1.818 ( -4.826 0.850 1.978) 5.284 1.891 ( 2.469 1.241 3.593) 4.533 1.970 ( 3.218 -4.291 0.826) 5.427 1.996 ( -3.444 2.825 0.139) 4.456 2.091 ( -6.411 2.158 -7.625) 10.193 2.333 ( 9.205 -11.822 11.198) 18.705 2.462 ( 3.286 -5.204 -0.225) 6.159 2.491 ( -1.732 1.250 0.895) 2.316 2.591 ( -3.566 -4.933 -4.364) 7.489 2.667 ( 5.204 2.526 4.304) 7.210 2.785 ( -3.949 -1.833 -5.838) 7.282 2.806 ( -4.810 1.693 -2.616) 5.731 2.877 ( -9.602 -1.259 -8.003) 12.563 3.331 ( 2.140 0.945 0.481) 2.389 3.370 ( -0.934 0.232 -1.957) 2.181 3.621 ( 3.754 -0.915 -1.356) 4.095 3.654 ( 0.796 -2.042 -1.604) 2.716 4.075 ( 1.601 1.238 -0.822) 2.184 4.112 ( -1.842 -0.056 -0.956) 2.076 4.203 ( 2.540 3.096 -0.989) 4.125 4.243 ( -1.216 1.569 -1.034) 2.238 5.125 ( 1.172 2.564 1.167) 3.051 5.158 ( -0.927 1.137 -1.371) 2.008 5.288 ( 4.440 0.270 -1.743) 4.777 5.306 ( 4.590 -0.434 -0.660) 4.657 5.401 ( -2.693 0.589 0.541) 2.809 5.426 ( -2.444 0.129 0.134) 2.451 5.507 ( -2.056 -1.591 0.327) 2.621 5.521 ( -3.835 -1.297 3.027) 5.055 5.599 ( 0.993 0.147 1.223) 1.582 5.640 ( -1.733 -0.626 -0.711) 1.975 5.800 ( -0.098 0.371 1.170) 1.231 5.812 ( -1.079 0.054 0.969) 1.452 6.643 ( 0.258 0.003 -0.098) 0.276 6.647 ( -0.147 -0.023 -0.029) 0.151 6.689 ( 1.031 0.791 -1.011) 1.646 6.700 ( -0.459 0.450 0.592) 0.874 6.877 ( 0.496 -1.121 -1.281) 1.772 6.885 ( -0.929 -1.298 1.243) 2.024 7.035 ( 0.176 0.256 -0.466) 0.560 7.037 ( -0.199 0.190 0.379) 0.469 ======================= Grid point 220 (113/116) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.000 0.000 -0.000) 0.000 0.843 ( 0.000 0.000 0.000) 0.000 1.112 ( -0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 1.829 ( 0.000 0.000 0.000) 0.000 2.142 ( -0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 -0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 3.159 ( -0.000 0.000 0.000) 0.000 3.159 ( -0.000 0.000 0.000) 0.000 3.277 ( -0.000 -0.000 0.000) 0.000 3.277 ( -0.000 0.000 0.000) 0.000 3.308 ( 0.000 -0.000 0.000) 0.000 3.308 ( -0.000 0.000 0.000) 0.000 3.475 ( -0.000 0.000 0.000) 0.000 3.475 ( -0.000 0.000 0.000) 0.000 4.019 ( 0.000 -0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.188 ( -0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.474 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.647 ( -0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (114/116) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 3.365 -2.374 0.600) 4.161 0.885 ( 3.365 2.374 0.600) 4.161 1.135 ( -0.623 -4.567 6.838) 8.247 1.135 ( -0.623 4.567 6.838) 8.247 1.341 ( 4.263 -2.411 4.762) 6.831 1.341 ( 4.263 