# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3a0b4701-1db8-4e89-8dbb-f30cb49ec801/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Hf3Tl2(CuSe4)2 / C2/m (12) / materials id 570700](https://mdr.nims.go.jp/datasets/40c607f3-efbf-4f88-b956-ca673389612b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 19:02:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 4 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 7.233848912228368 -1.882250664999999 0.000000000000000 b 7.233848912228368 1.882250664999999 0.000000000000000 c -5.729677162404773 0.000000000000000 12.942866864811563Atomic positions (fractional): *1 Hf 0.65899837458607 0.65899837458607 0.37856987112822 178.490 2 Hf 0.34100162541394 0.34100162541394 0.62143012887178 178.490 *3 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 *4 Tl 0.33947172376864 0.33947172376865 0.20351789202511 204.383 5 Tl 0.66052827623136 0.66052827623136 0.79648210797489 204.383 *6 Cu 0.04664116222823 0.04664116222823 0.19704315891856 63.546 7 Cu 0.95335883777177 0.95335883777177 0.80295684108145 63.546 *8 Se 0.89216094655858 0.89216094655858 0.04392113828822 78.960 *9 Se 0.02144977671454 0.02144977671454 0.35457358674978 78.960 10 Se 0.97855022328546 0.97855022328546 0.64542641325022 78.960 *11 Se 0.69809778650634 0.69809778650634 0.58007347839286 78.960 12 Se 0.30190221349366 0.30190221349367 0.41992652160714 78.960 *13 Se 0.35011821364536 0.35011821364536 0.81163157116741 78.960 14 Se 0.64988178635464 0.64988178635464 0.18836842883259 78.960 15 Se 0.10783905344142 0.10783905344142 0.95607886171178 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 14.467697824456735 0.000000000000000 0.000000000000000 b 0.000000000000000 3.764501329999999 0.000000000000000 c -5.729677162404773 0.000000000000000 12.942866864811563Atomic positions (fractional): *1 Hf 0.15899837458606 0.50000000000000 0.37856987112822 178.490 > 1 2 Hf 0.84100162541394 0.50000000000000 0.62143012887178 178.490 > 2 *3 Hf 0.00000000000000 0.50000000000000 0.00000000000000 178.490 > 3 4 Hf 0.65899837458606 0.00000000000000 0.37856987112822 178.490 > 1 5 Hf 0.34100162541393 0.00000000000000 0.62143012887178 178.490 > 2 6 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 3 *7 Tl 0.83947172376864 0.50000000000000 0.20351789202511 204.383 > 4 8 Tl 0.16052827623135 0.50000000000000 0.79648210797489 204.383 > 5 9 Tl 0.33947172376864 0.00000000000000 0.20351789202511 204.383 > 4 10 Tl 0.66052827623136 0.00000000000000 0.79648210797489 204.383 > 5 *11 Cu 0.04664116222823 0.00000000000000 0.19704315891856 63.546 > 6 12 Cu 0.95335883777177 0.00000000000000 0.80295684108145 63.546 > 7 13 Cu 0.54664116222823 0.50000000000000 0.19704315891856 63.546 > 6 14 Cu 0.45335883777177 0.50000000000000 0.80295684108145 63.546 > 7 *15 Se 0.89216094655858 0.00000000000000 0.04392113828822 78.960 > 8 *16 Se 0.02144977671454 0.00000000000000 0.35457358674978 78.960 > 9 17 Se 0.97855022328546 0.00000000000000 0.64542641325022 78.960 > 10 *18 Se 0.19809778650633 0.50000000000000 0.58007347839286 78.960 > 11 19 Se 0.80190221349366 0.50000000000000 0.41992652160714 78.960 > 12 *20 Se 0.35011821364536 0.00000000000000 0.81163157116741 78.960 > 13 21 Se 0.64988178635464 0.00000000000000 0.18836842883259 78.960 > 14 22 Se 0.10783905344142 0.00000000000000 0.95607886171178 78.960 > 15 23 Se 0.39216094655858 0.50000000000000 0.04392113828822 78.960 > 8 24 Se 0.52144977671454 0.50000000000000 0.35457358674978 78.960 > 9 25 Se 0.47855022328546 0.50000000000000 0.64542641325022 78.960 > 10 26 Se 0.69809778650634 0.00000000000000 0.58007347839286 78.960 > 11 27 Se 0.30190221349366 0.00000000000000 0.41992652160714 78.960 > 12 28 Se 0.85011821364536 0.50000000000000 0.81163157116741 78.960 > 13 29 Se 0.14988178635464 0.50000000000000 0.18836842883259 78.960 > 14 30 Se 0.60783905344142 0.50000000000000 0.95607886171178 78.960 > 15-------------------------------- super cell --------------------------------Lattice vectors: a 14.467697824456735 0.000000000000000 0.000000000000000 b 0.000000000000000 15.058005319999996 0.000000000000000 c -5.729677162404773 0.000000000000000 12.942866864811563Atomic positions (fractional): *1 Hf 0.15899837458606 0.12500000000000 0.37856987112822 178.490 > 1 2 Hf 0.15899837458606 0.37500000000000 0.37856987112822 178.490 > 1 3 Hf 0.15899837458606 0.62500000000000 0.37856987112822 178.490 > 1 4 Hf 0.15899837458606 0.87500000000000 0.37856987112822 178.490 > 1 5 Hf 0.84100162541394 0.12500000000000 0.62143012887178 178.490 > 2 6 Hf 0.84100162541394 0.37500000000000 0.62143012887178 178.490 > 2 7 Hf 0.84100162541394 0.62500000000000 0.62143012887178 178.490 > 2 8 Hf 0.84100162541394 0.87500000000000 0.62143012887178 178.490 > 2 *9 Hf 0.00000000000000 0.12500000000000 0.00000000000000 178.490 > 3 10 Hf 0.00000000000000 0.37500000000000 0.00000000000000 178.490 > 3 11 Hf 0.00000000000000 0.62500000000000 0.00000000000000 178.490 > 3 12 Hf 0.00000000000000 0.87500000000000 0.00000000000000 178.490 > 3 13 Hf 0.65899837458606 0.00000000000000 0.37856987112822 178.490 > 1 14 Hf 0.65899837458606 0.25000000000000 0.37856987112822 178.490 > 1 15 Hf 0.65899837458606 0.50000000000000 0.37856987112822 178.490 > 1 16 Hf 0.65899837458606 0.75000000000000 0.37856987112822 178.490 > 1 17 Hf 0.34100162541393 0.00000000000000 0.62143012887178 178.490 > 2 18 Hf 0.34100162541393 0.25000000000000 0.62143012887178 178.490 > 2 19 Hf 0.34100162541393 0.50000000000000 0.62143012887178 178.490 > 2 20 Hf 0.34100162541393 0.75000000000000 0.62143012887178 178.490 > 2 21 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 3 22 Hf 0.50000000000000 0.25000000000000 0.00000000000000 178.490 > 3 23 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 3 24 Hf 0.50000000000000 0.75000000000000 0.00000000000000 178.490 > 3 *25 Tl 0.83947172376864 0.12500000000000 0.20351789202511 204.383 > 4 26 Tl 0.83947172376864 0.37500000000000 0.20351789202511 204.383 > 4 27 Tl 0.83947172376864 0.62500000000000 0.20351789202511 204.383 > 4 28 Tl 0.83947172376864 0.87500000000000 0.20351789202511 204.383 > 4 29 Tl 0.16052827623135 0.12500000000000 0.79648210797489 204.383 > 5 30 Tl 0.16052827623135 0.37500000000000 0.79648210797489 204.383 > 5 31 Tl 0.16052827623135 0.62500000000000 0.79648210797489 204.383 > 5 32 Tl 0.16052827623135 0.87500000000000 0.79648210797489 204.383 > 5 33 Tl 0.33947172376864 0.00000000000000 0.20351789202511 204.383 > 4 34 Tl 0.33947172376864 0.25000000000000 0.20351789202511 204.383 > 4 35 Tl 0.33947172376864 0.50000000000000 0.20351789202511 204.383 > 4 36 Tl 0.33947172376864 0.75000000000000 0.20351789202511 204.383 > 4 37 Tl 0.66052827623136 0.00000000000000 0.79648210797489 204.383 > 5 38 Tl 0.66052827623136 0.25000000000000 0.79648210797489 204.383 > 5 39 Tl 0.66052827623136 0.50000000000000 0.79648210797489 204.383 > 5 40 Tl 0.66052827623136 0.75000000000000 0.79648210797489 204.383 > 5 *41 Cu 0.04664116222823 0.00000000000000 0.19704315891856 63.546 > 6 42 Cu 0.04664116222823 0.25000000000000 0.19704315891856 63.546 > 6 43 Cu 0.04664116222823 0.50000000000000 0.19704315891856 63.546 > 6 44 Cu 0.04664116222823 0.75000000000000 0.19704315891856 63.546 > 6 45 Cu 0.95335883777177 0.00000000000000 0.80295684108145 63.546 > 7 46 Cu 0.95335883777177 0.25000000000000 0.80295684108145 63.546 > 7 47 Cu 0.95335883777177 0.50000000000000 0.80295684108145 63.546 > 7 48 Cu 0.95335883777177 0.75000000000000 0.80295684108145 63.546 > 7 49 Cu 0.54664116222823 0.12500000000000 0.19704315891856 63.546 > 6 50 Cu 0.54664116222823 0.37500000000000 0.19704315891856 63.546 > 6 51 Cu 0.54664116222823 0.62500000000000 0.19704315891856 63.546 > 6 52 Cu 0.54664116222823 0.87500000000000 0.19704315891856 63.546 > 6 53 Cu 0.45335883777177 0.12500000000000 0.80295684108145 63.546 > 7 54 Cu 0.45335883777177 0.37500000000000 0.80295684108145 63.546 > 7 55 Cu 0.45335883777177 0.62500000000000 0.80295684108145 63.546 > 7 56 Cu 0.45335883777177 0.87500000000000 0.80295684108145 63.546 > 7 *57 Se 0.89216094655858 0.00000000000000 0.04392113828822 78.960 > 8 58 Se 0.89216094655858 0.25000000000000 0.04392113828822 78.960 > 8 59 Se 0.89216094655858 0.50000000000000 0.04392113828822 78.960 > 8 60 Se 0.89216094655858 0.75000000000000 0.04392113828822 78.960 > 8 *61 Se 0.02144977671454 0.00000000000000 0.35457358674978 78.960 > 9 62 Se 0.02144977671454 0.25000000000000 0.35457358674978 78.960 > 9 63 Se 0.02144977671454 0.50000000000000 0.35457358674978 78.960 > 9 64 Se 0.02144977671454 0.75000000000000 0.35457358674978 78.960 > 9 65 Se 0.97855022328546 0.00000000000000 0.64542641325022 78.960 > 10 66 Se 0.97855022328546 0.25000000000000 0.64542641325022 78.960 > 10 67 Se 0.97855022328546 0.50000000000000 0.64542641325022 78.960 > 10 68 Se 0.97855022328546 0.75000000000000 0.64542641325022 78.960 > 10 *69 Se 0.19809778650633 0.12500000000000 0.58007347839286 78.960 > 11 70 Se 0.19809778650633 0.37500000000000 0.58007347839286 78.960 > 11 71 Se 0.19809778650633 0.62500000000000 0.58007347839286 78.960 > 11 72 Se 0.19809778650633 0.87500000000000 0.58007347839286 78.960 > 11 73 Se 0.80190221349366 0.12500000000000 0.41992652160714 78.960 > 12 74 Se 0.80190221349366 0.37500000000000 0.41992652160714 78.960 > 12 75 Se 0.80190221349366 0.62500000000000 0.41992652160714 78.960 > 12 76 Se 0.80190221349366 0.87500000000000 0.41992652160714 78.960 > 12 *77 Se 0.35011821364536 0.00000000000000 0.81163157116741 78.960 > 13 78 Se 0.35011821364536 0.25000000000000 0.81163157116741 78.960 > 13 79 Se 0.35011821364536 0.50000000000000 0.81163157116741 78.960 > 13 80 Se 0.35011821364536 0.75000000000000 0.81163157116741 78.960 > 13 81 Se 0.64988178635464 0.00000000000000 0.18836842883259 78.960 > 14 82 Se 0.64988178635464 0.25000000000000 0.18836842883259 78.960 > 14 83 Se 0.64988178635464 0.50000000000000 0.18836842883259 78.960 > 14 84 Se 0.64988178635464 0.75000000000000 0.18836842883259 78.960 > 14 85 Se 0.10783905344142 0.00000000000000 0.95607886171178 78.960 > 15 86 Se 0.10783905344142 0.25000000000000 0.95607886171178 78.960 > 15 87 Se 0.10783905344142 0.50000000000000 0.95607886171178 78.960 > 15 88 Se 0.10783905344142 0.75000000000000 0.95607886171178 78.960 > 15 89 Se 0.39216094655858 0.12500000000000 0.04392113828822 78.960 > 8 90 Se 0.39216094655858 0.37500000000000 0.04392113828822 78.960 > 8 91 Se 0.39216094655858 0.62500000000000 0.04392113828822 78.960 > 8 92 Se 0.39216094655858 0.87500000000000 0.04392113828822 78.960 > 8 93 Se 0.52144977671454 0.12500000000000 0.35457358674978 78.960 > 9 94 Se 0.52144977671454 0.37500000000000 0.35457358674978 78.960 > 9 95 Se 0.52144977671454 0.62500000000000 0.35457358674978 78.960 > 9 96 Se 0.52144977671454 0.87500000000000 0.35457358674978 78.960 > 9 97 Se 0.47855022328546 0.12500000000000 0.64542641325022 78.960 > 10 98 Se 0.47855022328546 0.37500000000000 0.64542641325022 78.960 > 10 99 Se 0.47855022328546 0.62500000000000 0.64542641325022 78.960 > 10 100 Se 0.47855022328546 0.87500000000000 0.64542641325022 78.960 > 10 101 Se 0.69809778650634 0.00000000000000 0.58007347839286 78.960 > 11 102 Se 0.69809778650634 0.25000000000000 0.58007347839286 78.960 > 11 103 Se 0.69809778650634 0.50000000000000 0.58007347839286 78.960 > 11 104 Se 0.69809778650634 0.75000000000000 0.58007347839286 78.960 > 11 105 Se 0.30190221349366 0.00000000000000 0.41992652160714 78.960 > 12 106 Se 0.30190221349366 0.25000000000000 0.41992652160714 78.960 > 12 107 Se 0.30190221349366 0.50000000000000 0.41992652160714 78.960 > 12 108 Se 0.30190221349366 0.75000000000000 0.41992652160714 78.960 > 12 109 Se 0.85011821364536 0.12500000000000 0.81163157116741 78.960 > 13 110 Se 0.85011821364536 0.37500000000000 0.81163157116741 78.960 > 13 111 Se 0.85011821364536 0.62500000000000 0.81163157116741 78.960 > 13 112 Se 0.85011821364536 0.87500000000000 0.81163157116741 78.960 > 13 113 Se 0.14988178635464 0.12500000000000 0.18836842883259 78.960 > 14 114 Se 0.14988178635464 0.37500000000000 0.18836842883259 78.960 > 14 115 Se 0.14988178635464 0.62500000000000 0.18836842883259 78.960 > 14 116 Se 0.14988178635464 0.87500000000000 0.18836842883259 78.960 > 14 117 Se 0.60783905344142 0.12500000000000 0.95607886171178 78.960 > 15 118 Se 0.60783905344142 0.37500000000000 0.95607886171178 78.960 > 15 119 Se 0.60783905344142 0.62500000000000 0.95607886171178 78.960 > 15 120 Se 0.60783905344142 0.87500000000000 0.95607886171178 78.960 > 15----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.4436216 0.0000000 0.4934190 0.0000000 20.3298998 0.0000000 0.4933181 0.0000000 13.4970315-------------------------- Born effective charges -------------------------- 1 Hf 2.4925884 0.0000000 0.3362497 0.0000000 8.5974281 0.0000000 1.0310119 0.0000000 6.9909051 2 Hf 2.4925884 0.0000000 0.3362497 0.0000000 8.5974281 0.0000000 1.0310119 0.0000000 6.9909051 3 Hf 3.0426376 0.0000000 1.1040931 0.0000000 11.1483585 0.0000000 -0.0157345 0.0000000 7.6198395 4 Tl 3.3563554 0.0000000 -0.1359021 0.0000000 2.1294782 0.0000000 -0.2074320 0.0000000 1.9829698 5 Tl 3.3563554 0.0000000 -0.1359021 0.0000000 2.1294782 0.0000000 -0.2074320 0.0000000 1.9829698 6 Cu 0.2121034 0.0000000 -0.0279032 0.0000000 0.6761155 0.0000000 0.0424526 0.0000000 -0.4965808 7 Cu 0.2121034 0.0000000 -0.0279032 0.0000000 0.6761155 0.0000000 0.0424526 0.0000000 -0.4965808 8 Se -2.2790097 0.0000000 0.1367592 0.0000000 -6.7389477 0.0000000 0.9167504 0.0000000 -2.0511533 9 Se -2.0695042 0.0000000 -0.3459914 0.0000000 -5.0517252 0.0000000 -1.0042612 0.0000000 -1.6535155 10 Se -2.0695042 0.0000000 -0.3459914 0.0000000 -5.0517252 0.0000000 -1.0042612 0.0000000 -1.6535155 11 Se -1.5788900 0.0000000 -0.1888906 0.0000000 -4.3718352 0.0000000 -0.5304977 0.0000000 -3.7655110 12 Se -1.5788900 0.0000000 -0.1888906 0.0000000 -4.3718352 0.0000000 -0.5304977 0.0000000 -3.7655110 13 Se -1.6549622 0.0000000 -0.3263682 0.0000000 -0.8146929 0.0000000 -0.2401568 0.0000000 -4.8170342 14 Se -1.6549622 0.0000000 -0.3263682 0.0000000 -0.8146929 0.0000000 -0.2401568 0.0000000 -4.8170342 15 Se -2.2790097 0.0000000 0.1367592 0.0000000 -6.7389477 0.0000000 0.9167504 0.0000000 -2.0511533----------------------------------------------------------------------------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: 360/360Permutation basis: 9738/9738Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2197Number of blocks in projector: 2197Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 565Use submatrix version of eigh solver.(1) Block: 565 / 565 (2) Block: 250 / 565 (2) 235 eigenvectors found. (2) Block: 500 / 565 (2) 235 eigenvectors found. (2) Block: 565 / 565 (2) 57 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found.(1) 550 eigenvectors found.(1) Complementary block size: 14(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 320Use standard eigh solver.Tree of FC basis block matrices:- (2197, 2158), data: False|-- (320, 312), data: True|-- (320, 312), data: True|-- (320, 312), data: True|-- (336, 336), data: True|-- (336, 336), data: True|-- (565, 550), data: False |-- (565, 550), data: False |-- (565, 23), data: (565, 38) @ (38, 23) |-- (65, 57), data: True |-- (250, 235), data: True |-- (250, 235), data: True-----Solver_atoms: 1 -- 120 / 120Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 0.705Solver_block: 200 / 480 - Time: 0.601Solver_block: 300 / 480 - Time: 0.597Solver_block: 400 / 480 - Time: 0.599Solver_block: 480 / 480 - Time: 0.516Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.097--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360Permutation basis: 9738/9738Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2197Number of blocks in projector: 2197Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 565Use submatrix version of eigh solver.(1) Block: 565 / 565 (2) Block: 250 / 565 (2) 235 eigenvectors found. (2) Block: 500 / 565 (2) 235 eigenvectors found. (2) Block: 565 / 565 (2) 57 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found.(1) 550 eigenvectors found.(1) Complementary block size: 14(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 336Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 320Use standard eigh solver.Tree of FC basis block matrices:- (2197, 2158), data: False|-- (320, 312), data: True|-- (320, 312), data: True|-- (320, 312), data: True|-- (336, 336), data: True|-- (336, 336), data: True|-- (565, 550), data: False |-- (565, 550), data: False |-- (565, 23), data: (565, 38) @ (38, 23) |-- (65, 57), data: True |-- (250, 235), data: True |-- (250, 235), data: TrueMax 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 19:02:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 19:02:59]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 4 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.233848912228368 -1.882250664999999 0.000000000000000 b 7.233848912228368 1.882250664999999 0.000000000000000 c -5.729677162404773 0.000000000000000 12.942866864811563Atomic positions (fractional): 1 Hf 0.65899837458607 0.65899837458607 0.37856987112822 178.490 2 Hf 0.34100162541394 0.34100162541394 0.62143012887178 178.490 3 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 4 Tl 0.33947172376864 0.33947172376865 0.20351789202511 204.383 5 Tl 0.66052827623136 0.66052827623136 0.79648210797489 204.383 6 Cu 0.04664116222823 0.04664116222823 0.19704315891856 63.546 7 Cu 0.95335883777177 0.95335883777177 0.80295684108145 63.546 8 Se 0.89216094655858 0.89216094655858 0.04392113828822 78.960 9 Se 0.02144977671454 0.02144977671454 0.35457358674978 78.960 10 Se 0.97855022328546 0.97855022328546 0.64542641325022 78.960 11 Se 0.69809778650634 0.69809778650634 0.58007347839286 78.960 12 Se 0.30190221349366 0.30190221349367 0.41992652160714 78.960 13 Se 0.35011821364536 0.35011821364536 0.81163157116741 78.960 14 Se 0.64988178635464 0.64988178635464 0.18836842883259 78.960 15 Se 0.10783905344142 0.10783905344142 0.95607886171178 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 14.467697824456735 0.000000000000000 0.000000000000000 b 0.000000000000000 15.058005319999996 0.000000000000000 c -5.729677162404773 0.000000000000000 12.942866864811563Atomic positions (fractional): 1 Hf 0.15899837458606 0.12500000000000 0.37856987112822 178.490 > 1 2 Hf 0.15899837458606 0.37500000000000 0.37856987112822 178.490 > 1 3 Hf 0.15899837458606 0.62500000000000 0.37856987112822 178.490 > 1 4 Hf 0.15899837458606 0.87500000000000 0.37856987112822 178.490 > 1 5 Hf 0.84100162541394 0.12500000000000 0.62143012887178 178.490 > 5 6 Hf 0.84100162541394 0.37500000000000 0.62143012887178 178.490 > 5 7 Hf 0.84100162541394 0.62500000000000 0.62143012887178 178.490 > 5 8 Hf 0.84100162541394 0.87500000000000 0.62143012887178 178.490 > 5 9 Hf 0.00000000000000 0.12500000000000 0.00000000000000 178.490 > 9 10 Hf 0.00000000000000 0.37500000000000 0.00000000000000 178.490 > 9 11 Hf 0.00000000000000 0.62500000000000 0.00000000000000 178.490 > 9 12 Hf 0.00000000000000 0.87500000000000 0.00000000000000 178.490 > 9 13 Hf 0.65899837458606 0.00000000000000 0.37856987112822 178.490 > 1 14 Hf 0.65899837458606 0.25000000000000 0.37856987112822 178.490 > 1 15 Hf 0.65899837458606 0.50000000000000 0.37856987112822 178.490 > 1 16 Hf 0.65899837458606 0.75000000000000 0.37856987112822 178.490 > 1 17 Hf 0.34100162541393 0.00000000000000 0.62143012887178 178.490 > 5 18 Hf 0.34100162541393 0.25000000000000 0.62143012887178 178.490 > 5 19 Hf 0.34100162541393 0.50000000000000 0.62143012887178 178.490 > 5 20 Hf 0.34100162541393 0.75000000000000 0.62143012887178 178.490 > 5 21 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 9 22 Hf 0.50000000000000 0.25000000000000 0.00000000000000 178.490 > 9 23 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 9 24 Hf 0.50000000000000 0.75000000000000 0.00000000000000 178.490 > 9 25 Tl 0.83947172376864 0.12500000000000 0.20351789202511 204.383 > 25 26 Tl 0.83947172376864 0.37500000000000 0.20351789202511 204.383 > 25 27 Tl 0.83947172376864 0.62500000000000 0.20351789202511 204.383 > 25 28 Tl 0.83947172376864 0.87500000000000 0.20351789202511 204.383 > 25 29 Tl 0.16052827623135 0.12500000000000 0.79648210797489 204.383 > 29 30 Tl 0.16052827623135 0.37500000000000 0.79648210797489 204.383 > 29 31 Tl 0.16052827623135 0.62500000000000 0.79648210797489 204.383 > 29 32 Tl 0.16052827623135 0.87500000000000 0.79648210797489 204.383 > 29 33 Tl 0.33947172376864 0.00000000000000 0.20351789202511 204.383 > 25 34 Tl 0.33947172376864 0.25000000000000 0.20351789202511 204.383 > 25 35 Tl 0.33947172376864 0.50000000000000 0.20351789202511 204.383 > 25 36 Tl 0.33947172376864 0.75000000000000 0.20351789202511 204.383 > 25 37 Tl 0.66052827623136 0.00000000000000 0.79648210797489 204.383 > 29 38 Tl 0.66052827623136 0.25000000000000 0.79648210797489 204.383 > 29 39 Tl 0.66052827623136 0.50000000000000 0.79648210797489 204.383 > 29 40 Tl 0.66052827623136 0.75000000000000 0.79648210797489 204.383 > 29 41 Cu 0.04664116222823 0.00000000000000 0.19704315891856 63.546 > 41 42 Cu 0.04664116222823 0.25000000000000 0.19704315891856 63.546 > 41 43 Cu 0.04664116222823 0.50000000000000 0.19704315891856 63.546 > 41 44 Cu 0.04664116222823 0.75000000000000 0.19704315891856 63.546 > 41 45 Cu 0.95335883777177 0.00000000000000 0.80295684108145 63.546 > 45 46 Cu 0.95335883777177 0.25000000000000 0.80295684108145 63.546 > 45 47 Cu 0.95335883777177 0.50000000000000 0.80295684108145 63.546 > 45 48 Cu 0.95335883777177 0.75000000000000 0.80295684108145 63.546 > 45 49 Cu 0.54664116222823 0.12500000000000 0.19704315891856 63.546 > 41 50 Cu 0.54664116222823 0.37500000000000 0.19704315891856 63.546 > 41 51 Cu 0.54664116222823 0.62500000000000 0.19704315891856 63.546 > 41 52 Cu 0.54664116222823 0.87500000000000 0.19704315891856 63.546 > 41 53 Cu 0.45335883777177 0.12500000000000 0.80295684108145 63.546 > 45 54 Cu 0.45335883777177 0.37500000000000 0.80295684108145 63.546 > 45 55 Cu 0.45335883777177 0.62500000000000 0.80295684108145 63.546 > 45 56 Cu 0.45335883777177 0.87500000000000 0.80295684108145 63.546 > 45 57 Se 0.89216094655858 0.00000000000000 0.04392113828822 78.960 > 57 58 Se 0.89216094655858 0.25000000000000 0.04392113828822 78.960 > 57 59 Se 0.89216094655858 0.50000000000000 0.04392113828822 78.960 > 57 60 Se 0.89216094655858 0.75000000000000 0.04392113828822 78.960 > 57 61 Se 0.02144977671454 0.00000000000000 0.35457358674978 78.960 > 61 62 Se 0.02144977671454 0.25000000000000 0.35457358674978 78.960 > 61 63 Se 0.02144977671454 0.50000000000000 0.35457358674978 78.960 > 61 64 Se 0.02144977671454 0.75000000000000 0.35457358674978 78.960 > 61 65 Se 0.97855022328546 0.00000000000000 0.64542641325022 78.960 > 65 66 Se 0.97855022328546 0.25000000000000 0.64542641325022 78.960 > 65 67 Se 0.97855022328546 0.50000000000000 0.64542641325022 78.960 > 65 68 Se 0.97855022328546 0.75000000000000 0.64542641325022 78.960 > 65 69 Se 0.19809778650633 0.12500000000000 0.58007347839286 78.960 > 69 70 Se 0.19809778650633 0.37500000000000 0.58007347839286 78.960 > 69 71 Se 0.19809778650633 0.62500000000000 0.58007347839286 78.960 > 69 72 Se 0.19809778650633 0.87500000000000 0.58007347839286 78.960 > 69 73 Se 0.80190221349366 0.12500000000000 0.41992652160714 78.960 > 73 74 Se 0.80190221349366 0.37500000000000 0.41992652160714 78.960 > 73 75 Se 0.80190221349366 0.62500000000000 0.41992652160714 78.960 > 73 76 Se 0.80190221349366 0.87500000000000 0.41992652160714 78.960 > 73 77 Se 0.35011821364536 0.00000000000000 0.81163157116741 78.960 > 77 78 Se 0.35011821364536 0.25000000000000 0.81163157116741 78.960 > 77 79 Se 0.35011821364536 0.50000000000000 0.81163157116741 78.960 > 77 80 Se 0.35011821364536 0.75000000000000 0.81163157116741 78.960 > 77 81 Se 0.64988178635464 0.00000000000000 0.18836842883259 78.960 > 81 82 Se 0.64988178635464 0.25000000000000 0.18836842883259 78.960 > 81 83 Se 0.64988178635464 0.50000000000000 0.18836842883259 78.960 > 81 84 Se 0.64988178635464 0.75000000000000 0.18836842883259 78.960 > 81 85 Se 0.10783905344142 0.00000000000000 0.95607886171178 78.960 > 85 86 Se 0.10783905344142 0.25000000000000 0.95607886171178 78.960 > 85 87 Se 0.10783905344142 0.50000000000000 0.95607886171178 78.960 > 85 88 Se 0.10783905344142 0.75000000000000 0.95607886171178 78.960 > 85 89 Se 0.39216094655858 0.12500000000000 0.04392113828822 78.960 > 57 90 Se 0.39216094655858 0.37500000000000 0.04392113828822 78.960 > 57 91 Se 0.39216094655858 0.62500000000000 0.04392113828822 78.960 > 57 92 Se 0.39216094655858 0.87500000000000 0.04392113828822 78.960 > 57 93 Se 0.52144977671454 0.12500000000000 0.35457358674978 78.960 > 61 94 Se 0.52144977671454 0.37500000000000 0.35457358674978 78.960 > 61 95 Se 0.52144977671454 0.62500000000000 0.35457358674978 78.960 > 61 96 Se 0.52144977671454 0.87500000000000 0.35457358674978 78.960 > 61 97 Se 0.47855022328546 0.12500000000000 0.64542641325022 78.960 > 65 98 Se 0.47855022328546 0.37500000000000 0.64542641325022 78.960 > 65 99 Se 0.47855022328546 0.62500000000000 0.64542641325022 78.960 > 65 100 Se 0.47855022328546 0.87500000000000 0.64542641325022 78.960 > 65 101 Se 0.69809778650634 0.00000000000000 0.58007347839286 78.960 > 69 102 Se 0.69809778650634 0.25000000000000 0.58007347839286 78.960 > 69 103 Se 0.69809778650634 0.50000000000000 0.58007347839286 78.960 > 69 104 Se 0.69809778650634 0.75000000000000 0.58007347839286 78.960 > 69 105 Se 0.30190221349366 0.00000000000000 0.41992652160714 78.960 > 73 106 Se 0.30190221349366 0.25000000000000 0.41992652160714 78.960 > 73 107 Se 0.30190221349366 0.50000000000000 0.41992652160714 78.960 > 73 108 Se 0.30190221349366 0.75000000000000 0.41992652160714 78.960 > 73 109 Se 0.85011821364536 0.12500000000000 0.81163157116741 78.960 > 77 110 Se 0.85011821364536 0.37500000000000 0.81163157116741 78.960 > 77 111 Se 0.85011821364536 0.62500000000000 0.81163157116741 78.960 > 77 112 Se 0.85011821364536 0.87500000000000 0.81163157116741 78.960 > 77 113 Se 0.14988178635464 0.12500000000000 0.18836842883259 78.960 > 81 114 Se 0.14988178635464 0.37500000000000 0.18836842883259 78.960 > 81 115 Se 0.14988178635464 0.62500000000000 0.18836842883259 78.960 > 81 116 Se 0.14988178635464 0.87500000000000 0.18836842883259 78.960 > 81 117 Se 0.60783905344142 0.12500000000000 0.95607886171178 78.960 > 85 118 Se 0.60783905344142 0.37500000000000 0.95607886171178 78.960 > 85 119 Se 0.60783905344142 0.62500000000000 0.95607886171178 78.960 > 85 120 Se 0.60783905344142 0.87500000000000 0.95607886171178 78.960 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.4436216 0.0000000 0.4934190 0.0000000 20.3298998 0.0000000 0.4933181 0.0000000 13.4970315-------------------------- Born effective charges -------------------------- 1 Hf 2.4925884 0.0000000 0.3362497 0.0000000 8.5974281 0.0000000 1.0310119 0.0000000 6.9909051 2 Hf 2.4925884 0.0000000 0.3362497 0.0000000 8.5974281 0.0000000 1.0310119 0.0000000 6.9909051 3 Hf 3.0426376 0.0000000 1.1040931 0.0000000 11.1483585 0.0000000 -0.0157345 0.0000000 7.6198395 4 Tl 3.3563554 0.0000000 -0.1359021 0.0000000 2.1294782 0.0000000 -0.2074320 0.0000000 1.9829698 5 Tl 3.3563554 0.0000000 -0.1359021 0.0000000 2.1294782 0.0000000 -0.2074320 0.0000000 1.9829698 6 Cu 0.2121034 0.0000000 -0.0279032 0.0000000 0.6761155 0.0000000 0.0424526 0.0000000 -0.4965808 7 Cu 0.2121034 0.0000000 -0.0279032 0.0000000 0.6761155 0.0000000 0.0424526 0.0000000 -0.4965808 8 Se -2.2790097 0.0000000 0.1367592 0.0000000 -6.7389477 0.0000000 0.9167504 0.0000000 -2.0511533 9 Se -2.0695042 0.0000000 -0.3459914 0.0000000 -5.0517252 0.0000000 -1.0042612 0.0000000 -1.6535155 10 Se -2.0695042 0.0000000 -0.3459914 0.0000000 -5.0517252 0.0000000 -1.0042612 0.0000000 -1.6535155 11 Se -1.5788900 0.0000000 -0.1888906 0.0000000 -4.3718352 0.0000000 -0.5304977 0.0000000 -3.7655110 12 Se -1.5788900 0.0000000 -0.1888906 0.0000000 -4.3718352 0.0000000 -0.5304977 0.0000000 -3.7655110 13 Se -1.6549622 0.0000000 -0.3263682 0.0000000 -0.8146929 0.0000000 -0.2401568 0.0000000 -4.8170342 14 Se -1.6549622 0.0000000 -0.3263682 0.0000000 -0.8146929 0.0000000 -0.2401568 0.0000000 -4.8170342 15 Se -2.2790097 0.0000000 0.1367592 0.0000000 -6.7389477 0.0000000 0.9167504 0.0000000 -2.0511533----------------------------------------------------------------------------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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Computing fc3[ 9, 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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Computing fc3[ 41, 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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Computing fc3[ 57, 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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Computing fc3[ 69, 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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Computing fc3[ 77, 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] [-0.0040 0.0000 0.0091] [ 0.0040 0.0000 -0.0091]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 19:03:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 19:03:26]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 4 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.233848912228368 -1.882250664999999 0.000000000000000 b 7.233848912228368 1.882250664999999 0.000000000000000 c -5.729677162404773 0.000000000000000 12.942866864811563Atomic positions (fractional): 1 Hf 0.65899837458607 0.65899837458607 0.37856987112822 178.490 2 Hf 0.34100162541394 0.34100162541394 0.62143012887178 178.490 3 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 4 Tl 0.33947172376864 0.33947172376865 0.20351789202511 204.383 5 Tl 0.66052827623136 0.66052827623136 0.79648210797489 204.383 6 Cu 0.04664116222823 0.04664116222823 0.19704315891856 63.546 7 Cu 0.95335883777177 0.95335883777177 0.80295684108145 63.546 8 Se 0.89216094655858 0.89216094655858 0.04392113828822 78.960 9 Se 0.02144977671454 0.02144977671454 0.35457358674978 78.960 10 Se 0.97855022328546 0.97855022328546 0.64542641325022 78.960 11 Se 0.69809778650634 0.69809778650634 0.58007347839286 78.960 12 Se 0.30190221349366 0.30190221349367 0.41992652160714 78.960 13 Se 0.35011821364536 0.35011821364536 0.81163157116741 78.960 14 Se 0.64988178635464 0.64988178635464 0.18836842883259 78.960 15 Se 0.10783905344142 0.10783905344142 0.95607886171178 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 14.467697824456735 0.000000000000000 0.000000000000000 b 0.000000000000000 15.058005319999996 0.000000000000000 c -5.729677162404773 0.000000000000000 12.942866864811563Atomic positions (fractional): 1 Hf 0.15899837458606 0.12500000000000 0.37856987112822 178.490 > 1 2 Hf 0.15899837458606 0.37500000000000 0.37856987112822 178.490 > 1 3 Hf 0.15899837458606 0.62500000000000 0.37856987112822 178.490 > 1 4 Hf 0.15899837458606 0.87500000000000 0.37856987112822 178.490 > 1 5 Hf 0.84100162541394 0.12500000000000 0.62143012887178 178.490 > 5 6 Hf 0.84100162541394 0.37500000000000 0.62143012887178 178.490 > 5 7 Hf 0.84100162541394 0.62500000000000 0.62143012887178 178.490 > 5 8 Hf 0.84100162541394 0.87500000000000 0.62143012887178 178.490 > 5 9 Hf 0.00000000000000 0.12500000000000 0.00000000000000 178.490 > 9 10 Hf 0.00000000000000 0.37500000000000 0.00000000000000 178.490 > 9 11 Hf 0.00000000000000 0.62500000000000 0.00000000000000 178.490 > 9 12 Hf 0.00000000000000 0.87500000000000 0.00000000000000 178.490 > 9 13 Hf 0.65899837458606 0.00000000000000 0.37856987112822 178.490 > 1 14 Hf 0.65899837458606 0.25000000000000 0.37856987112822 178.490 > 1 15 Hf 0.65899837458606 0.50000000000000 0.37856987112822 178.490 > 1 16 Hf 0.65899837458606 0.75000000000000 0.37856987112822 178.490 > 1 17 Hf 0.34100162541393 0.00000000000000 0.62143012887178 178.490 > 5 18 Hf 0.34100162541393 0.25000000000000 0.62143012887178 178.490 > 5 19 Hf 0.34100162541393 0.50000000000000 0.62143012887178 178.490 > 5 20 Hf 0.34100162541393 0.75000000000000 0.62143012887178 178.490 > 5 21 Hf 0.50000000000000 0.00000000000000 0.00000000000000 178.490 > 9 22 Hf 0.50000000000000 0.25000000000000 0.00000000000000 178.490 > 9 23 Hf 0.50000000000000 0.50000000000000 0.00000000000000 178.490 > 9 24 Hf 0.50000000000000 0.75000000000000 0.00000000000000 178.490 > 9 25 Tl 0.83947172376864 0.12500000000000 0.20351789202511 204.383 > 25 26 Tl 0.83947172376864 0.37500000000000 0.20351789202511 204.383 > 25 27 Tl 0.83947172376864 0.62500000000000 0.20351789202511 204.383 > 25 28 Tl 0.83947172376864 0.87500000000000 0.20351789202511 204.383 > 25 29 Tl 0.16052827623135 0.12500000000000 0.79648210797489 204.383 > 29 30 Tl 0.16052827623135 0.37500000000000 0.79648210797489 204.383 > 29 31 Tl 0.16052827623135 0.62500000000000 0.79648210797489 204.383 > 29 32 Tl 0.16052827623135 0.87500000000000 0.79648210797489 204.383 > 29 33 Tl 0.33947172376864 0.00000000000000 0.20351789202511 204.383 > 25 34 Tl 0.33947172376864 0.25000000000000 0.20351789202511 204.383 > 25 35 Tl 0.33947172376864 0.50000000000000 0.20351789202511 204.383 > 25 36 Tl 0.33947172376864 0.75000000000000 0.20351789202511 204.383 > 25 37 Tl 0.66052827623136 0.00000000000000 0.79648210797489 204.383 > 29 38 Tl 0.66052827623136 0.25000000000000 0.79648210797489 204.383 > 29 39 Tl 0.66052827623136 0.50000000000000 0.79648210797489 204.383 > 29 40 Tl 0.66052827623136 0.75000000000000 0.79648210797489 204.383 > 29 41 Cu 0.04664116222823 0.00000000000000 0.19704315891856 63.546 > 41 42 Cu 0.04664116222823 0.25000000000000 0.19704315891856 63.546 > 41 43 Cu 0.04664116222823 0.50000000000000 0.19704315891856 63.546 > 41 44 Cu 0.04664116222823 0.75000000000000 0.19704315891856 63.546 > 41 45 Cu 0.95335883777177 0.00000000000000 0.80295684108145 63.546 > 45 46 Cu 0.95335883777177 0.25000000000000 0.80295684108145 63.546 > 45 47 Cu 0.95335883777177 0.50000000000000 0.80295684108145 63.546 > 45 48 Cu 0.95335883777177 0.75000000000000 0.80295684108145 63.546 > 45 49 Cu 0.54664116222823 0.12500000000000 0.19704315891856 63.546 > 41 50 Cu 0.54664116222823 0.37500000000000 0.19704315891856 63.546 > 41 51 Cu 0.54664116222823 0.62500000000000 0.19704315891856 63.546 > 41 52 Cu 0.54664116222823 0.87500000000000 0.19704315891856 63.546 > 41 53 Cu 0.45335883777177 0.12500000000000 0.80295684108145 63.546 > 45 54 Cu 0.45335883777177 0.37500000000000 0.80295684108145 63.546 > 45 55 Cu 0.45335883777177 0.62500000000000 0.80295684108145 63.546 > 45 56 Cu 0.45335883777177 0.87500000000000 0.80295684108145 63.546 > 45 57 Se 0.89216094655858 0.00000000000000 0.04392113828822 78.960 > 57 58 Se 0.89216094655858 0.25000000000000 0.04392113828822 78.960 > 57 59 Se 0.89216094655858 0.50000000000000 0.04392113828822 78.960 > 57 60 Se 0.89216094655858 0.75000000000000 0.04392113828822 78.960 > 57 61 Se 0.02144977671454 0.00000000000000 0.35457358674978 78.960 > 61 62 Se 0.02144977671454 0.25000000000000 0.35457358674978 78.960 > 61 63 Se 0.02144977671454 0.50000000000000 0.35457358674978 78.960 > 61 64 Se 0.02144977671454 0.75000000000000 0.35457358674978 78.960 > 61 65 Se 0.97855022328546 0.00000000000000 0.64542641325022 78.960 > 65 66 Se 0.97855022328546 0.25000000000000 0.64542641325022 78.960 > 65 67 Se 0.97855022328546 0.50000000000000 0.64542641325022 78.960 > 65 68 Se 0.97855022328546 0.75000000000000 0.64542641325022 78.960 > 65 69 Se 0.19809778650633 0.12500000000000 0.58007347839286 78.960 > 69 70 Se 0.19809778650633 0.37500000000000 0.58007347839286 78.960 > 69 71 Se 0.19809778650633 0.62500000000000 0.58007347839286 78.960 > 69 72 Se 0.19809778650633 0.87500000000000 0.58007347839286 78.960 > 69 73 Se 0.80190221349366 0.12500000000000 0.41992652160714 78.960 > 73 74 Se 0.80190221349366 0.37500000000000 0.41992652160714 78.960 > 73 75 Se 0.80190221349366 0.62500000000000 0.41992652160714 78.960 > 73 76 Se 0.80190221349366 0.87500000000000 0.41992652160714 78.960 > 73 77 Se 0.35011821364536 0.00000000000000 0.81163157116741 78.960 > 77 78 Se 0.35011821364536 0.25000000000000 0.81163157116741 78.960 > 77 79 Se 0.35011821364536 0.50000000000000 0.81163157116741 78.960 > 77 80 Se 0.35011821364536 0.75000000000000 0.81163157116741 78.960 > 77 81 Se 0.64988178635464 0.00000000000000 0.18836842883259 78.960 > 81 82 Se 0.64988178635464 0.25000000000000 0.18836842883259 78.960 > 81 83 Se 0.64988178635464 0.50000000000000 0.18836842883259 78.960 > 81 84 Se 0.64988178635464 0.75000000000000 0.18836842883259 78.960 > 81 85 Se 0.10783905344142 0.00000000000000 0.95607886171178 78.960 > 85 86 Se 0.10783905344142 0.25000000000000 0.95607886171178 78.960 > 85 87 Se 0.10783905344142 0.50000000000000 0.95607886171178 78.960 > 85 88 Se 0.10783905344142 0.75000000000000 0.95607886171178 78.960 > 85 89 Se 0.39216094655858 0.12500000000000 0.04392113828822 78.960 > 57 90 Se 0.39216094655858 0.37500000000000 0.04392113828822 78.960 > 57 91 Se 0.39216094655858 0.62500000000000 0.04392113828822 78.960 > 57 92 Se 0.39216094655858 0.87500000000000 0.04392113828822 78.960 > 57 93 Se 0.52144977671454 0.12500000000000 0.35457358674978 78.960 > 61 94 Se 0.52144977671454 0.37500000000000 0.35457358674978 78.960 > 61 95 Se 0.52144977671454 0.62500000000000 0.35457358674978 78.960 > 61 96 Se 0.52144977671454 0.87500000000000 0.35457358674978 78.960 > 61 97 Se 0.47855022328546 0.12500000000000 0.64542641325022 78.960 > 65 98 Se 0.47855022328546 0.37500000000000 0.64542641325022 78.960 > 65 99 Se 0.47855022328546 0.62500000000000 0.64542641325022 78.960 > 65 100 Se 0.47855022328546 0.87500000000000 0.64542641325022 78.960 > 65 101 Se 0.69809778650634 0.00000000000000 0.58007347839286 78.960 > 69 102 Se 0.69809778650634 0.25000000000000 0.58007347839286 78.960 > 69 103 Se 0.69809778650634 0.50000000000000 0.58007347839286 78.960 > 69 104 Se 0.69809778650634 0.75000000000000 0.58007347839286 78.960 > 69 105 Se 0.30190221349366 0.00000000000000 0.41992652160714 78.960 > 73 106 Se 0.30190221349366 0.25000000000000 0.41992652160714 78.960 > 73 107 Se 0.30190221349366 0.50000000000000 0.41992652160714 78.960 > 73 108 Se 0.30190221349366 0.75000000000000 0.41992652160714 78.960 > 73 109 Se 0.85011821364536 0.12500000000000 0.81163157116741 78.960 > 77 110 Se 0.85011821364536 0.37500000000000 0.81163157116741 78.960 > 77 111 Se 0.85011821364536 0.62500000000000 0.81163157116741 78.960 > 77 112 Se 0.85011821364536 0.87500000000000 0.81163157116741 78.960 > 77 113 Se 0.14988178635464 0.12500000000000 0.18836842883259 78.960 > 81 114 Se 0.14988178635464 0.37500000000000 0.18836842883259 78.960 > 81 115 Se 0.14988178635464 0.62500000000000 0.18836842883259 78.960 > 81 116 Se 0.14988178635464 0.87500000000000 0.18836842883259 78.960 > 81 117 Se 0.60783905344142 0.12500000000000 0.95607886171178 78.960 > 85 118 Se 0.60783905344142 0.37500000000000 0.95607886171178 78.960 > 85 119 Se 0.60783905344142 0.62500000000000 0.95607886171178 78.960 > 85 120 Se 0.60783905344142 0.87500000000000 0.95607886171178 78.960 > 85----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.4436216 0.0000000 0.4934190 0.0000000 20.3298998 0.0000000 0.4933181 0.0000000 13.4970315-------------------------- Born effective charges -------------------------- 1 Hf 2.4925884 0.0000000 0.3362497 0.0000000 8.5974281 0.0000000 1.0310119 0.0000000 6.9909051 2 Hf 2.4925884 0.0000000 0.3362497 0.0000000 8.5974281 0.0000000 1.0310119 0.0000000 6.9909051 3 Hf 3.0426376 0.0000000 1.1040931 0.0000000 11.1483585 0.0000000 -0.0157345 0.0000000 7.6198395 4 Tl 3.3563554 0.0000000 -0.1359021 0.0000000 2.1294782 0.0000000 -0.2074320 0.0000000 1.9829698 5 Tl 3.3563554 0.0000000 -0.1359021 0.0000000 2.1294782 0.0000000 -0.2074320 0.0000000 1.9829698 6 Cu 0.2121034 0.0000000 -0.0279032 0.0000000 0.6761155 0.0000000 0.0424526 0.0000000 -0.4965808 7 Cu 0.2121034 0.0000000 -0.0279032 0.0000000 0.6761155 0.0000000 0.0424526 0.0000000 -0.4965808 8 Se -2.2790097 0.0000000 0.1367592 0.0000000 -6.7389477 0.0000000 0.9167504 0.0000000 -2.0511533 9 Se -2.0695042 0.0000000 -0.3459914 0.0000000 -5.0517252 0.0000000 -1.0042612 0.0000000 -1.6535155 10 Se -2.0695042 0.0000000 -0.3459914 0.0000000 -5.0517252 0.0000000 -1.0042612 0.0000000 -1.6535155 11 Se -1.5788900 0.0000000 -0.1888906 0.0000000 -4.3718352 0.0000000 -0.5304977 0.0000000 -3.7655110 12 Se -1.5788900 0.0000000 -0.1888906 0.0000000 -4.3718352 0.0000000 -0.5304977 0.0000000 -3.7655110 13 Se -1.6549622 0.0000000 -0.3263682 0.0000000 -0.8146929 0.0000000 -0.2401568 0.0000000 -4.8170342 14 Se -1.6549622 0.0000000 -0.3263682 0.0000000 -0.8146929 0.0000000 -0.2401568 0.0000000 -4.8170342 15 Se -2.2790097 0.0000000 0.1367592 0.0000000 -6.7389477 0.0000000 0.9167504 0.0000000 -2.0511533----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 14 14 4 ]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: 0.59, Number of G-points: 311, Lambda: 0.23Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/219) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.451 ( 0.000 0.000 0.000) 0.000 0.834 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 0.000 0.000) 0.000 1.154 ( 0.000 0.000 0.000) 0.000 1.163 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.165 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.716 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.101 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.628 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/219) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.288 ( 2.388 -15.051 -0.111) 15.240 0.381 ( 0.471 -18.402 3.532) 18.744 0.712 ( 2.251 -30.683 1.845) 30.821 0.875 ( 0.743 -4.711 -0.469) 4.792 1.023 ( 0.406 -3.539 0.527) 3.601 1.047 ( 0.051 -5.043 -0.125) 5.045 1.119 ( -0.473 -0.938 -0.468) 1.150 1.248 ( -0.840 -10.048 0.228) 10.086 1.421 ( -0.045 -14.979 -0.178) 14.980 1.487 ( -1.130 -17.360 -0.326) 17.400 1.583 ( -0.130 1.887 0.074) 1.893 1.605 ( -0.769 1.625 -0.467) 1.857 1.760 ( 0.760 -8.900 1.021) 8.991 2.039 ( -1.293 -8.677 0.351) 8.780 2.057 ( 2.244 -4.822 0.485) 5.341 2.185 ( -0.371 -9.510 -0.332) 9.523 2.340 ( 0.341 -15.235 -0.070) 15.239 2.487 ( -0.525 -5.091 -5.649) 7.622 2.505 ( 0.186 -0.868 0.083) 0.891 2.561 ( 0.764 -23.158 4.222) 23.552 2.603 ( 0.028 -40.831 -0.270) 40.832 3.131 ( -1.433 -8.490 -4.794) 9.855 3.302 ( 0.876 0.182 4.426) 4.516 4.239 ( -0.516 -1.839 0.268) 1.928 4.320 ( -0.505 -2.038 -2.996) 3.659 4.344 ( 0.345 -1.553 -6.732) 6.917 4.380 ( -4.041 -4.470 -7.000) 9.237 4.767 ( -0.111 1.705 -0.402) 1.756 4.895 ( 1.599 1.252 -4.607) 5.035 4.903 ( -1.142 1.626 5.229) 5.594 5.072 ( -11.217 -2.302 0.833) 11.481 5.176 ( -4.779 -2.756 0.077) 5.517 5.215 ( 0.053 -2.401 -0.024) 2.402 5.231 ( 1.598 0.764 0.297) 1.796 5.424 ( -9.660 -1.084 10.559) 14.352 5.467 ( 3.132 2.850 -1.903) 4.643 5.576 ( -1.171 0.867 0.739) 1.633 5.694 ( -1.071 2.071 0.075) 2.332 5.719 ( 2.305 2.850 3.191) 4.860 6.038 ( -0.663 0.047 -0.702) 0.966 6.059 ( -0.030 3.554 -0.144) 3.557 6.290 ( -0.013 0.178 0.656) 0.680 6.445 ( 3.899 3.731 -2.341) 5.883 6.598 ( 2.760 3.421 0.533) 4.428 6.603 ( 0.165 2.511 -0.100) 2.519======================= Grid point 2 (3/219) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( 0.241 -15.968 0.270) 15.972 0.692 ( -0.307 -13.063 1.613) 13.165 0.931 ( 0.264 -2.934 -0.555) 2.997 1.103 ( -0.401 -7.775 -1.092) 7.862 1.120 ( 0.629 -3.170 -2.213) 3.917 1.159 ( 0.381 -5.507 -0.540) 5.546 1.170 ( 0.566 -8.560 6.037) 10.490 1.470 ( -4.038 -0.358 1.870) 4.465 1.575 ( 0.352 -5.920 -3.374) 6.823 1.601 ( 1.580 -14.076 1.229) 14.217 1.643 ( 1.714 -7.079 1.449) 7.426 1.869 ( -0.728 -19.799 -0.451) 19.818 2.015 ( 0.586 -13.124 0.716) 13.157 2.073 ( 1.918 -1.988 1.430) 3.111 2.277 ( -0.289 -6.880 1.121) 6.977 2.371 ( -2.107 -8.305 -2.234) 8.855 2.411 ( 0.811 -7.382 -1.666) 7.611 2.489 ( -0.114 -0.968 -1.138) 1.498 2.553 ( 2.288 -4.001 2.328) 5.164 2.948 ( -0.830 -5.772 -7.430) 9.446 3.268 ( 0.916 -4.125 5.609) 7.022 3.540 ( -0.123 -41.788 -0.092) 41.789 3.702 ( -1.328 -44.272 0.828) 44.300 4.281 ( 0.325 -2.367 0.021) 2.389 4.360 ( -0.132 -2.611 -0.006) 2.614 4.390 ( 1.619 -3.926 -0.335) 4.260 4.452 ( -1.998 -5.972 -3.853) 7.382 4.720 ( -0.216 2.907 -0.452) 2.950 4.861 ( 0.416 2.081 -1.276) 2.476 4.870 ( -0.528 2.599 3.431) 4.336 5.031 ( -2.423 2.480 -1.650) 3.840 5.131 ( 0.083 5.342 0.494) 5.366 5.274 ( -0.311 -3.859 0.232) 3.878 5.296 ( -0.264 -5.108 -0.247) 5.121 5.370 ( 0.410 5.229 0.022) 5.245 5.438 ( -2.647 0.373 0.958) 2.840 5.565 ( -2.479 -1.331 0.049) 2.814 5.648 ( -0.940 1.654 -0.176) 1.911 5.684 ( 0.500 2.135 2.631) 3.425 5.976 ( -0.294 3.422 -2.085) 4.018 6.050 ( -0.996 -1.099 0.684) 1.633 6.292 ( -0.308 -0.386 0.767) 0.912 6.364 ( 2.421 5.779 -1.301) 6.399 6.537 ( 0.786 3.632 0.136) 3.719 6.546 ( 0.237 3.291 -0.099) 3.301======================= Grid point 3 (4/219) =======================q-point: ( 0.21 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.843 ( -0.399 -6.583 1.120) 6.689 0.889 ( -2.836 -9.789 -1.598) 10.316 0.968 ( 0.730 -3.630 1.260) 3.911 1.166 ( -0.331 -2.229 -0.503) 2.309 1.223 ( -1.368 -4.127 0.068) 4.349 1.272 ( -0.715 -6.511 -2.641) 7.063 1.328 ( -0.805 -7.737 5.028) 9.262 1.448 ( 1.842 -0.186 0.547) 1.930 1.625 ( -0.029 -4.311 -3.903) 5.815 1.750 ( 0.784 -4.759 3.415) 5.910 1.985 ( 1.423 -15.050 2.410) 15.308 2.101 ( 0.734 -2.888 1.036) 3.155 2.180 ( 0.384 -9.928 -1.136) 10.000 2.184 ( -0.315 -1.703 -3.086) 3.539 2.335 ( 1.155 -4.078 5.684) 7.090 2.461 ( 0.049 -4.139 -0.765) 4.209 2.587 ( -1.627 -7.965 -2.815) 8.603 2.607 ( -1.497 -11.123 -1.933) 11.389 2.712 ( 1.990 -10.045 2.221) 10.478 2.982 ( -1.465 -2.050 -9.048) 9.393 3.309 ( 0.963 -0.457 7.095) 7.175 4.145 ( 0.555 -17.906 -0.447) 17.920 4.324 ( 0.240 -4.421 0.502) 4.456 4.387 ( -1.334 -12.701 -0.412) 12.777 4.447 ( 0.390 -15.166 0.400) 15.176 4.486 ( 0.875 -4.860 0.679) 4.985 4.581 ( 0.478 -7.085 -0.658) 7.132 4.657 ( -0.236 3.075 -0.582) 3.138 4.801 ( 0.193 3.455 1.296) 3.695 4.834 ( -0.083 0.800 0.846) 1.167 4.970 ( -0.732 1.752 -1.791) 2.610 5.042 ( 1.236 3.338 1.954) 4.060 5.270 ( 0.917 4.159 -1.011) 4.377 5.349 ( -0.714 -2.743 -1.763) 3.338 5.371 ( 0.373 -2.755 0.912) 2.926 5.428 ( 0.228 -0.981 1.590) 1.882 5.604 ( -1.347 0.038 -1.370) 1.922 5.619 ( -0.738 -2.288 -1.519) 2.844 5.674 ( -0.904 -0.891 3.040) 3.294 5.935 ( -0.488 -0.257 -2.627) 2.685 6.076 ( -1.435 -2.048 0.878) 2.651 6.239 ( 0.784 6.500 -0.816) 6.598 6.316 ( 0.058 -0.602 0.481) 0.773 6.480 ( 0.097 2.419 -0.083) 2.422 6.492 ( 0.214 2.223 -0.048) 2.234======================= Grid point 4 (5/219) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( -0.063 -0.975 0.768) 1.243 0.927 ( 0.583 0.305 -0.940) 1.148 1.154 ( -2.570 -9.606 0.305) 9.949 1.196 ( -0.742 -2.081 0.508) 2.267 1.252 ( -3.465 -1.380 -0.283) 3.741 1.344 ( -1.104 -2.536 0.213) 2.774 1.485 ( 2.822 -6.365 -0.578) 6.987 1.532 ( 1.031 -7.214 2.766) 7.795 1.716 ( 0.389 -5.645 -4.300) 7.107 1.831 ( 0.219 -2.466 4.246) 4.915 2.119 ( -1.115 -0.605 -1.990) 2.360 2.138 ( 0.103 2.710 0.924) 2.865 2.198 ( 0.613 -3.723 1.876) 4.214 2.260 ( 0.350 -0.578 -2.036) 2.145 2.445 ( 0.346 -4.278 5.409) 6.905 2.609 ( -0.027 -10.238 -0.147) 10.239 2.682 ( -0.334 -2.799 -1.399) 3.147 2.794 ( -1.975 -9.658 -4.367) 10.782 2.898 ( 0.242 -7.607 -0.225) 7.614 2.996 ( -1.510 -2.527 -4.649) 5.503 3.333 ( 0.504 -0.220 6.203) 6.227 4.326 ( 1.599 -4.213 -0.056) 4.507 4.396 ( 0.107 -3.236 1.027) 3.397 4.459 ( -0.390 -1.524 -0.107) 1.577 4.498 ( -0.250 1.788 0.138) 1.811 4.577 ( -0.413 2.581 0.293) 2.630 4.599 ( -0.009 1.060 -0.214) 1.082 4.720 ( -0.252 -3.422 0.163) 3.436 4.796 ( 0.296 -0.693 0.022) 0.754 4.842 ( 0.646 0.278 -0.525) 0.877 4.991 ( -0.392 -2.902 -0.533) 2.976 5.056 ( 1.582 -4.204 2.322) 5.056 5.228 ( 1.051 0.851 -0.900) 1.624 5.351 ( 1.112 0.393 -1.085) 1.602 5.401 ( -0.590 0.110 1.451) 1.570 5.501 ( 0.767 -4.053 -0.072) 4.126 5.558 ( 0.522 2.603 0.555) 2.712 5.667 ( 0.220 -1.505 -4.392) 4.648 5.729 ( -1.035 -4.141 3.482) 5.509 5.962 ( -0.441 -2.107 -3.046) 3.729 6.109 ( -1.140 -1.426 0.023) 1.826 6.129 ( -0.242 4.131 1.299) 4.337 6.315 ( 0.094 1.094 -0.565) 1.235 6.449 ( -0.130 0.885 0.238) 0.925 6.471 ( -0.049 -0.001 -0.036) 0.061======================= Grid point 5 (6/219) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 0.515 0.689 0.611) 1.056 0.922 ( 1.461 0.494 -0.736) 1.709 1.195 ( -0.321 -0.294 -0.418) 0.604 1.234 ( 0.089 0.636 0.092) 0.649 1.330 ( -3.253 -6.201 0.389) 7.013 1.396 ( -1.105 -4.462 1.020) 4.709 1.607 ( 2.520 -5.164 -0.114) 5.747 1.674 ( -0.284 -6.012 0.938) 6.091 1.805 ( -0.261 -3.987 -3.135) 5.079 1.862 ( -0.207 -0.122 3.379) 3.388 2.051 ( -1.773 3.230 -2.390) 4.392 2.121 ( -0.345 1.732 1.555) 2.353 2.200 ( -0.039 2.703 0.580) 2.764 2.269 ( 0.283 -0.703 -0.413) 0.863 2.523 ( -0.712 -2.962 2.758) 4.109 2.685 ( -0.903 0.880 -0.171) 1.272 2.788 ( -0.321 -7.257 0.039) 7.264 2.920 ( -1.287 -4.988 -5.213) 7.328 2.982 ( -0.499 -4.109 -5.152) 6.609 3.074 ( -0.481 -4.961 4.063) 6.431 3.350 ( 0.275 -0.157 4.322) 4.334 4.378 ( 0.775 -0.177 -0.312) 0.854 4.395 ( 0.788 3.050 0.223) 3.158 4.443 ( 1.276 0.456 2.063) 2.469 4.500 ( -0.102 -1.236 -0.147) 1.249 4.562 ( -1.594 -1.920 -0.925) 2.662 4.616 ( -0.921 -2.050 1.066) 2.487 4.740 ( -0.263 -0.157 0.279) 0.414 4.802 ( -0.025 -0.339 -0.859) 0.924 4.830 ( 0.314 0.341 -0.865) 0.982 5.034 ( -0.282 -2.200 -0.351) 2.245 5.123 ( 1.668 -0.179 1.902) 2.536 5.221 ( 0.386 0.386 -1.406) 1.508 5.361 ( 1.923 -0.733 -0.303) 2.080 5.384 ( 0.017 1.866 3.202) 3.706 5.526 ( 0.620 0.616 -0.541) 1.028 5.557 ( 0.303 -1.865 -1.164) 2.219 5.668 ( 0.060 0.582 -4.235) 4.275 5.792 ( 0.341 -1.366 3.040) 3.350 5.948 ( -0.015 2.172 -2.111) 3.029 6.075 ( -0.216 2.202 1.107) 2.474 6.134 ( -1.022 -0.960 0.254) 1.425 6.279 ( 0.071 2.246 -0.759) 2.372 6.443 ( -0.165 -0.113 -0.020) 0.201 6.476 ( -0.117 -0.114 0.260) 0.307======================= Grid point 6 (7/219) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( 0.670 1.298 0.258) 1.483 0.920 ( 1.081 0.234 -0.408) 1.179 1.195 ( -0.222 0.023 -0.237) 0.325 1.213 ( 0.395 1.405 0.056) 1.461 1.414 ( 0.524 -3.964 0.880) 4.095 1.498 ( -0.516 -5.497 0.644) 5.559 1.675 ( -0.429 -0.052 -0.788) 0.898 1.740 ( -0.698 -1.703 0.273) 1.861 1.825 ( -1.005 0.126 -1.352) 1.689 1.879 ( 0.331 -1.187 0.565) 1.355 2.004 ( -1.437 0.441 -0.848) 1.726 2.077 ( 0.530 2.954 2.148) 3.691 2.151 ( -0.100 1.758 0.118) 1.765 2.281 ( -0.095 -0.686 -0.499) 0.853 2.557 ( -0.558 -0.790 0.010) 0.967 2.653 ( -1.158 1.718 0.895) 2.257 2.888 ( -0.283 -3.899 1.643) 4.240 2.961 ( -0.908 -1.782 -4.345) 4.784 3.062 ( -0.585 -4.642 -4.022) 6.169 3.151 ( 0.329 -1.930 4.043) 4.492 3.361 ( 0.131 -0.183 2.147) 2.158 4.346 ( 0.396 1.814 0.064) 1.858 4.354 ( 0.257 1.700 -0.024) 1.720 4.483 ( 1.208 -2.109 1.942) 3.111 4.517 ( 0.316 -0.662 -0.308) 0.795 4.599 ( -1.511 -2.223 -1.338) 3.002 4.650 ( -0.673 -1.480 1.181) 2.010 4.737 ( -0.037 0.326 -0.025) 0.329 4.800 ( -0.305 0.454 -0.635) 0.838 4.851 ( -0.201 -2.790 -0.918) 2.944 5.041 ( 0.448 2.345 -0.428) 2.425 5.128 ( 1.034 -0.652 1.768) 2.150 5.213 ( -0.579 -0.221 -1.764) 1.870 5.333 ( 0.516 3.419 2.892) 4.508 5.409 ( 2.063 -2.591 0.719) 3.389 5.528 ( -0.230 0.088 -0.753) 0.793 5.594 ( 0.125 -2.616 0.451) 2.657 5.631 ( 0.083 1.592 -4.886) 5.140 5.778 ( 0.396 3.878 1.070) 4.042 5.916 ( 0.295 0.425 0.487) 0.710 6.020 ( -0.220 3.263 0.420) 3.297 6.144 ( -0.619 -0.533 -0.084) 0.821 6.237 ( -0.008 1.843 -0.387) 1.883 6.446 ( -0.130 -0.272 -0.214) 0.370 6.472 ( -0.053 0.463 0.343) 0.578======================= Grid point 7 (8/219) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 0.000 -0.000 0.000) 0.000 0.920 ( 0.000 -0.000 0.000) 0.000 1.193 ( 0.000 -0.000 0.000) 0.000 1.199 ( 0.000 -0.000 -0.000) 0.000 1.467 ( 0.000 0.000 -0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 -0.000 -0.000) 0.000 1.773 ( 0.000 -0.000 0.000) 0.000 1.807 ( 0.000 -0.000 -0.000) 0.000 1.893 ( 0.000 -0.000 0.000) 0.000 2.001 ( 0.000 -0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 -0.000 0.000) 0.000 2.288 ( 0.000 -0.000 -0.000) 0.000 2.562 ( 0.000 -0.000 0.000) 0.000 2.628 ( 0.000 -0.000 0.000) 0.000 2.940 ( 0.000 -0.000 -0.000) 0.000 2.962 ( 0.000 -0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 -0.000 -0.000) 0.000 3.366 ( 0.000 -0.000 0.000) 0.000 4.332 ( 