----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:08:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.840342820013049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.808555510000000 0.000000000000000 c -0.113281830764457 0.000000000000000 5.167954856956579 Atomic positions (fractional): *1 O 0.75980595443121 0.37978325440752 0.90051805402496 15.999 2 O 0.24019404556879 0.37978325440752 0.59948194597504 15.999 3 O 0.24019404556879 0.62021674559248 0.09948194597504 15.999 4 O 0.75980595443121 0.62021674559248 0.40051805402496 15.999 *5 O 0.71432269675777 0.89757344218891 0.93564871185468 15.999 6 O 0.28567730324223 0.89757344218891 0.56435128814532 15.999 7 O 0.28567730324223 0.10242655781109 0.06435128814532 15.999 8 O 0.71432269675777 0.10242655781109 0.43564871185468 15.999 *9 In 0.00000000000000 0.67625109611763 0.75000000000000 114.818 10 In 0.00000000000000 0.32374890388237 0.25000000000000 114.818 *11 Ta 0.50000000000000 0.17170751488370 0.75000000000000 180.948 12 Ta 0.50000000000000 0.82829248511630 0.25000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.840342820013049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.808555510000000 0.000000000000000 c -0.113281830764457 0.000000000000000 5.167954856956579 Atomic positions (fractional): *1 O 0.75980595443121 0.37978325440752 0.90051805402496 15.999 > 1 2 O 0.24019404556879 0.37978325440752 0.59948194597504 15.999 > 2 3 O 0.24019404556879 0.62021674559248 0.09948194597504 15.999 > 3 4 O 0.75980595443121 0.62021674559248 0.40051805402496 15.999 > 4 *5 O 0.71432269675777 0.89757344218891 0.93564871185468 15.999 > 5 6 O 0.28567730324223 0.89757344218891 0.56435128814532 15.999 > 6 7 O 0.28567730324223 0.10242655781109 0.06435128814532 15.999 > 7 8 O 0.71432269675777 0.10242655781109 0.43564871185468 15.999 > 8 *9 In 0.00000000000000 0.67625109611763 0.75000000000000 114.818 > 9 10 In 0.00000000000000 0.32374890388237 0.25000000000000 114.818 > 10 *11 Ta 0.50000000000000 0.17170751488370 0.75000000000000 180.948 > 11 12 Ta 0.50000000000000 0.82829248511630 0.25000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.521028460039147 0.000000000000000 0.000000000000000 b 0.000000000000000 11.617111019999999 0.000000000000000 c -0.226563661528914 0.000000000000000 10.335909713913159 Atomic positions (fractional): *1 O 0.25326865147707 0.18989162720376 0.45025902701248 15.999 > 1 2 O 0.58660198481040 0.18989162720376 0.45025902701248 15.999 > 1 3 O 0.91993531814374 0.18989162720376 0.45025902701248 15.999 > 1 4 O 0.25326865147707 0.68989162720376 0.45025902701248 15.999 > 1 5 O 0.58660198481040 0.68989162720376 0.45025902701248 15.999 > 1 6 O 0.91993531814374 0.68989162720376 0.45025902701248 15.999 > 1 7 O 0.25326865147707 0.18989162720376 0.95025902701248 15.999 > 1 8 O 0.58660198481040 0.18989162720376 0.95025902701248 15.999 > 1 9 O 0.91993531814374 0.18989162720376 0.95025902701248 15.999 > 1 10 O 0.25326865147707 0.68989162720376 0.95025902701248 15.999 > 1 11 O 0.58660198481040 0.68989162720376 0.95025902701248 15.999 > 1 12 O 0.91993531814374 0.68989162720376 0.95025902701248 15.999 > 1 13 O 0.08006468185626 0.18989162720376 0.29974097298752 15.999 > 2 14 O 0.41339801518960 0.18989162720376 0.29974097298752 15.999 > 2 15 O 0.74673134852293 0.18989162720376 0.29974097298752 15.999 > 2 16 O 0.08006468185626 0.68989162720376 0.29974097298752 15.999 > 2 17 O 0.41339801518960 0.68989162720376 0.29974097298752 15.999 > 2 18 O 0.74673134852293 0.68989162720376 0.29974097298752 15.999 > 2 19 O 0.08006468185626 0.18989162720376 0.79974097298752 15.999 > 2 20 O 0.41339801518960 0.18989162720376 0.79974097298752 15.999 > 2 21 O 0.74673134852293 0.18989162720376 0.79974097298752 15.999 > 2 22 O 0.08006468185626 0.68989162720376 0.79974097298752 15.999 > 2 23 O 0.41339801518960 0.68989162720376 0.79974097298752 15.999 > 2 24 O 0.74673134852293 0.68989162720376 0.79974097298752 15.999 > 2 25 O 0.08006468185626 0.31010837279624 0.04974097298752 15.999 > 3 26 O 0.41339801518960 0.31010837279624 0.04974097298752 15.999 > 3 27 O 0.74673134852293 0.31010837279624 0.04974097298752 15.999 > 3 28 O 0.08006468185626 0.81010837279624 0.04974097298752 15.999 > 3 29 O 0.41339801518960 0.81010837279624 0.04974097298752 15.999 > 3 30 O 0.74673134852293 0.81010837279624 0.04974097298752 15.999 > 3 31 O 0.08006468185626 0.31010837279624 0.54974097298752 15.999 > 3 32 O 0.41339801518960 0.31010837279624 0.54974097298752 15.999 > 3 33 O 0.74673134852293 0.31010837279624 0.54974097298752 15.999 > 3 34 O 0.08006468185626 0.81010837279624 0.54974097298752 15.999 > 3 35 O 0.41339801518960 0.81010837279624 0.54974097298752 15.999 > 3 36 O 0.74673134852293 0.81010837279624 0.54974097298752 15.999 > 3 37 O 0.25326865147707 0.31010837279624 0.20025902701248 15.999 > 4 38 O 0.58660198481040 0.31010837279624 0.20025902701248 15.999 > 4 39 O 0.91993531814374 0.31010837279624 0.20025902701248 15.999 > 4 40 O 0.25326865147707 0.81010837279624 0.20025902701248 15.999 > 4 41 O 0.58660198481040 0.81010837279624 0.20025902701248 15.999 > 4 42 O 0.91993531814374 0.81010837279624 0.20025902701248 15.999 > 4 43 O 0.25326865147707 0.31010837279624 0.70025902701248 15.999 > 4 44 O 0.58660198481040 0.31010837279624 0.70025902701248 15.999 > 4 45 O 0.91993531814374 0.31010837279624 0.70025902701248 15.999 > 4 46 O 0.25326865147707 0.81010837279624 0.70025902701248 15.999 > 4 47 O 0.58660198481040 0.81010837279624 0.70025902701248 15.999 > 4 48 O 0.91993531814374 0.81010837279624 0.70025902701248 15.999 > 4 *49 O 0.23810756558592 0.44878672109446 0.46782435592734 15.999 > 5 50 O 0.57144089891926 0.44878672109446 0.46782435592734 15.999 > 5 51 O 0.90477423225259 0.44878672109446 0.46782435592734 15.999 > 5 52 O 0.23810756558592 0.94878672109446 0.46782435592734 15.999 > 5 53 O 0.57144089891926 0.94878672109446 0.46782435592734 15.999 > 5 54 O 0.90477423225259 0.94878672109446 0.46782435592734 15.999 > 5 55 O 0.23810756558592 0.44878672109446 0.96782435592734 15.999 > 5 56 O 0.57144089891926 0.44878672109446 0.96782435592734 15.999 > 5 57 O 0.90477423225259 0.44878672109446 0.96782435592734 15.999 > 5 58 O 0.23810756558592 0.94878672109446 0.96782435592734 15.999 > 5 59 O 0.57144089891926 0.94878672109446 0.96782435592734 15.999 > 5 60 O 0.90477423225259 0.94878672109446 0.96782435592734 15.999 > 5 61 O 0.09522576774741 0.44878672109446 0.28217564407266 15.999 > 6 62 O 0.42855910108074 0.44878672109446 0.28217564407266 15.999 > 6 63 O 0.76189243441408 0.44878672109446 0.28217564407266 15.999 > 6 64 O 0.09522576774741 0.94878672109446 0.28217564407266 15.999 > 6 65 O 0.42855910108074 0.94878672109446 0.28217564407266 15.999 > 6 66 O 0.76189243441408 0.94878672109446 0.28217564407266 15.999 > 6 67 O 0.09522576774741 0.44878672109446 0.78217564407266 15.999 > 6 68 O 0.42855910108074 0.44878672109446 0.78217564407266 15.999 > 6 69 O 0.76189243441408 0.44878672109446 0.78217564407266 15.999 > 6 70 O 0.09522576774741 0.94878672109446 0.78217564407266 15.999 > 6 71 O 0.42855910108074 0.94878672109446 0.78217564407266 15.999 > 6 72 O 0.76189243441408 0.94878672109446 0.78217564407266 15.999 > 6 73 O 0.09522576774741 0.05121327890554 0.03217564407266 15.999 > 7 74 O 0.42855910108074 0.05121327890554 0.03217564407266 15.999 > 7 75 O 0.76189243441408 0.05121327890554 0.03217564407266 15.999 > 7 76 O 0.09522576774741 0.55121327890554 0.03217564407266 15.999 > 7 77 O 0.42855910108074 0.55121327890554 0.03217564407266 15.999 > 7 78 O 0.76189243441408 0.55121327890554 0.03217564407266 15.999 > 7 79 O 0.09522576774741 0.05121327890554 0.53217564407266 15.999 > 7 80 O 0.42855910108074 0.05121327890554 0.53217564407266 15.999 > 7 81 O 0.76189243441408 0.05121327890554 0.53217564407266 15.999 > 7 82 O 0.09522576774741 0.55121327890554 0.53217564407266 15.999 > 7 83 O 0.42855910108074 0.55121327890554 0.53217564407266 15.999 > 7 84 O 0.76189243441408 0.55121327890554 0.53217564407266 15.999 > 7 85 O 0.23810756558592 0.05121327890554 0.21782435592734 15.999 > 8 86 O 0.57144089891926 0.05121327890554 0.21782435592734 15.999 > 8 87 O 0.90477423225259 0.05121327890554 0.21782435592734 15.999 > 8 88 O 0.23810756558592 0.55121327890554 0.21782435592734 15.999 > 8 89 O 0.57144089891926 0.55121327890554 0.21782435592734 15.999 > 8 90 O 0.90477423225259 0.55121327890554 0.21782435592734 15.999 > 8 91 O 0.23810756558592 0.05121327890554 0.71782435592734 15.999 > 8 92 O 0.57144089891926 0.05121327890554 0.71782435592734 15.999 > 8 93 O 0.90477423225259 0.05121327890554 0.71782435592734 15.999 > 8 94 O 0.23810756558592 0.55121327890554 0.71782435592734 15.999 > 8 95 O 0.57144089891926 0.55121327890554 0.71782435592734 15.999 > 8 96 O 0.90477423225259 0.55121327890554 0.71782435592734 15.999 > 8 *97 In 0.00000000000000 0.33812554805881 0.37500000000000 114.818 > 9 98 In 0.33333333333333 0.33812554805881 0.37500000000000 114.818 > 9 99 In 0.66666666666667 0.33812554805881 0.37500000000000 114.818 > 9 100 In 0.00000000000000 0.83812554805881 0.37500000000000 114.818 > 9 101 In 0.33333333333333 0.83812554805881 0.37500000000000 114.818 > 9 102 In 0.66666666666667 0.83812554805881 0.37500000000000 114.818 > 9 103 In 0.00000000000000 0.33812554805881 0.87500000000000 114.818 > 9 104 In 0.33333333333333 0.33812554805881 0.87500000000000 114.818 > 9 105 In 0.66666666666667 0.33812554805881 0.87500000000000 114.818 > 9 106 In 0.00000000000000 0.83812554805881 0.87500000000000 114.818 > 9 107 In 0.33333333333333 0.83812554805881 0.87500000000000 114.818 > 9 108 In 0.66666666666667 0.83812554805881 0.87500000000000 114.818 > 9 109 In 0.00000000000000 0.16187445194118 0.12500000000000 114.818 > 10 110 In 0.33333333333333 0.16187445194118 0.12500000000000 114.818 > 10 111 In 0.66666666666667 0.16187445194118 0.12500000000000 114.818 > 10 112 In 0.00000000000000 0.66187445194118 0.12500000000000 114.818 > 10 113 In 0.33333333333333 0.66187445194118 0.12500000000000 114.818 > 10 114 In 0.66666666666667 0.66187445194118 0.12500000000000 114.818 > 10 115 In 0.00000000000000 0.16187445194118 0.62500000000000 114.818 > 10 116 In 0.33333333333333 0.16187445194118 0.62500000000000 114.818 > 10 117 In 0.66666666666667 0.16187445194118 0.62500000000000 114.818 > 10 118 In 0.00000000000000 0.66187445194118 0.62500000000000 114.818 > 10 119 In 0.33333333333333 0.66187445194118 0.62500000000000 114.818 > 10 120 In 0.66666666666667 0.66187445194118 0.62500000000000 114.818 > 10 *121 Ta 0.16666666666667 0.08585375744185 0.37500000000000 180.948 > 11 122 Ta 0.50000000000000 0.08585375744185 0.37500000000000 180.948 > 11 123 Ta 0.83333333333333 0.08585375744185 0.37500000000000 180.948 > 11 124 Ta 0.16666666666667 0.58585375744185 0.37500000000000 180.948 > 11 125 Ta 0.50000000000000 0.58585375744185 0.37500000000000 180.948 > 11 126 Ta 0.83333333333333 0.58585375744185 0.37500000000000 180.948 > 11 127 Ta 0.16666666666667 0.08585375744185 0.87500000000000 180.948 > 11 128 Ta 0.50000000000000 0.08585375744185 0.87500000000000 180.948 > 11 129 Ta 0.83333333333333 0.08585375744185 0.87500000000000 180.948 > 11 130 Ta 0.16666666666667 0.58585375744185 0.87500000000000 180.948 > 11 131 Ta 0.50000000000000 0.58585375744185 0.87500000000000 180.948 > 11 132 Ta 0.83333333333333 0.58585375744185 0.87500000000000 180.948 > 11 133 Ta 0.16666666666667 0.41414624255815 0.12500000000000 180.948 > 12 134 Ta 0.50000000000000 0.41414624255815 0.12500000000000 180.948 > 12 135 Ta 0.83333333333333 0.41414624255815 0.12500000000000 180.948 > 12 136 Ta 0.16666666666667 0.91414624255815 0.12500000000000 180.948 > 12 137 Ta 0.50000000000000 0.91414624255815 0.12500000000000 180.948 > 12 138 Ta 0.83333333333333 0.91414624255815 0.12500000000000 180.948 > 12 139 Ta 0.16666666666667 0.41414624255815 0.62500000000000 180.948 > 12 140 Ta 0.50000000000000 0.41414624255815 0.62500000000000 180.948 > 12 141 Ta 0.83333333333333 0.41414624255815 0.62500000000000 180.948 > 12 142 Ta 0.16666666666667 0.91414624255815 0.62500000000000 180.948 > 12 143 Ta 0.50000000000000 0.91414624255815 0.62500000000000 180.948 > 12 144 Ta 0.83333333333333 0.91414624255815 0.62500000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9238061 0.0000000 0.1102561 0.0000000 4.7930298 0.0000000 0.1102573 0.0000000 5.0927592 -------------------------- Born effective charges -------------------------- 1 O -2.6271951 -1.1876595 -0.8381525 -1.3053360 -2.5900995 -0.5708663 -0.9172123 -0.4785912 -2.0951894 2 O -2.6271951 1.1876595 -0.8381525 1.3053360 -2.5900995 0.5708663 -0.9172123 0.4785912 -2.0951894 3 O -2.6271951 -1.1876595 -0.8381525 -1.3053360 -2.5900995 -0.5708663 -0.9172123 -0.4785912 -2.0951894 4 O -2.6271951 1.1876595 -0.8381525 1.3053360 -2.5900995 0.5708663 -0.9172123 0.4785912 -2.0951894 5 O -2.2286134 0.5262648 0.6587279 0.5376218 -2.2243331 0.5585981 0.7311661 0.7659860 -3.1454267 6 O -2.2286134 -0.5262648 0.6587279 -0.5376218 -2.2243331 -0.5585981 0.7311661 -0.7659860 -3.1454267 7 O -2.2286134 0.5262648 0.6587279 0.5376218 -2.2243331 0.5585981 0.7311661 0.7659860 -3.1454267 8 O -2.2286134 -0.5262648 0.6587279 -0.5376218 -2.2243331 -0.5585981 0.7311661 -0.7659860 -3.1454267 9 In 4.3197873 0.0000000 -0.0127277 0.0000000 3.7434762 0.0000000 0.0129795 0.0000000 3.6247129 10 In 4.3197873 0.0000000 -0.0127277 0.0000000 3.7434762 0.0000000 0.0129795 0.0000000 3.6247129 11 Ta 5.3918297 0.0000000 0.3715767 0.0000000 5.8853889 0.0000000 0.3591129 0.0000000 6.8565193 12 Ta 5.3918297 0.0000000 0.3715767 0.0000000 5.8853889 0.0000000 0.3591129 0.0000000 6.8565193 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 1.052 Solver_block: 200 / 400 - Time: 1.020 Solver_block: 300 / 400 - Time: 0.937 Solver_block: 400 / 400 - Time: 0.963 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.256 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:08:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:08:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.840342820013049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.808555510000000 0.000000000000000 c -0.113281830764457 0.000000000000000 5.167954856956579 Atomic positions (fractional): 1 O 0.75980595443121 0.37978325440752 0.90051805402496 15.999 2 O 0.24019404556879 0.37978325440752 0.59948194597504 15.999 3 O 0.24019404556879 0.62021674559248 0.09948194597504 15.999 4 O 0.75980595443121 0.62021674559248 0.40051805402496 15.999 5 O 0.71432269675777 0.89757344218891 0.93564871185468 15.999 6 O 0.28567730324223 0.89757344218891 0.56435128814532 15.999 7 O 0.28567730324223 0.10242655781109 0.06435128814532 15.999 8 O 0.71432269675777 0.10242655781109 0.43564871185468 15.999 9 In 0.00000000000000 0.67625109611763 0.75000000000000 114.818 10 In 0.00000000000000 0.32374890388237 0.25000000000000 114.818 11 Ta 0.50000000000000 0.17170751488370 0.75000000000000 180.948 12 Ta 0.50000000000000 0.82829248511630 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.521028460039147 0.000000000000000 0.000000000000000 b 0.000000000000000 11.617111019999999 0.000000000000000 c -0.226563661528914 0.000000000000000 10.335909713913159 Atomic positions (fractional): 1 O 0.25326865147707 0.18989162720376 0.45025902701248 15.999 > 1 2 O 0.58660198481040 0.18989162720376 0.45025902701248 15.999 > 1 3 O 0.91993531814374 0.18989162720376 0.45025902701248 15.999 > 1 4 O 0.25326865147707 0.68989162720376 0.45025902701248 15.999 > 1 5 O 0.58660198481040 0.68989162720376 0.45025902701248 15.999 > 1 6 O 0.91993531814374 0.68989162720376 0.45025902701248 15.999 > 1 7 O 0.25326865147707 0.18989162720376 0.95025902701248 15.999 > 1 8 O 0.58660198481040 0.18989162720376 0.95025902701248 15.999 > 1 9 O 0.91993531814374 0.18989162720376 0.95025902701248 15.999 > 1 10 O 0.25326865147707 0.68989162720376 0.95025902701248 15.999 > 1 11 O 0.58660198481040 0.68989162720376 0.95025902701248 15.999 > 1 12 O 0.91993531814374 0.68989162720376 0.95025902701248 15.999 > 1 13 O 0.08006468185626 0.18989162720376 0.29974097298752 15.999 > 13 14 O 0.41339801518960 0.18989162720376 0.29974097298752 15.999 > 13 15 O 0.74673134852293 0.18989162720376 0.29974097298752 15.999 > 13 16 O 0.08006468185626 0.68989162720376 0.29974097298752 15.999 > 13 17 O 0.41339801518960 0.68989162720376 0.29974097298752 15.999 > 13 18 O 0.74673134852293 0.68989162720376 0.29974097298752 15.999 > 13 19 O 0.08006468185626 0.18989162720376 0.79974097298752 15.999 > 13 20 O 0.41339801518960 0.18989162720376 0.79974097298752 15.999 > 13 21 O 0.74673134852293 0.18989162720376 0.79974097298752 15.999 > 13 22 O 0.08006468185626 0.68989162720376 0.79974097298752 15.999 > 13 23 O 0.41339801518960 0.68989162720376 0.79974097298752 15.999 > 13 24 O 0.74673134852293 0.68989162720376 0.79974097298752 15.999 > 13 25 O 0.08006468185626 0.31010837279624 0.04974097298752 15.999 > 25 26 O 0.41339801518960 0.31010837279624 0.04974097298752 15.999 > 25 27 O 0.74673134852293 0.31010837279624 0.04974097298752 15.999 > 25 28 O 0.08006468185626 0.81010837279624 0.04974097298752 15.999 > 25 29 O 0.41339801518960 0.81010837279624 0.04974097298752 15.999 > 25 30 O 0.74673134852293 0.81010837279624 0.04974097298752 15.999 > 25 31 O 0.08006468185626 0.31010837279624 0.54974097298752 15.999 > 25 32 O 0.41339801518960 0.31010837279624 0.54974097298752 15.999 > 25 33 O 0.74673134852293 0.31010837279624 0.54974097298752 15.999 > 25 34 O 0.08006468185626 0.81010837279624 0.54974097298752 15.999 > 25 35 O 0.41339801518960 0.81010837279624 0.54974097298752 15.999 > 25 36 O 0.74673134852293 0.81010837279624 0.54974097298752 15.999 > 25 37 O 0.25326865147707 0.31010837279624 0.20025902701248 15.999 > 37 38 O 0.58660198481040 0.31010837279624 0.20025902701248 15.999 > 37 39 O 0.91993531814374 0.31010837279624 0.20025902701248 15.999 > 37 40 O 0.25326865147707 0.81010837279624 0.20025902701248 15.999 > 37 41 O 0.58660198481040 0.81010837279624 0.20025902701248 15.999 > 37 42 O 0.91993531814374 0.81010837279624 0.20025902701248 15.999 > 37 43 O 0.25326865147707 0.31010837279624 0.70025902701248 15.999 > 37 44 O 0.58660198481040 0.31010837279624 0.70025902701248 15.999 > 37 45 O 0.91993531814374 0.31010837279624 0.70025902701248 15.999 > 37 46 O 0.25326865147707 0.81010837279624 0.70025902701248 15.999 > 37 47 O 0.58660198481040 0.81010837279624 0.70025902701248 15.999 > 37 48 O 0.91993531814374 0.81010837279624 0.70025902701248 15.999 > 37 49 O 0.23810756558592 0.44878672109446 0.46782435592734 15.999 > 49 50 O 0.57144089891926 0.44878672109446 0.46782435592734 15.999 > 49 51 O 0.90477423225259 0.44878672109446 0.46782435592734 15.999 > 49 52 O 0.23810756558592 0.94878672109446 0.46782435592734 15.999 > 49 53 O 0.57144089891926 0.94878672109446 0.46782435592734 15.999 > 49 54 O 0.90477423225259 0.94878672109446 0.46782435592734 15.999 > 49 55 O 0.23810756558592 0.44878672109446 0.96782435592734 15.999 > 49 56 O 0.57144089891926 0.44878672109446 0.96782435592734 15.999 > 49 57 O 0.90477423225259 0.44878672109446 0.96782435592734 15.999 > 49 58 O 0.23810756558592 0.94878672109446 0.96782435592734 15.999 > 49 59 O 0.57144089891926 0.94878672109446 0.96782435592734 15.999 > 49 60 O 0.90477423225259 0.94878672109446 0.96782435592734 15.999 > 49 61 O 0.09522576774741 0.44878672109446 0.28217564407266 15.999 > 61 62 O 0.42855910108074 0.44878672109446 0.28217564407266 15.999 > 61 63 O 0.76189243441408 0.44878672109446 0.28217564407266 15.999 > 61 64 O 0.09522576774741 0.94878672109446 0.28217564407266 15.999 > 61 65 O 0.42855910108074 0.94878672109446 0.28217564407266 15.999 > 61 66 O 0.76189243441408 0.94878672109446 0.28217564407266 15.999 > 61 67 O 0.09522576774741 0.44878672109446 0.78217564407266 15.999 > 61 68 O 0.42855910108074 0.44878672109446 0.78217564407266 15.999 > 61 69 O 0.76189243441408 0.44878672109446 0.78217564407266 15.999 > 61 70 O 0.09522576774741 0.94878672109446 0.78217564407266 15.999 > 61 71 O 0.42855910108074 0.94878672109446 0.78217564407266 15.999 > 61 72 O 0.76189243441408 0.94878672109446 0.78217564407266 15.999 > 61 73 O 0.09522576774741 0.05121327890554 0.03217564407266 15.999 > 73 74 O 0.42855910108074 0.05121327890554 0.03217564407266 15.999 > 73 75 O 0.76189243441408 0.05121327890554 0.03217564407266 15.999 > 73 76 O 0.09522576774741 0.55121327890554 0.03217564407266 15.999 > 73 77 O 0.42855910108074 0.55121327890554 0.03217564407266 15.999 > 73 78 O 0.76189243441408 0.55121327890554 0.03217564407266 15.999 > 73 79 O 0.09522576774741 0.05121327890554 0.53217564407266 15.999 > 73 80 O 0.42855910108074 0.05121327890554 0.53217564407266 15.999 > 73 81 O 0.76189243441408 0.05121327890554 0.53217564407266 15.999 > 73 82 O 0.09522576774741 0.55121327890554 0.53217564407266 15.999 > 73 83 O 0.42855910108074 0.55121327890554 0.53217564407266 15.999 > 73 84 O 0.76189243441408 0.55121327890554 0.53217564407266 15.999 > 73 85 O 0.23810756558592 0.05121327890554 0.21782435592734 15.999 > 85 86 O 0.57144089891926 0.05121327890554 0.21782435592734 15.999 > 85 87 O 0.90477423225259 0.05121327890554 0.21782435592734 15.999 > 85 88 O 0.23810756558592 0.55121327890554 0.21782435592734 15.999 > 85 89 O 0.57144089891926 0.55121327890554 0.21782435592734 15.999 > 85 90 O 0.90477423225259 0.55121327890554 0.21782435592734 15.999 > 85 91 O 0.23810756558592 0.05121327890554 0.71782435592734 15.999 > 85 92 O 0.57144089891926 0.05121327890554 0.71782435592734 15.999 > 85 93 O 0.90477423225259 0.05121327890554 0.71782435592734 15.999 > 85 94 O 0.23810756558592 0.55121327890554 0.71782435592734 15.999 > 85 95 O 0.57144089891926 0.55121327890554 0.71782435592734 15.999 > 85 96 O 0.90477423225259 0.55121327890554 0.71782435592734 15.999 > 85 97 In 0.00000000000000 0.33812554805881 0.37500000000000 114.818 > 97 98 In 0.33333333333333 0.33812554805881 0.37500000000000 114.818 > 97 99 In 0.66666666666667 0.33812554805881 0.37500000000000 114.818 > 97 100 In 0.00000000000000 0.83812554805881 0.37500000000000 114.818 > 97 101 In 0.33333333333333 0.83812554805881 0.37500000000000 114.818 > 97 102 In 0.66666666666667 0.83812554805881 0.37500000000000 114.818 > 97 103 In 0.00000000000000 0.33812554805881 0.87500000000000 114.818 > 97 104 In 0.33333333333333 0.33812554805881 0.87500000000000 114.818 > 97 105 In 0.66666666666667 0.33812554805881 0.87500000000000 114.818 > 97 106 In 0.00000000000000 0.83812554805881 0.87500000000000 114.818 > 97 107 In 0.33333333333333 0.83812554805881 0.87500000000000 114.818 > 97 108 In 0.66666666666667 0.83812554805881 0.87500000000000 114.818 > 97 109 In 0.00000000000000 0.16187445194118 0.12500000000000 114.818 > 109 110 In 0.33333333333333 0.16187445194118 0.12500000000000 114.818 > 109 111 In 0.66666666666667 0.16187445194118 0.12500000000000 114.818 > 109 112 In 0.00000000000000 0.66187445194118 0.12500000000000 114.818 > 109 113 In 0.33333333333333 0.66187445194118 0.12500000000000 114.818 > 109 114 In 0.66666666666667 0.66187445194118 0.12500000000000 114.818 > 109 115 In 0.00000000000000 0.16187445194118 0.62500000000000 114.818 > 109 116 In 0.33333333333333 0.16187445194118 0.62500000000000 114.818 > 109 117 In 0.66666666666667 0.16187445194118 0.62500000000000 114.818 > 109 118 In 0.00000000000000 0.66187445194118 0.62500000000000 114.818 > 109 119 In 0.33333333333333 0.66187445194118 0.62500000000000 114.818 > 109 120 In 0.66666666666667 0.66187445194118 0.62500000000000 114.818 > 109 121 Ta 0.16666666666667 0.08585375744185 0.37500000000000 180.948 > 121 122 Ta 0.50000000000000 0.08585375744185 0.37500000000000 180.948 > 121 123 Ta 0.83333333333333 0.08585375744185 0.37500000000000 180.948 > 121 124 Ta 0.16666666666667 0.58585375744185 0.37500000000000 180.948 > 121 125 Ta 0.50000000000000 0.58585375744185 0.37500000000000 180.948 > 121 126 Ta 0.83333333333333 0.58585375744185 0.37500000000000 180.948 > 121 127 Ta 0.16666666666667 0.08585375744185 0.87500000000000 180.948 > 121 128 Ta 0.50000000000000 0.08585375744185 0.87500000000000 180.948 > 121 129 Ta 0.83333333333333 0.08585375744185 0.87500000000000 180.948 > 121 130 Ta 0.16666666666667 0.58585375744185 0.87500000000000 180.948 > 121 131 Ta 0.50000000000000 0.58585375744185 0.87500000000000 180.948 > 121 132 Ta 0.83333333333333 0.58585375744185 0.87500000000000 180.948 > 121 133 Ta 0.16666666666667 0.41414624255815 0.12500000000000 180.948 > 133 134 Ta 0.50000000000000 0.41414624255815 0.12500000000000 180.948 > 133 135 Ta 0.83333333333333 0.41414624255815 0.12500000000000 180.948 > 133 136 Ta 0.16666666666667 0.91414624255815 0.12500000000000 180.948 > 133 137 Ta 0.50000000000000 0.91414624255815 0.12500000000000 180.948 > 133 138 Ta 0.83333333333333 0.91414624255815 0.12500000000000 180.948 > 133 139 Ta 0.16666666666667 0.41414624255815 