2.411 4.762) 6.831 1.409 ( 2.653 -3.343 4.664) 6.322 1.409 ( 2.653 3.343 4.664) 6.322 1.833 ( 0.392 -0.866 -0.197) 0.971 1.833 ( 0.392 0.866 -0.197) 0.971 2.106 ( -3.787 -0.393 3.849) 5.414 2.106 ( -3.787 0.393 3.849) 5.414 2.254 ( 3.210 -2.166 -1.578) 4.181 2.254 ( 3.210 2.166 -1.578) 4.181 2.645 ( -0.571 -0.879 1.023) 1.465 2.645 ( -0.571 0.879 1.023) 1.465 3.050 ( -6.688 -8.159 -9.804) 14.402 3.050 ( -6.688 8.159 -9.804) 14.402 3.210 ( -4.260 -7.747 -6.524) 10.988 3.210 ( -4.260 7.747 -6.524) 10.988 3.322 ( 0.301 -7.412 1.715) 7.614 3.322 ( 0.301 7.412 1.715) 7.614 3.504 ( 3.054 -2.980 -1.915) 4.677 3.504 ( 3.054 2.980 -1.915) 4.677 4.047 ( 2.433 -2.014 -0.607) 3.216 4.047 ( 2.433 2.014 -0.607) 3.216 4.201 ( 1.554 -1.709 -1.347) 2.674 4.201 ( 1.554 1.709 -1.347) 2.674 5.120 ( 1.018 -0.480 -0.374) 1.186 5.120 ( 1.018 0.480 -0.374) 1.186 5.188 ( 0.905 -2.056 0.401) 2.282 5.188 ( 0.905 2.056 0.401) 2.282 5.470 ( -0.496 -1.608 0.032) 1.684 5.470 ( -0.496 1.608 0.032) 1.684 5.541 ( 0.724 -2.517 0.034) 2.619 5.541 ( 0.724 2.517 0.034) 2.619 5.713 ( -3.552 -0.094 2.218) 4.189 5.713 ( -3.552 0.094 2.218) 4.189 5.865 ( -1.958 -0.431 1.342) 2.413 5.865 ( -1.958 0.431 1.342) 2.413 6.647 ( 0.066 -0.419 -0.366) 0.560 6.647 ( 0.066 0.419 -0.366) 0.560 6.680 ( 0.661 -0.762 -0.455) 1.107 6.680 ( 0.661 0.762 -0.455) 1.107 6.891 ( -0.572 -0.412 0.150) 0.721 6.891 ( -0.572 0.412 0.150) 0.721 7.039 ( 0.046 -0.057 -0.084) 0.111 7.039 ( 0.046 0.057 -0.084) 0.111 ======================= Grid point 226 (115/116) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 2.578 -1.940 -0.543) 3.271 0.952 ( 2.578 1.940 -0.543) 3.271 1.145 ( -1.608 -2.383 5.573) 6.271 1.145 ( -1.608 2.383 5.573) 6.271 1.462 ( 3.641 -4.681 7.488) 9.552 1.462 ( 3.641 4.681 7.488) 9.552 1.587 ( 10.046 -10.878 9.184) 17.424 1.587 ( 10.046 10.878 9.184) 17.424 1.845 ( 0.734 -1.788 1.212) 2.281 1.845 ( 0.734 1.788 1.212) 2.281 2.051 ( -3.628 -2.074 4.487) 6.132 2.051 ( -3.628 2.074 4.487) 6.132 2.315 ( 3.279 -2.841 -1.934) 4.750 2.315 ( 3.279 2.841 -1.934) 4.750 2.622 ( -2.534 -2.074 0.252) 3.284 2.622 ( -2.534 2.074 0.252) 3.284 2.828 ( -7.647 -10.560 -11.170) 17.169 2.828 ( -7.647 10.560 -11.170) 17.169 3.044 ( -7.788 -6.110 -6.857) 12.041 3.044 ( -7.788 6.110 -6.857) 12.041 3.340 ( 1.224 -4.244 -1.054) 4.541 3.340 ( 1.224 4.244 -1.054) 4.541 3.566 ( 4.206 -2.466 -3.109) 5.782 3.566 ( 4.206 2.466 -3.109) 5.782 4.088 ( 1.818 -2.359 -1.637) 3.399 4.088 ( 1.818 2.359 -1.637) 3.399 4.228 ( 1.657 -2.383 -1.289) 3.176 4.228 ( 1.657 2.383 -1.289) 3.176 5.147 ( 1.359 -1.255 -0.068) 1.851 5.147 ( 1.359 1.255 -0.068) 1.851 5.220 ( 2.772 -1.136 -0.907) 3.130 5.220 ( 2.772 1.136 -0.907) 3.130 5.451 ( -1.316 -1.190 -0.134) 1.779 5.451 ( -1.316 1.190 -0.134) 1.779 5.555 ( -0.818 -2.463 2.034) 3.297 5.555 ( -0.818 2.463 2.034) 3.297 5.638 ( -3.869 -1.105 1.648) 4.348 5.638 ( -3.869 1.105 1.648) 4.348 5.830 ( -2.193 -0.616 2.139) 3.125 5.830 ( -2.193 0.616 2.139) 3.125 6.645 ( 0.028 -0.375 -0.437) 0.576 6.645 ( 0.028 0.375 -0.437) 0.576 6.693 ( 0.853 -0.818 -0.664) 1.356 6.693 ( 0.853 0.818 -0.664) 1.356 6.878 ( -0.751 -0.562 0.231) 0.966 6.878 ( -0.751 0.562 0.231) 0.966 7.039 ( 0.021 -0.084 -0.121) 0.149 7.039 ( 0.021 0.084 -0.121) 0.149 ======================= Grid point 228 (116/116) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.556 -0.744 -0.508) 1.059 0.978 ( 0.556 0.744 -0.508) 1.059 1.143 ( -0.677 -0.471 2.167) 2.318 1.143 ( -0.677 0.471 2.167) 2.318 1.565 ( 2.584 -2.959 3.156) 5.040 1.565 ( 2.584 2.959 3.156) 5.040 1.778 ( 2.342 -4.669 1.997) 5.593 1.778 ( 2.342 4.669 1.997) 5.593 1.915 ( 3.492 -1.507 3.454) 5.137 1.915 ( 3.492 1.507 3.454) 5.137 2.056 ( 3.206 -8.562 10.649) 14.036 2.056 ( 3.206 8.562 10.649) 14.036 2.299 ( -4.335 -9.775 -9.643) 14.399 2.299 ( -4.335 9.775 -9.643) 14.399 2.528 ( -2.962 -1.987 -2.533) 4.375 2.528 ( -2.962 1.987 -2.533) 4.375 2.728 ( 1.864 -3.256 -0.470) 3.781 2.728 ( 1.864 3.256 -0.470) 3.781 2.847 ( -7.499 -1.900 -4.689) 9.046 2.847 ( -7.499 1.900 -4.689) 9.046 3.355 ( 0.685 -1.300 -0.820) 1.683 3.355 ( 0.685 1.300 -0.820) 1.683 3.624 ( 2.198 -0.963 -1.383) 2.770 3.624 ( 2.198 0.963 -1.383) 2.770 4.100 ( 0.325 -1.077 -1.032) 1.527 4.100 ( 0.325 1.077 -1.032) 1.527 4.248 ( 0.676 -1.132 -0.434) 1.388 4.248 ( 0.676 1.132 -0.434) 1.388 5.163 ( 0.319 -0.926 -0.021) 0.979 5.163 ( 0.319 0.926 -0.021) 0.979 5.296 ( 4.664 -0.487 -1.561) 4.942 5.296 ( 4.664 0.487 -1.561) 4.942 5.417 ( -1.953 -0.905 -0.026) 2.152 5.417 ( -1.953 0.905 -0.026) 2.152 5.494 ( -4.405 -0.700 2.747) 5.238 5.494 ( -4.405 0.700 2.747) 5.238 5.621 ( 0.482 -1.345 -0.052) 1.429 5.621 ( 0.482 1.345 -0.052) 1.429 5.807 ( -0.857 -0.376 1.062) 1.416 5.807 ( -0.857 0.376 1.062) 1.416 6.643 ( 0.004 -0.152 -0.194) 0.246 6.643 ( 0.004 0.152 -0.194) 0.246 6.703 ( 0.381 -0.350 -0.329) 0.613 6.703 ( 0.381 0.350 -0.329) 0.613 6.867 ( -0.352 -0.272 0.124) 0.462 6.867 ( -0.352 0.272 0.124) 0.462 7.039 ( -0.002 -0.042 -0.059) 0.073 7.039 ( -0.002 0.042 -0.059) 0.073 =================== 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 3/16128 10.0 98.562 88.048 99.685 0.000 -14.949 0.000 