0.000 0.000 -0.000) 0.000 4.336 ( -0.000 -0.000 0.000) 0.000 4.514 ( 0.000 -0.000 0.000) 0.000 4.524 ( 0.000 0.000 -0.000) 0.000 4.613 ( 0.000 -0.000 -0.000) 0.000 4.666 ( 0.000 -0.000 0.000) 0.000 4.733 ( 0.000 -0.000 0.000) 0.000 4.790 ( 0.000 -0.000 -0.000) 0.000 4.895 ( 0.000 -0.000 0.000) 0.000 4.996 ( 0.000 -0.000 -0.000) 0.000 5.147 ( 0.000 -0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 -0.000 0.000) 0.000 5.473 ( 0.000 -0.000 0.000) 0.000 5.490 ( -0.000 0.000 -0.000) 0.000 5.611 ( -0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 -0.000) 0.000 5.689 ( 0.000 -0.000 0.000) 0.000 5.923 ( 0.000 -0.000 -0.000) 0.000 5.979 ( 0.000 -0.000 -0.000) 0.000 6.147 ( 0.000 -0.000 0.000) 0.000 6.217 ( 0.000 -0.000 0.000) 0.000 6.449 ( 0.000 -0.000 0.000) 0.000 6.466 ( 0.000 -0.000 -0.000) 0.000======================= Grid point 16 (9/219) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.148 ( 12.427 0.000 5.700) 13.672 0.181 ( 13.662 0.000 10.040) 16.954 0.195 ( 10.039 0.000 20.524) 22.847 0.448 ( -0.486 -0.000 -0.275) 0.559 0.836 ( 1.659 0.000 -2.201) 2.756 0.974 ( 0.200 0.000 -1.700) 1.712 1.017 ( 1.324 0.000 1.521) 2.016 1.140 ( -1.707 -0.000 -1.017) 1.987 1.167 ( 0.146 0.000 0.331) 0.362 1.290 ( -1.804 -0.000 0.536) 1.882 1.458 ( 1.173 0.000 -0.045) 1.174 1.628 ( -3.739 -0.000 0.876) 3.841 1.694 ( 0.545 0.000 2.183) 2.250 1.749 ( 10.688 0.000 -27.188) 29.213 1.928 ( 0.258 0.000 0.698) 0.744 2.063 ( -0.185 -0.000 -0.319) 0.369 2.165 ( 0.039 0.000 0.101) 0.109 2.368 ( -0.078 -0.000 -2.340) 2.342 2.445 ( -0.677 -0.000 -0.274) 0.730 2.528 ( 1.878 0.000 0.923) 2.093 2.606 ( 0.162 0.000 -0.030) 0.165 2.638 ( -12.317 -0.000 28.757) 31.284 3.068 ( -1.692 -0.000 -4.379) 4.695 3.360 ( -0.509 -0.000 7.462) 7.479 4.222 ( -0.047 -0.000 -0.001) 0.047 4.315 ( -0.070 -0.000 0.015) 0.071 4.352 ( -0.196 -0.000 -0.015) 0.196 4.726 ( -28.767 -0.000 60.865) 67.320 4.786 ( -2.562 -0.000 6.372) 6.867 4.910 ( 0.058 0.000 -0.627) 0.630 4.933 ( -4.040 -0.000 14.613) 15.161 5.160 ( -0.007 -0.000 -0.359) 0.359 5.190 ( -0.153 -0.000 0.029) 0.156 5.211 ( -0.126 -0.000 -0.033) 0.130 5.396 ( -8.578 -0.000 20.145) 21.895 5.516 ( -1.307 -0.000 2.457) 2.783 5.585 ( -0.661 -0.000 0.227) 0.699 5.715 ( -0.274 -0.000 0.074) 0.283 5.795 ( -6.070 -0.000 12.222) 13.646 6.039 ( 0.140 0.000 -0.500) 0.519 6.095 ( -0.713 -0.000 -1.317) 1.497 6.303 ( 0.936 0.000 2.810) 2.961 6.516 ( 3.014 0.000 -6.537) 7.198 6.629 ( 0.123 0.000 -0.039) 0.129 6.799 ( 5.709 0.000 -12.678) 13.904======================= Grid point 17 (10/219) =======================q-point: ( 0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.330 ( 6.466 -11.602 -0.783) 13.305 0.422 ( 1.711 -15.128 9.973) 18.200 0.761 ( 4.624 -24.921 2.656) 25.486 0.890 ( 2.647 -6.776 0.270) 7.279 1.031 ( 0.521 -4.776 -0.162) 4.807 1.051 ( 0.849 -3.654 0.903) 3.858 1.109 ( -0.993 -3.239 0.020) 3.388 1.233 ( -2.498 -9.926 0.746) 10.263 1.418 ( -0.248 -15.634 -0.571) 15.646 1.465 ( -2.605 -16.513 -0.929) 16.743 1.573 ( -3.052 1.378 1.532) 3.683 1.594 ( 0.714 -1.060 -3.070) 3.326 1.783 ( 1.992 -8.086 3.109) 8.889 2.033 ( -0.489 -12.068 0.892) 12.111 2.085 ( 2.562 -3.170 1.150) 4.235 2.178 ( -0.474 -10.202 -0.766) 10.242 2.344 ( 0.552 -13.167 -0.517) 13.189 2.449 ( -0.780 -14.504 -7.818) 16.495 2.502 ( 0.325 -3.500 -2.104) 4.097 2.595 ( 0.877 -15.020 4.704) 15.764 2.602 ( 0.626 -36.842 0.497) 36.851 3.075 ( -3.126 -9.239 -8.687) 13.061 3.344 ( 1.584 -0.409 7.837) 8.006 4.116 ( -17.263 -28.877 -31.552) 46.124 4.249 ( 0.686 -3.259 -3.079) 4.536 4.327 ( -0.131 -1.338 -0.213) 1.361 4.363 ( 0.113 -1.349 0.956) 1.657 4.759 ( -0.915 1.247 -1.207) 1.962 4.887 ( -1.554 -2.214 -3.983) 4.814 4.906 ( -4.606 -2.637 0.597) 5.341 4.940 ( -13.561 -3.919 21.993) 26.134 5.155 ( -0.947 0.005 0.563) 1.102 5.215 ( 0.021 -2.515 0.094) 2.517 5.239 ( 0.391 -1.608 -0.539) 1.740 5.395 ( -5.796 -0.257 10.553) 12.043 5.476 ( 0.475 3.728 -0.674) 3.818 5.568 ( -1.184 1.206 1.078) 2.005 5.688 ( -0.687 2.389 0.452) 2.527 5.744 ( -1.027 3.417 4.651) 5.862 6.026 ( -0.337 1.317 -2.220) 2.603 6.054 ( -0.443 2.473 -0.764) 2.626 6.302 ( 1.069 0.887 2.781) 3.109 6.472 ( 3.501 4.145 -3.557) 6.488 6.604 ( 0.229 2.470 -0.202) 2.488 6.644 ( 5.438 7.278 -0.752) 9.116======================= Grid point 18 (11/219) =======================q-point: ( 0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.596 ( 0.443 -14.061 0.217) 14.069 0.703 ( 0.264 -11.470 3.707) 12.057 0.931 ( 0.365 -3.167 -0.828) 3.294 1.099 ( 0.608 -6.550 -1.580) 6.765 1.114 ( -0.390 -2.907 -0.799) 3.040 1.158 ( 0.123 -5.478 -0.910) 5.555 1.208 ( 0.800 -7.117 6.934) 9.969 1.436 ( -4.640 -3.735 2.762) 6.566 1.555 ( -1.093 -2.366 -3.455) 4.328 1.630 ( 2.239 -13.230 2.003) 13.567 1.672 ( 3.199 -11.729 0.458) 12.166 1.860 ( -0.639 -19.077 -0.292) 19.090 2.028 ( 1.083 -12.514 1.560) 12.657 2.106 ( 2.903 -1.415 2.403) 4.026 2.280 ( -0.500 -8.139 1.892) 8.371 2.341 ( -1.472 -7.491 -3.021) 8.210 2.403 ( -0.160 -6.992 -3.451) 7.799 2.482 ( 0.197 -0.808 -2.127) 2.284 2.592 ( 2.833 -3.979 3.127) 5.800 2.896 ( -1.170 -4.785 -10.816) 11.885 3.310 ( 1.374 -5.810 7.612) 9.674 3.538 ( -0.189 -41.766 -0.110) 41.767 3.688 ( -2.373 -43.795 1.509) 43.885 4.284 ( 0.255 -3.410 -0.290) 3.432 4.358 ( -0.300 -3.221 -0.497) 3.273 4.395 ( -0.881 -10.534 -7.728) 13.095 4.417 ( 0.296 -3.987 0.925) 4.103 4.714 ( -0.516 2.742 -0.824) 2.909 4.860 ( 0.123 2.000 -0.396) 2.043 4.882 ( -0.313 2.985 3.522) 4.627 4.985 ( -5.392 -0.769 -1.122) 5.561 5.133 ( -0.063 3.289 0.543) 3.335 5.272 ( -0.455 -3.415 0.789) 3.534 5.291 ( -0.358 -4.784 -0.355) 4.810 5.375 ( 0.825 5.090 -0.537) 5.185 5.411 ( -3.954 -0.805 2.749) 4.883 5.545 ( -1.764 0.109 0.938) 2.001 5.639 ( -0.880 1.718 0.261) 1.947 5.693 ( -0.801 2.166 2.261) 3.232 5.961 ( -0.178 3.272 -3.631) 4.891 6.042 ( -1.148 -0.766 0.772) 1.581 6.298 ( 0.377 0.392 1.890) 1.967 6.382 ( 2.573 6.113 -2.117) 6.962 6.546 ( 0.755 3.838 -0.751) 3.983 6.550 ( 0.929 4.142 0.501) 4.275======================= Grid point 19 (12/219) =======================q-point: ( 0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -2.658 -9.320 0.865) 9.730 0.863 ( -1.065 -6.216 0.113) 6.308 0.978 ( 0.228 -3.341 1.168) 3.546 1.156 ( -1.066 -2.509 -0.841) 2.852 1.211 ( -1.244 -3.161 0.239) 3.405 1.252 ( -1.019 -5.570 -2.661) 6.257 1.344 ( -0.653 -7.435 6.162) 9.678 1.470 ( 2.036 -2.418 0.561) 3.211 1.609 ( 0.241 -4.664 -3.816) 6.031 1.771 ( 0.737 -4.892 2.590) 5.584 2.013 ( 1.741 -13.028 2.938) 13.468 2.116 ( 1.214 -4.009 1.339) 4.398 2.163 ( 0.402 -5.220 -4.014) 6.598 2.190 ( 0.588 -4.325 1.615) 4.654 2.366 ( 0.237 -4.562 4.647) 6.517 2.463 ( 0.786 -5.262 0.039) 5.321 2.553 ( -1.551 -9.269 -4.591) 10.459 2.586 ( -1.462 -9.393 -1.711) 9.659 2.737 ( 1.259 -8.756 1.783) 9.024 2.922 ( -1.789 -2.600 -10.364) 10.834 3.352 ( 1.086 0.075 7.652) 7.729 4.149 ( 0.813 -18.171 -0.566) 18.198 4.330 ( 0.337 -7.189 0.934) 7.257 4.372 ( -1.410 -11.156 -0.217) 11.247 4.454 ( 0.590 -14.232 0.548) 14.255 4.496 ( 0.631 -4.437 0.220) 4.487 4.585 ( 0.973 -7.481 -0.825) 7.589 4.651 ( -0.410 3.118 -0.841) 3.256 4.810 ( 0.130 2.934 1.815) 3.452 4.837 ( -0.164 0.740 1.215) 1.432 4.951 ( -1.233 0.743 -2.326) 2.736 5.065 ( 1.533 3.020 2.233) 4.057 5.273 ( 0.780 3.881 -1.950) 4.413 5.334 ( -0.919 -2.717 -0.938) 3.018 5.382 ( 1.017 -2.629 0.779) 2.925 5.436 ( -0.149 -2.613 1.844) 3.202 5.575 ( -2.479 -4.199 -1.495) 5.100 5.614 ( 0.046 0.935 -0.280) 0.977 5.676 ( -1.190 -0.762 2.586) 2.947 5.916 ( -0.335 -0.126 -3.570) 3.587 6.064 ( -1.766 -2.014 0.895) 2.825 6.244 ( 1.033 6.693 -1.063) 6.855 6.318 ( -0.128 -0.015 0.600) 0.613 6.481 ( 0.169 2.603 -0.141) 2.612 6.494 ( 0.260 2.367 -0.097) 2.383======================= Grid point 20 (13/219) =======================q-point: ( 0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( -0.104 -1.260 1.174) 1.725 0.928 ( 0.581 -0.872 -1.230) 1.616 1.123 ( -4.374 -10.397 1.917) 11.441 1.183 ( -1.939 -1.396 0.183) 2.396 1.232 ( -0.729 -0.641 -0.080) 0.974 1.331 ( -1.226 -3.812 -1.358) 4.229 1.508 ( 1.784 -7.212 1.610) 7.602 1.557 ( 1.731 -5.488 1.822) 6.036 1.704 ( 0.857 -5.489 -3.699) 6.674 1.849 ( -0.045 -2.377 3.398) 4.148 2.097 ( -1.054 1.662 -2.493) 3.176 2.139 ( -0.441 1.188 0.147) 1.276 2.222 ( 1.360 -2.340 3.323) 4.286 2.256 ( 0.323 -0.740 -0.782) 1.124 2.469 ( -0.405 -3.708 5.106) 6.323 2.611 ( 0.394 -9.632 0.373) 9.648 2.669 ( -0.527 -3.156 -2.934) 4.341 2.756 ( -1.846 -9.791 -4.353) 10.873 2.888 ( -0.579 -5.575 -3.455) 6.584 2.965 ( -1.592 -5.470 -2.070) 6.061 3.367 ( 0.591 0.361 6.444) 6.482 4.342 ( 1.668 -4.534 -0.306) 4.841 4.402 ( 0.106 -3.105 1.119) 3.302 4.454 ( -0.490 -2.505 0.219) 2.562 4.496 ( -0.161 2.185 0.161) 2.197 4.575 ( -0.282 3.145 0.404) 3.184 4.597 ( -0.078 1.337 -0.368) 1.389 4.719 ( -0.274 -3.581 0.317) 3.606 4.800 ( 0.486 -0.047 0.202) 0.528 4.844 ( 0.482 0.539 -1.132) 1.343 4.986 ( -0.221 -3.458 -0.424) 3.491 5.084 ( 1.681 -3.846 2.888) 5.095 5.232 ( 0.760 0.863 -1.835) 2.165 5.356 ( 0.944 -0.649 -1.181) 1.645 5.410 ( 0.641 0.070 2.515) 2.597 5.508 ( 0.636 -3.240 -0.240) 3.310 5.565 ( 0.534 2.487 0.446) 2.582 5.650 ( 0.115 -2.008 -3.982) 4.461 5.736 ( -0.722 -4.826 3.727) 6.140 5.943 ( -0.334 -2.344 -3.705) 4.397 6.095 ( -1.573 -1.533 -0.149) 2.202 6.133 ( -0.161 4.022 1.682) 4.363 6.311 ( -0.259 1.115 -1.225) 1.677 6.449 ( -0.111 0.954 0.353) 1.023 6.470 ( -0.067 0.051 -0.097) 0.128======================= Grid point 21 (14/219) =======================q-point: ( 0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( 0.572 0.572 0.872) 1.189 0.933 ( 1.611 0.381 -1.102) 1.988 1.189 ( -0.560 -0.504 -0.195) 0.778 1.234 ( -0.131 0.288 0.138) 0.345 1.298 ( -3.633 -8.749 1.340) 9.567 1.394 ( -0.265 -4.023 -0.013) 4.031 1.626 ( 1.748 -4.342 -0.628) 4.723 1.678 ( -0.015 -5.169 1.339) 5.340 1.794 ( 0.378 -3.765 -2.282) 4.419 1.876 ( -0.141 0.305 3.556) 3.572 2.018 ( -2.206 3.106 -3.146) 4.941 2.126 ( -0.460 1.030 1.838) 2.156 2.198 ( -0.392 2.811 -0.706) 2.925 2.276 ( 0.725 0.028 1.774) 1.916 2.528 ( -0.705 -2.055 2.756) 3.509 2.673 ( -1.021 0.516 -0.756) 1.372 2.783 ( -0.572 -7.215 -0.077) 7.238 2.885 ( -1.452 -5.076 -4.224) 6.761 2.951 ( -0.862 -4.588 -5.938) 7.553 3.084 ( -0.620 -5.915 3.132) 6.722 3.373 ( 0.429 0.470 4.585) 4.629 4.384 ( 0.613 0.473 -0.459) 0.900 4.405 ( 0.992 3.494 0.316) 3.646 4.465 ( 1.054 -0.906 1.839) 2.305 4.499 ( -0.066 -1.364 0.121) 1.371 4.544 ( -1.079 -1.269 -0.737) 1.821 4.610 ( -1.196 -2.156 1.087) 2.695 4.740 ( -0.180 -0.146 0.563) 0.608 4.798 ( -0.020 -0.003 -0.872) 0.872 4.827 ( 0.144 0.451 -1.622) 1.690 5.031 ( -0.154 -1.937 -0.268) 1.962 5.148 ( 1.472 -0.263 2.175) 2.639 5.216 ( 0.193 0.836 -1.880) 2.067 5.380 ( 2.116 -1.203 -0.537) 2.492 5.403 ( 0.526 1.841 4.285) 4.694 5.530 ( 0.911 0.842 -0.879) 1.520 5.554 ( 0.233 -1.872 -1.202) 2.237 5.651 ( 0.096 0.998 -3.656) 3.791 5.810 ( 0.595 -1.400 2.956) 3.325 5.939 ( 0.134 1.410 -2.173) 2.594 6.079 ( -0.190 2.157 1.663) 2.731 6.123 ( -1.246 -0.970 -0.080) 1.581 6.273 ( -0.301 2.045 -1.492) 2.549 6.441 ( -0.153 -0.030 0.033) 0.159 6.475 ( -0.176 -0.191 0.188) 0.321======================= Grid point 22 (15/219) =======================q-point: ( 0.50 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 0.716 1.545 0.466) 1.765 0.928 ( 0.985 0.574 -0.641) 1.308 1.191 ( -0.286 -0.015 -0.036) 0.289 1.217 ( 0.359 1.330 -0.103) 1.381 1.422 ( 0.486 -4.859 0.533) 4.912 1.495 ( -0.676 -6.258 0.205) 6.298 1.663 ( -0.955 1.611 -1.000) 2.123 1.735 ( -0.641 -1.674 0.262) 1.811 1.813 ( -0.609 0.230 -0.502) 0.823 1.887 ( 0.694 -1.293 0.786) 1.664 1.986 ( -1.320 -0.565 -0.703) 1.599 2.095 ( 0.679 2.822 2.976) 4.157 2.150 ( -0.097 1.553 -0.280) 1.581 2.280 ( 0.053 -0.380 0.081) 0.392 2.553 ( -0.279 -0.777 0.278) 0.871 2.645 ( -1.016 1.565 0.176) 1.874 2.891 ( -0.619 -4.574 1.224) 4.775 2.934 ( -1.177 -2.339 -2.788) 3.825 3.035 ( -0.756 -5.109 -5.306) 7.405 3.169 ( -0.009 -2.083 3.116) 3.748 3.374 ( 0.326 0.477 2.355) 2.425 4.350 ( 0.340 2.167 0.117) 2.196 4.357 ( 0.309 1.686 -0.039) 1.715 4.499 ( 0.580 -1.275 1.374) 1.962 4.518 ( 0.097 -0.861 -0.373) 0.943 4.583 ( -0.698 -2.485 -0.770) 2.694 4.649 ( -0.527 -1.793 1.317) 2.286 4.738 ( 0.158 0.316 0.327) 0.481 4.793 ( -0.365 0.308 -0.805) 0.936 4.843 ( -0.398 -2.700 -1.345) 3.043 5.042 ( 0.260 1.530 -0.544) 1.645 5.146 ( 0.944 0.287 1.907) 2.147 5.200 ( -0.462 0.014 -1.595) 1.660 5.349 ( 0.357 3.822 2.081) 4.367 5.433 ( 2.029 -2.726 0.853) 3.503 5.525 ( -0.076 1.303 -0.161) 1.315 5.595 ( -0.074 -2.505 -0.306) 2.525 5.617 ( 0.763 0.389 -3.171) 3.285 5.785 ( 0.340 4.728 0.423) 4.759 5.923 ( 0.549 -0.071 0.992) 1.136 6.020 ( -0.191 3.675 0.633) 3.734 6.136 ( -0.699 -0.932 -0.331) 1.211 6.232 ( -0.364 1.604 -0.941) 1.895 6.444 ( -0.125 -0.294 -0.122) 0.342 6.472 ( -0.110 0.415 0.161) 0.458======================= Grid point 23 (16/219) =======================q-point: (-0.43 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( 0.131 0.557 0.182) 0.601 0.919 ( -0.148 0.455 -0.136) 0.498 1.191 ( -0.291 -0.311 -0.067) 0.431 1.200 ( 0.167 0.407 0.042) 0.441 1.467 ( 0.509 1.255 -1.101) 1.745 1.561 ( -2.025 1.356 -0.590) 2.507 1.632 ( 0.918 -3.154 0.797) 3.380 1.774 ( 0.116 -0.653 0.150) 0.680 1.804 ( -0.455 -0.940 -0.334) 1.096 1.899 ( 0.713 0.855 1.058) 1.536 1.999 ( -0.247 -1.004 -0.285) 1.073 2.055 ( 0.948 1.581 1.503) 2.379 2.137 ( -0.023 0.019 -0.242) 0.243 2.289 ( 0.035 -0.234 0.177) 0.296 2.563 ( 0.213 -0.234 0.260) 0.410 2.629 ( 0.341 -0.673 -0.459) 0.883 2.926 ( -0.731 0.490 -2.807) 2.942 2.973 ( 0.028 -1.747 3.489) 3.902 3.097 ( -0.318 -2.293 -3.531) 4.222 3.173 ( -0.173 1.816 1.518) 2.373 3.368 ( 0.235 0.619 0.279) 0.718 4.331 ( -0.269 0.073 0.026) 0.280 4.337 ( 0.167 0.286 -0.033) 0.332 4.511 ( -0.286 1.167 -0.896) 1.498 4.519 ( -0.568 -0.172 0.105) 0.603 4.619 ( 0.753 -1.180 0.649) 1.543 4.667 ( 0.217 0.187 0.160) 0.328 4.734 ( 0.131 0.134 0.228) 0.295 4.790 ( -0.001 -0.462 -0.029) 0.463 4.893 ( -0.221 -1.170 -0.176) 1.203 4.994 ( -0.096 1.115 -0.282) 1.154 5.146 ( -0.071 0.939 0.001) 0.942 5.218 ( 0.110 -1.632 0.224) 1.651 5.292 ( -0.189 1.444 -0.543) 1.554 5.458 ( -1.381 3.605 -1.359) 4.093 5.506 ( 1.503 -2.836 1.404) 3.503 5.618 ( 0.489 -0.983 1.443) 1.813 5.665 ( -0.255 3.110 -0.160) 3.124 5.689 ( 0.183 -2.216 -0.247) 2.237 5.925 ( 0.188 1.175 0.175) 1.203 5.979 ( 0.006 -0.515 0.137) 0.533 6.147 ( -0.021 -0.379 -0.153) 0.409 6.214 ( -0.316 -0.262 -0.450) 0.609 6.450 ( -0.003 -0.188 0.143) 0.236 6.465 ( -0.054 0.089 -0.240) 0.261======================= Grid point 24 (17/219) =======================q-point: (-0.36 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( -0.488 -1.011 -0.093) 1.127 0.911 ( -0.947 0.041 0.207) 0.970 1.198 ( 0.130 -0.070 0.341) 0.371 1.209 ( -0.353 -1.489 -0.155) 1.538 1.405 ( -0.346 3.488 -0.954) 3.633 1.500 ( 0.488 4.061 -0.577) 4.130 1.677 ( -0.390 1.857 0.048) 1.899 1.746 ( 0.637 1.657 -0.183) 1.785 1.842 ( 0.740 -0.717 1.802) 2.076 1.877 ( 0.338 1.554 -0.313) 1.621 2.019 ( 0.888 -1.360 0.265) 1.646 2.069 ( 0.273 -2.463 -0.313) 2.498 2.150 ( -0.100 -1.824 -0.599) 1.923 2.285 ( 0.072 0.723 0.568) 0.922 2.565 ( 0.912 0.924 0.695) 1.472 2.658 ( 0.875 -1.792 -1.565) 2.535 2.884 ( 0.101 3.069 -1.185) 3.292 2.988 ( 0.501 1.179 4.723) 4.894 3.080 ( 0.386 3.947 1.946) 4.417 3.128 ( -0.731 2.093 -4.220) 4.767 3.354 ( 0.138 0.853 -1.427) 1.668 4.342 ( -0.386 -1.603 -0.026) 1.649 4.353 ( -0.072 -1.748 0.069) 1.751 4.461 ( -1.345 2.755 -1.822) 3.566 4.515 ( -0.250 0.499 0.247) 0.610 4.621 ( 1.502 2.091 1.339) 2.902 4.652 ( 0.620 1.277 -0.992) 1.731 4.739 ( 0.216 -0.370 0.268) 0.505 4.804 ( 0.180 -0.538 0.380) 0.683 4.856 ( 0.038 2.967 0.498) 3.009 5.037 ( -0.640 -3.396 0.120) 3.458 5.112 ( -0.748 1.785 -1.218) 2.286 5.226 ( 0.462 0.634 1.638) 1.816 5.316 ( -0.399 -3.408 -2.741) 4.391 5.388 ( -1.686 2.442 -0.582) 3.024 5.536 ( 0.529 0.979 1.171) 1.615 5.589 ( -0.358 1.964 -0.644) 2.098 5.654 ( 0.201 -1.757 4.978) 5.282 5.768 ( -0.340 -3.070 -1.690) 3.521 5.913 ( -0.031 -0.890 -0.021) 0.891 6.020 ( 0.190 -3.011 -0.194) 3.023 6.148 ( 0.370 0.256 -0.226) 0.503 6.237 ( -0.177 -2.035 0.033) 2.043 6.449 ( 0.125 0.272 0.299) 0.423 6.470 ( -0.019 -0.541 -0.471) 0.718======================= Grid point 25 (18/219) =======================q-point: (-0.29 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( -0.349 -0.816 -0.351) 0.954 0.912 ( -1.011 -0.584 0.406) 1.236 1.199 ( 0.150 0.188 0.371) 0.442 1.232 ( -0.223 -0.631 -0.072) 0.673 1.349 ( 0.847 2.651 0.029) 2.784 1.416 ( 3.705 5.500 -0.743) 6.673 1.577 ( -3.245 6.136 -0.512) 6.960 1.674 ( 0.217 6.479 -0.478) 6.500 1.822 ( 0.209 4.210 3.105) 5.236 1.852 ( 0.544 0.795 -2.747) 2.911 2.069 ( 0.583 -3.295 0.315) 3.361 2.125 ( 0.973 -2.121 0.484) 2.383 2.195 ( -0.273 -2.380 -1.163) 2.663 2.270 ( -0.198 0.721 0.918) 1.184 2.519 ( 0.593 4.126 -1.998) 4.623 2.693 ( 0.657 -1.177 -0.069) 1.350 2.790 ( 0.121 7.362 -0.062) 7.363 2.955 ( 1.053 4.949 5.479) 7.458 3.004 ( -0.001 3.690 3.598) 5.154 3.058 ( 0.196 3.582 -4.862) 6.042 3.332 ( -0.038 0.906 -3.012) 3.146 4.372 ( -0.714 1.253 0.135) 1.449 4.388 ( -0.453 -2.452 -0.095) 2.496 4.424 ( -0.904 -2.159 -1.523) 2.793 4.501 ( 0.033 1.073 0.136) 1.082 4.582 ( 1.540 2.191 0.989) 2.855 4.618 ( 0.404 2.160 -1.008) 2.417 4.742 ( 0.225 0.307 -0.144) 0.407 4.806 ( 0.010 0.414 0.683) 0.799 4.829 ( -0.310 -0.182 0.290) 0.462 5.039 ( 0.365 2.454 0.376) 2.509 5.101 ( -1.414 -0.029 -1.355) 1.958 5.221 ( -0.428 0.180 0.752) 0.884 5.346 ( -1.298 0.499 0.105) 1.394 5.374 ( 0.226 -2.378 -1.806) 2.995 5.523 ( -0.330 -0.262 0.271) 0.500 5.558 ( -0.283 1.961 0.787) 2.131 5.686 ( -0.065 -0.192 3.893) 3.898 5.777 ( -0.082 1.107 -2.700) 2.919 5.957 ( 0.104 -2.706 1.564) 3.127 6.073 ( 0.174 -2.153 -0.539) 2.227 6.140 ( 0.574 0.827 -0.499) 1.123 6.280 ( -0.174 -2.334 0.305) 2.360 6.445 ( 0.137 0.179 0.059) 0.233 6.476 ( 0.050 0.020 -0.246) 0.252======================= Grid point 26 (19/219) =======================q-point: (-0.21 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 0.029 0.853 -0.381) 0.935 0.925 ( -0.357 -1.045 0.495) 1.210 1.171 ( 1.007 8.386 0.233) 8.449 1.195 ( -0.156 1.499 -0.390) 1.557 1.291 ( 3.062 3.462 0.410) 4.640 1.360 ( 3.135 2.020 -0.625) 3.781 1.451 ( -4.657 4.284 0.778) 6.376 1.516 ( -0.089 9.426 -1.870) 9.610 1.731 ( -0.156 5.644 3.475) 6.630 1.811 ( -0.159 2.888 -3.484) 4.529 2.126 ( -0.152 0.163 -1.288) 1.307 2.138 ( 0.364 0.093 1.009) 1.077 2.195 ( 0.309 2.087 0.165) 2.116 2.265 ( -0.381 0.702 1.548) 1.742 2.419 ( -0.513 5.387 -3.778) 6.600 2.612 ( 0.165 10.310 0.212) 10.314 2.689 ( 0.171 2.483 0.522) 2.543 2.832 ( 1.847 9.491 3.975) 10.454 2.888 ( -0.957 8.680 -1.937) 8.945 3.028 ( 0.908 0.626 3.839) 3.994 3.306 ( -0.308 0.949 -4.146) 4.265 4.313 ( -0.984 3.861 -0.069) 3.985 4.391 ( -0.035 3.395 -0.554) 3.440 4.462 ( 0.139 0.570 0.107) 0.596 4.500 ( 0.191 -1.364 -0.072) 1.379 4.581 ( 0.450 -1.520 -0.140) 1.591 4.599 ( -0.120 -1.321 0.105) 1.331 4.722 ( 0.144 3.125 -0.106) 3.130 4.794 ( -0.071 1.315 0.113) 1.322 4.837 ( -0.502 -0.084 0.114) 0.522 4.998 ( 0.572 2.264 0.685) 2.433 5.033 ( -1.232 4.709 -1.614) 5.128 5.222 ( -0.698 -0.778 0.328) 1.095 5.345 ( -0.760 -0.901 0.472) 1.270 5.405 ( 0.753 -0.599 -0.429) 1.054 5.494 ( -0.621 4.918 -0.044) 4.957 5.551 ( -0.298 -2.701 -0.364) 2.741 5.682 ( -0.300 1.143 3.236) 3.445 5.725 ( 0.884 3.667 -2.461) 4.504 5.977 ( 0.307 1.887 1.762) 2.600 6.117 ( 0.510 1.411 -0.010) 1.501 6.127 ( 0.212 -4.311 -0.853) 4.399 6.315 ( -0.136 -1.088 0.195) 1.114 6.450 ( 0.095 -0.838 -0.107) 0.850 6.472 ( 0.023 0.026 0.003) 0.035======================= Grid point 27 (20/219) =======================q-point: (-0.14 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( 0.049 6.472 -0.418) 6.485 0.922 ( 1.989 11.643 1.584) 11.917 0.952 ( -1.153 2.347 -1.321) 2.930 1.169 ( 0.046 1.978 0.157) 1.985 1.234 ( 0.613 4.663 -0.005) 4.703 1.291 ( 0.442 7.206 3.097) 7.856 1.313 ( 0.216 9.055 -3.959) 9.885 1.432 ( -0.808 -2.179 -0.207) 2.333 1.640 ( 0.093 4.169 2.006) 4.627 1.731 ( -0.373 4.630 -1.879) 5.010 1.968 ( -0.537 15.890 -0.925) 15.926 2.093 ( -0.247 2.692 -0.381) 2.730 2.177 ( -0.138 7.691 -0.081) 7.693 2.206 ( 0.445 5.566 2.938) 6.309 2.303 ( -0.808 3.029 -3.332) 4.576 2.464 ( 0.062 3.766 0.353) 3.783 2.603 ( 0.384 7.316 0.456) 7.340 2.639 ( 2.356 11.478 2.887) 12.068 2.680 ( -2.349 11.189 -2.539) 11.712 3.023 ( 0.621 1.632 4.011) 4.375 3.277 ( -0.441 0.911 -3.307) 3.458 4.142 ( -0.198 17.766 0.169) 17.768 4.321 ( -0.088 2.837 -0.157) 2.842 4.399 ( 0.587 12.973 0.238) 12.988 4.443 ( -0.101 17.242 -0.127) 17.243 4.476 ( -0.483 4.459 -0.399) 4.502 4.580 ( -0.114 6.625 0.260) 6.631 4.660 ( 0.076 -3.019 0.214) 3.028 4.796 ( -0.096 -3.804 -0.477) 3.835 4.832 ( 0.027 -0.908 -0.308) 0.959 4.982 ( 0.338 -2.194 0.883) 2.389 5.026 ( -0.558 -3.387 -0.974) 3.569 5.266 ( -0.356 -4.330 0.320) 4.356 5.357 ( -0.179 0.800 0.665) 1.056 5.369 ( 0.409 5.673 -0.120) 5.689 5.420 ( -0.221 -0.639 -0.764) 1.021 5.610 ( 0.029 -3.175 0.072) 3.176 5.641 ( 0.769 4.269 2.499) 5.006 5.667 ( 0.343 1.227 -2.535) 2.837 5.946 ( 0.215 0.290 0.971) 1.036 6.084 ( 0.565 1.954 -0.391) 2.071 6.237 ( -0.296 -6.437 0.320) 6.452 6.314 ( -0.047 0.964 -0.180) 0.982 6.480 ( -0.029 -2.292 0.027) 2.292 6.490 ( -0.083 -2.130 0.014) 2.131======================= Grid point 28 (21/219) =======================q-point: (-0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( -0.000 16.543 -0.000) 16.543 0.691 ( -0.000 13.690 -0.000) 13.690 0.931 ( -0.000 2.799 -0.000) 2.799 1.115 ( -0.000 6.433 -0.000) 6.433 1.116 ( -0.000 6.895 -0.000) 6.895 1.150 ( -0.000 6.505 -0.000) 6.505 1.161 ( -0.000 6.309 -0.000) 6.309 1.489 ( 0.000 -3.064 0.000) 3.064 1.574 ( -0.000 19.590 -0.000) 19.590 1.596 ( -0.000 4.087 -0.000) 4.087 1.630 ( -0.000 5.587 -0.000) 5.587 1.874 ( -0.000 20.106 -0.000) 20.106 2.010 ( -0.000 13.246 -0.000) 13.246 2.060 ( -0.000 2.221 -0.000) 2.221 2.276 ( -0.000 6.337 -0.000) 6.337 2.394 ( -0.000 11.877 -0.000) 11.877 2.404 ( -0.000 3.958 -0.000) 3.958 2.493 ( -0.000 1.975 -0.000) 1.975 2.535 ( -0.000 3.431 -0.000) 3.431 2.969 ( -0.000 6.303 -0.000) 6.303 3.250 ( -0.000 3.365 -0.000) 3.365 3.541 ( -0.000 41.758 -0.000) 41.758 3.707 ( -0.000 44.504 -0.000) 44.504 4.279 ( -0.000 2.109 -0.000) 2.109 4.361 ( -0.000 2.603 -0.000) 2.603 4.382 ( -0.000 3.591 -0.000) 3.591 4.471 ( -0.000 4.368 -0.000) 4.368 4.722 ( 0.000 -2.943 0.000) 2.943 4.863 ( 0.000 -2.002 0.000) 2.002 4.863 ( 0.000 -2.492 0.000) 2.492 5.046 ( 0.000 -3.516 0.000) 3.516 5.129 ( 0.000 -6.413 0.000) 6.413 5.275 ( -0.000 3.898 -0.000) 3.898 5.298 ( -0.000 5.202 -0.000) 5.202 5.368 ( 0.000 -5.448 0.000) 5.448 5.449 ( 0.000 -1.303 0.000) 1.303 5.581 ( -0.000 1.774 -0.000) 1.774 5.659 ( 0.000 -1.072 0.000) 1.072 5.667 ( 0.000 -2.394 0.000) 2.394 5.982 ( 0.000 -3.512 0.000) 3.512 6.054 ( -0.000 1.200 -0.000) 1.200 6.294 ( -0.000 0.711 -0.000) 0.711 6.353 ( 0.000 -5.552 0.000) 5.552 6.533 ( 0.000 -3.180 0.000) 3.180 6.545 ( 0.000 -3.303 0.000) 3.303======================= Grid point 31 (22/219) =======================q-point: ( 0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.294 ( 11.669 0.000 6.653) 13.432 0.355 ( 12.634 0.000 9.899) 16.050 0.370 ( 8.855 0.000 16.038) 18.321 0.439 ( -0.718 -0.000 -0.682) 0.991 0.852 ( 3.520 0.000 -1.675) 3.898 0.967 ( 0.603 0.000 -3.138) 3.196 1.043 ( 1.778 0.000 3.229) 3.686 1.114 ( -2.432 -0.000 -1.306) 2.761 1.166 ( -0.542 -0.000 0.022) 0.542 1.270 ( -3.161 -0.000 1.806) 3.640 1.474 ( 2.000 0.000 -0.024) 2.000 1.586 ( -4.806 -0.000 -0.471) 4.829 1.685 ( -0.019 -0.000 -8.733) 8.733 1.756 ( 4.495 0.000 -2.253) 5.028 1.936 ( 0.392 0.000 1.148) 1.213 2.058 ( -0.337 -0.000 -0.557) 0.651 2.167 ( 0.110 0.000 0.185) 0.215 2.356 ( 1.389 0.000 -5.870) 6.032 2.428 ( -1.756 -0.000 -1.890) 2.580 2.558 ( 2.634 0.000 1.730) 3.151 2.608 ( 0.295 0.000 -0.054) 0.300 2.644 ( -5.007 -0.000 13.360) 14.268 3.020 ( -2.751 -0.000 -6.774) 7.311 3.396 ( 1.056 0.000 7.118) 7.196 4.221 ( -0.084 -0.000 -0.002) 0.084 4.314 ( -0.123 -0.000 0.021) 0.125 4.349 ( -0.354 -0.000 -0.021) 0.355 4.704 ( -12.555 -0.000 23.073) 26.268 4.787 ( -2.768 -0.000 5.908) 6.525 4.909 ( 0.712 0.000 -1.592) 1.744 4.963 ( -2.424 -0.000 13.681) 13.894 5.158 ( 0.093 0.000 -0.560) 0.568 5.188 ( -0.280 -0.000 0.046) 0.284 5.209 ( -0.227 -0.000 -0.054) 0.233 5.400 ( -3.739 -0.000 9.499) 10.209 5.513 ( -0.596 -0.000 0.350) 0.691 5.578 ( -1.138 -0.000 0.657) 1.314 5.711 ( -0.540 -0.000 0.115) 0.552 5.784 ( -4.319 -0.000 6.407) 7.727 6.035 ( 0.027 0.000 -2.113) 2.114 6.078 ( -0.833 -0.000 -2.388) 2.529 6.334 ( 1.654 0.000 5.274) 5.528 6.519 ( 1.897 0.000 -3.083) 3.620 6.630 ( 0.137 0.000 -0.195) 0.238 6.800 ( 3.370 0.000 -7.428) 8.157======================= Grid point 32 (23/219) =======================q-point: ( 0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.405 ( 9.019 -6.735 -0.395) 11.263 0.495 ( 2.677 -10.983 12.517) 16.866 0.811 ( 4.280 -15.298 -0.237) 15.887 0.931 ( 3.889 -10.472 2.266) 11.399 1.031 ( 0.443 -5.632 -1.570) 5.863 1.066 ( 1.135 -2.081 -0.632) 2.453 1.114 ( 0.347 -7.352 6.157) 9.596 1.206 ( -4.055 -9.792 1.483) 10.702 1.410 ( -0.537 -16.425 -0.922) 16.460 1.433 ( -2.649 -16.236 -1.188) 16.493 1.540 ( -4.592 0.562 1.123) 4.761 1.590 ( 1.504 -4.277 -4.245) 6.211 1.825 ( 2.805 -7.172 4.920) 9.138 2.035 ( -0.117 -13.968 1.018) 14.006 2.111 ( 1.266 -4.251 0.909) 4.528 2.176 ( 0.941 -12.826 -0.432) 12.868 2.343 ( 0.184 -8.907 -1.823) 9.093 2.406 ( -0.949 -19.547 -7.951) 21.124 2.493 ( 0.234 -4.449 -3.449) 5.634 2.596 ( -0.144 -37.911 -0.705) 37.918 2.638 ( 1.807 -7.248 5.020) 9.000 3.002 ( -3.823 -11.075 -8.371) 14.400 3.396 ( 1.723 -0.803 7.682) 7.914 3.794 ( -19.118 -47.118 -25.138) 56.723 4.250 ( 0.626 -2.653 -0.683) 2.810 4.326 ( -0.067 -1.301 0.081) 1.305 4.370 ( 0.739 -2.183 0.174) 2.311 4.736 ( -3.090 -0.769 0.151) 3.188 4.819 ( -8.981 -5.994 8.708) 13.872 4.894 ( 0.151 1.368 -0.501) 1.464 4.958 ( -2.140 2.114 12.026) 12.396 5.151 ( -0.165 0.490 0.214) 0.560 5.216 ( 0.030 -2.778 0.209) 2.786 5.238 ( 0.089 -2.222 -0.767) 2.352 5.391 ( -3.197 0.740 7.418) 8.112 5.475 ( 0.151 3.711 -0.973) 3.839 5.561 ( -1.205 1.126 1.334) 2.121 5.682 ( -0.914 2.506 0.614) 2.737 5.742 ( -2.750 2.908 3.371) 5.232 6.009 ( -0.166 2.179 -4.564) 5.060 6.047 ( -0.295 1.498 -0.553) 1.624 6.333 ( 1.685 1.776 4.994) 5.561 6.486 ( 2.331 3.670 -2.709) 5.123 6.605 ( 0.221 2.428 -0.450) 2.479 6.686 ( 4.285 8.216 -2.371) 9.565======================= Grid point 33 (24/219) =======================q-point: ( 0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( 1.437 -10.885 0.903) 11.016 0.728 ( 0.740 -9.410 4.615) 10.507 0.931 ( 0.347 -3.180 -0.653) 3.265 1.094 ( 0.130 -3.035 -2.800) 4.131 1.112 ( -0.104 -5.068 1.165) 5.201 1.155 ( 0.062 -5.218 -0.924) 5.300 1.241 ( -0.489 -5.225 7.308) 8.997 1.408 ( -3.392 -6.081 3.140) 7.638 1.526 ( -1.582 -2.956 -3.364) 4.749 1.653 ( 1.342 -9.512 -0.406) 9.615 1.713 ( 4.111 -17.624 1.978) 18.205 1.857 ( 0.185 -18.138 0.263) 18.141 2.050 ( 1.559 -11.232 2.807) 11.682 2.146 ( 2.792 -0.993 2.593) 3.937 2.283 ( -0.586 -9.360 2.145) 9.620 2.318 ( -0.399 -6.957 -2.925) 7.557 2.379 ( -0.615 -5.677 -5.527) 7.947 2.473 ( -0.067 -1.632 -2.741) 3.191 2.633 ( 2.545 -3.482 3.142) 5.336 2.836 ( -1.109 -3.770 -11.189) 11.859 3.357 ( 1.517 -7.986 7.411) 11.000 3.535 ( -0.184 -41.445 -0.082) 41.446 3.669 ( -2.996 -43.520 1.884) 43.663 4.270 ( -2.254 -11.880 -4.743) 12.989 4.331 ( -1.240 -10.314 -4.897) 11.485 4.366 ( -0.108 -3.772 -0.097) 3.775 4.438 ( 2.279 -4.046 0.169) 4.647 4.703 ( -0.769 2.442 -1.002) 2.749 4.859 ( -0.115 1.812 0.036) 1.816 4.883 ( -2.593 -0.086 -0.404) 2.626 4.931 ( -4.947 -0.045 4.913) 6.972 5.134 ( -0.123 1.902 0.462) 1.961 5.273 ( -0.227 -2.426 1.334) 2.778 5.287 ( -0.201 -4.414 -0.421) 4.439 5.377 ( 0.301 5.684 -1.832) 5.980 5.394 ( -2.247 -1.294 4.516) 5.208 5.538 ( -0.888 0.852 1.444) 1.897 5.632 ( -1.062 1.627 0.566) 2.024 5.688 ( -1.641 1.844 0.908) 2.630 5.943 ( 0.334 3.047 -4.410) 5.370 6.035 ( -0.907 -0.335 0.585) 1.130 6.315 ( 0.754 1.574 3.103) 3.560 6.396 ( 2.145 6.245 -2.504) 7.062 6.548 ( 0.372 3.441 -0.886) 3.573 6.564 ( 1.399 5.578 0.091) 5.751======================= Grid point 34 (25/219) =======================q-point: ( 0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( -2.989 -9.707 1.668) 10.293 0.862 ( -0.142 -4.451 1.081) 4.583 0.983 ( -0.302 -3.059 1.275) 3.328 1.138 ( -1.609 -2.584 -0.931) 3.183 1.199 ( -1.402 -2.906 0.013) 3.226 1.228 ( -1.175 -4.372 -3.238) 5.566 1.372 ( 0.226 -7.696 7.677) 10.873 1.491 ( 1.816 -3.833 0.262) 4.249 1.598 ( 0.537 -5.304 -2.908) 6.073 1.783 ( 0.256 -5.031 0.286) 5.045 2.042 ( 1.555 -9.930 2.749) 10.420 2.134 ( 1.132 -4.258 0.902) 4.498 2.157 ( 1.305 -6.114 -2.647) 6.789 2.209 ( 0.922 -2.804 3.778) 4.795 2.377 ( -0.764 -4.471 1.978) 4.948 2.478 ( 1.436 -7.687 1.661) 7.994 2.520 ( -0.770 -8.710 -5.279) 10.214 2.561 ( -1.875 -8.566 -2.554) 9.133 2.753 ( 0.519 -7.196 1.396) 7.348 2.861 ( -1.727 -3.302 -9.436) 10.145 3.394 ( 1.028 0.528 6.737) 6.835 4.156 ( 0.937 -18.538 -0.502) 18.569 4.339 ( 0.440 -10.725 1.512) 10.840 4.359 ( -1.041 -8.498 0.037) 8.562 4.462 ( 0.585 -14.031 0.463) 14.051 4.500 ( 0.364 -4.277 -0.438) 4.315 4.591 ( 0.988 -7.490 -1.104) 7.635 4.642 ( -0.561 3.110 -1.001) 3.315 4.819 ( 0.004 2.374 1.962) 3.080 4.841 ( -0.305 0.889 1.474) 1.748 4.925 ( -1.946 -0.923 -2.791) 3.525 5.090 ( 1.427 2.178 2.047) 3.312 5.264 ( -0.458 3.255 -2.453) 4.102 5.329 ( 0.302 -1.914 0.303) 1.962 5.396 ( 1.187 -3.919 0.353) 4.109 5.441 ( -0.497 -3.874 2.030) 4.401 5.550 ( -1.590 -3.690 -0.203) 4.023 5.614 ( 0.007 0.807 -0.205) 0.833 5.672 ( -1.465 -1.264 1.814) 2.653 5.900 ( 0.317 0.172 -3.528) 3.546 6.051 ( -1.660 -1.755 0.697) 2.514 6.250 ( 1.071 6.910 -1.124) 7.083 6.318 ( -0.514 0.805 0.471) 1.064 6.482 ( 0.211 2.717 -0.194) 2.732 6.496 ( 0.226 2.552 -0.142) 2.566======================= Grid point 35 (26/219) =======================q-point: ( 0.43 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( -0.127 -1.765 1.588) 2.377 0.928 ( 0.458 -2.120 -1.202) 2.480 1.091 ( -4.194 -9.103 3.484) 10.611 1.166 ( -1.487 -1.441 -0.042) 2.071 1.228 ( -0.267 -1.185 -0.076) 1.217 1.305 ( -2.040 -5.018 -3.334) 6.360 1.537 ( 1.780 -6.728 3.647) 7.857 1.580 ( 1.835 -4.747 0.798) 5.152 1.702 ( 1.377 -5.373 -2.449) 6.063 1.857 ( -0.622 -2.741 1.524) 3.198 2.080 ( -0.556 3.350 -1.646) 3.774 2.133 ( -0.630 0.602 -0.293) 0.920 2.233 ( 0.126 0.568 -1.566) 1.670 2.277 ( 1.531 -2.070 5.811) 6.356 2.481 ( -0.958 -3.969 3.819) 5.591 2.619 ( 0.366 -8.431 0.692) 8.467 2.645 ( -0.817 -3.402 -4.971) 6.079 2.722 ( -1.207 -9.901 -3.687) 10.634 2.861 ( -1.059 -3.993 -4.463) 6.082 2.947 ( -1.385 -7.809 0.090) 7.931 3.399 ( 0.564 0.737 5.567) 5.644 4.355 ( 1.398 -4.513 -0.407) 4.742 4.405 ( -0.246 -3.083 0.615) 3.154 4.453 ( -0.047 -3.056 0.858) 3.174 4.496 ( -0.123 2.052 0.112) 2.058 4.574 ( -0.466 2.915 0.297) 2.967 4.595 ( 0.156 2.230 -0.445) 2.279 4.718 ( -0.202 -3.571 0.661) 3.637 4.806 ( 0.542 0.464 0.301) 0.774 4.841 ( 0.158 0.827 -1.740) 1.933 4.982 ( -0.131 -4.185 -0.374) 4.204 5.113 ( 1.481 -3.397 3.180) 4.883 5.226 ( 0.095 0.559 -2.696) 2.755 5.363 ( 1.140 -1.409 -0.475) 1.873 5.433 ( 1.628 -0.048 2.855) 3.287 5.512 ( 0.464 -2.606 -0.389) 2.675 5.571 ( 0.265 2.442 0.084) 2.458 5.636 ( 0.133 -2.492 -2.883) 3.813 5.747 ( -0.371 -5.696 3.558) 6.726 5.925 ( 0.016 -2.345 -3.631) 4.322 6.078 ( -1.625 -1.566 -0.302) 2.277 6.141 ( 0.057 3.839 2.108) 4.380 6.298 ( -0.866 1.171 -2.103) 2.558 6.450 ( -0.074 1.048 0.395) 1.123 6.469 ( -0.071 0.104 -0.158) 0.202======================= Grid point 36 (27/219) =======================q-point: ( 0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( 0.472 0.489 1.065) 1.264 0.943 ( 1.435 0.278 -1.392) 2.018 1.183 ( -0.696 -0.877 0.296) 1.158 1.234 ( -0.095 -0.550 0.151) 0.578 1.273 ( -2.714 -9.172 1.923) 9.756 1.385 ( -0.972 -5.038 -1.517) 5.351 1.641 ( 1.854 -3.122 -0.243) 3.639 1.684 ( 0.067 -4.284 1.102) 4.424 1.793 ( 1.028 -3.522 -1.197) 3.860 1.889 ( -0.326 0.132 3.338) 3.357 1.983 ( -2.021 3.314 -3.069) 4.948 2.126 ( -0.752 0.055 1.223) 1.437 2.188 ( -0.530 2.568 -1.434) 2.988 2.299 ( 1.149 1.308 3.853) 4.228 2.532 ( -0.548 -1.557 2.053) 2.635 2.657 ( -1.189 -0.035 -1.624) 2.013 2.776 ( -0.750 -7.231 -0.260) 7.274 2.856 ( -1.399 -5.132 -2.730) 5.979 2.916 ( -0.833 -4.669 -5.575) 7.319 3.090 ( -0.578 -6.572 2.228) 6.963 3.396 ( 0.390 0.901 3.869) 3.991 4.386 ( 0.417 0.793 -0.512) 1.032 4.417 ( 0.951 3.657 0.336) 3.794 4.474 ( -0.274 -2.099 0.462) 2.166 4.505 ( 0.767 -0.871 1.112) 1.607 4.535 ( -0.370 -0.734 -0.473) 0.948 4.603 ( -1.173 -2.452 1.009) 2.899 4.742 ( 0.002 -0.231 1.028) 1.054 4.794 ( -0.000 0.470 -0.695) 0.839 4.818 ( -0.116 0.516 -2.358) 2.417 5.029 ( -0.047 -1.663 -0.174) 1.673 5.170 ( 0.907 -0.241 2.007) 2.216 5.210 ( 0.192 0.957 -1.814) 2.060 5.398 ( 1.926 -1.485 -0.440) 2.472 5.429 ( 0.745 2.399 4.223) 4.913 5.536 ( 1.086 0.558 -1.183) 1.700 5.552 ( 0.141 -1.967 -0.809) 2.131 5.638 ( 0.141 1.397 -2.754) 3.091 5.828 ( 0.687 -1.147 2.571) 2.897 5.933 ( 0.256 0.495 -1.800) 1.885 6.085 ( -0.208 1.448 1.859) 2.365 6.111 ( -0.952 -0.187 0.009) 0.971 6.260 ( -0.802 1.687 -2.286) 2.952 6.440 ( -0.122 0.054 0.056) 0.145 6.474 ( -0.188 -0.233 0.102) 0.316======================= Grid point 37 (28/219) =======================q-point: ( 0.57 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 0.608 1.706 0.628) 1.917 0.934 ( 0.711 0.886 -0.803) 1.391 1.189 ( -0.282 0.017 0.121) 0.307 1.219 ( 0.266 1.259 -0.216) 1.305 1.428 ( 0.330 -6.073 0.144) 6.084 1.486 ( -0.952 -6.078 -0.345) 6.162 1.652 ( -0.509 2.876 -0.395) 2.947 1.729 ( -0.666 -1.682 0.081) 1.811 1.808 ( -0.222 0.516 -0.017) 0.562 1.898 ( 0.744 -1.483 0.814) 1.848 1.972 ( -0.957 -1.479 -0.419) 1.811 2.114 ( 0.473 2.055 2.934) 3.613 2.147 ( -0.007 1.236 -0.665) 1.404 2.284 ( 0.315 0.416 0.923) 1.060 2.553 ( 0.054 -0.811 0.393) 0.903 2.635 ( -0.897 1.140 -0.667) 1.597 2.882 ( -1.076 -4.059 -1.281) 4.390 2.920 ( -0.892 -3.716 1.283) 4.031 3.003 ( -0.652 -5.389 -5.690) 7.864 3.179 ( -0.147 -2.219 2.067) 3.036 3.387 ( 0.316 0.939 1.916) 2.157 4.354 ( 0.276 2.420 0.154) 2.440 4.360 ( 0.203 1.821 -0.090) 1.835 4.506 ( -0.221 -0.864 0.553) 1.049 4.515 ( -0.064 -0.609 -0.492) 0.786 4.580 ( 0.256 -2.788 0.059) 2.800 4.651 ( -0.288 -2.156 1.232) 2.500 4.742 ( 0.332 0.386 0.693) 0.860 4.786 ( -0.375 0.179 -0.846) 0.943 4.832 ( -0.512 -2.759 -1.530) 3.196 5.042 ( 0.147 1.055 -0.458) 1.160 5.162 ( 0.550 0.871 1.621) 1.921 5.191 ( -0.142 0.137 -1.196) 1.213 5.357 ( 0.093 4.299 0.896) 4.392 5.456 ( 1.642 -2.832 0.960) 3.412 5.523 ( -0.271 2.905 -0.121) 2.920 5.592 ( 0.113 -2.081 -0.778) 2.225 5.618 ( 1.126 -1.593 -1.037) 2.210 5.788 ( 0.213 5.496 0.018) 5.500 5.934 ( 0.617 -0.510 1.176) 1.423 6.022 ( -0.063 4.262 0.778) 4.332 6.128 ( -0.590 -1.357 -0.403) 1.533 6.222 ( -0.653 1.295 -1.332) 1.969 6.443 ( -0.103 -0.318 -0.054) 0.339 6.471 ( -0.120 0.395 0.026) 0.413======================= Grid point 38 (29/219) =======================q-point: (-0.36 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 0.184 1.022 0.251) 1.068 0.917 ( -0.206 0.805 -0.192) 0.852 1.187 ( -0.288 -0.332 -0.084) 0.448 1.202 ( 0.126 0.490 0.047) 0.508 1.466 ( 0.676 2.419 -1.761) 3.067 1.540 ( -1.886 0.513 0.244) 1.970 1.642 ( 0.486 -3.794 0.481) 3.855 1.777 ( 0.261 -1.507 0.282) 1.556 1.797 ( -0.532 -0.892 -0.394) 1.111 1.912 ( 0.685 1.017 1.031) 1.602 1.995 ( -0.214 -1.304 -0.239) 1.343 2.074 ( 1.202 2.224 2.067) 3.266 2.135 ( -0.126 0.117 -0.541) 0.568 2.290 ( 0.035 -0.335 0.227) 0.406 2.571 ( 0.744 -0.665 1.155) 1.526 2.628 ( -0.021 -1.070 -1.428) 1.784 2.907 ( -0.731 -0.068 -2.112) 2.236 2.989 ( -0.178 -2.237 3.612) 4.252 3.075 ( -0.354 -3.221 -4.423) 5.483 3.178 ( -0.211 2.473 1.331) 2.817 3.372 ( 0.275 1.031 0.324) 1.115 4.328 ( -0.261 0.296 0.003) 0.395 4.338 ( 0.140 0.324 -0.012) 0.353 4.501 ( -0.746 1.775 -0.977) 2.159 4.517 ( -0.120 -0.228 0.167) 0.307 4.630 ( 0.717 -1.844 0.603) 2.069 4.671 ( 0.270 0.355 0.208) 0.492 4.737 ( 0.193 0.260 0.323) 0.458 4.790 ( -0.002 -0.870 -0.039) 0.871 4.890 ( -0.298 -2.164 -0.246) 2.199 4.992 ( -0.109 2.094 -0.337) 2.124 5.146 ( -0.068 1.548 0.017) 1.549 5.220 ( 0.125 -2.826 0.283) 2.843 5.287 ( -0.210 2.541 -0.636) 2.628 5.441 ( -1.054 4.017 -1.091) 4.294 5.527 ( 1.334 -2.947 1.347) 3.504 5.629 ( 0.394 -1.875 1.460) 2.409 5.661 ( -0.450 5.497 -0.397) 5.529 5.692 ( 0.409 -3.411 -0.034) 3.436 5.928 ( 0.255 2.155 0.234) 2.183 5.980 ( 0.023 -0.937 0.203) 0.959 6.146 ( -0.051 -0.623 -0.238) 0.669 6.208 ( -0.403 -0.563 -0.568) 0.896 6.450 ( 0.007 -0.410 0.236) 0.473 6.463 ( -0.078 0.233 -0.356) 0.432======================= Grid point 39 (30/219) =======================q-point: (-0.29 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( -0.238 -0.773 -0.010) 0.809 0.904 ( -0.570 0.201 0.073) 0.609 1.200 ( 0.051 -0.094 0.253) 0.275 1.205 ( -0.213 -1.552 -0.132) 1.572 1.400 ( -0.115 3.226 -0.607) 3.284 1.503 ( 0.319 2.701 -0.308) 2.737 1.671 ( -0.484 3.190 -0.185) 3.232 1.750 ( 0.339 1.770 -0.129) 1.807 1.852 ( 0.091 -1.634 1.061) 1.951 1.882 ( 0.664 2.061 0.048) 2.166 2.022 ( 0.115 -1.849 -0.361) 1.888 2.079 ( 0.939 -1.966 1.090) 2.436 2.144 ( -0.364 -1.758 -0.891) 2.005 2.287 ( 0.014 0.708 0.323) 0.779 2.579 ( 0.920 1.446 1.160) 2.070 2.657 ( 0.270 -2.221 -1.648) 2.779 2.880 ( 0.030 2.450 -0.576) 2.517 3.011 ( 0.219 0.424 4.144) 4.171 3.085 ( 0.321 2.014 -1.817) 2.731 3.105 ( -0.802 3.964 -1.406) 4.281 3.351 ( 0.196 1.292 -0.643) 1.456 4.339 ( -0.240 -1.561 -0.008) 1.580 4.353 ( 0.060 -1.849 0.097) 1.852 4.443 ( -0.903 3.251 -1.116) 3.554 4.514 ( -0.131 0.433 0.131) 0.471 4.638 ( 0.924 2.003 1.057) 2.447 4.653 ( 0.335 1.155 -0.829) 1.461 4.742 ( 0.250 -0.418 0.280) 0.562 4.807 ( 0.048 -0.520 0.141) 0.541 4.857 ( -0.029 3.140 0.197) 3.146 5.031 ( -0.527 -4.176 -0.087) 4.210 5.103 ( -0.326 2.583 -0.538) 2.659 5.236 ( 0.227 1.203 1.080) 1.633 5.303 ( -0.174 -3.789 -1.714) 4.162 5.372 ( -0.941 2.331 -0.329) 2.535 5.547 ( 0.589 2.304 1.034) 2.593 5.582 ( -0.458 0.895 -0.658) 1.201 5.675 ( 0.173 -1.843 3.543) 3.997 5.758 ( -0.196 -2.411 -1.657) 2.932 5.914 ( 0.080 -1.211 0.144) 1.222 6.021 ( 0.119 -2.885 -0.034) 2.887 6.149 ( 0.109 0.121 -0.314) 0.353 6.235 ( -0.140 -2.177 -0.044) 2.181 6.451 ( 0.095 0.323 0.279) 0.437 6.468 ( -0.051 -0.656 -0.401) 0.771======================= Grid point 40 (31/219) =======================q-point: (-0.21 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( -0.123 -0.894 -0.113) 0.909 0.906 ( -0.360 -0.638 0.128) 0.744 1.201 ( 0.047 0.158 0.148) 0.222 1.230 ( -0.122 -0.591 -0.035) 0.604 1.353 ( 0.065 1.777 -0.024) 1.778 1.451 ( 2.823 3.430 -0.010) 4.442 1.544 ( -2.392 8.137 -0.445) 8.493 1.674 ( 0.059 6.615 -0.156) 6.618 1.832 ( -0.158 3.880 1.213) 4.069 1.850 ( 0.516 1.772 -0.967) 2.084 2.070 ( 0.010 -3.150 -0.303) 3.165 2.139 ( 0.751 -2.399 0.928) 2.679 2.187 ( -0.331 -2.309 -0.821) 2.473 2.272 ( -0.101 0.657 0.381) 0.766 2.517 ( 0.245 4.998 -0.718) 5.055 2.697 ( 0.243 -1.386 -0.056) 1.408 2.790 ( 0.023 7.451 -0.027) 7.451 2.986 ( 0.688 5.243 3.842) 6.536 3.013 ( -0.363 4.708 1.343) 4.909 3.038 ( 0.039 0.980 -3.732) 3.859 3.323 ( 0.033 1.450 -1.058) 1.796 4.367 ( -0.295 2.160 0.022) 2.180 4.385 ( -0.134 -1.883 -0.005) 1.888 4.413 ( -0.325 -3.616 -0.565) 3.675 4.502 ( 0.008 1.002 0.052) 1.003 4.598 ( 0.863 2.012 0.754) 2.316 4.615 ( -0.132 2.513 -0.746) 2.625 4.743 ( 0.087 0.488 -0.052) 0.499 4.808 ( 0.008 0.293 0.289) 0.412 4.827 ( -0.136 -0.017 0.023) 0.139 5.044 ( 0.225 2.756 0.208) 2.773 5.086 ( -0.615 -0.343 -0.539) 0.887 5.220 ( -0.183 0.539 0.220) 0.610 5.338 ( -0.458 0.439 0.033) 0.635 5.371 ( 0.126 -2.802 -0.577) 2.863 5.522 ( -0.098 -0.025 0.079) 0.128 5.559 ( -0.120 2.051 0.271) 2.073 5.698 ( -0.045 0.112 1.761) 1.765 5.768 ( 0.020 0.811 -1.257) 1.496 5.963 ( 0.061 -2.979 0.584) 3.036 6.073 ( 0.071 -2.107 -0.132) 2.113 6.142 ( 0.161 0.727 -0.277) 0.794 6.279 ( -0.077 -2.355 0.079) 2.358 6.446 ( 0.056 0.218 0.034) 0.228 6.475 ( 0.010 -0.049 -0.104) 0.116======================= Grid point 41 (32/219) =======================q-point: (-0.14 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( -0.000 0.822 -0.000) 0.822 0.925 ( 0.000 -1.292 0.000) 1.292 1.177 ( -0.000 8.515 -0.000) 8.515 1.193 ( -0.000 0.736 -0.000) 0.736 1.307 ( -0.000 3.621 -0.000) 3.621 1.398 ( -0.000 4.079 -0.000) 4.079 1.407 ( -0.000 1.980 -0.000) 1.980 1.512 ( -0.000 10.061 -0.000) 10.061 1.739 ( -0.000 5.566 -0.000) 5.566 1.802 ( -0.000 3.167 -0.000) 3.167 2.121 ( 0.000 -0.447 0.000) 0.447 2.143 ( -0.000 2.063 -0.000) 2.063 2.198 ( -0.000 0.824 -0.000) 0.824 2.266 ( -0.000 0.695 -0.000) 0.695 2.408 ( -0.000 6.013 -0.000) 6.013 2.613 ( -0.000 10.290 -0.000) 10.290 2.691 ( -0.000 2.358 -0.000) 2.358 2.863 ( -0.000 8.457 -0.000) 8.457 2.865 ( -0.000 9.954 -0.000) 9.954 3.042 ( 0.000 -0.096 0.000) 0.096 3.295 ( -0.000 1.346 -0.000) 1.346 4.307 ( -0.000 3.723 -0.000) 3.723 4.390 ( -0.000 3.455 -0.000) 3.455 4.463 ( -0.000 0.209 -0.000) 0.209 4.501 ( 0.000 -1.233 0.000) 1.233 4.583 ( 0.000 -0.814 0.000) 0.814 4.598 ( 0.000 -1.685 0.000) 1.685 4.722 ( -0.000 2.966 -0.000) 2.966 4.794 ( -0.000 1.592 -0.000) 1.592 4.835 ( 0.000 -0.018 0.000) 0.018 5.005 ( -0.000 0.961 -0.000) 0.961 5.021 ( -0.000 5.962 -0.000) 5.962 5.219 ( 0.000 -0.749 0.000) 0.749 5.342 ( 0.000 -1.014 0.000) 1.014 5.408 ( 0.000 -0.962 0.000) 0.962 5.491 ( -0.000 5.360 -0.000) 5.360 5.549 ( 0.000 -2.731 0.000) 2.731 5.687 ( -0.000 1.012 -0.000) 1.012 5.724 ( -0.000 3.496 -0.000) 3.496 5.982 ( -0.000 1.805 -0.000) 1.805 6.120 ( -0.000 1.594 -0.000) 1.594 6.126 ( 0.000 -4.576 0.000) 4.576 6.315 ( 0.000 -1.088 0.000) 1.088 6.450 ( 0.000 -0.820 0.000) 0.820 6.472 ( -0.000 0.032 -0.000) 0.032======================= Grid point 46 (33/219) =======================q-point: ( 0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.424 ( -1.430 -0.000 -0.047) 1.431 0.436 ( 10.314 0.000 8.198) 13.176 0.505 ( 7.475 0.000 8.168) 11.072 0.519 ( 11.734 0.000 8.540) 14.512 0.894 ( 4.863 0.000 1.382) 5.056 0.960 ( 1.165 0.000 -4.173) 4.333 1.077 ( 1.803 0.000 3.427) 3.873 1.082 ( -2.864 -0.000 -1.363) 3.171 1.157 ( -1.216 -0.000 -0.274) 1.247 1.251 ( -3.354 -0.000 5.387) 6.345 1.496 ( 2.324 0.000 0.048) 2.325 1.531 ( -5.159 -0.000 -2.020) 5.540 1.632 ( -2.009 -0.000 -9.628) 9.835 1.804 ( 4.133 0.000 3.865) 5.659 1.945 ( 0.304 0.000 1.190) 1.228 2.052 ( -0.379 -0.000 -0.618) 0.725 2.169 ( 0.203 0.000 0.236) 0.311 2.340 ( 1.985 0.000 -9.908) 10.105 2.400 ( -1.869 -0.000 -1.596) 2.458 2.586 ( 0.914 0.000 1.989) 2.189 2.611 ( 0.372 0.000 -0.071) 0.378 2.658 ( -1.501 -0.000 8.050) 8.189 2.958 ( -3.200 -0.000 -7.598) 8.245 3.440 ( 1.682 0.000 6.442) 6.658 4.220 ( -0.103 -0.000 -0.003) 0.103 4.313 ( -0.149 -0.000 0.017) 0.150 4.345 ( -0.446 -0.000 -0.015) 0.446 4.681 ( -7.457 -0.000 11.845) 13.997 4.783 ( -2.499 -0.000 4.289) 4.964 4.909 ( 0.527 0.000 -0.946) 1.083 5.002 ( -1.211 -0.000 12.072) 12.133 5.158 ( 0.325 0.000 -0.406) 0.520 5.185 ( -0.356 -0.000 0.047) 0.359 5.206 ( -0.284 -0.000 -0.057) 0.290 5.405 ( -2.171 -0.000 5.653) 6.056 5.508 ( -0.382 -0.000 -0.554) 0.673 5.569 ( -1.424 -0.000 1.132) 1.819 5.705 ( -0.789 -0.000 0.166) 0.806 5.764 ( -4.356 -0.000 3.930) 5.867 6.018 ( -0.210 -0.000 -5.226) 5.231 6.063 ( -0.411 -0.000 -1.457) 1.514 6.378 ( 1.843 0.000 6.626) 6.877 6.528 ( 1.935 0.000 -1.257) 2.307 6.630 ( 0.101 0.000 -0.458) 0.469 6.800 ( 2.526 0.000 -6.061) 6.567======================= Grid point 47 (34/219) =======================q-point: ( 0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.498 ( 9.399 -2.800 0.398) 9.815 0.578 ( 3.456 -7.446 11.194) 13.882 0.848 ( 3.995 -8.536 -0.737) 9.453 0.971 ( 2.372 -12.142 0.872) 12.402 1.031 ( 1.209 -5.018 -1.455) 5.362 1.067 ( 0.270 -1.301 -1.178) 1.775 1.166 ( 2.044 -10.439 9.592) 14.323 1.169 ( -4.889 -9.642 2.748) 11.154 1.396 ( 0.013 -16.144 -5.607) 17.090 1.412 ( -2.193 -16.308 4.773) 17.133 1.496 ( -4.639 -2.116 0.253) 5.106 1.585 ( 1.437 -6.801 -4.887) 8.497 1.879 ( 3.125 -6.777 5.781) 9.440 2.038 ( -0.087 -14.604 0.768) 14.625 2.117 ( -0.145 -5.371 0.091) 5.374 2.192 ( 2.102 -21.193 0.341) 21.300 2.329 ( 0.090 -1.345 -5.941) 6.092 2.365 ( -1.151 -20.749 -5.245) 21.433 2.477 ( -0.145 -4.914 -4.030) 6.357 2.591 ( -0.186 -37.777 -0.743) 37.785 2.675 ( 1.585 -3.627 4.087) 5.690 2.932 ( -3.668 -12.495 -6.465) 14.538 3.442 ( 1.257 -3.513 6.084) 7.137 3.546 ( -13.390 -45.577 -14.532) 49.676 4.254 ( 0.580 -2.935 -0.266) 3.003 4.326 ( 0.036 -1.458 0.169) 1.468 4.377 ( 0.714 -3.200 -0.277) 3.291 4.705 ( -4.022 -2.141 2.345) 5.124 4.785 ( -4.818 -1.537 5.109) 7.189 4.895 ( 0.103 1.455 -0.100) 1.462 4.992 ( -0.853 2.857 9.941) 10.379 5.153 ( 0.209 0.613 0.261) 0.698 5.218 ( 0.058 -3.144 0.336) 3.162 5.234 ( -0.034 -2.334 -1.000) 2.540 5.394 ( -2.037 0.936 5.449) 5.892 5.471 ( 0.120 3.524 -1.241) 3.738 5.555 ( -1.371 0.843 1.424) 2.149 5.675 ( -1.286 2.593 0.941) 3.044 5.722 ( -3.180 2.431 1.170) 4.170 5.985 ( 0.151 1.986 -5.829) 6.160 6.043 ( -0.112 1.155 -0.392) 1.225 6.375 ( 1.619 2.450 6.125) 6.793 6.498 ( 2.145 3.797 -1.635) 4.658 6.605 ( 0.175 2.406 -0.714) 2.516 6.709 ( 2.905 7.633 -3.156) 8.756======================= Grid point 48 (35/219) =======================q-point: ( 0.36 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( 2.697 -7.420 1.864) 8.112 0.754 ( 0.718 -7.239 3.819) 8.216 0.933 ( 0.421 -2.715 -0.018) 2.748 1.080 ( -0.659 -1.901 -2.021) 2.852 1.114 ( -0.531 -4.364 0.428) 4.417 1.152 ( 0.001 -4.694 -0.832) 4.768 1.267 ( -0.895 -5.364 8.934) 10.459 1.397 ( -1.558 -7.263 2.658) 7.890 1.495 ( -1.586 -4.375 -3.336) 5.726 1.651 ( 0.337 -9.359 -4.230) 10.276 1.769 ( 3.922 -19.161 4.944) 20.174 1.865 ( 0.971 -17.578 0.174) 17.606 2.084 ( 2.012 -9.500 4.354) 10.643 2.179 ( 1.824 -1.549 1.762) 2.972 2.286 ( -0.863 -10.552 1.863) 10.750 2.310 ( 1.115 -5.663 -1.801) 6.047 2.344 ( -0.688 -4.453 -7.667) 8.893 2.457 ( -0.675 -2.529 -2.932) 3.930 2.667 ( 1.711 -3.136 2.735) 4.499 2.780 ( -0.667 -2.650 -9.725) 10.102 3.403 ( 1.514 -10.528 6.420) 12.424 3.533 ( -0.159 -40.651 -0.144) 40.652 3.647 ( -3.150 -43.851 1.793) 44.000 4.199 ( -4.535 -26.382 -9.038) 28.253 4.320 ( 0.423 -4.735 -0.722) 4.809 4.370 ( 0.464 -3.015 0.962) 3.199 4.457 ( 1.751 -4.306 -0.811) 4.718 4.691 ( -0.754 2.145 -0.931) 2.457 4.826 ( -6.007 -4.306 -0.465) 7.406 4.861 ( -0.339 1.920 0.767) 2.095 4.935 ( -0.972 4.419 6.121) 7.612 5.135 ( -0.040 1.494 0.402) 1.548 5.274 ( -0.486 -2.936 0.203) 2.983 5.288 ( 0.547 -3.231 0.771) 3.367 5.370 ( -0.445 4.608 -0.550) 4.662 5.400 ( -0.363 -0.136 2.968) 2.993 5.538 ( -0.569 0.713 1.578) 1.823 5.623 ( -1.334 1.361 0.878) 2.099 5.671 ( -1.703 1.477 -0.815) 2.397 5.930 ( 0.880 2.588 -4.200) 5.012 6.029 ( -0.641 0.044 0.370) 0.742 6.338 ( 0.669 2.987 4.043) 5.071 6.403 ( 1.817 6.447 -2.751) 7.241 6.546 ( 0.189 3.400 -1.058) 3.565 6.577 ( 1.227 6.218 -0.210) 6.342======================= Grid point 49 (36/219) =======================q-point: ( 0.43 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.797 ( -1.476 -8.493 3.202) 9.196 0.866 ( -0.071 -4.115 0.798) 4.192 0.983 ( -0.972 -2.913 1.435) 3.390 1.118 ( -1.546 -2.645 -0.860) 3.182 1.180 ( -1.922 -3.588 -1.458) 4.323 1.205 ( -0.891 -2.608 -2.490) 3.714 1.415 ( 1.171 -7.593 8.635) 11.558 1.508 ( 1.418 -4.777 -0.075) 4.983 1.594 ( 0.700 -6.164 -1.779) 6.453 1.777 ( -0.445 -5.336 -2.552) 5.931 2.069 ( 1.413 -7.127 2.690) 7.748 2.145 ( 0.525 -1.277 0.683) 1.540 2.163 ( 1.572 -8.229 -2.126) 8.643 2.241 ( 1.242 -2.927 5.949) 6.745 2.373 ( -0.870 -4.679 0.065) 4.760 2.489 ( 0.979 -11.037 -6.313) 12.752 2.503 ( 0.042 -7.636 2.410) 8.008 2.529 ( -1.868 -6.819 -2.840) 7.620 2.761 ( -0.012 -5.372 1.022) 5.468 2.809 ( -1.355 -4.345 -7.101) 8.434 3.430 ( 0.858 0.872 5.149) 5.292 4.163 ( 0.896 -18.959 -0.319) 18.983 4.352 ( -0.689 -13.183 1.659) 13.305 4.353 ( 0.866 -6.757 0.688) 6.847 4.468 ( 0.300 -13.378 -0.003) 13.381 4.501 ( 0.332 -4.724 -0.735) 4.793 4.591 ( 0.134 -7.937 -1.683) 8.115 4.632 ( -0.579 3.076 -1.029) 3.295 4.826 ( -0.097 1.802 1.589) 2.404 4.844 ( -0.607 0.891 1.847) 2.139 4.891 ( -2.033 -2.419 -2.820) 4.235 5.109 ( 0.873 0.846 1.398) 1.852 5.249 ( -0.695 3.520 -1.483) 3.882 5.339 ( 1.132 -1.385 0.742) 1.936 5.406 ( 0.838 -6.370 -0.368) 6.436 5.446 ( -0.404 -3.893 2.167) 4.474 5.542 ( -0.483 -2.315 0.684) 2.462 5.613 ( -0.103 0.734 -0.200) 0.768 5.662 ( -1.601 -2.320 0.778) 2.924 5.894 ( 1.095 0.486 -2.504) 2.776 6.038 ( -1.310 -1.373 0.478) 1.957 6.256 ( 0.999 6.946 -1.045) 7.095 6.312 ( -0.950 1.956 0.194) 2.183 6.483 ( 0.188 2.614 -0.233) 2.631 6.497 ( 0.165 2.841 -0.136) 2.849======================= Grid point 50 (37/219) =======================q-point: ( 0.50 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( -0.065 -2.177 1.827) 2.843 0.928 ( 0.508 -2.815 -0.912) 3.003 1.073 ( -2.895 -8.002 4.169) 9.476 1.153 ( -0.959 -1.982 0.018) 2.202 1.224 ( -0.436 -1.720 -0.321) 1.803 1.265 ( -2.372 -5.540 -4.449) 7.491 1.573 ( 1.603 -6.023 4.326) 7.587 1.600 ( 1.748 -4.328 0.200) 4.672 1.708 ( 1.505 -5.418 -1.283) 5.767 1.850 ( -1.076 -3.376 -0.380) 3.564 2.072 ( -0.099 4.775 -0.477) 4.800 2.125 ( -0.552 0.772 -0.397) 1.029 2.224 ( -0.209 1.103 -1.840) 2.155 2.322 ( 1.503 -1.563 6.977) 7.306 2.485 ( -0.843 -4.419 2.367) 5.083 2.610 ( -1.050 -4.373 -6.063) 7.549 2.620 ( -0.513 -7.171 -0.502) 7.207 2.703 ( -0.029 -9.278 -1.944) 9.480 2.834 ( -0.919 -3.386 -2.941) 4.578 2.936 ( -1.126 -8.968 0.470) 9.050 3.425 ( 0.428 0.984 4.014) 4.155 4.366 ( 1.072 -4.213 -0.334) 4.360 4.403 ( -0.538 -3.007 0.225) 3.063 4.460 ( 0.449 -3.131 1.120) 3.356 4.494 ( -0.267 1.269 -0.030) 1.297 4.568 ( -0.703 2.434 -0.048) 2.534 4.596 ( 0.399 3.097 -0.319) 3.139 4.721 ( -0.035 -3.531 1.040) 3.681 4.813 ( 0.432 0.816 0.362) 0.991 4.833 ( -0.119 1.162 -2.089) 2.394 4.980 ( -0.092 -4.993 -0.305) 5.003 5.139 ( 0.983 -2.897 3.045) 4.316 5.213 ( -0.198 -0.013 -2.877) 2.884 5.374 ( 1.259 -1.645 0.091) 2.073 5.464 ( 1.901 -0.455 2.689) 3.325 5.514 ( 0.341 -2.158 -0.518) 2.246 5.570 ( -0.223 2.540 -0.351) 2.574 5.627 ( 0.160 -2.845 -1.720) 3.328 5.758 ( -0.220 -6.768 2.789) 7.323 5.913 ( 0.455 -1.849 -2.709) 3.311 6.062 ( -1.307 -1.524 -0.312) 2.032 6.154 ( 0.474 3.520 2.590) 4.395 6.275 ( -1.477 1.283 -2.939) 3.531 6.451 ( -0.039 1.186 0.353) 1.238 6.468 ( -0.064 0.105 -0.188) 0.224======================= Grid point 51 (38/219) =======================q-point: ( 0.57 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 0.244 0.398 1.025) 1.126 0.949 ( 1.002 0.257 -1.339) 1.692 1.179 ( -0.475 -1.212 0.652) 1.456 1.234 ( 0.231 -0.662 -0.173) 0.722 1.260 ( -1.720 -9.330 2.263) 9.753 1.363 ( -1.464 -6.484 -2.349) 7.050 1.660 ( 2.005 -2.086 0.076) 2.895 1.688 ( -0.161 -3.350 0.725) 3.431 1.801 ( 1.117 -3.253 -0.465) 3.470 1.898 ( -0.543 -1.010 2.741) 2.971 1.954 ( -1.367 4.226 -2.521) 5.107 2.123 ( -0.702 -0.763 0.560) 1.179 2.178 ( -0.365 2.399 -1.121) 2.673 2.328 ( 1.098 2.327 4.155) 4.887 2.535 ( -0.190 -1.426 0.968) 1.734 2.636 ( -1.336 -0.716 -2.101) 2.591 2.767 ( -0.669 -7.240 -0.328) 7.279 2.835 ( -1.015 -5.317 -1.239) 5.553 2.888 ( -0.487 -4.255 -3.952) 5.828 3.092 ( -0.404 -6.983 1.337) 7.122 3.414 ( 0.240 1.171 2.519) 2.788 4.388 ( 0.251 0.996 -0.410) 1.106 4.426 ( 0.626 3.444 0.235) 3.509 4.469 ( -0.536 -2.116 -0.005) 2.183 4.518 ( 0.725 -0.225 0.999) 1.255 4.532 ( 0.010 -1.062 -0.246) 1.090 4.597 ( -0.850 -2.827 0.753) 3.047 4.749 ( 0.220 -0.360 1.527) 1.584 4.792 ( -0.061 0.939 -0.310) 0.990 4.805 ( -0.271 0.552 -2.771) 2.839 5.028 ( 0.007 -1.435 -0.093) 1.438 5.182 ( 0.194 -0.109 1.081) 1.103 5.206 ( 0.408 0.783 -0.935) 1.286 5.413 ( 1.408 -1.409 -0.248) 2.007 5.451 ( 0.486 3.365 3.036) 4.558 5.541 ( 0.991 -0.442 -1.135) 1.570 5.550 ( 0.040 -1.952 -0.259) 1.969 5.630 ( 0.141 1.687 -1.727) 2.418 5.844 ( 0.530 -0.676 1.769) 1.967 5.929 ( 0.272 -0.414 -1.116) 1.221 6.086 ( -0.661 -1.282 0.521) 1.533 6.110 ( 0.178 2.874 1.526) 3.259 6.239 ( -1.094 1.116 -2.611) 3.043 6.440 ( -0.080 0.118 0.045) 0.149 6.473 ( -0.140 -0.243 0.043) 0.284======================= Grid point 52 (39/219) =======================q-point: ( 0.64 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( 0.359 1.789 0.551) 1.905 0.936 ( 0.351 1.082 -0.669) 1.320 1.187 ( -0.180 0.119 0.130) 0.252 1.220 ( 0.137 1.184 -0.183) 1.206 1.430 ( 0.142 -6.988 -0.137) 6.990 1.476 ( -0.714 -5.645 -0.254) 5.696 1.649 ( -0.052 3.786 -0.030) 