0.62500000000000 180.948 > 133 140 Ta 0.50000000000000 0.41414624255815 0.62500000000000 180.948 > 133 141 Ta 0.83333333333333 0.41414624255815 0.62500000000000 180.948 > 133 142 Ta 0.16666666666667 0.91414624255815 0.62500000000000 180.948 > 133 143 Ta 0.50000000000000 0.91414624255815 0.62500000000000 180.948 > 133 144 Ta 0.83333333333333 0.91414624255815 0.62500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9238061 0.0000000 0.1102561 0.0000000 4.7930298 0.0000000 0.1102573 0.0000000 5.0927592 -------------------------- Born effective charges -------------------------- 1 O -2.6271951 -1.1876595 -0.8381525 -1.3053360 -2.5900995 -0.5708663 -0.9172123 -0.4785912 -2.0951894 2 O -2.6271951 1.1876595 -0.8381525 1.3053360 -2.5900995 0.5708663 -0.9172123 0.4785912 -2.0951894 3 O -2.6271951 -1.1876595 -0.8381525 -1.3053360 -2.5900995 -0.5708663 -0.9172123 -0.4785912 -2.0951894 4 O -2.6271951 1.1876595 -0.8381525 1.3053360 -2.5900995 0.5708663 -0.9172123 0.4785912 -2.0951894 5 O -2.2286134 0.5262648 0.6587279 0.5376218 -2.2243331 0.5585981 0.7311661 0.7659860 -3.1454267 6 O -2.2286134 -0.5262648 0.6587279 -0.5376218 -2.2243331 -0.5585981 0.7311661 -0.7659860 -3.1454267 7 O -2.2286134 0.5262648 0.6587279 0.5376218 -2.2243331 0.5585981 0.7311661 0.7659860 -3.1454267 8 O -2.2286134 -0.5262648 0.6587279 -0.5376218 -2.2243331 -0.5585981 0.7311661 -0.7659860 -3.1454267 9 In 4.3197873 0.0000000 -0.0127277 0.0000000 3.7434762 0.0000000 0.0129795 0.0000000 3.6247129 10 In 4.3197873 0.0000000 -0.0127277 0.0000000 3.7434762 0.0000000 0.0129795 0.0000000 3.6247129 11 Ta 5.3918297 0.0000000 0.3715767 0.0000000 5.8853889 0.0000000 0.3591129 0.0000000 6.8565193 12 Ta 5.3918297 0.0000000 0.3715767 0.0000000 5.8853889 0.0000000 0.3591129 0.0000000 6.8565193 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:09:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:09:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.840342820013049 0.000000000000000 0.000000000000000 b 0.000000000000000 5.808555510000000 0.000000000000000 c -0.113281830764457 0.000000000000000 5.167954856956579 Atomic positions (fractional): 1 O 0.75980595443121 0.37978325440752 0.90051805402496 15.999 2 O 0.24019404556879 0.37978325440752 0.59948194597504 15.999 3 O 0.24019404556879 0.62021674559248 0.09948194597504 15.999 4 O 0.75980595443121 0.62021674559248 0.40051805402496 15.999 5 O 0.71432269675777 0.89757344218891 0.93564871185468 15.999 6 O 0.28567730324223 0.89757344218891 0.56435128814532 15.999 7 O 0.28567730324223 0.10242655781109 0.06435128814532 15.999 8 O 0.71432269675777 0.10242655781109 0.43564871185468 15.999 9 In 0.00000000000000 0.67625109611763 0.75000000000000 114.818 10 In 0.00000000000000 0.32374890388237 0.25000000000000 114.818 11 Ta 0.50000000000000 0.17170751488370 0.75000000000000 180.948 12 Ta 0.50000000000000 0.82829248511630 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.521028460039147 0.000000000000000 0.000000000000000 b 0.000000000000000 11.617111019999999 0.000000000000000 c -0.226563661528914 0.000000000000000 10.335909713913159 Atomic positions (fractional): 1 O 0.25326865147707 0.18989162720376 0.45025902701248 15.999 > 1 2 O 0.58660198481040 0.18989162720376 0.45025902701248 15.999 > 1 3 O 0.91993531814374 0.18989162720376 0.45025902701248 15.999 > 1 4 O 0.25326865147707 0.68989162720376 0.45025902701248 15.999 > 1 5 O 0.58660198481040 0.68989162720376 0.45025902701248 15.999 > 1 6 O 0.91993531814374 0.68989162720376 0.45025902701248 15.999 > 1 7 O 0.25326865147707 0.18989162720376 0.95025902701248 15.999 > 1 8 O 0.58660198481040 0.18989162720376 0.95025902701248 15.999 > 1 9 O 0.91993531814374 0.18989162720376 0.95025902701248 15.999 > 1 10 O 0.25326865147707 0.68989162720376 0.95025902701248 15.999 > 1 11 O 0.58660198481040 0.68989162720376 0.95025902701248 15.999 > 1 12 O 0.91993531814374 0.68989162720376 0.95025902701248 15.999 > 1 13 O 0.08006468185626 0.18989162720376 0.29974097298752 15.999 > 13 14 O 0.41339801518960 0.18989162720376 0.29974097298752 15.999 > 13 15 O 0.74673134852293 0.18989162720376 0.29974097298752 15.999 > 13 16 O 0.08006468185626 0.68989162720376 0.29974097298752 15.999 > 13 17 O 0.41339801518960 0.68989162720376 0.29974097298752 15.999 > 13 18 O 0.74673134852293 0.68989162720376 0.29974097298752 15.999 > 13 19 O 0.08006468185626 0.18989162720376 0.79974097298752 15.999 > 13 20 O 0.41339801518960 0.18989162720376 0.79974097298752 15.999 > 13 21 O 0.74673134852293 0.18989162720376 0.79974097298752 15.999 > 13 22 O 0.08006468185626 0.68989162720376 0.79974097298752 15.999 > 13 23 O 0.41339801518960 0.68989162720376 0.79974097298752 15.999 > 13 24 O 0.74673134852293 0.68989162720376 0.79974097298752 15.999 > 13 25 O 0.08006468185626 0.31010837279624 0.04974097298752 15.999 > 25 26 O 0.41339801518960 0.31010837279624 0.04974097298752 15.999 > 25 27 O 0.74673134852293 0.31010837279624 0.04974097298752 15.999 > 25 28 O 0.08006468185626 0.81010837279624 0.04974097298752 15.999 > 25 29 O 0.41339801518960 0.81010837279624 0.04974097298752 15.999 > 25 30 O 0.74673134852293 0.81010837279624 0.04974097298752 15.999 > 25 31 O 0.08006468185626 0.31010837279624 0.54974097298752 15.999 > 25 32 O 0.41339801518960 0.31010837279624 0.54974097298752 15.999 > 25 33 O 0.74673134852293 0.31010837279624 0.54974097298752 15.999 > 25 34 O 0.08006468185626 0.81010837279624 0.54974097298752 15.999 > 25 35 O 0.41339801518960 0.81010837279624 0.54974097298752 15.999 > 25 36 O 0.74673134852293 0.81010837279624 0.54974097298752 15.999 > 25 37 O 0.25326865147707 0.31010837279624 0.20025902701248 15.999 > 37 38 O 0.58660198481040 0.31010837279624 0.20025902701248 15.999 > 37 39 O 0.91993531814374 0.31010837279624 0.20025902701248 15.999 > 37 40 O 0.25326865147707 0.81010837279624 0.20025902701248 15.999 > 37 41 O 0.58660198481040 0.81010837279624 0.20025902701248 15.999 > 37 42 O 0.91993531814374 0.81010837279624 0.20025902701248 15.999 > 37 43 O 0.25326865147707 0.31010837279624 0.70025902701248 15.999 > 37 44 O 0.58660198481040 0.31010837279624 0.70025902701248 15.999 > 37 45 O 0.91993531814374 0.31010837279624 0.70025902701248 15.999 > 37 46 O 0.25326865147707 0.81010837279624 0.70025902701248 15.999 > 37 47 O 0.58660198481040 0.81010837279624 0.70025902701248 15.999 > 37 48 O 0.91993531814374 0.81010837279624 0.70025902701248 15.999 > 37 49 O 0.23810756558592 0.44878672109446 0.46782435592734 15.999 > 49 50 O 0.57144089891926 0.44878672109446 0.46782435592734 15.999 > 49 51 O 0.90477423225259 0.44878672109446 0.46782435592734 15.999 > 49 52 O 0.23810756558592 0.94878672109446 0.46782435592734 15.999 > 49 53 O 0.57144089891926 0.94878672109446 0.46782435592734 15.999 > 49 54 O 0.90477423225259 0.94878672109446 0.46782435592734 15.999 > 49 55 O 0.23810756558592 0.44878672109446 0.96782435592734 15.999 > 49 56 O 0.57144089891926 0.44878672109446 0.96782435592734 15.999 > 49 57 O 0.90477423225259 0.44878672109446 0.96782435592734 15.999 > 49 58 O 0.23810756558592 0.94878672109446 0.96782435592734 15.999 > 49 59 O 0.57144089891926 0.94878672109446 0.96782435592734 15.999 > 49 60 O 0.90477423225259 0.94878672109446 0.96782435592734 15.999 > 49 61 O 0.09522576774741 0.44878672109446 0.28217564407266 15.999 > 61 62 O 0.42855910108074 0.44878672109446 0.28217564407266 15.999 > 61 63 O 0.76189243441408 0.44878672109446 0.28217564407266 15.999 > 61 64 O 0.09522576774741 0.94878672109446 0.28217564407266 15.999 > 61 65 O 0.42855910108074 0.94878672109446 0.28217564407266 15.999 > 61 66 O 0.76189243441408 0.94878672109446 0.28217564407266 15.999 > 61 67 O 0.09522576774741 0.44878672109446 0.78217564407266 15.999 > 61 68 O 0.42855910108074 0.44878672109446 0.78217564407266 15.999 > 61 69 O 0.76189243441408 0.44878672109446 0.78217564407266 15.999 > 61 70 O 0.09522576774741 0.94878672109446 0.78217564407266 15.999 > 61 71 O 0.42855910108074 0.94878672109446 0.78217564407266 15.999 > 61 72 O 0.76189243441408 0.94878672109446 0.78217564407266 15.999 > 61 73 O 0.09522576774741 0.05121327890554 0.03217564407266 15.999 > 73 74 O 0.42855910108074 0.05121327890554 0.03217564407266 15.999 > 73 75 O 0.76189243441408 0.05121327890554 0.03217564407266 15.999 > 73 76 O 0.09522576774741 0.55121327890554 0.03217564407266 15.999 > 73 77 O 0.42855910108074 0.55121327890554 0.03217564407266 15.999 > 73 78 O 0.76189243441408 0.55121327890554 0.03217564407266 15.999 > 73 79 O 0.09522576774741 0.05121327890554 0.53217564407266 15.999 > 73 80 O 0.42855910108074 0.05121327890554 0.53217564407266 15.999 > 73 81 O 0.76189243441408 0.05121327890554 0.53217564407266 15.999 > 73 82 O 0.09522576774741 0.55121327890554 0.53217564407266 15.999 > 73 83 O 0.42855910108074 0.55121327890554 0.53217564407266 15.999 > 73 84 O 0.76189243441408 0.55121327890554 0.53217564407266 15.999 > 73 85 O 0.23810756558592 0.05121327890554 0.21782435592734 15.999 > 85 86 O 0.57144089891926 0.05121327890554 0.21782435592734 15.999 > 85 87 O 0.90477423225259 0.05121327890554 0.21782435592734 15.999 > 85 88 O 0.23810756558592 0.55121327890554 0.21782435592734 15.999 > 85 89 O 0.57144089891926 0.55121327890554 0.21782435592734 15.999 > 85 90 O 0.90477423225259 0.55121327890554 0.21782435592734 15.999 > 85 91 O 0.23810756558592 0.05121327890554 0.71782435592734 15.999 > 85 92 O 0.57144089891926 0.05121327890554 0.71782435592734 15.999 > 85 93 O 0.90477423225259 0.05121327890554 0.71782435592734 15.999 > 85 94 O 0.23810756558592 0.55121327890554 0.71782435592734 15.999 > 85 95 O 0.57144089891926 0.55121327890554 0.71782435592734 15.999 > 85 96 O 0.90477423225259 0.55121327890554 0.71782435592734 15.999 > 85 97 In 0.00000000000000 0.33812554805881 0.37500000000000 114.818 > 97 98 In 0.33333333333333 0.33812554805881 0.37500000000000 114.818 > 97 99 In 0.66666666666667 0.33812554805881 0.37500000000000 114.818 > 97 100 In 0.00000000000000 0.83812554805881 0.37500000000000 114.818 > 97 101 In 0.33333333333333 0.83812554805881 0.37500000000000 114.818 > 97 102 In 0.66666666666667 0.83812554805881 0.37500000000000 114.818 > 97 103 In 0.00000000000000 0.33812554805881 0.87500000000000 114.818 > 97 104 In 0.33333333333333 0.33812554805881 0.87500000000000 114.818 > 97 105 In 0.66666666666667 0.33812554805881 0.87500000000000 114.818 > 97 106 In 0.00000000000000 0.83812554805881 0.87500000000000 114.818 > 97 107 In 0.33333333333333 0.83812554805881 0.87500000000000 114.818 > 97 108 In 0.66666666666667 0.83812554805881 0.87500000000000 114.818 > 97 109 In 0.00000000000000 0.16187445194118 0.12500000000000 114.818 > 109 110 In 0.33333333333333 0.16187445194118 0.12500000000000 114.818 > 109 111 In 0.66666666666667 0.16187445194118 0.12500000000000 114.818 > 109 112 In 0.00000000000000 0.66187445194118 0.12500000000000 114.818 > 109 113 In 0.33333333333333 0.66187445194118 0.12500000000000 114.818 > 109 114 In 0.66666666666667 0.66187445194118 0.12500000000000 114.818 > 109 115 In 0.00000000000000 0.16187445194118 0.62500000000000 114.818 > 109 116 In 0.33333333333333 0.16187445194118 0.62500000000000 114.818 > 109 117 In 0.66666666666667 0.16187445194118 0.62500000000000 114.818 > 109 118 In 0.00000000000000 0.66187445194118 0.62500000000000 114.818 > 109 119 In 0.33333333333333 0.66187445194118 0.62500000000000 114.818 > 109 120 In 0.66666666666667 0.66187445194118 0.62500000000000 114.818 > 109 121 Ta 0.16666666666667 0.08585375744185 0.37500000000000 180.948 > 121 122 Ta 0.50000000000000 0.08585375744185 0.37500000000000 180.948 > 121 123 Ta 0.83333333333333 0.08585375744185 0.37500000000000 180.948 > 121 124 Ta 0.16666666666667 0.58585375744185 0.37500000000000 180.948 > 121 125 Ta 0.50000000000000 0.58585375744185 0.37500000000000 180.948 > 121 126 Ta 0.83333333333333 0.58585375744185 0.37500000000000 180.948 > 121 127 Ta 0.16666666666667 0.08585375744185 0.87500000000000 180.948 > 121 128 Ta 0.50000000000000 0.08585375744185 0.87500000000000 180.948 > 121 129 Ta 0.83333333333333 0.08585375744185 0.87500000000000 180.948 > 121 130 Ta 0.16666666666667 0.58585375744185 0.87500000000000 180.948 > 121 131 Ta 0.50000000000000 0.58585375744185 0.87500000000000 180.948 > 121 132 Ta 0.83333333333333 0.58585375744185 0.87500000000000 180.948 > 121 133 Ta 0.16666666666667 0.41414624255815 0.12500000000000 180.948 > 133 134 Ta 0.50000000000000 0.41414624255815 0.12500000000000 180.948 > 