3/16128 20.0 29.173 26.349 33.034 0.000 -4.056 0.000 3/16128 30.0 14.081 13.224 16.695 0.000 -1.219 0.000 3/16128 40.0 8.584 8.261 10.412 0.000 -0.388 0.000 3/16128 50.0 6.019 5.883 7.396 0.000 -0.118 0.000 3/16128 60.0 4.603 4.545 5.700 0.000 -0.019 0.000 3/16128 70.0 3.724 3.701 4.633 0.000 0.020 0.000 3/16128 80.0 3.131 3.124 3.906 0.000 0.036 0.000 3/16128 90.0 2.705 2.707 3.381 0.000 0.041 0.000 3/16128 100.0 2.384 2.390 2.984 0.000 0.043 0.000 3/16128 110.0 2.134 2.142 2.673 0.000 0.042 0.000 3/16128 120.0 1.934 1.942 2.423 0.000 0.040 0.000 3/16128 130.0 1.769 1.777 2.217 0.000 0.038 0.000 3/16128 140.0 1.631 1.639 2.044 0.000 0.036 0.000 3/16128 150.0 1.513 1.521 1.897 0.000 0.034 0.000 3/16128 160.0 1.412 1.420 1.770 0.000 0.032 0.000 3/16128 170.0 1.324 1.332 1.660 0.000 0.030 0.000 3/16128 180.0 1.247 1.254 1.563 0.000 0.029 0.000 3/16128 190.0 1.178 1.185 1.477 0.000 0.027 0.000 3/16128 200.0 1.117 1.123 1.400 0.000 0.026 0.000 3/16128 210.0 1.062 1.068 1.331 0.000 0.025 0.000 3/16128 220.0 1.012 1.018 1.268 0.000 0.024 0.000 3/16128 230.0 0.966 0.972 1.211 0.000 0.023 0.000 3/16128 240.0 0.925 0.931 1.160 0.000 0.022 0.000 3/16128 250.0 0.887 0.892 1.112 0.000 0.021 0.000 3/16128 260.0 0.852 0.857 1.068 0.000 0.020 0.000 3/16128 270.0 0.820 0.825 1.028 0.000 0.019 0.000 3/16128 280.0 0.790 0.795 0.991 0.000 0.018 0.000 3/16128 290.0 0.763 0.767 0.956 0.000 0.018 0.000 3/16128 300.0 0.737 0.741 0.924 0.000 0.017 0.000 3/16128 310.0 0.713 0.717 0.893 0.000 0.017 0.000 3/16128 320.0 0.690 0.694 0.865 0.000 0.016 0.000 3/16128 330.0 0.669 0.673 0.839 0.000 0.015 0.000 3/16128 340.0 0.649 0.653 0.814 0.000 0.015 0.000 3/16128 350.0 0.631 0.634 0.790 0.000 0.015 0.000 3/16128 360.0 0.613 0.616 0.768 0.000 0.014 0.000 3/16128 370.0 0.596 0.600 0.747 0.000 0.014 0.000 3/16128 380.0 0.580 0.584 0.727 0.000 0.013 0.000 3/16128 390.0 0.565 0.569 0.709 0.000 0.013 0.000 3/16128 400.0 0.551 0.554 0.691 0.000 0.013 0.000 3/16128 410.0 0.538 0.541 0.674 0.000 0.012 0.000 3/16128 420.0 0.525 0.528 0.658 0.000 0.012 0.000 3/16128 430.0 0.513 0.515 0.642 0.000 0.012 0.000 3/16128 440.0 0.501 0.504 0.628 0.000 0.011 0.000 3/16128 450.0 0.490 0.492 0.614 0.000 0.011 0.000 3/16128 460.0 0.479 0.482 0.600 0.000 0.011 0.000 3/16128 470.0 0.469 0.471 0.587 0.000 0.011 0.000 3/16128 480.0 0.459 0.461 0.575 0.000 0.010 0.000 3/16128 490.0 0.450 0.452 0.563 0.000 0.010 0.000 3/16128 500.0 0.441 0.443 0.552 0.000 0.010 0.000 3/16128 510.0 0.432 0.434 0.541 0.000 0.010 0.000 3/16128 520.0 0.424 0.426 0.531 0.000 0.010 0.000 3/16128 