3.787 1.724 ( -0.472 -1.874 -0.003) 1.932 1.807 ( -0.053 0.756 0.081) 0.762 1.908 ( 0.478 -1.611 0.515) 1.758 1.964 ( -0.499 -2.086 -0.180) 2.152 2.128 ( 0.171 1.131 2.304) 2.572 2.144 ( 0.057 0.913 -1.092) 1.425 2.293 ( 0.354 1.422 1.079) 1.819 2.558 ( 0.450 -1.078 0.640) 1.332 2.621 ( -0.908 0.756 -1.239) 1.712 2.866 ( -0.783 -3.424 -1.324) 3.754 2.923 ( -0.559 -4.822 2.958) 5.685 2.975 ( -0.305 -5.467 -4.807) 7.286 3.184 ( -0.117 -2.293 1.029) 2.516 3.396 ( 0.178 1.186 1.047) 1.592 4.357 ( 0.201 2.421 0.167) 2.435 4.360 ( 0.041 2.120 -0.137) 2.124 4.502 ( -0.513 -0.881 -0.104) 1.024 4.515 ( 0.151 -0.226 -0.096) 0.288 4.584 ( 0.337 -2.886 0.234) 2.915 4.654 ( -0.099 -2.446 0.773) 2.568 4.750 ( 0.386 0.603 0.820) 1.088 4.779 ( -0.332 0.053 -0.728) 0.802 4.822 ( -0.393 -2.950 -1.122) 3.181 5.041 ( 0.070 0.821 -0.254) 0.862 5.170 ( 0.112 1.106 0.862) 1.407 5.187 ( 0.132 0.260 -0.555) 0.627 5.360 ( -0.022 4.604 0.195) 4.608 5.472 ( 0.928 -2.933 0.672) 3.149 5.519 ( -0.285 4.117 -0.204) 4.132 5.591 ( 0.135 -2.263 -0.367) 2.297 5.626 ( 0.851 -2.555 -0.192) 2.700 5.790 ( 0.091 6.044 -0.086) 6.045 5.944 ( 0.395 -0.829 0.789) 1.210 6.025 ( 0.073 4.889 0.655) 4.933 6.121 ( -0.336 -1.682 -0.279) 1.737 6.210 ( -0.565 0.950 -1.069) 1.538 6.442 ( -0.059 -0.337 -0.016) 0.342 6.470 ( -0.076 0.394 -0.019) 0.402======================= Grid point 53 (40/219) =======================q-point: (-0.29 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( 0.093 1.297 0.124) 1.307 0.914 ( -0.102 0.982 -0.098) 0.992 1.185 ( -0.119 -0.317 -0.040) 0.341 1.203 ( 0.044 0.498 0.022) 0.501 1.465 ( 0.304 3.089 -0.934) 3.241 1.528 ( -0.737 -0.192 0.360) 0.843 1.646 ( 0.118 -3.859 0.138) 3.864 1.782 ( 0.325 -3.184 0.299) 3.214 1.790 ( -0.411 0.448 -0.326) 0.690 1.920 ( 0.257 0.968 0.386) 1.073 1.993 ( -0.079 -1.344 -0.086) 1.349 2.092 ( 0.627 2.358 1.164) 2.703 2.130 ( -0.164 0.233 -0.491) 0.568 2.291 ( 0.012 -0.325 0.102) 0.340 2.586 ( 0.879 -1.079 1.647) 2.157 2.617 ( -0.549 -1.195 -1.783) 2.215 2.896 ( -0.297 -0.466 -0.751) 0.933 3.000 ( -0.122 -2.398 2.019) 3.137 3.056 ( -0.137 -3.529 -2.429) 4.286 3.180 ( -0.091 2.657 0.485) 2.703 3.375 ( 0.117 1.210 0.136) 1.223 4.326 ( -0.106 0.443 -0.003) 0.456 4.339 ( 0.055 0.303 -0.000) 0.308 4.492 ( -0.325 1.901 -0.368) 1.963 4.517 ( -0.018 -0.102 0.046) 0.114 4.637 ( 0.269 -2.114 0.220) 2.143 4.674 ( 0.118 0.451 0.094) 0.476 4.740 ( 0.099 0.348 0.160) 0.395 4.790 ( -0.001 -1.129 -0.018) 1.130 4.886 ( -0.141 -2.750 -0.120) 2.756 4.990 ( -0.045 2.685 -0.144) 2.690 5.145 ( -0.024 1.809 0.012) 1.809 5.222 ( 0.052 -3.444 0.129) 3.447 5.284 ( -0.086 3.135 -0.272) 3.148 5.430 ( -0.390 4.145 -0.411) 4.183 5.541 ( 0.570 -3.207 0.603) 3.312 5.636 ( 0.107 -2.490 0.526) 2.548 5.655 ( -0.258 6.594 -0.260) 6.604 5.695 ( 0.240 -3.401 0.095) 3.411 5.931 ( 0.121 2.716 0.110) 2.720 5.981 ( 0.018 -1.167 0.106) 1.172 6.144 ( -0.035 -0.704 -0.129) 0.717 6.203 ( -0.181 -0.811 -0.252) 0.869 6.451 ( 0.011 -0.656 0.148) 0.672 6.461 ( -0.042 0.439 -0.201) 0.484======================= Grid point 54 (41/219) =======================q-point: (-0.21 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( 0.000 -0.678 0.000) 0.678 0.902 ( -0.000 0.250 -0.000) 0.250 1.201 ( 0.000 -0.109 0.000) 0.109 1.204 ( 0.000 -1.565 0.000) 1.565 1.398 ( -0.000 3.130 -0.000) 3.130 1.503 ( -0.000 2.137 -0.000) 2.137 1.668 ( -0.000 3.691 -0.000) 3.691 1.752 ( -0.000 1.856 -0.000) 1.856 1.855 ( 0.000 -1.854 0.000) 1.854 1.886 ( -0.000 2.064 -0.000) 2.064 2.022 ( 0.000 -1.888 0.000) 1.888 2.088 ( 0.000 -1.891 0.000) 1.891 2.139 ( 0.000 -1.678 0.000) 1.678 2.288 ( -0.000 0.703 -0.000) 0.703 2.588 ( -0.000 1.986 -0.000) 1.986 2.653 ( 0.000 -2.726 0.000) 2.726 2.879 ( -0.000 2.227 -0.000) 2.227 3.023 ( 0.000 -0.155 0.000) 0.155 3.078 ( -0.000 1.089 -0.000) 1.089 3.100 ( -0.000 5.182 -0.000) 5.182 3.351 ( -0.000 1.433 -0.000) 1.433 4.338 ( 0.000 -1.564 0.000) 1.564 4.354 ( 0.000 -1.940 0.000) 1.940 4.436 ( -0.000 3.484 -0.000) 3.484 4.514 ( -0.000 0.417 -0.000) 0.417 4.646 ( -0.000 2.233 -0.000) 2.233 4.651 ( -0.000 0.843 -0.000) 0.843 4.744 ( 0.000 -0.443 0.000) 0.443 4.807 ( 0.000 -0.483 0.000) 0.483 4.857 ( -0.000 3.212 -0.000) 3.212 5.027 ( 0.000 -4.421 0.000) 4.421 5.100 ( -0.000 2.822 -0.000) 2.822 5.239 ( -0.000 1.533 -0.000) 1.533 5.298 ( 0.000 -4.072 0.000) 4.072 5.367 ( -0.000 2.291 -0.000) 2.291 5.553 ( -0.000 3.477 -0.000) 3.477 5.577 ( 0.000 -0.177 0.000) 0.177 5.685 ( 0.000 -1.936 0.000) 1.936 5.752 ( 0.000 -2.109 0.000) 2.109 5.915 ( 0.000 -1.321 0.000) 1.321 6.022 ( 0.000 -2.850 0.000) 2.850 6.149 ( -0.000 0.085 -0.000) 0.085 6.234 ( 0.000 -2.230 0.000) 2.230 6.452 ( -0.000 0.382 -0.000) 0.382 6.466 ( 0.000 -0.739 0.000) 0.739======================= Grid point 61 (42/219) =======================q-point: ( 0.29 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.408 ( -1.465 -0.000 -0.400) 1.519 0.567 ( 7.408 0.000 11.214) 13.440 0.593 ( 7.728 0.000 -0.628) 7.753 0.663 ( 9.951 0.000 8.000) 12.768 0.952 ( 4.635 0.000 2.813) 5.422 0.954 ( 1.603 0.000 -4.637) 4.906 1.048 ( -2.784 -0.000 -1.269) 3.060 1.098 ( 0.098 0.000 0.601) 0.609 1.140 ( -1.898 -0.000 -0.478) 1.957 1.267 ( -0.931 -0.000 12.964) 12.998 1.466 ( -5.646 -0.000 -3.156) 6.468 1.519 ( 2.172 0.000 0.110) 2.175 1.570 ( -2.242 -0.000 -8.445) 8.738 1.864 ( 4.017 0.000 4.599) 6.106 1.951 ( 0.008 0.000 0.834) 0.834 2.046 ( -0.251 -0.000 -0.448) 0.514 2.173 ( 0.275 0.000 0.247) 0.370 2.305 ( 1.108 0.000 -12.540) 12.589 2.381 ( -0.810 -0.000 -1.066) 1.338 2.592 ( -1.111 -0.000 2.008) 2.295 2.615 ( 0.376 0.000 -0.075) 0.383 2.683 ( 0.374 0.000 5.336) 5.349 2.894 ( -3.067 -0.000 -7.418) 8.027 3.483 ( 1.802 0.000 5.170) 5.475 4.219 ( -0.101 -0.000 -0.004) 0.101 4.311 ( -0.141 -0.000 0.006) 0.141 4.341 ( -0.453 -0.000 -0.002) 0.453 4.662 ( -4.886 -0.000 7.021) 8.554 4.776 ( -2.043 -0.000 2.750) 3.426 4.910 ( 0.225 0.000 -0.466) 0.518 5.043 ( -0.303 -0.000 9.855) 9.860 5.162 ( 0.586 0.000 0.264) 0.643 5.182 ( -0.363 -0.000 0.035) 0.364 5.203 ( -0.286 -0.000 -0.046) 0.289 5.407 ( -1.440 -0.000 3.763) 4.029 5.501 ( -0.290 -0.000 -0.905) 0.950 5.558 ( -1.864 -0.000 1.006) 2.118 5.697 ( -1.087 -0.000 0.428) 1.168 5.733 ( -4.108 -0.000 1.232) 4.289 5.991 ( 0.160 0.000 -6.219) 6.221 6.056 ( -0.131 -0.000 -0.852) 0.862 6.423 ( 1.373 0.000 6.014) 6.168 6.547 ( 2.141 0.000 0.917) 2.329 6.628 ( 0.243 0.000 -0.657) 0.701 6.796 ( 1.795 0.000 -5.549) 5.832======================= Grid point 62 (43/219) =======================q-point: ( 0.36 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 7.325 -0.928 0.658) 7.413 0.658 ( 4.327 -3.963 7.845) 9.797 0.885 ( 3.631 -4.614 0.223) 5.876 0.987 ( 1.237 -13.847 -0.481) 13.910 1.041 ( 1.123 -3.768 -0.699) 3.994 1.062 ( -0.594 0.328 -0.677) 0.959 1.143 ( -3.164 -11.257 5.511) 12.926 1.216 ( 0.741 -10.974 5.377) 12.243 1.367 ( -0.659 -14.265 -5.872) 15.441 1.423 ( -2.494 -9.649 4.496) 10.933 1.462 ( -1.569 -12.489 4.171) 13.261 1.577 ( 1.370 -8.847 -4.918) 10.215 1.933 ( 2.681 -7.790 5.218) 9.752 2.040 ( -0.059 -13.865 0.378) 13.870 2.114 ( -0.232 -5.959 -0.007) 5.963 2.212 ( 1.365 -35.230 0.205) 35.257 2.291 ( 0.151 -1.207 -10.805) 10.873 2.344 ( -0.550 -8.269 -0.521) 8.303 2.456 ( -0.694 -4.825 -3.884) 6.233 2.586 ( -0.167 -37.589 -0.555) 37.594 2.704 ( 1.067 -1.824 3.107) 3.758 2.876 ( -2.811 -12.594 -4.327) 13.610 3.378 ( -8.757 -46.831 -7.960) 48.303 3.489 ( 1.384 1.102 4.285) 4.635 4.258 ( 0.489 -3.275 -0.081) 3.312 4.328 ( 0.159 -1.818 0.236) 1.840 4.381 ( 0.422 -3.935 -0.517) 3.991 4.680 ( -3.290 -2.239 2.784) 4.857 4.763 ( -2.967 0.506 2.379) 3.837 4.895 ( -0.037 1.426 0.207) 1.442 5.026 ( -0.136 3.379 7.914) 8.606 5.158 ( 0.383 0.774 0.663) 1.089 5.220 ( 0.024 -3.398 0.409) 3.423 5.229 ( -0.054 -2.342 -1.298) 2.678 5.399 ( -1.281 0.767 4.563) 4.801 5.467 ( 0.147 3.299 -1.369) 3.575 5.544 ( -1.956 0.406 0.711) 2.121 5.664 ( -1.946 2.730 1.386) 3.628 5.695 ( -2.003 1.834 -1.242) 2.987 5.964 ( 0.574 1.517 -5.174) 5.423 6.041 ( -0.052 1.043 -0.416) 1.124 6.414 ( 1.032 2.650 5.469) 6.164 6.515 ( 2.114 4.506 -0.157) 4.979 6.603 ( 0.266 2.508 -0.831) 2.656 6.717 ( 1.764 6.834 -3.367) 7.820======================= Grid point 63 (44/219) =======================q-point: ( 0.43 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( 2.976 -5.008 2.155) 6.211 0.773 ( 0.463 -5.230 2.042) 5.633 0.941 ( 0.890 -1.556 0.790) 1.959 1.064 ( -0.941 -1.636 -1.202) 2.238 1.103 ( -1.876 -3.250 0.011) 3.752 1.147 ( -0.165 -3.991 -0.897) 4.094 1.308 ( 0.597 -6.736 10.265) 12.292 1.397 ( -0.527 -7.346 1.778) 7.577 1.467 ( -1.295 -6.230 -3.050) 7.057 1.626 ( -0.511 -9.789 -6.349) 11.679 1.828 ( 2.903 -18.566 6.043) 19.740 1.875 ( 1.112 -17.696 -0.510) 17.739 2.127 ( 2.136 -7.739 5.576) 9.775 2.198 ( 1.153 -3.061 0.523) 3.312 2.279 ( -1.516 -12.053 0.489) 12.158 2.302 ( -0.582 -3.219 -8.053) 8.692 2.325 ( 2.446 -3.839 -0.310) 4.562 2.434 ( -1.334 -3.142 -2.793) 4.410 2.687 ( 0.185 -3.426 1.210) 3.638 2.742 ( 0.435 -1.199 -6.275) 6.404 3.443 ( 1.467 -12.824 5.240) 13.931 3.530 ( -0.218 -39.478 -0.457) 39.481 3.623 ( -2.789 -45.159 1.185) 45.260 4.119 ( -3.820 -32.910 -7.388) 33.944 4.322 ( 0.344 -3.761 -0.185) 3.781 4.382 ( 0.806 -3.093 1.405) 3.491 4.464 ( 0.704 -4.051 -1.537) 4.390 4.682 ( -0.329 2.094 -0.683) 2.227 4.772 ( -5.020 -4.015 0.874) 6.488 4.862 ( -0.191 1.950 0.696) 2.079 4.953 ( -0.218 5.574 4.664) 7.271 5.137 ( 0.028 1.584 0.359) 1.625 5.268 ( -0.582 -3.736 -0.546) 3.820 5.301 ( 0.887 -2.788 1.383) 3.236 5.364 ( -0.359 4.534 -0.439) 4.569 5.410 ( 0.075 -0.002 2.245) 2.246 5.538 ( -0.725 -0.153 1.159) 1.376 5.613 ( -1.413 0.934 0.788) 1.867 5.651 ( -0.914 1.484 -1.659) 2.406 5.924 ( 1.061 1.973 -3.117) 3.838 6.025 ( -0.421 0.306 0.166) 0.546 6.362 ( 0.264 4.268 4.499) 6.206 6.408 ( 1.580 6.917 -3.027) 7.713 6.543 ( 0.046 3.397 -1.040) 3.553 6.586 ( 0.843 6.378 -0.324) 6.442======================= Grid point 64 (45/219) =======================q-point: ( 0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 0.209 -7.359 3.874) 8.319 0.867 ( -0.143 -4.276 -0.111) 4.280 0.976 ( -1.501 -2.645 1.234) 3.282 1.102 ( -1.022 -2.735 -0.654) 2.992 1.153 ( -1.523 -3.204 -2.397) 4.281 1.189 ( -0.691 -2.096 -1.102) 2.467 1.466 ( 1.513 -6.905 7.870) 10.578 1.518 ( 0.913 -5.482 -0.199) 5.561 1.595 ( 0.587 -6.986 -0.830) 7.060 1.755 ( -0.887 -5.898 -4.192) 7.290 2.093 ( 1.180 -5.146 2.301) 5.759 2.153 ( 0.315 -0.089 1.087) 1.135 2.166 ( 0.932 -7.377 -1.939) 7.685 2.281 ( 0.862 -4.043 6.610) 7.796 2.362 ( -0.527 -5.634 -1.944) 5.983 2.471 ( 1.204 -8.064 -5.726) 9.963 2.492 ( -1.763 -8.740 -2.311) 9.211 2.522 ( 0.006 -8.143 2.140) 8.420 2.763 ( -0.140 -3.451 0.460) 3.484 2.773 ( -0.886 -5.770 -4.042) 7.100 3.455 ( 0.582 1.112 3.211) 3.448 4.170 ( 0.660 -19.338 -0.135) 19.349 4.349 ( -0.264 -4.043 0.196) 4.056 4.373 ( 1.272 -17.202 2.645) 17.450 4.466 ( -0.387 -10.431 -1.019) 10.488 4.501 ( 0.379 -6.116 -0.543) 6.151 4.579 ( -0.829 -9.560 -1.834) 9.769 4.622 ( -0.419 3.031 -0.798) 3.162 4.829 ( -0.361 0.775 0.621) 1.057 4.844 ( -1.080 -1.461 2.201) 2.854 4.866 ( -0.571 -0.239 -2.117) 2.205 5.119 ( 0.279 -0.335 0.650) 0.783 5.240 ( -0.202 4.497 -0.475) 4.526 5.355 ( 1.129 -1.279 0.868) 1.914 5.409 ( 0.275 -8.701 -0.763) 8.739 5.452 ( -0.117 -3.322 1.656) 3.714 5.544 ( 0.071 -1.454 0.906) 1.714 5.610 ( -0.250 1.094 -0.255) 1.150 5.650 ( -1.199 -3.508 0.020) 3.708 5.898 ( 1.301 0.540 -1.170) 1.832 6.029 ( -0.831 -1.027 0.280) 1.350 6.261 ( 0.871 6.598 -0.816) 6.705 6.301 ( -1.149 3.443 -0.000) 3.630 6.484 ( 0.111 2.304 -0.210) 2.316 6.498 ( 0.109 3.225 -0.079) 3.228======================= Grid point 65 (46/219) =======================q-point: ( 0.57 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -0.049 -1.838 1.143) 2.165 0.930 ( 0.595 -3.077 -0.329) 3.151 1.069 ( -1.484 -8.191 3.437) 9.006 1.147 ( -0.467 -2.423 0.126) 2.471 1.213 ( -1.117 -4.010 -2.379) 4.794 1.230 ( -0.947 -3.530 -1.767) 4.060 1.602 ( 0.924 -5.248 3.083) 6.156 1.615 ( 1.205 -4.209 -0.001) 4.378 1.717 ( 0.995 -5.543 -0.522) 5.656 1.837 ( -0.880 -4.039 -0.984) 4.249 2.071 ( 0.043 5.768 0.079) 5.769 2.119 ( -0.298 1.116 -0.267) 1.186 2.215 ( -0.190 1.269 -1.110) 1.696 2.363 ( 0.994 -1.067 5.632) 5.818 2.486 ( -0.428 -4.726 0.614) 4.785 2.576 ( -0.816 -4.263 -4.655) 6.364 2.608 ( -0.773 -8.026 -1.112) 8.139 2.702 ( 0.404 -8.040 -0.422) 8.061 2.818 ( -0.489 -3.025 -1.262) 3.314 2.929 ( -0.661 -9.670 0.297) 9.697 3.442 ( 0.226 1.142 2.086) 2.389 4.373 ( 0.656 -3.939 -0.206) 3.998 4.399 ( -0.417 -2.853 0.133) 2.886 4.471 ( 0.670 -2.580 0.954) 2.831 4.490 ( -0.542 -0.035 -0.298) 0.620 4.561 ( -0.498 2.344 -0.168) 2.402 4.599 ( 0.282 3.308 -0.184) 3.325 4.726 ( 0.096 -3.584 0.954) 3.710 4.817 ( 0.052 1.040 0.549) 1.177 4.823 ( -0.022 1.529 -1.884) 2.426 4.978 ( -0.052 -5.621 -0.172) 5.624 5.158 ( 0.391 -2.457 2.298) 3.387 5.199 ( -0.084 -0.535 -2.244) 2.309 5.386 ( 0.834 -1.664 0.230) 1.875 5.492 ( 1.467 -1.135 2.094) 2.797 5.514 ( 0.259 -1.916 -0.651) 2.040 5.564 ( -0.607 2.932 -0.564) 3.047 5.623 ( 0.111 -3.036 -0.767) 3.134 5.766 ( -0.161 -7.766 1.445) 7.901 5.910 ( 0.521 -1.052 -1.288) 1.743 6.051 ( -0.721 -1.469 -0.191) 1.648 6.173 ( 0.987 3.119 2.918) 4.384 6.245 ( -1.706 1.435 -3.267) 3.955 6.452 ( -0.012 1.351 0.221) 1.369 6.466 ( -0.042 0.034 -0.142) 0.151======================= Grid point 66 (47/219) =======================q-point: ( 0.64 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.935 ( 0.050 0.279 0.470) 0.549 0.951 ( 0.372 0.333 -0.603) 0.783 1.179 ( -0.124 -1.250 0.358) 1.306 1.235 ( 0.133 0.035 -0.298) 0.328 1.258 ( -0.529 -9.926 1.382) 10.036 1.342 ( -0.761 -7.606 -1.329) 7.759 1.677 ( 1.350 -1.766 -0.111) 2.226 1.687 ( -0.566 -2.494 0.433) 2.594 1.808 ( 0.492 -3.080 -0.122) 3.121 1.902 ( -0.318 -3.057 1.311) 3.341 1.936 ( -0.462 6.026 -1.207) 6.163 2.119 ( -0.275 -1.172 0.142) 1.212 2.172 ( -0.122 2.299 -0.393) 2.335 2.351 ( 0.476 2.940 1.929) 3.549 2.537 ( 0.051 -1.580 0.158) 1.588 2.617 ( -0.720 -1.125 -1.052) 1.700 2.761 ( -0.268 -7.279 -0.150) 7.286 2.825 ( -0.368 -5.567 -0.303) 5.588 2.874 ( -0.137 -3.741 -1.418) 4.003 3.094 ( -0.145 -7.180 0.446) 7.195 3.423 ( 0.077 1.303 0.867) 1.567 4.388 ( 0.087 1.125 -0.158) 1.139 4.431 ( 0.185 2.967 0.071) 2.974 4.466 ( -0.177 -1.617 -0.004) 1.627 4.525 ( 0.206 1.292 0.316) 1.346 4.532 ( 0.088 -2.553 -0.042) 2.555 4.593 ( -0.309 -3.095 0.287) 3.123 4.758 ( 0.248 -0.608 1.232) 1.396 4.789 ( -0.414 1.290 -0.533) 1.456 4.793 ( 0.119 0.667 -1.282) 1.450 5.028 ( 0.009 -1.308 -0.028) 1.308 5.185 ( -0.028 0.031 0.174) 0.179 5.208 ( 0.218 0.565 -0.115) 0.616 5.422 ( 0.525 -1.215 -0.075) 1.326 5.463 ( 0.138 4.149 1.081) 4.290 5.545 ( 0.477 -1.365 -0.497) 1.529 5.550 ( -0.058 -1.909 0.018) 1.910 5.626 ( 0.062 1.817 -0.593) 1.913 5.853 ( 0.192 -0.276 0.621) 0.706 5.928 ( 0.122 -1.016 -0.357) 1.083 6.082 ( -0.317 -2.052 0.005) 2.077 6.120 ( 0.336 4.237 1.152) 4.403 6.220 ( -0.624 0.386 -1.411) 1.591 6.439 ( -0.028 0.151 0.016) 0.154 6.472 ( -0.051 -0.241 0.011) 0.247======================= Grid point 67 (48/219) =======================q-point: ( 0.71 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( -0.000 1.818 -0.000) 1.818 0.936 ( -0.000 1.139 -0.000) 1.139 1.186 ( -0.000 0.181 -0.000) 0.181 1.220 ( -0.000 1.145 -0.000) 1.145 1.430 ( 0.000 -7.235 0.000) 7.235 1.471 ( 0.000 -5.545 0.000) 5.545 1.649 ( -0.000 4.154 -0.000) 4.154 1.721 ( 0.000 -1.993 0.000) 1.993 1.807 ( -0.000 0.847 -0.000) 0.847 1.911 ( 0.000 -1.656 0.000) 1.656 1.961 ( 0.000 -2.293 0.000) 2.293 2.136 ( -0.000 0.542 -0.000) 0.542 2.140 ( -0.000 0.967 -0.000) 0.967 2.297 ( -0.000 1.889 -0.000) 1.889 2.564 ( 0.000 -1.408 0.000) 1.408 2.612 ( -0.000 0.750 -0.000) 0.750 2.859 ( 0.000 -3.270 0.000) 3.270 2.929 ( 0.000 -5.149 0.000) 5.149 2.960 ( 0.000 -5.434 0.000) 5.434 3.186 ( 0.000 -2.317 0.000) 2.317 3.399 ( -0.000 1.262 -0.000) 1.262 4.359 ( -0.000 1.551 -0.000) 1.551 4.359 ( -0.000 3.101 -0.000) 3.101 4.498 ( 0.000 -0.837 0.000) 0.837 4.515 ( 0.000 -0.158 0.000) 0.158 4.587 ( 0.000 -2.899 0.000) 2.899 4.655 ( 0.000 -2.556 0.000) 2.556 4.754 ( -0.000 0.858 -0.000) 0.858 4.775 ( 0.000 -0.117 0.000) 0.117 4.817 ( 0.000 -3.075 0.000) 3.075 5.041 ( -0.000 0.751 -0.000) 0.751 5.172 ( -0.000 1.099 -0.000) 1.099 5.187 ( -0.000 0.375 -0.000) 0.375 5.360 ( -0.000 4.703 -0.000) 4.703 5.479 ( 0.000 -2.983 0.000) 2.983 5.517 ( -0.000 4.513 -0.000) 4.513 5.591 ( 0.000 -2.340 0.000) 2.340 5.630 ( 0.000 -2.831 0.000) 2.831 5.790 ( -0.000 6.245 -0.000) 6.245 5.948 ( 0.000 -0.943 0.000) 0.943 6.027 ( -0.000 5.181 -0.000) 5.181 6.119 ( 0.000 -1.804 0.000) 1.804 6.204 ( -0.000 0.775 -0.000) 0.775 6.442 ( 0.000 -0.344 0.000) 0.344 6.470 ( -0.000 0.397 -0.000) 0.397======================= Grid point 77 (49/219) =======================q-point: ( 0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.393 ( -1.200 -0.000 -0.402) 1.265 0.648 ( 3.905 0.000 2.329) 4.547 0.686 ( 7.918 0.000 4.991) 9.360 0.783 ( 7.670 0.000 6.823) 10.265 0.951 ( 1.543 0.000 -3.857) 4.154 1.006 ( 4.305 0.000 1.946) 4.724 1.018 ( -1.882 -0.000 -1.661) 2.510 1.087 ( -1.481 -0.000 -0.947) 1.758 1.116 ( -2.578 -0.000 -0.514) 2.629 1.334 ( -0.623 -0.000 16.037) 16.049 1.395 ( -4.860 -0.000 -2.926) 5.673 1.520 ( -0.827 -0.000 -7.084) 7.132 1.538 ( 1.651 0.000 0.121) 1.655 1.918 ( 3.193 0.000 3.178) 4.505 1.952 ( -0.267 -0.000 0.343) 0.434 2.043 ( -0.059 -0.000 -0.173) 0.183 2.176 ( 0.272 0.000 0.210) 0.344 2.259 ( 0.469 0.000 -11.294) 11.304 2.371 ( -0.247 -0.000 -1.491) 1.512 2.586 ( -1.612 -0.000 1.508) 2.207 2.618 ( 0.303 0.000 -0.064) 0.310 2.708 ( 0.482 0.000 4.169) 4.197 2.836 ( -2.376 -0.000 -6.536) 6.955 3.519 ( 1.473 0.000 3.542) 3.836 4.218 ( -0.080 -0.000 -0.004) 0.080 4.310 ( -0.105 -0.000 -0.003) 0.105 4.337 ( -0.371 -0.000 0.007) 0.371 4.647 ( -3.089 -0.000 4.324) 5.314 4.768 ( -1.432 -0.000 1.447) 2.036 4.910 ( -0.005 -0.000 -0.222) 0.222 5.080 ( 0.267 0.000 6.755) 6.760 5.172 ( 0.711 0.000 1.319) 1.499 5.179 ( -0.295 -0.000 0.020) 0.296 5.200 ( -0.231 -0.000 -0.029) 0.233 5.411 ( -0.721 -0.000 3.181) 3.261 5.495 ( -0.207 -0.000 -0.871) 0.896 5.537 ( -2.826 -0.000 -0.536) 2.876 5.686 ( -2.088 -0.000 1.204) 2.410 5.701 ( -1.670 -0.000 -1.464) 2.221 5.970 ( 0.563 0.000 -4.723) 4.757 6.052 ( -0.053 -0.000 -0.673) 0.675 6.455 ( 0.725 0.000 3.810) 3.878 6.575 ( 1.456 0.000 2.575) 2.958 6.632 ( 0.978 0.000 -0.099) 0.983 6.787 ( 0.968 0.000 -5.096) 5.188======================= Grid point 78 (50/219) =======================q-point: ( 0.43 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.644 ( 4.205 -0.302 0.194) 4.220 0.727 ( 3.649 -0.853 4.578) 5.916 0.921 ( 3.513 -4.414 -0.009) 5.642 0.997 ( 1.084 -12.340 0.032) 12.388 1.035 ( -1.735 -2.438 -0.312) 3.009 1.053 ( -0.798 -0.306 0.336) 0.918 1.164 ( 1.252 -10.998 7.196) 13.202 1.228 ( -0.539 -12.121 0.388) 12.140 1.335 ( -1.028 -11.161 -4.374) 12.032 1.384 ( -4.238 -10.196 -2.170) 11.253 1.507 ( 0.931 -15.799 10.660) 19.082 1.571 ( 1.690 -10.247 -4.093) 11.163 1.972 ( 1.432 -11.513 3.101) 12.009 2.042 ( 0.221 -11.351 0.251) 11.356 2.113 ( -0.144 -6.344 0.076) 6.346 2.219 ( 0.256 -45.663 -0.342) 45.665 2.247 ( 0.141 -1.389 -9.328) 9.432 2.347 ( 0.790 1.312 1.198) 1.944 2.430 ( -1.263 -3.328 -3.444) 4.953 2.583 ( -0.102 -37.757 -0.311) 37.758 2.723 ( 0.525 -0.705 2.115) 2.291 2.839 ( -1.670 -11.964 -2.586) 12.354 3.284 ( -5.034 -44.263 -4.297) 44.756 3.518 ( 1.052 1.121 2.802) 3.196 4.262 ( 0.324 -3.517 -0.004) 3.532 4.331 ( 0.216 -2.355 0.245) 2.378 4.381 ( 0.122 -4.209 -0.517) 4.243 4.665 ( -2.058 -2.193 2.211) 3.733 4.746 ( -1.754 1.608 0.808) 2.513 4.896 ( -0.081 1.339 0.268) 1.368 5.056 ( 0.245 3.694 5.224) 6.403 5.166 ( 0.357 1.073 1.197) 1.647 5.219 ( -0.317 -1.777 -0.897) 2.016 5.225 ( 0.205 -4.018 -0.301) 4.035 5.410 ( -0.382 0.599 4.519) 4.574 5.462 ( 0.183 3.150 -1.526) 3.505 5.520 ( -2.707 -0.348 -1.080) 2.935 5.650 ( -1.712 2.556 0.759) 3.168 5.677 ( -0.434 1.532 -1.322) 2.070 5.952 ( 0.637 1.207 -3.298) 3.569 6.039 ( -0.039 0.985 -0.366) 1.051 6.441 ( 0.447 2.458 3.324) 4.158 6.536 ( 1.453 5.233 1.048) 5.531 6.604 ( 0.563 3.036 -0.504) 3.129 6.716 ( 0.800 6.033 -2.913) 6.748======================= Grid point 79 (51/219) =======================q-point: ( 0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( 1.853 -4.429 1.479) 5.024 0.782 ( 0.205 -3.389 0.543) 3.439 0.957 ( 1.349 0.322 0.985) 1.701 1.052 ( -0.663 -1.670 -0.470) 1.858 1.081 ( -2.242 -3.366 -0.126) 4.046 1.142 ( -0.065 -3.401 -0.622) 3.458 1.362 ( 1.397 -7.238 8.528) 11.272 1.400 ( -0.140 -6.972 0.921) 7.033 1.445 ( -0.806 -8.172 -2.023) 8.457 1.590 ( -0.912 -9.944 -6.088) 11.696 1.873 ( 1.040 -17.719 5.013) 18.444 1.881 ( 1.151 -17.932 -1.292) 18.015 2.171 ( 1.442 -5.933 5.984) 8.549 2.210 ( 1.145 -4.332 -0.657) 4.529 2.257 ( -0.585 -7.754 -5.064) 9.279 2.271 ( -1.190 -8.308 -1.858) 8.596 2.350 ( 2.273 -2.823 0.521) 3.661 2.407 ( -1.726 -3.342 -2.141) 4.328 2.682 ( -0.619 -3.329 -1.101) 3.561 2.735 ( 0.881 -0.569 -1.553) 1.874 3.477 ( 1.340 -12.532 3.901) 13.193 3.524 ( -0.486 -39.423 -1.143) 39.442 3.604 ( -1.761 -47.637 0.401) 47.671 4.064 ( -2.105 -35.745 -4.006) 36.030 4.324 ( 0.154 -3.516 -0.073) 3.520 4.396 ( 0.756 -3.271 1.305) 3.602 4.460 ( -0.092 -3.441 -1.485) 3.749 4.679 ( 0.215 2.634 -0.436) 2.678 4.736 ( -2.955 -4.155 0.897) 5.176 4.863 ( -0.105 1.931 0.424) 1.980 4.969 ( 0.020 6.273 2.589) 6.786 5.139 ( 0.032 1.806 0.249) 1.824 5.260 ( -0.414 -4.173 -0.499) 4.223 5.315 ( 0.755 -3.554 1.154) 3.812 5.358 ( -0.336 5.159 -0.540) 5.198 5.420 ( 0.187 0.151 1.435) 1.455 5.533 ( -0.839 -1.590 0.289) 1.821 5.604 ( -0.726 0.801 0.317) 1.127 5.640 ( -0.251 1.726 -0.988) 2.005 5.923 ( 0.718 1.443 -1.605) 2.274 6.022 ( -0.218 0.444 0.034) 0.496 6.381 ( -0.203 4.871 3.956) 6.279 6.408 ( 1.196 7.731 -2.967) 8.367 6.539 ( -0.012 3.410 -0.675) 3.476 6.591 ( 0.410 6.284 -0.233) 6.301======================= Grid point 80 (52/219) =======================q-point: ( 0.57 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 0.759 -6.770 2.596) 7.291 0.861 ( -0.368 -4.818 -1.004) 4.936 0.967 ( -0.868 -2.056 0.467) 2.280 1.093 ( -0.330 -2.758 -0.242) 2.788 1.134 ( -0.552 -2.669 -1.112) 2.944 1.181 ( -0.278 -2.135 -0.324) 2.177 1.505 ( 0.784 -6.058 3.625) 7.103 1.524 ( 0.317 -5.893 -0.097) 5.903 1.597 ( 0.221 -7.481 -0.204) 7.487 1.731 ( -0.530 -6.565 -2.421) 7.017 2.109 ( 0.487 -3.966 0.936) 4.104 2.160 ( 0.046 0.694 1.160) 1.353 2.165 ( 0.367 -6.950 -1.396) 7.099 2.312 ( 0.115 -4.830 5.077) 7.008 2.346 ( -0.022 -6.757 -3.444) 7.584 2.464 ( 0.895 -6.327 -2.386) 6.821 2.470 ( -0.995 -7.320 -0.819) 7.432 2.529 ( -0.097 -10.270 0.902) 10.310 2.756 ( -0.179 -6.647 -1.557) 6.830 2.763 ( -0.194 -2.397 0.398) 2.437 3.469 ( 0.208 1.241 1.090) 1.665 4.174 ( 0.245 -19.562 -0.029) 19.564 4.348 ( -0.069 -2.997 0.067) 2.998 4.397 ( 1.115 -22.385 1.971) 22.499 4.453 ( -0.801 -4.202 -1.422) 4.508 4.503 ( 0.211 -7.413 -0.169) 7.418 4.565 ( -0.547 -11.464 -0.782) 11.503 4.617 ( -0.159 3.001 -0.299) 3.020 4.826 ( -0.383 -1.862 0.069) 1.902 4.844 ( -0.403 -3.238 0.878) 3.379 4.860 ( 0.111 3.884 -0.597) 3.931 5.122 ( 0.033 -0.850 0.169) 0.867 5.238 ( 0.001 5.050 -0.069) 5.050 5.367 ( 0.510 -0.970 0.485) 1.198 5.407 ( -0.005 -10.087 -0.453) 10.097 5.457 ( -0.014 -3.118 0.595) 3.174 5.548 ( 0.099 -1.263 0.435) 1.340 5.606 ( -0.182 1.577 -0.172) 1.597 5.641 ( -0.399 -4.255 -0.082) 4.275 5.905 ( 0.588 0.409 -0.278) 0.768 6.025 ( -0.285 -0.830 0.092) 0.882 6.265 ( 0.476 5.832 -0.353) 5.862 6.292 ( -0.652 4.953 -0.000) 4.996 6.484 ( 0.033 2.040 -0.087) 2.042 6.498 ( 0.041 3.500 -0.023) 3.501======================= Grid point 81 (53/219) =======================q-point: ( 0.64 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 0.000 -1.656 0.000) 1.656 0.934 ( 0.000 -2.920 0.000) 2.920 1.070 ( 0.000 -8.723 0.000) 8.723 1.145 ( 0.000 -2.595 0.000) 2.595 1.197 ( 0.000 -5.107 0.000) 5.107 1.224 ( 0.000 -2.311 0.000) 2.311 1.614 ( 0.000 -4.790 0.000) 4.790 1.622 ( 0.000 -4.269 0.000) 4.269 1.721 ( 0.000 -5.606 0.000) 5.606 1.829 ( 0.000 -4.371 0.000) 4.371 2.072 ( -0.000 6.140 -0.000) 6.140 2.117 ( -0.000 1.267 -0.000) 1.267 2.212 ( -0.000 1.299 -0.000) 1.299 2.382 ( 0.000 -0.715 0.000) 0.715 2.484 ( 0.000 -4.994 0.000) 4.994 2.560 ( 0.000 -4.256 0.000) 4.256 2.601 ( 0.000 -8.377 0.000) 8.377 2.703 ( 0.000 -7.547 0.000) 7.547 2.813 ( 0.000 -2.865 0.000) 2.865 2.926 ( 0.000 -9.942 0.000) 9.942 3.448 ( -0.000 1.199 -0.000) 1.199 4.376 ( 0.000 -3.857 0.000) 3.857 4.397 ( 0.000 -2.757 0.000) 2.757 4.480 ( 0.000 -1.180 0.000) 1.180 4.482 ( 0.000 -1.739 0.000) 1.739 4.558 ( -0.000 2.371 -0.000) 2.371 4.600 ( -0.000 3.293 -0.000) 3.293 4.729 ( 0.000 -3.666 0.000) 3.666 4.817 ( -0.000 1.655 -0.000) 1.655 4.820 ( -0.000 1.204 -0.000) 1.204 4.977 ( 0.000 -5.854 0.000) 5.854 5.165 ( 0.000 -2.254 0.000) 2.254 5.194 ( 0.000 -0.765 0.000) 0.765 5.391 ( 0.000 -1.651 0.000) 1.651 5.506 ( 0.000 -1.761 0.000) 1.761 5.513 ( 0.000 -1.876 0.000) 1.876 5.558 ( -0.000 3.464 -0.000) 3.464 5.622 ( 0.000 -3.090 0.000) 3.090 5.768 ( 0.000 -8.169 0.000) 8.169 5.910 ( 0.000 -0.661 0.000) 0.661 6.047 ( 0.000 -1.446 0.000) 1.446 6.191 ( -0.000 3.060 -0.000) 3.060 6.223 ( -0.000 1.373 -0.000) 1.373 6.453 ( -0.000 1.439 -0.000) 1.439 6.466 ( 0.000 -0.020 0.000) 0.020======================= Grid point 93 (54/219) =======================q-point: ( 0.43 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.382 ( -0.675 -0.000 -0.248) 0.719 0.686 ( 2.634 0.000 0.034) 2.634 0.766 ( 3.894 0.000 4.204) 5.731 0.869 ( 4.436 0.000 4.147) 6.073 0.953 ( 0.981 0.000 0.049) 0.982 0.996 ( -0.263 -0.000 -3.652) 3.662 1.049 ( 1.639 0.000 0.247) 1.657 1.079 ( 2.081 0.000 0.488) 2.137 1.087 ( -2.713 -0.000 -0.234) 2.723 1.298 ( -7.234 -0.000 -1.276) 7.346 1.423 ( 0.842 0.000 10.565) 10.599 1.494 ( 0.866 0.000 -4.817) 4.895 1.551 ( 0.885 0.000 0.077) 0.889 1.950 ( -0.260 -0.000 0.055) 0.266 1.951 ( 1.648 0.000 0.854) 1.857 2.043 ( 0.025 0.000 -0.017) 0.030 2.179 ( 0.171 0.000 0.123) 0.211 2.223 ( 0.287 0.000 -6.564) 6.571 2.363 ( -0.157 -0.000 -1.207) 1.217 2.577 ( -1.063 -0.000 0.799) 1.329 2.620 ( 0.169 0.000 -0.037) 0.173 2.729 ( 0.215 0.000 3.591) 3.598 2.792 ( -1.319 -0.000 -5.038) 5.208 3.542 ( 0.814 0.000 1.779) 1.956 4.217 ( -0.044 -0.000 -0.002) 0.044 4.309 ( -0.054 -0.000 -0.005) 0.054 4.334 ( -0.210 -0.000 0.007) 0.210 4.638 ( -1.518 -0.000 2.179) 2.656 4.761 ( -0.737 -0.000 0.524) 0.904 4.909 ( -0.059 -0.000 -0.082) 0.101 5.105 ( 0.333 0.000 3.109) 3.127 5.176 ( -0.165 -0.000 0.008) 0.165 5.186 ( 0.559 0.000 1.633) 1.726 5.198 ( -0.129 -0.000 -0.013) 0.130 5.424 ( 0.479 0.000 3.637) 3.669 5.490 ( -0.052 -0.000 -0.788) 0.789 5.498 ( -3.309 -0.000 -2.759) 4.309 5.670 ( -1.384 -0.000 0.333) 1.423 5.689 ( -0.204 -0.000 -0.807) 0.832 5.960 ( 0.467 0.000 -2.359) 2.405 6.049 ( -0.029 -0.000 -0.413) 0.414 6.471 ( 0.311 0.000 1.697) 1.726 6.591 ( 0.173 0.000 1.283) 1.295 6.649 ( 1.506 0.000 1.608) 2.203 6.772 ( 0.211 0.000 -3.789) 3.795======================= Grid point 94 (55/219) =======================q-point: ( 0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( 1.374 0.190 -0.072) 1.389 0.765 ( 1.233 0.649 1.567) 2.097 0.949 ( 2.081 -9.738 -0.660) 9.980 1.005 ( -0.355 -2.055 0.450) 2.134 1.024 ( 0.171 -6.409 0.635) 6.442 1.045 ( -1.087 0.399 0.130) 1.166 1.211 ( -0.068 -11.643 5.654) 12.943 1.223 ( 2.072 -11.849 -1.499) 12.122 1.305 ( -1.976 -5.676 -2.839) 6.647 1.342 ( -1.661 -17.956 -1.616) 18.105 1.543 ( -0.266 -14.089 3.403) 14.497 1.579 ( 1.409 -11.210 -0.153) 11.299 1.988 ( 0.304 -15.878 0.754) 15.899 2.045 ( 0.207 -8.966 0.132) 8.969 2.112 ( -0.077 -6.256 0.007) 6.256 2.218 ( -0.001 -46.253 -0.500) 46.255 2.219 ( 0.050 -1.490 -3.369) 3.684 2.366 ( 1.318 -1.238 1.855) 2.591 2.402 ( -1.392 1.237 -2.537) 3.147 2.582 ( -0.032 -38.035 -0.096) 38.035 2.733 ( 0.145 0.081 0.814) 0.831 2.820 ( -0.543 -11.601 -0.926) 11.651 3.239 ( -1.648 -43.123 -1.346) 43.176 3.533 ( 0.375 1.119 0.942) 1.510 4.264 ( 0.112 -3.624 0.006) 3.626 4.334 ( 0.109 -2.823 0.115) 2.827 4.380 ( -0.001 -4.169 -0.226) 4.175 4.658 ( -0.692 -2.235 0.867) 2.495 4.737 ( -0.595 2.184 0.127) 2.267 4.896 ( -0.036 1.271 0.119) 1.277 5.074 ( 0.172 3.777 1.822) 4.197 5.174 ( 0.177 1.478 0.910) 1.745 5.211 ( -0.193 -1.285 -0.884) 1.571 5.227 ( 0.082 -4.548 0.034) 4.549 5.432 ( 0.586 1.016 4.563) 4.712 5.455 ( -0.170 2.920 -2.773) 4.030 5.489 ( -1.689 -1.353 -1.371) 2.562 5.641 ( -0.496 2.270 0.179) 2.331 5.671 ( -0.077 1.534 -0.403) 1.588 5.947 ( 0.271 1.081 -1.100) 1.566 6.037 ( -0.018 0.956 -0.151) 0.968 6.453 ( 0.122 2.301 1.053) 2.534 6.549 ( 0.400 5.211 0.574) 5.258 6.609 ( 0.428 4.056 0.020) 4.079 6.711 ( 0.169 5.368 -1.280) 5.522======================= Grid point 95 (56/219) =======================q-point: ( 0.57 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( 0.000 -4.713 0.000) 4.713 0.783 ( 0.000 -2.416 0.000) 2.416 0.968 ( -0.000 1.710 -0.000) 1.710 1.048 ( 0.000 -1.651 0.000) 1.651 1.067 ( 0.000 -4.136 0.000) 4.136 1.140 ( 0.000 -3.152 0.000) 3.152 1.395 ( 0.000 -6.422 0.000) 6.422 1.398 ( 0.000 -7.266 0.000) 7.266 1.436 ( 0.000 -9.275 0.000) 9.275 1.568 ( 0.000 -10.072 0.000) 10.072 1.882 ( 0.000 -18.068 0.000) 18.068 1.892 ( 0.000 -17.312 0.000) 17.312 2.203 ( -0.000 0.154 -0.000) 0.154 2.204 ( 0.000 -9.565 0.000) 9.565 2.244 ( 0.000 -3.887 0.000) 3.887 2.258 ( 0.000 -13.148 0.000) 13.148 2.368 ( 0.000 -2.521 0.000) 2.521 2.388 ( 0.000 -3.386 0.000) 3.386 2.675 ( 0.000 -3.027 0.000) 3.027 2.736 ( 0.000 -0.626 0.000) 0.626 3.498 ( -0.000 1.606 -0.000) 1.606 3.514 ( 0.000 -52.725 0.000) 52.725 3.595 ( 0.000 -49.346 0.000) 49.346 4.045 ( 0.000 -36.463 0.000) 36.463 4.325 ( 0.000 -3.459 0.000) 3.459 4.404 ( 0.000 -3.430 0.000) 3.430 4.455 ( 0.000 -3.052 0.000) 3.052 4.680 ( -0.000 3.378 -0.000) 3.378 4.723 ( 0.000 -4.799 0.000) 4.799 4.864 ( -0.000 1.924 -0.000) 1.924 4.975 ( -0.000 6.538 -0.000) 6.538 5.139 ( -0.000 1.920 -0.000) 1.920 5.257 ( 0.000 -4.366 0.000) 4.366 5.322 ( 0.000 -4.579 0.000) 4.579 5.355 ( -0.000 6.103 -0.000) 6.103 5.424 ( -0.000 0.316 -0.000) 0.316 5.529 ( 0.000 -2.379 0.000) 2.379 5.601 ( -0.000 0.863 -0.000) 0.863 5.637 ( -0.000 1.813 -0.000) 1.813 5.923 ( -0.000 1.233 -0.000) 1.233 6.021 ( -0.000 0.486 -0.000) 0.486 6.390 ( -0.000 4.567 -0.000) 4.567 6.407 ( -0.000 8.590 -0.000) 8.590 6.537 ( -0.000 3.418 -0.000) 3.418 6.592 ( -0.000 6.207 -0.000) 6.207======================= Grid point 110 (57/219) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( 0.000 0.000 0.000) 0.000 0.699 ( -0.000 -0.000 -0.000) 0.000 0.795 ( -0.000 -0.000 -0.000) 0.000 0.899 ( 0.000 0.000 -0.000) 0.000 0.970 ( 0.000 0.000 -0.000) 0.000 0.980 ( -0.000 -0.000 0.000) 0.000 1.049 ( 0.000 0.000 -0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.108 ( -0.000 -0.000 -0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 -0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 -0.000) 0.000 2.043 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.210 ( 0.000 0.000 -0.000) 0.000 2.359 ( 0.000 0.000 -0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.621 ( 0.000 0.000 -0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 -0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 -0.000) 0.000 4.636 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 -0.000) 0.000 4.908 ( -0.000 -0.000 0.000) 0.000 5.113 ( 0.000 0.000 -0.000) 0.000 5.175 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.453 ( -0.000 -0.000 -0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 -0.000) 0.000 5.664 ( -0.000 -0.000 0.000) 0.000 5.687 ( 0.000 0.000 -0.000) 0.000 5.958 ( 0.000 0.000 -0.000) 0.000 6.048 ( 0.000 0.000 -0.000) 0.000 6.477 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 -0.000) 0.000 6.663 ( 0.000 0.000 -0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000======================= Grid point 205 (58/219) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.212 ( -5.632 -0.000 12.188) 13.427 0.364 ( 1.241 0.000 17.919) 17.962 0.447 ( -0.400 -0.000 -0.214) 0.454 0.652 ( -4.291 -0.000 16.050) 16.614 0.773 ( 2.588 0.000 4.934) 5.572 0.898 ( -0.030 -0.000 -7.971) 7.971 0.968 ( 3.018 0.000 -1.158) 3.233 1.132 ( -0.448 -0.000 -1.422) 1.491 1.175 ( 0.041 0.000 0.592) 0.594 1.352 ( 0.646 0.000 4.208) 4.257 1.449 ( 0.026 0.000 -0.212) 0.214 1.592 ( 0.299 0.000 -1.159) 1.197 1.663 ( -2.013 -0.000 0.529) 2.081 1.778 ( -0.414 -0.000 4.107) 4.128 1.943 ( 0.353 0.000 1.560) 1.599 2.055 ( -0.155 -0.000 -0.891) 0.904 2.171 ( -0.096 -0.000 0.505) 0.514 2.203 ( 0.766 0.000 -12.934) 12.957 2.411 ( -0.467 -0.000 -3.860) 3.888 2.531 ( 0.622 0.000 1.077) 1.244 2.604 ( 0.002 0.000 -0.091) 0.091 2.786 ( -0.070 -0.000 1.964) 1.965 2.977 ( 0.842 0.000 -6.837) 6.889 3.422 ( 1.437 0.000 4.501) 4.724 4.221 ( 0.027 0.000 -0.062) 0.067 4.316 ( -0.014 -0.000 0.079) 0.080 4.353 ( -0.008 -0.000 -0.029) 0.031 4.753 ( 0.861 0.000 -1.351) 1.602 4.849 ( 2.816 0.000 2.758) 3.941 4.920 ( 0.595 0.000 0.133) 0.609 5.148 ( -1.169 -0.000 -0.965) 1.516 5.191 ( 0.023 0.000 0.040) 0.046 5.211 ( -0.024 -0.000 -0.050) 0.056 5.238 ( -2.500 -0.000 1.239) 2.790 5.450 ( 1.765 0.000 -1.071) 2.065 5.605 ( -1.020 -0.000 1.717) 1.997 5.686 ( 0.015 0.000 -1.119) 1.120 5.706 ( -1.055 -0.000 -0.663) 1.246 5.980 ( 16.580 0.000 0.042) 16.581 6.048 ( -0.089 -0.000 0.308) 0.320 6.081 ( 0.170 0.000 -1.953) 1.960 6.336 ( 2.709 0.000 3.405) 4.351 6.545 ( -13.451 -0.000 -2.465) 13.675 6.625 ( 1.056 0.000 0.183) 1.072 6.657 ( -0.002 -0.000 1.157) 1.157======================= Grid point 206 (59/219) =======================q-point: ( 0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.373 ( -2.179 -13.247 8.410) 15.842 0.645 ( -0.910 -10.710 12.972) 16.847 0.764 ( 0.118 -10.668 -4.281) 11.495 0.913 ( 1.522 -10.504 6.455) 12.422 0.957 ( 1.983 -5.077 -3.286) 6.364 1.017 ( 1.005 -6.554 -2.712) 7.164 1.178 ( 0.991 -11.228 8.541) 14.142 1.262 ( 0.014 -12.020 1.425) 12.104 1.369 ( -0.069 -14.721 -2.855) 14.995 1.524 ( -1.657 -12.386 2.269) 12.700 1.551 ( -0.673 -2.854 -2.250) 3.695 1.611 ( -1.539 3.504 0.328) 3.841 1.830 ( 1.335 -7.815 4.035) 8.896 2.054 ( -0.875 -16.757 0.336) 16.783 2.093 ( 2.314 -5.372 2.032) 6.192 2.160 ( -1.012 -8.908 -3.545) 9.641 2.279 ( -0.869 -2.290 -4.589) 5.202 2.365 ( 0.325 -28.674 -4.080) 28.964 2.439 ( 0.150 -2.826 -5.661) 6.329 2.594 ( -0.276 -40.090 -0.357) 40.092 2.652 ( 1.114 -3.503 3.389) 5.000 2.997 ( -1.831 -18.421 -4.212) 18.985 3.430 ( 1.323 -0.038 4.710) 4.892 3.721 ( -4.132 -44.478 -26.623) 52.001 4.240 ( 0.044 -1.836 -0.026) 1.836 4.327 ( -0.003 -1.252 0.073) 1.254 4.368 ( -0.280 -1.713 -0.134) 1.741 4.740 ( 0.119 1.230 -1.156) 1.692 4.863 ( 1.319 0.166 1.039) 1.687 4.920 ( -0.221 0.107 -0.125) 0.275 5.114 ( -1.821 2.943 0.329) 3.477 5.203 ( -1.791 1.527 1.517) 2.800 5.216 ( 0.012 -2.376 0.119) 2.379 5.230 ( 0.160 -1.223 -0.305) 1.270 5.426 ( 1.163 2.982 -1.326) 3.465 5.570 ( -1.901 4.024 2.487) 5.098 5.629 ( -1.438 3.794 1.390) 4.289 5.684 ( -0.335 1.710 -0.910) 1.966 5.854 ( 3.010 10.838 5.959) 12.729 6.000 ( -2.758 3.580 -2.743) 5.286 6.059 ( 0.282 0.493 0.134) 0.583 6.337 ( 2.333 1.648 3.265) 4.338 6.434 ( -3.467 3.749 0.469) 5.128 6.601 ( -0.366 2.929 -0.108) 2.954 6.608 ( 2.283 3.845 0.481) 4.498======================= Grid point 207 (60/219) =======================q-point: ( 0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( -2.376 -14.877 5.729) 16.118 0.813 ( -1.186 -6.407 6.853) 9.456 0.920 ( -0.087 -4.897 -0.522) 4.925 1.006 ( 2.793 -5.556 -6.002) 8.642 1.114 ( 0.149 -6.435 0.147) 6.438 1.151 ( -0.141 -6.408 -0.399) 6.422 1.334 ( 0.105 -6.246 9.103) 11.041 1.469 ( 0.149 0.909 -1.685) 1.920 1.535 ( -2.163 0.707 -0.780) 2.405 1.625 ( -0.040 -9.170 -3.522) 9.823 1.687 ( 1.737 -22.483 7.631) 23.807 1.871 ( -0.463 -16.939 0.067) 16.945 2.057 ( 1.961 -11.280 3.753) 12.048 2.132 ( 1.634 -0.735 3.718) 4.127 2.247 ( -1.026 -6.900 -9.720) 11.964 2.321 ( -0.691 -9.300 2.286) 9.602 2.372 ( -1.682 -9.017 -2.113) 9.413 2.432 ( 0.756 -3.167 -3.296) 4.633 2.614 ( 2.653 -3.514 3.011) 5.334 2.742 ( -1.102 -3.351 -9.540) 10.171 3.409 ( 0.685 -6.137 6.048) 8.643 3.534 ( -0.076 -41.970 -0.599) 41.975 3.736 ( -1.327 -41.788 2.072) 41.861 4.255 ( -1.624 -17.884 -6.960) 19.259 4.292 ( 0.792 -6.431 -1.424) 6.634 4.367 ( 0.104 -2.913 0.425) 2.946 4.415 ( -0.050 -3.310 -0.569) 3.359 4.705 ( -0.243 2.295 -0.564) 2.376 4.857 ( 0.446 1.105 0.392) 1.254 4.915 ( -0.512 0.438 0.634) 0.926 5.017 ( -1.952 6.001 0.318) 6.319 5.152 ( -0.598 3.016 1.373) 3.368 5.274 ( 0.253 -2.967 -0.222) 2.986 5.286 ( -0.131 -4.577 -0.568) 4.614 5.341 ( 0.993 5.781 -1.778) 6.129 5.483 ( -1.213 3.319 2.330) 4.233 5.573 ( -0.563 2.303 0.649) 2.458 5.642 ( -0.230 1.981 -0.345) 2.024 5.738 ( -0.585 3.209 1.881) 3.766 5.910 ( -1.359 3.248 -3.441) 4.923 6.067 ( -0.531 -1.002 0.525) 1.249 6.313 ( 0.546 2.623 0.405) 2.710 6.357 ( 0.460 3.496 1.251) 3.741 6.528 ( 0.517 3.794 -0.750) 3.902 6.548 ( 0.407 3.342 0.173) 3.371======================= Grid point 208 (61/219) =======================q-point: ( 0.21 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -2.302 -6.249 0.685) 6.694 0.899 ( -0.434 -2.137 2.973) 3.687 1.008 ( 0.037 -7.722 3.226) 8.369 1.132 ( 0.212 -6.367 -3.412) 7.226 1.228 ( -1.564 -5.984 -0.632) 6.217 1.236 ( -1.891 -3.206 0.153) 3.725 1.441 ( 0.499 -1.255 3.364) 3.625 1.480 ( 0.450 -4.611 3.678) 5.915 1.550 ( 1.148 -3.737 -1.675) 4.253 1.770 ( -0.042 -6.815 -2.721) 7.338 2.051 ( 0.724 -8.377 2.862) 8.882 2.108 ( 0.646 -9.539 -0.831) 9.597 2.147 ( -0.274 -0.398 1.489) 1.565 2.223 ( 2.239 -5.848 4.866) 7.930 2.412 ( -1.336 -5.672 0.331) 5.837 2.443 ( 0.718 -11.207 -2.762) 11.565 2.502 ( -0.458 -5.256 -1.811) 5.578 2.560 ( -1.133 -8.341 -3.556) 9.138 2.742 ( 1.188 -6.635 0.333) 6.748 2.799 ( -0.795 -7.340 -5.900) 9.450 3.439 ( 0.474 -0.061 4.290) 4.316 4.137 ( 0.418 -17.848 -0.159) 17.853 4.341 ( 0.343 -4.618 0.818) 4.702 4.390 ( -1.215 -13.511 0.813) 13.590 4.454 ( 0.692 -10.706 -0.156) 10.729 4.492 ( 0.278 -9.245 0.127) 9.250 4.552 ( 1.009 -7.854 -1.736) 8.107 4.649 ( -0.530 3.164 -0.142) 3.211 4.831 ( 0.173 1.829 0.819) 2.012 4.863 ( 0.128 4.723 2.072) 5.159 4.939 ( -1.542 -0.659 -1.160) 2.039 5.104 ( 0.396 2.089 4.229) 4.734 5.231 ( 0.466 3.877 -2.952) 4.895 5.315 ( 0.241 -0.922 -1.521) 1.795 5.390 ( 0.009 -4.960 0.643) 5.002 5.463 ( 0.243 -0.952 1.412) 1.721 5.548 ( 0.266 -0.725 -2.449) 2.568 5.609 ( 0.115 1.857 -0.175) 1.869 5.725 ( -1.303 -1.827 1.753) 2.847 5.865 ( -0.551 -0.024 -3.267) 3.313 6.087 ( -0.982 -1.333 -0.182) 1.666 6.239 ( -0.541 4.203 0.914) 4.335 6.321 ( 0.527 1.574 -0.039) 1.660 6.475 ( 0.155 1.556 -0.296) 1.591 6.493 ( 0.032 2.469 0.126) 2.472======================= Grid point 209 (62/219) =======================q-point: ( 0.29 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( -0.009 0.104 -0.569) 0.578 0.922 ( 0.482 -0.212 1.040) 1.166 1.168 ( -0.905 -4.989 0.881) 5.147 1.211 ( 0.179 -2.935 0.612) 3.003 1.270 ( -4.509 -3.395 1.942) 5.969 1.324 ( -3.144 -5.430 -1.792) 6.526 1.501 ( 3.182 -4.083 1.732) 5.459 1.592 ( 0.694 -5.979 0.267) 6.025 1.656 ( 0.794 -5.852 0.702) 5.947 1.874 ( -0.433 -4.709 -0.397) 4.746 2.072 ( -0.215 2.618 -1.233) 2.901 2.146 ( -0.698 -0.183 0.214) 0.753 2.214 ( 0.104 -0.408 -1.308) 1.374 2.318 ( 1.420 -1.309 7.409) 7.657 2.509 ( -0.265 -2.362 -2.039) 3.132 2.604 ( -0.932 -7.523 -3.915) 8.532 2.616 ( 0.611 -7.941 0.206) 7.967 2.717 ( -1.209 -9.113 -2.186) 9.449 2.837 ( -0.322 -4.026 -2.241) 4.619 2.969 ( -0.802 -9.388 0.004) 9.422 3.443 ( 0.074 0.783 3.354) 3.445 4.336 ( 0.549 -5.041 0.881) 5.147 4.415 ( 0.241 -3.188 0.454) 3.229 4.467 ( -0.339 -1.555 1.136) 1.955 4.499 ( -0.085 1.253 -0.163) 1.266 4.569 ( 0.632 2.600 -1.246) 2.952 4.592 ( -0.514 0.276 -0.030) 0.585 4.724 ( 0.082 -3.545 0.174) 3.550 4.806 ( 0.275 1.135 0.764) 1.395 4.820 ( 0.067 1.080 -1.311) 1.700 4.997 ( -0.770 -3.855 0.836) 4.019 5.121 ( 1.476 -2.459 4.234) 5.114 5.191 ( 0.171 0.317 -3.269) 3.288 5.327 ( 1.067 -0.841 -0.907) 1.633 5.441 ( 0.708 -0.733 1.819) 2.085 5.497 ( 0.447 -1.616 -0.443) 1.734 5.555 ( 0.405 3.122 -0.799) 3.248 5.596 ( 0.970 -2.299 -2.024) 3.213 5.791 ( -0.444 -3.975 2.902) 4.942 5.882 ( 0.080 -1.987 -3.948) 4.420 6.104 ( -1.150 -1.160 -0.271) 1.656 6.175 ( -0.614 2.782 2.558) 3.828 6.290 ( -0.382 1.403 -1.727) 2.258 6.457 ( -0.147 1.174 0.344) 1.232 6.470 ( -0.127 -0.500 -0.028) 0.517======================= Grid point 210 (63/219) =======================q-point: ( 0.36 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( 0.773 0.586 -0.762) 1.234 0.921 ( 1.031 0.793 0.612) 1.438 1.197 ( -0.435 -0.179 0.631) 0.787 1.233 ( 0.235 0.415 -0.292) 0.559 1.349 ( -1.777 -4.587 1.215) 5.067 1.406 ( -2.555 -5.459 -0.112) 6.028 1.610 ( 1.062 -5.064 0.355) 5.186 1.694 ( 0.253 -3.788 -0.086) 3.798 1.767 ( 0.381 -5.324 0.047) 5.337 1.938 ( -0.434 -0.710 4.160) 4.242 1.989 ( -1.677 3.180 -3.154) 4.783 2.147 ( -0.488 0.094 0.241) 0.552 2.181 ( -0.317 2.491 -1.272) 2.815 2.318 ( 1.103 2.566 3.796) 4.713 2.526 ( 0.422 -0.839 -2.670) 2.830 2.684 ( -1.909 -2.030 -0.012) 2.787 2.779 ( -0.246 -7.539 -0.581) 7.565 2.853 ( -1.102 -6.346 -2.453) 6.892 2.894 ( -0.500 -3.395 -1.230) 3.645 3.119 ( -0.766 -6.394 0.689) 6.477 3.426 ( 0.032 1.506 2.171) 2.642 4.376 ( 0.105 0.616 -0.053) 0.627 4.401 ( 1.023 3.462 0.398) 3.632 4.493 ( -0.308 -2.216 1.850) 2.903 4.506 ( 0.556 0.208 1.572) 1.681 4.535 ( -0.653 -1.470 -2.002) 2.568 4.630 ( -0.907 -2.744 0.038) 2.890 4.743 ( 0.453 0.088 0.352) 0.581 4.795 ( -0.349 -0.544 -1.242) 1.400 4.801 ( -0.307 0.678 -0.363) 0.828 5.038 ( -0.500 -1.266 0.671) 1.518 5.167 ( 1.557 0.004 2.405) 2.865 5.183 ( 0.088 0.273 -2.635) 2.650 5.359 ( 1.470 -1.874 0.374) 2.411 5.454 ( 0.645 2.591 2.925) 3.960 5.483 ( 1.507 0.315 -3.112) 3.472 5.543 ( 0.306 -2.007 -0.174) 2.038 5.610 ( 0.399 0.954 -1.413) 1.751 5.839 ( 0.449 0.351 1.636) 1.732 5.903 ( 0.771 -0.901 -1.600) 1.992 6.111 ( -0.019 3.041 2.136) 3.716 6.127 ( -1.168 -0.188 -1.103) 1.617 6.261 ( -0.935 1.130 -0.779) 1.661 6.444 ( -0.198 0.139 0.120) 0.270 6.479 ( -0.189 -0.196 0.042) 0.275======================= Grid point 211 (64/219) =======================q-point: ( 0.43 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 0.786 0.710 0.128) 1.067 0.910 ( 0.959 0.659 -0.285) 1.198 1.196 ( -0.038 0.098 0.370) 0.385 1.212 ( 0.115 1.501 -0.183) 1.517 1.425 ( -0.041 -3.497 0.009) 3.497 1.503 ( -0.925 -5.407 -0.308) 5.494 1.672 ( -1.086 -0.283 0.707) 1.326 1.733 ( 0.128 -1.536 -1.037) 1.858 1.822 ( -0.590 1.169 0.617) 1.448 1.904 ( -0.057 -0.669 1.945) 2.058 1.997 ( -1.274 -1.560 0.420) 2.057 2.120 ( 0.904 3.195 0.388) 3.343 2.138 ( 0.145 1.371 -0.265) 1.404 2.286 ( 0.386 1.006 0.702) 1.286 2.542 ( 0.611 -0.940 -0.893) 1.434 2.661 ( -2.111 2.186 -0.258) 3.050 2.879 ( -0.765 -3.226 -1.841) 3.792 2.943 ( -0.684 -4.269 -1.727) 4.656 2.980 ( -0.497 -5.617 0.399) 5.653 3.197 ( -0.357 -1.888 0.384) 1.959 3.400 ( 0.087 1.587 1.060) 1.910 4.348 ( 0.466 1.500 0.032) 1.571 4.355 ( 0.177 1.946 0.057) 1.955 4.508 ( 0.186 -0.439 0.144) 0.498 4.532 ( -0.875 -1.103 1.348) 1.950 4.575 ( 0.232 -2.480 -0.553) 2.551 4.666 ( -0.468 -1.139 0.060) 1.233 4.742 ( 0.481 0.366 0.749) 0.962 4.786 ( -0.592 -0.006 -0.846) 1.032 4.833 ( -0.609 -3.466 -0.366) 3.538 5.037 ( 0.227 2.030 0.051) 2.044 5.165 ( 0.943 0.142 1.345) 1.649 5.177 ( -0.287 -0.262 -1.542) 1.590 5.357 ( 0.051 4.455 -0.395) 4.473 5.424 ( 1.290 -2.340 -0.128) 2.674 5.530 ( 1.540 -2.256 0.998) 2.908 5.564 ( 0.088 1.250 -0.829) 1.502 5.603 ( 0.476 -3.045 0.249) 3.092 5.779 ( 0.467 5.708 -0.290) 5.735 5.926 ( 0.928 -0.877 0.354) 1.325 6.029 ( -0.160 4.515 0.178) 4.521 6.138 ( -0.678 -0.782 -0.151) 1.046 6.231 ( -0.935 1.183 -0.178) 1.519 6.446 ( -0.173 -0.290 0.054) 0.342 6.474 ( -0.145 0.574 -0.058) 0.595======================= Grid point 212 (65/219) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( -0.007 0.392 0.751) 0.848 0.911 ( 0.108 -0.507 -0.759) 0.919 1.192 ( 0.005 0.249 -0.074) 0.259 1.199 ( -0.026 -0.394 0.039) 0.397 1.448 ( -0.868 0.921 -1.536) 1.991 1.577 ( -0.805 0.543 0.451) 1.071 1.642 ( 0.376 -1.262 1.162) 1.756 1.776 ( 0.139 2.671 0.230) 2.684 1.796 ( -0.034 -4.505 -0.760) 4.569 1.919 ( 0.415 1.239 2.099) 2.473 2.008 ( -0.606 -0.214 0.883) 1.092 2.064 ( 1.356 2.387 0.824) 2.867 2.129 ( 0.098 -0.095 -0.423) 0.444 2.285 ( 0.261 -0.240 -0.501) 0.614 2.558 ( 1.168 -0.400 0.418) 1.304 2.623 ( -0.930 0.408 -0.735) 1.254 2.896 ( -0.291 0.410 -1.596) 1.673 2.994 ( -0.253 -1.739 -3.038) 3.509 3.070 ( -0.130 -2.976 2.277) 3.749 3.188 ( -0.284 2.489 -0.433) 2.542 3.374 ( 0.174 1.389 0.707) 1.568 4.332 ( 0.061 0.248 -0.015) 0.256 4.337 ( -0.083 -0.133 0.069) 0.171 4.509 ( -0.235 0.930 0.124) 0.967 4.531 ( -1.174 0.221 0.082) 1.197 4.619 ( 0.879 -1.514 0.438) 1.805 4.664 ( 0.268 1.290 -0.101) 1.322 4.737 ( 0.267 0.386 0.319) 0.568 4.793 ( -0.180 -0.862 0.172) 0.898 4.895 ( -0.221 -1.249 0.037) 1.269 4.988 ( -0.156 0.485 -0.607) 0.793 5.156 ( -0.424 1.525 0.813) 1.779 5.211 ( 0.517 -3.158 -0.625) 3.261 5.277 ( 0.100 3.171 -1.157) 3.377 5.450 ( -1.162 1.136 -1.516) 2.222 5.527 ( 0.992 -0.744 2.750) 3.016 5.631 ( 1.169 -4.548 1.409) 4.903 5.661 ( -0.280 5.479 -0.916) 5.562 5.679 ( 0.062 -4.028 -0.764) 4.101 5.921 ( 0.485 2.046 0.072) 2.104 5.981 ( 0.010 -0.430 -0.002) 0.430 6.145 ( -0.040 -0.125 -0.031) 0.135 6.218 ( -0.742 -0.443 -0.058) 0.866 6.454 ( -0.088 -0.600 0.146) 0.623 6.461 ( -0.027 0.661 -0.220) 0.697======================= Grid point 213 (66/219) =======================q-point: (-0.43 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -0.558 -0.670 0.127) 0.881 0.921 ( -1.138 -0.842 -0.229) 1.434 1.201 ( 0.285 -0.645 0.332) 0.779 1.211 ( -0.436 -1.072 -0.176) 1.171 1.401 ( -0.488 2.752 -0.189) 2.801 1.491 ( 0.493 6.106 0.043) 6.126 1.690 ( -0.861 1.382 0.682) 1.765 1.725 ( 1.026 1.048 -1.190) 1.889 1.867 ( 0.205 -0.422 -0.972) 1.079 1.880 ( 0.451 1.892 3.628) 4.117 2.021 ( 0.644 -1.489 1.060) 1.938 2.061 ( 1.135 -1.163 -0.001) 1.625 2.141 ( -0.006 -1.649 -0.318) 1.679 2.285 ( 0.096 0.230 -0.486) 0.546 2.561 ( 1.929 2.229 1.052) 3.130 2.633 ( 0.223 -2.103 -1.120) 2.392 2.865 ( 0.678 2.594 -0.736) 2.780 2.995 ( 0.318 0.592 -4.979) 5.024 3.088 ( 0.504 1.906 3.803) 4.284 3.110 ( -0.625 4.882 -1.477) 5.139 3.352 ( 0.248 1.230 1.498) 1.954 4.346 ( -0.389 -1.456 0.008) 1.507 4.355 ( -0.155 -2.242 0.064) 2.249 4.470 ( -1.595 2.433 0.775) 3.010 4.522 ( -0.501 0.472 0.058) 0.690 4.623 ( 1.259 3.113 0.635) 3.417 4.630 ( 1.112 1.066 -0.368) 1.584 4.735 ( 0.541 0.164 -0.136) 0.582 4.808 ( -0.167 -0.603 -0.034) 0.626 4.857 ( -0.002 2.610 -0.380) 2.637 5.047 ( -1.071 -4.496 0.021) 4.622 5.109 ( -0.329 3.008 0.082) 3.027 5.241 ( -0.374 0.582 -0.194) 0.718 5.283 ( 0.827 -3.808 -0.321) 3.910 5.404 ( -1.951 1.798 -0.034) 2.654 5.546 ( 0.400 1.193 0.931) 1.566 5.582 ( -0.288 1.101 -0.679) 1.325 5.704 ( -1.277 -0.829 -1.246) 1.967 5.744 ( 0.679 -3.565 0.978) 3.759 5.914 ( 0.105 -1.550 0.322) 1.586 6.017 ( 0.326 -2.815 0.050) 2.834 6.142 ( 0.450 0.496 -0.029) 0.671 6.240 ( -0.464 -2.064 -0.197) 2.124 6.449 ( 0.134 0.471 -0.164) 0.517 6.467 ( 0.002 -0.651 0.136) 0.665======================= Grid point 214 (67/219) =======================q-point: (-0.36 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -0.259 -0.437 -0.256) 0.569 0.930 ( -1.654 -0.834 0.138) 1.857 1.206 ( 0.129 0.331 0.514) 0.625 1.233 ( -0.165 -0.937 -0.153) 0.964 1.343 ( 3.590 5.518 1.704) 6.800 1.378 ( 1.116 4.891 -0.562) 5.048 1.607 ( -3.218 4.540 -0.098) 5.565 1.678 ( 0.046 5.504 0.791) 5.560 1.812 ( 0.575 4.451 -1.695) 4.798 1.863 ( 0.199 1.967 2.563) 3.237 2.073 ( 0.366 -2.980 1.272) 3.261 2.112 ( 1.791 -2.770 -0.930) 3.427 2.185 ( 0.063 -2.226 -0.028) 2.227 2.277 ( -0.485 0.303 -0.587) 0.820 2.497 ( 1.722 5.008 1.282) 5.449 2.679 ( 0.748 -1.696 -0.823) 2.028 2.781 ( 0.566 6.958 -0.437) 6.995 2.957 ( 0.413 2.774 -7.383) 7.898 3.002 ( -0.298 5.913 -0.542) 5.945 3.038 ( 1.434 3.690 3.153) 5.060 3.337 ( 0.217 1.051 3.422) 3.586 4.378 ( -0.182 -1.949 -0.354) 1.989 4.414 ( -2.252 2.357 2.064) 3.859 4.421 ( -0.617 -4.033 -0.143) 4.083 4.506 ( -0.103 1.344 0.267) 1.375 4.577 ( 1.616 1.853 0.392) 2.490 4.598 ( 1.152 2.446 -0.455) 2.741 4.731 ( 0.747 0.501 -0.468) 1.013 4.812 ( -0.476 -0.030 -0.318) 0.573 4.831 ( -0.426 -0.175 -0.497) 0.678 5.051 ( -0.164 2.574 1.102) 2.805 5.098 ( -0.978 -0.299 -0.484) 1.132 5.234 ( -1.163 -0.069 -0.406) 1.233 5.355 ( 0.929 -3.019 1.074) 3.336 5.372 ( -1.805 0.523 0.385) 1.918 5.526 ( -0.429 0.010 -0.285) 0.515 5.562 ( -0.533 1.792 -0.757) 2.017 5.683 ( -0.538 1.400 -3.802) 4.087 5.787 ( 0.067 0.308 3.265) 3.280 5.962 ( -0.174 -2.860 -0.870) 2.994 6.071 ( 0.321 -2.121 0.514) 2.205 6.132 ( 0.930 0.892 0.377) 1.342 6.280 ( -0.283 -2.121 -0.740) 2.264 6.444 ( 0.193 0.140 0.010) 0.238 6.474 ( 0.093 0.020 0.152) 0.179======================= Grid point 215 (68/219) =======================q-point: (-0.29 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( 0.188 0.420 0.336) 0.570 0.938 ( -1.060 -0.711 0.103) 1.281 1.165 ( 2.264 10.331 1.196) 10.643 1.194 ( 0.225 1.229 0.283) 1.281 1.276 ( 4.160 1.686 1.562) 4.753 1.324 ( 1.004 2.738 -1.186) 3.148 1.506 ( -4.425 3.946 0.155) 5.931 1.537 ( -0.042 9.187 4.155) 10.083 1.702 ( -0.370 5.701 -5.339) 7.820 1.827 ( 0.297 3.019 3.605) 4.711 2.127 ( 0.309 -1.096 1.399) 1.803 2.139 ( 0.142 0.516 -0.848) 1.003 2.201 ( 0.037 1.116 0.909) 1.440 2.258 ( -0.893 1.437 -2.742) 3.221 2.407 ( 1.426 5.516 2.880) 6.384 2.609 ( 0.204 10.134 -0.226) 10.138 2.680 ( 0.253 2.131 -1.583) 2.666 2.842 ( -0.026 8.114 -4.008) 9.050 2.860 ( 0.906 9.291 0.919) 9.380 2.999 ( 0.822 1.598 -4.846) 5.168 3.332 ( 0.327 0.733 6.050) 6.103 4.342 ( -2.079 4.471 1.297) 5.098 4.385 ( 0.129 2.740 0.090) 2.745 4.467 ( 0.080 0.728 0.708) 1.019 4.496 ( 0.293 -0.649 -0.054) 0.714 4.575 ( 0.773 -1.409 0.199) 1.619 4.587 ( 0.265 -1.431 -1.206) 1.890 4.718 ( 0.469 2.076 -0.001) 2.128 4.799 ( -0.516 1.186 0.109) 1.298 4.840 ( -0.681 -0.153 -0.507) 0.862 5.022 ( -0.733 0.446 1.436) 1.673 5.029 ( -0.372 6.141 0.593) 6.181 5.231 ( -1.367 -0.742 -0.657) 1.689 5.366 ( -1.701 -0.732 0.268) 1.871 5.403 ( 1.057 -0.927 1.710) 2.214 5.494 ( -0.797 4.928 -1.027) 5.097 5.548 ( 0.119 -2.337 -0.235) 2.352 5.632 ( 0.475 2.819 -4.575) 5.394 5.753 ( 0.459 3.680 2.882) 4.697 5.972 ( -0.285 1.729 -2.225) 2.832 6.098 ( 1.038 0.739 -0.308) 1.311 6.149 ( 0.189 -4.020 2.522) 4.749 6.305 ( 0.146 -0.629 -1.490) 1.624 6.452 ( 0.123 -0.912 0.386) 0.998 6.471 ( 0.014 -0.066 -0.025) 0.072======================= Grid point 216 (69/219) =======================q-point: (-0.21 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.868 ( -0.402 3.672 2.681) 4.564 0.938 ( 2.189 12.805 3.404) 13.429 0.949 ( -1.307 0.482 -0.759) 1.586 1.152 ( 0.383 4.047 -1.931) 4.500 1.236 ( 1.167 5.150 0.741) 5.333 1.256 ( 1.117 4.912 -1.739) 5.329 1.367 ( 1.165 8.719 6.831) 11.137 1.446 ( -1.954 0.723 0.458) 2.133 1.594 ( -0.243 3.600 -5.381) 6.479 1.759 ( -0.085 4.932 2.674) 5.610 1.999 ( -1.052 14.952 3.891) 15.486 2.109 ( -0.209 2.367 1.236) 2.678 2.166 ( -0.139 8.709 -1.999) 8.937 2.184 ( -1.361 2.779 -3.019) 4.323 2.323 ( 1.522 3.907 4.471) 6.129 2.454 ( 0.000 4.383 -1.265) 4.562 2.597 ( 0.299 7.441 -1.322) 7.563 2.650 ( -0.449 9.199 -0.805) 9.245 2.660 ( 0.284 12.264 -0.821) 12.295 2.947 ( -0.496 2.209 -9.967) 10.221 3.336 ( 0.496 0.677 7.757) 7.803 4.148 ( -0.767 18.505 -0.178) 18.522 4.327 ( -0.216 3.293 0.709) 3.375 4.406 ( 0.438 12.611 1.329) 12.688 4.446 ( -0.223 17.090 0.060) 17.092 4.466 ( 0.020 4.550 -0.839) 4.627 4.572 ( -0.313 5.506 -1.324) 5.671 4.658 ( 0.067 -2.121 -0.442) 2.167 4.805 ( 0.102 -2.693 1.342) 3.011 4.833 ( 0.475 -1.503 0.999) 1.866 4.983 ( -0.500 -2.257 -1.034) 2.533 5.053 ( -0.877 -3.581 3.426) 5.033 5.262 ( -0.831 -3.459 -1.724) 3.953 5.357 ( -1.048 2.791 -1.480) 3.328 5.380 ( 0.746 4.897 1.229) 5.103 5.419 ( 0.662 -0.322 1.154) 1.369 5.567 ( 2.253 1.789 -4.140) 5.041 5.611 ( -0.097 -2.652 -0.144) 2.658 5.686 ( 1.600 3.684 1.986) 4.481 5.936 ( -0.575 0.034 -2.344) 2.414 6.075 ( 1.429 1.733 0.385) 2.279 6.263 ( -1.577 -6.858 1.611) 7.219 6.302 ( 0.659 0.562 -0.980) 1.308 6.477 ( -0.011 -1.865 -0.322) 1.893 6.495 ( -0.277 -2.402 0.155) 2.423======================= Grid point 217 (70/219) =======================q-point: (-0.14 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( -2.390 14.902 5.672) 16.123 0.777 ( -1.708 8.111 7.729) 11.333 0.937 ( -1.118 2.157 0.009) 