133 135 Ta 0.83333333333333 0.41414624255815 0.12500000000000 180.948 > 133 136 Ta 0.16666666666667 0.91414624255815 0.12500000000000 180.948 > 133 137 Ta 0.50000000000000 0.91414624255815 0.12500000000000 180.948 > 133 138 Ta 0.83333333333333 0.91414624255815 0.12500000000000 180.948 > 133 139 Ta 0.16666666666667 0.41414624255815 0.62500000000000 180.948 > 133 140 Ta 0.50000000000000 0.41414624255815 0.62500000000000 180.948 > 133 141 Ta 0.83333333333333 0.41414624255815 0.62500000000000 180.948 > 133 142 Ta 0.16666666666667 0.91414624255815 0.62500000000000 180.948 > 133 143 Ta 0.50000000000000 0.91414624255815 0.62500000000000 180.948 > 133 144 Ta 0.83333333333333 0.91414624255815 0.62500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9238061 0.0000000 0.1102561 0.0000000 4.7930298 0.0000000 0.1102573 0.0000000 5.0927592 -------------------------- Born effective charges -------------------------- 1 O -2.6271951 -1.1876595 -0.8381525 -1.3053360 -2.5900995 -0.5708663 -0.9172123 -0.4785912 -2.0951894 2 O -2.6271951 1.1876595 -0.8381525 1.3053360 -2.5900995 0.5708663 -0.9172123 0.4785912 -2.0951894 3 O -2.6271951 -1.1876595 -0.8381525 -1.3053360 -2.5900995 -0.5708663 -0.9172123 -0.4785912 -2.0951894 4 O -2.6271951 1.1876595 -0.8381525 1.3053360 -2.5900995 0.5708663 -0.9172123 0.4785912 -2.0951894 5 O -2.2286134 0.5262648 0.6587279 0.5376218 -2.2243331 0.5585981 0.7311661 0.7659860 -3.1454267 6 O -2.2286134 -0.5262648 0.6587279 -0.5376218 -2.2243331 -0.5585981 0.7311661 -0.7659860 -3.1454267 7 O -2.2286134 0.5262648 0.6587279 0.5376218 -2.2243331 0.5585981 0.7311661 0.7659860 -3.1454267 8 O -2.2286134 -0.5262648 0.6587279 -0.5376218 -2.2243331 -0.5585981 0.7311661 -0.7659860 -3.1454267 9 In 4.3197873 0.0000000 -0.0127277 0.0000000 3.7434762 0.0000000 0.0129795 0.0000000 3.6247129 10 In 4.3197873 0.0000000 -0.0127277 0.0000000 3.7434762 0.0000000 0.0129795 0.0000000 3.6247129 11 Ta 5.3918297 0.0000000 0.3715767 0.0000000 5.8853889 0.0000000 0.3591129 0.0000000 6.8565193 12 Ta 5.3918297 0.0000000 0.3715767 0.0000000 5.8853889 0.0000000 0.3591129 0.0000000 6.8565193 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 10 ] 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: 0.79, Number of G-points: 287, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/260) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 6.418 ( 0.000 0.000 0.000) 0.000 6.442 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.915 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 11.823 ( 0.000 0.000 0.000) 0.000 12.198 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.273 ( 0.000 0.000 0.000) 0.000 14.781 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.307 ( 0.000 0.000 0.000) 0.000 17.701 ( 0.000 0.000 0.000) 0.000 18.450 ( 0.000 0.000 0.000) 0.000 19.043 ( 0.000 0.000 0.000) 0.000 19.486 ( 0.000 0.000 0.000) 0.000 20.294 ( 0.000 0.000 0.000) 0.000 22.906 ( 0.000 0.000 0.000) 0.000 24.112 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/260) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 30.480 0.000 -10.181) 32.136 0.678 ( 31.880 0.000 22.263) 38.885 1.147 ( 54.419 0.000 8.582) 55.091 3.221 ( 2.731 0.000 4.442) 5.214 3.310 ( 1.233 0.000 0.478) 1.323 4.187 ( 5.883 0.000 -1.859) 6.170 4.629 ( 3.432 0.000 3.441) 4.860 4.845 ( -4.870 0.000 17.469) 18.135 5.205 ( -5.626 0.000 -13.178) 14.329 5.484 ( 6.553 0.000 -6.367) 9.136 5.750 ( -3.434 0.000 27.506) 27.719 6.360 ( -5.520 0.000 0.056) 5.521 7.566 ( 1.155 0.000 -67.683) 67.693 7.869 ( -3.931 0.000 -2.304) 4.556 8.189 ( 6.457 0.000 32.675) 33.307 8.259 ( -8.578 0.000 5.088) 9.974 8.333 ( -12.737 0.000 7.865) 14.969 8.598 ( -0.558 0.000 -16.260) 16.269 9.510 ( 2.567 0.000 6.803) 7.271 10.136 ( -12.606 0.000 71.441) 72.545 10.443 ( -3.593 0.000 9.774) 10.413 11.874 ( 4.221 0.000 8.213) 9.234 12.277 ( 7.381 0.000 -2.110) 7.676 13.107 ( -3.042 0.000 1.950) 3.613 14.030 ( -0.971 0.000 -2.250) 2.451 14.278 ( 0.730 0.000 -6.687) 6.727 15.245 ( -6.281 0.000 5.612) 8.423 15.308 ( 2.664 0.000 -10.589) 10.919 15.725 ( 9.271 0.000 -88.760) 89.243 17.587 ( -8.791 0.000 2.392) 9.110 19.197 ( 12.909 0.000 -1.642) 13.013 19.415 ( -6.925 0.000 5.350) 8.751 20.121 ( -15.696 0.000 -9.550) 18.374 22.978 ( 6.253 0.000 5.621) 8.408 23.403 ( -0.434 0.000 67.644) 67.645 24.097 ( -1.396 0.000 -0.449) 1.467 ======================= Grid point 2 (3/260) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 29.558 0.000 -9.237) 30.967 1.327 ( 29.793 0.000 20.077) 35.927 2.238 ( 50.375 0.000 6.719) 50.821 3.287 ( 2.750 0.000 6.775) 7.312 3.352 ( 2.666 0.000 1.256) 2.947 4.347 ( 8.751 0.000 -2.546) 9.113 4.714 ( -8.088 0.000 24.212) 25.527 4.725 ( 5.509 0.000 -1.510) 5.712 5.124 ( -0.917 0.000 -17.555) 17.579 5.606 ( 5.575 0.000 -11.188) 12.500 5.667 ( -5.551 0.000 19.053) 19.845 6.195 ( -10.292 0.000 0.811) 10.324 7.535 ( -2.569 0.000 -28.618) 28.733 7.767 ( -5.407 0.000 -4.315) 6.918 7.969 ( -19.623 0.000 0.805) 19.639 8.037 ( -14.784 0.000 12.380) 19.283 8.397 ( 12.497 0.000 9.954) 15.977 8.587 ( 0.385 0.000 -14.687) 14.692 9.563 ( 1.843 0.000 8.222) 8.426 9.865 ( -14.515 0.000 17.166) 22.480 10.326 ( -7.967 0.000 8.401) 11.578 11.981 ( 5.239 0.000 9.864) 11.169 12.474 ( 10.734 0.000 -1.909) 10.903 13.026 ( -4.211 0.000 1.077) 4.347 13.975 ( -4.517 0.000 7.238) 8.531 14.299 ( 1.603 0.000 -9.260) 9.398 15.050 ( -12.710 0.000 6.869) 14.447 15.403 ( 6.608 0.000 -10.482) 12.391 15.936 ( 14.173 0.000 -45.815) 47.957 17.440 ( -4.112 0.000 6.881) 8.016 19.211 ( -12.992 0.000 9.331) 15.996 19.471 ( 8.615 0.000 2.396) 8.942 19.704 ( -19.212 0.000 -20.984) 28.450 23.132 ( 7.494 0.000 8.074) 11.016 23.432 ( 0.999 0.000 30.905) 30.921 24.058 ( -2.222 0.000 -0.868) 2.385 ======================= Grid point 3 (4/260) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 27.687 0.000 -8.134) 28.857 1.913 ( 25.622 0.000 16.139) 30.281 3.210 ( 42.324 0.000 1.313) 42.345 3.306 ( -2.218 0.000 7.005) 7.348 3.411 ( 3.017 0.000 4.120) 5.106 4.472 ( 0.722 0.000 1.004) 1.237 4.593 ( -2.043 0.000 15.879) 16.010 4.849 ( 6.622 0.000 -4.418) 7.961 5.184 ( 8.071 0.000 -12.341) 14.746 5.546 ( -6.632 0.000 16.610) 17.885 5.703 ( 4.286 0.000 -13.560) 14.221 5.942 ( -14.177 0.000 1.908) 14.305 7.423 ( -7.005 0.000 -17.659) 18.998 7.533 ( -21.586 0.000 1.952) 21.674 7.662 ( -4.290 0.000 -3.301) 5.413 7.715 ( -16.243 0.000 11.677) 20.004 8.606 ( 2.024 0.000 -11.340) 11.519 8.695 ( 15.367 0.000 4.663) 16.059 9.588 ( 0.337 0.000 6.813) 6.821 9.592 ( -11.358 0.000 -2.244) 11.577 10.132 ( -10.986 0.000 8.841) 14.101 12.085 ( 4.252 0.000 7.397) 8.532 12.637 ( 2.217 0.000 3.961) 4.540 13.004 ( 4.839 0.000 -6.202) 7.866 13.862 ( -6.191 0.000 6.966) 9.319 14.331 ( 1.434 0.000 -5.408) 5.595 14.753 ( -15.093 0.000 3.099) 15.408 15.535 ( 5.808 0.000 -7.223) 9.269 16.268 ( 19.166 0.000 -29.739) 35.380 17.452 ( 4.947 0.000 12.989) 13.899 18.902 ( -16.835 0.000 11.050) 20.138 19.091 ( -27.639 0.000 -14.966) 31.431 19.784 ( 10.570 0.000 -7.436) 12.924 23.272 ( 5.449 0.000 7.408) 9.196 23.468 ( 1.282 0.000 17.103) 17.151 24.010 ( -2.176 0.000 -1.092) 2.434 ======================= Grid point 4 (5/260) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 24.105 0.000 -7.162) 25.146 2.372 ( 17.165 0.000 9.823) 19.777 3.173 ( -11.045 0.000 6.659) 12.898 3.420 ( -0.682 0.000 -0.451) 0.818 3.987 ( 29.637 0.000 1.432) 29.671 4.441 ( -1.164 0.000 7.679) 7.766 4.596 ( -0.232 0.000 0.211) 0.314 5.004 ( 9.005 0.000 -4.782) 10.196 5.419 ( -6.030 0.000 13.368) 14.665 5.425 ( 13.838 0.000 -3.183) 14.199 5.620 ( -16.676 0.000 1.285) 16.725 5.759 ( 1.145 0.000 -12.738) 12.789 7.124 ( -16.562 0.000 2.755) 16.790 7.264 ( -6.569 0.000 -10.460) 12.352 7.417 ( -11.784 0.000 7.978) 14.231 7.590 ( -2.513 0.000 -1.412) 2.883 8.652 ( 2.369 0.000 -6.493) 6.912 8.997 ( 12.075 0.000 7.264) 14.092 9.427 ( -3.300 0.000 -14.518) 14.888 9.588 ( -0.435 0.000 3.957) 3.981 9.893 ( -11.942 0.000 10.096) 15.638 12.157 ( 2.404 0.000 3.741) 4.447 12.591 ( -3.956 0.000 3.878) 5.540 13.192 ( 10.514 0.000 -7.120) 12.698 13.751 ( -4.296 0.000 3.829) 5.754 14.306 ( -5.639 0.000 6.543) 8.638 14.510 ( -5.593 0.000 -6.609) 8.658 15.623 ( 2.859 0.000 -3.848) 4.794 16.651 ( 16.974 0.000 -16.871) 23.932 17.649 ( 13.163 0.000 17.817) 22.151 18.521 ( -25.830 0.000 -19.113) 32.133 18.563 ( -14.871 0.000 9.122) 17.445 19.953 ( 5.710 0.000 -3.697) 6.802 23.359 ( 2.644 0.000 4.393) 5.128 23.496 ( 0.839 0.000 8.094) 8.137 23.972 ( -1.322 0.000 -0.823) 1.557 ======================= Grid point 5 (6/260) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.000 0.000 0.000) 0.000 2.744 ( -0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 -0.000) 0.000 3.401 ( 0.000 0.000 -0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 -0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 5.208 ( -0.000 0.000 -0.000) 0.000 5.287 ( 0.000 0.000 -0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 -0.000) 0.000 6.934 ( 0.000 0.000 -0.000) 0.000 7.187 ( 0.000 0.000 -0.000) 0.000 7.288 ( 0.000 0.000 -0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 8.678 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 -0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.583 ( 0.000 0.000 -0.000) 0.000 9.726 ( 0.000 0.000 -0.000) 0.000 12.184 ( 0.000 0.000 -0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 13.321 ( 0.000 0.000 0.000) 0.000 13.705 ( 0.000 0.000 -0.000) 0.000 14.206 ( 0.000 0.000 -0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 15.651 ( 0.000 0.000 -0.000) 0.000 16.848 ( 0.000 0.000 -0.000) 0.000 17.947 ( 0.000 0.000 -0.000) 0.000 18.089 ( 0.000 0.000 0.000) 0.000 18.388 ( 0.000 0.000 0.000) 0.000 20.012 ( 0.000 0.000 -0.000) 0.000 23.387 ( 0.000 0.000 0.000) 0.000 23.507 ( 0.000 0.000 -0.000) 0.000 23.958 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/260) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 27.787 0.000) 27.787 0.609 ( 0.000 31.351 0.000) 31.351 1.060 ( 0.000 54.447 0.000) 54.447 3.163 ( 0.000 -2.877 0.000) 2.877 3.413 ( 0.000 11.728 0.000) 11.728 3.911 ( 0.000 -15.451 0.000) 15.451 4.654 ( 0.000 6.566 0.000) 6.566 4.869 ( 0.000 4.711 0.000) 4.711 5.335 ( 0.000 1.595 0.000) 1.595 5.504 ( 0.000 11.785 0.000) 11.785 5.523 ( 0.000 -6.607 0.000) 6.607 6.338 ( 0.000 -8.349 0.000) 8.349 6.490 ( 0.000 4.821 0.000) 4.821 7.696 ( 0.000 -5.136 0.000) 5.136 7.946 ( 0.000 3.044 0.000) 3.044 8.344 ( 0.000 -0.419 0.000) 0.419 8.602 ( 0.000 -1.175 0.000) 1.175 9.194 ( 0.000 -7.267 0.000) 7.267 10.048 ( 0.000 10.917 0.000) 10.917 10.282 ( 0.000 -2.995 0.000) 2.995 10.628 ( 0.000 10.330 0.000) 10.330 11.805 ( 0.000 -1.949 0.000) 1.949 12.121 ( 0.000 -7.567 0.000) 7.567 13.987 ( 0.000 -2.340 0.000) 2.340 14.031 ( 0.000 2.690 0.000) 2.690 14.229 ( 0.000 -4.498 0.000) 4.498 14.743 ( 0.000 -2.979 0.000) 2.979 15.308 ( 0.000 1.847 0.000) 1.847 17.155 ( 0.000 -4.994 0.000) 4.994 18.425 ( 0.000 -2.265 0.000) 2.265 19.101 ( 0.000 5.530 0.000) 5.530 19.522 ( 0.000 3.584 0.000) 3.584 20.273 ( 0.000 -2.186 0.000) 2.186 20.315 ( 0.000 -1.082 0.000) 1.082 23.892 ( 0.000 -1.872 0.000) 1.872 24.131 ( 0.000 1.761 0.000) 1.761 ======================= Grid point 12 (8/260) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 15.928 13.926 5.069) 21.756 0.883 ( 24.639 17.363 22.765) 37.773 1.640 ( 40.099 37.246 -4.881) 54.946 3.193 ( 2.663 -2.923 4.331) 5.864 3.413 ( 0.080 10.572 0.446) 10.581 3.980 ( 6.274 -15.966 -1.262) 17.201 4.664 ( 0.633 4.885 2.428) 5.491 5.073 ( 6.521 11.140 6.163) 14.304 5.182 ( -9.532 1.344 -3.065) 10.103 5.473 ( 4.451 -1.354 -4.615) 6.553 5.722 ( 3.035 -0.888 15.251) 15.576 6.286 ( -4.958 -7.740 0.368) 9.199 6.908 ( 27.271 -27.638 -18.431) 42.980 7.711 ( 0.683 -4.658 0.545) 4.739 7.923 ( -1.581 -0.843 10.346) 10.500 8.260 ( -8.095 -0.391 3.004) 8.643 8.463 ( -11.914 1.507 -2.245) 12.217 9.112 ( -7.553 2.787 -5.201) 9.584 9.755 ( -11.234 18.981 -35.999) 42.218 10.269 ( -9.065 5.281 58.209) 59.147 10.557 ( -4.445 13.360 5.757) 15.212 11.820 ( 2.691 -2.989 4.348) 5.923 12.222 ( 8.842 -6.722 -5.905) 12.580 13.499 ( -22.913 21.201 22.888) 38.709 14.015 ( -1.632 -2.423 -2.579) 3.897 14.240 ( 1.430 -4.001 -5.077) 6.620 15.111 ( 15.026 -2.895 -13.177) 20.194 15.407 ( 9.725 1.146 -5.812) 11.387 16.148 ( -46.878 28.484 -54.565) 77.370 17.676 ( -15.913 8.516 -1.564) 18.117 19.166 ( 9.299 -2.257 0.053) 9.570 19.453 ( -6.078 3.145 3.840) 7.847 20.116 ( -14.089 -0.426 -7.760) 16.090 21.965 ( 56.347 -52.622 36.083) 85.123 23.751 ( -8.538 8.458 18.008) 21.650 24.111 ( -1.815 1.395 0.064) 2.291 ======================= Grid point 13 (9/260) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 28.192 -5.587 -3.620) 28.967 1.450 ( 27.611 9.099 22.354) 36.673 2.504 ( 41.898 22.312 -1.647) 47.497 3.258 ( 2.788 -2.984 6.605) 7.765 3.421 ( 0.657 7.526 1.534) 7.709 4.157 ( 10.568 -15.638 -1.784) 18.959 4.658 ( -2.199 4.292 9.105) 10.303 4.954 ( -8.149 6.022 0.706) 10.157 5.214 ( 5.796 10.845 -6.728) 14.017 5.558 ( 2.877 -3.653 -9.866) 10.907 5.715 ( -2.464 4.363 15.421) 16.214 6.139 ( -9.096 -5.759 0.970) 10.809 7.282 ( 9.407 -23.619 -17.168) 30.677 7.649 ( -7.437 -1.992 -8.901) 11.769 7.901 ( -8.423 -8.405 13.252) 17.810 8.067 ( -3.815 -9.840 1.818) 10.709 8.211 ( -9.276 12.296 8.540) 17.612 8.967 ( -4.318 10.853 -9.203) 14.871 9.636 ( -1.994 9.719 -16.665) 19.395 10.022 ( -14.558 10.431 25.811) 31.416 10.460 ( -5.605 14.762 7.727) 17.580 11.907 ( 4.566 -5.121 7.462) 10.137 12.450 ( 12.817 -4.687 -6.354) 15.054 13.183 ( -10.936 13.402 10.603) 20.289 13.941 ( -5.318 -3.171 4.307) 7.542 14.291 ( 3.451 -1.473 -7.426) 8.320 15.111 ( -16.598 6.011 3.667) 18.030 15.460 ( 1.760 5.827 -7.273) 9.484 15.934 ( 18.044 0.483 -43.601) 47.189 17.459 ( -6.271 1.779 6.825) 9.438 19.129 ( -15.379 -6.247 3.400) 16.944 19.503 ( 11.723 -0.288 -0.938) 11.764 19.739 ( -20.499 5.025 -11.434) 24.004 22.687 ( 20.684 -30.881 20.426) 42.411 23.647 ( -2.470 10.117 15.458) 18.639 24.059 ( -3.177 0.076 -0.729) 3.260 ======================= Grid point 14 (10/260) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 27.272 -9.536 -4.858) 29.297 2.008 ( 25.015 5.445 16.995) 30.728 3.217 ( 8.608 -2.891 1.661) 9.231 3.347 ( 14.011 2.734 -3.322) 14.657 3.465 ( 11.170 8.951 9.963) 17.440 4.391 ( 11.364 -12.399 -1.701) 16.905 4.577 ( -4.979 5.299 14.050) 15.820 4.866 ( -0.078 1.531 -9.075) 9.204 5.360 ( 8.677 13.500 -6.383) 17.271 5.537 ( -4.737 -1.215 5.213) 7.148 5.693 ( -0.513 -0.011 0.578) 0.773 5.928 ( -10.328 -1.001 0.149) 10.378 7.326 ( -4.893 -14.477 -2.932) 15.560 7.440 ( -9.720 0.022 -13.449) 16.594 7.561 ( -18.411 -3.357 3.905) 19.118 7.940 ( -9.155 7.916 3.719) 12.661 8.289 ( 10.512 -10.790 6.904) 16.571 8.951 ( 3.040 8.227 -3.699) 9.519 9.590 ( -2.341 6.312 -14.288) 15.795 9.741 ( -12.757 8.301 9.499) 17.941 10.337 ( -6.315 19.982 9.334) 22.940 11.990 ( 2.780 -6.882 6.520) 9.879 12.710 ( 11.067 0.459 -3.391) 11.584 13.020 ( -4.421 5.094 2.831) 7.315 13.820 ( -6.036 -3.097 4.389) 8.080 14.353 ( 2.213 1.281 -5.535) 6.097 14.717 ( -18.100 -2.862 2.527) 18.498 15.558 ( 5.528 2.191 -5.269) 7.945 16.350 ( 21.283 8.255 -28.403) 36.440 17.434 ( 3.728 -1.849 13.087) 13.733 18.713 ( -22.940 -11.934 -1.162) 25.885 19.297 ( -21.199 13.527 -5.700) 25.785 19.745 ( 10.326 -3.781 -4.300) 11.807 22.996 ( 10.050 -19.907 13.266) 25.947 23.640 ( 0.687 9.799 10.352) 14.271 23.985 ( -3.688 -2.443 -1.434) 4.650 ======================= Grid point 15 (11/260) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 21.800 -10.335 -3.591) 24.392 2.474 ( 18.966 3.288 8.674) 21.113 3.114 ( -11.071 -5.776 6.025) 13.865 3.375 ( -2.532 -3.756 -1.940) 4.928 4.000 ( 22.049 -0.177 2.765) 22.222 4.517 ( -0.900 5.792 6.757) 8.945 4.596 ( 8.015 -0.349 -0.954) 8.079 4.940 ( 7.964 -2.906 -7.757) 11.491 5.404 ( -8.180 -1.696 8.051) 11.602 5.549 ( 5.868 7.106 -6.562) 11.313 5.579 ( -7.393 0.619 7.831) 10.787 5.815 ( -0.286 5.047 -7.970) 9.438 7.080 ( -13.801 -4.469 1.190) 14.555 7.242 ( -10.693 -9.190 4.082) 14.678 7.327 ( -3.677 5.125 -9.592) 11.480 7.778 ( -6.013 10.886 2.664) 12.718 8.486 ( 7.258 -11.564 -0.389) 13.658 9.075 ( 8.313 3.039 4.957) 10.145 9.488 ( -9.215 4.772 -7.416) 12.754 9.551 ( -3.512 4.365 -3.959) 6.860 10.224 ( -4.509 26.298 7.543) 27.728 12.023 ( 0.367 -9.269 3.723) 9.996 12.805 ( -0.699 16.668 3.240) 16.994 13.076 ( 7.786 -11.342 -5.963) 14.994 13.719 ( -3.315 -2.363 2.514) 4.784 14.296 ( -9.527 -1.304 5.018) 10.847 14.481 ( -2.221 -2.692 -5.244) 6.299 15.649 ( 3.143 2.427 -2.555) 4.721 16.736 ( 16.018 8.278 -16.492) 24.436 17.603 ( 9.860 -4.741 16.872) 20.109 18.267 ( -17.228 -11.467 -8.787) 22.484 18.869 ( -19.252 17.042 -1.586) 25.760 19.909 ( 5.475 -4.590 -2.560) 7.590 23.148 ( 4.528 -14.453 7.054) 16.708 23.666 ( 1.097 10.258 5.415) 11.651 23.916 ( -2.670 -5.621 -1.456) 6.391 ======================= Grid point 16 (12/260) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -0.000 -9.119 0.000) 9.119 2.776 ( -0.000 2.068 0.000) 2.068 2.867 ( 0.000 -6.720 -0.000) 6.720 3.334 ( 0.000 -5.697 -0.000) 5.697 4.226 ( 0.000 -8.295 0.000) 8.295 4.516 ( 0.000 5.683 -0.000) 5.683 4.700 ( 0.000 8.724 0.000) 8.724 5.174 ( -0.000 -9.243 0.000) 9.243 5.176 ( 0.000 -2.751 -0.000) 2.751 5.433 ( 0.000 5.522 0.000) 5.522 5.669 ( 0.000 3.583 -0.000) 3.583 5.818 ( 0.000 7.714 -0.000) 7.714 6.913 ( 0.000 -1.394 -0.000) 1.394 7.129 ( 0.000 -10.808 -0.000) 10.808 7.283 ( 0.000 8.776 -0.000) 8.776 7.714 ( 0.000 9.696 -0.000) 9.696 8.563 ( 0.000 -9.522 0.000) 9.522 9.246 ( 0.000 10.101 -0.000) 10.101 9.307 ( 0.000 -12.075 -0.000) 12.075 9.518 ( 0.000 8.427 0.000) 8.427 10.176 ( 0.000 29.368 -0.000) 29.368 12.024 ( 0.000 -10.528 -0.000) 10.528 12.792 ( 0.000 19.352 0.000) 19.352 13.174 ( 0.000 -14.275 -0.000) 14.275 13.690 ( 0.000 -1.544 -0.000) 1.544 14.163 ( 0.000 -3.781 0.000) 3.781 14.475 ( 0.000 -0.516 -0.000) 0.516 15.681 ( 0.000 2.803 -0.000) 2.803 16.923 ( 0.000 7.361 0.000) 7.361 17.713 ( 0.000 -17.744 -0.000) 17.744 18.109 ( 0.000 2.335 -0.000) 2.335 18.615 ( 0.000 17.066 -0.000) 17.066 19.965 ( 0.000 -4.865 0.000) 4.865 23.196 ( 0.000 -12.451 0.000) 12.451 23.680 ( 0.000 10.605 -0.000) 10.605 23.886 ( 0.000 -7.278 0.000) 7.278 ======================= Grid point 22 (13/260) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 26.376 0.000) 26.376 1.189 ( 0.000 28.963 0.000) 28.963 2.063 ( 0.000 49.809 0.000) 49.809 3.075 ( 0.000 -6.385 0.000) 6.385 3.615 ( 0.000 -15.217 0.000) 15.217 3.727 ( 0.000 20.432 0.000) 20.432 4.610 ( 0.000 -5.064 0.000) 5.064 5.129 ( 0.000 14.923 0.000) 14.923 5.338 ( 0.000 -12.569 0.000) 12.569 5.397 ( 0.000 5.933 0.000) 5.933 5.748 ( 0.000 12.800 0.000) 12.800 6.102 ( 0.000 -16.217 0.000) 16.217 6.610 ( 0.000 6.984 0.000) 6.984 7.558 ( 0.000 -8.845 0.000) 8.845 8.022 ( 0.000 4.612 0.000) 4.612 8.333 ( 0.000 -0.528 0.000) 0.528 8.572 ( 0.000 -1.967 0.000) 1.967 9.007 ( 0.000 -11.578 0.000) 11.578 10.297 ( 0.000 4.485 0.000) 4.485 10.347 ( 0.000 19.706 0.000) 19.706 10.805 ( 0.000 7.539 0.000) 7.539 11.751 ( 0.000 -3.527 0.000) 3.527 11.937 ( 0.000 -10.892 0.000) 10.892 13.858 ( 0.000 -11.974 0.000) 11.974 14.103 ( 0.000 4.623 0.000) 4.623 14.111 ( 0.000 -7.234 0.000) 7.234 14.717 ( 0.000 0.972 0.000) 0.972 15.354 ( 0.000 2.755 0.000) 2.755 17.029 ( 0.000 -7.647 0.000) 7.647 18.379 ( 0.000 -2.315 0.000) 2.315 19.228 ( 0.000 7.162 0.000) 7.162 19.612 ( 0.000 5.370 0.000) 5.370 20.216 ( 0.000 -3.530 0.000) 3.530 20.286 ( 0.000 -1.855 0.000) 1.855 23.853 ( 0.000 -2.023 0.000) 2.023 24.168 ( 0.000 1.855 0.000) 1.855 ======================= Grid point 23 (14/260) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -1.213 27.849 7.354) 28.829 1.284 ( 13.915 23.358 14.150) 30.650 2.373 ( 24.884 37.530 -7.351) 45.626 3.107 ( 2.730 -6.122 4.222) 7.922 3.671 ( 3.089 -8.140 -4.556) 9.826 3.712 ( 1.058 12.453 1.629) 12.603 4.692 ( 4.917 -2.174 3.130) 6.221 5.139 ( -5.820 -2.394 -10.042) 11.851 5.294 ( 2.516 3.458 12.787) 13.484 5.458 ( 5.056 4.802 -7.296) 10.092 5.801 ( 3.426 8.534 4.598) 10.281 6.068 ( -3.102 -14.736 2.277) 15.230 6.698 ( 8.523 -0.889 -4.753) 9.799 7.601 ( 3.675 -7.013 2.782) 8.392 7.918 ( -9.333 -0.075 6.973) 11.650 8.232 ( -10.473 -2.417 -2.914) 11.136 8.514 ( -3.693 3.682 0.500) 5.239 9.022 ( 0.394 -8.154 1.577) 8.314 10.096 ( -10.492 16.814 -31.635) 37.330 10.366 ( -5.220 8.064 27.474) 29.105 10.798 ( -0.832 9.572 4.410) 10.572 11.775 ( 2.456 -1.949 3.214) 4.490 12.048 ( 10.013 -10.322 -6.476) 15.771 13.727 ( -16.838 3.031 20.497) 26.699 13.917 ( -3.684 -5.900 -0.477) 6.972 14.135 ( 2.721 -6.494 -2.398) 7.438 15.118 ( 24.154 2.854 -17.249) 29.818 15.424 ( 9.563 1.307 -5.034) 10.886 16.485 ( -45.237 7.702 -22.110) 50.937 17.856 ( -25.575 8.770 -8.784) 28.428 19.143 ( 2.695 0.170 3.970) 4.802 19.508 ( -9.671 2.090 -1.960) 10.087 20.113 ( -8.874 0.328 -2.107) 9.127 21.268 ( 54.252 -23.418 26.194) 64.636 23.813 ( -3.117 0.446 7.295) 7.946 24.141 ( -2.640 1.458 0.021) 3.016 ======================= Grid point 24 (15/260) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 14.227 14.635 4.141) 20.826 1.673 ( 21.140 14.060 18.231) 31.256 2.912 ( 23.905 16.597 -6.223) 29.760 3.181 ( 4.702 -3.871 5.375) 8.123 3.633 ( -2.987 11.042 1.752) 11.572 3.888 ( 12.767 -7.782 -4.513) 15.618 4.748 ( -1.017 2.840 10.300) 10.732 4.947 ( -7.562 -5.128 -11.797) 14.921 5.402 ( 5.652 4.315 2.809) 7.646 5.548 ( 2.710 4.446 -10.549) 11.764 5.830 ( -1.688 7.628 13.266) 15.395 5.993 ( -3.671 -8.261 1.455) 9.156 6.920 ( 11.396 -12.307 -7.588) 18.410 7.632 ( -7.897 -1.043 -8.208) 11.437 7.731 ( -3.366 -8.050 18.539) 20.490 7.941 ( -14.162 -5.596 -4.709) 15.939 8.442 ( -3.965 11.407 7.739) 14.343 9.011 ( -0.904 -2.386 -0.401) 2.583 9.907 ( -6.313 16.517 -25.878) 31.342 10.173 ( -12.984 7.077 14.513) 20.720 10.777 ( -1.372 14.077 7.030) 15.795 11.847 ( 3.769 -0.771 4.742) 6.107 12.298 ( 13.500 -9.758 -8.391) 18.652 13.393 ( -14.373 6.843 15.739) 22.386 13.862 ( -3.196 -5.257 1.476) 6.327 14.223 ( 5.460 -5.644 -3.892) 8.765 15.248 ( -15.111 7.438 -0.659) 16.856 15.614 ( -13.239 9.447 -2.671) 16.482 15.978 ( 26.906 4.311 -37.069) 46.007 17.499 ( -11.331 2.279 5.341) 12.733 19.021 ( -19.921 -4.619 -3.781) 20.796 19.428 ( 6.045 -6.354 -5.927) 10.585 19.885 ( -12.391 8.762 2.242) 15.341 22.138 ( 29.969 -24.821 20.610) 44.034 23.771 ( -0.699 3.778 8.551) 9.374 24.058 ( -5.294 -0.161 -0.760) 5.351 ======================= Grid point 25 (16/260) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 21.464 0.437 -0.820) 21.484 2.124 ( 20.796 6.967 17.103) 27.812 3.107 ( -2.356 -8.343 3.768) 9.452 3.383 ( 5.397 2.972 -7.698) 9.860 3.644 ( 8.970 2.769 10.897) 14.383 4.208 ( 17.798 -2.052 -8.765) 19.945 4.643 ( -6.113 -1.373 8.469) 10.535 4.913 ( 2.550 4.193 -8.762) 10.043 5.474 ( -2.323 -2.621 -2.907) 4.551 5.573 ( 2.906 3.258 -5.162) 6.761 5.766 ( -3.759 9.386 13.851) 17.148 5.937 ( -1.425 2.787 -1.392) 3.426 7.072 ( 1.050 -10.874 -3.419) 11.447 7.417 ( -6.529 -4.087 -5.486) 9.457 7.485 ( -18.169 -3.586 0.477) 18.526 7.898 ( 4.187 -5.625 3.572) 7.870 8.351 ( -4.407 10.231 9.584) 14.696 9.017 ( 2.011 0.882 1.377) 2.592 9.799 ( -3.812 13.016 -16.534) 21.385 9.890 ( -13.675 8.607 1.515) 16.229 10.750 ( -1.504 18.842 7.329) 20.273 11.909 ( 1.525 -0.203 4.867) 5.104 12.565 ( 11.977 -12.541 -9.043) 19.558 13.174 ( -6.919 7.006 10.208) 14.184 13.782 ( -4.332 -1.194 1.682) 4.798 14.333 ( 4.810 -4.359 -4.069) 7.661 14.718 ( -25.506 5.309 -0.075) 26.053 15.604 ( 4.584 2.050 -1.159) 5.154 16.564 ( 25.253 13.474 -26.104) 38.738 17.384 ( 0.950 -3.189 11.958) 12.413 18.511 ( -25.632 -8.940 -7.465) 28.154 19.487 ( -8.282 2.243 -11.696) 14.505 19.697 ( 0.245 2.682 9.599) 9.970 22.606 ( 16.223 -19.711 14.217) 29.220 23.792 ( 2.004 6.219 6.789) 9.422 23.926 ( -7.209 -3.501 -2.162) 8.301 ======================= Grid point 26 (17/260) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 19.281 -7.926 -3.358) 21.116 2.511 ( 14.970 0.609 12.062) 19.235 2.967 ( -10.088 -8.907 4.207) 14.099 3.328 ( -5.434 -0.054 -3.801) 6.632 3.913 ( 11.188 -9.508 7.146) 16.330 4.494 ( 3.986 -8.603 -14.173) 17.053 4.654 ( 11.522 6.308 10.667) 16.922 4.983 ( 4.084 6.494 -6.310) 9.934 5.321 ( -10.212 -5.630 -1.314) 11.735 5.601 ( -1.927 4.455 7.497) 8.931 5.751 ( 1.927 9.844 -0.624) 10.050 5.939 ( 1.667 7.463 -2.439) 8.027 6.966 ( -6.948 -5.951 0.458) 9.160 7.134 ( -14.511 -3.238 2.193) 15.029 7.419 ( 4.155 3.305 -8.483) 10.007 7.911 ( -3.862 2.800 3.605) 5.979 8.330 ( 2.362 -3.770 3.944) 5.945 9.095 ( 4.910 0.718 5.242) 7.218 9.602 ( -11.957 6.800 -0.749) 13.776 9.758 ( -1.356 14.922 -12.173) 19.305 10.725 ( -1.058 22.450 4.820) 22.986 11.910 ( -1.179 -0.481 3.317) 3.553 12.758 ( 6.617 -18.468 -6.664) 20.719 13.122 ( 0.773 11.260 4.712) 12.231 13.698 ( -3.420 0.330 0.943) 3.563 14.289 ( -14.988 2.924 2.112) 15.416 14.411 ( 2.264 -4.834 -2.687) 5.976 15.698 ( 3.755 2.170 