530.0 0.416 0.418 0.521 0.000 0.009 0.000 3/16128 540.0 0.408 0.410 0.511 0.000 0.009 0.000 3/16128 550.0 0.400 0.403 0.502 0.000 0.009 0.000 3/16128 560.0 0.393 0.395 0.493 0.000 0.009 0.000 3/16128 570.0 0.386 0.388 0.484 0.000 0.009 0.000 3/16128 580.0 0.380 0.382 0.476 0.000 0.009 0.000 3/16128 590.0 0.373 0.375 0.468 0.000 0.008 0.000 3/16128 600.0 0.367 0.369 0.460 0.000 0.008 0.000 3/16128 610.0 0.361 0.363 0.452 0.000 0.008 0.000 3/16128 620.0 0.355 0.357 0.445 0.000 0.008 0.000 3/16128 630.0 0.350 0.351 0.438 0.000 0.008 0.000 3/16128 640.0 0.344 0.346 0.431 0.000 0.008 0.000 3/16128 650.0 0.339 0.341 0.424 0.000 0.008 0.000 3/16128 660.0 0.334 0.335 0.418 0.000 0.007 0.000 3/16128 670.0 0.329 0.330 0.412 0.000 0.007 0.000 3/16128 680.0 0.324 0.326 0.406 0.000 0.007 0.000 3/16128 690.0 0.319 0.321 0.400 0.000 0.007 0.000 3/16128 700.0 0.315 0.316 0.394 0.000 0.007 0.000 3/16128 710.0 0.310 0.312 0.389 0.000 0.007 0.000 3/16128 720.0 0.306 0.307 0.383 0.000 0.007 0.000 3/16128 730.0 0.302 0.303 0.378 0.000 0.007 0.000 3/16128 740.0 0.298 0.299 0.373 0.000 0.007 0.000 3/16128 750.0 0.294 0.295 0.368 0.000 0.007 0.000 3/16128 760.0 0.290 0.291 0.363 0.000 0.006 0.000 3/16128 770.0 0.286 0.288 0.358 0.000 0.006 0.000 3/16128 780.0 0.282 0.284 0.354 0.000 0.006 0.000 3/16128 790.0 0.279 0.280 0.349 0.000 0.006 0.000 3/16128 800.0 0.275 0.277 0.345 0.000 0.006 0.000 3/16128 810.0 0.272 0.273 0.341 0.000 0.006 0.000 3/16128 820.0 0.269 0.270 0.336 0.000 0.006 0.000 3/16128 830.0 0.265 0.267 0.332 0.000 0.006 0.000 3/16128 840.0 0.262 0.264 0.328 0.000 0.006 0.000 3/16128 850.0 0.259 0.260 0.325 0.000 0.006 0.000 3/16128 860.0 0.256 0.257 0.321 0.000 0.006 0.000 3/16128 870.0 0.253 0.254 0.317 0.000 0.006 0.000 3/16128 880.0 0.250 0.252 0.314 0.000 0.006 0.000 3/16128 890.0 0.247 0.249 0.310 0.000 0.005 0.000 3/16128 900.0 0.245 0.246 0.307 0.000 0.005 0.000 3/16128 910.0 0.242 0.243 0.303 0.000 0.005 0.000 3/16128 920.0 0.239 0.241 0.300 0.000 0.005 0.000 3/16128 930.0 0.237 0.238 0.297 0.000 0.005 0.000 3/16128 940.0 0.234 0.236 0.294 0.000 0.005 0.000 3/16128 950.0 0.232 0.233 0.290 0.000 0.005 0.000 3/16128 960.0 0.229 0.231 0.287 0.000 0.005 0.000 3/16128 970.0 0.227 0.228 0.284 0.000 0.005 0.000 3/16128 980.0 0.225 0.226 0.282 0.000 0.005 0.000 3/16128 990.0 0.222 0.224 0.279 0.000 0.005 0.000 3/16128 1000.0 0.220 0.221 0.276 0.000 0.005 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m768.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:55:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|