2.430 1.016 ( 1.802 7.868 -6.655) 10.462 1.123 ( -1.182 7.596 -0.403) 7.698 1.152 ( 0.381 5.890 -0.102) 5.904 1.244 ( 0.790 6.707 8.034) 10.496 1.437 ( 4.112 3.341 -0.899) 5.374 1.557 ( 1.196 0.510 -2.189) 2.546 1.644 ( -0.339 7.920 -0.587) 7.949 1.652 ( -3.595 16.997 4.885) 18.047 1.878 ( 0.077 18.160 0.257) 18.162 2.012 ( 0.684 12.146 -0.141) 12.166 2.094 ( -1.603 1.720 4.120) 4.743 2.291 ( 0.443 4.654 1.357) 4.868 2.360 ( -0.935 7.722 -4.829) 9.156 2.390 ( -0.142 11.583 -0.636) 11.601 2.466 ( -0.128 2.890 -3.431) 4.488 2.558 ( -0.160 1.862 1.815) 2.605 2.861 ( -1.314 4.867 -11.244) 12.322 3.334 ( 0.399 4.483 8.135) 9.297 3.539 ( 0.004 41.933 -0.238) 41.934 3.714 ( 1.653 44.434 1.892) 44.505 4.283 ( -0.335 2.692 0.221) 2.722 4.321 ( 1.011 9.958 -6.948) 12.184 4.364 ( -0.064 2.727 0.263) 2.740 4.461 ( -1.884 4.701 -2.309) 5.566 4.706 ( 0.678 -2.068 -0.982) 2.387 4.835 ( 1.333 -0.183 0.339) 1.388 4.892 ( 1.264 -1.806 1.208) 2.513 5.056 ( -1.071 -5.092 0.004) 5.203 5.151 ( -0.758 -5.527 2.365) 6.060 5.265 ( 1.789 4.710 -0.574) 5.071 5.290 ( 0.448 4.829 -0.782) 4.912 5.333 ( 1.183 -2.943 -1.864) 3.679 5.464 ( 1.338 -3.538 2.462) 4.514 5.566 ( 1.383 -1.200 0.355) 1.865 5.650 ( 0.471 -1.304 -0.645) 1.529 5.669 ( 3.150 -0.554 1.686) 3.615 5.965 ( -0.911 -3.724 -2.616) 4.641 6.056 ( 0.784 0.908 0.693) 1.385 6.296 ( 0.755 0.030 0.908) 1.181 6.387 ( -3.769 -6.894 0.732) 7.891 6.526 ( -0.020 -3.357 -0.707) 3.430 6.549 ( -0.537 -3.291 0.115) 3.337======================= Grid point 218 (71/219) =======================q-point: (-0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( -5.802 12.998 7.419) 16.051 0.602 ( -2.830 12.322 14.818) 19.479 0.789 ( -2.290 12.748 -0.437) 12.959 0.870 ( 0.357 14.077 6.382) 15.461 0.949 ( 2.276 1.862 -3.385) 4.484 1.023 ( 0.194 7.081 -2.546) 7.527 1.143 ( 0.616 8.630 3.829) 9.461 1.253 ( 1.136 9.267 0.688) 9.362 1.380 ( 0.421 15.363 -2.875) 15.635 1.523 ( 0.278 15.579 1.457) 15.649 1.558 ( 1.149 0.829 -1.323) 1.939 1.620 ( -0.818 -2.993 0.319) 3.119 1.807 ( -0.290 7.149 4.362) 8.379 2.057 ( 1.081 11.999 1.488) 12.139 2.073 ( -1.366 8.329 1.349) 8.548 2.181 ( -0.854 10.018 -1.506) 10.167 2.302 ( -0.199 0.195 -3.289) 3.301 2.391 ( -0.617 27.871 -7.290) 28.815 2.464 ( -0.489 3.506 -5.166) 6.262 2.597 ( -0.018 39.746 0.081) 39.746 2.625 ( 0.762 7.842 4.112) 8.888 3.033 ( -0.662 14.091 -6.673) 15.605 3.393 ( 1.148 0.027 6.515) 6.615 3.873 ( 1.432 40.980 -34.580) 53.640 4.243 ( -0.458 1.910 -0.303) 1.988 4.327 ( 0.042 1.225 0.073) 1.228 4.376 ( -0.859 2.475 -0.629) 2.695 4.738 ( 1.620 -1.055 -0.979) 2.167 4.836 ( 3.148 1.002 1.907) 3.815 4.913 ( 1.431 -0.160 -0.067) 1.441 5.132 ( -1.608 -2.866 -0.202) 3.292 5.208 ( 0.457 1.174 0.551) 1.375 5.221 ( -0.773 1.676 0.272) 1.865 5.229 ( -0.451 -1.480 0.132) 1.553 5.405 ( 4.598 -2.978 1.172) 5.602 5.569 ( 0.008 -4.825 3.023) 5.694 5.622 ( 2.276 -4.274 2.841) 5.614 5.692 ( -0.372 -1.982 -1.008) 2.255 5.733 ( 12.187 -4.371 7.126) 14.779 6.034 ( -2.035 -3.495 -1.690) 4.383 6.053 ( 0.579 -0.750 0.051) 0.949 6.311 ( 0.717 -0.693 2.469) 2.663 6.492 ( -7.429 -7.213 0.502) 10.366 6.590 ( 0.565 -2.913 0.119) 2.970 6.607 ( -1.405 -3.128 0.353) 3.448======================= Grid point 220 (72/219) =======================q-point: ( 0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.263 ( 4.531 0.000 11.123) 12.010 0.439 ( -0.854 -0.000 0.660) 1.080 0.476 ( 5.425 0.000 15.139) 16.082 0.645 ( -1.381 -0.000 -0.718) 1.556 0.859 ( 2.845 0.000 15.379) 15.640 0.863 ( 0.954 0.000 -9.443) 9.491 1.001 ( 4.105 0.000 0.265) 4.114 1.114 ( -1.897 -0.000 -1.169) 2.229 1.177 ( -0.147 -0.000 0.474) 0.496 1.376 ( -0.393 -0.000 7.093) 7.104 1.455 ( 1.239 0.000 -0.199) 1.255 1.566 ( -3.350 -0.000 -3.042) 4.525 1.647 ( -2.215 -0.000 0.165) 2.221 1.801 ( 1.371 0.000 3.875) 4.110 1.953 ( 0.292 0.000 1.450) 1.479 2.049 ( -0.201 -0.000 -0.910) 0.932 2.157 ( 2.037 0.000 -13.868) 14.017 2.172 ( -0.081 -0.000 0.475) 0.482 2.388 ( -0.569 -0.000 -3.585) 3.630 2.549 ( 2.181 0.000 0.550) 2.249 2.605 ( 0.178 0.000 -0.079) 0.195 2.780 ( -2.233 -0.000 2.644) 3.461 2.946 ( -1.641 -0.000 -5.820) 6.047 3.452 ( 1.516 0.000 3.023) 3.382 4.221 ( -0.020 -0.000 -0.061) 0.064 4.316 ( -0.099 -0.000 0.071) 0.121 4.352 ( -0.189 -0.000 -0.022) 0.190 4.748 ( -0.554 -0.000 -1.361) 1.469 4.874 ( 0.698 0.000 1.257) 1.438 4.917 ( -1.213 -0.000 0.074) 1.215 5.133 ( -1.025 -0.000 -0.148) 1.036 5.191 ( -0.146 -0.000 0.031) 0.149 5.210 ( -0.134 -0.000 -0.041) 0.140 5.223 ( -2.307 -0.000 3.155) 3.909 5.451 ( 0.312 0.000 -1.649) 1.678 5.598 ( -2.141 -0.000 1.871) 2.843 5.666 ( -3.953 -0.000 1.826) 4.355 5.698 ( 0.149 0.000 -1.418) 1.426 5.973 ( -7.121 -0.000 -2.224) 7.461 6.043 ( -4.270 -0.000 0.924) 4.369 6.072 ( -1.470 -0.000 -0.409) 1.526 6.399 ( 6.608 0.000 2.121) 6.940 6.459 ( -3.891 -0.000 2.384) 4.563 6.627 ( -0.193 -0.000 -0.218) 0.291 6.684 ( 3.400 0.000 -1.017) 3.549======================= Grid point 221 (73/219) =======================q-point: ( 0.14 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.412 ( 2.143 -10.485 8.914) 13.928 0.684 ( -0.433 -7.147 6.101) 9.407 0.771 ( 3.210 -11.134 1.130) 11.643 0.944 ( 2.577 -4.583 -2.564) 5.850 0.961 ( 0.495 -11.246 1.017) 11.303 1.020 ( 1.952 -4.934 -2.460) 5.848 1.225 ( 0.411 -9.150 6.596) 11.287 1.271 ( -0.364 -17.794 4.492) 18.356 1.357 ( -0.368 -14.441 -0.473) 14.453 1.507 ( -3.157 -0.634 0.382) 3.243 1.535 ( -0.771 -13.126 -0.889) 13.178 1.590 ( -2.888 1.372 0.667) 3.266 1.866 ( 2.824 -7.826 2.652) 8.732 2.052 ( -0.149 -16.231 0.526) 16.240 2.122 ( 1.402 -5.984 1.498) 6.326 2.135 ( 0.624 -6.443 -5.920) 8.772 2.250 ( -1.406 -16.785 -3.029) 17.114 2.356 ( 0.169 -17.946 -2.011) 18.059 2.420 ( 0.918 -3.779 -5.265) 6.545 2.589 ( -0.310 -38.990 -0.233) 38.992 2.676 ( 1.356 -1.048 2.121) 2.727 2.960 ( -2.945 -21.407 -2.056) 21.706 3.460 ( 1.517 0.287 2.461) 2.906 3.572 ( -6.565 -45.248 -16.304) 48.541 4.242 ( 0.348 -2.086 0.001) 2.115 4.328 ( -0.029 -1.335 0.065) 1.336 4.368 ( 0.207 -1.796 0.088) 1.810 4.732 ( -0.755 0.988 -1.077) 1.645 4.872 ( -0.159 0.370 0.179) 0.441 4.908 ( -1.685 0.171 -0.332) 1.726 5.103 ( -1.216 2.985 1.722) 3.654 5.195 ( -1.601 1.747 2.597) 3.516 5.218 ( 0.131 -2.587 0.043) 2.590 5.228 ( -0.081 -1.471 -0.486) 1.551 5.427 ( 0.571 2.539 -1.484) 2.996 5.555 ( -3.536 3.756 3.095) 6.016 5.617 ( -2.238 2.532 2.152) 4.006 5.678 ( -0.056 1.658 -1.043) 1.959 5.848 ( -5.903 7.591 0.655) 9.638 5.964 ( -2.356 3.803 -1.300) 4.659 6.058 ( -0.676 0.300 0.742) 1.048 6.387 ( 4.720 3.780 2.311) 6.473 6.423 ( 0.035 2.637 1.045) 2.836 6.597 ( -0.178 2.807 -0.493) 2.856 6.634 ( 2.595 4.864 -0.151) 5.515======================= Grid point 222 (74/219) =======================q-point: ( 0.21 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( -1.239 -12.775 6.234) 14.268 0.827 ( -1.286 -6.435 5.066) 8.290 0.921 ( 0.518 -4.927 0.066) 4.955 1.009 ( 2.912 -3.677 -5.145) 6.962 1.117 ( 0.276 -5.751 0.154) 5.760 1.148 ( -0.171 -6.092 -0.237) 6.099 1.370 ( -0.294 -6.098 7.951) 10.024 1.455 ( -1.244 -0.347 -1.493) 1.974 1.506 ( -2.968 -1.806 -0.893) 3.587 1.605 ( -0.294 -8.947 -4.412) 9.980 1.746 ( 3.064 -21.360 7.246) 22.763 1.869 ( 0.106 -16.601 0.072) 16.602 2.097 ( 2.019 -10.822 5.621) 12.360 2.165 ( 2.727 -1.487 0.935) 3.244 2.197 ( -0.427 -6.379 -9.258) 11.251 2.323 ( -0.809 -9.529 1.841) 9.739 2.346 ( -1.852 -6.743 -1.245) 7.103 2.428 ( 0.673 -4.491 -2.489) 5.179 2.651 ( 2.400 -4.680 1.551) 5.484 2.697 ( -0.406 -1.562 -6.689) 6.880 3.439 ( 0.805 -6.059 4.460) 7.567 3.531 ( -0.080 -42.672 -0.737) 42.678 3.724 ( -2.621 -41.971 1.432) 42.077 4.198 ( -3.331 -25.629 -6.450) 26.637 4.298 ( 0.966 -3.986 -0.349) 4.116 4.371 ( 0.289 -3.198 0.506) 3.250 4.422 ( 1.329 -3.372 0.158) 3.628 4.698 ( -0.675 2.140 -0.524) 2.304 4.860 ( -0.031 1.031 -0.159) 1.044 4.899 ( -2.454 -0.780 -0.871) 2.718 5.008 ( -1.081 6.821 2.329) 7.288 5.152 ( -0.602 2.200 1.313) 2.632 5.275 ( 0.147 -3.194 -0.391) 3.221 5.283 ( 0.095 -4.221 -0.288) 4.232 5.342 ( 0.842 6.323 -1.802) 6.628 5.478 ( -1.815 2.475 2.455) 3.930 5.570 ( -0.684 2.271 1.128) 2.626 5.639 ( -0.149 1.869 -0.130) 1.879 5.718 ( -3.591 2.456 -1.153) 4.501 5.889 ( -0.383 2.835 -1.693) 3.324 6.061 ( -1.129 -0.743 0.764) 1.553 6.324 ( 1.737 4.628 -0.800) 5.008 6.373 ( 0.980 3.095 2.385) 4.028 6.529 ( 0.384 3.722 -0.927) 3.855 6.556 ( 0.850 4.007 0.146) 4.098======================= Grid point 223 (75/219) =======================q-point: ( 0.29 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( -1.931 -6.504 1.539) 6.957 0.907 ( -0.777 -1.912 3.154) 3.769 1.022 ( -0.330 -6.863 3.658) 7.784 1.113 ( -0.410 -6.916 -4.620) 8.327 1.204 ( -2.528 -4.110 -0.871) 4.903 1.219 ( -1.668 -2.257 0.341) 2.827 1.465 ( 1.478 -2.431 3.059) 4.178 1.497 ( 0.524 -4.494 2.194) 5.028 1.558 ( 0.951 -4.994 -0.102) 5.085 1.753 ( -0.423 -7.299 -3.595) 8.148 2.070 ( 1.067 -4.793 1.853) 5.249 2.115 ( 1.152 -11.083 -0.290) 11.146 2.153 ( 0.061 0.684 1.445) 1.600 2.265 ( 2.049 -6.357 3.627) 7.600 2.398 ( -1.529 -6.209 -0.134) 6.396 2.413 ( -0.829 -11.143 -5.820) 12.599 2.520 ( 1.592 -4.501 2.268) 5.286 2.532 ( -1.355 -8.924 -2.152) 9.280 2.738 ( -0.397 -4.964 -3.837) 6.287 2.784 ( 0.435 -8.536 -0.218) 8.550 3.458 ( 0.338 0.177 2.261) 2.293 4.143 ( 0.784 -18.170 0.051) 18.187 4.346 ( 0.294 -4.579 0.263) 4.596 4.386 ( -0.746 -14.303 1.794) 14.434 4.459 ( 0.584 -9.187 -0.595) 9.225 4.492 ( -0.053 -10.999 -0.363) 11.006 4.557 ( 1.278 -7.395 -1.329) 7.622 4.642 ( -0.801 3.120 -0.063) 3.221 4.834 ( -0.021 1.420 0.059) 1.422 4.873 ( 0.013 5.768 1.534) 5.968 4.917 ( -2.149 -2.455 -0.417) 3.289 5.125 ( 0.165 0.725 3.683) 3.757 5.222 ( 0.534 4.616 -3.120) 5.597 5.317 ( 1.056 -0.894 -0.421) 1.447 5.393 ( 0.097 -6.038 -0.031) 6.039 5.468 ( -0.032 -1.301 0.625) 1.444 5.542 ( 0.292 -0.449 -1.246) 1.356 5.609 ( 0.126 1.641 -0.135) 1.651 5.711 ( -2.403 -2.983 0.263) 3.839 5.855 ( 0.576 0.239 -1.013) 1.189 6.074 ( -1.474 -1.139 -0.121) 1.867 6.240 ( -0.012 4.083 0.863) 4.173 6.323 ( 0.025 2.725 -0.234) 2.735 6.476 ( 0.208 1.573 -0.284) 1.612 6.494 ( 0.086 2.663 0.120) 2.667======================= Grid point 224 (76/219) =======================q-point: ( 0.36 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 0.181 -0.333 -0.635) 0.739 0.932 ( 0.495 -0.501 1.277) 1.458 1.163 ( -1.056 -4.743 1.514) 5.089 1.210 ( -1.738 -4.963 1.735) 5.537 1.239 ( -2.956 -1.744 1.321) 3.678 1.279 ( -3.684 -6.320 -3.262) 8.009 1.539 ( 3.151 -3.476 1.432) 4.905 1.603 ( 1.239 -5.525 0.460) 5.681 1.667 ( 0.828 -5.500 0.400) 5.577 1.864 ( -0.859 -5.300 -0.860) 5.437 2.070 ( 0.179 3.518 0.111) 3.524 2.139 ( -0.892 0.244 0.162) 0.939 2.209 ( 0.068 0.049 -0.933) 0.936 2.359 ( 1.132 -0.860 4.538) 4.755 2.492 ( -0.306 -2.744 -3.326) 4.323 2.574 ( -1.201 -8.029 -3.469) 8.829 2.622 ( -0.139 -7.799 -0.356) 7.808 2.708 ( -0.327 -8.198 1.347) 8.314 2.827 ( -0.401 -4.099 -1.002) 4.239 2.959 ( -1.142 -9.458 -0.338) 9.532 3.453 ( -0.117 0.844 1.474) 1.703 4.346 ( 0.747 -4.725 0.626) 4.824 4.417 ( -0.114 -3.444 0.149) 3.449 4.470 ( -0.181 -1.884 1.223) 2.253 4.497 ( -0.082 1.156 -0.200) 1.176 4.572 ( 0.922 2.796 -0.905) 3.080 4.585 ( -0.856 0.630 -0.319) 1.110 4.726 ( 0.163 -3.517 0.202) 3.526 4.808 ( 0.029 1.613 -0.717) 1.766 4.819 ( 0.280 1.220 0.217) 1.271 4.994 ( -0.707 -4.366 0.938) 4.521 5.153 ( 1.315 -2.209 3.953) 4.716 5.176 ( 0.090 0.052 -4.000) 4.001 5.339 ( 1.763 -1.158 0.089) 2.111 5.459 ( 1.301 -1.190 1.808) 2.526 5.497 ( 0.282 -1.357 -1.228) 1.852 5.555 ( 0.429 2.831 -1.124) 3.076 5.599 ( 0.982 -2.140 -1.261) 2.671 5.795 ( -0.847 -5.277 1.725) 5.616 5.875 ( 0.981 -1.670 -1.325) 2.347 6.089 ( -1.552 -1.396 -0.326) 2.113 6.182 ( -0.255 2.788 2.572) 3.802 6.274 ( -1.100 1.595 -2.096) 2.854 6.457 ( -0.155 1.296 0.214) 1.323 6.469 ( -0.147 -0.475 -0.010) 0.498======================= Grid point 225 (77/219) =======================q-point: ( 0.43 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( 0.877 0.376 -1.035) 1.408 0.935 ( 1.143 0.785 0.859) 1.631 1.196 ( -0.451 -0.459 0.774) 1.007 1.233 ( -0.045 0.463 -0.312) 0.560 1.335 ( -2.449 -6.146 1.976) 6.905 1.378 ( -2.392 -6.339 -1.490) 6.937 1.623 ( 1.535 -3.551 0.248) 3.876 1.696 ( 0.225 -3.277 -0.122) 3.286 1.775 ( 0.829 -5.044 0.507) 5.136 1.941 ( -1.343 -3.518 0.196) 3.771 1.969 ( -1.047 6.017 1.490) 6.287 2.137 ( -0.915 -0.367 -1.059) 1.447 2.176 ( -0.199 2.253 -0.146) 2.266 2.342 ( 0.933 3.135 1.591) 3.637 2.521 ( 0.619 -1.380 -1.571) 2.180 2.660 ( -2.322 -1.981 -1.001) 3.212 2.773 ( -0.550 -7.136 -0.574) 7.180 2.832 ( -0.946 -5.741 -2.102) 6.186 2.891 ( -0.371 -3.770 1.680) 4.144 3.111 ( -0.911 -6.764 -0.248) 6.829 3.432 ( -0.199 1.480 0.632) 1.621 4.377 ( 0.240 0.780 -0.175) 0.834 4.413 ( 1.017 3.675 0.436) 3.837 4.490 ( -0.990 -2.467 0.525) 2.709 4.520 ( 0.342 1.209 1.197) 1.736 4.526 ( 0.281 -2.309 -0.512) 2.382 4.618 ( -1.183 -2.948 -0.545) 3.222 4.750 ( 0.567 -0.240 0.267) 0.671 4.782 ( -0.420 0.387 -1.719) 1.811 4.800 ( -0.152 0.459 0.857) 0.985 5.037 ( -0.415 -1.199 0.830) 1.516 5.173 ( 0.259 0.098 -2.497) 2.512 5.190 ( 1.238 0.294 1.778) 2.186 5.378 ( 1.789 -1.664 0.510) 2.496 5.460 ( 0.041 4.508 -1.132) 4.648 5.497 ( 2.300 -1.818 0.286) 2.945 5.546 ( 0.341 -1.959 -0.052) 1.989 5.611 ( 0.592 1.170 -0.285) 1.342 5.849 ( 0.369 0.606 0.668) 0.974 5.909 ( 1.052 -1.443 -0.026) 1.786 6.110 ( -1.282 -1.091 -0.777) 1.854 6.119 ( 0.074 3.973 1.329) 4.190 6.246 ( -1.307 0.771 -0.659) 1.655 6.443 ( -0.205 0.161 0.051) 0.266 6.477 ( -0.225 -0.206 -0.002) 0.306======================= Grid point 226 (78/219) =======================q-point: ( 0.50 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( 0.710 0.497 -0.341) 0.931 0.920 ( 1.017 1.371 0.246) 1.724 1.197 ( -0.274 0.218 0.492) 0.604 1.212 ( 0.240 1.342 -0.301) 1.396 1.423 ( -0.004 -3.239 -0.599) 3.294 1.492 ( -1.007 -6.494 -0.270) 6.577 1.666 ( -0.873 0.364 1.155) 1.492 1.729 ( -0.043 -1.514 -0.834) 1.729 1.820 ( -0.511 1.355 0.934) 1.723 1.911 ( -0.124 -1.126 1.387) 1.791 1.989 ( -1.170 -1.842 1.045) 2.420 2.121 ( 0.348 1.398 -2.180) 2.613 2.145 ( 0.305 1.740 1.237) 2.157 2.292 ( 0.354 1.721 0.093) 1.759 2.549 ( 1.009 -1.257 0.485) 1.683 2.637 ( -2.087 1.716 -1.172) 2.945 2.863 ( -0.740 -3.107 -1.385) 3.481 2.921 ( -0.864 -4.680 -3.651) 5.998 2.989 ( -0.149 -5.470 3.996) 6.776 3.192 ( -0.489 -2.057 -0.729) 2.236 3.403 ( -0.101 1.485 0.164) 1.498 4.352 ( 0.388 1.491 -0.002) 1.540 4.357 ( 0.185 2.318 0.012) 2.325 4.511 ( 0.208 -0.284 0.092) 0.364 4.523 ( -1.212 -0.878 0.086) 1.499 4.581 ( 0.565 -2.666 0.773) 2.832 4.660 ( -0.486 -1.646 -0.532) 1.797 4.750 ( 0.446 0.575 0.440) 0.851 4.778 ( -0.442 -0.451 -0.434) 0.766 4.827 ( -0.537 -3.202 0.263) 3.257 5.040 ( 0.213 1.763 0.305) 1.802 5.167 ( 0.194 -0.607 -2.080) 2.175 5.180 ( 0.439 0.990 1.666) 1.987 5.354 ( 0.079 4.695 -1.038) 4.809 5.433 ( 1.229 -1.863 -1.305) 2.586 5.548 ( 0.327 0.213 2.300) 2.333 5.566 ( 0.952 -1.390 -0.661) 1.810 5.612 ( 0.914 -2.744 0.852) 3.015 5.782 ( 0.427 6.066 -0.166) 6.083 5.936 ( 0.796 -0.829 0.028) 1.149 6.027 ( -0.141 4.741 -0.225) 4.748 6.131 ( -0.651 -1.114 0.150) 1.299 6.221 ( -0.950 1.005 0.002) 1.383 6.444 ( -0.167 -0.324 0.005) 0.364 6.472 ( -0.142 0.536 -0.057) 0.557======================= Grid point 227 (79/219) =======================q-point: (-0.43 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -0.047 0.914 0.765) 1.193 0.909 ( 0.066 0.024 -0.784) 0.787 1.190 ( -0.364 -0.028 -0.058) 0.370 1.200 ( 0.247 0.003 0.037) 0.249 1.439 ( 0.355 1.211 -1.074) 1.657 1.568 ( -1.512 1.034 0.887) 2.035 1.649 ( 0.143 -2.565 0.667) 2.654 1.779 ( 0.247 2.539 0.259) 2.565 1.792 ( -0.239 -4.386 -0.650) 4.440 1.929 ( -0.017 0.599 1.588) 1.697 2.007 ( -0.598 -0.667 1.088) 1.410 2.078 ( 1.086 2.300 -0.395) 2.574 2.129 ( 0.086 0.140 0.111) 0.199 2.284 ( 0.219 -0.214 -0.719) 0.782 2.579 ( 1.787 -0.925 1.804) 2.703 2.608 ( -0.965 -0.078 -1.793) 2.038 2.889 ( 0.004 -0.145 -0.803) 0.816 2.975 ( -0.190 -1.987 -4.186) 4.638 3.084 ( -0.069 -3.062 4.178) 5.180 3.180 ( -0.395 2.638 -1.468) 3.045 3.378 ( 0.062 1.143 0.579) 1.283 4.331 ( -0.208 0.230 0.005) 0.310 4.337 ( 0.075 0.158 0.052) 0.182 4.507 ( -0.487 1.540 0.685) 1.755 4.521 ( -0.682 -0.218 -0.098) 0.723 4.629 ( 0.688 -1.607 0.098) 1.751 4.666 ( 0.331 0.792 -0.163) 0.874 4.740 ( 0.154 0.442 0.236) 0.524 4.792 ( -0.121 -0.992 0.164) 1.013 4.892 ( -0.322 -1.983 0.134) 2.013 4.985 ( 0.070 1.619 -0.471) 1.688 5.155 ( -0.441 1.738 0.783) 1.956 5.213 ( 0.444 -3.426 -0.767) 3.539 5.274 ( 0.278 3.089 -0.789) 3.201 5.435 ( -0.720 1.918 -0.775) 2.191 5.546 ( 0.587 -1.332 2.196) 2.635 5.642 ( -0.089 -4.333 0.343) 4.347 5.654 ( -0.156 6.440 -0.721) 6.482 5.679 ( 0.752 -3.278 -0.704) 3.436 5.926 ( 0.381 2.187 0.119) 2.223 5.981 ( -0.007 -0.747 -0.152) 0.762 6.145 ( -0.015 -0.382 0.116) 0.400 6.211 ( -0.559 -0.565 0.098) 0.801 6.452 ( -0.112 -0.541 -0.209) 0.591 6.461 ( 0.043 0.476 0.179) 0.510======================= Grid point 228 (80/219) =======================q-point: (-0.36 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( -0.459 -0.472 0.183) 0.684 0.910 ( -0.949 -0.457 -0.326) 1.103 1.203 ( -0.115 -1.093 0.104) 1.104 1.207 ( -0.200 -0.733 -0.002) 0.760 1.400 ( 0.135 2.454 0.612) 2.533 1.497 ( 0.491 4.573 0.143) 4.602 1.683 ( -0.900 2.946 0.701) 3.159 1.730 ( 1.038 1.016 -1.277) 1.935 1.862 ( -0.189 -1.994 -0.882) 2.188 1.897 ( -0.016 2.937 2.663) 3.965 2.030 ( 0.162 -1.955 1.499) 2.469 2.070 ( 0.932 -1.177 -1.036) 1.824 2.141 ( 0.093 -1.762 0.554) 1.850 2.283 ( 0.059 0.357 -0.641) 0.736 2.578 ( 0.641 2.175 -0.259) 2.282 2.638 ( 1.536 -2.606 0.452) 3.058 2.869 ( 0.705 2.341 -0.356) 2.471 2.974 ( 0.399 0.863 -5.568) 5.649 3.095 ( -0.668 5.098 -2.399) 5.674 3.112 ( 0.512 1.307 4.740) 4.944 3.362 ( 0.104 0.877 1.999) 2.186 4.342 ( -0.398 -1.315 -0.006) 1.374 4.355 ( -0.037 -2.226 0.081) 2.228 4.461 ( -1.236 2.849 1.794) 3.587 4.517 ( -0.368 0.373 -0.057) 0.527 4.630 ( 0.767 2.011 -1.160) 2.445 4.645 ( 1.142 1.532 1.030) 2.171 4.739 ( 0.401 0.031 -0.112) 0.417 4.806 ( -0.094 -0.404 -0.394) 0.573 4.855 ( 0.019 2.932 -0.531) 2.980 5.037 ( -0.890 -4.555 -0.070) 4.641 5.108 ( -0.228 2.973 0.791) 3.085 5.233 ( -0.299 0.630 -1.554) 1.703 5.295 ( 0.900 -3.841 1.484) 4.214 5.388 ( -1.443 1.933 0.500) 2.463 5.551 ( 0.026 3.083 -0.030) 3.083 5.577 ( -0.132 0.087 -0.289) 0.329 5.678 ( -1.382 -0.504 -3.799) 4.074 5.758 ( 0.448 -3.893 1.860) 4.337 5.916 ( -0.043 -1.085 0.236) 1.111 6.020 ( 0.233 -2.957 0.114) 2.968 6.147 ( 0.406 0.258 0.190) 0.517 6.236 ( -0.212 -2.040 -0.135) 2.056 6.449 ( 0.086 0.341 -0.291) 0.457 6.468 ( 0.068 -0.636 0.379) 0.743======================= Grid point 229 (81/219) =======================q-point: (-0.29 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( -0.080 -0.695 -0.115) 0.709 0.916 ( -1.230 -0.821 0.044) 1.480 1.207 ( -0.215 0.243 0.458) 0.561 1.229 ( -0.214 -0.746 -0.344) 0.849 1.360 ( -0.079 1.945 0.741) 2.082 1.414 ( 4.592 5.680 0.676) 7.335 1.576 ( -2.957 5.998 0.613) 6.715 1.681 ( 0.023 5.025 0.711) 5.075 1.808 ( 0.165 5.908 -1.861) 6.196 1.876 ( 0.084 1.008 2.541) 2.735 2.082 ( -0.049 -2.783 1.599) 3.211 2.118 ( 0.988 -2.743 -2.493) 3.836 2.189 ( 0.408 -2.214 0.892) 2.422 2.270 ( -0.422 0.762 -0.212) 0.896 2.519 ( 1.153 4.342 1.666) 4.792 2.684 ( 0.997 -0.993 -0.745) 1.592 2.784 ( 0.367 7.241 -0.377) 7.260 2.929 ( 0.320 2.865 -6.905) 7.483 2.988 ( -0.531 4.939 -3.030) 5.819 3.068 ( 1.279 4.526 3.849) 6.078 3.356 ( 0.113 0.491 4.397) 4.425 4.376 ( -0.022 -2.006 -0.115) 2.009 4.398 ( -1.795 1.226 0.700) 2.284 4.423 ( -0.119 -2.553 2.027) 3.262 4.505 ( -0.169 0.920 0.144) 0.946 4.588 ( 0.813 1.843 -1.102) 2.296 4.610 ( 1.156 2.772 0.846) 3.120 4.736 ( 0.565 0.473 -0.271) 0.785 4.805 ( -0.344 0.053 -0.850) 0.919 4.826 ( -0.204 0.025 -0.501) 0.542 5.053 ( -0.302 2.431 0.637) 2.531 5.091 ( -0.437 -0.308 0.695) 0.877 5.221 ( -0.768 0.151 -0.783) 1.107 5.353 ( -1.554 0.168 0.624) 1.683 5.375 ( 0.934 -2.616 1.745) 3.280 5.520 ( -0.350 -0.137 -0.675) 0.773 5.552 ( -0.442 2.219 -1.335) 2.627 5.661 ( -0.351 0.946 -4.123) 4.245 5.800 ( -0.220 0.336 2.972) 2.999 5.953 ( -0.408 -2.403 -2.034) 3.175 6.076 ( 0.227 -2.286 0.861) 2.453 6.143 ( 0.707 0.429 0.718) 1.095 6.275 ( -0.016 -1.980 -0.700) 2.100 6.445 ( 0.115 0.051 0.020) 0.127 6.476 ( 0.108 0.041 0.262) 0.286======================= Grid point 230 (82/219) =======================q-point: (-0.21 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( 0.238 0.219 0.494) 0.591 0.928 ( -0.882 -0.987 -0.175) 1.335 1.178 ( 0.201 7.169 0.251) 7.176 1.197 ( 0.077 1.844 0.588) 1.937 1.316 ( 1.079 3.606 1.478) 4.044 1.343 ( 4.617 3.348 -0.671) 5.743 1.461 ( -4.761 3.539 0.911) 6.001 1.555 ( -0.141 8.310 4.629) 9.514 1.676 ( -0.004 6.432 -5.319) 8.347 1.845 ( 0.388 3.146 3.353) 4.614 2.129 ( -0.402 -0.279 -2.516) 2.563 2.139 ( 0.324 -0.724 1.778) 1.947 2.207 ( 0.040 2.248 1.681) 2.807 2.242 ( -0.301 1.720 -1.433) 2.259 2.440 ( 1.772 5.278 4.465) 7.137 2.608 ( 0.021 10.162 -0.541) 10.177 2.673 ( 0.192 2.361 -2.673) 3.571 2.815 ( -1.072 7.794 -4.852) 9.243 2.871 ( 0.884 7.971 -1.123) 8.098 2.985 ( 0.441 4.322 -3.592) 5.637 3.364 ( 0.381 0.221 6.723) 6.737 4.330 ( -1.490 4.550 1.455) 5.004 4.390 ( 0.485 2.858 0.440) 2.932 4.469 ( -0.270 0.099 0.623) 0.686 4.499 ( 0.269 -0.459 -0.066) 0.536 4.583 ( 0.361 -0.982 -1.450) 1.788 4.584 ( 0.441 -1.066 0.416) 1.226 4.722 ( 0.260 2.450 0.100) 2.466 4.796 ( -0.261 0.823 0.011) 0.864 4.833 ( -0.352 -0.410 -0.481) 0.723 5.014 ( -0.857 3.184 -0.012) 3.297 5.040 ( 0.332 3.246 3.093) 4.496 5.217 ( -0.749 -0.570 -0.871) 1.282 5.350 ( -1.457 -0.677 -0.406) 1.657 5.419 ( 0.410 -0.873 1.668) 1.927 5.485 ( -0.092 4.467 -0.780) 4.536 5.549 ( 0.190 -2.731 0.125) 2.740 5.617 ( 0.642 2.521 -4.607) 5.291 5.767 ( -0.059 3.304 2.453) 4.116 5.954 ( -0.534 1.567 -3.720) 4.072 6.106 ( 0.789 0.152 -0.080) 0.807 6.161 ( -0.208 -3.032 2.805) 4.136 6.301 ( 0.370 -0.828 -1.432) 1.695 6.454 ( 0.022 -0.944 0.424) 1.035 6.472 ( 0.032 0.153 -0.014) 0.157======================= Grid point 231 (83/219) =======================q-point: (-0.14 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.876 ( -0.260 3.289 2.767) 4.306 0.927 ( -2.137 4.330 -0.556) 4.861 0.971 ( 1.287 9.469 3.096) 10.045 1.146 ( 0.503 4.646 -2.361) 5.235 1.247 ( 0.181 5.684 0.674) 5.727 1.255 ( 0.154 6.019 -1.256) 6.151 1.409 ( 0.289 8.141 7.925) 11.365 1.435 ( -0.489 -1.474 0.524) 1.639 1.570 ( 0.109 2.980 -5.217) 6.009 1.770 ( 0.264 5.575 1.512) 5.782 2.012 ( -0.246 14.863 4.539) 15.542 2.113 ( -0.102 2.470 0.759) 2.586 2.150 ( -0.793 6.318 -1.582) 6.561 2.172 ( 0.447 4.646 -0.554) 4.700 2.362 ( 2.075 4.861 5.100) 7.345 2.447 ( -0.235 4.994 -1.625) 5.257 2.587 ( -0.812 6.385 -3.336) 7.250 2.609 ( -2.274 11.197 -4.087) 12.135 2.690 ( 2.437 10.868 2.067) 11.328 2.895 ( -1.000 3.426 -10.123) 10.734 3.375 ( 0.617 0.497 7.438) 7.480 4.141 ( -0.482 18.039 -0.309) 18.048 4.329 ( -0.033 2.967 0.877) 3.094 4.408 ( -0.661 12.898 0.581) 12.928 4.445 ( 0.125 15.114 -0.143) 15.115 4.471 ( 0.942 6.987 0.396) 7.062 4.563 ( -0.203 6.294 -1.760) 6.538 4.656 ( -0.059 -2.623 -0.360) 2.648 4.814 ( 0.265 -2.822 1.609) 3.260 4.843 ( 0.334 -2.362 1.534) 2.836 4.971 ( -0.735 -1.736 -1.304) 2.293 5.064 ( -0.259 -3.387 4.056) 5.290 5.248 ( -0.271 -3.536 -1.947) 4.046 5.340 ( -0.783 1.808 -2.180) 2.938 5.386 ( -0.240 4.811 1.047) 4.930 5.435 ( 0.931 -0.298 1.924) 2.158 5.566 ( 1.277 1.258 -4.260) 4.622 5.609 ( -0.026 -2.596 -0.171) 2.602 5.709 ( 1.009 2.605 2.182) 3.545 5.916 ( -0.889 0.063 -3.469) 3.581 6.088 ( 0.926 1.605 0.153) 1.859 6.253 ( -1.661 -5.773 1.292) 6.144 6.306 ( 0.886 0.156 -0.418) 0.992 6.475 ( 0.068 -1.642 -0.310) 1.672 6.493 ( -0.186 -2.343 0.155) 2.355======================= Grid point 232 (84/219) =======================q-point: (-0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( -2.700 15.620 5.557) 16.797 0.794 ( -1.482 7.124 7.547) 10.483 0.926 ( -0.743 3.536 -0.437) 3.640 1.007 ( 2.380 7.197 -6.593) 10.046 1.114 ( -0.373 7.136 -0.030) 7.146 1.153 ( 0.081 6.244 -0.356) 6.255 1.289 ( 0.548 6.664 9.376) 11.516 1.464 ( 2.311 0.199 -1.488) 2.756 1.554 ( -0.427 -1.820 -1.527) 2.414 1.636 ( -0.392 10.509 -0.558) 10.531 1.653 ( -0.739 19.738 5.242) 20.436 1.876 ( -0.498 17.617 0.080) 17.624 2.027 ( 1.657 11.672 1.611) 11.899 2.105 ( -0.012 1.167 4.520) 4.668 2.291 ( -0.236 3.695 -4.468) 5.803 2.324 ( -1.665 11.171 -1.331) 11.372 2.389 ( -0.229 10.811 -0.872) 10.848 2.446 ( -0.130 2.321 -4.339) 4.923 2.578 ( 1.859 2.660 2.907) 4.357 2.799 ( -1.327 4.281 -10.886) 11.773 3.373 ( 0.563 5.425 7.378) 9.175 3.537 ( -0.063 41.847 -0.437) 41.849 3.732 ( 0.172 42.871 2.200) 42.927 4.280 ( -0.331 2.943 -0.634) 3.028 4.302 ( 1.210 14.565 -7.076) 16.238 4.365 ( -0.036 2.733 0.326) 2.752 4.431 ( -1.827 4.458 -2.071) 5.244 4.707 ( 0.271 -2.298 -0.668) 2.408 4.848 ( 0.862 -0.825 0.579) 1.326 4.908 ( 0.684 -1.537 1.456) 2.225 5.039 ( -1.907 -5.418 -0.660) 5.782 5.152 ( -0.719 -4.302 1.680) 4.674 5.272 ( 0.387 3.507 -0.246) 3.537 5.289 ( 0.083 4.693 -0.732) 4.751 5.338 ( 1.196 -4.914 -1.814) 5.373 5.480 ( -0.155 -3.813 2.228) 4.419 5.574 ( 0.145 -2.030 0.059) 2.036 5.647 ( -0.263 -2.016 -0.580) 2.114 5.715 ( 2.832 -1.854 2.945) 4.487 5.940 ( -1.412 -3.644 -3.418) 5.192 6.065 ( 0.442 1.104 0.461) 1.275 6.307 ( 0.406 -0.586 0.920) 1.164 6.359 ( -1.976 -5.264 0.697) 5.666 6.526 ( 0.431 -3.531 -0.573) 3.603 6.546 ( -0.102 -3.118 0.116) 3.122======================= Grid point 235 (85/219) =======================q-point: ( 0.14 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.377 ( 8.889 0.000 8.663) 12.412 0.428 ( -1.247 -0.000 -0.387) 1.306 0.602 ( 6.953 0.000 13.390) 15.088 0.639 ( 1.588 0.000 -1.913) 2.486 0.837 ( 2.323 0.000 -9.900) 10.169 0.938 ( 2.273 0.000 8.627) 8.921 1.046 ( 3.278 0.000 2.004) 3.842 1.087 ( -2.611 -0.000 -0.948) 2.778 1.175 ( -0.879 -0.000 0.540) 1.031 1.412 ( 0.302 0.000 9.450) 9.455 1.471 ( 2.120 0.000 -0.203) 2.130 1.507 ( -5.116 -0.000 -3.762) 6.351 1.615 ( -4.288 -0.000 -0.322) 4.300 1.834 ( 2.670 0.000 1.666) 3.147 1.960 ( 0.017 0.000 0.830) 0.831 2.044 ( -0.115 -0.000 -0.588) 0.599 2.125 ( 2.896 0.000 -11.506) 11.865 2.174 ( -0.027 -0.000 0.393) 0.394 2.371 ( -0.315 -0.000 -2.215) 2.237 2.575 ( 2.505 0.000 -0.193) 2.512 2.607 ( 0.318 0.000 -0.046) 0.321 2.773 ( -2.115 -0.000 3.932) 4.465 2.895 ( -3.529 -0.000 -5.435) 6.481 3.478 ( 1.746 0.000 1.552) 2.337 4.220 ( -0.057 -0.000 -0.059) 0.082 4.315 ( -0.165 -0.000 0.050) 0.172 4.349 ( -0.335 -0.000 -0.003) 0.335 4.732 ( -1.440 -0.000 -1.095) 1.809 4.870 ( -2.383 -0.000 -0.013) 2.384 4.905 ( -0.672 -0.000 -0.142) 0.687 5.129 ( -0.355 -0.000 1.115) 1.170 5.189 ( -0.287 -0.000 0.005) 0.287 5.208 ( -0.221 -0.000 -0.012) 0.221 5.219 ( -1.876 -0.000 4.179) 4.581 5.446 ( -0.013 -0.000 -1.249) 1.249 5.577 ( -4.037 -0.000 2.594) 4.798 5.636 ( -3.891 -0.000 3.010) 4.920 5.693 ( 0.173 0.000 -1.512) 1.522 5.873 ( -9.182 -0.000 -4.910) 10.413 5.998 ( -5.124 -0.000 2.717) 5.800 6.063 ( -0.633 -0.000 0.470) 0.789 6.446 ( 2.139 0.000 -3.190) 3.841 6.480 ( 4.037 0.000 6.997) 8.079 6.623 ( -0.290 -0.000 -0.573) 0.643 6.708 ( 2.647 0.000 -1.492) 3.038======================= Grid point 236 (86/219) =======================q-point: ( 0.21 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.487 ( 4.934 -6.760 8.480) 11.914 0.698 ( 1.144 -5.813 0.740) 5.970 0.825 ( 3.767 -7.968 5.467) 10.371 0.948 ( 2.671 -7.649 -5.417) 9.746 0.975 ( 0.695 -10.205 1.686) 10.366 1.032 ( 2.304 -3.529 -1.916) 4.630 1.237 ( -1.008 -9.366 2.342) 9.706 1.276 ( -1.934 -16.836 0.429) 16.952 1.363 ( -1.527 -15.214 5.135) 16.130 1.469 ( -2.268 -2.499 -5.293) 6.277 1.529 ( -1.101 -6.932 2.087) 7.323 1.573 ( -1.628 -6.394 3.778) 7.603 1.904 ( 3.393 -7.351 0.125) 8.097 2.052 ( -0.559 -15.790 0.812) 15.821 2.116 ( 0.706 -4.744 -2.140) 5.252 2.140 ( 1.975 -4.802 -3.665) 6.356 2.231 ( -1.131 -32.857 0.742) 32.884 2.350 ( -0.099 -6.339 -0.167) 6.342 2.410 ( 1.226 -4.564 -4.483) 6.514 2.586 ( -0.275 -38.328 -0.037) 38.329 2.696 ( 1.376 0.323 0.645) 1.554 2.921 ( -3.591 -21.686 -0.478) 21.987 3.446 ( -5.813 -37.637 -8.549) 39.031 3.488 ( 0.458 -6.159 1.423) 6.337 4.247 ( 0.539 -2.507 0.030) 2.564 4.328 ( 0.005 -1.501 0.038) 1.502 4.372 ( 0.412 -2.399 0.228) 2.444 4.717 ( -1.295 0.622 -0.952) 1.724 4.853 ( -3.252 -0.090 -1.107) 3.437 4.895 ( -0.468 0.782 -0.307) 0.962 5.105 ( -0.481 2.920 2.660) 3.979 5.193 ( -1.260 1.967 3.124) 3.901 5.218 ( 0.028 -2.459 -0.435) 2.497 5.225 ( -0.165 -1.872 -0.175) 1.887 5.426 ( 0.506 2.187 -1.355) 2.622 5.531 ( -4.144 3.094 3.585) 6.293 5.604 ( -2.325 1.647 1.818) 3.380 5.673 ( 0.010 1.596 -0.984) 1.875 5.767 ( -7.311 4.643 -5.461) 10.239 5.944 ( -1.668 3.195 1.442) 3.882 6.055 ( -0.735 0.340 1.076) 1.347 6.420 ( 2.601 3.214 -3.748) 5.581 6.457 ( 3.130 4.570 6.502) 8.542 6.592 ( -0.121 2.704 -0.761) 2.812 6.657 ( 2.299 5.190 -0.340) 5.687======================= Grid point 237 (87/219) =======================q-point: ( 0.29 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( 0.037 -9.961 6.326) 11.800 0.831 ( -1.460 -6.648 3.039) 7.453 0.929 ( 0.599 -3.660 0.590) 3.755 1.018 ( 2.828 -2.299 -3.867) 5.314 1.118 ( -0.233 -4.534 0.146) 4.542 1.145 ( -0.144 -5.467 -0.187) 5.472 1.397 ( -0.345 -6.365 5.404) 8.357 1.434 ( -1.509 -2.724 -1.732) 3.564 1.470 ( -3.136 -4.698 -1.266) 5.789 1.584 ( -0.467 -8.628 -3.077) 9.172 1.803 ( 2.877 -19.761 4.454) 20.460 1.874 ( 0.868 -16.572 0.023) 16.595 2.136 ( 1.535 -13.666 -1.352) 13.818 2.163 ( 2.086 -1.749 -2.371) 3.610 2.196 ( 1.566 -2.640 1.150) 3.278 2.318 ( -1.429 -11.960 0.924) 12.081 2.333 ( -0.581 -2.503 1.836) 3.159 2.422 ( 0.182 -5.409 -1.936) 5.747 2.650 ( 0.352 -3.765 -6.059) 7.142 2.700 ( 1.878 -1.638 2.425) 3.477 3.463 ( 0.910 -4.048 2.479) 4.833 3.526 ( -0.135 -44.960 -0.695) 44.966 3.697 ( -3.557 -43.826 0.329) 43.971 4.141 ( -3.705 -29.662 -3.234) 30.067 4.307 ( 0.954 -3.503 -0.240) 3.638 4.377 ( 0.608 -3.462 0.425) 3.540 4.438 ( 1.367 -3.739 0.514) 4.014 4.688 ( -0.847 1.941 -0.456) 2.166 4.847 ( -2.561 -1.207 -1.629) 3.266 4.871 ( -1.527 0.815 -0.569) 1.822 5.013 ( -0.688 7.075 3.218) 7.803 5.152 ( -0.704 1.836 1.219) 2.314 5.271 ( -0.432 -4.214 -0.780) 4.308 5.287 ( 0.896 -3.292 -0.167) 3.415 5.341 ( 0.703 6.515 -1.815) 6.800 5.469 ( -1.931 1.707 2.133) 3.345 5.569 ( -0.684 1.881 1.114) 2.290 5.638 ( -0.100 1.729 0.114) 1.735 5.665 ( -4.301 0.573 -3.977) 5.886 5.888 ( 0.537 2.478 0.536) 2.592 6.053 ( -1.201 -0.340 0.920) 1.550 6.336 ( 1.969 5.513 -2.221) 6.262 6.396 ( 1.028 4.202 3.558) 5.601 6.528 ( 0.281 3.499 -0.918) 3.629 6.566 ( 1.041 4.746 0.097) 4.860======================= Grid point 238 (88/219) =======================q-point: ( 0.36 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( -1.218 -6.186 2.106) 6.647 0.911 ( -1.293 -2.077 3.238) 4.058 1.029 ( -1.857 -6.989 2.779) 7.748 1.087 ( 0.080 -5.439 -4.823) 7.270 1.175 ( -2.699 -2.764 -0.180) 3.867 1.206 ( -1.408 -1.930 0.162) 2.394 1.492 ( 1.701 -3.632 1.600) 4.318 1.512 ( 0.737 -5.047 1.987) 5.473 1.562 ( 0.550 -5.928 -1.883) 6.244 1.736 ( -0.325 -7.514 -1.284) 7.630 2.087 ( 1.202 -3.562 0.352) 3.775 2.128 ( 1.265 -10.519 0.523) 10.607 2.160 ( 0.232 1.508 1.272) 1.986 2.280 ( 0.966 -7.341 -4.466) 8.647 2.383 ( -0.681 -8.788 0.051) 8.814 2.402 ( 0.207 -6.340 1.487) 6.515 2.502 ( -1.424 -6.346 -2.210) 6.870 2.554 ( 1.011 -8.264 4.011) 9.241 2.715 ( -0.233 -6.297 -4.261) 7.607 2.792 ( 0.221 -6.317 1.546) 6.507 3.466 ( 0.170 0.425 0.147) 0.481 4.152 ( 0.945 -18.651 0.213) 18.676 4.348 ( 0.086 -4.284 -0.200) 4.290 4.392 ( 0.055 -15.745 2.652) 15.967 4.458 ( 0.094 -7.699 -1.321) 7.812 4.490 ( 0.189 -11.979 -0.513) 11.992 4.562 ( 0.792 -7.198 -1.014) 7.312 4.633 ( -0.934 2.973 0.130) 3.119 4.832 ( -0.123 1.263 -0.570) 1.391 4.870 ( -1.032 3.380 -1.293) 3.763 4.901 ( -1.649 -1.383 2.771) 3.508 5.138 ( -0.451 -0.631 2.576) 2.690 5.217 ( 0.808 5.340 -2.420) 5.918 5.330 ( 1.599 -1.031 0.327) 1.931 5.391 ( 0.051 -7.363 -0.910) 7.420 5.468 ( -0.162 -1.596 -0.298) 1.632 5.542 ( 0.431 -0.221 -0.541) 0.726 5.610 ( 0.064 1.578 -0.054) 1.581 5.684 ( -2.620 -4.319 -0.890) 5.130 5.867 ( 1.468 0.325 1.205) 1.926 6.059 ( -1.512 -0.868 -0.026) 1.743 6.245 ( 0.249 3.988 0.837) 4.082 6.320 ( -0.475 4.152 -0.373) 4.195 6.477 ( 0.257 1.601 -0.238) 1.638 6.496 ( 0.108 2.915 0.138) 2.920======================= Grid point 239 (89/219) =======================q-point: ( 0.43 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.907 ( 0.303 -0.592 -0.656) 0.934 0.942 ( 0.393 -0.963 1.376) 1.725 1.160 ( -1.358 -4.572 2.191) 5.249 1.181 ( -4.980 -6.905 -0.429) 8.524 1.225 ( -0.885 -1.736 -0.101) 1.951 1.237 ( -2.023 -5.358 -0.650) 5.764 1.574 ( 2.804 -3.285 1.053) 4.446 1.617 ( 0.909 -4.928 0.571) 5.044 1.674 ( 1.154 -5.838 -1.367) 6.106 1.854 ( -0.824 -5.172 0.263) 5.244 2.074 ( 0.182 4.111 0.723) 4.178 2.131 ( -0.858 0.883 0.210) 1.249 2.208 ( 0.180 0.565 -0.162) 0.615 2.370 ( 0.074 -1.565 -3.079) 3.455 2.482 ( -0.021 -3.027 -0.759) 3.121 2.557 ( -0.178 -7.063 -0.083) 7.065 2.613 ( -0.738 -8.407 -0.914) 8.489 2.718 ( -0.034 -6.605 3.243) 7.358 2.821 ( -0.365 -4.407 0.074) 4.423 2.944 ( -1.236 -9.388 -0.756) 9.499 3.453 ( -0.357 0.868 -0.513) 1.070 4.356 ( 0.735 -4.262 0.368) 4.340 4.416 ( -0.299 -3.459 0.336) 3.488 4.474 ( -0.013 -1.747 0.874) 1.953 4.495 ( -0.205 0.305 -0.261) 0.451 4.574 ( -0.957 1.191 -0.479) 1.602 4.579 ( 1.016 2.856 -0.665) 3.103 4.727 ( 0.042 -3.347 -0.414) 3.372 4.804 ( 0.125 1.643 -0.709) 1.794 4.825 ( 0.320 1.327 1.053) 1.724 4.991 ( -0.603 -4.947 1.106) 5.105 5.160 ( 0.116 -0.359 -3.930) 3.948 5.180 ( 0.981 -1.844 3.318) 3.921 5.360 ( 1.836 -1.324 0.674) 2.361 5.481 ( 1.536 -1.835 1.438) 2.792 5.493 ( 0.365 -1.199 -2.009) 2.368 5.554 ( 0.271 2.641 -1.281) 2.948 5.604 ( 0.979 -2.214 -0.619) 2.498 5.788 ( -1.132 -6.529 -0.090) 6.627 5.889 ( 1.458 -1.219 1.568) 2.463 6.073 ( -1.489 -1.459 -0.170) 2.091 6.191 ( 0.037 2.946 1.871) 3.490 6.251 ( -1.564 1.553 -1.608) 2.728 6.455 ( -0.165 1.362 0.021) 1.373 6.468 ( -0.109 -0.337 0.079) 0.363======================= Grid point 240 (90/219) =======================q-point: ( 0.50 0.14 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( 0.829 0.224 -1.158) 1.441 0.951 ( 1.042 0.715 1.036) 1.634 1.194 ( -0.634 -0.739 0.654) 1.173 1.230 ( -0.205 0.178 -0.348) 0.441 1.314 ( -3.226 -7.578 0.550) 8.255 1.354 ( -1.161 -6.885 -0.356) 6.991 1.642 ( 1.931 -2.283 0.398) 3.016 1.697 ( 0.106 -2.851 -0.067) 2.853 1.786 ( 0.973 -4.858 0.191) 4.958 1.922 ( -1.433 -1.979 -1.761) 3.012 1.973 ( -1.257 4.634 3.886) 6.177 2.123 ( -0.741 -0.278 -1.434) 1.638 2.175 ( -0.126 1.901 0.530) 1.978 2.346 ( 0.096 2.691 -2.243) 3.505 2.525 ( 0.689 -1.802 -0.031) 1.929 2.634 ( -1.750 -1.512 -0.777) 2.439 2.764 ( -0.611 -6.791 -0.512) 6.838 2.819 ( -0.364 -4.628 -0.584) 4.679 2.899 ( -0.317 -4.497 3.478) 5.694 3.099 ( -0.860 -7.025 -1.200) 7.178 3.428 ( -0.491 1.316 -0.972) 1.708 4.379 ( 0.350 0.931 -0.157) 1.007 4.424 ( 0.793 3.776 0.386) 3.877 4.481 ( -0.999 -2.488 0.318) 2.700 4.522 ( 0.368 1.240 -0.490) 1.383 4.534 ( 0.252 -2.300 1.215) 2.613 4.603 ( -1.168 -3.114 -1.161) 3.522 4.750 ( -0.009 -0.676 -2.161) 2.264 4.780 ( 0.340 0.905 1.147) 1.501 4.804 ( -0.013 0.651 1.316) 1.468 5.037 ( -0.363 -1.170 0.954) 1.553 5.166 ( 0.553 -0.085 -2.332) 2.398 5.207 ( 0.688 0.520 1.427) 1.667 5.397 ( 1.672 -1.437 0.345) 2.232 5.452 ( 0.151 4.537 -2.851) 5.361 5.521 ( 1.770 -1.727 0.929) 2.642 5.550 ( 0.419 -2.009 0.288) 2.072 5.619 ( 0.714 1.139 0.820) 1.575 5.852 ( 0.113 0.174 -0.463) 0.508 5.921 ( 0.890 -1.004 1.088) 1.727 6.095 ( -1.011 -1.000 -0.684) 1.578 6.122 ( -0.219 3.753 0.045) 3.760 6.234 ( -0.969 0.481 0.669) 1.272 6.441 ( -0.173 0.164 -0.017) 0.239 6.475 ( -0.205 -0.209 -0.010) 0.293======================= Grid point 241 (91/219) =======================q-point: ( 0.57 0.14 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 0.496 0.482 -0.639) 0.942 0.931 ( 0.900 1.889 0.623) 2.183 1.194 ( -0.540 0.394 0.245) 0.712 1.215 ( 0.423 1.088 -0.088) 1.170 1.422 ( 0.382 -3.830 -0.592) 3.894 1.481 ( -0.919 -6.999 -0.109) 7.060 1.664 ( -0.671 1.412 1.350) 2.065 1.725 ( -0.134 -1.513 -0.467) 1.589 1.819 ( -0.538 1.311 1.012) 1.741 1.913 ( -0.328 -1.649 0.443) 1.739 1.983 ( -1.056 -1.828 1.432) 2.551 2.112 ( 0.181 0.758 -2.693) 2.803 2.150 ( 0.030 1.442 0.551) 1.544 2.291 ( -0.011 1.683 -1.035) 1.976 2.562 ( 0.555 -1.691 0.795) 1.949 2.615 ( -0.907 1.425 -0.798) 1.868 2.854 ( -0.194 -3.312 -0.828) 3.419 2.901 ( -0.402 -4.351 -2.204) 4.894 3.008 ( -0.090 -5.444 4.862) 7.300 3.182 ( -0.503 -2.183 -1.731) 2.831 3.399 ( -0.341 1.153 -0.785) 1.435 4.355 ( 0.280 1.373 -0.103) 1.405 4.358 ( 0.132 2.818 0.022) 2.821 4.510 ( -0.482 -0.469 -0.202) 0.702 4.517 ( -0.156 -0.594 0.659) 0.901 4.588 ( 0.212 -2.675 0.653) 2.762 4.652 ( -0.439 -2.228 -1.186) 2.562 4.750 ( -0.057 0.227 -1.291) 1.312 4.778 ( 0.091 -0.265 1.322) 1.351 4.826 ( -0.224 -2.762 1.009) 2.950 5.044 ( 0.169 1.573 0.633) 1.704 5.160 ( 0.266 -0.424 -1.956) 2.019 5.190 ( 0.211 1.119 1.357) 1.772 5.350 ( 0.221 4.790 -1.540) 5.036 5.439 ( 1.203 -1.447 -1.577) 2.456 5.554 ( -0.853 1.797 1.981) 2.807 5.575 ( 1.189 -2.905 -0.471) 3.174 5.628 ( 0.991 -2.324 1.627) 3.005 5.785 ( 0.311 6.249 -0.220) 6.261 5.941 ( 0.336 -0.671 -0.681) 1.013 6.024 ( -0.170 4.674 -0.690) 4.727 6.127 ( -0.502 -1.370 0.329) 1.496 6.216 ( -0.464 0.982 0.900) 1.411 6.443 ( -0.115 -0.344 0.003) 0.363 6.471 ( -0.099 0.472 -0.032) 0.484======================= Grid point 242 (92/219) =======================q-point: (-0.36 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( -0.272 1.157 0.557) 1.313 0.907 ( 0.227 0.658 -0.648) 0.951 1.186 ( -0.267 -0.140 -0.069) 0.310 1.203 ( 0.140 0.243 0.090) 0.295 1.447 ( 1.648 1.371 0.122) 2.147 1.555 ( -1.918 1.039 0.902) 2.360 1.651 ( -0.151 -3.235 0.275) 3.250 1.783 ( 0.360 2.430 0.211) 2.466 1.786 ( -0.340 -4.110 -0.507) 4.155 1.932 ( -0.579 0.133 0.802) 0.998 2.006 ( -0.542 -1.056 1.275) 1.742 2.079 ( 0.150 1.778 -2.001) 2.681 2.131 ( 0.186 0.305 0.387) 0.527 2.283 ( 0.214 -0.231 -0.771) 0.833 2.583 ( -1.021 -0.433 -2.122) 2.394 2.613 ( 1.943 -1.299 2.165) 3.186 2.890 ( 0.660 -0.456 0.217) 0.832 2.958 ( 0.104 -1.975 -3.339) 3.881 3.103 ( -0.058 -3.104 4.552) 5.510 3.168 ( -0.346 2.724 -2.215) 3.527 3.379 ( -0.158 0.710 0.255) 0.770 4.328 ( -0.245 0.266 0.048) 0.364 4.339 ( 0.093 0.303 -0.003) 0.317 4.507 ( -0.510 1.628 1.517) 2.283 4.517 ( -0.146 -0.239 -0.174) 0.330 4.633 ( 0.326 -1.494 -0.442) 1.592 4.668 ( 0.226 0.111 -0.332) 0.417 4.741 ( -0.092 0.310 -0.130) 0.349 4.792 ( -0.049 -0.846 0.258) 0.885 4.890 ( -0.233 -2.243 0.306) 2.276 4.986 ( 0.299 2.358 -0.149) 2.381 5.154 ( -0.423 1.679 0.793) 1.905 5.213 ( 0.315 -2.959 -0.929) 3.117 5.276 ( 0.493 2.341 -0.461) 2.437 5.430 ( -0.069 2.440 0.199) 2.449 5.554 ( -0.401 -1.891 0.807) 2.094 5.637 ( -0.582 -2.604 -0.613) 2.738 5.650 ( 0.015 6.679 -0.452) 6.694 5.685 ( 0.797 -3.025 -0.520) 3.171 5.928 ( 0.087 1.850 -0.265) 1.871 5.980 ( -0.026 -0.895 -0.211) 0.920 6.146 ( 0.031 -0.601 0.205) 0.636 6.209 ( -0.141 -0.524 0.691) 0.879 6.451 ( -0.076 -0.361 -0.183) 0.411 6.462 ( 0.084 0.179 0.260) 0.326======================= Grid point 243 (93/219) =======================q-point: (-0.29 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( -0.303 -0.393 0.201) 0.535 0.901 ( -0.499 -0.176 -0.377) 0.650 1.201 ( -0.214 -1.165 -0.121) 1.190 1.206 ( -0.097 -0.631 0.179) 0.663 1.407 ( 0.274 2.961 1.191) 3.204 1.502 ( 0.508 2.965 0.286) 3.022 1.680 ( -0.548 3.502 1.021) 3.689 1.734 ( 0.919 1.190 -1.363) 2.030 1.855 ( -0.412 -2.413 -0.829) 2.584 1.903 ( -0.700 2.900 1.696) 3.432 2.039 ( -0.140 -2.203 2.109) 3.053 2.068 ( 0.209 -1.305 -2.285) 2.640 2.147 ( 0.269 -1.984 0.915) 2.202 2.281 ( 0.047 0.443 -0.528) 0.691 2.571 ( -0.356 1.004 -2.228) 2.469 2.663 ( 1.825 -1.929 2.240) 3.474 2.876 ( 0.788 2.523 0.177) 2.649 2.956 ( 0.510 1.282 -4.590) 4.793 3.077 ( -0.618 5.265 -3.164) 6.174 3.138 ( 0.559 0.962 4.695) 4.825 3.371 ( -0.144 0.361 2.084) 2.120 4.338 ( -0.234 -1.287 -0.007) 1.308 4.355 ( -0.070 -2.088 0.007) 2.089 4.463 ( -0.516 2.934 2.866) 4.134 4.514 ( -0.229 0.379 -0.103) 0.455 4.630 ( 0.348 1.682 -1.637) 2.373 4.658 ( 0.633 1.291 0.917) 1.706 4.740 ( 0.023 -0.137 -0.328) 0.356 4.804 ( 0.083 -0.286 -0.450) 0.540 4.853 ( 0.042 3.201 -0.553) 3.248 5.030 ( -0.398 -4.232 0.092) 4.252 5.111 ( -0.087 2.630 1.293) 2.932 5.223 ( -0.171 0.543 -1.882) 1.966 5.311 ( 0.829 -3.829 2.051) 4.423 5.380 ( -0.732 2.225 1.088) 2.583 5.544 ( -0.640 3.239 -1.637) 3.686 5.579 ( 0.400 0.721 0.526) 0.978 5.646 ( -1.263 -0.592 -4.399) 4.615 5.767 ( 0.205 -4.144 1.092) 4.290 5.915 ( -0.221 -0.477 -0.079) 0.532 6.022 ( 0.129 -3.162 0.239) 3.174 6.151 ( 0.306 0.060 0.277) 0.418 6.236 ( 0.038 -1.934 0.225) 1.947 6.449 ( 0.029 0.223 -0.226) 0.319 6.471 ( 0.108 -0.596 0.439) 0.748======================= Grid point 244 (94/219) =======================q-point: (-0.21 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 0.111 -0.922 -0.009) 0.929 0.907 ( -0.592 -0.742 -0.033) 0.950 1.206 ( -0.488 0.142 0.395) 0.643 1.227 ( 0.125 -0.541 -0.374) 0.669 1.361 ( -0.213 1.884 0.654) 2.005 1.451 ( 2.026 3.413 0.017) 3.969 1.560 ( -1.095 7.823 2.072) 8.167 1.685 ( 0.067 4.673 0.653) 4.719 1.798 ( -0.349 6.406 -2.271) 6.806 1.888 ( 0.004 0.290 3.045) 3.059 2.079 ( -0.937 -2.469 -1.273) 2.931 2.119 ( 0.888 -2.731 -0.311) 2.889 2.197 ( 0.427 -2.161 0.345) 2.230 2.269 ( -0.257 0.789 1.067) 1.352 2.532 ( 0.554 2.785 0.704) 2.926 2.692 ( 0.843 0.268 -0.082) 0.888 2.785 ( 0.211 7.580 -0.400) 7.593 2.904 ( 0.227 3.295 -5.537) 6.447 2.967 ( -0.625 4.790 -4.048) 6.302 3.094 ( 0.786 4.975 3.319) 6.032 3.376 ( -0.007 -0.240 4.579) 4.585 4.377 ( 0.136 -1.737 0.225) 1.756 4.386 ( -1.046 -0.192 0.331) 1.114 4.435 ( 0.325 -1.165 2.967) 3.204 4.504 ( -0.176 0.644 0.078) 0.672 4.585 ( -0.088 2.088 -1.808) 2.764 4.625 ( 0.786 2.661 1.097) 2.984 4.739 ( 0.283 0.253 -0.251) 0.455 4.799 ( -0.063 0.348 -0.787) 0.863 4.822 ( -0.078 0.018 -0.651) 0.656 5.050 ( -0.562 1.897 0.266) 1.997 5.097 ( 0.464 0.036 1.811) 1.870 5.211 ( -0.394 0.173 -1.127) 1.206 5.343 ( -0.852 0.769 0.407) 1.218 5.392 ( 0.717 -2.674 2.486) 3.721 5.511 ( -0.304 -0.498 -1.846) 1.936 5.544 ( -0.086 2.429 -1.177) 2.701 5.641 ( -0.140 0.406 -3.735) 3.759 5.809 ( -0.282 0.403 2.482) 2.530 5.937 ( -0.447 -1.790 -2.940) 3.471 6.083 ( 0.183 -2.508 1.359) 2.858 6.151 ( 0.219 0.139 0.502) 0.565 6.274 ( 0.145 -1.806 -0.439) 1.864 6.446 ( 0.015 -0.024 0.066) 0.072 6.478 ( 0.084 0.085 0.293) 0.317======================= Grid point 245 (95/219) =======================q-point: (-0.14 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( 0.303 0.078 0.674) 0.743 0.919 ( -0.566 -0.873 -0.387) 1.110 1.177 ( -0.355 5.659 0.128) 5.672 1.200 ( 0.180 2.207 0.511) 2.273 1.321 ( -0.982 3.148 1.035) 3.457 1.377 ( 1.027 5.494 -1.243) 5.726 1.433 ( -0.965 3.237 2.647) 4.291 1.573 ( -0.262 7.146 4.078) 8.232 1.657 ( 0.408 6.888 -4.272) 8.116 1.863 ( 0.403 3.324 2.576) 4.224 2.108 ( -0.838 -0.720 -3.555) 3.723 2.149 ( 0.100 -0.553 1.092) 1.228 2.216 ( 0.274 1.899 0.983) 2.156 2.244 ( 0.356 2.228 2.714) 3.530 2.478 ( 1.717 4.203 4.612) 6.472 2.605 ( -0.043 10.336 -0.904) 10.376 2.660 ( -0.086 3.049 -3.906) 4.956 2.781 ( -1.499 8.344 -4.744) 9.715 2.867 ( 0.329 5.706 -3.345) 6.623 2.978 ( 0.115 7.287 -1.197) 7.386 3.396 ( 0.309 -0.273 6.182) 6.196 4.325 ( -0.658 4.828 1.395) 5.069 4.398 ( 0.632 2.898 0.790) 3.069 4.468 ( -0.397 0.193 0.637) 0.775 4.500 ( 0.117 -0.603 -0.093) 0.621 4.577 ( 0.045 -1.682 -1.650) 2.357 4.592 ( 0.373 -0.215 0.460) 0.630 4.723 ( 0.026 3.023 0.005) 3.023 4.795 ( 0.047 0.140 0.326) 0.358 4.829 ( -0.046 -0.640 -0.668) 0.926 5.007 ( -0.800 3.454 0.402) 3.568 5.061 ( 0.856 2.807 3.670) 4.699 5.208 ( -0.149 -0.464 -1.291) 1.380 5.335 ( -0.734 -0.272 -1.172) 1.409 5.426 ( -0.242 -0.195 1.384) 1.418 5.486 ( 0.602 3.232 -0.167) 3.292 5.552 ( 0.240 -3.134 0.128) 3.146 5.605 ( 0.783 2.502 -4.112) 4.877 5.775 ( -0.344 3.148 2.385) 3.964 5.930 ( -0.586 1.583 -4.624) 4.923 6.112 ( 0.369 0.161 0.073) 0.409 6.169 ( -0.709 -2.593 2.626) 3.758 6.299 ( 0.435 -1.006 -1.302) 1.702 6.456 ( -0.076 -1.003 0.428) 1.093 6.472 ( 0.008 0.340 -0.001) 0.340======================= Grid point 246 (96/219) =======================q-point: (-0.07 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -0.339 3.235 2.668) 4.207 0.903 ( -2.284 4.777 0.051) 5.295 0.992 ( 0.473 8.779 3.061) 9.310 1.141 ( 0.548 5.405 -2.749) 6.088 1.242 ( -1.004 7.012 -0.301) 7.090 1.250 ( -0.804 4.422 -0.019) 4.495 1.427 ( -0.815 1.494 3.751) 4.119 1.454 ( 1.078 4.131 4.614) 6.286 1.553 ( 0.723 2.883 -4.002) 4.985 1.775 ( 0.280 6.220 -0.530) 6.249 2.031 ( 0.315 12.578 3.900) 13.172 2.110 ( 0.011 6.384 -1.230) 6.502 2.145 ( -0.608 1.767 1.591) 2.454 2.186 ( 1.753 5.922 2.108) 6.525 2.404 ( 1.453 6.110 4.726) 7.860 2.437 ( 0.185 5.948 -1.841) 6.229 2.543 ( -2.690 7.896 -6.132) 10.353 2.583 ( -0.738 9.318 -3.046) 9.831 2.721 ( 2.091 9.243 1.654) 9.620 2.842 ( -1.181 4.965 -8.739) 10.120 3.411 ( 0.578 0.286 6.097) 6.131 4.136 ( -0.049 17.791 -0.303) 17.794 4.334 ( 0.194 3.773 0.977) 3.903 4.400 ( -1.207 13.378 0.361) 13.438 4.448 ( 0.516 12.318 -0.047) 12.329 4.484 ( 0.941 8.404 0.621) 8.480 4.554 ( 0.198 7.355 -2.009) 7.627 4.653 ( -0.257 -3.003 -0.228) 3.023 4.824 ( 0.317 -2.465 1.447) 2.876 4.853 ( 0.181 -3.451 1.879) 3.933 4.957 ( -1.008 -0.740 -1.259) 1.774 5.082 ( 0.194 -2.956 4.295) 5.217 5.239 ( 0.245 -3.587 -2.352) 4.296 5.324 ( -0.396 1.222 -2.263) 2.602 5.388 ( -0.208 4.524 0.979) 4.634 5.451 ( 0.605 0.415 1.886) 2.024 5.557 ( 0.592 0.965 -3.596) 3.770 5.609 ( 0.057 -2.228 -0.183) 2.236 5.723 ( -0.072 1.716 2.226) 2.811 5.890 ( -1.015 0.095 -3.958) 4.087 6.093 ( -0.024 1.455 -0.094) 1.459 6.244 ( -1.243 -4.708 1.030) 4.978 6.314 ( 0.844 -0.642 -0.050) 1.061 6.475 ( 0.113 -1.559 -0.300) 1.592 6.493 ( -0.067 -2.360 0.144) 2.365======================= Grid point 250 (97/219) =======================q-point: ( 0.21 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.412 ( -1.450 -0.000 -0.629) 1.580 0.502 ( 9.148 0.000 6.692) 11.334 0.665 ( 4.696 0.000 0.293) 4.705 0.724 ( 6.916 0.000 10.628) 12.680 0.824 ( 3.672 0.000 -9.302) 10.001 0.983 ( 1.696 0.000 3.574) 3.956 1.057 ( -2.802 -0.000 -0.504) 2.847 1.073 ( 0.885 0.000 0.767) 1.171 1.165 ( -1.674 -0.000 0.671) 1.803 1.411 ( -3.911 -0.000 -7.578) 8.528 1.483 ( -0.462 -0.000 8.056) 8.069 1.493 ( 2.449 0.000 -0.267) 2.463 1.568 ( -5.094 -0.000 2.787) 5.806 1.864 ( 3.155 0.000 -1.088) 3.337 1.960 ( -0.315 -0.000 -0.023) 0.315 2.042 ( 0.023 0.000 -0.063) 0.067 2.119 ( 3.605 0.000 -5.438) 6.524 2.175 ( 0.059 0.000 0.273) 0.280 2.363 ( -0.067 -0.000 -0.501) 0.506 2.593 ( 1.505 0.000 -0.756) 1.684 2.611 ( 0.395 0.000 0.004) 0.395 2.774 ( -1.611 -0.000 4.929) 5.186 2.832 ( -3.995 -0.000 -5.912) 7.135 3.500 ( 1.833 0.000 -0.082) 1.835 4.219 ( -0.075 -0.000 -0.055) 0.093 4.313 ( -0.193 -0.000 0.026) 0.195 4.345 ( -0.424 -0.000 0.018) 0.425 4.710 ( -2.087 -0.000 -0.993) 2.311 4.834 ( -3.783 -0.000 -1.354) 4.018 4.901 ( -0.002 -0.000 -0.671) 0.671 5.135 ( 0.085 0.000 1.974) 1.976 5.185 ( -0.366 -0.000 -0.023) 0.366 5.206 ( -0.274 -0.000 0.020) 0.275 5.221 ( -1.548 -0.000 4.128) 4.409 5.442 ( -0.011 -0.000 -0.643) 0.643 5.547 ( -4.279 -0.000 2.809) 5.118 5.610 ( -3.997 -0.000 1.341) 4.216 5.688 ( -0.013 -0.000 -1.240) 1.240 5.758 ( -7.291 -0.000 -8.668) 11.327 5.973 ( -2.796 -0.000 3.779) 4.701 6.061 ( -0.512 -0.000 0.866) 1.006 6.451 ( 1.635 0.000 -2.679) 3.138 6.548 ( 3.857 0.000 5.051) 6.356 6.618 ( -0.035 -0.000 -0.544) 0.545 6.726 ( 1.968 0.000 -0.455) 2.020======================= Grid point 251 (98/219) =======================q-point: ( 0.29 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( 5.166 -3.757 7.079) 9.535 0.722 ( 3.201 -4.097 0.558) 5.229 0.877 ( 1.991 -4.327 4.302) 6.418 0.957 ( 3.165 -9.488 -3.554) 10.614 0.989 ( 1.573 -10.173 -0.161) 10.295 1.046 ( 1.739 -2.569 -1.229) 3.337 1.233 ( -1.105 -10.122 -2.464) 10.476 1.249 ( -2.772 -15.208 2.768) 15.704 1.352 ( -3.871 -9.016 2.054) 10.025 1.418 ( -2.337 -10.946 -6.518) 12.952 1.525 ( -0.365 -6.409 -0.972) 6.493 1.595 ( 0.394 -8.887 6.610) 11.083 1.932 ( 3.162 -7.068 -1.943) 7.983 2.046 ( -0.732 -14.955 0.063) 14.973 2.125 ( -0.336 -8.580 1.270) 8.680 2.144 ( 3.273 -2.070 -2.215) 4.461 2.230 ( -0.818 -42.318 2.089) 42.378 2.356 ( 0.338 0.569 2.274) 2.368 2.403 ( 0.876 -3.215 -3.638) 4.933 2.584 ( -0.205 -38.194 0.164) 38.195 2.707 ( 1.070 0.382 -1.119) 1.595 2.887 ( -3.416 -18.936 0.943) 19.265 3.361 ( -6.191 -42.293 -2.566) 42.821 3.502 ( 1.285 -0.832 -0.486) 1.606 4.253 ( 0.602 -2.977 0.085) 3.038 4.328 ( 0.094 -1.777 -0.031) 1.779 4.377 ( 0.339 -3.166 0.402) 3.209 4.698 ( -1.639 0.046 -1.136) 1.994 4.809 ( -3.919 0.036 -1.985) 4.394 4.890 ( -0.102 0.969 -0.851) 1.294 5.114 ( -0.332 2.922 2.967) 4.177 5.194 ( -1.291 2.447 2.051) 3.444 5.214 ( -0.209 -2.074 -0.529) 2.150 5.226 ( 0.083 -2.747 0.448) 2.785 5.425 ( 0.511 2.141 -1.741) 2.806 5.507 ( -3.569 2.400 3.414) 5.491 5.578 ( -3.998 0.597 -1.031) 4.172 5.668 ( -0.888 1.632 -2.230) 2.902 5.679 ( -3.288 2.837 -5.005) 6.626 5.943 ( -0.666 2.544 2.951) 3.953 6.053 ( -0.655 0.486 1.288) 1.525 6.426 ( 1.819 2.957 -3.604) 5.004 6.513 ( 2.743 5.470 4.720) 7.728 6.589 ( 0.186 2.731 -0.608) 2.804 6.677 ( 1.912 5.307 0.431) 5.657======================= Grid point 252 (99/219) =======================q-point: ( 0.36 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( 0.511 -7.401 5.217) 9.070 0.829 ( -1.177 -5.683 2.528) 6.330 0.935 ( 0.312 -2.293 -0.130) 2.318 1.031 ( 2.452 -1.743 -2.140) 3.692 1.112 ( -1.261 -2.938 0.053) 3.198 1.142 ( -0.393 -4.705 -0.222) 4.727 1.399 ( -0.758 -7.681 -4.066) 8.723 1.414 ( -1.178 -5.140 -1.718) 5.546 1.441 ( -2.153 -6.217 1.549) 6.759 1.577 ( 0.065 -8.995 1.667) 9.148 1.838 ( 1.760 -18.716 1.206) 18.837 1.883 ( 1.268 -16.568 -1.353) 16.671 2.123 ( 2.237 -8.899 -7.726) 11.995 2.202 ( 1.186 -1.517 3.836) 4.292 2.215 ( 1.951 -6.587 2.961) 7.480 2.306 ( -1.755 -11.559 0.792) 11.719 2.347 ( 0.546 -1.142 3.905) 4.105 2.415 ( -0.264 -6.188 -1.097) 6.290 2.632 ( 0.995 -2.289 -4.711) 5.331 2.729 ( 1.483 -2.305 3.156) 4.180 3.476 ( 0.843 0.029 -0.595) 1.032 3.523 ( -0.210 -48.931 0.144) 48.931 3.659 ( -3.843 -46.839 -0.803) 47.003 4.102 ( -3.047 -32.218 0.855) 32.373 4.314 ( 0.741 -3.244 -0.210) 3.334 4.385 ( 0.829 -3.630 -0.063) 3.724 4.452 ( 0.765 -3.724 1.070) 3.950 4.678 ( -0.664 1.725 -0.364) 1.884 4.803 ( -4.092 -2.680 -2.047) 5.303 4.861 ( -0.358 1.688 -0.901) 1.947 5.018 ( -1.194 7.166 2.822) 7.794 5.148 ( -0.824 1.586 0.665) 1.907 5.262 ( -0.455 -3.867 -1.210) 4.077 5.297 ( 1.187 -3.198 -0.611) 3.466 5.340 ( 0.584 5.751 -1.528) 5.979 5.458 ( -1.759 1.339 1.133) 2.484 5.564 ( -1.303 0.430 0.517) 1.466 5.610 ( -2.541 -0.401 -4.047) 4.795 5.638 ( 0.008 1.621 0.199) 1.633 5.902 ( 1.059 2.107 2.060) 3.132 6.046 ( -1.077 0.116 0.987) 1.466 6.342 ( 1.516 5.441 -3.094) 6.440 6.422 ( 0.803 5.888 3.791) 7.049 6.527 ( 0.353 3.320 -0.588) 3.390 6.576 ( 1.003 5.428 0.154) 5.523======================= Grid point 253 (100/219) =======================q-point: ( 0.43 0.21 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( -0.844 -5.734 1.722) 6.046 0.911 ( -1.650 -2.576 3.383) 4.560 0.999 ( -3.484 -6.231 -2.843) 7.684 1.085 ( 1.113 -3.521 -0.013) 3.693 1.152 ( -1.998 -2.745 0.653) 3.457 1.193 ( -1.169 -2.032 0.086) 2.346 1.509 ( 0.526 -5.224 -0.950) 5.336 1.518 ( -0.231 -5.902 -1.120) 6.012 1.560 ( 1.638 -6.401 -1.834) 6.857 1.740 ( 0.303 -6.979 2.894) 7.561 2.098 ( 1.109 -3.636 -0.455) 3.829 2.139 ( 0.500 -9.034 -0.317) 9.053 2.169 ( 0.516 0.725 1.156) 1.458 2.259 ( 0.768 -6.164 -7.154) 9.474 2.380 ( 0.076 -7.019 -0.910) 7.078 2.420 ( 0.582 -6.506 3.328) 7.331 2.488 ( -0.831 -6.510 1.693) 6.778 2.576 ( -0.114 -9.225 4.060) 10.080 2.700 ( 0.657 -6.853 -3.632) 7.784 2.801 ( -0.225 -4.370 2.434) 5.008 3.462 ( -0.056 0.659 -1.955) 2.064 4.163 ( 0.862 -19.153 0.257) 19.175 4.347 ( -0.037 -5.008 -0.338) 5.020 4.408 ( 0.509 -18.450 2.631) 18.644 4.448 ( -0.508 -4.978 -1.943) 5.368 4.492 ( 0.632 -10.766 -0.385) 10.791 4.564 ( 0.277 -7.877 -0.234) 7.886 4.625 ( -0.791 2.839 0.446) 2.981 4.827 ( -0.143 1.152 -1.036) 1.556 4.848 ( -1.512 -0.851 -1.620) 2.374 4.903 ( -1.276 1.135 3.560) 3.948 5.139 ( -0.883 -1.021 1.506) 2.023 5.216 ( 0.927 4.897 -1.831) 5.309 5.348 ( 1.433 -1.078 0.253) 1.811 5.387 ( 0.312 -8.384 -1.383) 8.503 5.463 ( -0.172 -2.103 -0.894) 2.291 5.544 ( 