0.443) 4.360 16.922 ( 12.010 9.404 -13.567) 20.414 17.490 ( 0.816 -5.716 9.197) 10.860 18.120 ( -5.547 -3.843 -7.937) 10.418 19.175 ( -17.050 14.395 -1.417) 22.358 19.785 ( 4.085 -8.005 1.276) 9.077 22.865 ( 8.703 -14.531 7.959) 18.715 23.776 ( -6.330 -8.141 -0.439) 10.322 23.842 ( 2.014 7.842 1.743) 8.282 ======================= Grid point 27 (18/260) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.000 -11.613 0.000) 11.613 2.685 ( 0.000 -12.044 0.000) 12.044 2.814 ( 0.000 2.317 0.000) 2.317 3.252 ( 0.000 -1.402 -0.000) 1.402 4.036 ( 0.000 -11.663 0.000) 11.663 4.508 ( 0.000 -9.286 -0.000) 9.286 4.852 ( -0.000 6.181 0.000) 6.181 5.062 ( -0.000 -0.045 0.000) 0.045 5.139 ( 0.000 -0.189 0.000) 0.189 5.569 ( 0.000 7.931 -0.000) 7.931 5.774 ( 0.000 7.064 -0.000) 7.064 5.971 ( 0.000 7.446 0.000) 7.446 6.897 ( -0.000 -0.257 0.000) 0.257 6.956 ( 0.000 -6.680 -0.000) 6.680 7.481 ( 0.000 11.203 -0.000) 11.203 7.840 ( 0.000 2.969 -0.000) 2.969 8.374 ( 0.000 -9.705 0.000) 9.705 9.175 ( 0.000 -2.119 0.000) 2.119 9.445 ( 0.000 9.617 -0.000) 9.617 9.743 ( 0.000 14.724 0.000) 14.724 10.714 ( 0.000 23.842 -0.000) 23.842 11.893 ( 0.000 -0.980 -0.000) 0.980 12.826 ( 0.000 -20.881 -0.000) 20.881 13.145 ( 0.000 14.089 0.000) 14.089 13.661 ( 0.000 -0.831 0.000) 0.831 14.123 ( 0.000 2.182 0.000) 2.182 14.435 ( 0.000 -4.047 -0.000) 4.047 15.739 ( 0.000 2.751 -0.000) 2.751 17.094 ( 0.000 9.401 0.000) 9.401 17.373 ( 0.000 -16.903 -0.000) 16.903 18.190 ( 0.000 6.533 -0.000) 6.533 18.939 ( 0.000 15.934 -0.000) 15.934 19.829 ( 0.000 -9.211 0.000) 9.211 22.962 ( 0.000 -11.550 0.000) 11.550 23.700 ( 0.000 -11.360 -0.000) 11.360 23.866 ( 0.000 8.676 0.000) 8.676 ======================= Grid point 33 (19/260) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 22.681 0.000) 22.681 1.700 ( 0.000 23.738 0.000) 23.738 2.920 ( 0.000 -9.573 0.000) 9.573 2.939 ( 0.000 40.867 0.000) 40.867 3.333 ( 0.000 -14.084 0.000) 14.084 4.173 ( 0.000 25.739 0.000) 25.739 4.532 ( 0.000 -2.871 0.000) 2.871 5.053 ( 0.000 -16.756 0.000) 16.756 5.292 ( 0.000 2.991 0.000) 2.991 5.620 ( 0.000 15.745 0.000) 15.745 5.724 ( 0.000 -22.969 0.000) 22.969 5.961 ( 0.000 8.510 0.000) 8.510 6.730 ( 0.000 4.983 0.000) 4.983 7.378 ( 0.000 -9.263 0.000) 9.263 8.115 ( 0.000 4.992 0.000) 4.992 8.334 ( 0.000 0.839 0.000) 0.839 8.526 ( 0.000 -2.827 0.000) 2.827 8.780 ( 0.000 -11.407 0.000) 11.407 10.436 ( 0.000 9.326 0.000) 9.326 10.770 ( 0.000 23.424 0.000) 23.424 10.898 ( 0.000 1.834 0.000) 1.834 11.679 ( 0.000 -3.644 0.000) 3.644 11.727 ( 0.000 -10.740 0.000) 10.740 13.555 ( 0.000 -17.772 0.000) 17.772 13.978 ( 0.000 -6.153 0.000) 6.153 14.195 ( 0.000 4.632 0.000) 4.632 14.767 ( 0.000 3.359 0.000) 3.359 15.405 ( 0.000 2.358 0.000) 2.358 16.884 ( 0.000 -6.864 0.000) 6.864 18.342 ( 0.000 -1.481 0.000) 1.481 19.355 ( 0.000 5.723 0.000) 5.723 19.713 ( 0.000 4.803 0.000) 4.803 20.147 ( 0.000 -3.392 0.000) 3.392 20.248 ( 0.000 -1.965 0.000) 1.965 23.820 ( 0.000 -1.353 0.000) 1.353 24.198 ( 0.000 1.207 0.000) 1.207 ======================= Grid point 34 (20/260) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.083 22.906 3.015) 23.103 1.743 ( 6.385 23.489 9.128) 25.996 2.913 ( 1.735 -0.655 1.723) 2.531 3.051 ( 7.171 15.518 5.396) 17.926 3.434 ( 9.195 -6.670 -13.868) 17.926 4.134 ( -2.868 24.860 0.860) 25.040 4.639 ( 8.254 -2.283 4.297) 9.582 4.939 ( -9.119 -15.306 -8.145) 19.590 5.344 ( 4.387 1.909 -0.156) 4.787 5.594 ( -2.730 -4.196 -5.516) 7.449 5.789 ( 6.071 -3.533 5.121) 8.693 5.978 ( 1.110 7.769 6.145) 9.968 6.735 ( 0.914 2.957 -2.298) 3.855 7.458 ( 6.994 -7.337 5.066) 11.331 7.911 ( -15.661 -0.715 9.756) 18.465 8.183 ( -13.737 -2.195 -7.867) 15.981 8.590 ( 4.416 3.993 1.623) 6.171 8.861 ( 5.221 -7.918 2.096) 9.713 10.351 ( -7.518 9.836 -1.935) 12.531 10.641 ( -10.833 19.479 -7.949) 23.663 10.906 ( 0.911 1.926 3.023) 3.698 11.703 ( 4.317 -7.999 -6.563) 11.211 11.898 ( 12.278 -2.668 4.084) 13.211 13.568 ( 0.040 -14.506 2.202) 14.673 13.923 ( -15.707 3.372 11.992) 20.047 14.011 ( 2.587 -5.864 0.898) 6.472 15.192 ( 27.363 4.086 -17.990) 33.001 15.459 ( 8.886 2.048 -2.358) 9.419 16.534 ( -31.948 -0.637 -7.234) 32.763 17.984 ( -25.192 4.626 -12.484) 28.493 19.169 ( -3.848 2.197 8.068) 9.205 19.523 ( -16.874 -0.423 -10.364) 19.807 20.132 ( -2.031 1.532 5.237) 5.823 20.961 ( 44.494 -10.426 17.358) 48.885 23.808 ( -0.777 -0.533 4.470) 4.569 24.163 ( -3.387 0.888 -0.377) 3.522 ======================= Grid point 35 (21/260) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 3.278 21.948 4.856) 22.716 1.971 ( 13.670 16.364 12.323) 24.627 2.956 ( 0.951 -7.813 3.494) 8.611 3.220 ( 9.052 0.358 6.640) 11.232 3.604 ( 4.374 -0.709 -15.793) 16.403 4.127 ( 4.421 21.456 -1.376) 21.950 4.675 ( -8.389 -10.471 5.701) 14.578 4.866 ( 6.792 -0.778 -9.813) 11.960 5.440 ( 2.145 -1.749 -2.629) 3.817 5.527 ( -0.770 -7.580 -1.784) 7.825 5.935 ( 6.402 3.765 2.455) 7.822 5.990 ( -0.561 8.080 9.396) 12.405 6.792 ( 5.363 -2.303 -5.007) 7.690 7.568 ( -16.517 -5.601 13.818) 22.251 7.630 ( 7.304 -2.381 1.808) 7.893 7.842 ( -16.879 -4.415 -7.421) 18.960 8.631 ( -1.507 7.899 7.512) 11.004 8.954 ( 3.846 -2.660 0.939) 4.770 10.165 ( -9.704 8.051 -2.344) 12.825 10.381 ( -12.508 15.932 -14.312) 24.802 10.938 ( 1.706 3.298 5.489) 6.627 11.823 ( 6.821 -4.978 -5.474) 10.063 12.162 ( 11.918 -1.490 0.155) 12.012 13.455 ( -11.101 0.370 9.496) 14.613 13.745 ( -1.798 -6.042 4.676) 7.849 14.093 ( 4.924 -7.238 -0.866) 8.797 15.376 ( -4.601 5.665 0.948) 7.360 15.775 ( -27.759 6.380 -2.785) 28.618 16.085 ( 37.626 6.088 -28.520) 47.604 17.544 ( -16.668 2.375 1.211) 16.879 18.955 ( -25.217 -2.295 -10.721) 27.498 19.297 ( 2.749 -6.589 -1.015) 7.211 20.038 ( -7.461 6.736 7.330) 12.440 21.761 ( 30.992 -14.621 16.830) 38.178 23.817 ( 1.763 1.349 5.651) 6.071 24.053 ( -7.334 -0.343 -1.157) 7.433 ======================= Grid point 36 (22/260) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 9.605 12.382 2.667) 15.896 2.267 ( 13.262 6.945 12.397) 19.437 2.923 ( -4.085 -9.435 4.251) 11.125 3.433 ( 10.727 -5.929 4.089) 12.920 3.557 ( -6.139 0.400 -3.035) 6.860 4.263 ( 3.880 -1.899 -15.151) 15.755 4.594 ( 4.283 3.441 6.841) 8.774 5.008 ( 6.329 4.516 -4.596) 9.032 5.357 ( -6.330 -9.450 -2.052) 11.558 5.620 ( 5.578 3.106 -0.442) 6.400 5.954 ( -2.266 7.584 5.875) 9.858 6.036 ( 2.822 6.966 2.271) 7.851 6.931 ( 5.427 -3.659 -4.279) 7.820 7.289 ( -7.921 -7.782 7.564) 13.436 7.432 ( -16.873 -2.555 -5.787) 18.020 7.834 ( 7.342 -1.463 2.416) 7.867 8.524 ( -8.920 6.867 7.748) 13.666 9.036 ( 4.198 1.477 3.865) 5.895 9.947 ( -11.557 3.933 0.864) 12.238 10.165 ( -6.788 17.229 -18.789) 26.381 10.970 ( 1.038 4.617 5.511) 7.264 11.958 ( 5.926 0.930 -3.312) 6.852 12.349 ( 5.611 -5.667 -3.013) 8.525 13.258 ( -6.430 2.665 8.232) 10.780 13.731 ( -0.984 -4.300 2.767) 5.208 14.196 ( 4.688 -8.840 -1.225) 10.081 14.929 ( -26.757 14.555 -1.508) 30.497 15.620 ( 3.690 -0.679 2.773) 4.665 16.834 ( 28.115 13.906 -24.419) 39.751 17.320 ( -1.518 -3.427 7.180) 8.100 18.372 ( -26.736 -5.640 -11.478) 29.637 19.399 ( 4.701 -7.255 -4.149) 9.589 19.836 ( -12.004 7.973 10.349) 17.742 22.278 ( 19.555 -13.856 12.673) 27.110 23.861 ( -10.836 -2.891 -1.465) 11.310 23.884 ( 4.066 3.410 3.452) 6.331 ======================= Grid point 37 (23/260) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 9.819 -0.923 -0.610) 9.881 2.456 ( 2.527 -7.948 8.302) 11.768 2.853 ( -0.438 -0.280 4.743) 4.771 3.393 ( -6.977 6.627 -3.779) 10.338 3.670 ( 9.560 -14.131 7.717) 18.725 4.248 ( -2.204 -16.030 -12.248) 20.293 4.793 ( 10.488 7.760 5.778) 14.269 5.115 ( 3.938 5.910 -4.509) 8.413 5.224 ( -6.010 -4.326 -1.865) 7.637 5.695 ( 1.456 4.603 3.025) 5.697 5.923 ( -0.609 7.783 -0.163) 7.809 6.072 ( 0.993 5.769 1.031) 5.944 6.897 ( -4.574 -0.939 1.238) 4.830 7.081 ( -13.114 -2.691 0.539) 13.398 7.427 ( 14.133 -2.197 -5.053) 15.169 7.939 ( 0.907 1.416 2.253) 2.811 8.307 ( -10.424 -0.026 4.346) 11.294 9.130 ( 4.420 2.714 5.995) 7.928 9.712 ( -10.067 4.279 -2.066) 11.132 10.076 ( -1.860 17.056 -11.221) 20.501 10.984 ( 0.206 4.879 3.341) 5.917 12.042 ( 2.002 11.462 -0.180) 11.637 12.405 ( 1.193 -15.105 -4.020) 15.676 13.208 ( 0.266 -1.949 4.056) 4.508 13.701 ( -1.649 0.220 1.853) 2.490 14.273 ( 2.644 -8.242 -0.923) 8.705 14.489 ( -14.927 15.261 0.222) 21.349 15.720 ( 4.632 0.072 3.497) 5.805 17.020 ( 1.469 0.085 -2.450) 2.858 17.446 ( -5.441 1.547 -9.255) 10.847 18.113 ( 10.543 2.843 -6.506) 12.711 19.387 ( -8.957 5.884 -4.568) 11.649 19.635 ( -3.996 -5.526 9.824) 11.959 22.615 ( 12.743 -10.996 7.743) 18.527 23.624 ( -10.946 -7.024 -2.619) 13.267 23.968 ( 3.310 5.100 1.951) 6.386 ======================= Grid point 38 (24/260) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -0.000 -10.171 0.000) 10.171 2.439 ( 0.000 -12.344 0.000) 12.344 2.884 ( 0.000 5.220 0.000) 5.220 3.306 ( 0.000 7.023 -0.000) 7.023 3.787 ( 0.000 -13.807 0.000) 13.807 4.213 ( -0.000 -18.875 -0.000) 18.875 4.928 ( -0.000 2.322 -0.000) 2.322 5.126 ( 0.000 4.574 0.000) 4.574 5.172 ( 0.000 2.773 -0.000) 2.773 5.705 ( 0.000 5.701 -0.000) 5.701 5.919 ( 0.000 7.364 -0.000) 7.364 6.083 ( 0.000 4.139 -0.000) 4.139 6.878 ( -0.000 -1.723 0.000) 1.723 6.899 ( 0.000 0.340 -0.000) 0.340 7.690 ( -0.000 10.284 -0.000) 10.284 7.842 ( 0.000 -1.886 -0.000) 1.886 8.201 ( 0.000 -8.237 0.000) 8.237 9.190 ( 0.000 2.533 0.000) 2.533 9.590 ( 0.000 5.373 -0.000) 5.373 10.057 ( 0.000 16.951 0.000) 16.951 10.986 ( 0.000 4.723 -0.000) 4.723 12.056 ( 0.000 17.262 -0.000) 17.262 12.419 ( 0.000 -20.424 -0.000) 20.424 13.220 ( 0.000 -5.941 0.000) 5.941 13.682 ( 0.000 3.269 0.000) 3.269 14.315 ( -0.000 16.071 0.000) 16.071 14.317 ( 0.000 -7.980 -0.000) 7.980 15.775 ( 0.000 0.963 -0.000) 0.963 17.087 ( 0.000 -12.576 -0.000) 12.576 17.248 ( -0.000 6.104 0.000) 6.104 18.364 ( 0.000 11.185 -0.000) 11.185 19.204 ( 0.000 11.313 -0.000) 11.313 19.623 ( 0.000 -11.832 0.000) 11.832 22.768 ( 0.000 -8.348 0.000) 8.348 23.485 ( 0.000 -10.188 -0.000) 10.188 24.005 ( 0.000 5.700 0.000) 5.700 ======================= Grid point 44 (25/260) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 11.806 0.000) 11.806 2.050 ( 0.000 10.919 0.000) 10.919 2.744 ( 0.000 -6.802 0.000) 6.802 3.107 ( 0.000 -7.857 0.000) 7.857 3.562 ( 0.000 20.834 0.000) 20.834 4.498 ( 0.000 -0.785 0.000) 0.785 4.691 ( 0.000 25.268 0.000) 25.268 4.749 ( 0.000 -9.378 0.000) 9.378 5.237 ( 0.000 -27.434 0.000) 27.434 5.316 ( 0.000 0.317 0.000) 0.317 5.901 ( 0.000 12.053 0.000) 12.053 6.037 ( 0.000 -1.381 0.000) 1.381 6.789 ( 0.000 1.304 0.000) 1.304 7.240 ( 0.000 -4.199 0.000) 4.199 8.201 ( 0.000 3.284 0.000) 3.284 8.367 ( 0.000 2.228 0.000) 2.228 8.467 ( 0.000 -2.863 0.000) 2.863 8.604 ( 0.000 -5.884 0.000) 5.884 10.612 ( 0.000 7.237 0.000) 7.237 10.880 ( 0.000 -2.755 0.000) 2.755 11.188 ( 0.000 18.380 0.000) 18.380 11.520 ( 0.000 -11.178 0.000) 11.178 11.627 ( 0.000 -1.510 0.000) 1.510 13.270 ( 0.000 -9.320 0.000) 9.320 13.892 ( 0.000 -2.464 0.000) 2.464 14.263 ( 0.000 1.997 0.000) 1.997 14.818 ( 0.000 1.560 0.000) 1.560 15.437 ( 0.000 0.917 0.000) 0.917 16.788 ( 0.000 -2.783 0.000) 2.783 18.323 ( 0.000 -0.501 0.000) 0.501 19.434 ( 0.000 2.226 0.000) 2.226 19.781 ( 0.000 2.000 0.000) 2.000 20.098 ( 0.000 -1.463 0.000) 1.463 20.219 ( 0.000 -0.933 0.000) 0.933 23.803 ( 0.000 -0.461 0.000) 0.461 24.213 ( 0.000 0.403 0.000) 0.403 ======================= Grid point 45 (26/260) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.694 11.026 0.528) 11.061 2.113 ( 5.579 12.474 4.817) 14.489 2.771 ( 2.047 -6.402 3.578) 7.614 3.066 ( -2.479 -7.073 13.600) 15.529 3.645 ( 6.633 15.033 -21.497) 27.058 4.520 ( -2.822 3.369 7.894) 9.035 4.663 ( -3.956 -6.750 -10.364) 12.985 4.721 ( 4.165 18.475 -1.827) 19.027 5.207 ( -2.288 -25.408 -1.151) 25.537 5.369 ( 5.023 0.151 -1.589) 5.271 5.950 ( 3.934 9.422 3.864) 10.917 6.058 ( 1.718 -0.259 5.354) 5.629 6.776 ( -0.845 1.035 -2.702) 3.014 7.349 ( 9.516 -3.281 6.009) 11.723 7.897 ( -20.006 -0.492 12.316) 23.498 8.156 ( -15.791 -0.698 -10.137) 18.778 8.660 ( 8.725 3.407 2.315) 9.649 8.736 ( 8.959 -4.991 1.705) 10.397 10.495 ( -10.086 4.673 5.182) 12.265 10.899 ( 1.980 -1.356 4.201) 4.839 11.007 ( -15.673 15.710 -19.654) 29.644 11.490 ( 6.508 -11.404 -11.859) 17.693 11.918 ( 15.872 2.088 10.981) 19.414 13.328 ( 5.042 -8.008 -0.431) 9.473 13.918 ( 1.913 -2.333 0.050) 3.018 13.984 ( -17.292 1.461 13.859) 22.209 15.251 ( 27.552 1.745 -17.475) 32.673 15.490 ( 9.914 0.986 -1.403) 