0.338 -0.164 -0.607) 0.714 5.610 ( -0.083 1.490 0.127) 1.498 5.657 ( -1.901 -5.060 -1.049) 5.507 5.890 ( 1.590 0.259 2.212) 2.736 6.045 ( -1.291 -0.612 0.031) 1.429 6.252 ( 0.397 3.613 0.832) 3.729 6.312 ( -0.751 5.766 -0.218) 5.819 6.479 ( 0.286 1.716 -0.138) 1.746 6.498 ( 0.103 3.141 0.165) 3.147======================= Grid point 254 (101/219) =======================q-point: ( 0.50 0.21 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 0.338 -0.696 -0.642) 1.005 0.950 ( 0.018 -1.601 1.060) 1.920 1.115 ( -5.519 -8.603 -3.311) 10.744 1.159 ( -0.826 -3.076 1.179) 3.396 1.220 ( -0.589 -3.470 1.712) 3.914 1.229 ( -0.497 -3.934 1.477) 4.232 1.600 ( 1.444 -3.818 -0.044) 4.082 1.620 ( -0.008 -5.007 -0.686) 5.054 1.684 ( 2.100 -6.017 -1.305) 6.505 1.850 ( -0.653 -4.253 1.216) 4.471 2.078 ( -0.116 4.577 0.997) 4.686 2.125 ( -0.573 1.388 0.320) 1.536 2.212 ( 0.389 1.104 0.762) 1.397 2.342 ( -0.463 -2.600 -7.073) 7.550 2.474 ( -0.376 -3.848 -2.654) 4.689 2.574 ( 1.066 -4.341 4.875) 6.614 2.605 ( -0.341 -9.007 -0.182) 9.015 2.731 ( -0.389 -5.766 3.422) 6.717 2.821 ( -0.138 -4.771 1.193) 4.920 2.929 ( -1.028 -9.189 -1.094) 9.311 3.442 ( -0.607 0.870 -2.432) 2.654 4.363 ( 0.617 -3.932 0.105) 3.981 4.414 ( -0.422 -3.156 0.735) 3.268 4.477 ( 0.134 -1.304 0.177) 1.322 4.491 ( -0.496 -1.167 -0.176) 1.281 4.563 ( -0.667 1.987 -0.384) 2.130 4.586 ( 0.965 2.955 -0.464) 3.143 4.722 ( -0.222 -2.890 -1.478) 3.254 4.807 ( 0.468 1.073 0.458) 1.256 4.833 ( 0.208 1.234 1.235) 1.758 4.991 ( -0.497 -5.352 1.379) 5.549 5.145 ( 0.245 -0.780 -3.665) 3.755 5.201 ( 0.590 -1.486 2.942) 3.348 5.377 ( 1.151 -1.439 0.211) 1.855 5.488 ( 0.593 -0.896 -2.266) 2.508 5.501 ( 1.439 -2.674 0.948) 3.181 5.550 ( 0.099 2.436 -1.166) 2.703 5.612 ( 0.931 -2.422 -0.016) 2.595 5.774 ( -1.125 -7.192 -1.108) 7.364 5.912 ( 1.121 -1.031 2.719) 3.116 6.059 ( -1.109 -1.492 0.065) 1.860 6.191 ( -0.745 3.920 -1.468) 4.251 6.239 ( -0.471 0.734 1.888) 2.080 6.453 ( -0.168 1.310 -0.176) 1.332 6.468 ( -0.045 -0.064 0.193) 0.208======================= Grid point 255 (102/219) =======================q-point: ( 0.57 0.21 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( 0.696 0.144 -1.089) 1.300 0.964 ( 0.718 0.571 1.105) 1.436 1.187 ( -1.141 -1.249 -0.221) 1.706 1.227 ( 0.060 -0.920 -0.189) 0.941 1.280 ( -2.839 -8.275 -1.167) 8.826 1.353 ( 0.052 -6.564 1.933) 6.843 1.662 ( 1.560 -1.748 0.320) 2.364 1.697 ( -0.172 -2.785 0.023) 2.791 1.796 ( 1.064 -4.423 -0.168) 4.552 1.900 ( -1.344 -1.044 -1.713) 2.415 1.975 ( -1.444 3.912 3.658) 5.547 2.111 ( -0.357 0.003 -1.479) 1.521 2.178 ( 0.022 1.927 0.869) 2.114 2.328 ( -0.532 1.807 -4.314) 4.707 2.524 ( -0.297 -2.450 -2.049) 3.208 2.627 ( 0.078 -0.405 2.036) 2.078 2.758 ( -0.305 -6.453 -0.354) 6.470 2.820 ( 0.238 -3.935 1.148) 4.105 2.915 ( -0.139 -5.131 4.684) 6.948 3.084 ( -0.654 -7.140 -2.145) 7.484 3.414 ( -0.734 1.034 -2.436) 2.746 4.383 ( 0.443 1.078 -0.032) 1.166 4.432 ( 0.383 3.779 0.310) 3.811 4.474 ( -0.692 -2.358 0.410) 2.492 4.524 ( 0.278 1.016 -0.262) 1.085 4.539 ( -0.127 -2.172 0.790) 2.315 4.586 ( -0.803 -3.144 -1.650) 3.640 4.737 ( -0.122 -0.646 -2.702) 2.781 4.793 ( 0.538 0.978 2.110) 2.387 4.812 ( 0.170 0.668 1.728) 1.861 5.038 ( -0.351 -1.209 1.055) 1.643 5.163 ( 0.701 -0.247 -2.201) 2.323 5.217 ( 0.219 0.781 1.419) 1.635 5.410 ( 1.005 -1.548 -1.026) 2.112 5.441 ( 0.296 4.644 -2.541) 5.302 5.537 ( 0.946 -1.456 0.308) 1.763 5.557 ( 0.436 -1.804 0.895) 2.061 5.631 ( 0.740 0.843 1.772) 2.097 5.847 ( -0.263 -0.561 -1.538) 1.658 5.934 ( 0.477 -0.026 1.462) 1.538 6.084 ( -0.627 -0.782 -0.589) 1.163 6.114 ( -0.730 2.838 -1.383) 3.240 6.237 ( 0.060 0.724 2.537) 2.639 6.439 ( -0.113 0.134 -0.067) 0.188 6.473 ( -0.147 -0.207 -0.004) 0.254======================= Grid point 256 (103/219) =======================q-point: ( 0.64 0.21 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( 0.249 0.645 -0.640) 0.942 0.942 ( 0.576 2.184 0.673) 2.357 1.189 ( -0.463 0.276 -0.019) 0.539 1.219 ( 0.376 1.086 0.142) 1.158 1.426 ( 0.683 -5.951 -0.094) 5.991 1.474 ( -0.472 -6.161 0.040) 6.179 1.664 ( -0.639 2.836 1.266) 3.171 1.722 ( -0.136 -1.647 -0.123) 1.657 1.818 ( -0.569 0.902 1.025) 1.479 1.909 ( -0.463 -1.889 -0.533) 2.017 1.980 ( -0.887 -1.713 1.532) 2.464 2.100 ( -0.032 0.741 -3.223) 3.307 2.150 ( -0.098 1.338 -0.165) 1.352 2.285 ( -0.186 0.985 -1.264) 1.614 2.556 ( -0.908 -1.536 -1.785) 2.523 2.620 ( 0.972 0.820 1.680) 2.107 2.852 ( 0.487 -3.923 -0.843) 4.042 2.896 ( 0.343 -3.569 0.545) 3.626 3.029 ( 0.055 -5.305 5.149) 7.393 3.168 ( -0.429 -2.285 -2.645) 3.522 3.389 ( -0.544 0.670 -1.614) 1.831 4.356 ( 0.107 2.069 -0.197) 2.081 4.360 ( 0.121 2.425 0.057) 2.428 4.505 ( -0.302 -0.612 0.186) 0.708 4.520 ( 0.013 -0.494 0.800) 0.940 4.590 ( -0.196 -2.709 0.329) 2.736 4.641 ( -0.306 -2.687 -1.670) 3.178 4.742 ( -0.163 -0.253 -1.687) 1.713 4.787 ( 0.180 0.197 1.786) 1.806 4.831 ( 0.148 -2.310 1.491) 2.753 5.048 ( 0.076 1.469 0.953) 1.753 5.154 ( 0.259 -0.311 -2.032) 2.071 5.197 ( -0.008 1.152 1.400) 1.813 5.345 ( 0.290 4.562 -2.270) 5.104 5.445 ( 1.145 -1.377 -1.014) 2.057 5.551 ( -1.112 1.989 0.962) 2.474 5.583 ( 0.732 -2.739 -0.141) 2.839 5.643 ( 0.381 -1.514 2.217) 2.711 5.786 ( 0.186 6.037 -0.577) 6.068 5.937 ( -0.116 -0.323 -1.343) 1.386 6.018 ( -0.220 4.232 -0.932) 4.340 6.124 ( -0.248 -1.527 0.358) 1.588 6.220 ( 0.149 1.202 1.854) 2.214 6.442 ( -0.037 -0.367 0.064) 0.374 6.470 ( -0.044 0.405 -0.035) 0.409======================= Grid point 257 (104/219) =======================q-point: (-0.29 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( -0.457 1.103 0.277) 1.225 0.908 ( 0.415 1.222 -0.443) 1.365 1.184 ( -0.031 -0.220 -0.089) 0.240 1.204 ( -0.005 0.442 0.152) 0.468 1.472 ( 2.449 1.962 1.478) 3.469 1.539 ( -1.950 0.485 0.552) 2.083 1.649 ( -0.352 -3.697 -0.007) 3.714 1.781 ( -0.359 -3.845 -0.328) 3.875 1.788 ( 0.459 2.544 0.064) 2.586 1.925 ( -1.077 -0.242 0.010) 1.104 2.007 ( -0.449 -1.430 1.391) 2.045 2.066 ( -0.463 1.393 -2.452) 2.858 2.134 ( 0.135 0.187 -0.092) 0.248 2.282 ( 0.233 -0.239 -0.627) 0.710 2.565 ( -0.612 -0.419 -2.095) 2.223 2.638 ( 0.995 -1.658 1.748) 2.607 2.903 ( 1.325 -0.643 0.730) 1.643 2.949 ( 0.359 -1.552 -1.467) 2.165 3.120 ( -0.321 -2.302 3.049) 3.834 3.157 ( 0.100 1.946 -1.553) 2.492 3.377 ( -0.360 0.191 -0.070) 0.413 4.327 ( -0.119 0.212 0.070) 0.253 4.339 ( 0.045 0.439 -0.050) 0.444 4.512 ( -0.113 0.840 1.862) 2.046 4.516 ( -0.008 0.442 0.195) 0.483 4.631 ( -0.106 -1.272 -0.966) 1.601 4.668 ( 0.057 -0.551 -0.461) 0.721 4.738 ( -0.237 0.132 -0.435) 0.512 4.793 ( -0.041 -0.518 0.354) 0.629 4.890 ( -0.034 -1.957 0.408) 1.999 4.989 ( 0.372 2.497 0.128) 2.528 5.154 ( -0.380 1.410 0.844) 1.686 5.211 ( 0.231 -2.101 -0.990) 2.334 5.280 ( 0.615 1.227 -0.366) 1.420 5.435 ( 0.594 2.884 1.128) 3.153 5.546 ( -1.282 -2.166 -0.543) 2.574 5.624 ( -0.887 0.664 -1.518) 1.880 5.653 ( 0.524 4.031 0.153) 4.068 5.689 ( 0.403 -1.968 -0.399) 2.048 5.925 ( -0.138 1.111 -0.757) 1.352 5.979 ( -0.010 -0.821 -0.080) 0.825 6.147 ( 0.038 -0.749 0.115) 0.759 6.214 ( 0.165 -0.310 1.243) 1.292 6.450 ( -0.028 -0.232 0.016) 0.234 6.464 ( 0.088 -0.032 0.155) 0.181======================= Grid point 258 (105/219) =======================q-point: (-0.21 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( -0.081 -0.474 0.211) 0.525 0.897 ( 0.073 0.007 -0.403) 0.410 1.198 ( -0.218 -0.742 -0.151) 0.788 1.207 ( 0.066 -0.975 0.217) 1.001 1.414 ( 0.097 3.730 1.245) 3.934 1.509 ( 0.360 2.218 0.537) 2.310 1.681 ( -0.223 3.135 1.187) 3.360 1.736 ( 0.734 1.335 -1.418) 2.081 1.847 ( -0.636 -2.279 -0.799) 2.497 1.900 ( -1.077 2.368 1.276) 2.897 2.040 ( -1.087 -1.120 0.386) 1.608 2.065 ( 0.792 -2.570 -0.043) 2.689 2.152 ( 0.073 -2.203 0.070) 2.205 2.279 ( -0.000 0.438 -0.300) 0.531 2.558 ( -0.209 0.497 -2.385) 2.445 2.685 ( 0.525 -1.889 1.981) 2.787 2.886 ( 0.818 3.167 0.630) 3.331 2.944 ( 0.418 1.713 -3.056) 3.528 3.055 ( -0.650 5.360 -3.871) 6.643 3.163 ( 0.566 0.969 4.112) 4.262 3.378 ( -0.257 -0.250 2.034) 2.065 4.337 ( 0.028 -1.261 0.005) 1.261 4.354 ( -0.118 -1.914 -0.027) 1.918 4.475 ( 0.201 2.691 3.556) 4.464 4.512 ( -0.088 0.442 -0.032) 0.452 4.622 ( -0.287 1.635 -2.148) 2.715 4.666 ( 0.158 0.973 0.788) 1.262 4.737 ( -0.199 -0.229 -0.454) 0.547 4.803 ( 0.072 -0.359 -0.372) 0.522 4.850 ( -0.014 3.385 -0.567) 3.433 5.030 ( 0.070 -3.678 0.157) 3.682 5.118 ( 0.204 2.057 1.764) 2.718 5.213 ( -0.174 0.486 -2.037) 2.101 5.329 ( 0.783 -3.858 2.161) 4.490 5.383 ( 0.041 2.514 1.552) 2.955 5.528 ( -0.608 2.855 -2.374) 3.762 5.587 ( 0.514 1.776 0.550) 1.929 5.616 ( -1.059 -0.873 -4.159) 4.380 5.772 ( 0.158 -4.480 0.290) 4.492 5.912 ( -0.138 0.124 -0.215) 0.284 6.025 ( 0.057 -3.446 0.443) 3.475 6.154 ( 0.021 -0.011 -0.007) 0.025 6.238 ( 0.096 -1.759 0.578) 1.854 6.448 ( -0.023 0.176 -0.072) 0.192 6.474 ( 0.081 -0.578 0.342) 0.676======================= Grid point 259 (106/219) =======================q-point: (-0.14 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 0.256 -1.013 -0.088) 1.049 0.905 ( 0.166 -0.665 0.039) 0.687 1.202 ( -0.531 0.036 0.366) 0.647 1.228 ( 0.382 -0.378 -0.314) 0.623 1.361 ( -0.370 2.041 0.619) 2.165 1.451 ( -1.553 3.754 0.008) 4.063 1.573 ( 1.269 7.606 2.329) 8.055 1.688 ( 0.124 4.380 0.477) 4.408 1.783 ( -0.645 6.261 -2.239) 6.681 1.903 ( 0.032 -0.168 3.814) 3.818 2.055 ( -1.525 -2.193 -3.512) 4.412 2.132 ( 0.795 -2.379 1.551) 2.949 2.198 ( 0.081 -2.068 -0.911) 2.261 2.275 ( 0.033 0.037 2.613) 2.613 2.536 ( 0.328 1.277 -0.831) 1.558 2.698 ( 0.062 1.372 0.617) 1.505 2.785 ( 0.114 7.878 -0.517) 7.895 2.885 ( 0.005 4.008 -3.702) 5.457 2.941 ( -0.800 4.768 -4.559) 6.645 3.112 ( 0.176 5.457 2.511) 6.010 3.396 ( 0.016 -0.908 4.234) 4.330 4.378 ( -0.552 0.449 0.624) 0.947 4.383 ( 0.543 -3.282 -0.099) 3.328 4.454 ( 0.644 -0.063 3.532) 3.591 4.502 ( -0.149 0.458 0.075) 0.487 4.572 ( -0.722 2.176 -2.115) 3.119 4.634 ( 0.156 2.565 0.860) 2.710 4.739 ( 0.102 -0.049 -0.324) 0.343 4.797 ( 0.096 0.651 -0.304) 0.724 4.818 ( -0.144 -0.121 -1.025) 1.042 5.046 ( -0.628 1.527 0.310) 1.680 5.115 ( 1.212 0.213 2.420) 2.715 5.203 ( -0.157 0.017 -1.634) 1.641 5.341 ( 0.031 1.270 0.296) 1.305 5.411 ( 0.631 -2.203 2.947) 3.733 5.499 ( 0.022 -0.963 -3.019) 3.169 5.541 ( 0.187 2.316 -0.608) 2.402 5.625 ( 0.044 -0.110 -3.064) 3.066 5.817 ( -0.067 0.381 2.190) 2.224 5.920 ( -0.178 -1.048 -3.195) 3.367 6.092 ( 0.129 -2.738 1.826) 3.294 6.151 ( -0.409 0.060 -0.167) 0.446 6.273 ( 0.036 -1.610 -0.279) 1.634 6.446 ( -0.078 -0.075 0.128) 0.168 6.480 ( 0.006 0.134 0.234) 0.269======================= Grid point 260 (107/219) =======================q-point: (-0.07 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( -0.065 -0.503 0.324) 0.602 0.914 ( 0.205 0.028 0.015) 0.207 1.173 ( -0.661 5.175 0.386) 5.231 1.205 ( 0.403 2.411 0.447) 2.485 1.304 ( -3.436 3.533 1.277) 5.091 1.357 ( -2.664 4.857 -0.671) 5.580 1.461 ( 3.010 4.327 2.056) 5.658 1.584 ( -0.019 6.354 1.889) 6.629 1.649 ( 0.721 6.594 -1.549) 6.812 1.874 ( 0.134 3.875 1.188) 4.056 2.086 ( -0.706 -1.565 -2.854) 3.331 2.150 ( -0.350 0.119 0.437) 0.572 2.217 ( 0.231 0.843 -1.075) 1.385 2.273 ( 1.079 2.116 6.869) 7.268 2.507 ( 0.788 2.647 2.283) 3.583 2.603 ( 0.507 10.421 -0.267) 10.436 2.637 ( -0.627 4.463 -4.762) 6.556 2.746 ( -1.577 8.953 -4.095) 9.971 2.852 ( -0.105 4.421 -3.410) 5.584 2.975 ( -0.325 8.884 -0.051) 8.890 3.423 ( 0.207 -0.614 4.974) 5.016 4.328 ( 0.074 5.057 1.161) 5.189 4.408 ( 0.562 2.976 0.840) 3.143 4.467 ( -0.426 0.823 0.811) 1.231 4.500 ( -0.030 -0.919 -0.128) 0.929 4.571 ( 0.255 -2.180 -1.553) 2.689 4.595 ( -0.071 -0.117 0.261) 0.295 4.723 ( -0.034 3.430 -0.008) 3.430 4.799 ( 0.261 -0.563 0.729) 0.957 4.825 ( 0.061 -0.852 -1.076) 1.374 5.001 ( -0.789 3.567 0.693) 3.718 5.088 ( 1.293 2.631 4.105) 5.044 5.201 ( 0.189 -0.421 -2.142) 2.191 5.326 ( 0.143 0.317 -1.474) 1.515 5.430 ( 0.003 0.377 1.523) 1.569 5.492 ( 0.663 2.164 -0.024) 2.264 5.554 ( 0.302 -3.325 -0.287) 3.351 5.598 ( 0.917 2.509 -3.079) 4.076 5.782 ( -0.389 3.324 2.702) 4.302 5.904 ( -0.419 1.801 -4.802) 5.145 6.112 ( -0.349 0.647 -0.032) 0.736 6.172 ( -0.875 -2.637 2.473) 3.719 6.297 ( 0.187 -1.193 -1.371) 1.827 6.456 ( -0.127 -1.074 0.409) 1.156 6.472 ( -0.061 0.455 -0.011) 0.459======================= Grid point 265 (108/219) =======================q-point: ( 0.29 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( -1.289 -0.000 -0.734) 1.483 0.605 ( 6.444 0.000 4.528) 7.876 0.736 ( 7.552 0.000 3.805) 8.456 0.827 ( 4.957 0.000 5.162) 7.157 0.828 ( 5.350 0.000 -5.707) 7.823 1.004 ( 0.656 0.000 0.901) 1.114 1.030 ( -2.353 -0.000 0.579) 2.423 1.074 ( -0.501 -0.000 -0.433) 0.662 1.147 ( -2.460 -0.000 0.776) 2.579 1.326 ( -4.164 -0.000 -11.286) 12.030 1.468 ( -3.302 -0.000 -4.738) 5.775 1.515 ( 2.279 0.000 -0.390) 2.312 1.574 ( -1.840 -0.000 11.693) 11.836 1.891 ( 3.424 0.000 -1.250) 3.645 1.955 ( -0.431 -0.000 -0.562) 0.708 2.043 ( 0.051 0.000 0.256) 0.261 2.149 ( 4.043 0.000 1.546) 4.329 2.177 ( 0.130 0.000 0.131) 0.185 2.364 ( 0.025 0.000 1.078) 1.078 2.596 ( -0.095 -0.000 -0.988) 0.993 2.615 ( 0.393 0.000 0.063) 0.398 2.763 ( -3.591 -0.000 -3.999) 5.374 2.790 ( -0.453 -0.000 2.978) 3.013 3.513 ( 1.647 0.000 -1.881) 2.500 4.218 ( -0.073 -0.000 -0.049) 0.088 4.311 ( -0.176 -0.000 0.007) 0.176 4.341 ( -0.441 -0.000 0.031) 0.443 4.681 ( -2.745 -0.000 -1.981) 3.385 4.792 ( -2.711 -0.000 -2.155) 3.464 4.898 ( 0.060 0.000 -1.173) 1.175 5.145 ( -0.035 -0.000 2.414) 2.414 5.182 ( -0.364 -0.000 -0.041) 0.367 5.203 ( -0.283 -0.000 0.044) 0.286 5.221 ( -1.752 -0.000 2.476) 3.033 5.440 ( 0.208 0.000 -0.958) 0.981 5.516 ( -3.915 -0.000 0.498) 3.946 5.557 ( -5.260 -0.000 -2.603) 5.868 5.672 ( -1.813 -0.000 -4.140) 4.519 5.689 ( -0.413 -0.000 -1.784) 1.831 5.973 ( -1.150 -0.000 4.439) 4.586 6.061 ( -0.440 -0.000 1.235) 1.311 6.454 ( 1.398 0.000 -3.065) 3.369 6.586 ( 0.855 0.000 0.325) 0.915 6.626 ( 1.687 0.000 1.303) 2.131 6.747 ( 1.684 0.000 2.211) 2.780======================= Grid point 266 (109/219) =======================q-point: ( 0.36 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 3.420 -1.832 4.928) 6.272 0.766 ( 4.414 -1.919 1.936) 5.188 0.897 ( -0.347 -3.599 1.418) 3.883 0.980 ( 3.455 -9.013 -1.221) 9.729 1.005 ( 2.126 -8.617 -1.315) 8.973 1.054 ( 0.659 -2.487 -0.583) 2.638 1.187 ( -3.057 -10.160 -5.853) 12.117 1.260 ( -0.052 -14.200 5.465) 15.215 1.305 ( -3.562 -4.098 -6.287) 8.307 1.380 ( -1.901 -16.125 -0.407) 16.242 1.513 ( -0.434 -12.211 -3.135) 12.615 1.620 ( 0.026 -7.769 3.202) 8.403 1.951 ( 2.416 -8.121 -2.436) 8.816 2.043 ( -0.070 -12.720 0.174) 12.722 2.118 ( -0.595 -10.362 -0.493) 10.390 2.187 ( 3.368 -4.623 4.203) 7.098 2.232 ( -0.635 -42.214 3.160) 42.337 2.373 ( 0.584 -2.346 2.111) 3.209 2.397 ( 0.484 2.171 -0.747) 2.346 2.583 ( -0.133 -38.419 0.329) 38.420 2.707 ( 0.644 -0.799 -2.917) 3.092 2.865 ( -2.486 -14.118 2.624) 14.574 3.302 ( -5.058 -43.412 1.080) 43.719 3.507 ( 1.054 -0.064 -2.505) 2.718 4.259 ( 0.498 -3.353 0.128) 3.392 4.329 ( 0.169 -2.107 -0.164) 2.120 4.382 ( 0.167 -3.902 0.673) 3.963 4.673 ( -2.086 -1.019 -2.528) 3.432 4.766 ( -2.708 0.799 -2.102) 3.520 4.885 ( 0.003 1.063 -1.351) 1.719 5.120 ( -1.211 3.334 2.515) 4.348 5.180 ( -1.427 2.060 -1.490) 2.916 5.214 ( -0.010 -2.097 0.830) 2.255 5.230 ( 0.096 -2.772 0.926) 2.924 5.416 ( -0.013 2.426 -4.340) 4.972 5.491 ( -2.482 1.536 3.080) 4.243 5.522 ( -3.702 -0.587 -3.177) 4.913 5.634 ( -0.833 2.245 -2.963) 3.809 5.671 ( 0.089 1.515 -0.124) 1.523 5.955 ( 0.086 2.153 3.935) 4.486 6.053 ( -0.573 0.660 1.482) 1.720 6.425 ( 1.328 3.029 -4.008) 5.196 6.544 ( 0.736 4.549 1.381) 4.810 6.595 ( 1.014 3.500 0.550) 3.685 6.700 ( 1.688 5.757 2.226) 6.399======================= Grid point 267 (110/219) =======================q-point: ( 0.43 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( -0.148 -5.560 2.828) 6.240 0.833 ( -0.843 -3.707 3.919) 5.460 0.934 ( 0.413 -1.112 -1.838) 2.187 1.046 ( 1.563 -1.799 -0.535) 2.443 1.094 ( -2.200 -2.155 -0.257) 3.091 1.136 ( -0.472 -4.060 -0.235) 4.094 1.351 ( -1.796 -8.594 -10.674) 13.821 1.396 ( -0.332 -7.370 -2.064) 7.661 1.440 ( -0.602 -6.800 2.781) 7.371 1.600 ( 1.050 -9.637 5.782) 11.288 1.847 ( 0.332 -18.348 -1.948) 18.455 1.888 ( 1.423 -16.426 -1.640) 16.569 2.118 ( 2.432 -7.387 -5.828) 9.718 2.213 ( 0.781 -4.655 -0.188) 4.724 2.257 ( 1.268 -3.032 4.891) 5.892 2.293 ( -1.565 -11.210 1.586) 11.430 2.373 ( 0.815 -0.775 4.533) 4.670 2.409 ( -0.424 -6.758 0.293) 6.778 2.631 ( 1.883 -1.631 -2.324) 3.407 2.756 ( 0.848 -2.353 3.863) 4.602 3.472 ( 0.241 -1.268 -4.106) 4.304 3.525 ( -0.104 -47.503 1.181) 47.518 3.618 ( -3.146 -49.510 -1.456) 49.631 4.090 ( -1.748 -34.246 4.836) 34.630 4.319 ( 0.493 -3.090 -0.147) 3.132 4.391 ( 0.578 -3.549 -0.926) 3.713 4.463 ( 0.351 -3.448 1.942) 3.973 4.672 ( -0.185 1.347 -0.390) 1.414 4.754 ( -3.725 -3.499 -2.530) 5.703 4.853 ( -0.164 1.754 -1.408) 2.255 5.009 ( -2.367 6.875 0.815) 7.316 5.142 ( -0.611 1.226 -0.211) 1.386 5.254 ( 0.061 -2.394 -1.243) 2.698 5.303 ( 0.900 -2.627 -1.459) 3.137 5.341 ( 0.669 3.187 -0.591) 3.310 5.444 ( -1.510 1.337 -0.103) 2.019 5.547 ( -1.777 -2.161 -0.175) 2.803 5.585 ( -0.158 0.895 -2.281) 2.455 5.640 ( 0.070 1.582 0.387) 1.630 5.924 ( 1.140 1.912 2.992) 3.730 6.040 ( -0.889 0.550 1.018) 1.459 6.340 ( 0.957 5.058 -3.531) 6.242 6.442 ( 0.196 6.821 3.060) 7.478 6.531 ( 0.582 3.378 0.148) 3.431 6.587 ( 0.822 6.194 0.364) 6.259======================= Grid point 268 (111/219) =======================q-point: ( 0.50 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( -2.112 -5.958 -0.341) 6.331 0.908 ( -1.681 -2.557 2.785) 4.137 0.955 ( -1.812 -3.936 -3.311) 5.454 1.097 ( 0.290 -2.920 1.450) 3.273 1.143 ( -0.589 -3.711 1.414) 4.014 1.185 ( -0.520 -2.202 0.290) 2.281 1.471 ( -2.033 -7.723 -8.095) 11.371 1.526 ( 0.753 -5.966 0.848) 6.073 1.576 ( 1.834 -6.572 0.321) 6.830 1.762 ( 0.609 -5.775 4.234) 7.187 2.103 ( 0.170 -4.679 -0.842) 4.757 2.134 ( 0.316 -7.058 -2.577) 7.520 2.182 ( 0.623 -1.752 1.865) 2.634 2.242 ( 1.015 -3.034 -4.624) 5.622 2.373 ( -0.059 -5.923 -2.493) 6.426 2.439 ( 1.336 -6.038 1.662) 6.404 2.496 ( -0.545 -8.228 3.991) 9.161 2.587 ( -1.345 -9.603 4.418) 10.656 2.698 ( 1.801 -6.376 -2.571) 7.107 2.811 ( -0.387 -2.926 3.775) 4.791 3.447 ( -0.358 0.831 -3.931) 4.034 4.171 ( 0.583 -19.554 0.221) 19.564 4.344 ( -0.160 -7.400 -0.652) 7.430 4.409 ( -1.422 -17.202 -1.274) 17.308 4.447 ( 1.146 -4.775 1.339) 5.090 4.499 ( 0.915 -7.985 0.126) 8.039 4.568 ( 0.272 -9.147 0.996) 9.206 4.622 ( -0.386 2.779 0.726) 2.898 4.820 ( -0.127 1.015 -1.372) 1.711 4.830 ( -0.994 -2.533 -1.109) 2.938 4.904 ( -1.562 0.490 3.123) 3.526 5.135 ( -0.930 -0.728 0.916) 1.495 5.217 ( 0.845 3.378 -2.066) 4.049 5.355 ( 0.407 -1.740 -1.315) 2.218 5.391 ( 1.178 -7.813 -0.151) 7.903 5.457 ( -0.233 -2.819 -0.976) 2.992 5.542 ( -0.034 -0.269 -1.106) 1.139 5.610 ( -0.192 0.898 0.415) 1.008 5.639 ( -0.783 -4.596 -1.012) 4.770 5.913 ( 0.972 0.354 2.282) 2.506 6.034 ( -0.930 -0.445 0.047) 1.032 6.261 ( 0.555 2.838 0.850) 3.014 6.304 ( -0.721 7.259 0.222) 7.298 6.481 ( 0.285 2.032 -0.007) 2.052 6.499 ( 0.068 3.221 0.186) 3.227======================= Grid point 269 (112/219) =======================q-point: ( 0.57 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 0.198 -0.870 -0.548) 1.047 0.948 ( -0.928 -3.123 -0.408) 3.284 1.054 ( -3.330 -7.971 -3.408) 9.287 1.156 ( -0.723 -2.908 1.161) 3.214 1.221 ( -0.169 -2.112 0.353) 2.148 1.242 ( 0.576 -5.404 4.062) 6.785 1.587 ( -1.341 -6.494 -3.864) 7.675 1.629 ( 0.787 -4.126 1.165) 4.359 1.702 ( 2.125 -5.689 -0.268) 6.079 1.849 ( -0.634 -3.047 0.645) 3.179 2.081 ( -0.377 4.968 1.245) 5.135 2.123 ( -0.211 1.603 0.335) 1.651 2.222 ( 0.582 1.586 1.489) 2.251 2.306 ( -0.469 -2.963 -6.800) 7.432 2.455 ( -0.282 -3.800 -4.221) 5.686 2.605 ( 0.344 -7.571 0.939) 7.637 2.610 ( 1.218 -4.551 5.098) 6.941 2.739 ( -0.817 -5.958 3.304) 6.861 2.830 ( 0.398 -5.192 2.522) 5.786 2.916 ( -0.492 -8.556 -1.127) 8.644 3.420 ( -0.833 0.813 -4.097) 4.259 4.369 ( 0.457 -3.877 -0.091) 3.905 4.414 ( -0.535 -2.757 1.019) 2.988 4.474 ( -0.429 -1.885 -1.086) 2.217 4.488 ( -0.100 -1.452 0.598) 1.573 4.558 ( -0.141 2.755 -0.157) 2.763 4.593 ( 0.748 3.298 -0.234) 3.390 4.711 ( -0.251 -2.546 -2.024) 3.262 4.816 ( 0.499 0.207 1.105) 1.230 4.840 ( 0.112 1.012 1.309) 1.659 4.994 ( -0.432 -5.389 1.729) 5.676 5.132 ( 0.209 -1.249 -3.414) 3.641 5.219 ( 0.391 -1.122 2.864) 3.101 5.382 ( 0.274 -1.608 -1.075) 1.954 5.483 ( 0.215 -0.240 -2.137) 2.161 5.516 ( 0.820 -3.222 0.557) 3.371 5.548 ( 0.511 1.741 -0.670) 1.934 5.622 ( 0.887 -2.649 0.618) 2.861 5.757 ( -1.094 -7.333 -1.970) 7.671 5.932 ( 0.456 -1.180 2.848) 3.116 6.052 ( -0.542 -1.583 0.257) 1.693 6.169 ( -1.374 4.662 -2.631) 5.527 6.255 ( 0.851 0.331 3.462) 3.580 6.451 ( -0.145 1.216 -0.300) 1.260 6.468 ( 0.000 0.229 0.254) 0.342======================= Grid point 270 (113/219) =======================q-point: ( 0.64 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( 0.497 0.138 -0.885) 1.024 0.974 ( 0.216 0.375 1.041) 1.128 1.171 ( -1.113 -3.013 -1.378) 3.495 1.230 ( 0.425 -2.868 0.013) 2.899 1.253 ( -1.747 -6.320 -0.806) 6.606 1.368 ( 0.791 -5.995 2.590) 6.578 1.673 ( 0.405 -2.724 -0.109) 2.756 1.694 ( -0.463 -2.413 0.267) 2.472 1.805 ( 0.987 -3.493 -0.008) 3.630 1.880 ( -1.251 -0.706 -1.911) 2.390 1.978 ( -0.867 3.581 3.182) 4.868 2.103 ( -0.003 0.491 -1.741) 1.809 2.183 ( 0.234 2.307 0.873) 2.477 2.303 ( -0.656 1.030 -3.734) 3.928 2.505 ( -0.541 -2.831 -4.030) 4.954 2.646 ( 0.816 0.408 3.002) 3.137 2.756 ( 0.169 -6.207 -0.291) 6.216 2.834 ( 0.931 -3.872 3.099) 5.046 2.937 ( 0.173 -5.462 5.421) 7.697 3.068 ( -0.351 -7.083 -3.056) 7.722 3.393 ( -0.882 0.650 -3.560) 3.725 4.388 ( 0.423 1.177 0.097) 1.255 4.435 ( -0.068 3.882 0.259) 3.891 4.471 ( -0.353 -2.411 0.503) 2.488 4.524 ( -0.152 0.589 -0.146) 0.625 4.539 ( -0.428 -1.947 0.432) 2.040 4.574 ( -0.102 -2.907 -1.794) 3.418 4.726 ( 0.129 -0.671 -2.321) 2.419 4.806 ( 0.149 1.122 2.018) 2.313 4.823 ( 0.405 0.532 1.910) 2.023 5.040 ( -0.371 -1.331 1.150) 1.798 5.160 ( 0.572 -0.322 -2.257) 2.350 5.225 ( -0.012 1.054 1.854) 2.132 5.405 ( 0.180 -0.113 -3.899) 3.905 5.437 ( 0.114 2.717 -0.452) 2.756 5.544 ( 0.468 -1.461 0.011) 1.534 5.564 ( 0.082 -0.868 0.999) 1.326 5.648 ( 0.673 0.430 2.613) 2.732 5.833 ( -0.653 -1.207 -2.572) 2.915 5.943 ( 0.173 0.991 1.498) 1.804 6.076 ( -0.351 0.367 -1.043) 1.160 6.101 ( -0.554 0.766 -1.005) 1.380 6.254 ( 0.680 1.262 3.135) 3.448 6.438 ( -0.039 0.063 -0.096) 0.121 6.472 ( -0.073 -0.199 0.001) 0.211======================= Grid point 271 (114/219) =======================q-point: (-0.29 -0.71 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( -0.002 0.848 -0.489) 0.979 0.948 ( 0.110 2.287 0.508) 2.345 1.186 ( -0.144 0.036 -0.092) 0.175 1.222 ( 0.153 1.208 0.197) 1.233 1.431 ( 0.140 -8.924 -0.003) 8.925 1.475 ( 0.526 -4.311 0.514) 4.373 1.663 ( -0.581 4.067 1.077) 4.247 1.722 ( 0.028 -1.848 0.043) 1.848 1.817 ( -0.483 0.128 1.163) 1.265 1.900 ( -0.485 -1.560 -1.274) 2.072 1.979 ( -0.545 -1.516 1.501) 2.202 2.084 ( -0.149 1.058 -3.539) 3.697 2.148 ( -0.037 1.377 -0.538) 1.479 2.279 ( -0.051 0.253 -0.560) 0.617 2.540 ( -0.404 -1.729 -2.285) 2.894 2.635 ( 0.492 0.770 1.328) 1.611 2.854 ( 0.810 -4.376 -1.288) 4.633 2.913 ( 1.278 -2.834 3.450) 4.644 3.053 ( 0.191 -4.990 4.775) 6.909 3.151 ( -0.285 -2.423 -3.338) 4.135 3.375 ( -0.648 0.107 -2.126) 2.225 4.356 ( -0.062 2.867 -0.177) 2.873 4.361 ( 0.092 1.758 0.014) 1.761 4.505 ( -0.109 -0.596 0.240) 0.652 4.524 ( -0.038 -0.724 1.054) 1.280 4.588 ( -0.475 -2.751 0.141) 2.795 4.632 ( -0.060 -2.868 -1.805) 3.390 4.734 ( -0.011 -0.406 -1.426) 1.482 4.796 ( 0.072 0.457 1.659) 1.723 4.841 ( 0.345 -1.994 1.491) 2.514 5.053 ( -0.063 1.524 1.194) 1.937 5.147 ( 0.080 -0.355 -2.163) 2.194 5.204 ( -0.021 1.165 1.762) 2.112 5.335 ( 0.186 3.979 -3.179) 5.096 5.452 ( 0.742 -1.722 -0.249) 1.891 5.542 ( -1.117 2.480 0.336) 2.741 5.588 ( 0.404 -2.755 -0.229) 2.794 5.655 ( -0.239 -0.183 2.938) 2.954 5.783 ( 0.068 5.231 -1.222) 5.373 5.928 ( -0.324 0.265 -1.526) 1.582 6.013 ( -0.091 3.619 -0.744) 3.696 6.125 ( 0.055 -1.521 0.309) 1.553 6.232 ( 0.353 1.518 2.069) 2.591 6.443 ( 0.040 -0.405 0.156) 0.435 6.469 ( -0.004 0.368 -0.091) 0.379======================= Grid point 272 (115/219) =======================q-point: (-0.21 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( -0.423 0.944 0.240) 1.062 0.910 ( 0.448 1.418 -0.428) 1.548 1.185 ( 0.206 -0.270 -0.131) 0.364 1.204 ( -0.138 0.569 0.194) 0.617 1.499 ( 0.247 3.372 1.849) 3.853 1.528 ( 0.622 -0.835 0.468) 1.142 1.644 ( -0.573 -3.979 -0.171) 4.023 1.777 ( -0.271 -3.473 -0.145) 3.486 1.793 ( 0.525 2.860 -0.134) 2.911 1.913 ( -1.204 -0.694 -0.305) 1.423 2.009 ( -0.363 -1.681 1.368) 2.197 2.052 ( -0.467 0.926 -1.783) 2.063 2.133 ( 0.091 0.115 -0.565) 0.583 2.282 ( 0.234 -0.143 -0.454) 0.530 2.554 ( 0.008 -0.327 -1.469) 1.505 2.646 ( -0.277 -1.743 0.729) 1.910 2.916 ( 1.068 -1.336 -1.132) 2.051 2.956 ( 0.861 -0.179 2.124) 2.299 3.115 ( -0.855 0.917 -1.926) 2.298 3.164 ( 0.683 -1.193 2.086) 2.498 3.373 ( -0.400 -0.369 -0.187) 0.575 4.327 ( 0.050 0.058 0.060) 0.097 4.339 ( -0.003 0.569 -0.054) 0.572 4.514 ( -0.014 -0.261 -0.139) 0.296 4.524 ( 0.214 1.176 2.553) 2.819 4.623 ( -0.470 -0.854 -1.329) 1.648 4.666 ( -0.052 -1.076 -0.452) 1.168 4.734 ( -0.148 0.027 -0.416) 0.443 4.794 ( -0.097 -0.159 0.372) 0.416 4.893 ( 0.099 -1.311 0.348) 1.360 4.993 ( 0.248 2.148 0.161) 2.169 5.154 ( -0.322 0.873 0.921) 1.309 5.209 ( 0.233 -0.975 -0.940) 1.374 5.284 ( 0.556 -0.059 -0.565) 0.795 5.450 ( 1.045 3.304 1.744) 3.880 5.527 ( -1.604 -2.482 -1.129) 3.163 5.609 ( -0.591 2.835 -1.573) 3.295 5.659 ( 0.492 1.023 0.284) 1.171 5.690 ( 0.101 -0.022 -0.352) 0.367 5.920 ( -0.097 0.191 -0.912) 0.937 5.979 ( 0.017 -0.599 0.095) 0.606 6.147 ( 0.004 -0.718 -0.044) 0.719 6.221 ( 0.118 -0.072 1.287) 1.294 6.450 ( 0.001 -0.108 0.234) 0.257 6.465 ( 0.049 -0.185 -0.052) 0.198======================= Grid point 273 (116/219) =======================q-point: (-0.14 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 0.257 -0.637 0.260) 0.734 0.898 ( 0.535 0.034 -0.455) 0.704 1.196 ( -0.147 -0.386 -0.059) 0.417 1.209 ( 0.170 -1.270 0.163) 1.292 1.420 ( 0.027 4.086 1.004) 4.207 1.513 ( -0.089 2.796 0.539) 2.849 1.683 ( -0.372 2.081 0.883) 2.291 1.736 ( 0.530 1.463 -1.322) 2.043 1.836 ( -0.816 -1.615 -0.587) 1.902 1.896 ( -0.861 1.335 1.502) 2.186 2.026 ( -1.355 0.030 -0.675) 1.514 2.080 ( 1.167 -3.560 2.012) 4.253 2.149 ( -0.121 -2.172 -0.918) 2.361 2.279 ( -0.006 0.274 0.021) 0.275 2.548 ( 0.147 0.511 -1.980) 2.050 2.690 ( -0.883 -2.243 1.172) 2.680 2.895 ( 0.479 3.764 -0.105) 3.796 2.938 ( 0.239 2.316 -0.643) 2.415 3.029 ( -0.869 5.429 -4.477) 7.091 3.184 ( 0.330 1.268 3.019) 3.291 3.385 ( -0.116 -0.888 1.956) 2.151 4.339 ( 0.285 -1.263 0.023) 1.295 4.353 ( -0.047 -1.823 0.020) 1.824 4.495 ( 0.467 2.083 3.101) 3.765 4.513 ( 0.131 0.736 0.697) 1.022 4.606 ( -0.862 1.689 -2.529) 3.161 4.669 ( -0.171 0.804 0.669) 1.060 4.734 ( -0.032 -0.233 -0.198) 0.308 4.801 ( -0.209 -0.434 -0.431) 0.647 4.847 ( -0.196 3.482 -0.629) 3.544 5.032 ( 0.257 -3.011 0.043) 3.022 5.131 ( 0.605 1.244 2.104) 2.518 5.201 ( -0.270 0.463 -2.140) 2.206 5.345 ( 0.654 -3.954 1.772) 4.382 5.394 ( 0.725 2.650 1.647) 3.203 5.515 ( 0.100 2.860 -2.115) 3.558 5.590 ( -0.567 -2.317 -3.260) 4.039 5.594 ( 0.208 3.428 0.271) 3.445 5.774 ( 0.259 -4.878 -0.219) 4.890 5.912 ( 0.236 0.581 -0.033) 0.628 6.027 ( -0.025 -3.793 0.555) 3.834 6.151 ( -0.321 0.116 -0.324) 0.470 6.241 ( -0.139 -1.569 0.552) 1.669 6.448 ( -0.079 0.192 0.054) 0.215 6.475 ( -0.002 -0.578 0.171) 0.603======================= Grid point 274 (117/219) =======================q-point: (-0.07 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( 0.507 -0.832 -0.417) 1.060 0.910 ( 0.729 -0.737 0.325) 1.086 1.199 ( -0.466 0.027 0.462) 0.657 1.231 ( 0.404 -0.341 -0.295) 0.606 1.358 ( -0.898 2.911 0.675) 3.121 1.431 ( -2.594 4.867 0.513) 5.539 1.595 ( 1.311 6.393 1.263) 6.647 1.691 ( 0.200 4.117 0.168) 4.125 1.769 ( -0.325 5.804 -1.258) 5.947 1.921 ( -0.062 -0.250 4.332) 4.339 2.022 ( -1.752 -2.203 -3.871) 4.786 2.144 ( 0.275 -1.367 1.390) 1.969 2.191 ( -0.271 -2.191 -1.649) 2.756 2.293 ( 0.600 -1.295 3.774) 4.034 2.533 ( 0.356 0.635 -2.155) 2.275 2.697 ( -1.015 1.889 0.684) 2.251 2.783 ( -0.001 7.880 -0.598) 7.903 2.871 ( -0.477 5.189 -2.222) 5.665 2.913 ( -0.848 4.254 -4.077) 5.953 3.119 ( -0.392 5.950 1.611) 6.176 3.413 ( 0.092 -1.339 3.421) 3.675 4.376 ( -0.162 -0.314 0.188) 0.400 4.390 ( 0.871 -3.234 0.257) 3.359 4.477 ( 0.649 0.959 3.581) 3.764 4.502 ( -0.061 0.254 0.186) 0.321 4.553 ( -0.977 1.972 -2.219) 3.126 4.635 ( -0.435 2.594 0.506) 2.679 4.739 ( 0.207 -0.169 -0.115) 0.291 4.797 ( -0.036 0.719 0.061) 0.723 4.810 ( -0.320 -0.375 -1.509) 1.587 5.041 ( -0.584 1.361 0.486) 1.558 5.140 ( 1.614 0.160 2.607) 3.070 5.194 ( -0.051 -0.188 -2.223) 2.232 5.346 ( 0.849 1.713 0.268) 1.931 5.431 ( 0.813 -1.721 3.278) 3.790 5.488 ( 0.604 -1.357 -3.414) 3.723 5.541 ( 0.279 2.136 -0.302) 2.175 5.615 ( 0.210 -0.576 -2.324) 2.403 5.827 ( 0.260 0.135 2.033) 2.054 5.907 ( 0.285 -0.121 -2.737) 2.754 6.101 ( 0.050 -2.947 2.109) 3.625 6.142 ( -0.920 0.136 -0.780) 1.213 6.270 ( -0.377 -1.395 -0.455) 1.515 6.446 ( -0.152 -0.110 0.154) 0.243 6.480 ( -0.101 0.172 0.131) 0.238======================= Grid point 280 (118/219) =======================q-point: ( 0.36 0.36 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( -0.800 -0.000 -0.661) 1.038 0.672 ( 3.823 0.000 3.270) 5.031 0.828 ( 5.216 0.000 6.242) 8.134 0.843 ( 4.945 0.000 -6.751) 8.368 0.895 ( 2.639 0.000 3.650) 4.504 1.006 ( 1.134 0.000 -3.252) 3.444 1.022 ( -0.362 -0.000 2.873) 2.895 1.065 ( -0.699 -0.000 -0.305) 0.763 1.123 ( -3.204 -0.000 0.835) 3.311 1.235 ( -3.026 -0.000 -12.919) 13.269 1.414 ( -2.424 -0.000 -5.890) 6.369 1.533 ( 1.758 0.000 -0.530) 1.836 1.597 ( -2.783 -0.000 8.735) 9.167 1.919 ( 2.929 0.000 -1.249) 3.184 1.949 ( -0.269 -0.000 -0.622) 0.677 2.044 ( -0.030 -0.000 0.264) 0.266 2.179 ( 0.129 0.000 -0.008) 0.129 2.208 ( 3.942 0.000 7.013) 8.045 2.372 ( 0.004 0.000 1.990) 1.990 2.584 ( -1.255 -0.000 -1.413) 1.890 2.619 ( 0.311 0.000 0.120) 0.333 2.714 ( -1.447 -0.000 -5.549) 5.734 2.809 ( -0.035 -0.000 5.726) 5.727 3.515 ( 1.196 0.000 -3.793) 3.977 4.217 ( -0.053 -0.000 -0.042) 0.068 4.310 ( -0.122 -0.000 -0.005) 0.122 4.337 ( -0.375 -0.000 0.036) 0.377 4.639 ( -2.749 -0.000 -4.320) 5.121 4.765 ( -1.161 -0.000 -1.778) 2.123 4.893 ( 0.291 0.000 -1.304) 1.336 5.151 ( -1.200 -0.000 2.253) 2.553 5.178 ( -0.286 -0.000 -0.048) 0.290 5.201 ( -0.238 -0.000 0.055) 0.244 5.204 ( -2.112 -0.000 -1.369) 2.517 5.423 ( -0.844 -0.000 -6.792) 6.844 5.479 ( -1.859 -0.000 1.468) 2.369 5.520 ( -2.123 -0.000 1.185) 2.432 5.647 ( -0.444 -0.000 -2.742) 2.778 5.687 ( 0.154 0.000 -0.055) 0.163 5.987 ( -0.247 -0.000 5.109) 5.115 6.063 ( -0.368 -0.000 1.545) 1.588 6.451 ( 0.959 0.000 -3.749) 3.870 6.583 ( -0.147 -0.000 -1.516) 1.523 6.645 ( 1.104 0.000 0.018) 1.104 6.780 ( 1.619 0.000 5.044) 5.297======================= Grid point 281 (119/219) =======================q-point: ( 0.43 0.36 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( 1.743 -0.605 3.543) 3.994 0.812 ( 1.413 -0.094 3.402) 3.685 0.892 ( 0.601 -5.800 -2.238) 6.246 1.005 ( 1.227 -9.342 0.389) 9.431 1.018 ( 2.189 -3.134 -1.755) 4.206 1.053 ( -0.601 -1.915 -0.663) 2.114 1.130 ( -2.305 -9.749 -7.593) 12.570 1.243 ( -1.783 -6.322 -7.726) 10.141 1.287 ( 1.046 -12.803 4.171) 13.505 1.374 ( -0.626 -16.420 2.608) 16.638 1.486 ( -1.260 -17.032 -5.126) 17.831 1.629 ( -0.384 -7.683 2.591) 8.117 1.957 ( 1.249 -9.538 -3.291) 10.167 2.044 ( 0.054 -10.332 -0.264) 10.336 2.113 ( -0.154 -9.306 -0.041) 9.307 2.217 ( 0.336 -37.028 1.099) 37.046 2.268 ( 2.150 -12.014 9.536) 15.488 2.371 ( -0.553 -2.127 -2.080) 3.027 2.417 ( 1.064 2.226 4.912) 5.497 2.584 ( -0.082 -38.806 0.424) 38.808 2.697 ( 0.542 -2.101 -3.926) 4.485 2.862 ( -1.347 -9.433 4.451) 10.517 3.271 ( -2.984 -44.817 3.077) 45.022 3.500 ( 0.557 0.372 -4.487) 4.537 4.263 ( 0.270 -3.554 0.114) 3.566 4.330 ( 0.141 -2.297 -0.336) 2.326 4.387 ( 0.075 -4.628 0.997) 4.734 4.635 ( -1.992 -2.044 -5.047) 5.798 4.740 ( -1.089 1.594 -1.252) 2.301 4.880 ( 0.246 1.253 -1.487) 1.960 5.101 ( -3.494 4.205 -1.595) 5.695 5.165 ( -0.090 1.375 -0.984) 1.693 5.217 ( 0.048 -2.965 0.299) 2.980 5.235 ( -0.019 -2.637 1.410) 2.990 5.387 ( -0.440 1.699 -6.236) 6.478 5.486 ( -1.220 2.267 2.132) 3.343 5.495 ( -0.770 -1.171 0.826) 1.627 5.619 ( -0.102 1.996 -2.300) 3.047 5.672 ( 0.201 1.468 0.260) 1.505 5.977 ( 0.420 1.977 4.769) 5.180 6.055 ( -0.495 0.847 1.620) 1.894 6.416 ( 0.731 3.135 -4.651) 5.656 6.547 ( -0.220 3.416 -0.541) 3.465 6.607 ( 0.721 3.740 0.592) 3.854 6.730 ( 1.403 6.626 3.860) 7.795======================= Grid point 282 (120/219) =======================q-point: ( 0.50 0.36 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( -1.018 -3.430 1.044) 3.727 0.840 ( -2.055 -2.921 4.804) 5.986 0.929 ( 1.113 0.346 -3.398) 3.593 1.056 ( 0.619 -2.146 0.354) 2.261 1.069 ( -2.204 -3.195 -0.398) 3.902 1.134 ( 0.363 -3.801 -0.296) 3.830 1.280 ( -1.922 -8.559 -12.522) 15.289 1.389 ( 0.273 -8.654 -1.238) 8.746 1.450 ( 0.348 -7.349 2.572) 7.793 1.640 ( 1.384 -9.708 6.306) 11.659 1.829 ( -0.750 -18.051 -4.981) 18.741 1.900 ( 1.145 -16.645 0.651) 16.697 2.114 ( 1.371 -7.371 -5.000) 9.011 2.220 ( 0.924 -5.187 -0.236) 5.274 2.260 ( -1.528 -7.887 -0.283) 8.039 2.304 ( 0.421 -3.943 3.604) 5.359 2.397 ( -0.114 -3.741 3.647) 5.226 2.414 ( 0.553 -4.021 2.783) 4.922 2.646 ( 2.206 -1.505 -0.382) 2.698 2.782 ( 0.446 -2.225 5.563) 6.008 3.447 ( -0.625 -5.491 -6.041) 8.187 3.529 ( -0.057 -43.937 0.877) 43.946 3.588 ( -1.545 -50.206 -1.741) 50.260 4.110 ( -0.061 -36.102 8.226) 37.027 4.323 ( 0.290 -3.044 -0.076) 3.058 4.388 ( -0.013 -3.265 -1.500) 3.593 4.477 ( 0.351 -3.237 2.531) 4.124 4.671 ( 0.460 -0.038 -1.097) 1.190 4.710 ( -2.599 -3.450 -3.122) 5.329 4.846 ( 0.073 1.832 -1.630) 2.453 4.977 ( -3.129 5.828 -2.456) 7.056 5.137 ( -0.097 1.256 -0.255) 1.286 5.253 ( 0.591 -0.368 -0.820) 1.075 5.301 ( 0.273 -2.159 -1.641) 2.725 5.348 ( 0.729 -0.032 0.038) 0.731 5.429 ( -1.177 1.723 -0.552) 2.159 5.534 ( -0.893 -2.028 0.400) 2.251 5.578 ( 0.413 0.896 -1.911) 2.151 5.643 ( 0.201 1.583 0.454) 1.659 5.948 ( 0.800 2.076 3.477) 4.128 6.037 ( -0.695 0.924 1.000) 1.529 6.331 ( 0.495 4.414 -3.676) 5.766 6.452 ( -0.390 6.698 2.029) 7.010 6.540 ( 0.647 3.611 0.853) 3.767 6.596 ( 0.518 7.182 0.664) 7.231======================= Grid point 283 (121/219) =======================q-point: ( 0.57 0.36 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( -3.307 -5.948 -3.089) 7.473 0.898 ( -1.583 -1.706 0.547) 2.391 0.945 ( 0.555 -3.455 0.387) 3.521 1.102 ( -0.194 -2.611 1.333) 2.938 1.150 ( 0.365 -4.722 1.408) 4.941 1.188 ( 0.627 -2.369 1.069) 2.673 1.412 ( -2.121 -9.015 -8.973) 12.895 1.535 ( 0.147 -6.404 1.033) 6.489 1.595 ( 1.272 -6.786 0.864) 6.959 1.783 ( 0.383 -4.419 2.844) 5.269 2.088 ( -1.048 -8.086 -3.215) 8.764 2.136 ( 1.185 -3.616 -0.302) 3.817 2.195 ( 0.136 -3.372 2.294) 4.081 2.233 ( 0.319 -1.273 -2.985) 3.261 2.360 ( 0.066 -4.983 -3.144) 5.892 2.462 ( 2.025 -5.245 1.346) 5.781 2.504 ( -0.707 -10.303 2.213) 10.561 2.589 ( -2.023 -9.818 4.512) 10.993 2.710 ( 2.277 -5.273 -1.613) 5.966 2.829 ( 0.070 -2.046 5.926) 6.269 3.421 ( -0.707 0.880 -5.594) 5.707 4.176 ( 0.216 -19.776 0.212) 19.779 4.337 ( -0.342 -12.382 -1.475) 12.474 4.385 ( -1.597 -9.024 -1.504) 9.287 4.467 ( 0.981 -10.292 1.521) 10.450 4.509 ( 0.638 -3.406 0.739) 3.543 4.581 ( 0.895 -9.643 2.212) 9.934 4.625 ( 0.165 2.743 0.913) 2.896 4.813 ( -0.098 0.831 -1.573) 1.782 4.820 ( -0.212 -2.969 -0.805) 3.083 4.900 ( -1.515 -2.020 2.479) 3.538 5.130 ( -0.863 -0.103 0.510) 1.007 5.216 ( 0.994 1.373 -2.504) 3.024 5.349 ( 0.008 -1.609 -1.730) 2.362 5.404 ( 1.012 -7.191 0.423) 7.275 5.450 ( -0.477 -3.346 -0.811) 3.475 5.534 ( -0.297 -0.510 -1.405) 1.524 5.610 ( -0.134 -0.414 0.401) 0.592 5.631 ( 0.148 -2.854 -1.049) 3.044 5.928 ( 0.101 0.682 2.098) 2.208 6.027 ( -0.494 -0.420 0.040) 0.650 6.270 ( 0.612 2.073 0.839) 2.319 6.300 ( -0.484 8.017 0.627) 8.056 6.484 ( 0.224 2.570 0.085) 2.581 6.501 ( 0.015 3.072 0.207) 3.079======================= Grid point 284 (122/219) =======================q-point: (-0.36 -0.64 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -0.517 -2.103 -0.563) 2.238 0.931 ( -0.678 -5.329 -2.229) 5.816 1.025 ( -0.742 -5.453 -1.384) 5.675 1.155 ( -0.387 -2.731 1.062) 2.956 1.222 ( 0.064 -2.012 0.228) 2.026 1.271 ( 1.445 -5.355 4.012) 6.846 1.553 ( -1.579 -8.068 -4.251) 9.255 1.636 ( -0.490 -4.064 1.359) 4.313 1.720 ( 1.406 -5.650 0.484) 5.842 1.842 ( -0.564 -2.018 -0.839) 2.257 2.083 ( -0.276 4.874 1.531) 5.116 2.123 ( 0.072 1.785 0.043) 1.787 2.235 ( 0.608 1.900 1.361) 2.415 2.276 ( -0.499 -3.019 -4.469) 5.416 2.434 ( 0.095 -3.432 -4.793) 5.895 2.612 ( 0.587 -8.270 0.286) 8.296 2.642 ( 0.952 -3.274 4.069) 5.309 2.745 ( -0.894 -7.024 3.395) 7.852 2.850 ( 1.074 -6.261 3.045) 7.044 2.912 ( 0.351 -6.667 -0.044) 6.677 3.390 ( -1.004 0.645 -5.254) 5.388 4.372 ( 0.255 -4.023 -0.178) 4.035 4.413 ( -0.556 -2.515 1.157) 2.824 4.463 ( -0.720 -3.317 -1.157) 3.586 4.491 ( 0.149 -0.245 0.495) 0.572 4.558 ( 0.264 3.216 -0.088) 3.228 4.598 ( 0.271 3.771 -0.128) 3.783 4.702 ( 0.122 -2.561 -1.892) 3.186 4.823 ( -0.054 -0.440 1.070) 1.159 4.847 ( 0.236 0.615 1.259) 1.421 4.998 ( -0.438 -4.994 2.089) 5.431 5.118 ( -0.078 -1.785 -3.299) 3.752 5.235 ( 0.416 -0.708 3.064) 3.172 5.375 ( -0.217 -1.768 -2.201) 2.831 5.471 ( -0.850 0.490 -1.918) 2.154 5.522 ( 0.073 -2.819 0.543) 2.872 5.554 ( 1.009 0.269 -0.505) 1.160 5.636 ( 0.936 -2.829 1.383) 3.284 5.736 ( -1.053 -7.091 -2.838) 7.710 5.947 ( 0.015 -1.660 2.711) 3.179 6.051 ( 0.106 -1.780 0.325) 1.813 6.147 ( -1.031 5.437 -1.925) 5.859 6.280 ( 1.138 0.105 3.013) 3.222 6.448 ( -0.095 1.149 -0.332) 1.200 6.470 ( 0.012 0.440 0.248) 0.506======================= Grid point 285 (123/219) =======================q-point: (-0.29 -0.64 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( 0.191 0.159 -0.685) 0.728 0.977 ( -0.396 0.286 0.862) 0.991 1.158 ( 0.132 -4.678 -1.528) 4.923 1.233 ( -0.041 -8.435 -0.262) 8.439 1.240 ( -0.221 -0.049 0.085) 0.242 1.387 ( 0.842 -5.216 2.162) 5.708 1.668 ( -0.835 -4.478 -0.352) 4.569 1.691 ( -0.547 -1.965 0.595) 2.125 1.813 ( 0.258 -2.045 0.543) 2.131 1.860 ( -0.656 -1.341 -2.244) 2.695 1.988 ( 0.286 3.562 2.797) 4.538 2.096 ( 0.364 1.067 -2.092) 2.377 2.189 ( 0.366 2.849 0.365) 2.895 2.285 ( -0.501 0.335 -1.663) 1.768 2.483 ( 0.091 -3.096 -4.406) 5.385 2.663 ( 0.456 0.971 1.870) 2.156 2.758 ( 0.616 -6.120 -0.350) 6.161 2.864 ( 1.533 -4.309 4.761) 6.602 2.965 ( 0.502 -5.275 5.450) 7.602 3.051 ( -0.037 -6.849 -3.898) 7.880 3.367 ( -0.900 0.173 -4.039) 4.141 4.391 ( 0.216 1.209 0.083) 1.231 4.433 ( -0.477 4.179 0.282) 4.216 4.472 ( -0.036 -2.672 0.535) 2.726 4.518 ( -1.020 -0.557 -0.180) 1.176 4.537 ( -0.197 -1.187 0.257) 1.230 4.569 ( 0.638 -2.447 -1.564) 2.974 4.720 ( 0.442 -0.659 -1.819) 1.985 4.813 ( -0.224 0.983 1.838) 2.096 4.835 ( 0.351 0.544 1.544) 1.674 5.041 ( -0.395 -1.539 1.240) 2.015 5.154 ( 0.176 -0.311 -2.349) 2.376 5.234 ( -0.049 1.282 2.480) 2.792 5.385 ( -0.189 1.012 -4.916) 5.023 5.435 ( -0.686 0.800 0.185) 1.070 5.547 ( 0.061 -1.321 -0.069) 1.324 5.567 ( -0.147 -0.023 0.870) 0.883 5.667 ( 0.561 0.101 3.300) 3.349 5.812 ( -0.854 -1.618 -3.284) 3.759 5.951 ( 0.067 1.843 1.379) 2.303 6.068 ( -0.208 1.626 -1.327) 2.109 6.097 ( 0.206 -1.151 -0.070) 1.172 6.273 ( 0.604 1.714 2.596) 3.169 6.438 ( 0.040 -0.042 -0.100) 0.116 6.472 ( -0.004 -0.179 -0.007) 0.179======================= Grid point 286 (124/219) =======================q-point: (-0.21 -0.64 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -0.240 0.994 -0.290) 1.063 0.948 ( -0.386 2.152 0.265) 2.203 1.186 ( 0.214 -0.071 -0.019) 0.226 1.223 ( -0.139 1.262 0.112) 1.274 1.429 ( -0.403 -8.922 -0.138) 8.932 1.484 ( 0.569 -4.683 0.352) 4.731 1.665 ( 0.165 4.230 1.327) 4.436 1.723 ( 0.147 -1.825 -0.105) 1.834 1.820 ( -0.147 -0.929 1.655) 1.903 1.889 ( -0.390 -0.705 -1.519) 1.719 1.983 ( 0.022 -1.092 1.447) 1.813 2.068 ( -0.053 1.364 -3.098) 3.386 2.146 ( 0.078 1.437 -0.628) 1.570 2.279 ( 0.152 -0.115 0.100) 0.216 2.530 ( 0.372 -2.135 -2.011) 2.957 2.641 ( -0.111 1.066 0.499) 1.183 2.857 ( 0.867 -4.220 -1.347) 4.514 2.947 ( 1.687 -2.382 4.679) 5.515 3.072 ( 0.122 -4.250 2.956) 5.178 3.134 ( -0.102 -2.882 -3.120) 4.249 3.359 ( -0.562 -0.479 -2.020) 2.151 4.354 ( -0.160 2.949 -0.126) 2.956 4.361 ( -0.034 1.592 -0.026) 1.593 4.503 ( -0.372 -0.646 -0.011) 0.745 4.528 ( -0.093 -1.043 1.127) 1.539 4.584 ( -0.284 -2.779 0.357) 2.816 4.625 ( 0.268 -2.743 -1.628) 3.201 4.729 ( 0.191 -0.404 -1.042) 1.134 4.802 ( -0.025 0.633 1.370) 1.509 4.850 ( 0.313 -1.899 1.088) 2.211 5.057 ( -0.248 1.865 1.279) 2.275 5.137 ( -0.195 -0.683 -2.144) 2.258 5.213 ( 0.129 1.170 2.239) 2.530 5.321 ( -0.034 3.259 -3.906) 5.087 5.454 ( -0.292 -2.235 0.054) 2.254 5.534 ( -0.703 2.754 0.220) 2.850 5.589 ( 0.229 -2.732 -0.370) 2.766 5.666 ( -0.309 1.276 3.877) 4.093 5.776 ( -0.100 3.990 -2.046) 4.486 5.919 ( -0.275 0.968 -1.149) 1.527 6.010 ( 0.117 3.117 -0.427) 3.149 6.128 ( 0.323 -1.344 0.196) 1.397 6.243 ( 0.127 1.776 1.587) 2.385 6.444 ( 0.097 -0.456 0.221) 0.516 6.469 ( 0.006 0.387 -0.179) 0.427======================= Grid point 287 (125/219) =======================q-point: (-0.14 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( -0.272 0.639 0.392) 0.798 0.912 ( 0.377 1.294 -0.534) 1.449 1.187 ( 0.371 -0.291 -0.158) 0.497 1.203 ( -0.257 0.597 0.182) 0.675 1.488 ( -2.018 1.161 0.024) 2.329 1.555 ( 2.512 1.198 1.285) 3.065 1.637 ( -0.720 -3.598 0.132) 3.671 1.775 ( -0.118 -3.133 0.019) 3.135 1.797 ( 0.520 3.549 -0.407) 3.610 1.903 ( -0.621 -1.328 0.485) 1.544 2.011 ( -0.395 -1.382 1.087) 1.802 2.044 ( 0.020 -0.061 -0.481) 0.485 2.131 ( 0.128 0.158 -0.731) 0.759 2.283 ( 0.242 0.037 -0.348) 0.426 2.551 ( 0.360 -0.203 -1.089) 1.165 2.642 ( -0.891 -1.508 0.280) 1.773 2.915 ( 0.345 -1.485 -2.133) 2.621 2.979 ( 0.983 0.879 3.465) 3.707 3.094 ( -0.851 2.136 -3.520) 4.204 3.180 ( 0.445 -2.163 2.138) 3.074 3.369 ( -0.202 -0.923 0.056) 0.947 4.328 ( 0.172 -0.121 0.030) 0.213 4.339 ( -0.044 0.595 -0.014) 0.596 4.513 ( -0.073 -0.250 -0.181) 0.317 4.537 ( 0.019 0.452 2.225) 2.270 4.613 ( -0.330 -0.061 -1.105) 1.155 4.663 ( -0.037 -1.394 -0.327) 1.432 4.732 ( 0.050 -0.074 -0.168) 0.190 4.795 ( -0.158 0.202 0.326) 0.415 4.895 ( 0.089 -0.513 0.195) 0.556 4.995 ( 0.003 1.506 -0.091) 1.509 5.156 ( -0.303 0.030 0.950) 0.998 5.208 ( 0.325 0.478 -0.800) 0.987 5.285 ( 0.322 -1.396 -0.976) 1.734 5.468 ( 0.894 3.743 1.424) 4.104 5.507 ( -1.345 -3.189 -0.746) 3.540 5.603 ( 0.339 4.022 -0.393) 4.056 5.664 ( 0.259 -1.830 0.085) 1.851 5.688 ( -0.123 2.251 -0.513) 2.312 5.917 ( 0.125 -0.720 -0.692) 1.007 5.980 ( 0.024 -0.301 0.166) 0.345 6.147 ( -0.026 -0.500 -0.132) 0.518 6.226 ( -0.209 0.116 0.853) 0.885 6.452 ( -0.005 0.051 0.382) 0.385 6.465 ( -0.014 -0.312 -0.284) 0.422======================= Grid point 288 (126/219) =======================q-point: (-0.07 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( 0.604 -0.765 0.298) 1.019 0.903 ( 0.814 -0.161 -0.486) 0.962 1.195 ( -0.044 -0.175 0.129) 0.222 1.211 ( 0.154 -1.448 0.020) 1.456 1.424 ( 0.028 3.926 0.617) 3.974 1.511 ( -0.591 4.093 0.119) 4.137 1.680 ( -0.908 0.976 0.489) 1.420 1.735 ( 0.343 1.546 -1.136) 1.949 1.827 ( -0.762 -1.117 0.003) 1.352 1.897 ( -0.341 0.622 1.915) 2.043 2.010 ( -1.344 0.904 -0.243) 1.638 2.102 ( 1.265 -3.825 2.230) 4.605 2.143 ( -0.098 -1.778 -1.379) 2.252 2.280 ( 0.141 -0.191 0.454) 0.512 2.543 ( 0.381 0.704 -1.583) 1.774 2.680 ( -1.750 -2.422 0.487) 3.027 2.892 ( -0.259 3.552 -1.614) 3.910 2.943 ( 0.095 3.397 1.546) 3.734 3.000 ( -1.073 5.578 -4.324) 7.138 3.195 ( -0.063 1.629 1.664) 2.329 3.393 ( 0.086 -1.385 1.690) 2.187 4.343 ( 0.444 -1.354 0.034) 1.426 4.353 ( 0.085 -1.831 0.069) 1.834 4.505 ( 0.165 0.772 0.571) 0.974 4.524 ( 0.277 1.584 2.851) 3.273 4.585 ( -0.849 1.901 -2.353) 3.142 4.669 ( -0.371 0.848 0.458) 1.033 4.736 ( 0.263 -0.249 0.298) 0.468 4.795 ( -0.485 -0.318 -0.635) 0.860 4.841 ( -0.447 3.524 -0.633) 3.608 5.035 ( 0.251 -2.429 -0.042) 2.442 5.148 ( 0.886 0.383 2.060) 2.275 5.189 ( -0.330 0.451 -2.091) 2.165 5.355 ( 0.312 -4.185 0.720) 4.258 5.410 ( 1.165 2.597 1.096) 3.050 5.515 ( 1.168 2.916 -0.692) 3.217 5.572 ( -0.428 -1.969 -2.144) 2.942 5.599 ( 0.335 3.135 0.210) 3.160 5.776 ( 0.398 -5.296 -0.376) 5.325 5.917 ( 0.677 0.819 0.254) 1.093 6.029 ( -0.115 -4.166 0.462) 4.194 6.145 ( -0.568 0.414 -0.369) 0.794 6.239 ( -0.565 -1.382 0.169) 1.502 6.447 ( -0.137 0.240 0.092) 0.291 6.475 ( -0.093 -0.583 0.017) 0.591======================= Grid point 295 (127/219) =======================q-point: ( 0.43 0.43 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.374 ( -0.154 -0.000 -0.514) 0.537 0.708 ( 1.059 0.000 1.525) 1.856 0.858 ( -4.489 -0.000 3.997) 6.010 0.858 ( 3.106 0.000 -6.392) 7.106 0.916 ( 0.370 0.000 2.243) 2.273 1.013 ( 5.163 0.000 -7.999) 9.521 1.048 ( 2.118 0.000 3.597) 4.175 1.060 ( -0.415 -0.000 0.409) 0.583 1.092 ( -3.698 -0.000 1.103) 3.859 1.172 ( 1.210 0.000 -9.017) 9.098 1.369 ( -1.996 -0.000 -5.220) 5.589 1.545 ( 1.025 0.000 -0.635) 1.205 1.602 ( -3.101 -0.000 8.066) 8.641 1.931 ( 1.307 0.000 -3.025) 3.295 1.945 ( 0.010 0.000 -0.430) 0.431 2.045 ( -0.105 -0.000 0.135) 0.171 2.180 ( 0.042 0.000 -0.112) 0.120 2.282 ( 3.251 0.000 9.474) 10.017 2.379 ( -0.144 -0.000 1.531) 1.538 2.564 ( -1.053 -0.000 -1.782) 2.069 2.622 ( 0.160 0.000 0.162) 0.228 2.687 ( 0.187 0.000 -4.158) 4.163 2.840 ( 0.474 0.000 7.454) 7.469 3.503 ( 0.550 0.000 -5.718) 5.744 4.217 ( -0.021 -0.000 -0.036) 0.042 4.309 ( -0.053 -0.000 -0.012) 0.054 4.334 ( -0.229 -0.000 0.036) 0.232 4.593 ( -1.684 -0.000 -6.247) 6.470 4.751 ( -0.370 -0.000 -1.480) 1.525 4.893 ( 0.686 0.000 -0.835) 1.081 5.125 ( -4.170 -0.000 -2.927) 5.094 5.176 ( -0.151 -0.000 -0.048) 0.158 5.184 ( -0.249 -0.000 -0.905) 0.939 5.199 ( -0.142 -0.000 0.058) 0.153 5.388 ( -0.218 -0.000 -5.168) 5.172 5.488 ( 0.535 0.000 3.297) 3.340 5.512 ( -0.936 -0.000 1.370) 1.659 5.634 ( 0.165 0.000 -2.675) 2.680 5.690 ( 0.279 0.000 0.386) 0.476 6.011 ( 0.122 0.000 5.842) 5.843 6.067 ( -0.326 -0.000 1.715) 1.746 6.439 ( 0.346 0.000 -4.647) 4.660 6.574 ( -0.216 -0.000 -1.868) 1.880 6.649 ( 0.089 0.000 -0.617) 0.624 6.818 ( 1.163 0.000 5.851) 5.965======================= Grid point 296 (128/219) =======================q-point: ( 0.50 0.43 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( -0.641 -0.696 2.097) 2.301 0.805 ( -4.566 0.084 2.108) 5.029 0.909 ( 4.594 -8.373 -2.851) 9.968 1.003 ( -1.782 -2.957 -1.052) 3.609 1.021 ( -0.858 -5.338 -1.636) 5.648 1.040 ( -0.084 -0.392 0.064) 0.406 1.080 ( -0.063 -8.323 -9.890) 12.927 1.215 ( 0.930 -9.044 -3.159) 9.625 1.315 ( 1.687 -10.755 2.398) 11.148 1.383 ( 0.147 -16.114 0.878) 16.139 1.449 ( -1.787 -21.311 -3.405) 21.655 1.639 ( -0.319 -7.963 4.052) 8.940 1.946 ( -0.022 -9.292 -4.291) 10.235 2.041 ( -0.154 -10.018 -0.698) 10.044 2.113 ( 0.012 -7.152 0.218) 7.156 2.222 ( 0.243 -46.689 0.721) 46.695 2.331 ( 1.101 -5.001 9.286) 10.604 2.354 ( -0.393 1.117 -1.517) 1.924 2.451 ( 1.082 -0.911 5.185) 5.375 2.585 ( -0.018 -39.227 0.430) 39.229 2.685 ( 0.601 -2.693 -3.925) 4.798 2.877 ( -0.318 -6.535 6.460) 9.194 3.272 ( 0.046 -46.450 4.218) 46.641 3.479 ( -0.096 0.677 -6.387) 6.424 4.265 ( 0.033 -3.604 0.050) 3.604 4.329 ( 0.031 -2.179 -0.437) 2.223 4.392 ( 0.037 -5.347 1.197) 5.480 4.594 ( -0.842 -2.442 -6.852) 7.323 4.730 ( -0.188 1.694 -0.921) 1.938 4.878 ( 0.604 1.606 -1.008) 1.990 5.046 ( -3.806 4.069 -5.313) 7.699 5.166 ( 0.125 1.336 0.525) 1.441 5.218 ( 0.024 -3.551 -0.198) 3.557 5.241 ( -0.140 -3.072 1.378) 3.369 5.362 ( 0.095 1.466 -4.363) 4.604 5.483 ( -0.541 2.814 0.941) 3.016 5.505 ( 0.549 -0.749 2.424) 2.596 5.610 ( 0.375 1.877 -2.462) 3.119 5.677 ( 0.351 1.484 0.422) 1.582 6.004 ( 0.388 2.026 5.397) 5.778 6.058 ( -0.468 1.022 1.639) 1.988 6.398 ( 0.066 3.132 -5.259) 6.121 6.540 ( -0.414 2.970 -0.896) 3.130 6.613 ( 0.140 3.206 0.376) 3.231 6.759 ( 0.728 7.452 4.264) 8.617======================= Grid point 297 (129/219) =======================q-point: (-0.43 -0.57 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( -2.113 -1.077 0.344) 2.396 0.829 ( -3.728 -3.976 3.333) 6.388 0.927 ( 1.090 0.967 -2.557) 2.943 1.055 ( 0.036 -4.954 -0.446) 4.974 1.063 ( 0.507 -2.276 0.639) 2.417 1.140 ( 0.935 -4.005 -0.316) 4.125 1.210 ( -1.321 -8.257 -11.694) 14.376 1.387 ( -0.040 -9.061 -0.635) 9.083 1.468 ( 1.072 -7.267 2.416) 7.733 1.678 ( 0.962 -9.045 5.141) 10.448 1.795 ( -1.220 -18.433 -5.365) 19.237 1.911 ( 0.025 -16.664 1.641) 16.745 2.099 ( -0.146 -8.510 -4.312) 9.541 2.225 ( -0.632 -3.295 0.345) 3.373 2.246 ( 0.067 -10.040 -1.401) 10.137 2.316 ( -0.045 -2.752 0.934) 2.907 2.406 ( -0.691 -5.891 3.382) 6.828 2.440 ( 1.323 -0.834 3.687) 4.005 2.664 ( 1.307 -1.724 -0.311) 2.185 2.817 ( 0.653 -2.128 8.219) 8.516 3.409 ( -1.266 -7.304 -6.953) 10.163 3.531 ( -0.085 -42.912 0.296) 42.913 3.573 ( 0.258 -49.446 -1.928) 49.484 4.160 ( 1.674 -36.932 10.702) 38.488 4.325 ( 0.147 -3.177 -0.033) 3.180 4.379 ( -0.406 -3.011 -1.427) 3.357 4.491 ( 0.209 -3.356 2.437) 4.153 4.664 ( 0.914 -7.105 -5.900) 9.280 4.685 ( -0.290 2.262 -0.179) 2.287 4.842 ( 0.395 2.037 -1.390) 2.497 4.932 ( -2.726 4.722 -4.565) 7.111 5.137 ( 0.047 1.514 0.118) 1.519 5.256 ( 0.636 1.722 -0.856) 2.026 5.296 ( -0.160 -2.920 -0.956) 3.077 5.354 ( 0.395 -2.338 -0.033) 2.372 5.417 ( -0.840 2.759 -0.265) 2.896 5.530 ( -0.500 -0.795 0.298) 0.985 5.577 ( 0.910 0.357 -1.630) 1.901 5.648 ( 0.415 1.605 0.358) 1.696 5.969 ( 0.256 2.590 3.581) 4.426 6.035 ( -0.560 1.204 0.905) 1.607 6.318 ( 0.180 3.429 -3.500) 4.903 6.454 ( -0.691 6.220 1.417) 6.417 6.549 ( 0.434 3.585 1.002) 3.747 6.602 ( 0.039 8.237 0.870) 8.283======================= Grid point 298 (130/219) =======================q-point: (-0.36 -0.57 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( -1.753 -5.753 -3.222) 6.823 0.886 ( -1.363 -2.264 0.515) 2.693 0.957 ( 0.962 -2.932 0.939) 3.226 1.108 ( 0.311 -2.477 1.210) 2.774 1.160 ( 0.808 -4.694 0.728) 4.819 1.205 ( 1.374 -3.147 1.597) 3.787 1.355 ( -1.710 -10.024 -7.925) 12.892 1.537 ( -0.669 -6.484 0.984) 6.593 1.609 ( 0.776 -6.684 1.298) 6.853 1.792 ( -0.177 -3.357 0.609) 3.416 2.063 ( -0.899 -9.309 -3.321) 9.924 2.148 ( 0.704 -2.640 1.358) 3.051 2.204 ( -0.365 -4.849 2.535) 5.484 2.218 ( -0.959 -1.055 -2.580) 2.947 2.348 ( 0.390 -4.001 -3.419) 5.278 2.486 ( 1.190 -4.117 0.548) 4.320 2.505 ( 0.218 -11.702 1.044) 11.751 2.588 ( -1.884 -9.988 4.037) 10.936 2.724 ( 1.751 -4.892 -1.571) 5.428 2.866 ( 1.104 -1.481 7.973) 8.184 3.385 ( -1.026 0.765 -6.625) 6.748 4.177 ( -0.148 -19.810 0.276) 19.812 4.326 ( -0.265 -17.339 -2.075) 17.465 4.369 ( -0.953 -3.589 -0.200) 3.719 4.476 ( -0.001 -13.227 0.643) 13.243 4.516 ( -0.109 -0.580 0.835) 1.023 4.601 ( 0.863 -7.190 2.284) 7.593 4.633 ( 0.623 2.363 1.021) 2.649 4.805 ( -0.045 0.832 -1.466) 1.687 4.818 ( 0.510 -2.005 -0.835) 2.231 4.900 ( -0.282 -5.467 2.393) 5.974 5.122 ( -1.032 1.050 0.042) 1.473 5.217 ( 1.686 -1.046 -2.406) 3.119 5.341 ( -0.334 -0.319 -1.311) 1.390 5.412 ( 0.398 -7.398 0.247) 7.413 5.440 ( -0.843 -3.353 -0.573) 3.505 5.526 ( -0.176 -0.971 -1.327) 1.654 5.610 ( 0.008 -1.421 -0.012) 1.421 5.632 ( 0.726 -1.111 -0.931) 1.622 5.935 ( -0.419 0.988 2.095) 2.354 6.025 ( -0.022 -0.573 0.029) 0.574 6.278 ( 0.218 2.638 0.815) 2.770 6.300 ( -0.065 6.927 0.612) 6.954 6.486 ( 0.080 3.149 0.072) 3.150 6.501 ( -0.032 2.764 0.230) 2.774======================= Grid point 299 (131/219) =======================q-point: (-0.29 -0.57 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( -0.487 -4.460 -0.980) 4.593 0.926 ( 1.031 -4.727 -1.149) 4.973 1.019 ( 0.351 -4.222 -0.602) 4.279 1.158 ( 0.103 -2.417 1.011) 2.622 1.224 ( 0.218 -1.856 0.164) 1.875 1.302 ( 1.573 -5.070 2.756) 5.981 1.522 ( -1.222 -9.207 -3.174) 9.815 1.631 ( -1.799 -3.966 1.296) 4.544 1.734 ( 0.589 -5.742 1.261) 5.909 1.830 ( -0.441 -1.358 -2.313) 2.718 2.089 ( 0.142 3.929 1.722) 4.292 2.124 ( 0.342 2.225 -0.427) 2.291 2.237 ( -0.344 0.185 -2.038) 2.075 2.265 ( 0.019 -1.386 1.180) 1.820 2.415 ( 0.509 -3.206 -5.048) 6.002 2.616 ( 0.100 -8.256 -0.280) 8.261 2.665 ( 0.788 -2.991 2.245) 3.822 2.754 ( -0.304 -8.694 3.780) 9.485 2.870 ( 1.262 -8.289 0.212) 8.387 2.928 ( 1.439 -3.188 3.375) 4.861 3.356 ( -1.068 0.329 -5.488) 5.601 4.372 ( -0.004 -4.248 -0.144) 4.250 4.413 ( -0.511 -2.498 1.185) 2.812 4.451 ( -0.641 -3.939 -0.811) 4.072 4.494 ( 0.061 0.833 0.253) 0.872 4.562 ( 0.439 3.351 -0.237) 3.388 4.597 ( -0.210 3.812 -0.297) 3.829 4.698 ( 0.651 -2.537 -1.367) 2.954 4.824 ( -0.674 -0.780 0.890) 1.361 4.855 ( 0.242 0.129 0.909) 0.949 5.003 ( -0.538 -4.246 2.362) 4.888 5.101 ( -0.514 -2.438 -3.188) 4.047 5.254 ( 0.388 -0.090 3.277) 3.301 5.361 ( -0.253 -1.819 -2.835) 3.378 5.451 ( -1.662 0.870 -1.183) 2.218 5.523 ( -0.232 -2.771 0.591) 2.843 5.560 ( 0.677 -0.289 -0.885) 1.151 5.653 ( 1.063 -2.895 2.219) 3.799 5.712 ( -0.868 -6.721 -3.443) 7.601 5.958 ( -0.021 -2.154 2.461) 3.271 6.056 ( 0.709 -2.088 0.229) 2.216 6.133 ( -0.524 6.138 -0.982) 6.238 6.301 ( 0.874 -0.011 1.923) 2.113 6.446 ( -0.026 1.111 -0.274) 1.145 6.471 ( 0.000 0.538 0.197) 0.573======================= Grid point 300 (132/219) =======================q-point: (-0.21 -0.57 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( -0.151 0.124 -0.575) 0.607 0.973 ( -1.050 0.434 0.625) 1.297 1.163 ( 1.713 -4.414 -0.712) 4.788 1.229 ( -0.204 -5.347 -0.071) 5.351 1.246 ( 0.915 -3.296 0.205) 3.427 1.399 ( 0.025 -4.282 0.846) 4.365 1.660 ( -0.685 -5.182 0.656) 5.268 1.685 ( -1.236 -2.764 0.245) 3.038 1.815 ( -0.324 -0.282 0.368) 0.566 1.849 ( -0.056 -3.023 -1.544) 3.395 2.009 ( 1.486 3.688 2.454) 4.673 2.092 ( 0.628 1.575 -2.128) 2.721 2.192 ( 0.252 3.107 -0.470) 3.153 2.279 ( -0.196 -0.064 0.387) 0.438 2.470 ( 0.840 -3.524 -3.878) 5.307 2.671 ( 0.144 1.398 0.753) 1.594 2.764 ( 0.869 -6.202 -0.447) 6.279 2.904 ( 1.795 -4.866 5.512) 7.569 2.992 ( 0.654 -4.416 4.074) 6.044 3.033 ( 0.172 -6.555 -4.444) 7.922 3.342 ( -0.724 -0.381 -3.407) 3.503 4.392 ( -0.107 1.285 -0.160) 1.299 4.428 ( -0.764 4.235 0.556) 4.339 4.473 ( -0.334 -2.391 0.205) 2.423 4.505 ( -1.134 -1.717 0.054) 2.059 4.538 ( 0.190 -0.745 0.354) 0.847 4.572 ( 1.141 -2.119 -1.318) 2.744 4.718 ( 0.687 -0.585 -1.369) 1.639 4.818 ( -0.427 0.666 1.551) 1.741 4.842 ( 0.030 0.598 0.858) 1.046 5.043 ( -0.390 -1.823 1.306) 2.276 5.143 ( -0.319 -0.240 -2.246) 2.281 5.245 ( -0.217 1.353 2.794) 3.112 5.361 ( -0.171 1.481 -4.753) 4.981 5.425 ( -1.472 -0.188 0.371) 1.530 5.544 ( -0.391 -0.728 -0.194) 0.848 5.570 ( -0.122 -0.071 0.737) 0.751 5.687 ( 0.434 -0.189 3.554) 3.586 5.789 ( -0.769 -1.737 -3.315) 3.821 5.957 ( 0.072 2.493 1.121) 2.734 6.062 ( 0.072 1.861 -0.840) 2.043 6.102 ( 0.753 -1.672 0.097) 1.836 6.286 ( 0.168 2.026 1.547) 2.554 6.438 ( 0.119 -0.150 -0.073) 0.205 6.472 ( 0.042 -0.142 -0.025) 0.150======================= Grid point 301 (133/219) =======================q-point: (-0.14 -0.57 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( -0.435 1.010 -0.107) 1.105 0.943 ( -0.806 1.794 0.054) 1.968 1.190 ( 0.464 0.053 0.136) 0.486 1.221 ( -0.380 1.212 -0.029) 1.271 1.422 ( -0.810 -6.579 -0.320) 6.636 1.487 ( 0.131 -6.095 -0.318) 6.104 1.678 ( 0.867 3.211 1.673) 3.723 1.723 ( 0.130 -1.862 -0.569) 1.951 1.831 ( 0.532 -2.158 2.604) 3.424 1.880 ( -0.233 0.376 -1.242) 1.318 1.993 ( 0.681 -0.329 1.376) 1.570 2.057 ( 0.131 1.464 -2.057) 2.529 2.144 ( 0.146 1.500 -0.632) 1.634 2.282 ( 0.257 -0.169 0.245) 0.394 2.530 ( 1.026 -2.307 -1.308) 2.844 2.640 ( -0.227 1.317 -0.054) 1.337 2.859 ( 0.812 -3.732 -1.213) 4.008 2.983 ( 1.441 -1.787 3.909) 4.533 3.077 ( -0.054 -2.892 -0.672) 2.970 3.124 ( -0.067 -4.012 -1.056) 4.150 3.348 ( -0.248 -1.000 -1.069) 1.485 4.351 ( -0.217 2.554 -0.063) 2.564 4.360 ( -0.195 1.724 -0.038) 1.736 4.496 ( -0.954 -1.081 -0.148) 1.450 4.530 ( -0.425 -1.042 0.663) 1.306 4.589 ( 0.590 -2.804 1.038) 3.048 4.623 ( 0.600 -2.380 -1.351) 2.802 4.728 ( 0.369 -0.342 -0.669) 0.837 4.807 ( -0.096 0.737 0.963) 1.216 4.856 ( 0.165 -2.016 0.508) 2.085 5.059 ( -0.511 2.646 1.094) 2.908 5.125 ( -0.417 -1.410 -1.775) 2.305 5.225 ( 0.243 1.029 2.551) 2.762 5.302 ( -0.127 2.784 -4.070) 4.932 5.445 ( -1.530 -2.230 -0.216) 2.713 5.532 ( -0.011 2.042 0.676) 2.151 5.589 ( 0.090 -2.456 -0.466) 2.502 5.683 ( -0.021 2.229 4.620) 5.130 5.764 ( -0.284 2.837 -2.882) 4.054 5.913 ( -0.102 1.522 -0.532) 1.615 6.011 ( 0.266 2.839 -0.198) 2.858 6.133 ( 0.487 -1.063 0.049) 1.170 6.248 ( -0.250 1.939 0.821) 2.121 6.446 ( 0.130 -0.504 0.201) 0.558 6.468 ( -0.011 0.468 -0.226) 0.520======================= Grid point 302 (134/219) =======================q-point: (-0.07 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( -0.107 0.173 0.599) 0.633 0.913 ( 0.245 0.961 -0.662) 1.192 1.190 ( 0.399 -0.312 -0.138) 0.525 1.201 ( -0.321 0.559 0.120) 0.656 1.467 ( -1.690 -0.161 -1.046) 1.994 1.576 ( 0.813 0.847 0.413) 1.245 1.634 ( -0.116 -1.427 1.095) 1.803 1.774 ( 0.024 -2.860 0.144) 2.863 1.798 ( 0.284 4.274 -0.699) 4.340 1.906 ( 0.237 -1.675 1.748) 2.432 2.010 ( -0.542 -0.472 0.803) 1.077 2.049 ( 0.804 -1.534 0.672) 1.858 2.130 ( 0.152 0.182 -0.667) 0.708 2.284 ( 0.266 0.197 -0.350) 0.482 2.551 ( 0.582 -0.007 -0.692) 0.904 2.634 ( -0.908 -0.990 0.052) 1.344 2.906 ( -0.133 -1.031 -2.038) 2.288 2.998 ( 0.387 1.357 1.393) 1.983 3.073 ( -0.575 2.718 -2.079) 3.470 3.189 ( 0.013 -2.364 0.875) 2.521 3.370 ( 0.074 -1.320 0.491) 1.410 4.330 ( 0.199 -0.236 0.004) 0.309 4.338 ( -0.100 0.439 0.034) 0.451 4.511 ( -0.128 -0.470 -0.104) 0.498 4.540 ( -0.851 -0.237 0.914) 1.271 4.611 ( 0.497 0.978 -0.045) 1.098 4.663 ( 0.097 -1.477 -0.179) 1.491 4.733 ( 0.212 -0.225 0.128) 0.334 4.794 ( -0.191 0.560 0.247) 0.641 4.896 ( -0.040 0.351 0.067) 0.359 4.993 ( -0.186 0.631 -0.440) 0.791 5.156 ( -0.360 -0.902 0.889) 1.317 5.209 ( 0.459 2.048 -0.648) 2.197 5.282 ( 0.105 -2.536 -1.262) 2.834 5.468 ( -0.954 0.897 -1.388) 1.909 5.506 ( 0.596 -0.827 2.239) 2.460 5.613 ( 1.236 4.520 0.976) 4.786 5.665 ( -0.007 -4.333 -0.325) 4.345 5.683 ( -0.228 4.048 -0.727) 4.120 5.917 ( 0.363 -1.508 -0.289) 1.578 5.981 ( 0.018 0.053 0.121) 0.133 6.146 ( -0.040 -0.186 -0.123) 0.226 6.224 ( -0.577 0.278 0.281) 0.699 6.453 ( -0.038 0.292 0.399) 0.496 6.463 ( -0.056 -0.470 -0.417) 0.631======================= Grid point 310 (135/219) =======================q-point: (-0.50 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.374 ( 0.497 0.000 -0.463) 0.679 0.686 ( -4.937 -0.000 -5.238) 7.198 0.815 ( -4.487 -0.000 2.872) 5.327 0.837 ( -2.189 -0.000 -5.033) 5.488 0.941 ( 2.620 0.000 2.125) 3.373 1.011 ( 1.597 0.000 -8.287) 8.440 1.057 ( -2.771 -0.000 -0.454) 2.808 1.063 ( 0.310 0.000 1.204) 1.243 1.089 ( 1.738 0.000 3.887) 4.258 1.178 ( 3.867 0.000 -5.585) 6.793 1.333 ( -0.603 -0.000 -2.616) 2.684 1.548 ( 0.192 0.000 -0.673) 0.700 1.615 ( -1.394 -0.000 8.978) 9.086 1.918 ( -0.630 -0.000 -4.410) 4.454 1.944 ( 0.162 0.000 -0.292) 0.334 2.044 ( -0.066 -0.000 0.045) 0.080 2.179 ( -0.092 -0.000 -0.149) 0.175 2.350 ( 2.268 0.000 8.804) 9.091 2.379 ( -0.435 -0.000 -0.532) 0.688 2.552 ( -0.052 -0.000 -0.858) 0.860 2.623 ( -0.031 -0.000 0.177) 0.180 2.675 ( 0.292 0.000 -3.285) 3.298 2.885 ( 1.169 0.000 9.480) 9.552 3.475 ( -0.206 -0.000 -7.505) 7.508 4.217 ( 0.018 0.000 -0.034) 0.038 4.309 ( 0.013 0.000 -0.014) 0.019 4.333 ( -0.026 -0.000 0.035) 0.044 4.553 ( -0.570 -0.000 -7.294) 7.316 4.743 ( 0.071 0.000 -1.609) 1.611 4.900 ( 1.003 0.000 0.253) 1.035 5.060 ( -4.081 -0.000 -6.288) 7.496 5.175 ( 0.012 0.000 -0.047) 0.048 5.183 ( -0.194 -0.000 0.736) 0.761 5.198 ( -0.011 -0.000 0.058) 0.059 5.372 ( 0.295 0.000 -2.860) 2.875 5.507 ( 0.294 0.000 1.886) 1.909 5.515 ( 0.518 0.000 2.057) 2.121 5.627 ( 0.863 0.000 -2.890) 3.016 5.695 ( 0.466 0.000 0.507) 0.689 6.039 ( 0.108 0.000 6.324) 6.325 6.071 ( -0.344 -0.000 1.724) 1.758 6.417 ( -0.357 -0.000 -5.470) 5.481 6.563 ( -0.278 -0.000 -1.743) 1.765 6.645 ( -0.352 -0.000 -0.235) 0.423 6.851 ( 0.412 0.000 5.382) 5.398======================= Grid point 311 (136/219) =======================q-point: (-0.43 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( -5.384 -4.020 -2.640) 7.220 0.769 ( -4.780 0.655 3.612) 6.027 0.930 ( -0.297 -9.493 -2.022) 9.710 0.977 ( 1.662 2.624 -2.099) 3.749 1.013 ( -0.195 -10.887 -0.394) 10.896 1.040 ( 0.362 -5.119 -7.906) 9.425 1.047 ( 0.970 -0.995 -0.687) 1.550 1.212 ( -0.786 -8.581 -1.542) 8.754 1.343 ( 2.332 -12.219 0.328) 12.444 1.371 ( 0.047 -14.822 -3.758) 15.291 1.440 ( -0.198 -22.113 2.982) 22.314 1.656 ( -0.435 -7.656 5.026) 9.169 1.919 ( -1.375 -7.774 -4.814) 9.247 2.036 ( -0.142 -10.853 -0.633) 10.872 2.114 ( -0.003 -5.925 0.260) 5.931 2.229 ( 0.448 -48.731 0.843) 48.741 2.328 ( -1.643 2.278 -1.046) 2.997 2.390 ( 1.629 -4.163 6.855) 8.184 2.482 ( 0.921 -2.456 4.425) 5.143 2.587 ( 0.124 -39.664 0.352) 39.666 2.673 ( 0.162 -2.913 -3.716) 4.724 2.912 ( 0.731 -5.484 8.545) 10.180 3.311 ( 3.866 -48.824 4.822) 49.214 3.443 ( -0.733 0.973 -7.993) 8.085 4.265 ( -0.114 -3.545 0.026) 3.546 4.327 ( -0.041 -1.852 -0.392) 1.894 4.397 ( -0.103 -5.804 1.187) 5.925 4.560 ( 0.449 -2.863 -7.942) 8.454 4.726 ( 0.368 1.436 -1.075) 1.831 4.884 ( 0.899 2.060 0.127) 2.251 4.987 ( -3.065 3.545 -6.053) 7.655 5.169 ( -0.170 1.375 0.936) 1.672 5.216 ( -0.009 -3.649 -0.328) 3.663 5.244 ( -0.192 -3.653 1.126) 3.828 5.349 ( 0.239 1.804 -2.939) 3.456 5.484 ( -0.101 2.943 0.904) 3.080 5.521 ( 0.693 -0.024 1.698) 1.834 5.606 ( 1.138 1.816 -2.495) 3.289 5.683 ( 0.568 1.522 0.365) 1.665 6.031 ( 0.112 2.295 5.514) 5.974 6.060 ( -0.523 1.167 1.527) 1.992 6.372 ( -0.537 2.893 -5.419) 6.167 6.532 ( -0.482 2.715 -0.659) 2.835 6.615 ( -0.116 2.718 0.407) 2.751 6.779 ( -0.213 8.127 3.811) 8.979======================= Grid point 312 (137/219) =======================q-point: (-0.36 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( -3.290 -0.480 0.177) 3.329 0.802 ( -4.077 -5.587 2.543) 7.369 0.929 ( 0.717 -0.600 -0.743) 1.194 1.065 ( 2.005 -4.885 -0.423) 5.297 1.073 ( 1.023 -2.503 0.276) 2.718 1.148 ( 0.772 -4.267 -0.503) 4.365 1.157 ( 0.347 -7.434 -8.984) 11.666 1.380 ( -0.817 -9.659 -0.676) 9.717 1.491 ( 1.481 -6.719 1.900) 7.137 1.700 ( -0.413 -7.376 2.993) 7.971 1.763 ( -0.899 -19.511 -3.758) 19.890 1.911 ( -1.626 -16.347 1.433) 16.490 2.077 ( -0.981 -10.367 -2.949) 10.823 2.210 ( -2.084 -2.594 -0.004) 3.328 2.249 ( 1.214 -8.966 -1.425) 9.159 2.315 ( -0.173 -4.766 0.041) 4.769 2.415 ( -0.355 -4.820 2.965) 5.670 2.468 ( 1.145 -0.186 2.873) 3.099 2.666 ( -0.289 -2.094 -1.110) 2.387 2.866 ( 1.122 -2.329 9.814) 10.149 3.363 ( -1.606 -6.840 -7.210) 10.067 3.531 ( -0.008 -43.019 -0.021) 43.019 3.575 ( 1.745 -48.776 -1.809) 48.841 4.231 ( 2.597 -33.748 11.123) 35.628 4.327 ( 0.322 -4.391 0.391) 4.420 4.369 ( -0.449 -2.867 -0.933) 3.048 4.498 ( -0.760 -4.000 1.666) 4.399 4.655 ( 3.863 -9.191 -7.263) 12.335 4.690 ( 1.013 2.214 -0.328) 2.456 4.843 ( 0.741 2.412 -0.498) 2.572 4.888 ( -1.771 3.940 -4.645) 6.343 5.138 ( -0.102 1.637 0.276) 1.663 5.255 ( 0.176 3.539 -1.493) 3.845 5.291 ( -0.242 -4.069 -0.109) 4.078 5.355 ( -0.034 -3.791 -0.351) 3.807 5.410 ( -0.629 4.036 0.258) 4.093 5.526 ( -0.374 0.250 -0.066) 0.455 5.582 ( 1.402 0.018 -1.256) 1.882 5.654 ( 0.640 1.667 0.059) 1.786 5.984 ( -0.246 3.231 3.271) 4.604 6.034 ( -0.460 1.322 0.786) 1.606 6.305 ( -0.011 2.235 -2.977) 3.723 6.452 ( -0.828 5.887 1.261) 6.077 6.556 ( 0.146 3.365 0.739) 3.449 6.603 ( -0.612 8.952 0.817) 9.010======================= Grid point 313 (138/219) =======================q-point: (-0.29 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( 1.055 -6.551 -1.179) 6.740 0.876 ( -1.181 -2.974 0.839) 3.308 0.968 ( 0.671 -2.351 0.570) 2.510 1.120 ( 0.997 -2.279 1.058) 2.704 1.173 ( 1.303 -4.010 0.532) 4.250 1.224 ( 1.276 -4.215 0.573) 4.441 1.313 ( -0.770 -10.644 -5.324) 11.926 1.530 ( -1.532 -6.268 0.706) 6.491 1.622 ( 0.524 -6.367 1.439) 6.549 1.785 ( -0.857 -2.889 -1.058) 3.194 2.042 ( -0.757 -9.901 -2.347) 10.204 2.158 ( -0.481 -4.083 1.707) 4.451 2.194 ( -1.434 -0.018 -2.182) 2.611 2.211 ( -0.680 -6.448 2.897) 7.102 2.336 ( 0.444 -3.268 -4.008) 5.191 2.482 ( -0.924 -5.776 -0.748) 5.897 2.528 ( 2.328 -9.666 1.555) 10.063 2.588 ( -1.349 -9.692 3.200) 10.295 2.730 ( 0.986 -5.588 -1.756) 5.940 2.917 ( 1.928 -1.025 8.066) 8.356 3.345 ( -1.229 0.462 -6.489) 6.620 4.175 ( -0.463 -19.716 0.332) 19.724 4.318 ( 0.305 -18.336 -1.475) 18.398 4.363 ( -0.482 -2.380 0.486) 2.476 4.474 ( -0.694 -13.945 0.156) 13.963 4.515 ( -0.606 -0.529 0.438) 0.916 4.611 ( -0.334 -4.646 0.834) 4.732 4.644 ( 0.621 1.624 0.892) 1.955 4.800 ( 0.045 0.940 -1.079) 1.432 4.820 ( 0.543 -0.588 -1.030) 1.305 4.919 ( 1.682 -6.253 3.060) 7.162 5.108 ( -1.563 2.504 -0.415) 2.981 5.231 ( 3.105 -3.758 -1.647) 5.145 5.331 ( -0.823 1.100 -0.938) 1.664 5.413 ( -0.237 -7.398 -0.176) 7.404 5.429 ( -0.987 -3.066 -0.210) 3.227 5.521 ( 0.316 -1.749 -1.042) 2.061 5.610 ( 0.169 -1.152 -0.203) 1.182 5.636 ( 0.941 -0.579 -0.910) 1.431 5.940 ( -0.441 1.002 2.110) 2.377 6.027 ( 0.439 -0.858 0.034) 0.964 6.281 ( -0.416 4.629 0.925) 4.739 6.303 ( 0.269 4.246 0.090) 4.255 6.486 ( -0.089 3.397 -0.030) 3.398 6.502 ( -0.096 2.559 0.227) 2.570======================= Grid point 314 (139/219) =======================q-point: (-0.21 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( 0.209 -3.109 -0.363) 3.137 0.937 ( 1.440 -4.729 0.190) 4.947 1.027 ( 1.949 -5.519 -0.434) 5.869 1.166 ( 0.602 -1.974 0.949) 2.272 1.227 ( 0.266 -1.521 0.131) 1.549 1.322 ( 0.942 -4.554 0.673) 4.699 1.505 ( -0.421 -10.015 -0.941) 10.068 1.612 ( -2.848 -3.866 0.980) 4.901 1.744 ( 0.145 -5.871 1.467) 6.054 1.814 ( -0.445 -1.054 -2.761) 2.989 2.101 ( 0.618 2.021 1.547) 2.619 2.126 ( 0.520 3.147 -0.669) 3.259 2.220 ( -1.067 -1.467 -1.621) 2.433 2.276 ( 0.160 -0.250 2.403) 2.422 2.400 ( 0.734 -3.348 -4.957) 6.027 2.613 ( -0.282 -8.930 -0.512) 8.949 2.678 ( 0.492 -2.398 0.798) 2.574 2.773 ( 0.711 -10.218 4.078) 11.024 2.877 ( 1.141 -8.423 -2.096) 8.755 2.963 ( 2.014 -1.292 4.071) 4.722 3.324 ( -0.936 -0.154 -4.166) 4.272 4.370 ( -0.285 -4.480 0.026) 4.489 4.411 ( -1.034 -2.737 0.863) 3.050 4.445 ( -0.030 -3.543 -0.132) 3.546 4.495 ( -0.043 1.473 0.070) 1.476 4.564 ( 0.383 3.265 -0.440) 3.317 4.593 ( -0.175 3.149 -0.561) 3.203 4.701 ( 0.890 -2.276 -0.841) 2.584 4.819 ( -0.972 -1.038 0.729) 1.598 4.859 ( -0.056 -0.124 0.392) 0.415 5.007 ( -0.684 -3.366 2.506) 4.252 5.081 ( -0.869 -3.222 -2.894) 4.417 5.268 ( -0.399 0.755 2.742) 2.872 5.349 ( 0.552 -1.736 -2.469) 3.068 5.430 ( -2.041 1.014 -0.156) 2.284 5.522 ( -0.494 -3.268 0.446) 3.335 5.559 ( 0.206 0.107 -1.271) 1.292 5.674 ( 0.850 -2.025 1.813) 2.848 5.691 ( -0.163 -7.131 -2.602) 7.592 5.968 ( 0.131 -2.361 1.933) 3.054 6.066 ( 1.128 -2.384 -0.020) 2.638 6.127 ( -0.119 6.506 -0.064) 6.507 6.313 ( 0.399 0.012 0.616) 0.734 6.445 ( 0.055 1.073 -0.122) 1.081 6.471 ( -0.015 0.523 0.124) 0.538======================= Grid point 315 (140/219) =======================q-point: (-0.14 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -0.352 0.102 -0.499) 0.619 0.962 ( -1.573 0.652 0.405) 1.750 1.182 ( 2.056 -2.067 0.296) 2.930 1.230 ( 0.282 -1.955 0.034) 1.976 1.260 ( 2.049 -7.686 0.371) 7.963 1.395 ( -0.849 -3.496 -0.418) 3.622 1.659 ( -1.309 -4.229 1.582) 4.701 1.671 ( -0.886 -4.925 -0.259) 5.011 1.813 ( 0.284 0.072 -0.880) 0.927 1.845 ( -0.164 -4.026 0.583) 4.071 2.037 ( 2.035 3.739 1.969) 4.691 2.090 ( 0.817 1.938 -1.570) 2.624 2.190 ( 0.067 2.835 -0.888) 2.971 2.282 ( -0.076 0.005 0.920) 0.923 2.467 ( 1.458 -4.153 -2.464) 5.044 2.674 ( 0.175 1.684 0.044) 1.694 2.771 ( 0.892 -6.420 -0.507) 6.501 2.946 ( 1.770 -5.242 5.486) 7.792 3.005 ( 0.696 -3.251 -3.273) 4.665 3.020 ( 0.064 -6.118 -0.248) 6.123 3.325 ( -0.333 -0.927 -1.374) 1.690 4.388 ( -0.327 1.523 -0.443) 1.619 4.423 ( -0.936 3.779 1.035) 4.029 4.461 ( -1.798 -1.373 -0.384) 2.295 4.501 ( -0.045 -2.501 0.544) 2.560 4.544 ( 0.739 -0.981 0.580) 1.358 4.580 ( 1.403 -2.019 -1.137) 2.709 4.721 ( 0.815 -0.505 -1.008) 1.391 4.819 ( -0.514 0.329 1.075) 1.236 4.843 ( -0.313 0.582 0.161) 0.680 5.045 ( -0.331 -2.139 1.329) 2.540 5.128 ( -0.754 -0.110 -1.888) 2.036 5.251 ( -0.810 1.059 2.093) 2.482 5.344 ( 0.451 1.991 -3.252) 3.840 5.409 ( -2.009 -0.519 0.469) 2.128 5.538 ( -0.581 -0.209 -0.250) 0.666 5.571 ( -0.206 -0.643 0.432) 0.801 5.704 ( 0.062 -0.737 2.056) 2.185 5.772 ( -0.329 -1.344 -1.653) 2.155 5.962 ( 0.085 2.913 0.712) 3.000 6.062 ( 0.300 1.902 -0.259) 1.942 6.112 ( 0.999 -1.631 0.011) 1.912 6.290 ( -0.262 2.186 0.445) 2.246 6.440 ( 0.185 -0.215 -0.028) 0.285 6.472 ( 0.062 -0.088 -0.023) 0.110======================= Grid point 316 (141/219) =======================q-point: (-0.07 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( -0.551 0.882 0.032) 1.041 0.933 ( -1.074 1.316 -0.103) 1.702 1.196 ( 0.505 0.339 0.292) 0.674 1.216 ( -0.488 1.140 -0.144) 1.248 1.411 ( -0.992 -4.079 -0.547) 4.233 1.487 ( 0.337 -6.804 -0.235) 6.816 1.690 ( 0.097 1.227 1.241) 1.748 1.722 ( 0.530 -1.711 -1.042) 2.072 1.852 ( 1.136 -3.354 3.135) 4.729 1.874 ( -0.202 1.552 -0.523) 1.650 2.007 ( 1.048 0.652 1.220) 1.735 2.054 ( 0.492 1.344 -0.790) 1.635 2.143 ( 0.110 1.571 -0.598) 1.685 2.285 ( 0.206 -0.154 -0.070) 0.267 2.540 ( 1.648 -2.193 -0.083) 2.745 2.637 ( -0.099 1.537 -0.644) 1.670 2.862 ( 0.722 -3.125 -1.011) 3.363 3.003 ( 0.765 -0.892 -0.369) 1.232 3.074 ( 0.226 -2.342 0.195) 2.361 3.120 ( -0.382 -4.655 -0.534) 4.701 3.346 ( 0.115 -1.291 0.371) 1.348 4.349 ( -0.281 1.941 -0.004) 1.961 4.358 ( -0.268 2.013 -0.008) 2.031 4.484 ( -1.473 -1.792 0.088) 2.322 4.526 ( -0.582 -0.732 0.257) 0.970 4.604 ( 1.302 -2.891 1.407) 3.469 4.625 ( 0.856 -1.844 -1.123) 2.323 4.730 ( 0.496 -0.259 -0.353) 0.662 4.809 ( -0.147 0.731 0.470) 0.882 4.858 ( 0.039 -2.280 -0.026) 2.281 5.056 ( -0.857 3.763 0.556) 3.899 5.114 ( -0.442 -2.413 -0.926) 2.622 5.238 ( 0.049 0.372 2.110) 2.143 5.285 ( 0.210 3.040 -3.172) 4.398 5.425 ( -2.073 -1.913 -0.328) 2.840 5.538 ( 0.348 0.573 1.033) 1.231 5.587 ( -0.095 -1.919 -0.575) 2.005 5.703 ( -0.171 2.235 4.175) 4.739 5.747 ( -0.145 2.438 -3.101) 3.947 5.912 ( 0.063 1.727 0.021) 1.728 6.013 ( 0.336 2.756 -0.049) 2.777 6.138 ( 0.512 -0.762 -0.064) 0.921 6.246 ( -0.499 2.027 0.145) 2.092 6.448 ( 0.146 -0.523 0.059) 0.546 6.467 ( -0.024 0.579 -0.128) 0.594======================= Grid point 325 (142/219) =======================q-point: (-0.43 -0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.379 ( 1.033 0.000 -0.616) 1.203 0.581 ( -8.161 -0.000 -9.177) 12.281 0.776 ( -6.162 -0.000 -3.501) 7.087 0.801 ( -3.572 -0.000 6.244) 7.193 0.981 ( 3.479 0.000 2.052) 4.039 0.983 ( -0.573 -0.000 -6.209) 6.235 1.029 ( -2.403 -0.000 -0.319) 2.424 1.069 ( -0.579 -0.000 -0.308) 0.656 1.121 ( 1.838 0.000 2.324) 2.963 1.157 ( -1.161 -0.000 -6.793) 6.891 1.357 ( 5.535 0.000 0.248) 5.541 1.543 ( -0.635 -0.000 -0.640) 0.902 1.655 ( 0.879 0.000 10.506) 10.542 1.884 ( -1.965 -0.000 -4.264) 4.695 1.944 ( 0.034 0.000 -0.376) 0.378 2.044 ( 0.135 0.000 0.090) 0.162 2.177 ( -0.215 -0.000 -0.107) 0.240 2.364 ( -1.017 -0.000 -3.320) 3.472 2.402 ( 1.572 0.000 6.373) 6.564 2.554 ( 0.472 0.000 0.508) 0.693 2.623 ( -0.222 -0.000 0.161) 0.274 2.659 ( -0.597 -0.000 -3.419) 3.471 2.943 ( 1.625 0.000 10.558) 10.682 3.434 ( -0.915 -0.000 -8.823) 8.870 4.217 ( 0.058 0.000 -0.036) 0.068 4.309 ( 0.069 0.000 -0.012) 0.070 4.334 ( 0.186 0.000 0.036) 0.190 4.516 ( -0.184 -0.000 -8.026) 8.028 4.739 ( 0.602 0.000 -1.548) 1.661 4.915 ( 1.001 0.000 1.723) 1.992 4.996 ( -3.213 -0.000 -6.364) 7.129 5.176 ( 0.171 0.000 -0.047) 0.177 5.184 ( -0.460 -0.000 1.241) 1.323 5.199 ( 0.124 0.000 0.057) 0.137 5.364 ( 0.162 0.000 -2.268) 2.273 5.514 ( 0.061 0.000 1.188) 1.190 5.533 ( 0.887 0.000 1.609) 1.837 5.628 ( 1.896 0.000 -2.903) 3.467 5.703 ( 0.687 0.000 0.352) 0.772 6.065 ( -0.371 -0.000 5.151) 5.164 6.076 ( -0.202 -0.000 2.513) 2.522 6.385 ( -0.984 -0.000 -5.620) 5.706 6.554 ( -0.329 -0.000 -1.126) 1.173 6.641 ( -0.388 -0.000 0.177) 0.426 6.873 ( -0.353 -0.000 4.441) 4.455======================= Grid point 326 (143/219) =======================q-point: (-0.36 -0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( -6.723 -7.515 -3.203) 10.580 0.726 ( -8.099 0.323 4.312) 9.181 0.908 ( -1.226 -3.838 -0.456) 4.054 0.992 ( -0.330 -6.472 -2.933) 7.114 1.015 ( 1.519 -5.972 -1.149) 6.268 1.025 ( 3.848 -8.465 -4.075) 10.152 1.059 ( 1.520 -1.112 0.165) 1.891 1.174 ( -4.538 -7.926 -3.259) 9.697 1.344 ( 0.702 -22.597 -2.181) 22.713 1.392 ( 4.138 -4.383 -0.290) 6.035 1.455 ( 0.145 -20.723 3.192) 20.968 1.671 ( -1.026 -6.525 4.799) 8.164 1.880 ( -2.359 -6.619 -4.160) 8.166 2.032 ( -0.122 -11.413 -0.544) 11.426 2.116 ( 0.086 -5.653 0.277) 5.660 2.237 ( -0.392 -39.163 1.748) 39.204 2.310 ( -0.500 -5.853 -2.051) 6.222 2.431 ( 1.322 -5.242 5.295) 7.568 2.506 ( 0.578 -2.681 3.108) 4.145 2.591 ( 0.340 -40.082 0.284) 40.085 2.653 ( -0.877 -3.304 -3.938) 5.215 2.966 ( 1.888 -5.347 9.743) 11.273 3.383 ( 3.140 -32.044 -1.377) 32.227 3.406 ( 4.467 -19.632 -2.679) 20.311 4.264 ( -0.119 -3.426 0.193) 3.434 4.325 ( -0.037 -1.531 -0.257) 1.552 4.400 ( -0.409 -5.652 1.263) 5.806 4.532 ( 1.221 -4.048 -9.091) 10.026 4.728 ( 0.843 1.233 -1.088) 1.848 4.897 ( 0.880 2.461 1.594) 3.062 4.936 ( -2.042 2.854 -5.126) 6.212 5.170 ( -0.486 1.418 1.028) 1.818 5.215 ( -0.014 -3.484 -0.272) 3.495 5.247 ( -0.167 -3.961 0.928) 4.071 5.338 ( -0.013 2.094 -2.642) 3.371 5.488 ( 0.050 3.122 0.944) 3.262 5.532 ( 0.492 0.533 0.834) 1.105 5.611 ( 1.999 1.822 -2.376) 3.600 5.691 ( 0.776 1.569 0.064) 1.751 6.053 ( -0.325 2.632 4.752) 5.442 6.060 ( -0.577 1.337 1.342) 1.981 6.342 ( -0.912 2.387 -4.675) 5.328 6.525 ( -0.461 2.552 -0.094) 2.596 6.615 ( -0.198 2.450 0.372) 2.486 6.787 ( -1.245 8.779 2.951) 9.345======================= Grid point 327 (144/219) =======================q-point: (-0.29 -0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( -3.192 -2.702 1.258) 4.367 0.775 ( -3.966 -7.343 3.448) 9.029 0.935 ( 0.748 -1.651 0.392) 1.854 1.074 ( 0.676 -6.494 -3.540) 7.427 1.087 ( 1.476 -2.015 1.072) 2.718 1.139 ( 2.573 -3.970 -3.823) 6.082 1.159 ( 1.524 -5.319 -0.920) 5.609 1.365 ( -1.296 -10.889 -1.141) 11.025 1.513 ( 1.728 -6.053 0.919) 6.362 1.691 ( -2.213 -8.024 -0.178) 8.325 1.749 ( -0.406 -17.448 -0.292) 17.455 1.893 ( -2.615 -16.127 0.886) 16.361 2.057 ( -1.155 -12.220 -1.507) 12.366 2.185 ( -2.669 -1.801 -0.607) 3.276 2.254 ( 0.858 -7.993 -0.741) 8.073 2.317 ( 0.433 -6.877 0.415) 6.904 2.424 ( -0.098 -4.302 1.858) 4.687 2.487 ( 0.699 0.245 1.505) 1.677 2.650 ( -1.648 -2.679 -1.469) 3.471 2.919 ( 1.205 -2.959 8.514) 9.094 3.316 ( -1.701 -5.433 -6.183) 8.405 3.531 ( 0.162 -43.171 -0.007) 43.171 3.591 ( 2.793 -48.313 -1.342) 48.413 4.287 ( 0.608 -16.629 4.417) 17.216 4.346 ( 1.949 -13.322 4.294) 14.132 4.363 ( -0.030 -3.409 -0.183) 3.414 4.489 ( -1.986 -4.593 0.962) 5.096 4.683 ( 6.248 -9.045 -3.814) 11.636 4.700 ( 3.394 -2.595 -3.915) 5.795 4.851 ( 0.515 2.381 -0.053) 2.437 4.861 ( 0.054 3.592 -1.630) 3.945 5.137 ( -0.283 1.636 0.219) 1.675 5.246 ( -0.305 4.066 -2.028) 4.554 5.290 ( -0.152 -4.406 0.165) 4.412 5.351 ( -0.256 -4.254 -0.698) 4.319 5.407 ( -0.534 4.881 0.823) 4.979 5.523 ( -0.130 0.772 0.038) 0.784 5.592 ( 1.642 0.046 -1.188) 2.028 5.660 ( 0.729 1.798 -0.410) 1.983 5.993 ( -0.580 3.698 2.464) 4.481 6.033 ( -0.302 1.200 0.755) 1.449 6.293 ( -0.102 1.147 -2.136) 2.427 6.449 ( -0.950 5.847 1.363) 6.079 6.559 ( -0.127 3.231 0.292) 3.247 6.596 ( -1.294 8.992 0.532) 9.100======================= Grid point 328 (145/219) =======================q-point: (-0.21 -0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.775 ( 3.400 -7.992 1.517) 8.816 0.870 ( -0.874 -3.548 1.148) 3.830 0.974 ( 0.147 -1.875 0.158) 1.887 1.136 ( 1.390 -2.149 0.689) 2.651 1.190 ( 1.384 -3.254 0.817) 3.629 1.231 ( 0.998 -5.509 -2.134) 5.991 1.298 ( 0.501 -10.276 -0.972) 10.334 1.514 ( -2.219 -5.745 0.377) 6.170 1.631 ( 0.412 -5.976 0.603) 6.020 1.769 ( -1.312 -2.984 -1.185) 3.468 2.026 ( -1.092 -10.702 -1.066) 10.811 2.145 ( -2.389 -5.896 -0.146) 6.363 2.181 ( -0.111 0.163 -0.462) 0.502 2.218 ( -0.685 -7.080 3.514) 7.934 2.319 ( 0.002 -2.834 -4.737) 5.520 2.470 ( -0.748 -4.919 -0.685) 5.023 2.558 ( 2.392 -10.144 1.363) 10.511 2.590 ( -0.687 -9.110 2.472) 9.464 2.728 ( 0.185 -6.734 -1.979) 7.021 2.968 ( 2.087 -0.717 5.191) 5.641 3.308 ( -1.191 -0.026 -4.246) 4.410 4.171 ( -0.695 -19.571 0.303) 19.585 4.319 ( 0.667 -16.172 -0.435) 16.192 4.363 ( 0.045 -3.976 0.888) 4.074 4.466 ( -0.935 -13.813 -0.051) 13.845 4.507 ( -0.963 -1.449 -0.354) 1.775 4.604 ( -1.017 -4.428 -0.416) 4.562 4.652 ( 0.451 1.397 0.460) 1.538 4.797 ( 0.104 1.189 -0.455) 1.278 4.820 ( 0.428 -0.267 -0.904) 1.035 4.953 ( 1.927 -2.974 3.002) 4.645 5.088 ( -2.034 3.526 -0.419) 4.092 5.265 ( 4.614 -5.623 -0.682) 7.306 5.316 ( -1.301 2.405 -0.729) 2.830 5.405 ( -1.058 -5.607 -0.452) 5.724 5.421 ( -0.527 -3.857 -0.008) 3.893 5.524 ( 1.239 -2.727 -0.889) 3.124 5.612 ( 0.195 -0.172 -0.128) 0.290 5.642 ( 0.961 -1.005 -0.794) 1.601 5.945 ( -0.227 0.729 1.728) 1.890 6.033 ( 0.842 -1.189 0.083) 1.460 6.279 ( -0.799 5.844 1.055) 5.992 6.305 ( 0.256 2.380 -0.506) 2.447 6.484 ( -0.184 3.188 -0.153) 3.197 6.501 ( -0.196 2.539 0.187) 2.553======================= Grid point 329 (146/219) =======================q-point: (-0.14 -0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 0.220 -1.482 0.002) 1.499 0.948 ( 0.111 -2.208 0.774) 2.342 1.061 ( 4.844 -9.248 0.544) 10.454 1.178 ( 0.884 -1.497 0.744) 1.891 1.231 ( 0.428 -0.939 0.277) 1.068 1.327 ( 0.308 -3.970 -1.033) 4.114 1.506 ( 0.242 -10.350 1.360) 10.442 1.584 ( -3.563 -3.796 0.608) 5.241 1.746 ( -0.230 -5.809 -1.126) 5.921 1.803 ( -0.235 -1.362 -0.210) 1.398 2.113 ( 0.705 -0.258 0.728) 1.046 2.129 ( 0.610 3.968 -0.151) 4.017 2.205 ( -0.971 -1.799 -0.254) 2.060 2.284 ( -0.272 -0.313 1.103) 1.178 2.388 ( 0.811 -4.091 -3.548) 5.476 2.608 ( -0.130 -9.675 -0.343) 9.682 2.683 ( 0.262 -2.145 -0.105) 2.164 2.802 ( 1.415 -10.865 3.742) 11.578 2.876 ( 0.780 -7.844 -2.998) 8.434 2.995 ( 1.875 -0.368 1.003) 2.158 3.305 ( -0.534 -0.715 -0.811) 1.205 4.366 ( -0.759 -4.729 0.368) 4.804 4.399 ( -1.571 -2.688 0.319) 3.130 4.450 ( 0.689 -2.702 0.568) 2.845 4.494 ( -0.033 1.533 -0.019) 1.533 4.566 ( 0.326 2.968 -0.440) 3.018 4.590 ( 0.200 2.276 -0.783) 2.415 4.707 ( 0.817 -2.044 -0.491) 2.255 4.812 ( -0.987 -1.213 0.559) 1.661 4.857 ( -0.447 -0.146 -0.091) 0.479 5.011 ( -0.733 -2.576 2.592) 3.727 5.060 ( -1.008 -4.029 -2.361) 4.777 5.266 ( -1.609 1.084 0.851) 2.118 5.354 ( 1.709 -1.061 -0.533) 2.081 5.410 ( -2.162 1.109 0.644) 2.514 5.517 ( -0.789 -4.110 0.027) 4.185 5.554 ( -0.018 1.024 -1.298) 1.653 5.666 ( -0.150 -3.714 -3.838) 5.343 5.706 ( 1.264 -4.726 3.247) 5.871 5.976 ( 0.195 -2.254 0.970) 2.462 6.077 ( 1.280 -2.341 -0.306) 2.685 6.129 ( 0.156 6.276 0.853) 6.336 6.315 ( 0.032 0.166 -0.533) 0.560 6.446 ( 0.129 1.010 0.088) 1.022 6.472 ( -0.020 0.422 0.052) 0.426======================= Grid point 330 (147/219) =======================q-point: (-0.07 -0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( -0.369 0.212 -0.392) 0.578 0.947 ( -1.786 0.784 0.248) 1.966 1.199 ( 0.859 -0.515 0.614) 1.175 1.233 ( 0.211 0.595 0.008) 0.632 1.294 ( 4.089 -9.326 1.048) 10.236 1.383 ( -0.821 -3.301 -0.805) 3.496 1.638 ( -2.953 -3.634 0.037) 4.682 1.673 ( 0.196 -6.053 0.916) 6.125 1.812 ( 0.737 -1.965 -1.686) 2.692 1.851 ( -0.007 -3.247 2.276) 3.965 2.061 ( 1.283 3.453 1.160) 3.862 2.097 ( 1.531 2.366 -0.481) 2.859 2.187 ( -0.012 2.434 -0.760) 2.550 2.283 ( -0.299 0.039 0.093) 0.315 2.477 ( 1.822 -4.788 -0.399) 5.139 2.676 ( 0.425 1.827 -0.468) 1.933 2.777 ( 0.762 -6.691 -0.499) 6.753 2.980 ( 1.038 -3.084 -1.765) 3.702 2.990 ( 0.773 -6.488 -0.341) 6.542 3.024 ( 0.238 -3.674 0.194) 3.686 3.324 ( 0.073 -1.220 1.352) 1.823 4.383 ( -0.320 1.780 -0.499) 1.876 4.419 ( -1.111 2.676 1.639) 3.329 4.439 ( -2.140 -0.557 -0.472) 2.261 4.504 ( 0.052 -1.984 0.445) 2.034 4.558 ( 1.422 -1.588 0.770) 2.266 4.589 ( 1.374 -2.114 -0.958) 2.697 4.725 ( 0.829 -0.477 -0.719) 1.197 4.817 ( -0.519 0.096 0.423) 0.677 4.838 ( -0.495 0.440 -0.328) 0.739 5.048 ( -0.230 -2.414 1.286) 2.745 5.112 ( -1.018 0.085 -1.308) 1.659 5.246 ( -1.300 0.489 0.519) 1.483 5.343 ( 1.095 2.634 -0.753) 2.950 5.390 ( -2.197 -0.532 0.483) 2.312 5.532 ( -0.546 -0.038 -0.240) 0.598 5.569 ( -0.396 -1.258 -0.084) 1.321 5.702 ( -0.503 -1.454 -1.906) 2.449 5.772 ( 0.197 -0.547 2.047) 2.128 5.964 ( 0.019 3.047 0.081) 3.048 6.065 ( 0.384 1.996 0.200) 2.042 6.122 ( 1.017 -1.343 0.038) 1.686 6.286 ( -0.426 2.204 -0.372) 2.276 6.442 ( 0.217 -0.207 0.004) 0.300 6.473 ( 0.074 -0.039 0.036) 0.091======================= Grid point 340 (148/219) =======================q-point: (-0.36 -0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.387 ( 1.306 0.000 -1.016) 1.655 0.468 ( -7.926 -0.000 -4.706) 9.218 0.688 ( -9.157 -0.000 -1.786) 9.329 0.780 ( -7.952 -0.000 8.097) 11.349 0.948 ( -1.703 -0.000 -4.016) 4.362 1.008 ( -1.515 -0.000 -0.832) 1.729 1.024 ( 3.395 0.000 1.964) 3.923 1.028 ( -3.412 -0.000 -6.056) 6.951 1.145 ( 1.454 0.000 1.445) 2.050 1.149 ( 3.370 0.000 -2.276) 4.066 1.415 ( 5.792 0.000 -1.248) 5.925 1.530 ( -1.345 -0.000 -0.551) 1.454 1.721 ( 1.987 0.000 11.363) 11.536 1.852 ( -1.117 -0.000 -1.053) 1.535 1.941 ( -0.256 -0.000 -0.544) 0.602 2.048 ( 0.389 0.000 0.192) 0.434 2.174 ( -0.281 -0.000 -0.002) 0.282 2.328 ( -1.825 -0.000 -7.060) 7.292 2.437 ( 0.980 0.000 3.886) 4.008 2.562 ( 0.117 0.000 1.293) 1.299 2.620 ( -0.369 -0.000 0.119) 0.388 2.632 ( -1.807 -0.000 -3.923) 4.319 3.004 ( 1.621 0.000 9.428) 9.567 3.383 ( -1.321 -0.000 -8.871) 8.969 4.218 ( 0.093 0.000 -0.042) 0.101 4.310 ( 0.113 0.000 -0.006) 0.114 4.337 ( 0.356 0.000 0.036) 0.358 4.476 ( -0.766 -0.000 -8.204) 8.240 4.742 ( 1.139 0.000 -1.095) 1.580 4.934 ( 0.252 0.000 2.528) 2.541 4.944 ( -1.778 -0.000 -4.274) 4.629 5.178 ( 0.294 0.000 -0.046) 0.298 5.184 ( -0.653 -0.000 1.437) 1.578 5.201 ( 0.231 0.000 0.053) 0.237 5.354 ( -0.257 -0.000 -2.521) 2.534 5.519 ( 0.015 0.000 0.940) 0.940 5.546 ( 0.855 0.000 1.085) 1.382 5.638 ( 2.687 0.000 -2.944) 3.985 5.711 ( 0.856 0.000 -0.084) 0.860 6.071 ( -0.805 -0.000 1.858) 2.025 6.092 ( -0.223 -0.000 4.216) 4.222 6.351 ( -1.317 -0.000 -4.477) 4.666 6.548 ( -0.255 -0.000 -0.240) 0.350 6.639 ( -0.319 -0.000 0.305) 0.442 6.883 ( -0.939 -0.000 3.268) 3.400======================= Grid point 341 (149/219) =======================q-point: (-0.29 -0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.530 ( -5.885 -9.884 1.662) 11.623 0.652 ( -10.294 -1.623 4.598) 11.390 0.902 ( -1.418 -4.897 2.103) 5.515 0.967 ( -0.970 -6.522 -4.143) 7.787 1.011 ( -0.605 -8.282 -2.011) 8.544 1.059 ( 1.493 -4.585 -0.081) 4.822 1.069 ( 1.553 -12.336 -2.979) 12.785 1.124 ( -0.418 -1.368 -1.409) 2.008 1.350 ( 1.636 -21.623 -0.791) 21.699 1.431 ( 4.326 -2.647 -1.687) 5.345 1.469 ( 0.168 -20.021 2.749) 20.209 1.675 ( -1.832 -4.870 3.341) 6.184 1.841 ( -2.618 -6.385 -2.037) 7.195 2.029 ( -0.171 -11.202 -0.440) 11.212 2.118 ( 0.126 -5.706 0.231) 5.712 2.231 ( -2.629 -15.306 2.563) 15.740 2.305 ( 1.699 -25.220 -2.693) 25.420 2.465 ( 1.558 -8.699 4.320) 9.837 2.519 ( 0.035 -2.334 1.309) 2.676 2.597 ( 0.495 -39.748 0.335) 39.752 2.620 ( -2.099 -4.546 -4.401) 6.666 3.030 ( 2.780 -5.037 8.354) 10.143 3.343 ( -1.449 -1.290 -7.296) 7.549 3.535 ( 16.183 -55.887 2.831) 58.252 4.265 ( 0.095 -3.407 0.641) 3.468 4.324 ( 0.016 -1.331 -0.115) 1.336 4.401 ( -0.825 -4.812 2.298) 5.396 4.502 ( 1.304 -6.463 -10.381) 12.298 4.734 ( 1.159 1.268 -0.784) 1.889 4.896 ( -0.997 2.342 -3.061) 3.981 4.922 ( 0.784 2.342 3.163) 4.013 5.169 ( -0.715 1.493 0.967) 1.917 5.214 ( 0.015 -3.217 -0.159) 3.221 5.249 ( -0.124 -3.968 0.823) 4.055 5.324 ( -0.418 2.201 -2.952) 3.706 5.492 ( -0.024 3.210 0.914) 3.338 5.540 ( 0.643 1.011 0.699) 1.388 5.623 ( 2.384 1.926 -2.506) 3.959 5.698 ( 0.852 1.633 -0.463) 1.899 6.058 ( -0.883 1.288 1.546) 2.197 6.066 ( -0.439 3.106 2.648) 4.105 6.316 ( -0.969 1.760 -2.883) 3.514 6.522 ( -0.350 2.511 0.595) 2.604 6.614 ( -0.264 2.377 0.195) 2.400 6.780 ( -2.330 9.525 1.865) 9.982======================= Grid point 342 (150/219) =======================q-point: (-0.21 -0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.649 ( -2.188 -6.291 3.208) 7.393 0.756 ( -3.569 -8.885 5.105) 10.851 0.945 ( 0.388 -1.693 0.942) 1.976 1.058 ( 0.287 -6.926 -4.635) 8.338 1.107 ( 1.548 -2.540 0.977) 3.131 1.158 ( 2.214 -3.790 -0.209) 4.394 1.170 ( 1.563 -4.589 -1.337) 5.029 1.351 ( -0.104 -11.839 -1.369) 11.918 1.532 ( 1.927 -5.297 -0.502) 5.659 1.667 ( -2.277 -8.951 -0.092) 9.236 1.740 ( -2.107 -14.247 0.701) 14.419 1.874 ( -1.740 -16.736 0.805) 16.845 2.040 ( -1.180 -13.378 -0.912) 13.460 2.154 ( -3.176 -1.550 -0.391) 3.556 2.260 ( 0.563 -7.233 0.265) 7.260 2.328 ( 1.166 -7.988 0.690) 8.102 2.429 ( -0.012 -4.780 0.665) 4.826 2.493 ( 0.096 0.488 -0.265) 0.564 2.623 ( -2.502 -3.347 -1.247) 4.361 2.957 ( 0.713 -3.975 3.394) 5.275 3.281 ( -1.381 -4.060 -2.394) 4.912 3.534 ( 0.272 -42.980 0.128) 42.981 3.618 ( 3.358 -47.785 -0.609) 47.907 4.293 ( -0.403 -6.862 0.340) 6.882 4.358 ( -0.145 -3.292 0.090) 3.297 4.386 ( 1.619 -11.622 0.180) 11.736 4.477 ( -1.769 -5.182 3.319) 6.403 4.701 ( 0.807 2.269 -0.948) 2.588 4.754 ( 9.384 -15.079 -6.486) 18.907 4.846 ( 0.633 1.956 -1.158) 2.359 4.892 ( 3.777 0.469 5.313) 6.536 5.134 ( -0.302 1.566 0.110) 1.599 5.234 ( -0.164 3.236 -2.443) 4.058 5.289 ( -0.079 -4.387 0.028) 4.388 5.344 ( -0.248 -3.773 -1.046) 3.923 5.407 ( -0.310 5.033 1.420) 5.239 5.524 ( 0.212 0.987 0.471) 1.114 5.603 ( 1.702 0.142 -1.275) 2.132 5.664 ( 0.602 1.990 -0.887) 2.260 5.995 ( -0.672 3.789 1.219) 4.036 6.035 ( -0.100 0.872 0.824) 1.203 6.285 ( -0.062 0.416 -1.104) 1.182 6.445 ( -1.224 6.201 1.540) 6.506 6.556 ( -0.409 3.379 -0.293) 3.416 6.583 ( -1.757 8.047 0.244) 8.240======================= Grid point 343 (151/219) =======================q-point: (-0.14 -0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( 3.739 -8.914 3.483) 10.275 0.870 ( -0.070 -4.504 1.409) 4.720 0.973 ( -0.414 -1.601 -0.193) 1.665 1.150 ( 1.106 -2.438 -0.169) 2.682 1.206 ( 0.961 -3.979 0.992) 4.211 1.234 ( 2.085 -4.681 -2.653) 5.771 1.308 ( 0.830 -9.882 2.077) 10.132 1.491 ( -2.545 -4.775 0.204) 5.414 1.632 ( 0.172 -5.370 -1.761) 5.654 1.754 ( -1.223 -3.485 0.537) 3.732 2.011 ( -1.686 -12.145 0.495) 12.272 2.122 ( -1.793 -4.745 -0.266) 5.079 2.179 ( -0.193 -2.952 -0.477) 2.997 2.225 ( -0.738 -6.848 2.230) 7.239 2.298 ( -0.208 -2.388 -3.387) 4.149 2.462 ( -0.250 -4.103 -0.629) 4.159 2.585 ( 1.964 -10.017 0.362) 10.214 2.598 ( 0.267 -9.488 2.649) 9.854 2.716 ( -0.745 -7.897 -2.409) 8.290 2.996 ( 1.457 -0.703 -0.918) 1.860 3.290 ( -0.705 -0.539 0.785) 1.185 4.165 ( -0.832 -19.355 0.191) 19.374 4.324 ( 0.294 -10.799 0.275) 10.807 4.373 ( 0.846 -8.256 1.360) 8.410 4.457 ( -0.859 -13.834 -0.065) 13.861 4.493 ( -1.120 -2.941 -1.232) 3.380 4.592 ( -0.858 -4.841 -0.841) 4.988 4.657 ( 0.311 1.437 -0.002) 1.470 4.797 ( 0.063 1.662 0.239) 1.680 4.821 ( 0.457 0.044 -0.419) 0.621 4.978 ( 0.941 0.291 1.898) 2.138 5.067 ( -2.079 3.884 0.353) 4.419 5.298 ( -0.672 1.306 -2.080) 2.546 5.313 ( 3.819 -3.571 1.550) 5.453 5.391 ( -1.325 -3.997 -0.520) 4.243 5.417 ( -0.328 -3.618 -0.102) 3.634 5.538 ( 2.462 -3.346 -1.443) 4.398 5.613 ( 0.059 1.055 -0.053) 1.057 5.649 ( 1.051 -2.210 -0.112) 2.450 5.949 ( -0.121 0.361 0.697) 0.794 6.044 ( 1.194 -1.497 0.228) 1.928 6.275 ( -1.027 6.460 1.268) 6.663 6.304 ( 0.206 1.175 -0.958) 1.530 6.481 ( -0.182 2.731 -0.255) 2.749 6.500 ( -0.283 2.546 0.154) 2.567======================= Grid point 344 (152/219) =======================q-point: (-0.07 -0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 0.174 -0.754 0.182) 0.795 0.946 ( -0.886 -0.157 0.459) 1.010 1.119 ( 5.304 -11.508 1.625) 12.775 1.188 ( 0.675 -1.215 0.338) 1.431 1.242 ( 1.621 -0.216 0.780) 1.812 1.323 ( 0.351 -3.393 -1.461) 3.711 1.518 ( 0.331 -10.146 2.725) 10.510 1.548 ( -4.091 -3.742 0.512) 5.567 1.728 ( -0.532 -5.341 -4.391) 6.935 1.809 ( 0.152 -2.488 2.922) 3.841 2.120 ( 0.339 0.131 0.497) 0.616 2.136 ( 0.617 1.635 0.130) 1.752 2.199 ( -0.375 -1.300 0.564) 1.465 2.278 ( -0.831 -0.726 -1.598) 1.942 2.388 ( 1.051 -5.060 -0.142) 5.170 2.607 ( 0.156 -10.049 -0.169) 10.052 2.683 ( 0.230 -2.100 -0.779) 2.252 2.831 ( 1.628 -10.794 2.515) 11.202 2.866 ( 0.135 -7.489 -3.376) 8.216 3.006 ( 1.350 -0.291 -3.028) 3.328 3.308 ( -0.000 -0.983 3.397) 3.536 4.357 ( -1.786 -4.732 0.922) 5.141 4.388 ( -0.709 -2.511 -0.008) 2.609 4.460 ( 0.601 -1.814 0.774) 2.062 4.494 ( 0.112 1.172 -0.049) 1.179 4.568 ( 0.530 2.315 -0.161) 2.381 4.589 ( 0.372 1.688 -0.990) 1.991 4.713 ( 0.643 -1.969 -0.232) 2.084 4.805 ( -0.788 -1.273 0.355) 1.538 4.850 ( -0.717 -0.042 -0.418) 0.831 5.016 ( -0.600 -1.822 2.708) 3.318 5.041 ( -0.955 -4.821 -1.654) 5.186 5.249 ( -1.780 0.933 -0.299) 2.032 5.371 ( 1.019 -0.140 0.600) 1.191 5.395 ( -1.358 1.190 1.141) 2.136 5.507 ( -0.985 -4.782 -0.634) 4.924 5.549 ( 0.022 1.861 -0.818) 2.032 5.648 ( 0.206 -3.345 -4.289) 5.443 5.732 ( 0.995 -4.131 3.331) 5.399 5.979 ( 0.032 -1.990 -0.491) 2.050 6.088 ( 1.211 -1.678 -0.424) 2.113 6.137 ( 0.289 5.308 1.770) 5.602 6.311 ( -0.036 0.396 -1.245) 1.307 6.449 ( 0.162 0.940 0.275) 0.993 6.471 ( -0.009 0.265 -0.004) 0.265======================= Grid point 355 (153/219) =======================q-point: (-0.29 -0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.393 ( 0.842 0.000 -1.620) 1.826 0.394 ( -7.385 -0.000 6.189) 9.635 0.585 ( -10.872 -0.000 0.818) 10.903 0.701 ( -14.395 -0.000 7.162) 16.078 0.923 ( -1.356 -0.000 -0.526) 1.454 0.978 ( -0.874 -0.000 -6.746) 6.803 0.991 ( -0.981 -0.000 -1.243) 1.584 1.064 ( 3.162 0.000 1.046) 3.331 1.162 ( 0.955 0.000 0.935) 1.337 1.184 ( 4.913 0.000 -1.383) 5.104 1.456 ( 4.851 0.000 -3.661) 6.078 1.512 ( -1.831 -0.000 -0.428) 1.881 1.759 ( -1.998 -0.000 4.924) 5.314 1.891 ( 5.692 0.000 9.862) 11.387 1.935 ( -0.419 -0.000 -0.485) 0.641 2.053 ( 0.499 0.000 0.170) 0.527 2.171 ( -0.279 -0.000 0.135) 0.310 2.262 ( -3.672 -0.000 -10.892) 11.495 2.455 ( 0.453 0.000 1.136) 1.223 2.565 ( -0.984 -0.000 1.708) 1.971 2.591 ( -2.667 -0.000 -3.814) 4.653 2.617 ( -0.440 -0.000 0.063) 0.445 3.052 ( 1.253 0.000 4.940) 5.096 3.336 ( -1.222 -0.000 -5.945) 6.069 4.218 ( 0.115 0.000 -0.049) 0.125 4.311 ( 0.142 0.000 0.007) 0.142 4.341 ( 0.444 0.000 0.032) 0.445 4.431 ( -1.945 -0.000 -5.468) 5.804 4.751 ( 1.385 0.000 -0.649) 1.529 4.906 ( -1.154 -0.000 -3.522) 3.706 4.961 ( 0.486 0.000 5.848) 5.868 5.181 ( 0.362 0.000 -0.038) 0.364 5.183 ( -0.774 -0.000 1.384) 1.585 5.204 ( 0.285 0.000 0.040) 0.287 5.337 ( -0.744 -0.000 -2.885) 2.980 5.521 ( -0.119 -0.000 0.432) 0.449 5.561 ( 1.101 0.000 1.496) 1.857 5.653 ( 2.858 0.000 -3.181) 4.276 5.719 ( 0.899 0.000 -0.737) 1.163 6.070 ( -0.931 -0.000 1.404) 1.685 6.103 ( -0.412 -0.000 2.143) 2.182 6.323 ( -1.289 -0.000 -2.096) 2.461 6.547 ( -0.030 -0.000 0.653) 0.654 6.637 ( -0.306 -0.000 0.242) 0.390 6.883 ( -1.241 -0.000 1.774) 2.165======================= Grid point 356 (154/219) =======================q-point: (-0.21 -0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -5.139 -10.059 7.350) 13.476 0.574 ( -10.023 -5.314 7.599) 13.655 0.887 ( -4.898 -13.350 3.591) 14.667 0.937 ( -1.909 -6.914 -2.924) 7.746 0.978 ( -1.799 -6.344 -5.338) 8.484 1.043 ( -0.405 -6.144 -1.402) 6.315 1.091 ( 2.301 -8.145 -0.148) 8.466 1.153 ( 4.638 -1.839 -0.059) 4.989 1.365 ( 1.971 -20.028 -0.677) 20.136 1.460 ( 3.549 -3.714 -2.421) 5.679 1.486 ( 1.311 -17.339 2.131) 17.519 1.665 ( -2.286 -3.023 1.515) 4.082 1.813 ( -2.394 -6.523 0.692) 6.983 2.026 ( -0.103 -10.443 -0.096) 10.444 2.118 ( -0.392 -5.682 0.180) 5.698 2.212 ( -3.060 -4.876 2.381) 6.230 2.314 ( 1.954 -28.950 -2.489) 29.122 2.499 ( 1.953 -13.302 2.445) 13.665 2.518 ( -0.416 -3.386 -0.585) 3.462 2.575 ( -3.108 -4.873 -3.560) 6.788 2.603 ( 0.457 -39.716 0.259) 39.720 3.083 ( 2.633 -5.103 2.008) 6.084 3.309 ( -0.870 -0.528 -1.798) 2.066 3.740 ( 25.033 -58.343 -4.469) 63.644 4.272 ( 0.661 -3.703 0.458) 3.790 4.324 ( 0.087 -1.282 -0.011) 1.285 4.411 ( -0.719 -3.368 6.932) 7.740 4.469 ( 1.523 -11.028 -9.881) 14.886 4.743 ( 1.253 1.349 -0.379) 1.880 4.879 ( 0.077 1.458 -1.951) 2.437 4.953 ( 1.113 2.184 6.948) 7.368 5.165 ( -0.825 1.594 0.728) 1.937 5.214 ( 0.056 -2.930 -0.044) 2.931 5.252 ( -0.090 -3.750 0.909) 3.860 5.304 ( -0.733 2.056 -3.322) 3.975 5.495 ( -0.083 3.060 0.855) 3.178 5.552 ( 0.843 1.550 1.147) 2.105 5.635 ( 2.396 2.045 -2.734) 4.171 5.703 ( 0.739 1.723 -1.048) 2.148 6.055 ( -0.924 1.262 1.231) 1.991 6.069 ( -0.510 3.319 0.793) 3.451 6.299 ( -0.797 1.239 -0.678) 1.621 6.524 ( -0.200 2.659 1.269) 2.953 6.611 ( -0.353 2.447 -0.068) 2.473 6.756 ( -3.640 10.361 0.604) 10.998======================= Grid point 357 (155/219) =======================q-point: (-0.14 -0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( -1.687 -9.967 4.650) 11.127 0.751 ( -2.731 -9.438 6.867) 11.987 0.949 ( -0.308 -1.515 0.937) 1.807 1.042 ( 0.780 -7.143 -4.999) 8.753 1.125 ( 1.268 -3.244 0.755) 3.564 1.168 ( -0.534 -6.374 -1.335) 6.534 1.180 ( 1.121 -4.628 2.075) 5.194 1.359 ( 3.013 -10.027 -0.998) 10.517 1.546 ( 1.911 -4.240 -2.001) 5.063 1.650 ( -1.537 -8.785 1.047) 8.980 1.713 ( -3.937 -12.670 1.343) 13.336 1.868 ( -0.222 -17.565 0.722) 17.582 2.025 ( -0.986 -13.685 -0.967) 13.755 2.122 ( -3.224 -1.674 0.881) 3.738 2.268 ( 0.444 -6.382 1.165) 6.503 2.345 ( 1.657 -8.451 0.515) 8.627 2.428 ( -0.296 -6.272 -0.810) 6.331 2.487 ( -0.288 0.073 -1.757) 1.782 2.592 ( -2.763 -3.446 -0.626) 4.461 2.958 ( -0.243 -4.888 -4.286) 6.505 3.273 ( -0.601 -3.349 3.610) 4.961 3.537 ( 0.246 -42.568 0.138) 42.569 3.651 ( 3.375 -47.009 0.304) 47.131 4.289 ( -0.385 -4.964 -0.156) 4.981 4.357 ( 0.045 -3.538 -0.715) 3.610 4.379 ( -0.239 -6.468 -4.320) 7.781 4.483 ( -0.710 -4.625 3.286) 5.718 4.703 ( 0.865 1.722 -1.863) 2.680 4.799 ( 4.205 -5.724 -3.220) 7.798 4.856 ( 1.718 1.265 -0.286) 2.152 4.979 ( 6.853 -3.172 7.202) 10.435 5.134 ( 0.093 1.618 0.563) 1.715 5.226 ( 1.288 0.010 -2.938) 3.208 5.289 ( 0.044 -4.424 -0.197) 4.429 5.337 ( -0.030 -2.444 -1.378) 2.806 5.415 ( 0.415 4.373 2.068) 4.855 5.532 ( 0.690 0.915 0.930) 1.476 5.615 ( 1.769 0.088 -1.192) 2.135 5.664 ( 0.312 2.192 -1.147) 2.494 5.991 ( -0.589 3.661 -0.219) 3.715 6.039 ( 0.146 0.356 0.920) 0.997 6.282 ( 0.143 0.050 -0.122) 0.195 6.437 ( -1.928 6.982 1.574) 7.413 6.547 ( -0.811 4.035 -1.011) 4.238 6.567 ( -1.544 5.736 0.267) 5.946======================= Grid point 358 (156/219) =======================q-point: (-0.07 -0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 0.045 -4.813 3.014) 5.679 0.894 ( 3.180 -9.892 2.862) 10.778 0.964 ( -0.978 -1.575 -0.504) 1.922 1.155 ( 0.508 -3.313 -1.242) 3.574 1.220 ( 1.276 -5.034 0.730) 5.244 1.247 ( 2.175 -3.396 -1.858) 4.440 1.331 ( 0.934 -9.633 4.567) 10.702 1.467 ( -2.457 -3.091 0.276) 3.958 1.618 ( -0.186 -4.465 -4.313) 6.211 1.751 ( -0.657 -4.235 2.436) 4.930 1.999 ( -1.721 -13.807 2.299) 14.102 2.110 ( -0.814 -3.531 0.412) 3.647 2.173 ( -0.213 -5.654 -0.902) 5.729 2.213 ( -1.428 -5.388 -2.650) 6.172 2.297 ( 0.674 -2.941 2.004) 3.622 2.458 ( 0.042 -3.983 -0.891) 4.082 2.596 ( 0.685 -8.016 -0.465) 8.058 2.622 ( 1.896 -11.408 2.634) 11.860 2.692 ( -1.708 -9.044 -3.113) 9.716 2.987 ( 0.366 -1.233 -7.120) 7.235 3.302 ( 0.045 -0.752 5.831) 5.880 4.157 ( -0.870 -18.996 0.016) 19.016 4.326 ( -0.163 -5.699 0.549) 5.728 4.390 ( 1.152 -11.833 1.676) 12.006 4.449 ( -0.571 -14.849 0.064) 14.860 4.477 ( -0.842 -4.296 -1.554) 4.645 4.581 ( -0.497 -5.108 -1.000) 5.229 4.658 ( 0.182 1.681 -0.332) 1.723 4.800 ( 0.014 2.227 0.849) 2.383 4.826 ( 0.507 0.709 0.283) 0.916 4.988 ( 0.051 1.937 0.202) 1.948 5.053 ( -1.616 3.774 1.969) 4.554 5.279 ( -1.193 3.140 -1.580) 3.712 5.354 ( 2.771 -4.876 1.515) 5.809 5.375 ( -1.147 -2.673 -0.916) 3.049 5.414 ( -0.132 -1.915 0.156) 1.926 5.556 ( 2.985 -2.777 -2.934) 5.023 5.612 ( -0.082 2.120 -0.089) 2.123 5.663 ( 1.401 -3.581 1.146) 4.012 5.947 ( -0.270 0.083 -0.828) 0.875 6.059 ( 1.453 -1.704 0.401) 2.275 6.270 ( -1.266 6.977 1.576) 7.264 6.302 ( 0.340 0.038 -1.196) 1.244 6.479 ( -0.109 2.246 -0.312) 2.270 6.497 ( -0.313 2.492 0.149) 2.516======================= Grid point 370 (157/219) =======================q-point: (-0.21 -0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.376 ( -7.118 -0.000 17.066) 18.491 0.381 ( -3.007 -0.000 -0.814) 3.115 0.495 ( -8.391 -0.000 3.613) 9.135 0.578 ( -16.364 -0.000 9.120) 18.734 0.905 ( -2.223 -0.000 -1.542) 2.706 0.951 ( 0.375 0.000 -4.463) 4.479 0.976 ( -0.664 -0.000 -2.174) 2.273 1.095 ( 2.804 0.000 -0.051) 2.805 1.172 ( 0.361 0.000 0.674) 0.764 1.229 ( 5.200 0.000 -0.879) 5.274 1.485 ( 5.009 0.000 -4.215) 6.546 1.491 ( -2.000 -0.000 -0.309) 2.024 1.752 ( -2.701 -0.000 4.236) 5.023 1.930 ( -0.325 -0.000 -0.064) 0.331 2.000 ( 7.294 0.000 -2.869) 7.838 2.058 ( 0.408 0.000 -0.029) 0.409 2.170 ( -0.221 -0.000 0.277) 0.354 2.174 ( -5.468 -0.000 0.547) 5.496 2.453 ( -0.437 -0.000 -2.598) 2.634 2.555 ( -1.954 -0.000 1.202) 2.294 2.559 ( -1.695 -0.000 1.157) 2.052 2.612 ( -0.425 -0.000 0.004) 0.425 3.065 ( 0.518 0.000 -3.249) 3.290 3.315 ( -0.546 -0.000 1.268) 1.381 4.219 ( 0.121 0.000 -0.055) 0.133 4.313 ( 0.147 0.000 0.026) 0.149 4.346 ( 0.436 0.000 0.018) 0.436 4.408 ( -1.015 -0.000 5.613) 5.704 4.762 ( 1.258 0.000 -0.522) 1.362 4.889 ( 0.145 0.000 -1.782) 1.788 5.001 ( 1.034 0.000 10.140) 10.192 5.181 ( -0.829 -0.000 1.132) 1.403 5.184 ( 0.365 0.000 -0.021) 0.365 5.207 ( 0.274 0.000 0.018) 0.274 5.314 ( -1.211 -0.000 -2.919) 3.161 5.522 ( 0.047 0.000 0.278) 0.282 5.580 ( 0.965 0.000 1.911) 2.140 5.666 ( 2.706 0.000 -3.216) 4.203 5.722 ( 0.809 0.000 -1.381) 1.601 6.066 ( -1.032 -0.000 1.197) 1.581 6.104 ( -0.263 -0.000 0.115) 0.287 6.308 ( -1.067 -0.000 0.331) 1.117 6.553 ( 0.359 0.000 1.420) 1.464 6.635 ( -0.337 -0.000 0.118) 0.357 6.873 ( -1.397 -0.000 -0.547) 1.500======================= Grid point 371 (158/219) =======================q-point: (-0.14 -0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.467 ( -7.639 -7.820 6.068) 12.503 0.545 ( -5.958 -10.624 15.797) 19.947 0.838 ( -7.476 -23.522 4.982) 25.180 0.907 ( -1.927 -4.877 -3.083) 6.083 0.950 ( 0.655 -2.276 -4.862) 5.408 1.037 ( 0.159 -6.094 -1.256) 6.224 1.110 ( 1.765 -6.206 -0.140) 6.453 1.198 ( 4.013 -4.844 0.303) 6.298 1.379 ( 1.633 -18.048 -1.368) 18.174 1.484 ( 2.674 -9.272 -0.624) 9.671 1.513 ( 2.871 -10.459 0.227) 10.848 1.647 ( -2.130 -1.070 0.430) 2.422 1.799 ( -1.989 -6.519 2.733) 7.343 2.027 ( 0.265 -9.482 0.571) 9.503 2.109 ( -1.728 -6.173 0.501) 6.429 2.197 ( -1.722 -5.970 1.703) 6.443 2.318 ( 1.038 -21.394 -2.360) 21.548 2.490 ( -1.232 -4.901 -6.753) 8.434 2.516 ( -0.311 -16.459 -3.826) 16.901 2.554 ( -0.448 -8.025 5.792) 9.907 2.607 ( 0.183 -37.730 0.184) 37.731 3.093 ( 1.435 -6.853 -6.163) 9.328 3.315 ( 0.275 0.085 5.564) 5.572 3.938 ( 23.713 -46.745 -23.710) 57.529 4.273 ( 0.041 -3.563 -2.819) 4.544 4.325 ( 0.095 -1.283 -0.008) 1.286 4.416 ( -1.518 -4.141 -2.438) 5.040 4.523 ( 11.073 -15.887 13.085) 23.372 4.756 ( 1.464 0.892 0.259) 1.734 4.881 ( 1.283 0.727 -0.719) 1.640 5.015 ( 3.805 1.190 12.962) 13.562 5.159 ( -0.820 1.605 0.270) 1.822 5.215 ( 0.089 -2.649 0.086) 2.652 5.256 ( -0.285 -2.484 1.599) 2.968 5.283 ( -0.256 0.610 -3.337) 3.402 5.500 ( 0.293 2.781 1.316) 3.091 5.566 ( 0.711 1.917 1.615) 2.605 5.646 ( 2.314 2.109 -2.696) 4.131 5.703 ( 0.460 1.832 -1.408) 2.356 6.052 ( -0.728 1.192 0.863) 1.641 6.064 ( -0.508 3.380 -0.396) 3.441 6.294 ( -0.479 0.888 0.967) 1.398 6.529 ( -0.179 3.200 1.836) 3.694 6.606 ( -0.425 2.640 -0.409) 2.705 6.711 ( -5.508 10.732 -0.653) 12.080======================= Grid point 372 (159/219) =======================q-point: (-0.07 -0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( -1.959 -12.983 5.410) 14.201 0.760 ( -1.949 -8.975 7.739) 12.011 0.946 ( -0.923 -1.540 0.540) 1.875 1.029 ( 1.267 -7.609 -5.917) 9.722 1.135 ( -0.112 -4.946 -0.121) 4.949 1.151 ( -0.866 -7.329 -0.597) 7.404 1.206 ( 0.936 -6.066 5.234) 8.066 1.395 ( 4.605 -6.674 -0.683) 8.137 1.553 ( 1.643 -2.774 -2.560) 4.117 1.645 ( -0.546 -8.497 1.081) 8.583 1.679 ( -4.587 -13.141 2.602) 14.160 1.873 ( 0.416 -18.064 0.513) 18.076 2.014 ( -0.398 -13.111 -0.974) 13.154 2.100 ( -2.702 -1.826 2.691) 4.228 2.279 ( 0.461 -5.520 1.698) 5.794 2.362 ( 1.685 -8.278 -0.427) 8.458 2.412 ( -1.370 -8.622 -2.803) 9.169 2.477 ( 0.103 -1.574 -2.146) 2.663 2.566 ( -2.175 -2.517 0.236) 3.335 2.919 ( -1.003 -5.131 -9.553) 10.890 3.297 ( 0.068 -3.640 7.401) 8.248 3.539 ( 0.127 -42.178 -0.017) 42.178 3.685 ( 2.794 -45.888 1.213) 45.989 4.285 ( -0.320 -3.906 -0.023) 3.919 4.344 ( 0.152 -6.783 -5.735) 8.884 4.365 ( -0.181 -3.061 -0.381) 3.090 4.482 ( -1.065 -4.119 -0.132) 4.257 4.704 ( 0.856 1.734 -1.552) 2.480 4.819 ( 2.063 -1.325 -0.681) 2.544 4.874 ( 1.659 1.576 0.484) 2.339 5.050 ( 1.802 3.132 3.263) 4.869 5.144 ( 0.138 4.040 2.612) 4.813 5.240 ( 3.811 -5.378 -2.261) 6.969 5.289 ( 0.286 -4.575 -0.502) 4.611 5.333 ( 0.509 -0.144 -1.682) 1.763 5.436 ( 1.702 3.281 2.619) 4.530 5.547 ( 1.480 0.607 1.101) 1.942 5.630 ( 2.284 -0.356 -0.407) 2.347 5.661 ( 0.044 2.346 -1.008) 2.553 5.981 ( -0.591 3.634 -1.549) 3.995 6.046 ( 0.497 -0.320 0.911) 1.086 6.287 ( 0.487 -0.083 0.575) 0.758 6.418 ( -3.169 7.598 1.213) 8.321 6.534 ( -0.710 3.848 -1.099) 4.064 6.556 ( -0.951 3.887 0.223) 4.008======================= Grid point 385 (160/219) =======================q-point: (-0.14 -0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.330 ( -8.445 -0.000 7.010) 10.975 0.359 ( -11.630 -0.000 10.457) 15.640 0.459 ( -2.246 -0.000 1.962) 2.982 0.508 ( -10.187 -0.000 25.905) 27.836 0.858 ( -3.274 -0.000 -7.118) 7.835 0.944 ( 0.959 0.000 -1.894) 2.123 0.957 ( -0.572 -0.000 -3.761) 3.804 1.119 ( 2.405 0.000 -0.966) 2.592 1.175 ( -0.238 -0.000 0.598) 0.643 1.277 ( 4.493 0.000 0.709) 4.549 1.471 ( -1.769 -0.000 -0.233) 1.785 1.523 ( 5.541 0.000 -2.223) 5.971 1.745 ( -2.906 -0.000 4.590) 5.433 1.900 ( -8.290 -0.000 -23.093) 24.535 1.929 ( -0.060 -0.000 0.590) 0.593 2.060 ( 0.203 0.000 -0.337) 0.393 2.169 ( -0.150 -0.000 0.398) 0.426 2.236 ( 3.795 0.000 9.969) 10.667 2.434 ( 0.007 0.000 -2.690) 2.690 2.542 ( -1.807 -0.000 0.484) 1.871 2.596 ( 5.236 0.000 12.626) 13.669 2.608 ( -0.330 -0.000 -0.045) 0.333 3.037 ( -0.207 -0.000 -8.893) 8.896 3.337 ( 0.770 0.000 7.226) 7.267 4.220 ( 0.106 0.000 -0.060) 0.121 4.314 ( 0.122 0.000 0.050) 0.132 4.350 ( 0.339 0.000 -0.002) 0.339 4.510 ( 10.371 0.000 23.480) 25.669 4.771 ( 1.114 0.000 -0.182) 1.129 4.892 ( 1.305 0.000 -0.489) 1.393 5.095 ( 7.153 0.000 19.677) 20.937 5.179 ( -0.288 -0.000 2.202) 2.221 5.188 ( 0.301 0.000 0.004) 0.301 5.209 ( 0.204 0.000 -0.011) 0.205 5.288 ( -1.697 -0.000 -2.394) 2.934 5.530 ( 1.418 0.000 1.587) 2.128 5.595 ( 0.412 0.000 1.952) 1.995 5.678 ( 2.362 0.000 -2.807) 3.668 5.722 ( 0.565 0.000 -1.673) 1.766 6.060 ( -1.011 -0.000 1.109) 1.500 6.100 ( -0.115 -0.000 -0.883) 0.890 6.304 ( -0.651 -0.000 1.794) 1.909 6.567 ( 1.075 0.000 1.924) 2.204 6.632 ( -0.339 -0.000 -0.049) 0.343 6.844 ( -2.854 -0.000 -4.829) 5.609======================= Grid point 386 (161/219) =======================q-point: (-0.07 -0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.416 ( -7.611 -10.344 6.572) 14.426 0.570 ( -4.370 -11.508 16.766) 20.800 0.803 ( -4.948 -22.756 7.846) 24.574 0.872 ( -1.475 -7.630 -3.598) 8.564 0.944 ( 1.636 -1.325 -3.422) 4.018 1.032 ( 0.078 -6.563 -1.857) 6.821 1.126 ( 1.156 -6.471 0.801) 6.622 1.232 ( 2.546 -7.140 0.504) 7.597 1.384 ( 0.989 -16.338 -2.255) 16.522 1.507 ( 1.817 -13.704 0.796) 13.847 1.541 ( 2.962 -4.403 -0.847) 5.374 1.630 ( -1.496 1.098 0.224) 1.870 1.797 ( -1.352 -6.592 3.899) 7.777 2.037 ( 0.964 -8.805 1.363) 8.962 2.091 ( -2.534 -8.670 0.991) 9.087 2.191 ( -0.715 -8.726 0.343) 8.762 2.314 ( 0.247 -10.785 -2.431) 11.059 2.438 ( -1.601 -16.370 -8.763) 18.637 2.492 ( -0.861 -6.563 -4.103) 7.788 2.584 ( 0.812 -19.971 4.478) 20.483 2.609 ( 0.015 -29.972 0.967) 29.988 3.068 ( 0.360 -9.947 -8.252) 12.929 3.352 ( 0.912 0.139 7.536) 7.592 3.972 ( 10.856 -38.082 -35.636) 53.273 4.254 ( -0.999 -2.625 -1.861) 3.369 4.326 ( 0.071 -1.236 0.051) 1.239 4.391 ( -1.307 -4.018 -1.753) 4.575 4.694 ( 9.082 -4.779 3.959) 10.999 4.784 ( 3.945 -1.853 2.576) 5.063 4.896 ( 2.018 0.257 -0.236) 2.048 5.138 ( 2.197 3.862 6.498) 7.872 5.162 ( 5.039 -1.256 5.197) 7.347 5.217 ( 0.222 -2.341 0.398) 2.385 5.247 ( -2.013 2.405 -0.415) 3.163 5.307 ( 7.094 -3.521 4.898) 9.312 5.523 ( 2.851 3.141 4.461) 6.156 5.580 ( 0.861 1.550 2.245) 2.860 5.660 ( 2.855 1.823 -1.811) 3.841 5.700 ( 0.028 1.905 -1.341) 2.330 6.050 ( -0.225 0.839 0.616) 1.065 6.055 ( -0.889 3.644 -1.137) 3.919 6.298 ( 0.050 0.660 1.848) 1.963 6.532 ( -1.512 5.175 1.955) 5.735 6.598 ( -0.677 3.110 -1.039) 3.349 6.645 ( -6.468 8.049 -0.700) 10.350======================= Grid point 400 (162/219) =======================q-point: (-0.07 -0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.265 ( -13.138 -0.000 8.760) 15.791 0.307 ( -5.155 -0.000 15.386) 16.226 0.452 ( -0.599 -0.000 0.432) 0.739 0.576 ( -4.686 -0.000 32.503) 32.839 0.791 ( -2.068 -0.000 -9.112) 9.344 0.931 ( -0.478 -0.000 -5.876) 5.895 0.951 ( 1.767 0.000 -1.456) 2.289 1.133 ( 1.496 0.000 -1.466) 2.094 1.174 ( -0.460 -0.000 0.672) 0.814 1.321 ( 2.782 0.000 2.459) 3.713 1.456 ( -1.077 -0.000 -0.213) 1.098 1.570 ( 4.418 0.000 -0.404) 4.437 1.707 ( -6.714 -0.000 -1.523) 6.885 1.779 ( -2.743 -0.000 -0.474) 2.784 1.934 ( 0.211 0.000 1.215) 1.234 2.059 ( -0.007 -0.000 -0.657) 0.657 2.170 ( -0.108 -0.000 0.479) 0.491 2.248 ( 0.161 0.000 -8.287) 8.289 2.427 ( 0.163 0.000 -2.674) 2.678 2.529 ( -1.141 -0.000 1.034) 1.540 2.606 ( -0.178 -0.000 -0.079) 0.195 2.733 ( 7.911 0.000 7.981) 11.238 2.999 ( 0.768 0.000 -8.383) 8.418 3.382 ( 1.648 0.000 6.673) 6.873 4.221 ( 0.072 0.000 -0.061) 0.095 4.316 ( 0.065 0.000 0.070) 0.096 4.352 ( 0.179 0.000 -0.021) 0.180 4.717 ( 9.007 0.000 6.103) 10.880 4.793 ( 3.485 0.000 3.589) 5.002 4.907 ( 1.719 0.000 -0.015) 1.720 5.161 ( -0.670 -0.000 -0.443) 0.803 5.190 ( 0.181 0.000 0.028) 0.183 5.211 ( 0.097 0.000 -0.038) 0.104 5.261 ( -2.259 -0.000 -0.859) 2.417 5.373 ( 16.517 0.000 13.964) 21.629 5.604 ( -0.294 -0.000 1.813) 1.837 5.636 ( 20.705 0.000 14.205) 25.110 5.692 ( 4.716 0.000 -0.248) 4.723 5.719 ( 0.499 0.000 -1.187) 1.288 6.055 ( -1.068 -0.000 1.050) 1.498 6.093 ( -0.455 -0.000 -1.394) 1.466 6.311 ( 0.195 0.000 2.603) 2.610 6.592 ( 2.310 0.000 1.320) 2.660 6.627 ( -0.618 -0.000 -0.624) 0.878 6.753 ( -10.513 -0.000 -8.218) 13.344======================= Grid point 401 (163/219) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.443 ( 0.000 0.000 0.000) 0.000 0.453 ( 0.000 0.000 -0.000) 0.000 0.489 ( -0.000 -0.000 0.000) 0.000 0.667 ( -0.000 -0.000 -0.000) 0.000 0.692 ( 0.000 0.000 0.000) 0.000 0.928 ( -0.000 -0.000 0.000) 0.000 1.101 ( -0.000 -0.000 -0.000) 0.000 1.116 ( 0.000 0.000 0.000) 0.000 1.181 ( -0.000 -0.000 0.000) 0.000 1.435 ( -0.000 -0.000 -0.000) 0.000 1.447 ( -0.000 -0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.667 ( -0.000 -0.000 0.000) 0.000 1.804 ( 0.000 0.000 0.000) 0.000 1.965 ( -0.000 -0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.361 ( -0.000 -0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.603 ( -0.000 -0.000 0.000) 0.000 2.813 ( -0.000 -0.000 0.000) 0.000 2.904 ( -0.000 -0.000 0.000) 0.000 3.467 ( -0.000 -0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.317 ( -0.000 -0.000 0.000) 0.000 4.353 ( -0.000 -0.000 -0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.879 ( -0.000 -0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.136 ( -0.000 -0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.210 ( -0.000 -0.000 0.000) 0.000 5.253 ( -0.000 -0.000 0.000) 0.000 5.434 ( -0.000 -0.000 0.000) 0.000 5.642 ( 0.000 0.000 -0.000) 0.000 5.656 ( -0.000 -0.000 0.000) 0.000 5.700 ( -0.000 -0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.041 ( -0.000 -0.000 -0.000) 0.000 6.066 ( -0.000 -0.000 0.000) 0.000 6.379 ( 0.000 0.000 0.000) 0.000 6.511 ( -0.000 -0.000 -0.000) 0.000 6.629 ( 0.000 0.000 0.000) 0.000 6.669 ( -0.000 -0.000 0.000) 0.000======================= Grid point 403 (164/219) =======================q-point: ( 0.07 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( 2.580 -9.670 -5.036) 11.204 0.598 ( -0.351 -9.556 6.473) 11.547 0.818 ( 1.029 -11.054 -5.426) 12.357 0.872 ( 0.626 -6.653 3.874) 7.724 0.974 ( 0.653 -8.097 0.206) 8.126 0.999 ( 0.024 -6.837 -0.180) 6.839 1.267 ( -0.672 -8.485 -0.394) 8.520 1.297 ( -0.194 -14.496 -1.012) 14.533 1.393 ( -0.291 -17.363 -5.481) 18.210 1.508 ( -2.479 -10.991 2.060) 11.454 1.544 ( 0.302 -0.561 0.031) 0.638 1.621 ( -0.236 2.864 0.368) 2.897 1.846 ( 0.881 -11.022 0.240) 11.060 2.045 ( 1.479 -2.599 1.378) 3.292 2.082 ( -1.019 -14.922 -0.478) 14.964 2.133 ( 0.446 -7.288 0.716) 7.336 2.277 ( -0.033 -45.613 1.440) 45.636 2.330 ( 0.470 3.877 -1.974) 4.376 2.362 ( 0.187 -0.018 2.637) 2.644 2.592 ( -0.040 -40.096 0.161) 40.096 2.678 ( 0.141 0.351 -0.779) 0.866 2.973 ( -0.783 -25.798 0.583) 25.817 3.446 ( -0.202 -7.698 0.477) 7.716 3.521 ( -1.015 -35.271 2.254) 35.357 4.240 ( 0.145 -1.904 0.036) 1.909 4.328 ( -0.022 -1.290 -0.022) 1.290 4.368 ( 0.212 -1.637 0.173) 1.659 4.729 ( -0.436 0.955 -0.035) 1.051 4.870 ( -0.561 0.545 -0.842) 1.150 4.915 ( -0.996 0.340 -0.257) 1.083 5.120 ( 0.344 2.140 0.579) 2.244 5.216 ( -0.114 -1.541 -0.230) 1.563 5.223 ( 0.127 1.697 0.223) 1.717 5.226 ( 0.029 -1.277 0.214) 1.296 5.410 ( -0.114 2.786 -0.200) 2.796 5.607 ( -0.726 4.960 0.250) 5.019 5.625 ( -0.087 1.640 -0.428) 1.697 5.676 ( -0.239 1.839 0.384) 1.894 5.863 ( -7.264 7.860 -4.492) 11.607 5.988 ( 1.323 5.475 2.091) 6.008 6.060 ( 0.580 0.018 -0.197) 0.613 6.357 ( -0.291 1.903 -1.469) 2.422 6.463 ( 2.432 4.712 2.393) 5.817 6.598 ( -1.166 3.339 -0.292) 3.549 6.613 ( 1.798 4.228 -0.070) 4.595======================= Grid point 404 (165/219) =======================q-point: ( 0.14 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( 0.282 -11.508 -1.016) 11.556 0.815 ( -0.091 -10.620 0.866) 10.656 0.928 ( 1.260 -2.873 0.564) 3.187 0.949 ( 0.544 -3.648 -0.332) 3.703 1.117 ( 0.281 -6.609 0.171) 6.617 1.148 ( -0.052 -7.051 0.138) 7.053 1.409 ( -1.021 -7.063 -5.284) 8.880 1.441 ( -1.188 -1.262 -1.220) 2.119 1.531 ( -1.836 2.165 0.748) 2.935 1.582 ( 0.256 -9.302 3.111) 9.812 1.791 ( 1.759 -18.382 -7.166) 19.807 1.846 ( -0.249 -18.943 3.974) 19.357 2.056 ( -1.343 -7.980 -5.499) 9.783 2.164 ( 2.220 -8.591 1.496) 8.999 2.190 ( 1.347 -2.741 5.206) 6.036 2.345 ( -0.417 -11.091 -0.308) 11.103 2.374 ( 0.144 -2.561 3.567) 4.394 2.393 ( 0.261 -7.906 -0.696) 7.941 2.603 ( -1.190 -3.602 -3.388) 5.086 2.697 ( 1.927 -2.513 4.780) 5.734 3.451 ( 0.097 -1.107 -2.741) 2.958 3.528 ( 0.023 -46.038 0.670) 46.043 3.751 ( -1.712 -42.347 -1.032) 42.394 4.193 ( -1.609 -25.891 3.054) 26.120 4.287 ( 0.517 -3.008 -0.188) 3.058 4.371 ( 0.136 -3.203 -0.217) 3.213 4.420 ( 1.382 -3.367 1.362) 3.886 4.700 ( -0.507 1.934 -0.064) 2.000 4.854 ( -0.489 0.805 -0.869) 1.281 4.908 ( -1.898 -0.672 -0.736) 2.144 5.037 ( 0.682 7.145 1.419) 7.316 5.172 ( 0.238 1.895 0.401) 1.952 5.269 ( -0.367 -3.309 -0.678) 3.397 5.277 ( -0.210 -3.049 0.161) 3.061 5.320 ( 0.045 5.702 -0.247) 5.708 5.501 ( -0.691 4.355 -0.689) 4.463 5.577 ( -0.099 3.178 -0.398) 3.205 5.640 ( -0.069 1.765 0.260) 1.785 5.720 ( -4.459 1.793 -3.135) 5.738 5.903 ( 0.653 3.882 2.778) 4.818 6.067 ( -0.159 -0.610 -0.405) 0.749 6.310 ( -0.482 2.338 -0.368) 2.415 6.387 ( 2.310 4.902 0.883) 5.491 6.518 ( 0.004 3.605 -0.054) 3.606 6.550 ( 0.484 3.356 0.004) 3.390======================= Grid point 405 (166/219) =======================q-point: ( 0.21 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( -0.968 -2.081 0.352) 2.322 0.936 ( 1.007 -0.508 0.871) 1.425 1.029 ( -0.201 -10.227 -5.270) 11.507 1.094 ( -0.778 -8.721 3.650) 9.486 1.229 ( -1.701 -5.026 0.762) 5.360 1.244 ( -1.770 -3.922 0.236) 4.310 1.459 ( 1.712 -1.661 -0.902) 2.550 1.501 ( 0.846 -2.078 0.517) 2.303 1.535 ( -0.787 -5.978 -4.735) 7.667 1.750 ( 0.054 -7.294 3.057) 7.909 2.062 ( 0.621 -5.887 -1.032) 6.009 2.119 ( 1.244 -8.684 0.472) 8.786 2.163 ( -0.130 -1.139 0.014) 1.146 2.204 ( -0.680 -8.914 -7.111) 11.423 2.391 ( -1.756 -7.168 -1.261) 7.487 2.437 ( 0.294 -6.185 1.473) 6.365 2.515 ( 0.683 -4.598 4.395) 6.397 2.567 ( 1.663 -9.843 4.020) 10.761 2.700 ( -1.815 -8.790 -2.494) 9.315 2.802 ( 1.209 -6.628 3.743) 7.707 3.452 ( -0.264 -0.242 -3.024) 3.045 4.141 ( 0.634 -18.405 0.427) 18.421 4.342 ( 0.116 -3.634 -0.599) 3.685 4.417 ( 0.105 -17.717 1.275) 17.764 4.439 ( 0.166 -4.013 -0.765) 4.089 4.481 ( -0.421 -13.452 -1.440) 13.536 4.544 ( 0.863 -6.437 1.099) 6.587 4.650 ( -0.404 2.823 0.259) 2.863 4.829 ( -0.310 1.402 -0.852) 1.670 4.868 ( -0.437 4.693 -1.809) 5.048 4.950 ( -0.338 -0.045 1.997) 2.026 5.138 ( 0.617 2.338 -4.251) 4.891 5.206 ( 0.092 3.299 3.668) 4.934 5.313 ( 0.944 -1.027 1.703) 2.201 5.393 ( -0.479 -6.947 -0.243) 6.968 5.458 ( -0.476 -0.123 -1.901) 1.963 5.527 ( 0.178 1.069 0.183) 1.100 5.608 ( 0.110 2.062 0.084) 2.067 5.721 ( -2.192 -3.431 -1.748) 4.431 5.870 ( 0.988 0.687 3.460) 3.663 6.080 ( -0.978 -1.163 -0.284) 1.545 6.266 ( -0.200 2.642 1.496) 3.043 6.307 ( 0.323 3.528 -1.403) 3.811 6.472 ( 0.056 1.191 0.051) 1.194 6.495 ( 0.111 2.447 0.084) 2.451======================= Grid point 406 (167/219) =======================q-point: ( 0.29 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( -0.263 0.249 -0.189) 0.408 0.935 ( 1.067 0.518 0.327) 1.230 1.178 ( -0.313 -4.386 -0.016) 4.397 1.209 ( 0.245 -3.369 -0.838) 3.480 1.294 ( -5.066 -4.797 -0.752) 7.017 1.307 ( -2.774 -4.121 1.075) 5.082 1.521 ( 3.419 -3.417 -0.762) 4.893 1.588 ( 1.479 -5.636 1.770) 6.090 1.652 ( -0.251 -7.149 -2.807) 7.684 1.868 ( -0.408 -4.678 -0.096) 4.697 2.085 ( 0.412 1.721 2.655) 3.190 2.149 ( -0.651 0.843 -0.171) 1.079 2.208 ( 0.043 -0.105 0.638) 0.648 2.305 ( -0.137 -2.713 -7.704) 8.169 2.482 ( -1.276 -3.628 -2.238) 4.450 2.583 ( 0.144 -6.996 3.957) 8.038 2.622 ( -0.457 -7.488 1.006) 7.569 2.754 ( 0.569 -6.724 4.192) 7.944 2.835 ( -0.130 -5.529 1.765) 5.805 2.962 ( -1.168 -9.016 -0.517) 9.106 3.441 ( -0.448 0.511 -3.510) 3.575 4.351 ( 0.641 -5.260 0.437) 5.317 4.404 ( 0.423 -2.752 -1.369) 3.103 4.485 ( -0.012 0.228 -0.858) 0.888 4.491 ( -0.144 -0.989 0.507) 1.121 4.561 ( 0.352 1.362 0.827) 1.631 4.587 ( -0.806 1.077 -0.624) 1.483 4.722 ( -0.134 -2.662 -0.347) 2.688 4.799 ( 0.093 0.861 -0.208) 0.891 4.827 ( 0.468 1.050 0.870) 1.442 5.012 ( -0.219 -4.332 0.665) 4.388 5.103 ( 0.317 -0.907 -4.880) 4.973 5.199 ( 0.891 -0.209 2.884) 3.026 5.342 ( 1.575 -0.954 2.280) 2.931 5.447 ( 0.879 0.749 -1.517) 1.906 5.481 ( -0.175 -2.596 -0.597) 2.670 5.547 ( -0.445 1.730 -0.068) 1.788 5.580 ( 0.984 -2.180 0.557) 2.456 5.795 ( -0.554 -4.374 -1.889) 4.797 5.896 ( 1.140 -1.360 4.558) 4.892 6.098 ( -1.213 -1.293 -0.275) 1.794 6.197 ( -0.084 3.946 -1.257) 4.143 6.273 ( -0.890 0.490 0.932) 1.378 6.458 ( -0.158 1.135 -0.195) 1.162 6.471 ( -0.084 -0.392 0.040) 0.402======================= Grid point 407 (168/219) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 0.207 0.528 -0.052) 0.570 0.929 ( 1.522 0.944 0.209) 1.803 1.210 ( -0.389 -0.293 0.310) 0.577 1.227 ( 0.423 0.683 0.040) 0.804 1.365 ( -0.377 -2.996 0.266) 3.031 1.388 ( -4.227 -6.629 -1.636) 8.031 1.610 ( 1.808 -4.499 -0.356) 4.862 1.686 ( 0.228 -3.427 -0.143) 3.438 1.786 ( 0.129 -6.352 1.192) 6.464 1.916 ( -0.621 -1.019 -3.103) 3.324 2.044 ( -0.657 2.632 5.206) 5.870 2.116 ( -0.781 1.889 -2.523) 3.247 2.187 ( -0.248 1.563 0.795) 1.771 2.304 ( 0.290 0.893 -4.025) 4.133 2.523 ( 0.071 -1.747 0.955) 1.992 2.664 ( -1.955 -1.650 -0.590) 2.626 2.775 ( -0.536 -6.951 0.119) 6.973 2.844 ( -0.964 -3.344 2.832) 4.487 2.938 ( 0.520 -4.977 3.994) 6.403 3.102 ( -1.264 -6.280 -2.338) 6.819 3.415 ( -0.348 1.001 -3.106) 3.282 4.375 ( 0.045 1.560 -0.013) 1.561 4.410 ( 1.089 2.859 0.446) 3.092 4.478 ( 0.583 -1.479 -3.418) 3.770 4.506 ( 0.133 -0.547 0.143) 0.581 4.555 ( -0.498 -1.635 2.205) 2.790 4.615 ( -1.396 -2.925 -1.371) 3.519 4.734 ( -0.373 -0.434 -1.049) 1.195 4.790 ( 0.215 0.293 1.459) 1.503 4.816 ( 0.110 0.125 1.015) 1.028 5.054 ( -0.121 -1.138 0.714) 1.349 5.124 ( 0.577 -0.307 -2.868) 2.942 5.210 ( 0.856 0.358 1.804) 2.029 5.372 ( 1.541 -1.189 0.496) 2.009 5.410 ( -0.232 3.134 -3.759) 4.900 5.505 ( 1.398 0.067 2.166) 2.579 5.542 ( 0.501 -2.331 0.349) 2.410 5.619 ( 0.692 -0.354 2.106) 2.245 5.837 ( 0.276 0.064 -1.620) 1.644 5.921 ( 1.054 0.326 2.711) 2.927 6.094 ( -0.443 2.302 -1.769) 2.937 6.139 ( -0.924 0.640 0.269) 1.155 6.260 ( -0.650 1.055 0.808) 1.479 6.445 ( -0.208 0.162 -0.088) 0.278 6.478 ( -0.174 -0.155 -0.152) 0.279======================= Grid point 408 (169/219) =======================q-point: ( 0.43 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 0.506 0.006 -0.228) 0.555 0.915 ( 1.191 1.334 0.433) 1.840 1.205 ( 0.283 0.741 0.430) 0.902 1.207 ( -0.186 1.113 -0.280) 1.163 1.411 ( -0.314 -2.056 -1.074) 2.341 1.495 ( -0.607 -6.124 -0.299) 6.162 1.696 ( -0.650 -2.833 1.346) 3.203 1.709 ( 0.422 -0.036 -1.016) 1.100 1.842 ( -0.382 1.492 1.349) 2.048 1.926 ( -0.184 -1.836 -0.469) 1.904 2.024 ( -1.268 -0.128 1.895) 2.284 2.075 ( 0.494 1.474 -2.774) 3.180 2.151 ( -0.060 1.963 -0.322) 1.990 2.281 ( 0.000 0.646 -0.669) 0.930 2.560 ( 1.005 -1.381 2.085) 2.695 2.637 ( -2.671 1.906 -1.939) 3.811 2.859 ( -0.951 -2.804 -0.313) 2.977 2.909 ( -0.701 -2.944 1.567) 3.408 3.051 ( 0.531 -5.357 4.099) 6.766 3.168 ( -0.681 -1.671 -3.255) 3.722 3.392 ( -0.202 0.657 -1.723) 1.856 4.347 ( 0.461 1.150 -0.088) 1.242 4.356 ( 0.096 2.402 0.030) 2.404 4.502 ( 0.309 -1.205 -1.678) 2.089 4.521 ( 0.321 -0.730 -0.308) 0.855 4.600 ( -0.346 -2.104 1.822) 2.805 4.652 ( -0.950 -1.701 -1.233) 2.306 4.739 ( -0.173 -0.317 -0.746) 0.829 4.793 ( -0.022 -0.038 1.338) 1.339 4.842 ( -0.255 -2.868 0.918) 3.023 5.042 ( 0.669 3.513 0.401) 3.599 5.131 ( 0.237 -2.100 -1.991) 2.904 5.206 ( 0.203 0.619 2.049) 2.150 5.324 ( -0.280 4.246 -2.762) 5.073 5.409 ( 0.961 -1.796 -0.696) 2.153 5.548 ( 1.350 -3.432 0.902) 3.797 5.576 ( -0.329 0.017 0.103) 0.345 5.631 ( 1.373 -0.931 3.515) 3.887 5.776 ( 0.201 5.772 -0.512) 5.798 5.924 ( 0.497 -0.155 -0.518) 0.735 6.022 ( -0.294 3.768 -0.542) 3.818 6.142 ( -0.633 -0.541 0.200) 0.856 6.232 ( -0.347 1.445 0.368) 1.531 6.446 ( -0.148 -0.278 0.033) 0.316 6.472 ( -0.123 0.561 -0.187) 0.604======================= Grid point 409 (170/219) =======================q-point: ( 0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( -0.000 -0.000 -0.000) 0.000 0.899 ( -0.000 0.000 0.000) 0.000 1.191 ( -0.000 0.000 0.000) 0.000 1.200 ( -0.000 0.000 0.000) 0.000 1.429 ( -0.000 0.000 0.000) 0.000 1.584 ( 0.000 -0.000 -0.000) 0.000 1.654 ( -0.000 0.000 0.000) 0.000 1.779 ( -0.000 -0.000 -0.000) 0.000 1.787 ( -0.000 0.000 0.000) 0.000 1.946 ( -0.000 0.000 -0.000) 0.000 2.027 ( -0.000 -0.000 0.000) 0.000 2.057 ( 0.000 0.000 -0.000) 0.000 2.132 ( -0.000 0.000 0.000) 0.000 2.275 ( -0.000 0.000 -0.000) 0.000 2.588 ( 0.000 -0.000 0.000) 0.000 2.595 ( -0.000 0.000 -0.000) 0.000 2.883 ( -0.000 -0.000 -0.000) 0.000 2.939 ( -0.000 0.000 0.000) 0.000 3.139 ( -0.000 -0.000 0.000) 0.000 3.150 ( -0.000 0.000 -0.000) 0.000 3.383 ( -0.000 0.000 0.000) 0.000 4.332 ( -0.000 0.000 -0.000) 0.000 4.338 ( -0.000 0.000 0.000) 0.000 4.516 ( -0.000 0.000 0.000) 0.000 4.527 ( -0.000 -0.000 -0.000) 0.000 4.624 ( -0.000 0.000 -0.000) 0.000 4.664 ( -0.000 -0.000 0.000) 0.000 4.741 ( -0.000 0.000 -0.000) 0.000 4.795 ( -0.000 0.000 0.000) 0.000 4.896 ( -0.000 -0.000 0.000) 0.000 4.980 ( -0.000 0.000 0.000) 0.000 5.168 ( -0.000 0.000 0.000) 0.000 5.200 ( -0.000 -0.000 -0.000) 0.000 5.266 ( -0.000 0.000 -0.000) 0.000 5.433 ( -0.000 0.000 0.000) 0.000 5.564 ( -0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 -0.000) 0.000 5.650 ( 0.000 -0.000 0.000) 0.000 5.667 ( -0.000 0.000 -0.000) 0.000 5.925 ( -0.000 0.000 -0.000) 0.000 5.979 ( -0.000 0.000 0.000) 0.000 6.147 ( -0.000 0.000 0.000) 0.000 6.216 ( -0.000 0.000 -0.000) 0.000 6.450 ( -0.000 0.000 0.000) 0.000 6.463 ( -0.000 0.000 0.000) 0.000======================= Grid point 418 (171/219) =======================q-point: ( 0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( -1.198 -0.000 -0.148) 1.207 0.461 ( 6.680 0.000 -9.424) 11.551 0.529 ( 1.461 0.000 12.564) 12.648 0.624 ( 2.664 0.000 -14.267) 14.514 0.755 ( 2.446 0.000 11.977) 12.224 0.933 ( 1.566 0.000 -1.462) 2.142 1.087 ( 0.565 0.000 -7.790) 7.811 1.108 ( -1.770 -0.000 0.658) 1.889 1.182 ( 0.128 0.000 -0.069) 0.145 1.395 ( -3.898 -0.000 -7.295) 8.271 1.453 ( 1.153 0.000 0.032) 1.154 1.563 ( -1.993 -0.000 1.837) 2.710 1.666 ( -0.562 -0.000 2.076) 2.151 1.811 ( 1.036 0.000 0.297) 1.078 1.961 ( -0.282 -0.000 -0.959) 1.000 2.043 ( 0.109 0.000 0.599) 0.609 2.047 ( 2.612 0.000 5.580) 6.161 2.177 ( -0.012 -0.000 -0.097) 0.098 2.367 ( 0.347 0.000 1.892) 1.924 2.547 ( 1.416 0.000 -0.589) 1.533 2.604 ( 0.194 0.000 0.030) 0.196 2.811 ( -0.414 -0.000 -0.936) 1.024 2.890 ( -3.090 -0.000 1.425) 3.403 3.465 ( 0.347 0.000 -1.798) 1.831 4.220 ( -0.045 -0.000 0.000) 0.045 4.317 ( -0.095 -0.000 -0.015) 0.096 4.352 ( -0.172 -0.000 0.016) 0.173 4.735 ( -1.046 -0.000 -0.068) 1.048 4.867 ( -1.804 -0.000 -2.328) 2.946 4.912 ( -1.542 -0.000 -0.441) 1.604 5.142 ( 0.645 0.000 1.054) 1.236 5.191 ( -0.176 -0.000 -0.031) 0.179 5.210 ( -0.103 -0.000 0.036) 0.109 5.255 ( 0.307 0.000 0.476) 0.567 5.433 ( -0.283 -0.000 -0.212) 0.354 5.637 ( -1.332 -0.000 0.790) 1.549 5.653 ( -0.338 -0.000 -0.896) 0.958 5.697 ( -1.003 -0.000 0.859) 1.320 5.873 ( -14.816 -0.000 -7.461) 16.588 6.061 ( -0.653 -0.000 1.244) 1.404 6.070 ( 1.441 0.000 -0.130) 1.447 6.371 ( 0.439 0.000 -3.000) 3.032 6.547 ( 3.260 0.000 4.904) 5.888 6.622 ( -0.821 -0.000 -0.286) 0.870 6.685 ( 2.745 0.000 0.689) 2.831======================= Grid point 419 (172/219) =======================q-point: ( 0.14 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( 5.210 -8.752 -7.257) 12.506 0.640 ( 0.759 -7.644 10.794) 13.248 0.807 ( 3.304 -12.679 -7.917) 15.309 0.902 ( 1.515 -4.063 3.820) 5.779 0.987 ( 1.693 -7.726 0.094) 7.910 0.998 ( 0.078 -7.456 -0.316) 7.463 1.249 ( -2.226 -8.899 -1.315) 9.267 1.278 ( -0.343 -12.781 -7.937) 15.049 1.356 ( -1.247 -14.876 -5.008) 15.746 1.487 ( -4.198 -13.640 3.402) 14.672 1.538 ( -1.350 -2.817 -0.585) 3.179 1.623 ( 0.223 0.692 0.779) 1.065 1.860 ( 1.926 -7.615 -0.810) 7.897 2.065 ( -1.306 -14.027 -1.003) 14.124 2.080 ( 3.119 -6.038 2.707) 7.315 2.145 ( 0.598 -8.223 2.718) 8.681 2.289 ( -0.289 -44.263 4.535) 44.496 2.326 ( 1.181 3.269 -3.565) 4.979 2.384 ( 0.752 1.258 5.216) 5.418 2.593 ( -0.113 -40.459 0.456) 40.462 2.673 ( 0.261 -0.688 -2.390) 2.501 2.964 ( -2.004 -22.201 2.119) 22.392 3.444 ( -0.526 -5.797 0.163) 5.823 3.519 ( -3.455 -38.732 6.963) 39.504 4.243 ( 0.428 -2.149 0.149) 2.197 4.328 ( -0.050 -1.336 -0.062) 1.338 4.374 ( 0.544 -2.289 0.521) 2.410 4.720 ( -1.338 0.774 -0.333) 1.581 4.848 ( -2.613 -0.091 -2.829) 3.852 4.898 ( -1.642 0.460 -0.440) 1.761 5.131 ( 0.749 2.135 1.395) 2.658 5.211 ( -0.468 -1.113 -0.636) 1.364 5.224 ( -0.160 -1.470 0.047) 1.480 5.231 ( 0.453 1.595 1.003) 1.938 5.403 ( -0.734 2.924 -1.587) 3.407 5.594 ( -2.078 4.932 0.161) 5.354 5.619 ( -0.606 1.500 -0.758) 1.786 5.675 ( -0.482 1.674 0.956) 1.987 5.730 ( -11.552 3.596 -9.427) 15.338 6.004 ( -0.494 5.017 3.062) 5.898 6.066 ( 0.699 0.455 -0.201) 0.858 6.348 ( 0.698 1.916 -2.903) 3.548 6.511 ( 3.379 5.332 4.141) 7.550 6.587 ( -0.610 3.080 -0.405) 3.166 6.635 ( 2.822 5.104 0.239) 5.837======================= Grid point 420 (173/219) =======================q-point: ( 0.21 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 0.359 -10.766 -2.843) 11.140 0.821 ( 0.072 -8.283 1.825) 8.482 0.945 ( 0.976 -1.008 0.918) 1.677 0.958 ( 1.897 -5.515 -0.310) 5.840 1.122 ( 0.495 -6.296 0.612) 6.345 1.147 ( -0.254 -6.151 0.067) 6.157 1.362 ( -2.205 -6.925 -8.469) 11.160 1.416 ( -2.172 -4.040 -2.473) 5.211 1.514 ( -2.427 0.053 1.501) 2.854 1.603 ( 0.557 -9.776 4.280) 10.686 1.783 ( 3.112 -17.225 -7.258) 18.949 1.856 ( -0.738 -18.527 2.539) 18.715 2.030 ( 0.337 -8.065 -3.726) 8.891 2.172 ( 1.461 -3.556 -2.940) 4.840 2.244 ( 2.037 -4.698 7.754) 9.292 2.337 ( -0.761 -11.196 -0.172) 11.223 2.393 ( 0.507 -9.396 -0.830) 9.446 2.397 ( 0.321 -2.368 5.373) 5.880 2.583 ( -0.129 -1.874 -2.350) 3.008 2.740 ( 1.917 -3.477 6.133) 7.306 3.435 ( 0.110 -2.510 -4.979) 5.577 3.531 ( 0.035 -44.439 0.837) 44.447 3.721 ( -3.137 -44.573 -1.728) 44.717 4.192 ( -2.256 -24.425 5.918) 25.233 4.294 ( 0.914 -2.734 -0.220) 2.891 4.371 ( 0.276 -3.214 -0.404) 3.251 4.445 ( 1.763 -4.082 2.181) 4.953 4.693 ( -0.859 1.629 -0.087) 1.844 4.840 ( -1.481 -0.267 -1.720) 2.285 4.882 ( -2.569 -0.222 -0.618) 2.651 5.051 ( 0.518 6.859 1.838) 7.119 5.178 ( 0.159 1.922 1.075) 2.207 5.250 ( -1.992 -2.212 -3.061) 4.270 5.278 ( 0.229 -2.899 0.354) 2.930 5.320 ( 0.301 3.453 -0.193) 3.471 5.486 ( -1.420 4.020 -1.747) 4.608 5.573 ( -0.193 2.930 -0.933) 3.081 5.638 ( -1.238 0.807 -0.520) 1.566 5.657 ( -4.129 -0.538 -2.080) 4.655 5.923 ( 0.508 3.633 3.671) 5.190 6.062 ( -0.280 -0.056 -0.594) 0.658 6.304 ( -0.105 2.098 -0.952) 2.306 6.418 ( 2.681 6.572 1.381) 7.231 6.519 ( 0.137 3.348 0.132) 3.353 6.557 ( 0.895 3.954 0.020) 4.054======================= Grid point 421 (174/219) =======================q-point: ( 0.29 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -0.679 -2.456 0.574) 2.612 0.947 ( 0.189 0.304 0.836) 0.910 0.994 ( -1.412 -11.021 -6.377) 12.811 1.105 ( -0.315 -7.150 3.959) 8.179 1.211 ( -2.554 -3.889 0.959) 4.750 1.229 ( -1.733 -2.966 0.665) 3.499 1.465 ( 0.204 -5.569 -5.055) 7.524 1.488 ( 0.572 -5.536 -4.011) 6.860 1.534 ( 1.110 -2.956 2.748) 4.186 1.765 ( 0.381 -6.410 2.574) 6.918 2.067 ( 1.300 -7.890 -1.123) 8.075 2.133 ( 1.387 -5.335 -2.709) 6.142 2.145 ( -1.346 -9.525 -1.070) 9.679 2.189 ( 1.262 -0.956 -1.396) 2.111 2.366 ( -1.337 -5.589 -2.862) 6.420 2.440 ( -0.089 -5.938 0.466) 5.957 2.542 ( -0.071 -5.262 5.685) 7.747 2.605 ( 1.931 -10.246 4.997) 11.562 2.672 ( -1.453 -9.819 -2.727) 10.293 2.832 ( 0.802 -4.453 5.254) 6.934 3.431 ( -0.412 -0.155 -4.854) 4.874 4.150 ( 0.830 -18.902 0.531) 18.927 4.341 ( 0.180 -4.318 -0.691) 4.377 4.423 ( 0.157 -18.437 0.370) 18.441 4.436 ( -0.051 -4.159 -0.167) 4.163 4.473 ( 0.131 -11.924 -1.330) 11.999 4.557 ( 0.735 -5.502 1.130) 5.665 4.647 ( -0.545 2.257 0.570) 2.391 4.821 ( -0.350 1.191 -1.074) 1.641 4.853 ( -0.815 2.554 -2.056) 3.379 4.957 ( -0.354 1.413 2.672) 3.043 5.128 ( 1.042 3.372 -4.331) 5.586 5.223 ( -0.252 1.664 3.828) 4.182 5.332 ( 1.062 -1.705 2.160) 2.949 5.382 ( -1.189 -7.432 -1.011) 7.594 5.445 ( -0.115 -0.401 -2.316) 2.354 5.529 ( 0.138 0.758 -0.120) 0.779 5.610 ( 0.169 2.101 0.148) 2.113 5.690 ( -2.483 -4.665 -1.522) 5.499 5.896 ( 1.100 0.418 3.714) 3.896 6.067 ( -1.239 -1.040 -0.396) 1.666 6.270 ( -0.384 1.892 1.878) 2.694 6.304 ( 0.464 5.352 -1.660) 5.622 6.474 ( 0.140 1.428 0.109) 1.439 6.497 ( 0.147 2.591 0.131) 2.599======================= Grid point 422 (175/219) =======================q-point: ( 0.36 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -0.086 0.140 -0.268) 0.314 0.947 ( 0.991 0.086 0.325) 1.047 1.166 ( -2.316 -7.367 -1.989) 7.974 1.199 ( -1.499 -4.427 -1.250) 4.838 1.245 ( -3.227 -1.098 0.315) 3.423 1.291 ( -1.935 -4.594 2.203) 5.450 1.553 ( 3.447 -3.492 -0.433) 4.926 1.597 ( 0.216 -5.863 -2.437) 6.354 1.649 ( 0.938 -7.334 1.023) 7.465 1.862 ( -0.328 -3.595 -0.983) 3.742 2.101 ( 0.098 1.618 3.147) 3.540 2.141 ( -0.779 1.666 -0.409) 1.885 2.212 ( 0.323 0.259 0.667) 0.785 2.274 ( 0.040 -3.434 -5.864) 6.796 2.453 ( -1.431 -4.975 -4.333) 6.751 2.602 ( 0.374 -8.679 1.552) 8.825 2.627 ( -0.305 -3.888 4.274) 5.786 2.775 ( 0.023 -5.473 4.209) 6.905 2.843 ( -0.151 -7.171 2.191) 7.500 2.948 ( -1.421 -7.437 0.055) 7.572 3.416 ( -0.676 0.286 -4.928) 4.982 4.359 ( 0.447 -4.652 0.530) 4.703 4.406 ( 1.051 -3.156 -1.208) 3.539 4.479 ( -0.374 -0.455 -0.845) 1.030 4.492 ( 0.042 -0.587 0.175) 0.614 4.568 ( 0.236 1.262 0.514) 1.383 4.576 ( -0.791 1.924 -0.483) 2.136 4.717 ( -0.518 -1.973 -0.722) 2.164 4.803 ( 0.562 0.263 0.446) 0.764 4.836 ( 0.561 0.794 0.891) 1.319 5.014 ( -0.156 -4.675 1.179) 4.823 5.087 ( 0.728 -1.002 -4.500) 4.668 5.220 ( 0.979 0.022 2.555) 2.736 5.366 ( 1.045 -0.748 1.757) 2.177 5.442 ( 0.547 0.772 -3.242) 3.378 5.485 ( 0.918 -3.575 0.815) 3.780 5.543 ( -0.310 1.199 -0.131) 1.245 5.593 ( 1.079 -2.251 1.009) 2.692 5.780 ( -0.878 -5.046 -1.839) 5.442 5.927 ( 1.101 -1.400 4.212) 4.573 6.085 ( -1.312 -1.346 -0.050) 1.880 6.185 ( -0.631 4.418 -2.441) 5.087 6.272 ( -0.557 0.327 2.129) 2.225 6.455 ( -0.226 1.053 -0.290) 1.115 6.470 ( -0.044 -0.079 0.101) 0.135======================= Grid point 423 (176/219) =======================q-point: ( 0.43 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 0.354 0.289 0.004) 0.457 0.946 ( 1.622 0.889 0.258) 1.868 1.206 ( -0.654 -0.578 0.004) 0.873 1.230 ( -0.018 0.821 0.210) 0.847 1.332 ( -4.426 -7.843 -2.358) 9.309 1.368 ( 0.061 -4.263 0.790) 4.336 1.631 ( 2.322 -3.274 0.503) 4.046 1.687 ( 0.302 -3.351 -0.458) 3.396 1.791 ( -0.129 -6.233 0.827) 6.289 1.898 ( -0.550 -1.181 -2.522) 2.839 2.053 ( -1.848 3.230 4.018) 5.477 2.100 ( -0.397 1.736 -2.195) 2.826 2.186 ( -0.229 1.908 0.231) 1.935 2.290 ( 0.107 0.151 -2.943) 2.949 2.516 ( -1.100 -3.392 -2.194) 4.187 2.653 ( -0.692 0.495 1.571) 1.786 2.769 ( -0.750 -6.605 0.190) 6.651 2.853 ( -0.548 -2.970 4.759) 5.636 2.961 ( 0.448 -5.205 4.283) 6.755 3.076 ( -1.435 -6.424 -3.233) 7.334 3.395 ( -0.638 0.469 -3.951) 4.030 4.376 ( 0.228 1.420 0.103) 1.442 4.422 ( 0.908 3.607 0.449) 3.747 4.473 ( 0.966 -1.685 -2.439) 3.118 4.509 ( 0.281 -0.846 -0.044) 0.892 4.556 ( -0.679 -1.520 1.324) 2.127 4.594 ( -1.610 -2.943 -1.579) 3.708 4.724 ( -0.679 -0.580 -0.981) 1.326 4.802 ( 0.662 0.470 1.753) 1.932 4.822 ( 0.281 0.321 1.147) 1.224 5.056 ( -0.151 -1.391 0.765) 1.595 5.120 ( 0.903 -0.310 -2.284) 2.475 5.226 ( 0.824 0.603 1.799) 2.069 5.381 ( -0.223 0.443 -2.234) 2.289 5.400 ( 1.626 2.145 -1.541) 3.101 5.523 ( 0.936 -0.232 0.922) 1.334 5.552 ( 0.860 -2.248 1.089) 2.642 5.638 ( 0.921 -0.750 2.763) 3.008 5.830 ( -0.048 -0.407 -2.295) 2.332 5.941 ( 0.739 1.289 2.242) 2.690 6.083 ( -0.427 2.078 -1.476) 2.584 6.128 ( -1.282 0.083 -0.399) 1.345 6.262 ( -0.126 1.290 1.757) 2.183 6.442 ( -0.223 0.108 -0.079) 0.260 6.476 ( -0.161 -0.145 -0.152) 0.265======================= Grid point 424 (177/219) =======================q-point: ( 0.50 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 0.476 0.187 -0.182) 0.543 0.928 ( 1.184 1.759 0.381) 2.155 1.201 ( -0.636 0.693 -0.200) 0.962 1.211 ( 0.538 1.025 0.295) 1.195 1.408 ( 0.493 -2.497 -0.484) 2.591 1.488 ( -0.733 -7.236 -0.165) 7.275 1.695 ( -0.926 -0.141 1.493) 1.762 1.711 ( 0.785 -1.503 -0.871) 1.906 1.844 ( -0.528 1.067 1.433) 1.864 1.917 ( -0.784 -1.968 -1.393) 2.535 2.018 ( -1.332 -0.192 1.084) 1.728 2.067 ( 0.055 1.091 -2.534) 2.759 2.146 ( -0.179 1.702 -0.890) 1.929 2.278 ( -0.063 0.354 -0.187) 0.405 2.564 ( -1.335 -2.229 -1.250) 2.884 2.619 ( 0.093 2.024 0.726) 2.153 2.851 ( -0.702 -2.955 0.072) 3.038 2.916 ( -0.096 -2.479 3.733) 4.482 3.073 ( 0.422 -5.134 3.896) 6.459 3.145 ( -0.728 -1.988 -3.878) 4.418 3.380 ( -0.459 0.029 -2.159) 2.208 4.350 ( 0.321 1.313 -0.120) 1.357 4.357 ( 0.166 2.562 0.020) 2.567 4.500 ( 0.521 -1.026 -1.176) 1.645 4.525 ( 0.428 -0.727 0.315) 0.900 4.603 ( -0.466 -2.265 1.173) 2.593 4.636 ( -1.028 -2.358 -1.668) 3.066 4.732 ( -0.434 -0.637 -0.794) 1.107 4.801 ( 0.237 0.364 1.349) 1.417 4.845 ( -0.067 -2.464 1.109) 2.703 5.052 ( 0.735 3.657 0.762) 3.807 5.125 ( 0.271 -2.377 -1.818) 3.005 5.217 ( 0.145 0.899 2.280) 2.455 5.309 ( -0.146 3.831 -3.312) 5.066 5.419 ( 1.298 -1.383 0.065) 1.898 5.557 ( 0.226 -1.958 -0.609) 2.063 5.577 ( 0.196 -0.560 0.506) 0.779 5.661 ( 1.216 -0.693 4.093) 4.326 5.772 ( -0.016 5.669 -1.554) 5.878 5.924 ( 0.085 0.477 -0.999) 1.110 6.017 ( -0.355 3.426 -0.465) 3.476 6.136 ( -0.597 -0.842 0.129) 1.041 6.234 ( 0.154 1.592 1.082) 1.931 6.445 ( -0.115 -0.366 0.161) 0.416 6.470 ( -0.082 0.520 -0.218) 0.570======================= Grid point 425 (178/219) =======================q-point: (-0.43 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( -0.159 -0.112 -0.560) 0.593 0.901 ( 0.044 1.198 0.470) 1.288 1.188 ( -0.391 -0.077 -0.009) 0.399 1.202 ( 0.321 0.195 0.038) 0.377 1.440 ( 1.624 -0.024 1.132) 1.979 1.580 ( -1.002 0.841 0.149) 1.317 1.652 ( -0.161 -1.517 -0.403) 1.577 1.779 ( -0.003 -2.252 -0.266) 2.268 1.788 ( -0.069 2.703 0.280) 2.719 1.941 ( -0.586 -0.773 -0.896) 1.320 2.027 ( 0.108 -0.541 -0.079) 0.557 2.052 ( -0.671 -0.415 -0.423) 0.896 2.130 ( -0.094 -0.048 -0.473) 0.484 2.276 ( 0.031 -0.045 0.196) 0.203 2.562 ( -1.548 0.317 -2.005) 2.553 2.623 ( 2.016 -1.129 1.547) 2.781 2.886 ( 0.489 -0.641 0.228) 0.838 2.946 ( 0.524 0.375 2.313) 2.401 3.122 ( -0.606 2.611 -3.756) 4.614 3.164 ( 0.418 -2.606 2.984) 3.983 3.381 ( -0.210 -0.614 -0.368) 0.746 4.331 ( -0.158 -0.111 -0.026) 0.195 4.338 ( 0.028 0.332 0.014) 0.333 4.514 ( -0.063 -0.333 -0.315) 0.462 4.533 ( 0.454 0.334 1.307) 1.423 4.621 ( -0.241 0.305 -0.769) 0.862 4.663 ( 0.011 -0.922 -0.174) 0.938 4.739 ( -0.277 -0.324 -0.335) 0.542 4.796 ( 0.111 0.340 0.110) 0.374 4.896 ( -0.062 -0.361 0.109) 0.382 4.983 ( 0.350 1.005 0.314) 1.110 5.168 ( -0.005 -0.480 0.126) 0.496 5.199 ( -0.089 1.179 -0.132) 1.190 5.267 ( 0.202 -1.272 0.068) 1.290 5.438 ( 0.517 0.673 1.104) 1.392 5.555 ( -0.847 -0.758 -1.779) 2.112 5.636 ( -1.539 3.294 -1.024) 3.777 5.647 ( 0.484 0.575 0.840) 1.128 5.674 ( 0.756 -0.861 0.220) 1.166 5.922 ( -0.328 -0.588 -0.595) 0.898 5.979 ( 0.018 -0.119 0.151) 0.193 6.146 ( 0.015 -0.281 -0.088) 0.295 6.219 ( 0.421 0.106 0.635) 0.770 6.451 ( 0.044 0.027 0.269) 0.274 6.463 ( 0.037 -0.182 -0.159) 0.245======================= Grid point 426 (179/219) =======================q-point: (-0.36 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.885 ( -0.456 0.048 0.193) 0.498 0.902 ( -0.927 -0.935 -0.351) 1.362 1.200 ( -0.235 -1.051 -0.306) 1.119 1.209 ( 0.023 -0.787 0.168) 0.805 1.421 ( 0.455 2.807 0.962) 3.002 1.503 ( 0.653 4.405 0.550) 4.487 1.698 ( 0.612 3.991 -0.678) 4.094 1.710 ( -0.221 -0.709 0.726) 1.038 1.839 ( 0.211 -1.451 -1.165) 1.873 1.925 ( -0.276 1.104 -0.138) 1.146 2.026 ( 0.873 0.692 -2.077) 2.357 2.083 ( -0.442 -2.376 3.077) 3.913 2.149 ( -0.252 -2.202 -0.818) 2.363 2.283 ( -0.149 -0.874 0.582) 1.060 2.541 ( -0.817 0.994 -1.994) 2.373 2.672 ( 2.484 -2.064 1.534) 3.576 2.871 ( 1.005 2.897 0.476) 3.103 2.916 ( 1.073 3.413 0.770) 3.660 3.027 ( -0.633 5.460 -4.066) 6.837 3.187 ( 0.585 1.481 2.429) 2.904 3.399 ( -0.052 -1.200 1.108) 1.634 4.342 ( -0.450 -1.104 0.066) 1.194 4.355 ( -0.077 -2.190 -0.082) 2.193 4.506 ( -0.132 0.894 0.793) 1.202 4.524 ( -0.036 1.217 2.282) 2.587 4.593 ( 0.138 1.969 -2.682) 3.330 4.665 ( 0.665 1.095 0.754) 1.487 4.741 ( -0.322 -0.049 0.198) 0.381 4.791 ( 0.496 0.229 -0.684) 0.876 4.842 ( 0.334 3.250 -0.592) 3.321 5.035 ( -0.449 -3.321 -0.091) 3.352 5.138 ( -0.121 1.799 2.148) 2.805 5.195 ( -0.237 -0.319 -2.027) 2.066 5.338 ( 0.400 -4.482 2.161) 4.991 5.406 ( -0.587 2.264 1.162) 2.612 5.525 ( -1.814 3.736 -1.829) 4.538 5.579 ( 0.341 -0.338 -0.748) 0.889 5.606 ( -1.046 1.682 -1.886) 2.735 5.774 ( -0.301 -5.688 -0.073) 5.697 5.919 ( -0.712 0.663 0.041) 0.973 6.027 ( 0.238 -4.048 0.538) 4.091 6.146 ( 0.493 0.318 -0.338) 0.676 6.237 ( 0.618 -1.357 0.278) 1.517 6.447 ( 0.143 0.232 0.065) 0.280 6.474 ( 0.129 -0.610 0.128) 0.637======================= Grid point 427 (180/219) =======================q-point: (-0.29 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( -0.001 -0.785 0.060) 0.787 0.915 ( -1.177 -0.912 -0.137) 1.495 1.212 ( 0.430 0.068 -0.525) 0.682 1.222 ( -0.669 -0.405 0.279) 0.830 1.367 ( 0.251 2.588 -0.093) 2.602 1.430 ( 3.009 4.717 0.581) 5.625 1.601 ( -0.797 5.774 1.247) 5.961 1.683 ( -0.240 4.005 -0.218) 4.018 1.778 ( -0.340 5.867 -1.186) 5.995 1.938 ( 0.751 1.132 3.824) 4.058 2.023 ( -0.110 -2.413 -5.317) 5.841 2.135 ( 0.840 -1.754 2.272) 2.991 2.184 ( 0.114 -1.698 -1.076) 2.013 2.316 ( -0.529 -1.967 3.250) 3.836 2.512 ( -0.300 1.039 -2.194) 2.446 2.690 ( 1.895 2.876 1.565) 3.783 2.778 ( 0.212 7.360 -0.135) 7.365 2.847 ( 1.191 4.193 -0.866) 4.444 2.916 ( -0.677 4.646 -3.363) 5.775 3.121 ( 0.887 6.175 1.420) 6.398 3.429 ( 0.103 -1.441 1.947) 2.425 4.376 ( 0.150 -1.893 0.085) 1.901 4.398 ( -1.018 -2.134 -0.331) 2.387 4.491 ( -0.070 1.464 3.955) 4.218 4.505 ( -0.055 0.337 -0.156) 0.376 4.546 ( 0.136 1.661 -3.058) 3.482 4.632 ( 0.906 2.869 0.863) 3.130 4.739 ( -0.166 0.135 0.380) 0.436 4.788 ( 0.519 0.078 -0.240) 0.577 4.811 ( -0.087 0.005 -0.901) 0.905 5.052 ( 0.070 0.923 -0.492) 1.049 5.134 ( -0.087 0.169 3.204) 3.209 5.193 ( -0.820 -0.119 -2.166) 2.319 5.356 ( -1.187 1.748 -0.418) 2.154 5.427 ( 0.174 -2.120 2.912) 3.607 5.481 ( -1.195 -1.212 -2.354) 2.905 5.539 ( -0.210 2.187 0.044) 2.198 5.606 ( -0.439 0.111 -1.429) 1.499 5.840 ( -0.300 -0.681 1.195) 1.408 5.899 ( -0.949 0.640 -2.444) 2.698 6.107 ( 0.419 -2.888 1.937) 3.503 6.143 ( 0.426 -0.511 -1.147) 1.326 6.266 ( 0.708 -0.938 -0.054) 1.176 6.447 ( 0.151 -0.180 0.079) 0.248 6.480 ( 0.138 0.156 0.111) 0.236======================= Grid point 428 (181/219) =======================q-point: (-0.21 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 0.442 -0.299 0.148) 0.554 0.924 ( -0.896 -0.752 -0.243) 1.195 1.179 ( 0.080 4.206 -0.119) 4.208 1.208 ( -0.398 2.424 0.271) 2.472 1.323 ( 1.964 2.975 -0.525) 3.603 1.345 ( 3.438 6.111 0.524) 7.032 1.495 ( -2.344 3.932 1.127) 4.714 1.564 ( -1.271 6.489 -2.044) 6.921 1.666 ( 0.185 5.838 2.119) 6.213 1.871 ( 0.362 5.719 -0.182) 5.733 2.072 ( -0.353 -2.065 -1.454) 2.550 2.155 ( 0.360 -0.180 0.056) 0.406 2.206 ( 0.059 0.473 -0.340) 0.586 2.339 ( 0.190 1.410 6.530) 6.683 2.488 ( 0.133 1.254 -2.653) 2.938 2.581 ( 1.441 9.241 0.549) 9.369 2.619 ( -0.419 8.003 -0.711) 8.046 2.730 ( -0.691 8.355 -3.195) 8.972 2.830 ( 0.094 4.462 -0.865) 4.546 2.973 ( 0.656 9.782 0.390) 9.812 3.455 ( 0.213 -0.686 1.810) 1.947 4.344 ( -0.452 5.667 -0.212) 5.689 4.408 ( -0.039 2.416 0.924) 2.587 4.487 ( -0.306 -0.123 1.159) 1.205 4.491 ( 0.353 1.035 -1.020) 1.496 4.555 ( -0.274 -1.479 -0.626) 1.629 4.595 ( 0.465 -0.735 0.374) 0.946 4.723 ( -0.084 3.134 -0.004) 3.135 4.802 ( 0.254 -1.201 0.804) 1.468 4.819 ( -0.377 -1.078 -0.907) 1.459 5.012 ( 0.164 3.991 -0.282) 4.004 5.123 ( 0.114 0.769 4.813) 4.875 5.177 ( -0.712 0.445 -3.519) 3.618 5.320 ( -1.032 1.114 -1.492) 2.128 5.441 ( -0.754 -0.468 0.218) 0.914 5.488 ( 0.368 1.656 0.905) 1.923 5.552 ( 0.494 -2.473 -0.072) 2.523 5.570 ( -0.742 2.517 -0.113) 2.626 5.809 ( 0.391 3.823 2.062) 4.361 5.867 ( -0.833 1.334 -3.795) 4.108 6.110 ( 0.782 1.387 0.293) 1.619 6.199 ( -0.140 -3.768 0.256) 3.779 6.279 ( 0.618 -0.579 -0.129) 0.857 6.460 ( 0.075 -1.185 0.091) 1.191 6.471 ( 0.072 0.598 -0.001) 0.602======================= Grid point 429 (182/219) =======================q-point: (-0.14 0.07 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( 0.901 1.360 -0.035) 1.632 0.923 ( -0.966 1.605 -0.416) 1.919 1.044 ( -0.217 8.771 2.114) 9.024 1.089 ( 0.492 10.152 -1.569) 10.285 1.238 ( 0.558 6.343 -0.277) 6.374 1.258 ( 0.856 4.593 -0.037) 4.672 1.449 ( -0.769 0.534 0.304) 0.985 1.490 ( -0.358 0.143 -0.698) 0.797 1.559 ( 0.320 6.082 2.454) 6.566 1.739 ( 0.045 7.866 -1.449) 7.999 2.062 ( -0.166 3.902 0.517) 3.940 2.108 ( -0.442 10.802 -0.312) 10.816 2.161 ( -0.154 -0.280 -0.197) 0.375 2.241 ( 0.693 10.571 4.333) 11.446 2.407 ( 0.861 9.971 -0.768) 10.038 2.423 ( -0.274 5.573 -1.752) 5.848 2.500 ( -0.545 4.335 0.481) 4.396 2.540 ( -0.623 8.496 -2.561) 8.895 2.727 ( 1.297 6.408 1.690) 6.753 2.777 ( -1.062 9.556 -2.053) 9.831 3.462 ( 0.091 0.294 1.024) 1.069 4.135 ( -0.238 18.105 -0.164) 18.108 4.343 ( -0.030 3.635 0.259) 3.644 4.412 ( -0.006 17.551 -0.527) 17.559 4.440 ( -0.111 4.143 0.290) 4.155 4.490 ( 0.370 12.975 0.756) 13.003 4.532 ( -0.538 7.389 -0.646) 7.437 4.652 ( 0.152 -3.131 -0.065) 3.135 4.834 ( 0.132 -1.385 0.330) 1.430 4.876 ( 0.086 -6.581 0.719) 6.621 4.946 ( 0.186 1.535 -0.737) 1.713 5.150 ( -0.207 -0.646 2.508) 2.598 5.192 ( -0.054 -5.094 -2.256) 5.571 5.301 ( -0.363 0.555 -0.640) 0.922 5.396 ( 0.091 6.420 0.041) 6.421 5.468 ( 0.218 0.322 0.697) 0.798 5.525 ( -0.081 -1.273 -0.124) 1.281 5.607 ( -0.039 -1.988 -0.027) 1.988 5.744 ( 0.989 2.484 0.999) 2.854 5.850 ( -0.500 -0.893 -1.642) 1.934 6.087 ( 0.382 1.229 0.109) 1.292 6.262 ( 0.047 -2.910 -0.575) 2.967 6.310 ( -0.119 -2.582 0.540) 2.640 6.472 ( -0.012 -1.085 -0.014) 1.085 6.494 ( -0.042 -2.357 -0.029) 2.358======================= Grid point 430 (183/219) =======================q-point: (-0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( -0.000 11.822 0.000) 11.822 0.814 ( -0.000 11.435 0.000) 11.435 0.920 ( -0.000 3.014 0.000) 3.014 0.948 ( -0.000 3.502 -0.000) 3.502 1.115 ( 0.000 6.557 -0.000) 6.557 1.147 ( -0.000 7.495 -0.000) 7.495 1.426 ( 0.000 7.168 -0.000) 7.168 1.449 ( -0.000 0.277 0.000) 0.277 1.540 ( 0.000 -3.311 0.000) 3.311 1.573 ( -0.000 9.295 0.000) 9.295 1.802 ( -0.000 18.683 0.000) 18.683 1.835 ( 0.000 19.181 -0.000) 19.181 2.092 ( -0.000 3.857 -0.000) 3.857 2.124 ( 0.000 17.033 0.000) 17.033 2.180 ( -0.000 -0.589 0.000) 0.589 2.347 ( 0.000 11.263 0.000) 11.263 2.365 ( -0.000 2.713 0.000) 2.713 2.393 ( -0.000 7.327 -0.000) 7.327 2.623 ( -0.000 5.699 -0.000) 5.699 2.670 ( -0.000 0.719 0.000) 0.719 3.457 ( -0.000 0.240 0.000) 0.240 3.526 ( 0.000 46.982 -0.000) 46.982 3.762 ( 0.000 41.433 0.000) 41.433 4.194 ( -0.000 26.811 -0.000) 26.811 4.285 ( -0.000 3.127 0.000) 3.127 4.370 ( 0.000 3.221 0.000) 3.221 4.410 ( 0.000 2.815 -0.000) 2.815 4.703 ( -0.000 -2.024 0.000) 2.024 4.858 ( -0.000 -1.002 0.000) 1.002 4.920 ( 0.000 0.898 0.000) 0.898 5.030 ( -0.000 -7.425 0.000) 7.425 5.170 ( 0.000 -1.810 -0.000) 1.810 5.271 ( 0.000 2.644 0.000) 2.644 5.278 ( -0.000 4.068 -0.000) 4.068 5.320 ( -0.000 -6.355 -0.000) 6.355 5.506 ( 0.000 -4.430 -0.000) 4.430 5.578 ( -0.000 -3.275 0.000) 3.275 5.640 ( -0.000 -1.810 0.000) 1.810 5.753 ( -0.000 -3.591 0.000) 3.591 5.892 ( 0.000 -3.743 0.000) 3.743 6.068 ( 0.000 0.854 0.000) 0.854 6.314 ( -0.000 -2.654 0.000) 2.654 6.372 ( -0.000 -3.913 -0.000) 3.913 6.518 ( -0.000 -3.734 0.000) 3.734 6.548 ( 0.000 -3.146 0.000) 3.146======================= Grid point 434 (184/219) =======================q-point: ( 0.14 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.419 ( -1.812 -0.000 -0.939) 2.041 0.507 ( 9.622 0.000 -6.929) 11.857 0.608 ( 5.872 0.000 -12.470) 13.783 0.615 ( 4.223 0.000 12.943) 13.614 0.830 ( 3.052 0.000 9.382) 9.866 0.944 ( 2.730 0.000 -3.952) 4.803 1.048 ( 1.490 0.000 -13.691) 13.772 1.090 ( -2.483 -0.000 1.278) 2.793 1.181 ( -0.334 -0.000 0.051) 0.338 1.312 ( -6.458 -0.000 -6.108) 8.889 1.468 ( 1.902 0.000 -0.006) 1.902 1.526 ( -5.374 -0.000 -1.310) 5.532 1.684 ( 0.843 0.000 5.500) 5.565 1.825 ( 1.983 0.000 -0.979) 2.211 1.952 ( -0.361 -0.000 -1.371) 1.418 2.048 ( 0.070 0.000 0.791) 0.794 2.116 ( 4.371 0.000 9.523) 10.479 2.176 ( 0.013 0.000 -0.180) 0.180 2.382 ( 0.351 0.000 2.902) 2.923 2.561 ( 1.904 0.000 -0.994) 2.148 2.607 ( 0.353 0.000 0.055) 0.358 2.779 ( -3.836 -0.000 -5.687) 6.860 2.874 ( -2.249 -0.000 5.693) 6.121 3.457 ( 0.540 0.000 -3.767) 3.806 4.219 ( -0.078 -0.000 0.001) 0.078 4.315 ( -0.163 -0.000 -0.021) 0.165 4.349 ( -0.319 -0.000 0.021) 0.320 4.715 ( -2.697 -0.000 -1.438) 3.057 4.820 ( -4.019 -0.000 -4.646) 6.143 4.896 ( -1.133 -0.000 -0.593) 1.279 5.156 ( 0.862 0.000 1.466) 1.701 5.188 ( -0.309 -0.000 -0.047) 0.313 5.209 ( -0.197 -0.000 0.055) 0.205 5.261 ( -0.040 -0.000 0.819) 0.820 5.419 ( -1.749 -0.000 -3.570) 3.975 5.620 ( -3.758 -0.000 0.920) 3.869 5.635 ( -3.439 -0.000 -2.050) 4.004 5.676 ( -10.211 -0.000 -11.156) 15.123 5.693 ( -1.412 -0.000 0.630) 1.546 6.056 ( -1.532 -0.000 2.279) 2.746 6.077 ( 0.115 0.000 0.567) 0.578 6.367 ( 1.761 0.000 -4.080) 4.444 6.583 ( 0.406 0.000 1.454) 1.509 6.620 ( 0.451 0.000 0.993) 1.091 6.730 ( 4.091 0.000 4.176) 5.846======================= Grid point 435 (185/219) =======================q-point: ( 0.21 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.593 ( 6.119 -6.505 -6.084) 10.806 0.699 ( 1.865 -5.554 9.036) 10.769 0.819 ( 5.562 -12.572 -6.585) 15.243 0.930 ( 1.348 -2.200 1.904) 3.206 0.997 ( 1.062 -7.698 -1.722) 7.959 1.007 ( 1.582 -8.053 0.575) 8.227 1.204 ( -2.748 -13.352 -9.320) 16.513 1.226 ( -2.112 -4.406 -7.381) 8.852 1.339 ( -1.378 -17.084 2.147) 17.274 1.457 ( -4.339 -10.233 2.438) 11.379 1.518 ( -1.925 -10.810 -0.628) 10.998 1.631 ( 0.590 -0.656 0.916) 1.271 1.873 ( 2.249 -5.438 -2.848) 6.537 2.049 ( -0.857 -11.548 -0.981) 11.621 2.111 ( 1.274 -13.157 0.250) 13.221 2.179 ( 2.573 -8.418 5.140) 10.193 2.307 ( -1.177 -31.084 5.129) 31.526 2.328 ( 2.294 -5.208 -0.856) 5.755 2.419 ( 1.098 0.591 6.093) 6.219 2.594 ( -0.176 -40.994 0.651) 40.999 2.661 ( 0.112 -2.020 -3.948) 4.436 2.956 ( -2.403 -16.365 4.375) 17.110 3.434 ( -0.852 -4.658 -1.713) 5.035 3.510 ( -6.314 -42.694 10.311) 44.373 4.250 ( 0.624 -2.580 0.348) 2.677 4.327 ( -0.048 -1.421 -0.103) 1.426 4.383 ( 0.666 -3.399 0.895) 3.577 4.696 ( -2.942 -0.213 -2.349) 3.770 4.797 ( -4.011 -0.780 -4.061) 5.761 4.882 ( -1.117 0.720 -0.688) 1.496 5.145 ( 0.752 2.173 1.642) 2.825 5.196 ( -1.915 0.589 -2.255) 3.016 5.221 ( -0.271 -2.414 -0.249) 2.442 5.241 ( 0.415 1.364 1.553) 2.108 5.371 ( -2.459 2.206 -6.985) 7.727 5.556 ( -4.460 3.395 -4.738) 7.339 5.594 ( -5.019 0.184 0.897) 5.102 5.619 ( -1.200 2.019 -3.977) 4.619 5.676 ( -0.369 1.445 1.249) 1.945 6.011 ( -0.706 4.002 3.673) 5.478 6.070 ( 0.261 0.710 0.038) 0.757 6.345 ( 1.417 2.125 -3.667) 4.469 6.546 ( 0.822 4.051 1.225) 4.311 6.587 ( 0.573 3.377 0.988) 3.565 6.673 ( 3.796 6.977 2.058) 8.205======================= Grid point 436 (186/219) =======================q-point: ( 0.29 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( 0.222 -9.130 -3.968) 9.957 0.832 ( 0.810 -5.785 1.293) 5.983 0.952 ( -0.212 -0.110 0.756) 0.793 0.983 ( 2.872 -6.375 0.107) 6.993 1.127 ( -0.455 -4.672 0.627) 4.736 1.145 ( -0.102 -5.734 0.389) 5.748 1.294 ( -3.375 -6.811 -9.472) 12.145 1.382 ( -1.853 -7.697 -2.994) 8.464 1.499 ( -2.161 -2.453 2.200) 3.940 1.629 ( 1.089 -9.969 3.852) 10.743 1.786 ( 3.230 -16.160 -6.187) 17.602 1.858 ( -0.433 -17.627 1.832) 17.728 2.027 ( 1.588 -8.489 -2.456) 8.979 2.174 ( 1.632 -3.978 -3.009) 5.248 2.284 ( 0.723 -0.991 3.271) 3.494 2.331 ( -0.876 -10.899 1.190) 10.999 2.397 ( 0.999 -10.932 -0.154) 10.979 2.423 ( 0.094 -2.076 5.152) 5.555 2.584 ( 1.462 -0.978 -0.170) 1.768 2.788 ( 1.642 -3.817 7.642) 8.698 3.410 ( 0.039 -3.280 -6.677) 7.439 3.535 ( -0.005 -43.433 0.589) 43.437 3.677 ( -3.938 -47.147 -1.899) 47.349 4.202 ( -2.055 -24.078 8.165) 25.507 4.303 ( 1.024 -2.450 0.032) 2.656 4.372 ( 0.344 -3.216 -0.624) 3.294 4.471 ( 1.444 -4.208 2.469) 5.088 4.683 ( -1.003 0.913 -0.085) 1.359 4.807 ( -3.543 -3.032 -2.153) 5.136 4.857 ( -1.780 0.759 -0.549) 2.011 5.057 ( -0.969 6.589 0.768) 6.704 5.177 ( -2.826 -1.117 0.978) 3.192 5.211 ( -0.129 1.948 -5.569) 5.901 5.283 ( 0.365 -3.490 0.251) 3.518 5.324 ( 0.614 0.777 0.084) 0.994 5.461 ( -1.535 3.335 -2.467) 4.424 5.565 ( -0.257 2.439 -1.752) 3.014 5.598 ( -3.401 -2.767 -0.587) 4.424 5.646 ( -0.225 1.673 0.745) 1.845 5.945 ( 0.640 3.237 3.779) 5.017 6.057 ( -0.318 0.546 -0.609) 0.877 6.299 ( 0.165 2.045 -1.490) 2.536 6.447 ( 1.842 7.397 0.989) 7.686 6.524 ( 0.545 3.397 0.793) 3.531 6.568 ( 1.203 4.996 0.093) 5.140======================= Grid point 437 (187/219) =======================q-point: ( 0.36 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( -0.806 -3.377 0.633) 3.529 0.928 ( -2.763 -4.186 -5.419) 7.385 0.967 ( -0.146 -4.762 -0.491) 4.790 1.120 ( -0.031 -5.597 3.209) 6.452 1.191 ( -2.349 -4.005 1.318) 4.827 1.214 ( -1.757 -2.211 0.748) 2.921 1.418 ( -1.829 -9.336 -8.679) 12.878 1.499 ( 2.176 -5.131 -0.582) 5.604 1.561 ( 1.334 -3.981 3.393) 5.398 1.778 ( 0.642 -5.324 0.907) 5.439 2.074 ( 1.425 -10.544 -3.307) 11.142 2.111 ( -0.534 -5.258 -1.657) 5.538 2.159 ( 1.557 -7.075 1.209) 7.345 2.202 ( 1.471 0.626 0.553) 1.692 2.340 ( -0.858 -4.940 -3.831) 6.310 2.443 ( 0.086 -5.235 1.000) 5.331 2.558 ( -0.944 -7.472 3.611) 8.353 2.641 ( -0.010 -11.664 2.718) 11.976 2.654 ( 0.704 -7.053 -0.245) 7.092 2.864 ( 0.394 -2.706 6.943) 7.462 3.402 ( -0.521 -0.068 -6.296) 6.318 4.161 ( 0.810 -19.417 0.480) 19.440 4.339 ( 0.029 -6.676 -0.807) 6.725 4.413 ( -0.959 -12.453 -2.456) 12.729 4.445 ( 0.723 -10.846 1.869) 11.029 4.474 ( 1.053 -8.051 -0.422) 8.130 4.569 ( 0.694 -4.941 1.232) 5.140 4.645 ( -0.605 1.644 0.888) 1.964 4.813 ( -0.335 0.698 -1.034) 1.291 4.836 ( -0.899 1.011 -1.691) 2.165 4.964 ( -0.693 1.679 2.735) 3.283 5.122 ( 1.418 4.006 -3.976) 5.819 5.232 ( -1.545 -1.234 3.762) 4.249 5.343 ( -0.780 -2.386 -0.125) 2.513 5.371 ( 0.591 -6.377 -0.095) 6.405 5.438 ( 0.458 -1.661 -1.800) 2.492 5.528 ( -0.003 0.431 -0.623) 0.757 5.612 ( 0.201 2.002 0.165) 2.019 5.660 ( -2.233 -5.325 -1.092) 5.876 5.922 ( 0.992 0.299 3.076) 3.246 6.053 ( -1.205 -0.861 -0.453) 1.549 6.274 ( -0.402 0.718 1.700) 1.888 6.303 ( 0.506 7.550 -1.199) 7.661 6.476 ( 0.236 1.824 0.176) 1.848 6.499 ( 0.149 2.727 0.159) 2.735======================= Grid point 438 (188/219) =======================q-point: ( 0.43 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 0.073 -0.018 -0.394) 0.401 0.955 ( 0.341 -0.927 0.057) 0.989 1.107 ( -5.570 -9.793 -3.903) 11.923 1.184 ( -1.000 -2.307 0.148) 2.519 1.231 ( -0.769 -0.747 0.448) 1.162 1.288 ( -0.945 -5.080 2.831) 5.892 1.566 ( -0.309 -7.492 -3.620) 8.326 1.596 ( 2.810 -4.099 -0.750) 5.026 1.672 ( 1.549 -5.896 3.034) 6.809 1.852 ( -0.373 -2.750 -2.070) 3.462 2.112 ( -0.496 2.254 2.530) 3.424 2.131 ( -0.684 1.880 -0.783) 2.148 2.218 ( 0.546 0.334 -0.560) 0.850 2.259 ( 0.420 -2.956 -1.333) 3.270 2.420 ( -1.142 -4.753 -4.558) 6.683 2.604 ( -0.027 -9.864 0.068) 9.864 2.648 ( 0.284 -2.082 4.247) 4.738 2.791 ( -0.495 -5.379 4.114) 6.790 2.848 ( -0.230 -9.196 1.031) 9.256 2.938 ( -1.262 -4.750 2.018) 5.313 3.385 ( -0.826 0.049 -5.773) 5.832 4.364 ( 0.227 -4.177 0.402) 4.203 4.414 ( 1.233 -3.384 -0.627) 3.656 4.470 ( -0.544 -1.391 -1.155) 1.888 4.494 ( 0.076 -0.391 0.124) 0.417 4.564 ( -0.655 2.283 -0.342) 2.399 4.576 ( 0.465 2.182 0.402) 2.267 4.707 ( -0.797 -1.509 -0.721) 1.853 4.813 ( 0.869 -0.339 0.643) 1.133 4.845 ( 0.503 0.379 0.902) 1.100 5.020 ( -0.054 -4.851 1.780) 5.167 5.077 ( 0.977 -1.044 -4.083) 4.326 5.241 ( 0.937 0.184 2.684) 2.849 5.371 ( -0.589 -0.885 -0.676) 1.260 5.439 ( 1.553 0.759 -2.400) 2.957 5.501 ( 1.287 -4.222 1.225) 4.580 5.540 ( -0.199 0.735 -0.074) 0.765 5.610 ( 1.119 -2.583 1.434) 3.159 5.761 ( -1.298 -5.583 -2.180) 6.132 5.952 ( 0.724 -1.524 3.185) 3.604 6.073 ( -1.197 -1.585 0.164) 1.993 6.165 ( -0.961 5.196 -2.620) 5.898 6.281 ( 0.021 0.088 2.678) 2.679 6.452 ( -0.241 1.026 -0.334) 1.105 6.471 ( 0.002 0.219 0.135) 0.257======================= Grid point 439 (189/219) =======================q-point: ( 0.50 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( 0.430 0.111 0.096) 0.455 0.963 ( 1.432 0.746 0.259) 1.636 1.194 ( -1.767 -1.373 -0.641) 2.327 1.230 ( -0.166 -0.056 0.194) 0.261 1.284 ( -3.091 -8.854 -1.967) 9.582 1.377 ( 0.646 -4.168 1.345) 4.427 1.657 ( 2.013 -2.540 0.940) 3.375 1.688 ( 0.414 -3.787 -0.805) 3.894 1.792 ( 0.018 -5.115 0.536) 5.143 1.882 ( -0.682 -1.562 -2.187) 2.773 2.044 ( -2.446 3.587 2.095) 4.821 2.089 ( -0.387 1.849 -1.548) 2.442 2.185 ( -0.072 2.400 -0.201) 2.410 2.282 ( 0.137 -0.063 -0.844) 0.857 2.487 ( -1.767 -4.100 -3.539) 5.697 2.660 ( 0.257 1.450 1.821) 2.342 2.763 ( -0.766 -6.347 0.253) 6.398 2.874 ( -0.053 -3.005 6.252) 6.936 2.984 ( 0.455 -5.301 4.229) 6.796 3.046 ( -1.398 -6.567 -4.108) 7.871 3.369 ( -0.819 -0.081 -4.208) 4.288 4.380 ( 0.402 1.376 0.241) 1.453 4.431 ( 0.593 4.265 0.244) 4.313 4.475 ( 0.820 -2.119 -1.168) 2.555 4.512 ( 0.559 -1.039 -0.406) 1.248 4.554 ( -0.559 -1.274 0.524) 1.487 4.571 ( -1.523 -2.937 -1.286) 3.550 4.714 ( -0.687 -0.682 -0.630) 1.155 4.816 ( 0.698 0.619 1.419) 1.698 4.831 ( 0.403 0.479 1.162) 1.320 5.057 ( -0.127 -1.601 0.654) 1.734 5.121 ( 0.932 -0.243 -1.643) 1.905 5.242 ( 0.752 0.866 2.181) 2.464 5.361 ( -0.560 1.864 -3.907) 4.365 5.415 ( 1.775 0.753 -0.177) 1.936 5.533 ( 0.660 -0.548 0.276) 0.901 5.565 ( 0.671 -1.469 0.939) 1.868 5.661 ( 1.064 -1.223 3.327) 3.701 5.815 ( -0.522 -0.743 -3.095) 3.226 5.954 ( 0.316 2.155 1.470) 2.628 6.072 ( -0.469 2.096 -1.244) 2.482 6.113 ( -1.181 -0.858 -0.292) 1.489 6.272 ( 0.399 1.555 2.112) 2.653 6.440 ( -0.200 0.009 -0.068) 0.211 6.474 ( -0.116 -0.128 -0.115) 0.208======================= Grid point 440 (190/219) =======================q-point: ( 0.57 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( 0.368 0.418 -0.105) 0.567 0.940 ( 0.927 2.191 0.243) 2.392 1.193 ( -0.682 0.389 -0.217) 0.815 1.218 ( 0.507 1.059 0.262) 1.203 1.416 ( 1.137 -4.512 0.133) 4.655 1.481 ( -0.563 -6.998 0.132) 7.022 1.690 ( -1.064 2.161 0.805) 2.539 1.716 ( 0.683 -2.009 -0.275) 2.140 1.845 ( -0.573 0.162 1.544) 1.654 1.898 ( -1.166 -1.490 -2.416) 3.069 2.009 ( -1.015 -0.660 0.437) 1.287 2.054 ( -0.333 0.985 -2.212) 2.444 2.141 ( -0.104 1.520 -0.675) 1.666 2.278 ( -0.043 0.216 0.293) 0.367 2.537 ( -1.797 -2.267 -2.063) 3.553 2.632 ( 1.018 1.231 1.022) 1.897 2.846 ( -0.470 -3.307 0.233) 3.349 2.939 ( 0.622 -2.092 5.197) 5.637 3.091 ( -0.050 -4.528 2.521) 5.183 3.122 ( -0.409 -2.669 -3.482) 4.407 3.365 ( -0.582 -0.590 -2.177) 2.329 4.352 ( 0.199 1.951 -0.125) 1.965 4.359 ( 0.157 2.271 0.042) 2.277 4.501 ( 0.537 -0.697 -0.515) 1.020 4.531 ( 0.446 -0.979 0.514) 1.192 4.602 ( -0.586 -2.263 0.818) 2.477 4.619 ( -0.743 -2.975 -1.878) 3.596 4.725 ( -0.407 -0.782 -0.564) 1.047 4.808 ( 0.225 0.705 0.980) 1.228 4.850 ( 0.088 -2.101 1.014) 2.335 5.062 ( 0.617 3.852 0.977) 4.022 5.120 ( 0.221 -2.724 -1.589) 3.161 5.229 ( 0.079 1.202 2.776) 3.026 5.292 ( -0.030 3.310 -3.746) 5.000 5.434 ( 1.420 -1.285 0.673) 2.031 5.551 ( -0.348 0.451 -1.099) 1.238 5.581 ( 0.248 -1.941 0.367) 1.990 5.689 ( 0.685 0.008 4.192) 4.248 5.762 ( -0.136 5.046 -2.756) 5.751 5.919 ( -0.152 1.175 -1.026) 1.568 6.012 ( -0.326 3.063 -0.297) 3.095 6.132 ( -0.445 -1.091 0.131) 1.186 6.243 ( 0.455 1.747 1.254) 2.199 6.445 ( -0.063 -0.491 0.238) 0.550 6.469 ( -0.040 0.505 -0.207) 0.548======================= Grid point 441 (191/219) =======================q-point: (-0.36 0.14 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( -0.151 0.346 -0.435) 0.575 0.903 ( 0.011 1.591 0.325) 1.624 1.185 ( -0.322 -0.121 -0.001) 0.344 1.205 ( 0.245 0.342 0.040) 0.422 1.469 ( 2.753 0.381 1.663) 3.239 1.566 ( -1.935 1.221 0.118) 2.291 1.648 ( -0.215 -2.870 -0.604) 2.940 1.777 ( -0.004 -3.296 -0.277) 3.308 1.788 ( -0.077 4.128 0.300) 4.140 1.928 ( -0.890 -1.546 -1.365) 2.247 2.028 ( 0.214 -1.111 -0.177) 1.145 2.043 ( -0.795 -0.640 -0.344) 1.077 2.126 ( -0.116 0.121 -0.534) 0.560 2.277 ( 0.024 -0.031 0.195) 0.198 2.545 ( -0.688 0.045 -1.018) 1.230 2.643 ( 1.211 -1.570 0.439) 2.031 2.893 ( 0.512 -1.213 0.160) 1.326 2.968 ( 1.021 0.766 3.752) 3.963 3.098 ( -0.802 2.555 -3.842) 4.683 3.180 ( 0.404 -2.572 2.250) 3.441 3.376 ( -0.302 -1.121 -0.521) 1.272 4.329 ( -0.165 -0.187 -0.021) 0.250 4.338 ( -0.001 0.600 0.001) 0.600 4.513 ( 0.002 -0.258 -0.175) 0.312 4.545 ( 0.592 0.102 1.769) 1.869 4.613 ( -0.418 0.588 -1.350) 1.531 4.663 ( 0.022 -1.582 -0.201) 1.595 4.734 ( -0.320 -0.413 -0.365) 0.638 4.797 ( 0.118 0.486 0.110) 0.512 4.896 ( -0.063 -0.518 0.134) 0.539 4.989 ( 0.426 1.646 0.395) 1.745 5.169 ( -0.002 -1.020 0.185) 1.037 5.197 ( -0.116 2.209 -0.192) 2.220 5.270 ( 0.281 -2.283 0.117) 2.303 5.452 ( 0.891 1.524 1.881) 2.580 5.535 ( -1.137 -1.411 -2.425) 3.028 5.615 ( -1.483 5.572 -1.236) 5.897 5.656 ( 0.413 -2.306 0.924) 2.518 5.681 ( 0.492 1.954 0.004) 2.015 5.916 ( -0.365 -0.998 -0.656) 1.249 5.980 ( 0.021 -0.264 0.168) 0.314 6.146 ( 0.018 -0.477 -0.101) 0.488 6.228 ( 0.489 0.163 0.731) 0.894 6.453 ( 0.067 0.119 0.440) 0.461 6.462 ( 0.037 -0.397 -0.301) 0.499======================= Grid point 442 (192/219) =======================q-point: (-0.29 0.14 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( -0.304 -0.072 0.083) 0.323 0.894 ( -0.471 -0.541 -0.165) 0.736 1.198 ( -0.094 -1.176 -0.185) 1.194 1.209 ( -0.065 -0.592 0.111) 0.606 1.427 ( 0.157 3.895 0.418) 3.920 1.512 ( 0.579 3.009 0.562) 3.115 1.702 ( 0.596 4.149 -0.319) 4.203 1.710 ( -0.245 -1.048 0.529) 1.199 1.837 ( 0.063 -1.054 -0.742) 1.291 1.921 ( -0.352 0.044 -0.300) 0.464 2.025 ( 0.421 1.377 -1.262) 1.915 2.093 ( -0.101 -3.527 2.642) 4.408 2.140 ( -0.411 -2.135 -1.532) 2.659 2.283 ( -0.156 -0.875 0.226) 0.917 2.529 ( -0.301 1.076 -0.942) 1.461 2.696 ( 1.335 -2.516 0.594) 2.909 2.881 ( 0.610 3.055 0.191) 3.121 2.935 ( 1.143 3.791 2.414) 4.637 3.003 ( -0.710 5.488 -3.605) 6.604 3.200 ( 0.379 1.426 1.343) 1.995 3.401 ( -0.139 -1.583 0.503) 1.666 4.339 ( -0.273 -1.020 0.039) 1.056 4.354 ( -0.062 -2.100 -0.082) 2.103 4.506 ( -0.073 0.637 0.079) 0.646 4.539 ( 0.280 1.539 3.707) 4.023 4.579 ( -0.136 1.935 -3.489) 3.992 4.672 ( 0.327 0.702 0.344) 0.847 4.737 ( -0.378 -0.147 -0.132) 0.427 4.795 ( 0.483 -0.024 -0.134) 0.502 4.843 ( 0.234 3.547 -0.270) 3.565 5.032 ( -0.197 -3.112 0.038) 3.119 5.147 ( 