10.061 16.511 ( -25.732 -1.020 -1.331) 25.787 18.039 ( -22.569 1.330 -13.321) 26.241 19.208 ( -7.215 1.329 11.176) 13.369 19.507 ( -22.012 -0.784 -16.447) 27.489 20.159 ( 1.908 0.938 9.692) 9.922 20.835 ( 39.697 -3.154 12.577) 41.761 23.800 ( 0.087 -0.252 3.581) 3.591 24.174 ( -3.835 0.282 -0.636) 3.898 ======================= Grid point 46 (27/260) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 2.459 12.143 2.230) 12.588 2.247 ( 5.769 9.922 7.435) 13.675 2.807 ( 0.889 -5.235 5.295) 7.499 3.070 ( 2.780 -9.436 14.180) 17.258 3.746 ( 3.039 9.222 -24.519) 26.371 4.307 ( -13.335 -6.442 0.177) 14.810 4.681 ( 4.366 15.420 -4.277) 16.587 4.879 ( 9.137 2.779 -1.565) 9.678 5.165 ( -1.333 -19.518 -0.213) 19.564 5.511 ( 8.303 0.865 -2.767) 8.795 6.028 ( 2.499 3.627 4.178) 6.071 6.103 ( 2.327 3.116 7.389) 8.350 6.783 ( 2.794 0.314 -5.458) 6.140 7.480 ( -17.186 -2.725 19.265) 25.960 7.597 ( 10.029 -1.063 0.260) 10.088 7.783 ( -18.939 -1.546 -9.007) 21.029 8.729 ( -1.577 2.293 7.965) 8.437 8.925 ( 8.104 -0.403 0.662) 8.141 10.254 ( -12.664 2.175 3.373) 13.285 10.672 ( -14.073 10.611 -21.534) 27.828 10.954 ( 2.608 -0.252 5.246) 5.864 11.666 ( 9.647 -7.428 -13.480) 18.164 12.215 ( 11.920 3.448 6.758) 14.130 13.428 ( 1.681 -2.072 1.593) 3.108 13.674 ( -10.185 -1.235 10.968) 15.018 13.980 ( 3.076 -3.670 0.293) 4.798 15.454 ( 3.022 2.206 3.184) 4.913 15.848 ( -33.434 1.648 -2.392) 33.560 16.179 ( 44.158 2.933 -23.995) 50.342 17.581 ( -19.778 1.131 -2.680) 19.991 18.928 ( -30.090 -0.654 -17.324) 34.727 19.202 ( 2.338 -2.805 6.380) 7.351 20.129 ( -5.427 2.488 9.265) 11.022 21.576 ( 30.057 -4.777 13.749) 33.396 23.832 ( 3.140 0.345 4.600) 5.580 24.047 ( -8.540 -0.177 -1.526) 8.677 ======================= Grid point 47 (28/260) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 2.997 14.518 3.150) 15.155 2.295 ( -2.101 -5.795 6.365) 8.861 2.839 ( 3.202 1.965 6.082) 7.149 3.194 ( 8.098 -11.573 12.834) 19.085 3.728 ( -3.678 11.393 -16.371) 20.282 4.067 ( -8.873 -12.950 -6.100) 16.841 4.809 ( 7.090 14.340 1.414) 16.060 5.034 ( 5.348 -5.045 -2.412) 7.737 5.168 ( 1.936 -6.560 -1.699) 7.047 5.673 ( 6.487 1.693 -2.465) 7.143 6.045 ( -0.571 2.268 3.262) 4.014 6.147 ( 1.060 3.355 4.843) 5.986 6.921 ( 10.000 1.400 -5.879) 11.684 7.157 ( -11.878 -4.949 11.951) 17.562 7.392 ( -16.765 -1.249 -5.522) 17.695 7.822 ( 9.301 -0.202 1.824) 9.480 8.607 ( -10.562 1.984 6.347) 12.481 9.067 ( 5.729 1.210 5.272) 7.879 9.993 ( -12.292 1.112 -0.373) 12.348 10.441 ( -7.248 9.123 -18.125) 21.547 10.996 ( 1.048 -0.163 5.104) 5.213 11.856 ( 9.156 -6.501 -12.997) 17.176 12.399 ( 5.299 5.118 3.639) 8.217 13.288 ( -10.967 0.435 9.037) 14.218 13.662 ( 4.114 -1.787 2.340) 5.059 14.044 ( 3.208 -5.442 0.053) 6.317 15.175 ( -25.740 8.642 -0.605) 27.159 15.582 ( 4.967 -2.407 5.554) 7.830 17.063 ( 33.135 8.916 -23.341) 41.500 17.248 ( -6.384 -4.119 0.986) 7.661 18.297 ( -26.918 -2.057 -13.242) 30.069 19.285 ( 4.508 -3.540 3.007) 6.472 19.946 ( -12.539 3.063 9.768) 16.187 22.096 ( 20.556 -4.923 10.996) 23.826 23.820 ( -13.129 -1.157 -2.590) 13.432 23.928 ( 5.478 1.136 3.298) 6.494 ======================= Grid point 48 (29/260) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -4.847 5.521 2.364) 7.718 2.250 ( -0.137 -10.487 3.203) 10.966 2.938 ( 4.858 6.089 4.608) 9.050 3.385 ( 8.850 -9.249 12.584) 17.951 3.619 ( -4.913 12.254 -9.779) 16.429 3.924 ( -5.407 -16.788 -7.687) 19.239 4.925 ( 3.331 5.097 3.873) 7.216 5.125 ( 4.433 -3.276 -1.374) 5.681 5.214 ( 1.553 1.990 -4.272) 4.963 5.758 ( 2.081 1.724 0.073) 2.703 6.032 ( -0.492 3.073 -0.519) 3.155 6.146 ( -0.980 1.887 2.360) 3.176 6.918 ( -5.392 2.152 5.222) 7.808 7.028 ( -9.716 -2.484 -2.840) 10.423 7.375 ( 19.255 -2.035 -2.176) 19.484 7.967 ( 4.339 1.020 0.237) 4.464 8.307 ( -18.026 0.001 3.911) 18.445 9.176 ( 4.546 1.525 6.697) 8.236 9.763 ( -9.232 1.231 -3.206) 9.850 10.345 ( -2.003 8.791 -10.077) 13.522 11.003 ( -0.289 -0.580 2.980) 3.050 12.024 ( 7.221 -7.539 -9.490) 14.108 12.440 ( -0.727 10.765 2.365) 11.046 13.095 ( -7.234 -6.999 6.613) 12.043 13.739 ( 2.827 3.018 0.992) 4.252 14.115 ( 3.552 -6.387 -0.167) 7.310 14.751 ( -14.794 8.706 0.613) 17.176 15.708 ( 5.902 -0.772 5.357) 8.008 16.985 ( -7.268 -1.801 2.045) 7.763 17.489 ( -8.947 1.514 -17.547) 19.755 18.191 ( 23.475 3.480 -8.888) 25.341 19.367 ( 2.856 -3.643 0.025) 4.629 19.633 ( -17.304 2.113 10.631) 20.418 22.466 ( 14.986 -4.128 7.173) 17.119 23.527 ( -13.989 -2.722 -3.144) 14.594 24.034 ( 4.099 1.763 1.487) 4.703 ======================= Grid point 49 (30/260) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 -4.174 -0.000) 4.174 2.261 ( 0.000 -5.245 0.000) 5.245 2.997 ( 0.000 5.077 0.000) 5.077 3.507 ( -0.000 13.230 -0.000) 13.230 3.554 ( 0.000 -8.457 0.000) 8.457 3.851 ( -0.000 -17.657 -0.000) 17.657 4.956 ( 0.000 0.737 -0.000) 0.737 5.194 ( 0.000 1.997 0.000) 1.997 5.215 ( -0.000 1.277 -0.000) 1.277 5.777 ( 0.000 1.801 -0.000) 1.801 6.026 ( 0.000 3.169 -0.000) 3.169 6.132 ( 0.000 1.117 -0.000) 1.117 6.870 ( -0.000 0.203 0.000) 0.203 6.905 ( 0.000 0.200 -0.000) 0.200 7.803 ( -0.000 -1.421 0.000) 1.421 7.862 ( 0.000 7.092 -0.000) 7.092 8.060 ( 0.000 -6.191 0.000) 6.191 9.235 ( 0.000 1.512 0.000) 1.512 9.654 ( 0.000 1.506 -0.000) 1.506 10.325 ( 0.000 8.818 -0.000) 8.818 10.999 ( 0.000 -0.852 0.000) 0.852 12.109 ( 0.000 -9.819 0.000) 9.819 12.420 ( 0.000 16.166 -0.000) 16.166 13.018 ( 0.000 -11.470 -0.000) 11.470 13.770 ( 0.000 4.525 0.000) 4.525 14.163 ( 0.000 -6.392 -0.000) 6.392 14.588 ( 0.000 8.995 0.000) 8.995 15.781 ( 0.000 -0.030 0.000) 0.030 16.913 ( 0.000 -5.041 -0.000) 5.041 17.323 ( 0.000 1.856 0.000) 1.856 18.568 ( 0.000 7.767 -0.000) 7.767 19.355 ( 0.000 4.158 -0.000) 4.158 19.418 ( -0.000 -7.551 0.000) 7.551 22.656 ( -0.000 -3.090 -0.000) 3.090 23.343 ( 0.000 -4.070 0.000) 4.070 24.079 ( 0.000 1.993 0.000) 1.993 ======================= Grid point 99 (31/260) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -10.635 0.000 30.387) 32.195 0.668 ( 5.033 0.000 34.112) 34.481 1.130 ( 15.627 0.000 56.596) 58.714 3.314 ( 0.493 0.000 1.870) 1.934 3.317 ( 4.559 0.000 12.409) 13.220 4.099 ( -2.381 0.000 -2.648) 3.561 4.455 ( 5.481 0.000 -9.324) 10.816 4.547 ( 6.981 0.000 -24.556) 25.529 5.372 ( -1.847 0.000 3.196) 3.691 5.385 ( 27.522 0.000 -6.350) 28.245 5.669 ( -6.906 0.000 22.580) 23.612 6.395 ( -5.278 0.000 -0.855) 5.347 6.678 ( -15.662 0.000 10.222) 18.703 7.845 ( -1.731 0.000 -6.863) 7.078 8.149 ( 4.972 0.000 -15.835) 16.597 8.401 ( 0.545 0.000 -6.974) 6.995 8.515 ( -1.926 0.000 3.700) 4.171 8.693 ( -8.223 0.000 2.744) 8.669 9.489 ( 6.257 0.000 2.699) 6.814 10.468 ( 6.517 0.000 -0.345) 6.526 11.431 ( 32.526 0.000 -14.986) 35.812 12.040 ( 21.701 0.000 13.835) 25.736 12.095 ( -1.890 0.000 -10.047) 10.223 13.191 ( 1.886 0.000 4.500) 4.879 14.267 ( -5.908 0.000 -0.216) 5.912 14.393 ( 17.790 0.000 -5.489) 18.617 15.307 ( 5.167 0.000 -0.426) 5.185 15.321 ( -4.899 0.000 2.834) 5.659 17.466 (-181.723 0.000 -1.754) 181.732 17.623 ( 2.121 0.000 -7.199) 7.505 19.050 ( -2.227 0.000 0.717) 2.339 19.480 ( 0.022 0.000 -0.700) 0.701 20.393 ( -9.041 0.000 9.443) 13.073 21.857 ( 148.393 0.000 -3.170) 148.427 22.931 ( 5.639 0.000 2.665) 6.237 24.089 ( -1.810 0.000 -2.365) 2.979 ======================= Grid point 100 (32/260) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 19.463 0.000 18.313) 26.724 0.991 ( 26.188 0.000 18.992) 32.350 1.809 ( 37.996 0.000 44.172) 58.265 3.342 ( 2.349 0.000 3.705) 4.387 3.429 ( 4.925 0.000 16.602) 17.317 4.116 ( 4.404 0.000 -5.869) 7.338 4.519 ( 2.030 0.000 -13.038) 13.195 4.649 ( 3.737 0.000 -25.400) 25.673 5.277 ( -7.457 0.000 9.478) 12.060 5.577 ( -2.614 0.000 14.941) 15.168 5.875 ( 5.704 0.000 -10.378) 11.842 6.510 ( -4.411 0.000 11.965) 12.752 6.555 ( 21.200 0.000 -20.471) 29.471 7.760 ( -5.866 0.000 -8.319) 10.179 8.207 ( 0.994 0.000 -10.798) 10.843 8.245 ( -13.137 0.000 -14.765) 19.763 8.455 ( -2.149 0.000 5.030) 5.470 8.549 ( -6.706 0.000 9.135) 11.332 9.603 ( 4.137 0.000 3.374) 5.338 10.520 ( -0.792 0.000 5.620) 5.675 11.371 ( -30.357 0.000 3.941) 30.612 12.134 ( 6.098 0.000 -11.949) 13.415 12.323 ( -4.553 0.000 17.814) 18.387 13.195 ( -1.953 0.000 6.126) 6.430 14.174 ( -2.628 0.000 -3.231) 4.165 14.495 ( -36.749 0.000 32.481) 49.046 14.808 ( -3.019 0.000 7.805) 8.369 15.307 ( 2.297 0.000 0.713) 2.405 15.315 ( -4.924 0.000 0.905) 5.007 17.575 ( -4.197 0.000 -2.834) 5.064 19.145 ( 9.866 0.000 -3.553) 10.486 19.475 ( -2.539 0.000 1.380) 2.890 20.065 ( -21.785 0.000 3.228) 22.023 23.102 ( 9.637 0.000 6.913) 11.860 23.609 ( 24.954 0.000 -24.467) 34.947 24.010 ( -4.257 0.000 -5.942) 7.309 ======================= Grid point 101 (33/260) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 27.058 0.000 8.534) 28.372 1.589 ( 28.661 0.000 9.164) 30.091 2.609 ( 35.952 0.000 25.541) 44.101 3.425 ( 5.994 0.000 8.477) 10.382 3.514 ( 2.280 0.000 16.234) 16.394 4.257 ( 8.145 0.000 -6.777) 10.596 4.565 ( 3.212 0.000 -14.279) 14.635 4.673 ( -0.294 0.000 -27.166) 27.168 5.124 ( -5.904 0.000 16.728) 17.739 5.560 ( 0.194 0.000 6.208) 6.211 5.852 ( -3.987 0.000 1.539) 4.274 6.366 ( -9.028 0.000 14.720) 17.268 6.961 ( 14.794 0.000 -25.304) 29.312 7.617 ( -6.796 0.000 -10.054) 12.135 7.898 ( -18.116 0.000 -9.260) 20.345 8.186 ( -5.741 0.000 -0.701) 5.783 8.414 ( -4.204 0.000 1.400) 4.431 8.469 ( 3.706 0.000 1.243) 3.908 9.657 ( 1.028 0.000 1.914) 2.173 10.463 ( -4.636 0.000 10.350) 11.341 10.588 ( -37.146 0.000 31.599) 48.768 12.250 ( -1.444 0.000 16.378) 16.442 12.321 ( 11.967 0.000 -12.884) 17.584 13.114 ( -6.093 0.000 6.743) 9.088 14.133 ( -8.879 0.000 9.393) 12.926 14.163 ( 1.770 0.000 -3.945) 4.324 15.057 ( 16.446 0.000 -19.347) 25.392 15.103 ( -14.905 0.000 -1.745) 15.006 15.467 ( 12.676 0.000 -5.688) 13.893 17.543 ( 2.377 0.000 4.222) 4.845 19.311 ( -3.929 0.000 -14.778) 15.291 19.351 ( -9.664 0.000 5.324) 11.034 19.610 ( -12.276 0.000 7.137) 14.200 23.297 ( 8.178 0.000 8.591) 11.861 23.711 ( -4.499 0.000 1.946) 4.901 23.976 ( 0.248 0.000 -10.063) 10.066 ======================= Grid point 102 (34/260) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 26.865 0.000 4.968) 27.320 2.133 ( 23.004 0.000 6.344) 23.862 3.183 ( 14.900 0.000 -2.648) 15.134 3.520 ( -2.982 0.000 14.792) 15.090 3.665 ( 18.982 0.000 19.863) 27.475 4.366 ( 1.317 0.000 -9.263) 9.356 4.620 ( -3.137 0.000 -19.301) 19.554 4.648 ( 5.947 0.000 -14.676) 15.835 5.143 ( 8.412 0.000 11.418) 14.182 5.584 ( 1.829 0.000 1.768) 2.544 5.750 ( -5.861 0.000 5.570) 8.085 6.140 ( -13.753 0.000 15.737) 20.899 7.128 ( 2.999 0.000 -12.880) 13.224 7.510 ( -2.476 0.000 -11.061) 11.335 7.512 ( -18.536 0.000 -4.782) 19.143 7.936 ( -16.493 0.000 10.939) 19.791 8.439 ( 5.285 0.000 -5.440) 7.584 8.618 ( 10.798 0.000 -6.223) 12.463 9.651 ( -1.527 0.000 -0.133) 1.533 9.960 ( -25.351 0.000 25.117) 35.687 10.354 ( -6.255 0.000 17.383) 18.474 12.244 ( -0.249 0.000 8.828) 8.831 12.581 ( 12.206 0.000 -10.652) 16.201 12.972 ( -6.349 0.000 3.740) 7.369 13.941 ( -9.861 0.000 1.160) 9.929 14.238 ( 5.428 0.000 -2.882) 6.146 14.745 ( -18.381 0.000 -4.495) 18.923 15.359 ( 11.937 0.000 -11.975) 16.908 15.838 ( 23.323 0.000 -12.024) 26.240 17.688 ( 10.956 0.000 11.059) 15.567 18.815 ( -30.370 0.000 -12.360) 32.789 19.089 ( -15.649 0.000 8.138) 17.638 19.723 ( 10.475 0.000 0.566) 10.491 23.429 ( 4.013 0.000 8.331) 9.247 23.595 ( -5.987 0.000 -2.399) 6.450 23.972 ( -0.255 0.000 -4.199) 4.207 ======================= Grid point 103 (35/260) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 23.738 0.000 3.012) 23.928 2.509 ( 11.775 0.000 4.048) 12.451 3.280 ( -0.994 0.000 -12.016) 12.057 3.379 ( -11.540 0.000 14.471) 18.509 4.104 ( 18.052 0.000 8.483) 19.946 4.317 ( -4.495 0.000 -14.735) 15.406 4.569 ( -0.534 0.000 -9.315) 9.330 4.812 ( 10.260 0.000 -12.187) 15.931 5.436 ( 17.452 0.000 3.673) 17.834 5.625 ( -6.123 0.000 8.238) 10.265 5.633 ( 2.580 0.000 1.792) 3.142 5.807 ( -18.923 0.000 14.964) 24.125 7.154 ( -14.983 0.000 -0.504) 14.992 7.162 ( 2.948 0.000 -0.885) 3.078 7.487 ( -0.012 0.000 -8.583) 8.583 7.587 ( -16.364 0.000 9.637) 18.991 8.581 ( 7.791 0.000 -0.745) 7.826 8.893 ( 15.667 0.000 -11.186) 19.251 9.530 ( -18.027 0.000 15.791) 23.965 9.599 ( -3.307 0.000 -2.724) 4.285 10.234 ( -5.900 0.000 25.295) 25.974 12.234 ( -1.230 0.000 4.262) 4.436 12.662 ( -4.808 0.000 2.562) 5.448 13.015 ( 11.356 0.000 -10.606) 15.539 13.750 ( -7.985 0.000 -3.622) 8.768 14.347 ( -4.514 0.000 -3.017) 