0.017 1.463 1.953) 2.440 5.184 ( -0.211 -0.002 -1.824) 1.837 5.350 ( 0.378 -4.606 1.361) 4.818 5.406 ( -0.267 2.593 0.918) 2.764 5.501 ( -1.385 4.124 -1.603) 4.636 5.574 ( -0.042 -2.136 -1.457) 2.586 5.596 ( -0.303 3.566 0.008) 3.579 5.770 ( -0.216 -5.597 -0.184) 5.604 5.913 ( -0.499 1.003 -0.102) 1.125 6.031 ( 0.147 -4.253 0.358) 4.270 6.149 ( 0.257 0.233 -0.282) 0.446 6.244 ( 0.450 -1.331 0.357) 1.449 6.449 ( 0.090 0.220 0.075) 0.249 6.476 ( 0.084 -0.650 0.061) 0.659======================= Grid point 443 (193/219) =======================q-point: (-0.21 0.14 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 0.122 -1.048 0.034) 1.055 0.906 ( -0.540 -0.772 -0.057) 0.944 1.214 ( 0.529 -0.012 -0.671) 0.855 1.218 ( -0.647 -0.267 0.588) 0.914 1.368 ( 0.094 2.098 -0.011) 2.100 1.451 ( 1.014 3.912 -0.001) 4.042 1.602 ( -0.081 6.420 0.832) 6.474 1.680 ( -0.143 4.684 -0.230) 4.692 1.771 ( -0.193 5.340 -0.519) 5.368 1.962 ( 0.640 2.375 3.691) 4.435 1.999 ( -0.427 -3.522 -4.198) 5.496 2.150 ( 0.439 -1.153 1.199) 1.720 2.180 ( -0.048 -2.369 -0.749) 2.485 2.321 ( -0.299 -2.841 1.202) 3.099 2.503 ( -0.093 1.209 -1.004) 1.574 2.709 ( 0.757 2.912 0.740) 3.098 2.779 ( 0.018 7.721 -0.088) 7.721 2.857 ( 0.791 5.478 0.350) 5.545 2.897 ( -0.557 3.955 -1.771) 4.369 3.131 ( 0.323 6.131 0.477) 6.158 3.435 ( 0.006 -1.701 0.658) 1.824 4.378 ( 0.299 -2.712 0.104) 2.731 4.388 ( -0.627 -1.144 -0.181) 1.317 4.504 ( -0.023 -0.008 -0.023) 0.033 4.510 ( 0.218 1.855 3.732) 4.174 4.531 ( -0.161 1.563 -3.448) 3.789 4.640 ( 0.307 2.817 0.286) 2.848 4.737 ( -0.163 -0.086 -0.018) 0.185 4.795 ( 0.573 0.544 0.545) 0.959 4.805 ( -0.257 -0.114 -0.746) 0.797 5.051 ( 0.023 0.805 -0.172) 0.823 5.148 ( 0.264 -0.186 2.532) 2.553 5.176 ( -0.568 0.249 -2.101) 2.191 5.347 ( -0.434 2.258 -0.163) 2.305 5.437 ( -0.014 0.309 1.299) 1.336 5.465 ( -0.406 -3.960 -1.177) 4.151 5.538 ( -0.054 2.138 0.059) 2.139 5.598 ( -0.153 -0.007 -0.532) 0.554 5.842 ( -0.109 -1.377 0.570) 1.494 5.884 ( -0.393 1.515 -1.097) 1.911 6.118 ( 0.213 -4.072 1.245) 4.264 6.140 ( 0.073 0.491 -1.018) 1.132 6.271 ( 0.292 -0.908 0.075) 0.956 6.448 ( 0.056 -0.180 0.033) 0.192 6.482 ( 0.052 0.155 0.040) 0.168======================= Grid point 444 (194/219) =======================q-point: (-0.14 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( 0.000 -0.005 0.000) 0.005 0.917 ( -0.000 -1.137 -0.000) 1.137 1.179 ( -0.000 4.246 0.000) 4.246 1.206 ( -0.000 2.199 0.000) 2.199 1.332 ( -0.000 2.577 0.000) 2.577 1.364 ( 0.000 6.068 0.000) 6.068 1.486 ( 0.000 4.424 -0.000) 4.424 1.552 ( -0.000 6.800 0.000) 6.800 1.672 ( -0.000 5.334 -0.000) 5.334 1.873 ( 0.000 6.172 0.000) 6.172 2.067 ( -0.000 -2.245 -0.000) 2.245 2.156 ( -0.000 0.044 -0.000) 0.044 2.205 ( -0.000 0.648 0.000) 0.648 2.357 ( -0.000 0.531 -0.000) 0.531 2.479 ( 0.000 1.327 0.000) 1.327 2.601 ( -0.000 10.492 -0.000) 10.492 2.607 ( 0.000 6.971 -0.000) 6.971 2.718 ( -0.000 9.157 0.000) 9.157 2.829 ( -0.000 4.108 0.000) 4.108 2.978 ( -0.000 10.011 -0.000) 10.011 3.460 ( 0.000 -0.754 -0.000) 0.754 4.341 ( 0.000 5.805 0.000) 5.805 4.410 ( 0.000 2.262 0.000) 2.262 4.489 ( -0.000 1.357 0.000) 1.357 4.489 ( 0.000 -0.267 -0.000) 0.267 4.552 ( 0.000 -1.575 0.000) 1.575 4.599 ( 0.000 -0.647 0.000) 0.647 4.722 ( 0.000 3.264 0.000) 3.264 4.808 ( 0.000 -1.459 0.000) 1.459 4.813 ( 0.000 -0.862 -0.000) 0.862 5.013 ( 0.000 3.850 -0.000) 3.850 5.140 ( -0.000 0.610 -0.000) 0.610 5.160 ( -0.000 0.640 0.000) 0.640 5.312 ( 0.000 1.161 -0.000) 1.161 5.438 ( -0.000 -0.495 0.000) 0.495 5.492 ( 0.000 1.461 0.000) 1.461 5.555 ( -0.000 -3.456 0.000) 3.456 5.565 ( -0.000 3.353 0.000) 3.353 5.817 ( -0.000 3.744 -0.000) 3.744 5.852 ( -0.000 1.188 0.000) 1.188 6.115 ( 0.000 1.465 0.000) 1.465 6.199 ( -0.000 -3.761 -0.000) 3.761 6.282 ( 0.000 -0.598 -0.000) 0.598 6.461 ( 0.000 -1.192 0.000) 1.192 6.472 ( 0.000 0.661 0.000) 0.661======================= Grid point 450 (195/219) =======================q-point: ( 0.21 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( -1.487 -0.000 -1.059) 1.826 0.582 ( 9.868 0.000 -4.165) 10.711 0.628 ( 7.696 0.000 -9.747) 12.419 0.717 ( 5.665 0.000 10.805) 12.200 0.893 ( 2.580 0.000 6.390) 6.891 0.943 ( 3.598 0.000 -12.275) 12.791 1.008 ( 2.083 0.000 -11.072) 11.267 1.073 ( -2.214 -0.000 1.808) 2.858 1.175 ( -1.087 -0.000 0.293) 1.126 1.220 ( -7.920 -0.000 -2.510) 8.308 1.460 ( -5.984 -0.000 -1.579) 6.189 1.489 ( 2.134 0.000 -0.090) 2.136 1.726 ( 0.683 0.000 9.497) 9.521 1.839 ( 2.678 0.000 -2.994) 4.017 1.944 ( -0.218 -0.000 -1.229) 1.249 2.051 ( -0.092 -0.000 0.649) 0.656 2.176 ( 0.075 0.000 -0.232) 0.244 2.206 ( 4.791 0.000 9.581) 10.712 2.396 ( -0.081 -0.000 2.454) 2.455 2.572 ( 1.089 0.000 -1.333) 1.721 2.612 ( 0.448 0.000 0.070) 0.454 2.699 ( -4.783 -0.000 -8.463) 9.721 2.893 ( -0.662 -0.000 8.452) 8.478 3.441 ( 0.547 0.000 -5.918) 5.943 4.219 ( -0.093 -0.000 0.003) 0.093 4.313 ( -0.191 -0.000 -0.017) 0.191 4.346 ( -0.415 -0.000 0.015) 0.415 4.654 ( -5.599 -0.000 -8.099) 9.846 4.770 ( -2.142 -0.000 -2.655) 3.412 4.884 ( -0.668 -0.000 -0.754) 1.007 5.170 ( 0.775 0.000 1.052) 1.306 5.185 ( -0.374 -0.000 -0.044) 0.376 5.207 ( -0.264 -0.000 0.055) 0.270 5.246 ( -3.934 -0.000 -2.908) 4.892 5.352 ( -2.444 -0.000 -11.523) 11.779 5.533 ( -3.836 -0.000 -2.490) 4.573 5.603 ( -3.653 -0.000 2.652) 4.514 5.629 ( -0.573 -0.000 -3.080) 3.133 5.693 ( -0.379 -0.000 1.479) 1.527 6.056 ( -0.972 -0.000 3.493) 3.626 6.080 ( -0.036 -0.000 0.672) 0.673 6.367 ( 1.981 0.000 -4.626) 5.032 6.579 ( -0.708 -0.000 -1.008) 1.232 6.632 ( 0.745 0.000 0.744) 1.053 6.791 ( 3.307 0.000 5.965) 6.821======================= Grid point 451 (196/219) =======================q-point: ( 0.29 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.631 ( 6.172 -3.956 -4.805) 8.766 0.747 ( 2.526 -5.036 2.618) 6.213 0.856 ( 6.041 -9.295 -3.788) 11.715 0.941 ( -0.289 -1.505 0.859) 1.757 1.004 ( 1.246 -9.439 -0.692) 9.546 1.025 ( 2.519 -7.653 -1.236) 8.151 1.132 ( -1.757 -12.181 -10.648) 16.274 1.171 ( -4.386 -2.843 -3.398) 6.234 1.339 ( -1.134 -18.463 3.070) 18.751 1.426 ( -3.397 -6.866 1.364) 7.781 1.496 ( -2.011 -17.852 -0.279) 17.967 1.645 ( 0.999 -2.084 1.901) 2.993 1.880 ( 2.209 -5.102 -4.120) 6.920 2.039 ( -0.301 -10.252 -1.033) 10.309 2.116 ( 0.029 -12.828 0.186) 12.829 2.224 ( 2.259 -17.945 3.101) 18.350 2.306 ( 0.056 -10.625 -1.331) 10.708 2.368 ( 1.512 -16.432 8.250) 18.449 2.456 ( 0.994 -1.518 5.744) 6.024 2.595 ( -0.241 -41.471 0.622) 41.477 2.642 ( 0.148 -2.227 -4.804) 5.297 2.958 ( -2.005 -10.364 6.991) 12.661 3.411 ( -1.584 -6.840 -3.289) 7.753 3.483 ( -7.936 -43.996 9.549) 45.715 4.258 ( 0.567 -3.048 0.533) 3.146 4.326 ( -0.030 -1.518 -0.149) 1.526 4.394 ( 0.568 -4.707 1.338) 4.926 4.632 ( -4.969 -2.815 -8.301) 10.076 4.752 ( -2.101 0.380 -1.958) 2.897 4.870 ( -0.670 0.949 -0.718) 1.365 5.140 ( -4.616 3.598 -7.273) 9.336 5.160 ( 0.585 1.489 0.917) 1.844 5.218 ( -0.128 -3.002 -0.335) 3.023 5.250 ( -0.051 -0.642 1.482) 1.616 5.318 ( -0.154 0.346 -6.958) 6.968 5.511 ( -1.447 1.570 -1.486) 2.602 5.564 ( -3.186 1.558 2.406) 4.286 5.602 ( -0.521 1.688 -1.905) 2.598 5.679 ( -0.243 1.480 1.242) 1.947 6.024 ( -0.026 3.359 4.074) 5.281 6.072 ( 0.089 0.890 0.153) 0.908 6.342 ( 1.363 2.303 -4.077) 4.877 6.546 ( -0.340 2.791 -0.800) 2.923 6.600 ( 0.795 3.346 1.124) 3.618 6.723 ( 3.480 8.429 3.316) 9.703======================= Grid point 452 (197/219) =======================q-point: ( 0.36 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.737 ( 0.315 -6.382 -4.151) 7.620 0.847 ( 1.740 -4.032 -0.415) 4.411 0.948 ( -1.376 -0.106 1.005) 1.707 1.011 ( 2.639 -6.710 -0.336) 7.218 1.117 ( -1.650 -3.314 0.088) 3.703 1.145 ( -0.711 -5.008 0.913) 5.140 1.217 ( -4.006 -6.722 -8.368) 11.457 1.360 ( 0.041 -10.537 -2.266) 10.778 1.492 ( -1.518 -4.734 2.630) 5.624 1.657 ( 1.574 -9.817 2.620) 10.282 1.786 ( 1.336 -15.914 -4.643) 16.631 1.870 ( 1.478 -16.501 1.539) 16.638 2.037 ( 1.981 -9.463 -1.711) 9.818 2.179 ( 1.828 -4.449 -2.383) 5.368 2.287 ( -0.807 -3.570 -0.780) 3.742 2.330 ( -0.643 -6.417 1.270) 6.573 2.410 ( 0.959 -10.379 1.037) 10.474 2.444 ( 0.136 -0.683 4.213) 4.270 2.607 ( 2.374 -1.212 1.140) 2.899 2.839 ( 1.374 -3.679 9.152) 9.959 3.378 ( -0.077 -3.370 -7.722) 8.426 3.536 ( -0.085 -43.147 0.182) 43.147 3.629 ( -3.936 -49.429 -1.611) 49.611 4.224 ( -1.204 -25.383 9.415) 27.099 4.314 ( 0.791 -2.437 0.637) 2.640 4.372 ( 0.238 -3.180 -0.803) 3.288 4.494 ( 1.004 -3.905 2.369) 4.677 4.671 ( -1.310 -1.329 -0.384) 1.905 4.753 ( -5.040 -5.531 -2.633) 7.932 4.841 ( -1.036 1.339 -0.626) 1.804 5.022 ( -4.763 4.196 -4.416) 7.733 5.142 ( -1.480 -0.904 -1.297) 2.165 5.212 ( 1.769 4.670 -1.178) 5.131 5.287 ( 0.336 -3.983 0.097) 3.998 5.332 ( 0.827 -1.329 0.271) 1.588 5.439 ( -0.920 3.143 -1.892) 3.782 5.554 ( -0.138 1.485 -2.159) 2.624 5.574 ( -2.095 -1.940 1.281) 3.129 5.648 ( -0.159 1.748 0.738) 1.904 5.969 ( 0.867 3.127 3.392) 4.695 6.051 ( -0.268 1.074 -0.548) 1.235 6.294 ( 0.187 1.928 -1.702) 2.578 6.462 ( 0.738 6.700 0.118) 6.742 6.536 ( 0.854 3.857 1.391) 4.188 6.581 ( 1.386 6.670 0.293) 6.819======================= Grid point 453 (198/219) =======================q-point: ( 0.43 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.851 ( -4.615 -7.562 -4.286) 9.841 0.893 ( 0.262 -0.685 -1.930) 2.065 0.968 ( -0.236 -2.591 1.068) 2.812 1.129 ( -0.508 -3.758 1.740) 4.173 1.179 ( -1.475 -5.023 2.007) 5.607 1.202 ( -1.228 -2.475 0.536) 2.815 1.363 ( -1.924 -10.743 -7.446) 13.211 1.519 ( 2.091 -6.295 -0.135) 6.635 1.588 ( 1.085 -4.937 3.244) 6.006 1.785 ( 0.691 -4.099 -0.678) 4.211 2.060 ( -0.130 -10.868 -4.553) 11.784 2.122 ( 1.546 -4.361 2.220) 5.132 2.178 ( 1.595 -5.607 0.275) 5.836 2.221 ( 1.264 0.276 2.033) 2.409 2.316 ( -0.501 -4.664 -4.214) 6.306 2.452 ( 0.660 -4.629 1.299) 4.853 2.556 ( -1.805 -9.498 1.758) 9.827 2.632 ( -0.175 -11.520 -1.765) 11.656 2.679 ( 0.924 -5.261 3.345) 6.302 2.900 ( 0.137 -1.361 7.957) 8.073 3.367 ( -0.561 -0.034 -6.906) 6.929 4.170 ( 0.655 -19.799 0.363) 19.813 4.332 ( -0.486 -11.533 -1.221) 11.608 4.391 ( -1.032 -8.378 -2.191) 8.721 4.461 ( 0.991 -12.677 1.130) 12.766 4.489 ( 1.709 -3.867 0.740) 4.292 4.582 ( 0.956 -4.726 1.506) 5.052 4.643 ( -0.612 1.287 1.055) 1.773 4.805 ( -0.338 0.145 -0.878) 0.952 4.821 ( -0.739 -0.078 -1.121) 1.345 4.964 ( -1.569 -0.040 2.114) 2.633 5.121 ( 1.612 4.448 -3.320) 5.779 5.221 ( -3.391 -6.289 2.610) 7.606 5.330 ( -0.105 -0.505 -1.583) 1.665 5.386 ( 1.403 -5.675 1.148) 5.957 5.437 ( 0.591 -2.786 -1.263) 3.116 5.524 ( -0.139 0.134 -0.959) 0.979 5.615 ( 0.198 1.676 -0.025) 1.688 5.637 ( -1.750 -5.019 -0.531) 5.342 5.941 ( 0.652 0.468 2.008) 2.163 6.040 ( -0.964 -0.647 -0.422) 1.235 6.278 ( -0.184 -0.282 1.314) 1.357 6.304 ( 0.410 9.167 -0.527) 9.191 6.480 ( 0.292 2.377 0.216) 2.404 6.501 ( 0.118 2.776 0.159) 2.783======================= Grid point 454 (199/219) =======================q-point: ( 0.50 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( 0.208 -0.460 -0.632) 0.808 0.948 ( -1.797 -4.043 -0.890) 4.513 1.045 ( -3.447 -7.232 -2.339) 8.346 1.176 ( -0.799 -2.236 0.096) 2.376 1.227 ( -0.357 -1.400 0.255) 1.467 1.296 ( -0.126 -5.268 2.850) 5.990 1.540 ( -1.122 -9.455 -3.734) 10.228 1.625 ( 2.835 -3.663 -0.000) 4.632 1.701 ( 1.345 -5.337 3.182) 6.357 1.837 ( -0.495 -2.105 -2.733) 3.485 2.113 ( -0.890 3.597 1.427) 3.971 2.121 ( -0.461 1.333 -1.055) 1.761 2.219 ( 0.646 0.097 -1.124) 1.300 2.268 ( 0.615 -1.525 2.272) 2.805 2.391 ( -0.842 -4.150 -4.192) 5.958 2.606 ( 0.236 -9.453 0.194) 9.458 2.665 ( 0.185 -2.109 2.363) 3.173 2.801 ( -0.890 -6.367 3.665) 7.400 2.845 ( -0.282 -10.495 -1.199) 10.567 2.943 ( -0.661 -2.190 4.266) 4.841 3.352 ( -0.804 -0.178 -5.559) 5.620 4.368 ( 0.166 -4.043 0.253) 4.054 4.422 ( 0.737 -3.170 -0.101) 3.256 4.459 ( -0.487 -2.502 -1.320) 2.870 4.495 ( 0.119 -0.325 0.174) 0.388 4.558 ( -0.347 3.328 -0.022) 3.346 4.583 ( 0.785 2.717 0.231) 2.838 4.696 ( -0.916 -1.446 -0.508) 1.785 4.824 ( 0.917 -0.864 0.491) 1.352 4.853 ( 0.269 -0.055 0.771) 0.818 5.029 ( -0.012 -4.912 2.361) 5.450 5.070 ( 0.979 -0.954 -3.732) 3.974 5.262 ( 0.778 0.203 3.093) 3.196 5.354 ( -1.047 -1.317 -2.621) 3.114 5.447 ( 1.424 0.982 -1.589) 2.349 5.520 ( 1.205 -4.616 1.212) 4.922 5.538 ( -0.099 0.350 0.038) 0.366 5.628 ( 1.196 -3.137 1.884) 3.850 5.736 ( -1.627 -5.847 -2.648) 6.622 5.968 ( 0.269 -1.772 1.941) 2.642 6.063 ( -0.927 -1.939 0.235) 2.162 6.146 ( -0.837 6.183 -1.918) 6.528 6.294 ( 0.381 -0.216 2.390) 2.429 6.448 ( -0.201 1.072 -0.302) 1.132 6.471 ( 0.025 0.446 0.123) 0.463======================= Grid point 455 (200/219) =======================q-point: ( 0.57 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.904 ( 0.398 0.060 0.154) 0.430 0.976 ( 0.964 0.498 0.194) 1.102 1.167 ( -2.392 -4.265 -1.134) 5.019 1.230 ( 0.125 -2.116 0.102) 2.122 1.256 ( -1.463 -5.979 -0.904) 6.222 1.391 ( 0.889 -4.284 1.456) 4.611 1.673 ( 0.384 -4.004 0.388) 4.041 1.690 ( 0.949 -2.773 -0.607) 2.993 1.799 ( 0.839 -3.192 0.683) 3.370 1.864 ( -1.090 -2.085 -1.900) 3.024 2.028 ( -1.934 3.655 0.933) 4.239 2.078 ( -0.511 2.090 -1.178) 2.453 2.184 ( 0.084 2.783 -0.148) 2.788 2.283 ( 0.123 0.163 0.439) 0.484 2.456 ( -1.432 -4.211 -2.927) 5.325 2.670 ( 0.398 1.539 0.980) 1.867 2.757 ( -0.591 -6.130 0.214) 6.162 2.905 ( 0.392 -3.413 6.744) 7.568 3.005 ( 0.036 -4.654 2.998) 5.536 3.014 ( -0.820 -7.195 -4.447) 8.498 3.344 ( -0.747 -0.556 -3.473) 3.595 4.386 ( 0.440 1.339 0.295) 1.440 4.436 ( 0.287 4.720 -0.000) 4.728 4.477 ( 0.288 -2.756 -0.202) 2.778 4.516 ( 0.808 -0.858 -0.604) 1.324 4.551 ( -0.182 -1.171 -0.709) 1.381 4.554 ( -1.293 -2.767 0.031) 3.054 4.706 ( -0.513 -0.784 -0.321) 0.990 4.827 ( 0.497 0.806 0.864) 1.282 4.839 ( 0.359 0.530 0.905) 1.109 5.059 ( -0.067 -1.721 0.441) 1.778 5.123 ( 0.675 -0.168 -1.007) 1.224 5.260 ( 0.654 1.099 2.679) 2.969 5.338 ( -0.492 1.937 -3.948) 4.425 5.430 ( 1.192 0.339 -0.088) 1.243 5.540 ( 0.552 -0.842 0.182) 1.023 5.573 ( 0.242 -0.483 0.403) 0.674 5.686 ( 1.004 -1.563 3.405) 3.879 5.794 ( -0.821 -0.936 -3.440) 3.658 5.961 ( 0.061 2.765 0.767) 2.870 6.063 ( -0.408 2.040 -0.849) 2.247 6.103 ( -0.760 -1.591 -0.003) 1.764 6.285 ( 0.525 1.775 1.658) 2.485 6.438 ( -0.139 -0.109 -0.052) 0.185 6.472 ( -0.065 -0.110 -0.064) 0.143======================= Grid point 456 (201/219) =======================q-point: ( 0.64 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 0.201 0.616 -0.041) 0.649 0.948 ( 0.501 2.526 0.102) 2.577 1.187 ( -0.423 0.045 -0.131) 0.445 1.223 ( 0.315 1.163 0.155) 1.215 1.427 ( 0.693 -8.227 0.086) 8.257 1.480 ( 0.155 -4.888 0.573) 4.924 1.682 ( -0.966 3.774 0.094) 3.897 1.720 ( 0.342 -1.874 0.018) 1.905 1.847 ( -0.402 -1.398 1.677) 2.220 1.876 ( -0.842 -0.194 -2.651) 2.788 2.002 ( -0.509 -1.049 0.128) 1.173 2.043 ( -0.293 0.865 -1.255) 1.552 2.139 ( -0.033 1.448 -0.298) 1.479 2.279 ( -0.026 0.212 0.313) 0.379 2.516 ( -0.935 -2.771 -1.149) 3.142 2.642 ( 0.561 1.066 0.322) 1.247 2.843 ( -0.246 -3.645 0.171) 3.657 2.970 ( 0.916 -1.828 4.753) 5.174 3.082 ( -0.979 -2.871 -2.613) 4.003 3.118 ( 0.417 -4.415 0.796) 4.505 3.351 ( -0.438 -1.063 -1.469) 1.866 4.353 ( 0.114 2.737 -0.080) 2.741 4.360 ( 0.072 1.767 0.039) 1.769 4.505 ( 0.336 -0.403 -0.135) 0.542 4.538 ( 0.331 -1.336 0.466) 1.453 4.598 ( -0.703 -1.879 0.252) 2.022 4.608 ( -0.119 -3.635 -1.162) 3.819 4.720 ( -0.239 -0.841 -0.282) 0.919 4.813 ( 0.123 0.933 0.505) 1.068 4.854 ( 0.104 -1.855 0.606) 1.954 5.071 ( 0.354 4.220 0.785) 4.307 5.116 ( 0.116 -3.215 -1.060) 3.387 5.243 ( 0.018 1.574 3.385) 3.734 5.276 ( 0.033 2.754 -3.962) 4.825 5.450 ( 1.062 -1.643 0.743) 2.092 5.543 ( -0.418 2.198 -0.896) 2.411 5.584 ( 0.091 -2.642 0.134) 2.647 5.711 ( 0.089 1.703 4.037) 4.382 5.747 ( 0.011 3.388 -3.530) 4.893 5.913 ( -0.135 1.762 -0.600) 1.866 6.008 ( -0.182 2.795 -0.116) 2.803 6.129 ( -0.241 -1.244 0.088) 1.270 6.252 ( 0.360 1.863 0.801) 2.059 6.445 ( -0.021 -0.617 0.185) 0.645 6.468 ( -0.013 0.520 -0.136) 0.538======================= Grid point 457 (202/219) =======================q-point: (-0.29 0.21 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.886 ( -0.062 0.618 -0.162) 0.642 0.904 ( -0.000 1.778 0.114) 1.781 1.182 ( -0.118 -0.151 0.001) 0.192 1.207 ( 0.087 0.434 0.018) 0.443 1.504 ( 2.832 1.755 1.219) 3.547 1.543 ( -2.450 0.382 -0.345) 2.503 1.644 ( -0.101 -3.742 -0.316) 3.756 1.776 ( -0.002 -3.624 -0.111) 3.626 1.789 ( -0.032 4.687 0.123) 4.688 1.915 ( -0.453 -2.065 -0.699) 2.227 2.030 ( 0.241 -1.831 -0.183) 1.856 2.036 ( -0.456 -0.350 -0.008) 0.575 2.124 ( -0.053 0.330 -0.223) 0.402 2.278 ( 0.007 -0.000 0.073) 0.073 2.538 ( -0.154 -0.109 -0.251) 0.314 2.651 ( 0.371 -1.844 -0.002) 1.881 2.897 ( 0.194 -1.520 0.045) 1.533 2.993 ( 0.721 0.971 2.435) 2.719 3.076 ( -0.562 2.471 -2.277) 3.407 3.190 ( 0.186 -2.498 0.864) 2.650 3.372 ( -0.152 -1.416 -0.259) 1.447 4.328 ( -0.067 -0.243 -0.007) 0.252 4.338 ( -0.008 0.774 -0.004) 0.774 4.512 ( 0.012 -0.167 -0.051) 0.175 4.557 ( 0.352 -0.366 1.089) 1.201 4.603 ( -0.289 0.957 -0.941) 1.372 4.662 ( 0.012 -1.895 -0.085) 1.897 4.730 ( -0.135 -0.380 -0.147) 0.429 4.799 ( 0.047 0.509 0.042) 0.513 4.896 ( -0.024 -0.531 0.059) 0.534 4.993 ( 0.187 1.903 0.177) 1.920 5.169 ( 0.001 -1.472 0.095) 1.475 5.196 ( -0.054 2.881 -0.098) 2.883 5.273 ( 0.137 -2.845 0.065) 2.849 5.469 ( 0.720 3.027 1.505) 3.456 5.515 ( -0.792 -2.712 -1.683) 3.289 5.600 ( -0.625 6.338 -0.554) 6.392 5.662 ( 0.145 -4.383 0.363) 4.400 5.684 ( 0.170 4.456 -0.031) 4.459 5.911 ( -0.149 -1.197 -0.266) 1.235 5.981 ( 0.009 -0.365 0.070) 0.372 6.146 ( 0.008 -0.572 -0.043) 0.573 6.234 ( 0.206 0.181 0.307) 0.411 6.456 ( 0.040 0.389 0.322) 0.507 6.461 ( 0.007 -0.735 -0.258) 0.779======================= Grid point 458 (203/219) =======================q-point: (-0.21 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.881 ( -0.000 -0.175 0.000) 0.175 0.891 ( -0.000 -0.347 0.000) 0.347 1.197 ( -0.000 -1.228 0.000) 1.228 1.209 ( -0.000 -0.505 0.000) 0.505 1.428 ( -0.000 4.322 0.000) 4.322 1.517 ( -0.000 2.571 0.000) 2.571 1.705 ( -0.000 4.385 0.000) 4.385 1.710 ( 0.000 -1.467 -0.000) 1.467 1.835 ( -0.000 -0.786 0.000) 0.786 1.918 ( 0.000 -0.505 0.000) 0.505 2.024 ( 0.000 1.657 -0.000) 1.657 2.100 ( -0.000 -4.387 -0.000) 4.387 2.133 ( 0.000 -1.698 0.000) 1.698 2.283 ( -0.000 -0.825 0.000) 0.825 2.525 ( -0.000 1.144 0.000) 1.144 2.704 ( 0.000 -2.720 0.000) 2.720 2.885 ( 0.000 3.122 0.000) 3.122 2.950 ( -0.000 3.803 -0.000) 3.803 2.988 ( 0.000 5.622 0.000) 5.622 3.205 ( -0.000 1.429 0.000) 1.429 3.401 ( 0.000 -1.726 0.000) 1.726 4.338 ( 0.000 -0.976 0.000) 0.976 4.353 ( 0.000 -2.081 0.000) 2.081 4.506 ( -0.000 0.601 0.000) 0.601 4.557 ( 0.000 0.941 0.000) 0.941 4.563 ( -0.000 2.580 -0.000) 2.580 4.674 ( 0.000 0.570 0.000) 0.570 4.734 ( -0.000 -0.140 0.000) 0.140 4.797 ( 0.000 -0.216 -0.000) 0.216 4.843 ( -0.000 3.664 0.000) 3.664 5.031 ( 0.000 -3.017 0.000) 3.017 5.153 ( 0.000 1.271 0.000) 1.271 5.178 ( 0.000 0.177 -0.000) 0.177 5.356 ( 0.000 -4.691 0.000) 4.691 5.407 ( -0.000 2.711 0.000) 2.711 5.489 ( -0.000 4.349 -0.000) 4.349 5.570 ( -0.000 -2.553 -0.000) 2.553 5.595 ( 0.000 3.975 0.000) 3.975 5.769 ( -0.000 -5.563 -0.000) 5.563 5.910 ( -0.000 1.124 0.000) 1.124 6.033 ( 0.000 -4.331 0.000) 4.331 6.149 ( 0.000 0.220 -0.000) 0.220 6.247 ( 0.000 -1.328 -0.000) 1.328 6.449 ( 0.000 0.219 0.000) 0.219 6.476 ( -0.000 -0.666 0.000) 0.666======================= Grid point 466 (204/219) =======================q-point: ( 0.29 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.382 ( -1.032 -0.000 -0.436) 1.121 0.646 ( 6.207 0.000 -5.927) 8.582 0.670 ( 8.184 0.000 -7.157) 10.872 0.817 ( 6.567 0.000 6.918) 9.538 0.914 ( 4.947 0.000 -16.534) 17.258 0.935 ( 1.320 0.000 4.012) 4.224 0.990 ( 0.392 0.000 -5.373) 5.387 1.064 ( -1.247 -0.000 1.562) 1.999 1.143 ( -6.563 -0.000 1.096) 6.654 1.162 ( -1.839 -0.000 0.666) 1.956 1.404 ( -4.422 -0.000 0.073) 4.423 1.508 ( 1.947 0.000 -0.148) 1.953 1.768 ( -2.189 -0.000 11.569) 11.774 1.852 ( 2.795 0.000 -3.731) 4.662 1.938 ( 0.047 0.000 -0.761) 0.763 2.051 ( -0.273 -0.000 0.366) 0.457 2.176 ( 0.132 0.000 -0.243) 0.277 2.281 ( 3.802 0.000 3.479) 5.153 2.402 ( -0.278 -0.000 2.258) 2.275 2.566 ( -0.689 -0.000 -1.774) 1.903 2.616 ( 0.458 0.000 0.074) 0.464 2.638 ( -0.539 -0.000 -5.643) 5.669 2.931 ( 0.028 0.000 10.366) 10.366 3.416 ( 0.470 0.000 -7.774) 7.788 4.218 ( -0.087 -0.000 0.004) 0.087 4.311 ( -0.176 -0.000 -0.006) 0.176 4.342 ( -0.433 -0.000 0.002) 0.433 4.558 ( -3.798 -0.000 -11.307) 11.928 4.749 ( -1.058 -0.000 -0.860) 1.364 4.878 ( 0.028 0.000 -0.270) 0.272 5.149 ( -4.440 -0.000 -11.017) 11.878 5.181 ( -0.364 -0.000 -0.031) 0.365 5.187 ( -0.421 -0.000 0.998) 1.083 5.204 ( -0.282 -0.000 0.042) 0.285 5.324 ( 1.584 0.000 -3.195) 3.566 5.516 ( -0.452 -0.000 0.945) 1.048 5.579 ( -3.405 -0.000 2.887) 4.464 5.612 ( -0.568 -0.000 -2.348) 2.416 5.696 ( -0.216 -0.000 1.320) 1.337 6.068 ( 0.013 0.000 4.103) 4.103 6.083 ( 0.015 0.000 0.668) 0.668 6.364 ( 1.543 0.000 -4.832) 5.073 6.567 ( -0.620 -0.000 -1.240) 1.386 6.639 ( 0.491 0.000 0.058) 0.494 6.843 ( 2.217 0.000 5.179) 5.634======================= Grid point 467 (205/219) =======================q-point: ( 0.36 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( 4.706 -2.767 -5.207) 7.544 0.775 ( 4.381 -5.704 -3.897) 8.180 0.887 ( 1.717 -5.204 -1.835) 5.779 0.938 ( -0.322 -1.292 0.324) 1.371 1.011 ( 0.321 -9.496 0.170) 9.502 1.048 ( 2.297 -6.138 -0.274) 6.559 1.085 ( -1.471 -11.761 -5.550) 13.088 1.118 ( -1.988 -3.215 -2.775) 4.689 1.340 ( -0.932 -18.549 1.943) 18.674 1.401 ( -2.614 -6.476 0.303) 6.990 1.479 ( -1.477 -21.317 0.875) 21.386 1.666 ( 1.232 -3.748 2.782) 4.827 1.881 ( 1.821 -5.349 -4.374) 7.145 2.034 ( -0.023 -9.847 -0.884) 9.887 2.117 ( -0.132 -10.350 0.320) 10.356 2.247 ( -0.156 -31.535 2.707) 31.651 2.303 ( 1.695 -4.331 -3.592) 5.877 2.416 ( 0.179 -12.324 8.478) 14.960 2.486 ( 0.675 -2.963 4.353) 5.309 2.594 ( -0.297 -41.793 0.325) 41.795 2.627 ( 0.929 -1.047 -3.989) 4.228 2.977 ( -1.255 -5.876 8.966) 10.793 3.376 ( -2.357 -13.413 -3.543) 14.072 3.441 ( -6.835 -40.057 5.092) 40.954 4.264 ( 0.237 -3.393 0.449) 3.431 4.325 ( -0.021 -1.567 -0.187) 1.578 4.405 ( 0.225 -6.017 1.718) 6.261 4.547 ( -3.034 -3.258 -10.258) 11.182 4.732 ( -1.137 1.097 -0.740) 1.745 4.865 ( 0.009 1.352 -0.068) 1.354 5.056 ( -4.130 3.626 -8.957) 10.509 5.170 ( 0.473 1.781 1.021) 2.107 5.215 ( -0.047 -3.293 -0.278) 3.305 5.254 ( -0.176 -3.213 0.743) 3.302 5.308 ( 1.456 1.598 -2.556) 3.348 5.500 ( -0.458 2.396 -0.127) 2.443 5.549 ( -1.993 1.048 2.246) 3.181 5.589 ( -0.688 1.471 -1.278) 2.067 5.682 ( -0.207 1.546 1.040) 1.875 6.045 ( 0.619 3.105 4.021) 5.118 6.074 ( 0.081 1.081 0.176) 1.098 6.335 ( 0.904 2.347 -4.038) 4.757 6.539 ( -0.377 2.383 -0.960) 2.596 6.610 ( 0.510 2.956 0.550) 3.049 6.767 ( 2.535 8.957 3.022) 9.787======================= Grid point 468 (206/219) =======================q-point: ( 0.43 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( 0.619 -2.971 -3.713) 4.795 0.863 ( 2.475 -2.748 -2.187) 4.296 0.933 ( -2.607 -1.193 1.324) 3.158 1.031 ( 1.864 -7.301 -0.798) 7.577 1.099 ( -2.017 -2.901 0.221) 3.540 1.135 ( -2.397 -3.954 -0.778) 4.689 1.151 ( -2.482 -7.145 -4.410) 8.755 1.362 ( 1.514 -11.103 -0.947) 11.245 1.492 ( -0.859 -6.374 2.471) 6.889 1.683 ( 1.888 -9.566 1.442) 9.857 1.773 ( -0.364 -15.830 -2.970) 16.110 1.897 ( 2.451 -15.889 1.025) 16.110 2.049 ( 1.648 -10.732 -1.136) 10.917 2.190 ( 2.011 -4.707 -1.395) 5.305 2.270 ( -1.526 -5.624 -1.246) 5.959 2.327 ( -0.497 -4.438 -0.088) 4.467 2.421 ( 0.416 -8.027 0.841) 8.081 2.464 ( 0.369 0.438 3.552) 3.598 2.634 ( 2.144 -1.664 0.848) 2.843 2.893 ( 1.102 -3.146 9.294) 9.873 3.343 ( -0.176 -3.071 -7.587) 8.187 3.535 ( -0.110 -43.394 -0.154) 43.395 3.588 ( -3.184 -51.103 -1.061) 51.213 4.260 ( 0.269 -27.871 9.099) 29.320 4.324 ( 0.260 -3.723 1.795) 4.141 4.370 ( 0.002 -3.151 -0.836) 3.260 4.511 ( 0.649 -3.494 1.985) 4.070 4.640 ( -4.400 -10.459 -3.815) 11.971 4.699 ( -2.600 -0.330 -1.452) 2.996 4.832 ( -0.417 1.761 -0.211) 1.822 4.947 ( -4.507 3.317 -6.576) 8.635 5.137 ( 0.148 1.405 0.152) 1.421 5.225 ( 1.484 5.225 -0.218) 5.436 5.290 ( 0.232 -4.311 0.015) 4.317 5.342 ( 0.844 -3.026 0.275) 3.154 5.425 ( -0.524 3.461 -1.103) 3.671 5.545 ( 0.144 1.368 -1.961) 2.395 5.563 ( -1.492 -1.558 1.646) 2.713 5.649 ( -0.159 1.784 0.574) 1.881 5.991 ( 0.860 3.399 2.585) 4.357 6.047 ( -0.172 1.487 -0.446) 1.562 6.288 ( 0.097 1.617 -1.484) 2.198 6.465 ( 0.197 5.748 -0.250) 5.757 6.550 ( 0.643 3.750 1.150) 3.975 6.597 ( 1.276 8.632 0.491) 8.740======================= Grid point 469 (207/219) =======================q-point: ( 0.50 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.785 ( -4.052 -6.070 -4.406) 8.525 0.893 ( 0.476 -0.741 -0.629) 1.082 0.970 ( -0.318 -2.628 0.992) 2.827 1.126 ( -0.850 -2.712 0.616) 2.908 1.174 ( -1.257 -4.623 1.345) 4.976 1.200 ( 0.322 -4.284 1.118) 4.439 1.317 ( -1.684 -11.687 -5.235) 12.916 1.537 ( 1.526 -7.027 0.056) 7.191 1.609 ( 0.656 -5.617 2.475) 6.173 1.787 ( 0.563 -2.886 -1.233) 3.188 2.040 ( -0.374 -10.376 -2.738) 10.737 2.150 ( 1.777 -3.449 2.696) 4.724 2.191 ( 1.192 -4.283 -0.969) 4.550 2.242 ( 0.548 -1.089 3.187) 3.412 2.294 ( -0.091 -4.340 -4.167) 6.017 2.467 ( 1.278 -4.458 1.171) 4.783 2.540 ( -2.213 -10.497 0.467) 10.737 2.626 ( 0.253 -11.637 -1.209) 11.702 2.696 ( 0.294 -3.833 1.905) 4.290 2.934 ( 0.037 -0.414 6.889) 6.902 3.333 ( -0.469 -0.085 -5.886) 5.905 4.177 ( 0.437 -19.999 0.246) 20.005 4.319 ( -0.872 -16.607 -1.436) 16.691 4.377 ( -0.473 -4.284 -1.084) 4.444 4.473 ( 0.889 -13.342 0.446) 13.379 4.510 ( 1.471 -0.371 0.852) 1.740 4.601 ( 1.394 -4.445 1.687) 4.954 4.642 ( -0.525 1.381 0.950) 1.756 4.799 ( -0.274 -0.117 -0.635) 0.702 4.812 ( -0.493 -0.839 -0.545) 1.116 4.950 ( -2.373 -4.502 0.860) 5.161 5.124 ( 1.422 4.856 -2.276) 5.548 5.195 ( -3.000 -9.049 1.160) 9.604 5.329 ( 0.592 1.634 -0.658) 1.859 5.403 ( 1.046 -6.166 0.827) 6.308 5.437 ( 0.434 -3.410 -0.840) 3.539 5.518 ( -0.175 -0.131 -0.859) 0.886 5.615 ( -0.007 -0.531 -0.761) 0.928 5.622 ( -0.991 -2.382 0.482) 2.625 5.952 ( 0.281 0.821 0.998) 1.323 6.031 ( -0.610 -0.461 -0.294) 0.819 6.282 ( 0.029 -0.932 0.898) 1.295 6.306 ( 0.247 9.999 -0.139) 10.003 6.483 ( 0.256 2.998 0.185) 3.015 6.503 ( 0.067 2.694 0.121) 2.697======================= Grid point 470 (208/219) =======================q-point: ( 0.57 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 396Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( 0.159 -3.221 -1.255) 3.460 0.918 ( -2.611 -5.857 -0.566) 6.438 1.022 ( -0.619 -3.581 -0.516) 3.670 1.170 ( -0.462 -2.369 0.008) 2.414 1.225 ( -0.176 -1.762 0.127) 1.776 1.308 ( 0.218 -5.300 1.947) 5.650 1.516 ( -0.849 -10.276 -2.332) 10.572 1.648 ( 1.674 -3.759 0.036) 4.115 1.725 ( 0.857 -5.507 2.439) 6.084 1.820 ( -0.466 -1.437 -2.319) 2.768 2.109 ( -0.615 2.458 0.427) 2.569 2.113 ( -0.270 3.201 -0.574) 3.263 2.221 ( 0.482 0.230 -0.477) 0.716 2.285 ( 0.415 -0.567 2.533) 2.629 2.368 ( -0.515 -3.748 -3.064) 4.868 2.610 ( 0.364 -8.762 0.214) 8.773 2.673 ( 0.004 -2.457 0.969) 2.641 2.806 ( -0.842 -7.924 2.506) 8.353 2.836 ( -0.100 -9.978 -1.784) 10.137 2.957 ( -0.159 -1.173 3.561) 3.752 3.324 ( -0.525 -0.358 -3.642) 3.697 4.370 ( 0.103 -4.070 0.127) 4.073 4.427 ( 0.198 -2.617 0.109) 2.626 4.450 ( -0.260 -3.544 -0.917) 3.670 4.497 ( 0.125 -0.383 0.142) 0.427 4.556 ( -0.116 3.997 0.083) 3.999 4.592 ( 0.743 3.555 0.123) 3.634 4.685 ( -0.717 -1.757 -0.263) 1.916 4.834 ( 0.634 -1.254 0.226) 1.424 4.857 ( 0.038 -0.388 0.462) 0.604 5.039 ( -0.091 -5.366 2.645) 5.984 5.063 ( 0.715 -0.350 -3.256) 3.352 5.284 ( 0.601 0.149 3.439) 3.494 5.331 ( -0.794 -1.680 -3.359) 3.839 5.451 ( 0.681 1.009 -0.967) 1.554 5.534 ( 0.725 -4.663 0.727) 4.775 5.538 ( -0.024 0.118 0.069) 0.139 5.650 ( 1.340 -3.675 2.313) 4.545 5.707 ( -1.688 -5.904 -2.832) 6.763 5.976 ( 0.026 -2.054 0.868) 2.230 6.057 ( -0.515 -2.244 0.158) 2.307 6.133 ( -0.452 7.023 -0.943) 7.101 6.307 ( 0.339 -0.472 1.407) 1.522 6.445 ( -0.115 1.144 -0.185) 1.165 6.472 ( 0.022 0.589 0.072) 0.594======================= Grid point 471 (209/219) =======================q-point: ( 0.64 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 0.175 0.120 0.082) 0.227 0.983 ( 0.331 0.235 0.072) 0.412 1.145 ( -1.039 -6.500 -0.540) 6.605 1.233 ( 0.301 -5.354 0.060) 5.363 1.243 ( -0.651 -1.667 -0.272) 1.810 1.403 ( 0.443 -4.423 0.677) 4.496 1.672 ( -0.225 -5.858 -0.285) 5.870 1.698 ( 0.522 -1.288 0.051) 1.391 1.814 ( 1.339 -0.984 0.902) 1.891 1.844 ( -1.328 -3.224 -1.328) 3.731 2.017 ( -0.715 3.621 0.269) 3.701 2.070 ( -0.235 2.197 -0.457) 2.256 2.185 ( 0.063 3.011 -0.027) 3.011 2.286 ( 0.041 0.447 0.356) 0.573 2.437 ( -0.540 -4.299 -1.147) 4.482 2.675 ( 0.170 1.489 0.275) 1.524 2.753 ( -0.229 -5.991 0.083) 5.996 2.938 ( 0.625 -3.558 5.607) 6.669 2.980 ( -0.933 -6.437 -4.752) 8.055 3.021 ( 0.246 -5.549 1.263) 5.696 3.327 ( -0.316 -0.842 -1.406) 1.669 4.390 ( 0.203 1.277 0.144) 1.301 4.437 ( 0.071 4.999 -0.048) 4.999 4.478 ( 0.014 -3.271 0.035) 3.272 4.521 ( 0.499 -0.334 -0.283) 0.664 4.542 ( -0.450 -3.086 -0.433) 3.149 4.550 ( -0.180 -0.918 0.181) 0.953 4.701 ( -0.193 -0.856 -0.095) 0.883 4.833 ( 0.176 0.940 0.284) 0.998 4.845 ( 0.146 0.527 0.344) 0.646 5.060 ( -0.018 -1.764 0.157) 1.771 5.125 ( 0.243 -0.124 -0.344) 0.439 5.277 ( 0.391 1.210 2.059) 2.420 5.319 ( -0.324 1.944 -2.514) 3.194 5.438 ( 0.415 0.026 -0.036) 0.417 5.545 ( 0.252 -1.158 0.091) 1.188 5.575 ( 0.014 0.314 0.080) 0.324 5.707 ( 0.550 -1.733 1.995) 2.699 5.773 ( -0.532 -0.985 -2.060) 2.345 5.963 ( -0.004 3.062 0.230) 3.070 6.058 ( -0.156 1.896 -0.286) 1.924 6.098 ( -0.260 -1.898 0.036) 1.916 6.295 ( 0.231 1.906 0.621) 2.018 6.437 ( -0.050 -0.194 -0.021) 0.202 6.472 ( -0.020 -0.100 -0.019) 0.104======================= Grid point 472 (210/219) =======================q-point: ( 0.71 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( -0.000 0.695 0.000) 0.695 0.951 ( -0.000 2.652 0.000) 2.652 1.184 ( -0.000 -0.099 0.000) 0.099 1.225 ( -0.000 1.219 0.000) 1.219 1.430 ( -0.000 -10.150 0.000) 10.150 1.484 ( 0.000 -3.706 -0.000) 3.706 1.676 ( -0.000 4.457 0.000) 4.457 1.722 ( -0.000 -1.767 0.000) 1.767 1.850 ( -0.000 -3.696 0.000) 3.696 1.864 ( -0.000 2.031 -0.000) 2.031 2.000 ( -0.000 -1.179 0.000) 1.179 2.039 ( -0.000 0.794 -0.000) 0.794 2.138 ( -0.000 1.436 -0.000) 1.436 2.280 ( -0.000 0.228 -0.000) 0.228 2.509 ( -0.000 -3.036 -0.000) 3.036 2.646 ( -0.000 1.076 -0.000) 1.076 2.842 ( -0.000 -3.780 0.000) 3.780 2.988 ( -0.000 -1.655 0.000) 1.655 3.068 ( -0.000 -2.843 0.000) 2.843 3.123 ( -0.000 -4.564 -0.000) 4.564 3.346 ( -0.000 -1.245 -0.000) 1.245 4.354 ( -0.000 3.104 0.000) 3.104 4.361 ( -0.000 1.510 0.000) 1.510 4.506 ( -0.000 -0.283 0.000) 0.283 4.540 ( -0.000 -1.527 -0.000) 1.527 4.594 ( -0.000 -1.851 0.000) 1.851 4.605 ( -0.000 -3.706 -0.000) 3.706 4.718 ( -0.000 -0.858 0.000) 0.858 4.815 ( -0.000 1.014 0.000) 1.014 4.856 ( -0.000 -1.768 0.000) 1.768 5.075 ( -0.000 4.500 -0.000) 4.500 5.114 ( -0.000 -3.543 0.000) 3.543 5.258 ( -0.000 0.763 0.001) 0.763 5.259 ( 0.000 3.493 -0.001) 3.493 5.458 ( -0.000 -2.012 0.000) 2.012 5.538 ( -0.000 3.025 -0.000) 3.025 5.585 ( -0.000 -2.874 -0.000) 2.874 5.723 ( -0.000 5.208 0.000) 5.208 5.735 ( -0.000 -0.106 -0.000) 0.106 5.911 ( -0.000 1.992 -0.000) 1.992 6.007 ( -0.000 2.700 -0.000) 2.700 6.128 ( -0.000 -1.296 -0.000) 1.296 6.256 ( -0.000 1.906 0.000) 1.906 6.446 ( -0.000 -0.674 0.000) 0.674 6.467 ( -0.000 0.534 0.000) 0.534======================= Grid point 482 (211/219) =======================q-point: ( 0.36 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 217Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.373 ( -0.702 -0.000 0.053) 0.704 0.638 ( 1.328 0.000 -13.554) 13.619 0.722 ( 7.271 0.000 -4.757) 8.689 0.876 ( 1.767 0.000 -0.326) 1.797 0.943 ( 4.442 0.000 3.077) 5.404 0.957 ( 0.093 0.000 3.139) 3.141 0.963 ( 4.231 0.000 -9.532) 10.428 1.060 ( -0.399 -0.000 -0.215) 0.453 1.105 ( -3.054 -0.000 2.300) 3.824 1.146 ( -2.140 -0.000 1.220) 2.463 1.372 ( -3.191 -0.000 1.443) 3.502 1.525 ( 1.466 0.000 -0.142) 1.473 1.779 ( -4.623 -0.000 9.704) 10.749 1.856 ( 1.432 0.000 -4.430) 4.656 1.938 ( 0.259 0.000 -0.265) 0.371 2.049 ( -0.362 -0.000 0.100) 0.375 2.176 ( 0.139 0.000 -0.205) 0.248 2.310 ( 3.262 0.000 -4.000) 5.161 2.416 ( -0.145 -0.000 4.355) 4.357 2.559 ( -0.014 -0.000 1.042) 1.042 2.621 ( 0.376 0.000 0.062) 0.381 2.626 ( 1.176 0.000 -3.236) 3.443 2.981 ( 0.483 0.000 10.874) 10.885 3.384 ( 0.333 0.000 -8.378) 8.384 4.217 ( -0.066 -0.000 0.004) 0.066 4.310 ( -0.130 -0.000 0.003) 0.130 4.338 ( -0.361 -0.000 -0.007) 0.361 4.492 ( -0.880 -0.000 -8.337) 8.383 4.736 ( -0.973 -0.000 -0.698) 1.197 4.885 ( 1.037 0.000 0.987) 1.431 5.062 ( -3.562 -0.000 -9.301) 9.960 5.177 ( -0.286 -0.000 -0.017) 0.286 5.193 ( 0.175 0.000 0.961) 0.977 5.202 ( -0.238 -0.000 0.026) 0.239 5.332 ( 1.455 0.000 -0.981) 1.754 5.519 ( 0.097 0.000 0.873) 0.879 5.562 ( -2.280 -0.000 2.390) 3.303 5.597 ( -0.639 -0.000 -1.498) 1.628 5.700 ( -0.189 -0.000 0.992) 1.010 6.085 ( 0.308 0.000 0.420) 0.521 6.091 ( 0.434 0.000 4.133) 4.155 6.356 ( 0.869 0.000 -4.470) 4.553 6.557 ( -0.431 -0.000 -1.004) 1.093 6.643 ( 0.273 0.000 -0.147) 0.310 6.880 ( 1.401 0.000 3.550) 3.817======================= Grid point 483 (212/219) =======================q-point: ( 0.43 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 1.875 -5.440 -7.866) 9.746 0.813 ( 6.868 -4.810 -3.780) 9.198 0.881 ( -2.371 -2.179 2.627) 4.156 0.939 ( 0.629 -1.804 -1.579) 2.479 1.011 ( -0.440 -9.950 0.151) 9.961 1.029 ( -4.803 -4.687 -3.022) 7.360 1.055 ( -0.713 -1.605 0.562) 1.844 1.140 ( 5.784 -10.610 -0.660) 12.103 1.337 ( -0.607 -19.947 0.332) 19.959 1.375 ( -2.769 -6.676 -0.014) 7.227 1.475 ( -0.606 -21.939 1.384) 21.991 1.691 ( 1.131 -5.375 2.794) 6.163 1.878 ( 1.093 -5.321 -3.668) 6.554 2.031 ( 0.056 -10.080 -0.520) 10.094 2.117 ( -0.063 -7.741 0.210) 7.745 2.247 ( -1.557 -42.871 1.832) 42.939 2.309 ( 2.359 0.024 -3.076) 3.876 2.439 ( -1.152 -9.733 4.766) 10.898 2.508 ( 0.544 -2.036 2.950) 3.625 2.592 ( -0.319 -41.840 0.101) 41.842 2.627 ( 1.466 -0.777 -2.050) 2.637 3.007 ( -0.672 -3.596 8.427) 9.187 3.341 ( -1.279 -17.896 -2.987) 18.189 3.396 ( -4.822 -36.030 1.089) 36.368 4.266 ( -0.051 -3.539 0.113) 3.541 4.324 ( -0.015 -1.541 -0.162) 1.549 4.411 ( -0.326 -7.008 1.303) 7.135 4.492 ( -0.388 -2.097 -6.869) 7.192 4.719 ( -0.812 1.118 -0.545) 1.485 4.872 ( 0.914 2.006 1.244) 2.532 4.985 ( -3.114 3.494 -6.917) 8.351 5.178 ( 0.273 1.739 0.625) 1.868 5.214 ( -0.024 -3.469 -0.182) 3.474 5.255 ( -0.059 -4.425 0.314) 4.437 5.315 ( 1.174 2.346 -0.791) 2.740 5.496 ( -0.450 3.046 0.099) 3.081 5.544 ( -0.654 0.537 1.420) 1.654 5.578 ( -0.714 1.354 -0.658) 1.666 5.684 ( -0.176 1.600 0.687) 1.750 6.069 ( 0.750 3.007 2.956) 4.283 6.076 ( 0.132 1.400 0.382) 1.457 6.325 ( 0.387 2.240 -3.229) 3.949 6.532 ( -0.252 2.192 -0.689) 2.311 6.616 ( 0.271 2.672 0.237) 2.696 6.798 ( 1.523 9.077 1.984) 9.416======================= Grid point 484 (213/219) =======================q-point: ( 0.50 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( 0.636 0.183 -2.403) 2.492 0.876 ( 2.353 -1.463 -3.029) 4.105 0.912 ( -2.650 -3.230 1.879) 4.581 1.042 ( 0.855 -8.255 -0.023) 8.299 1.083 ( -1.688 -2.823 0.432) 3.317 1.092 ( -2.123 -5.931 -3.421) 7.168 1.136 ( -0.573 -4.827 0.233) 4.867 1.375 ( 1.277 -10.361 -0.187) 10.441 1.495 ( -0.373 -7.307 1.518) 7.473 1.707 ( 1.937 -9.194 0.860) 9.435 1.755 ( -1.242 -15.902 -1.726) 16.043 1.922 ( 1.770 -15.652 0.523) 15.760 2.058 ( 0.831 -12.019 -0.594) 12.063 2.206 ( 2.049 -5.075 -0.434) 5.490 2.248 ( -1.781 -5.536 -0.869) 5.880 2.321 ( -0.323 -4.284 -0.411) 4.316 2.427 ( 0.141 -6.312 0.414) 6.327 2.480 ( 0.244 0.934 2.062) 2.277 2.654 ( 1.225 -1.840 0.285) 2.229 2.937 ( 0.666 -2.537 6.355) 6.875 3.312 ( -0.169 -2.714 -5.191) 5.860 3.533 ( 0.019 -43.897 -0.244) 43.898 3.559 ( -1.878 -52.012 -0.456) 52.048 4.304 ( 1.962 -24.348 4.678) 24.871 4.335 ( -0.744 -14.965 4.615) 15.678 4.366 ( 0.036 -2.975 -0.519) 3.020 4.523 ( 0.160 -3.163 1.521) 3.513 4.564 ( -4.692 -10.893 -6.827) 13.685 4.685 ( -0.458 2.021 -0.034) 2.072 4.833 ( 0.368 2.396 0.850) 2.569 4.886 ( -2.717 3.795 -4.799) 6.695 5.140 ( 0.209 1.967 0.252) 1.994 5.237 ( 0.866 5.594 0.020) 5.660 5.292 ( 0.116 -4.494 0.006) 4.495 5.350 ( 0.560 -4.373 0.155) 4.411 5.418 ( -0.291 3.930 -0.496) 3.972 5.539 ( 0.155 1.730 -1.278) 2.156 5.558 ( -0.811 -1.672 1.160) 2.191 5.650 ( -0.111 1.806 0.311) 1.836 6.007 ( 0.540 3.847 1.435) 4.141 6.044 ( -0.084 1.751 -0.288) 1.777 6.283 ( 0.025 1.223 -0.866) 1.498 6.465 ( 0.035 5.220 -0.202) 5.224 6.558 ( 0.307 3.403 0.575) 3.465 6.609 ( 0.757 9.973 0.380) 10.009======================= Grid point 485 (214/219) =======================q-point: ( 0.57 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( -1.608 -5.113 -1.761) 5.641 0.894 ( 0.204 -0.697 -0.216) 0.757 0.971 ( -0.145 -2.820 0.399) 2.852 1.121 ( -0.366 -2.549 0.158) 2.580 1.169 ( -0.523 -4.396 0.348) 4.440 1.211 ( 0.515 -4.754 0.905) 4.867 1.287 ( -0.852 -12.503 -2.170) 12.719 1.548 ( 0.561 -7.363 0.045) 7.385 1.621 ( 0.209 -5.997 0.952) 6.075 1.786 ( 0.230 -2.053 -0.588) 2.148 2.030 ( -0.174 -10.291 -0.901) 10.332 2.176 ( 0.949 -1.290 2.466) 2.941 2.192 ( 0.288 -4.624 -1.864) 4.994 2.258 ( -0.124 -2.782 2.872) 4.000 2.279 ( 0.218 -3.556 -3.127) 4.740 2.485 ( 1.350 -3.770 0.703) 4.066 2.520 ( -1.698 -11.517 -0.200) 11.643 2.625 ( 0.160 -11.984 -0.413) 11.992 2.703 ( 0.031 -2.932 0.589) 2.991 2.956 ( 0.010 0.110 2.847) 2.849 3.310 ( -0.191 -0.174 -2.441) 2.454 4.180 ( 0.160 -20.060 0.096) 20.061 4.307 ( -0.422 -18.654 -0.635) 18.669 4.371 ( -0.114 -2.792 -0.295) 2.810 4.481 ( 0.373 -13.790 0.125) 13.796 4.522 ( 0.516 1.641 0.272) 1.742 4.620 ( 0.935 -3.913 0.847) 4.111 4.641 ( -0.308 2.077 0.418) 2.141 4.795 ( -0.074 0.180 -0.230) 0.301 4.807 ( -0.202 -1.327 -0.132) 1.348 4.932 ( -1.331 -9.549 0.026) 9.641 5.127 ( 0.622 5.303 -0.837) 5.405 5.178 ( -1.093 -9.194 0.376) 9.266 5.332 ( 0.279 2.228 -0.135) 2.250 5.413 ( 0.393 -6.526 0.303) 6.544 5.438 ( 0.149 -3.629 -0.326) 3.646 5.514 ( -0.079 -0.320 -0.340) 0.473 5.610 ( -0.200 -3.305 -0.353) 3.330 5.620 ( -0.151 0.777 0.273) 0.837 5.957 ( 0.063 1.096 0.283) 1.133 6.026 ( -0.209 -0.361 -0.105) 0.430 6.285 ( 0.047 -1.298 0.330) 1.340 6.307 ( 0.080 10.352 -0.016) 10.352 6.486 ( 0.104 3.456 0.073) 3.458 6.504 ( 0.019 2.557 0.046) 2.558======================= Grid point 486 (215/219) =======================q-point: ( 0.64 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( 0.000 -9.915 -0.000) 9.915 0.905 ( -0.000 -0.414 0.000) 0.414 1.018 ( -0.000 -2.729 0.000) 2.729 1.168 ( -0.000 -2.431 0.000) 2.431 1.225 ( -0.000 -1.878 0.000) 1.878 1.314 ( -0.000 -5.284 0.000) 5.284 1.506 ( -0.000 -10.553 0.000) 10.553 1.656 ( -0.000 -3.798 -0.000) 3.798 1.735 ( -0.000 -5.895 0.000) 5.895 1.812 ( -0.000 -0.936 -0.000) 0.936 2.107 ( -0.000 0.839 0.000) 0.839 2.111 ( -0.000 5.134 -0.000) 5.134 2.223 ( -0.000 0.316 -0.000) 0.316 2.294 ( -0.000 -0.129 0.000) 0.129 2.358 ( -0.000 -3.726 -0.000) 3.726 2.613 ( -0.000 -8.377 0.000) 8.377 2.675 ( -0.000 -2.700 0.000) 2.700 2.807 ( -0.000 -8.907 -0.000) 8.907 2.831 ( -0.000 -9.238 0.000) 9.238 2.965 ( -0.000 -0.968 -0.000) 0.968 3.313 ( -0.000 -0.429 0.000) 0.429 4.371 ( -0.000 -4.092 -0.000) 4.092 4.428 ( -0.000 -2.294 0.000) 2.294 4.447 ( -0.000 -4.005 -0.000) 4.005 4.498 ( -0.000 -0.444 -0.000) 0.444 4.556 ( -0.000 4.234 0.000) 4.234 4.597 ( -0.000 4.038 0.000) 4.038 4.681 ( 0.000 -2.031 -0.000) 2.031 4.837 ( -0.000 -1.403 0.000) 1.403 4.858 ( 0.000 -0.516 -0.000) 0.516 5.047 ( -0.000 -7.397 -0.000) 7.397 5.058 ( -0.000 1.760 0.000) 1.760 5.300 ( -0.000 1.073 0.000) 1.073 5.314 ( -0.000 -2.774 -0.000) 2.774 5.452 ( -0.000 0.982 0.000) 0.982 5.538 ( 0.000 0.051 -0.000) 0.051 5.539 ( -0.000 -4.641 0.000) 4.641 5.670 ( 0.000 -2.730 0.000) 2.730 5.684 ( -0.000 -7.067 -0.000) 7.067 5.977 ( -0.000 -2.179 0.000) 2.179 6.055 ( -0.000 -2.360 0.000) 2.360 6.129 ( -0.000 7.348 0.000) 7.348 6.312 ( -0.000 -0.572 0.000) 0.572 6.444 ( -0.000 1.179 -0.000) 1.179 6.472 ( -0.000 0.639 0.000) 0.639======================= Grid point 498 (216/219) =======================q-point: ( 0.43 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 219Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.368 ( -0.375 -0.000 0.145) 0.402 0.580 ( -0.539 -0.000 -11.508) 11.521 0.766 ( 4.553 0.000 -2.474) 5.182 0.886 ( -0.859 -0.000 3.082) 3.199 0.924 ( -0.444 -0.000 -4.011) 4.035 0.968 ( -0.285 -0.000 2.640) 2.655 1.049 ( 8.399 0.000 -0.281) 8.403 1.052 ( -0.309 -0.000 -1.721) 1.748 1.095 ( -0.292 -0.000 1.386) 1.417 1.133 ( -1.396 -0.000 1.251) 1.874 1.345 ( -3.504 -0.000 1.042) 3.655 1.536 ( 0.786 0.000 -0.083) 0.791 1.770 ( -3.997 -0.000 6.512) 7.641 1.844 ( 0.787 0.000 -4.901) 4.964 1.940 ( 0.246 0.000 -0.001) 0.246 2.046 ( -0.267 -0.000 -0.028) 0.269 2.177 ( 0.087 0.000 -0.118) 0.147 2.324 ( 2.724 0.000 -2.902) 3.980 2.428 ( -0.571 -0.000 2.606) 2.668 2.570 ( 0.214 0.000 2.409) 2.418 2.624 ( 0.212 0.000 0.036) 0.216 2.625 ( 0.940 0.000 -2.331) 2.514 3.029 ( 0.525 0.000 7.861) 7.879 3.353 ( 0.137 0.000 -6.215) 6.216 4.217 ( -0.035 -0.000 0.002) 0.035 4.309 ( -0.068 -0.000 0.004) 0.068 4.335 ( -0.206 -0.000 -0.007) 0.206 4.464 ( 0.211 0.000 -3.957) 3.963 4.725 ( -0.703 -0.000 -0.552) 0.894 4.907 ( 1.939 0.000 2.622) 3.261 4.996 ( -2.933 -0.000 -6.604) 7.226 5.175 ( -0.157 -0.000 -0.007) 0.157 5.197 ( 0.079 0.000 0.463) 0.470 5.200 ( -0.136 -0.000 0.012) 0.137 5.341 ( 0.827 0.000 -0.283) 0.874 5.522 ( -0.045 -0.000 0.430) 0.433 5.556 ( -0.787 -0.000 1.276) 1.500 5.587 ( -0.558 -0.000 -0.663) 0.866 5.701 ( -0.131 -0.000 0.531) 0.546 6.088 ( 0.127 0.000 0.174) 0.215 6.113 ( 0.593 0.000 2.851) 2.912 6.344 ( 0.295 0.000 -2.946) 2.961 6.550 ( -0.220 -0.000 -0.553) 0.595 6.644 ( 0.114 0.000 -0.116) 0.163 6.902 ( 0.697 0.000 1.772) 1.904======================= Grid point 499 (217/219) =======================q-point: ( 0.50 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 392Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( 0.412 -8.084 -4.003) 9.030 0.868 ( 3.691 -4.076 -3.343) 6.436 0.875 ( 1.675 -0.231 4.210) 4.537 0.927 ( -2.853 -5.354 -0.647) 6.102 0.974 ( -2.631 0.042 -1.548) 3.053 1.011 ( -0.127 -10.187 -0.101) 10.188 1.051 ( -0.355 -0.991 0.275) 1.088 1.190 ( 3.334 -8.884 0.350) 9.496 1.329 ( -0.696 -23.635 -0.795) 23.659 1.353 ( -1.412 -5.263 0.496) 5.472 1.476 ( -0.126 -21.934 0.604) 21.943 1.709 ( 0.510 -6.482 1.300) 6.631 1.872 ( 0.316 -4.974 -1.565) 5.224 2.030 ( 0.031 -10.450 -0.157) 10.451 2.117 ( -0.009 -6.023 0.061) 6.024 2.239 ( -0.741 -48.160 0.518) 48.168 2.318 ( 0.996 1.108 -1.081) 1.841 2.442 ( -0.665 -7.868 1.348) 8.010 2.522 ( 0.223 -1.144 1.168) 1.650 2.590 ( -0.163 -41.858 -0.016) 41.858 2.633 ( 0.675 -1.328 -0.560) 1.591 3.031 ( -0.263 -3.306 3.624) 4.912 3.330 ( 0.815 -9.311 -1.388) 9.449 3.359 ( -2.816 -43.589 -0.025) 43.680 4.265 ( -0.062 -3.527 -0.034) 3.527 4.323 ( -0.004 -1.511 -0.060) 1.512 4.411 ( -0.281 -6.974 0.232) 6.984 4.474 ( 0.263 -1.763 -2.000) 2.678 4.712 ( -0.329 0.982 -0.247) 1.065 4.894 ( 1.687 2.766 2.768) 4.261 4.933 ( -2.365 3.101 -4.636) 6.058 5.181 ( 0.089 1.706 0.207) 1.720 5.213 ( -0.010 -3.565 -0.063) 3.566 5.255 ( -0.009 -4.869 0.090) 4.869 5.321 ( 0.433 2.547 -0.164) 2.589 5.493 ( -0.210 3.244 0.073) 3.252 5.546 ( -0.015 0.395 0.426) 0.581 5.570 ( -0.375 1.309 -0.168) 1.372 5.684 ( -0.074 1.626 0.240) 1.646 6.076 ( 0.056 1.377 0.078) 1.380 6.086 ( 0.351 3.289 1.257) 3.538 6.317 ( 0.075 2.085 -1.296) 2.457 6.528 ( -0.087 2.106 -0.247) 2.123 6.618 ( 0.083 2.525 0.067) 2.528 6.814 ( 0.509 9.084 0.682) 9.124======================= Grid point 500 (218/219) =======================q-point: ( 0.57 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( 0.000 1.561 -0.000) 1.561 0.881 ( -0.000 -0.744 0.000) 0.744 0.903 ( -0.000 -4.350 0.000) 4.350 1.048 ( -0.000 -9.116 0.000) 9.116 1.066 ( -0.000 -5.962 -0.000) 5.962 1.080 ( -0.000 -2.719 -0.000) 2.719 1.134 ( -0.000 -4.479 0.000) 4.479 1.382 ( -0.000 -9.914 0.000) 9.914 1.496 ( -0.000 -7.609 -0.000) 7.609 1.724 ( 0.000 -5.675 0.000) 5.675 1.739 ( -0.000 -19.318 -0.000) 19.318 1.932 ( -0.000 -15.552 0.000) 15.552 2.060 ( -0.000 -12.629 0.000) 12.629 2.223 ( 0.000 -7.095 0.000) 7.095 2.230 ( -0.000 -3.354 -0.000) 3.354 2.318 ( -0.000 -4.393 -0.000) 4.393 2.428 ( -0.000 -5.757 0.000) 5.757 2.486 ( -0.000 1.073 -0.000) 1.073 2.660 ( -0.000 -1.861 0.000) 1.861 2.956 ( -0.000 -2.269 -0.000) 2.269 3.299 ( -0.000 -2.565 0.000) 2.565 3.533 ( -0.000 -43.972 0.000) 43.972 3.548 ( 0.000 -52.462 -0.000) 52.462 4.324 ( -0.000 -2.626 0.000) 2.626 4.345 ( -0.000 -39.675 0.000) 39.675 4.368 ( -0.000 -8.428 0.000) 8.428 4.517 ( -0.000 -4.042 0.000) 4.042 4.528 ( -0.000 -3.201 -0.000) 3.201 4.683 ( -0.000 1.893 0.000) 1.893 4.845 ( 0.000 2.687 0.000) 2.687 4.853 ( -0.000 3.919 -0.000) 3.919 5.142 ( -0.000 2.062 -0.000) 2.062 5.242 ( -0.000 5.720 -0.000) 5.720 5.293 ( -0.000 -4.549 0.000) 4.549 5.354 ( -0.000 -4.955 -0.000) 4.955 5.415 ( -0.000 4.195 -0.000) 4.195 5.537 ( -0.000 1.878 0.000) 1.878 5.557 ( -0.000 -1.720 -0.000) 1.720 5.650 ( -0.000 1.813 0.000) 1.813 6.013 ( -0.000 4.079 0.000) 4.079 6.043 ( -0.000 1.832 -0.000) 1.832 6.282 ( -0.000 1.034 0.000) 1.034 6.465 ( -0.000 5.060 0.000) 5.060 6.561 ( -0.000 3.270 -0.000) 3.270 6.614 ( -0.000 10.407 0.000) 10.407======================= Grid point 515 (219/219) =======================q-point: (-0.50 -0.50 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 2.00e-05 2.00e-05 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.367 ( 0.000 0.000 0.000) 0.000 0.549 ( 0.000 0.000 -0.000) 0.000 0.784 ( 0.000 0.000 -0.000) 0.000 0.887 ( 0.000 0.000 -0.000) 0.000 0.913 ( 0.000 0.000 0.000) 0.000 0.973 ( 0.000 0.000 0.000) 0.000 1.044 ( -0.000 -0.000 -0.000) 0.000 1.079 ( -0.000 -0.000 -0.000) 0.000 1.115 ( -0.000 -0.000 -0.000) 0.000 1.129 ( 0.000 0.000 -0.000) 0.000 1.324 ( 0.000 0.000 -0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 -0.000) 0.000 1.941 ( 0.000 0.000 -0.000) 0.000 2.044 ( 0.000 0.000 -0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.333 ( -0.000 -0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 -0.000) 0.000 2.625 ( 0.000 0.000 -0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 -0.000) 0.000 4.216 ( 0.000 0.000 -0.000) 0.000 4.309 ( 0.000 0.000 -0.000) 0.000 4.334 ( 0.000 0.000 -0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.720 ( -0.000 -0.000 0.000) 0.000 4.945 ( 0.001 0.000 0.001) 0.001 4.945 ( -0.000 -0.000 -0.001) 0.001 5.174 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.199 ( 0.000 0.000 -0.000) 0.000 5.345 ( 0.000 0.000 -0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 -0.000) 0.000 5.582 ( 0.000 0.000 -0.000) 0.000 5.702 ( 0.000 0.000 -0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 -0.000) 0.000 6.548 ( 0.000 0.000 -0.000) 0.000 6.644 ( 0.000 0.000 -0.000) 0.000 6.909 ( 0.000 0.000 -0.000) 0.000=================== 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 3/35280 10.0 9.715 34.209 18.318 -0.000 1.607 0.000 3/35280 20.0 3.042 14.794 6.220 -0.000 0.335 0.000 3/35280 30.0 1.723 10.160 3.709 -0.000 0.193 0.000 3/35280 40.0 1.199 7.926 2.674 -0.000 0.144 0.000 3/35280 50.0 0.920 6.480 2.095 -0.000 0.117 -0.000 3/35280 60.0 0.747 5.457 1.721 -0.000 0.099 -0.000 3/35280 70.0 0.630 4.700 1.461 -0.000 0.086 -0.000 3/35280 80.0 0.545 4.123 1.269 -0.000 0.076 -0.000 3/35280 90.0 0.480 3.669 1.122 -0.000 0.068 -0.000 3/35280 100.0 0.430 3.305 1.006 -0.000 0.062 -0.000 3/35280 110.0 0.389 3.006 0.913 -0.000 0.057 -0.000 3/35280 120.0 0.356 2.756 0.835 -0.000 0.052 -0.000 3/35280 130.0 0.328 2.545 0.769 -0.000 0.048 -0.000 3/35280 140.0 0.304 2.363 0.714 -0.000 0.045 -0.000 3/35280 150.0 0.283 2.206 0.666 -0.000 0.042 -0.000 3/35280 160.0 0.265 2.069 0.623 -0.000 0.040 -0.000 3/35280 170.0 0.250 1.947 0.587 -0.000 0.037 -0.000 3/35280 180.0 0.236 1.839 0.554 -0.000 0.035 -0.000 3/35280 190.0 0.223 1.743 0.524 -0.000 0.034 -0.000 3/35280 200.0 0.212 1.656 0.498 -0.000 0.032 -0.000 3/35280 210.0 0.202 1.577 0.474 -0.000 0.030 -0.000 3/35280 220.0 0.192 1.506 0.453 -0.000 0.029 -0.000 3/35280 230.0 0.184 1.440 0.433 -0.000 0.028 -0.000 3/35280 240.0 0.176 1.380 0.415 -0.000 0.027 -0.000 3/35280 250.0 0.169 1.325 0.398 -0.000 0.026 -0.000 3/35280 260.0 0.163 1.274 0.383 -0.000 0.025 -0.000 3/35280 270.0 0.157 1.227 0.369 -0.000 0.024 -0.000 3/35280 280.0 0.151 1.184 0.355 -0.000 0.023 -0.000 3/35280 290.0 0.146 1.143 0.343 -0.000 0.022 -0.000 3/35280 300.0 0.141 1.105 0.332 -0.000 0.022 -0.000 3/35280 310.0 0.136 1.069 0.321 -0.000 0.021 -0.000 3/35280 320.0 0.132 1.036 0.311 -0.000 0.020 -0.000 3/35280 330.0 0.128 1.005 0.302 -0.000 0.020 -0.000 3/35280 340.0 0.124 0.975 0.293 -0.000 0.019 -0.000 3/35280 350.0 0.121 0.947 0.284 -0.000 0.018 -0.000 3/35280 360.0 0.117 0.921 0.276 -0.000 0.018 -0.000 3/35280 370.0 0.114 0.896 0.269 -0.000 0.017 -0.000 3/35280 380.0 0.111 0.873 0.262 -0.000 0.017 -0.000 3/35280 390.0 0.108 0.850 0.255 -0.000 0.017 -0.000 3/35280 400.0 0.106 0.829 0.249 -0.000 0.016 -0.000 3/35280 410.0 0.103 0.809 0.243 -0.000 0.016 -0.000 3/35280 420.0 0.101 0.790 0.237 -0.000 0.015 -0.000 3/35280 430.0 0.098 0.771 0.231 -0.000 0.015 -0.000 3/35280 440.0 0.096 0.754 0.226 -0.000 0.015 -0.000 3/35280 450.0 0.094 0.737 0.221 -0.000 0.014 -0.000 3/35280 460.0 0.092 0.721 0.216 -0.000 0.014 -0.000 3/35280 470.0 0.090 0.706 0.212 -0.000 0.014 -0.000 3/35280 480.0 0.088 0.691 0.207 -0.000 0.014 -0.000 3/35280 490.0 0.086 0.677 0.203 -0.000 0.013 -0.000 3/35280 500.0 0.085 0.664 0.199 -0.000 0.013 -0.000 3/35280 510.0 0.083 0.651 0.195 -0.000 0.013 -0.000 3/35280 520.0 0.081 0.638 0.191 -0.000 0.012 -0.000 3/35280 530.0 0.080 0.626 0.188 -0.000 0.012 -0.000 3/35280 540.0 0.078 0.615 0.184 -0.000 0.012 -0.000 3/35280 550.0 0.077 0.603 0.181 -0.000 0.012 -0.000 3/35280 560.0 0.075 0.593 0.178 -0.000 0.012 -0.000 3/35280 570.0 0.074 0.582 0.175 -0.000 0.011 -0.000 3/35280 580.0 0.073 0.572 0.172 -0.000 0.011 -0.000 3/35280 590.0 0.072 0.563 0.169 -0.000 0.011 -0.000 3/35280 600.0 0.070 0.553 0.166 -0.000 0.011 -0.000 3/35280 610.0 0.069 0.544 0.163 -0.000 0.011 -0.000 3/35280 620.0 0.068 0.535 0.161 -0.000 0.010 -0.000 3/35280 630.0 0.067 0.527 0.158 -0.000 0.010 -0.000 3/35280 640.0 0.066 0.519 0.156 -0.000 0.010 -0.000 3/35280 650.0 0.065 0.511 0.153 -0.000 0.010 -0.000 3/35280 660.0 0.064 0.503 0.151 -0.000 0.010 -0.000 3/35280 670.0 0.063 0.495 0.149 -0.000 0.010 -0.000 3/35280 680.0 0.062 0.488 0.146 -0.000 0.010 -0.000 3/35280 690.0 0.061 0.481 0.144 -0.000 0.009 -0.000 3/35280 700.0 0.060 0.474 0.142 -0.000 0.009 -0.000 3/35280 710.0 0.060 0.468 0.140 -0.000 0.009 -0.000 3/35280 720.0 0.059 0.461 0.138 -0.000 0.009 -0.000 3/35280 730.0 0.058 0.455 0.136 -0.000 0.009 -0.000 3/35280 740.0 0.057 0.449 0.135 -0.000 0.009 -0.000 3/35280 750.0 0.056 0.443 0.133 -0.000 0.009 -0.000 3/35280 760.0 0.056 0.437 0.131 -0.000 0.009 -0.000 3/35280 770.0 0.055 0.431 0.129 -0.000 0.008 -0.000 3/35280 780.0 0.054 0.426 0.128 -0.000 0.008 -0.000 3/35280 790.0 0.054 0.420 0.126 -0.000 0.008 -0.000 3/35280 800.0 0.053 0.415 0.124 -0.000 0.008 -0.000 3/35280 810.0 0.052 0.410 0.123 -0.000 0.008 -0.000 3/35280 820.0 0.052 0.405 0.121 -0.000 0.008 -0.000 3/35280 830.0 0.051 0.400 0.120 -0.000 0.008 -0.000 3/35280 840.0 0.050 0.395 0.119 -0.000 0.008 -0.000 3/35280 850.0 0.050 0.391 0.117 -0.000 0.008 -0.000 3/35280 860.0 0.049 0.386 0.116 -0.000 0.008 -0.000 3/35280 870.0 0.049 0.382 0.114 -0.000 0.007 -0.000 3/35280 880.0 0.048 0.377 0.113 -0.000 0.007 -0.000 3/35280 890.0 0.048 0.373 0.112 -0.000 0.007 -0.000 3/35280 900.0 0.047 0.369 0.111 -0.000 0.007 -0.000 3/35280 910.0 0.046 0.365 0.109 -0.000 0.007 -0.000 3/35280 920.0 0.046 0.361 0.108 -0.000 0.007 -0.000 3/35280 930.0 0.045 0.357 0.107 -0.000 0.007 -0.000 3/35280 940.0 0.045 0.353 0.106 -0.000 0.007 -0.000 3/35280 950.0 0.045 0.350 0.105 -0.000 0.007 -0.000 3/35280 960.0 0.044 0.346 0.104 -0.000 0.007 -0.000 3/35280 970.0 0.044 0.342 0.103 -0.000 0.007 -0.000 3/35280 980.0 0.043 0.339 0.102 -0.000 0.007 -0.000 3/35280 990.0 0.043 0.335 0.101 -0.000 0.007 -0.000 3/35280 1000.0 0.042 0.332 0.100 -0.000 0.007 -0.000 3/35280Thermal conductivity related properties were written into "kappa-m14144.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 19:06:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|