5.429 14.403 ( -4.567 0.000 -2.996) 5.462 15.546 ( 7.078 0.000 -4.694) 8.492 16.353 ( 25.247 0.000 -12.281) 28.076 17.989 ( 17.058 0.000 16.342) 23.623 18.195 ( -27.821 0.000 -13.675) 31.000 18.740 ( -17.437 0.000 8.704) 19.489 19.917 ( 7.824 0.000 0.237) 7.828 23.467 ( -0.519 0.000 6.444) 6.465 23.468 ( -6.100 0.000 -9.506) 11.295 23.968 ( 0.025 0.000 -0.960) 0.961 ======================= Grid point 104 (36/260) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -9.890 0.000 -2.504) 10.203 2.768 ( 16.606 0.000 2.800) 16.840 3.075 ( -16.919 0.000 13.367) 21.562 3.266 ( 2.009 0.000 -12.830) 12.987 4.198 ( -5.635 0.000 -19.248) 20.056 4.309 ( -0.512 0.000 -1.737) 1.811 4.580 ( 1.205 0.000 -5.265) 5.401 4.983 ( 3.773 0.000 -14.988) 15.456 5.417 ( -16.449 0.000 11.453) 20.043 5.570 ( 2.376 0.000 13.195) 13.408 5.637 ( -1.542 0.000 1.373) 2.065 5.813 ( 15.244 0.000 7.640) 17.051 6.953 ( -2.716 0.000 0.995) 2.892 7.295 ( 9.704 0.000 9.583) 13.639 7.321 ( -8.454 0.000 3.865) 9.296 7.497 ( 1.445 0.000 -6.358) 6.521 8.730 ( 5.959 0.000 5.116) 7.853 9.189 ( -13.941 0.000 1.618) 14.035 9.236 ( 15.182 0.000 -6.636) 16.569 9.521 ( -3.755 0.000 -6.261) 7.300 10.146 ( -3.647 0.000 32.577) 32.781 12.189 ( -3.349 0.000 0.835) 3.452 12.556 ( -3.738 0.000 1.146) 3.910 13.251 ( 8.856 0.000 -7.551) 11.639 13.628 ( -3.277 0.000 -7.434) 8.124 14.103 ( -7.875 0.000 -8.333) 11.465 14.521 ( 6.217 0.000 2.970) 6.890 15.657 ( 3.780 0.000 0.203) 3.785 16.796 ( 16.089 0.000 -4.494) 16.705 17.675 ( -20.863 0.000 -14.055) 25.156 18.405 ( 21.710 0.000 18.177) 28.315 18.438 ( -9.977 0.000 4.696) 11.027 20.037 ( 3.602 0.000 3.141) 4.779 23.331 ( -6.695 0.000 -16.521) 17.826 23.419 ( -4.157 0.000 3.139) 5.209 23.974 ( 0.651 0.000 0.389) 0.759 ======================= Grid point 105 (37/260) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -24.404 0.000 -10.893) 26.725 2.607 ( -23.037 0.000 16.622) 28.408 3.111 ( 10.518 0.000 -0.404) 10.525 3.316 ( 1.638 0.000 -9.402) 9.543 4.013 ( -26.904 0.000 1.632) 26.953 4.095 ( -2.618 0.000 -23.169) 23.317 4.585 ( -1.148 0.000 -3.426) 3.613 4.951 ( -4.228 0.000 -10.064) 10.916 5.199 ( -4.861 0.000 -4.638) 6.719 5.536 ( -7.217 0.000 7.669) 10.531 5.761 ( 13.109 0.000 12.920) 18.406 6.031 ( 4.496 0.000 13.649) 14.371 7.082 ( 14.501 0.000 -1.460) 14.574 7.282 ( 5.003 0.000 -5.217) 7.229 7.527 ( 7.360 0.000 5.220) 9.023 7.562 ( 8.975 0.000 5.959) 10.773 8.819 ( 2.335 0.000 10.266) 10.528 8.851 ( -17.128 0.000 -3.887) 17.563 9.448 ( -2.908 0.000 -10.403) 10.802 9.586 ( 17.058 0.000 -5.526) 17.931 10.116 ( -0.854 0.000 34.628) 34.639 12.096 ( -5.461 0.000 -2.025) 5.825 12.523 ( 0.097 0.000 -3.125) 3.127 13.281 ( -5.640 0.000 1.614) 5.866 13.612 ( 1.929 0.000 -9.856) 10.043 14.115 ( 9.287 0.000 -12.180) 15.316 14.627 ( 3.709 0.000 4.776) 6.047 15.699 ( 0.134 0.000 3.731) 3.733 16.952 ( -0.763 0.000 13.365) 13.387 17.336 ( -11.094 0.000 -13.695) 17.625 18.410 ( 7.534 0.000 -6.051) 9.663 18.885 ( 23.321 0.000 16.995) 28.856 20.067 ( -0.854 0.000 8.746) 8.787 23.170 ( -8.141 0.000 -23.938) 25.285 23.307 ( -6.531 0.000 -0.874) 6.589 23.995 ( 1.283 0.000 0.633) 1.431 ======================= Grid point 106 (38/260) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -30.096 0.000 -15.228) 33.729 2.099 ( -26.329 0.000 18.108) 31.955 3.187 ( -27.367 0.000 -0.158) 27.368 3.243 ( 2.293 0.000 -0.172) 2.299 3.429 ( -13.932 0.000 3.421) 14.346 4.098 ( 4.124 0.000 -25.822) 26.149 4.516 ( -5.475 0.000 -1.620) 5.710 4.820 ( -7.668 0.000 -5.779) 9.602 5.181 ( 2.282 0.000 -18.010) 18.154 5.406 ( -4.751 0.000 10.561) 11.581 6.038 ( -3.365 0.000 18.800) 19.099 6.047 ( 13.014 0.000 10.377) 16.644 7.461 ( 18.210 0.000 -8.519) 20.104 7.498 ( 16.898 0.000 -6.633) 18.154 7.621 ( 4.391 0.000 -4.883) 6.567 7.806 ( 9.777 0.000 18.883) 21.264 8.488 ( -16.883 0.000 -9.806) 19.524 8.852 ( 0.848 0.000 13.323) 13.350 9.390 ( -2.173 0.000 -13.280) 13.457 9.926 ( 15.746 0.000 -2.137) 15.890 10.133 ( 0.881 0.000 33.157) 33.169 11.975 ( -5.765 0.000 -2.970) 6.486 12.515 ( -1.999 0.000 -7.467) 7.730 13.126 ( -6.693 0.000 5.109) 8.420 13.688 ( 5.655 0.000 -10.320) 11.768 14.368 ( 12.293 0.000 -3.652) 12.824 14.692 ( 3.723 0.000 -1.116) 3.886 15.663 ( -3.751 0.000 5.854) 6.953 16.884 ( -3.521 0.000 32.078) 32.271 17.208 ( -0.819 0.000 -11.505) 11.534 18.671 ( 15.862 0.000 -12.416) 20.144 19.329 ( 16.504 0.000 8.447) 18.540 20.040 ( -0.444 0.000 19.188) 19.193 22.956 ( -12.049 0.000 -33.638) 35.731 23.157 ( -7.684 0.000 -4.238) 8.775 24.027 ( 1.742 0.000 0.297) 1.767 ======================= Grid point 107 (39/260) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -30.357 0.000 -12.930) 32.996 1.549 ( -27.450 0.000 20.355) 34.173 2.369 ( -43.780 0.000 17.175) 47.028 3.246 ( -0.793 0.000 1.747) 1.919 3.335 ( -2.009 0.000 -0.961) 2.227 4.216 ( 7.261 0.000 -25.916) 26.914 4.374 ( -7.176 0.000 0.141) 7.177 4.648 ( -8.386 0.000 -7.581) 11.305 5.230 ( 2.392 0.000 -22.044) 22.173 5.360 ( -0.404 0.000 9.036) 9.045 5.944 ( -6.110 0.000 20.883) 21.758 6.284 ( 9.191 0.000 8.061) 12.225 7.677 ( -2.816 0.000 -8.857) 9.294 7.767 ( 13.866 0.000 -15.347) 20.683 7.850 ( -7.069 0.000 -0.140) 7.071 7.916 ( 19.675 0.000 -3.594) 20.000 8.283 ( 1.820 0.000 6.862) 7.099 8.872 ( 0.169 0.000 12.544) 12.545 9.350 ( -0.743 0.000 -12.120) 12.143 10.131 ( 2.612 0.000 1.959) 3.266 10.277 ( 13.551 0.000 30.200) 33.101 11.877 ( -3.168 0.000 0.165) 3.173 12.397 ( -8.533 0.000 -8.436) 11.999 13.071 ( 0.938 0.000 4.134) 4.239 13.830 ( 8.598 0.000 -7.784) 11.598 14.484 ( -1.371 0.000 9.108) 9.211 14.866 ( 13.013 0.000 -11.346) 17.265 15.562 ( -5.885 0.000 6.820) 9.008 16.963 ( 12.815 0.000 53.789) 55.295 17.281 ( 7.772 0.000 -8.977) 11.874 18.993 ( 15.041 0.000 -12.794) 19.746 19.439 ( -5.969 0.000 -0.571) 5.996 20.176 ( 12.030 0.000 26.524) 29.125 22.587 ( -24.278 0.000 -50.055) 55.632 22.999 ( -6.926 0.000 -5.314) 8.730 24.064 ( 1.747 0.000 -0.226) 1.762 ======================= Grid point 108 (40/260) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -5.559 0.000 20.376) 21.120 1.003 ( -25.650 0.000 24.471) 35.451 1.502 ( -38.687 0.000 34.021) 51.518 3.249 ( 1.445 0.000 6.402) 6.563 3.310 ( -0.371 0.000 0.527) 0.644 4.197 ( -6.317 0.000 -1.298) 6.449 4.398 ( 8.020 0.000 -23.785) 25.101 4.477 ( -7.085 0.000 -8.234) 10.863 5.230 ( -1.325 0.000 -18.235) 18.283 5.374 ( 0.777 0.000 5.506) 5.560 5.813 ( -7.424 0.000 22.356) 23.557 6.420 ( 3.288 0.000 4.683) 5.722 7.250 ( -31.222 0.000 -17.828) 35.953 7.838 ( 2.187 0.000 -5.150) 5.595 8.007 ( 9.665 0.000 -16.332) 18.977 8.256 ( 12.633 0.000 -4.083) 13.276 8.441 ( 8.485 0.000 12.005) 14.701 8.837 ( -4.666 0.000 4.967) 6.815 9.375 ( 3.887 0.000 -3.723) 5.382 10.245 ( 11.083 0.000 2.884) 11.452 10.632 ( 23.418 0.000 36.620) 43.468 11.861 ( 1.814 0.000 7.260) 7.483 12.209 ( -8.096 0.000 -8.513) 11.748 13.129 ( 3.530 0.000 3.274) 4.814 14.053 ( 13.746 0.000 -2.371) 13.949 14.397 ( -6.163 0.000 4.860) 7.849 15.129 ( 11.569 0.000 -5.747) 12.917 15.439 ( -6.176 0.000 5.925) 8.558 17.480 ( 10.368 0.000 -7.987) 13.088 17.717 ( 65.502 0.000 76.594) 100.783 19.220 ( -12.121 0.000 1.158) 12.176 19.265 ( 12.215 0.000 -8.312) 14.775 20.408 ( 6.446 0.000 18.813) 19.887 21.709 ( -64.822 0.000 -69.172) 94.799 22.895 ( -2.152 0.000 -2.728) 3.474 24.093 ( 0.939 0.000 -0.875) 1.284 ======================= Grid point 109 (41/260) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 12.597 21.946 18.655) 31.437 0.935 ( 6.614 17.994 29.407) 35.104 1.511 ( -3.145 35.473 39.096) 52.884 3.291 ( 4.447 -2.991 11.826) 12.983 3.419 ( 0.570 10.837 1.209) 10.919 3.892 ( -1.944 -15.206 -2.707) 15.567 4.487 ( 3.512 -2.833 -18.642) 19.180 4.682 ( 2.535 15.766 -10.563) 19.146 5.372 ( 6.398 0.175 0.504) 6.420 5.432 ( 7.579 4.565 -2.944) 9.325 5.721 ( -4.885 2.283 16.841) 17.684 6.364 ( -0.480 -3.944 1.847) 4.381 6.609 ( -10.412 -3.260 9.557) 14.504 7.667 ( 1.811 -10.203 -4.144) 11.161 8.238 ( 6.284 0.012 -10.109) 11.903 8.246 ( 0.044 -0.627 13.335) 13.350 8.479 ( -4.196 -1.897 -7.378) 8.698 9.122 ( -10.798 22.309 -14.802) 28.869 9.411 ( 4.599 -4.499 -3.527) 7.337 10.583 ( 4.745 9.431 -1.246) 10.631 11.129 ( 20.650 -18.433 14.182) 31.102 11.871 ( 5.168 -6.148 11.614) 14.120 12.113 ( -4.054 -4.860 -3.924) 7.446 13.441 ( 12.764 15.792 -14.636) 25.031 14.209 ( 0.415 -7.294 -0.593) 7.330 14.306 ( 8.136 -6.454 0.351) 10.391 15.092 ( -13.538 -11.133 16.191) 23.861 15.339 ( -5.746 0.940 2.680) 6.410 17.066 ( -52.473 -15.595 -4.899) 54.960 18.029 ( -48.251 14.154 -19.998) 54.114 19.096 ( 2.929 4.598 -0.093) 5.452 19.498 ( -0.535 1.506 -2.317) 2.815 20.378 ( -7.988 -1.442 10.073) 12.936 21.017 ( 80.023 -34.620 35.185) 94.022 23.579 ( 16.798 23.106 -19.500) 34.588 24.085 ( -1.824 0.209 -2.845) 3.386 ======================= Grid point 110 (42/260) ======================= q-point: ( 0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 3.525 19.235 24.289) 31.183 1.226 ( 25.142 19.258 12.082) 33.896 1.963 ( 33.246 16.574 34.362) 50.604 3.399 ( 4.706 -3.153 16.059) 17.029 3.438 ( 1.510 9.786 3.276) 10.430 3.909 ( 4.227 -16.040 -6.498) 17.815 4.543 ( 2.302 1.207 -14.633) 14.862 4.770 ( 3.647 9.227 -19.473) 21.855 5.315 ( -4.003 3.654 5.621) 7.809 5.596 ( -6.152 0.907 14.109) 15.419 5.803 ( 11.868 -5.316 -6.374) 14.482 6.421 ( -0.455 -8.051 9.359) 12.354 6.558 ( 10.475 1.495 -7.774) 13.130 7.661 ( -2.571 -6.223 -4.229) 7.951 8.178 ( -8.141 -4.582 -6.743) 11.521 8.227 ( -7.115 0.280 -2.182) 7.447 8.423 ( 2.033 1.880 5.382) 6.052 8.873 ( -11.311 21.192 -12.298) 26.987 9.505 ( 3.707 -7.200 2.173) 8.385 10.627 ( -0.356 8.687 3.300) 9.300 11.166 ( -18.410 -15.934 15.335) 28.775 12.014 ( 5.480 -13.480 16.955) 22.343 12.081 ( 3.792 -5.704 -8.093) 10.603 13.613 ( -0.623 22.018 -10.800) 24.532 14.142 ( -3.920 -4.333 0.179) 5.846 14.357 ( -17.822 -9.312 21.634) 29.536 14.782 ( 5.452 -1.226 -1.760) 5.859 15.305 ( 1.096 2.638 -2.716) 3.942 15.699 ( -37.450 25.128 -4.483) 45.322 17.644 ( -7.200 6.284 -2.707) 9.932 19.150 ( 6.678 0.826 -1.613) 6.920 19.450 ( -6.497 -2.794 -2.369) 7.459 20.105 ( -16.959 4.048 5.304) 18.224 22.426 ( 41.501 -44.043 12.944) 61.885 23.837 ( 4.673 7.642 -7.013) 11.377 24.025 ( -2.468 2.005 -7.803) 8.426 ======================= Grid point 111 (43/260) ======================= q-point: ( 0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 20.639 2.881 14.279) 25.262 1.769 ( 25.745 13.465 9.788) 30.658 2.678 ( 32.068 7.044 17.340) 37.130 3.456 ( 0.979 -1.309 10.508) 10.635 3.523 ( 5.928 5.511 13.633) 15.855 4.058 ( 9.736 -16.124 -8.564) 20.691 4.572 ( 1.128 2.729 -15.590) 15.867 4.774 ( -2.178 5.093 -16.979) 17.859 5.245 ( -1.971 10.676 7.869) 13.408 5.516 ( -1.799 -4.081 5.736) 7.266 5.886 ( -1.024 3.020 2.005) 3.766 6.315 ( -7.873 -4.970 15.047) 17.695 6.883 ( 15.318 -7.035 -18.823) 25.268 7.552 ( -7.719 -3.523 -4.362) 9.541 7.885 ( -16.050 -2.381 -10.385) 19.265 8.132 ( -3.987 -4.928 2.330) 6.753 8.448 ( -2.082 7.273 12.533) 14.640 8.699 ( -2.534 16.400 -13.856) 21.619 9.555 ( 1.088 -6.987 2.980) 7.673 10.518 ( -18.439 -0.355 10.500) 21.222 10.683 ( -14.861 12.305 21.992) 29.256 12.086 ( 2.493 -11.346 9.787) 15.190 12.268 ( 12.064 -5.409 -10.149) 16.667 13.395 ( -14.362 20.974 8.325) 26.748 14.026 ( -6.767 -7.895 4.888) 11.490 14.196 ( 0.707 0.689 -1.221) 1.570 15.055 ( -1.763 0.767 -20.276) 20.367 15.143 ( 1.498 4.225 -4.984) 6.703 15.545 ( 12.338 7.193 -3.408) 14.683 17.565 ( 0.194 1.921 4.179) 4.603 19.155 ( -21.169 -12.906 -2.034) 24.876 19.314 ( 5.155 -1.386 -8.551) 10.080 19.790 ( -10.758 13.150 8.400) 18.953 22.978 ( 16.415 -25.827 10.518) 32.359 23.794 ( -5.233 4.160 0.505) 6.704 23.999 ( -0.968 1.772 -6.928) 7.216 ======================= Grid point 112 (44/260) ======================= q-point: ( 0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 24.439 -5.827 7.216) 26.140 2.267 ( 21.393 9.431 8.425) 24.852 3.168 ( 11.964 -1.204 -4.720) 12.917 3.447 ( -3.167 -6.648 12.325) 14.358 3.740 ( 15.774 6.670 17.477) 24.469 4.254 ( 8.184 -12.413 -10.709) 18.323 4.569 ( -0.559 0.690 -20.611) 20.630 4.722 ( 0.074 5.015 -2.700) 5.696 5.288 ( 6.306 11.403 2.696) 13.306 5.504 ( -0.193 -5.854 0.704) 5.900 5.827 ( -3.891 5.876 5.092) 8.694 6.122 ( -11.556 -1.456 16.530) 20.222 7.106 ( 7.183 -3.958 -12.651) 15.077 7.347 ( -11.588 -6.985 -3.321) 13.932 7.557 ( -14.691 -0.546 -4.233) 15.299 8.018 ( -8.319 3.785 4.658) 10.258 8.400 ( 0.880 1.602 4.535) 4.890 8.776 ( 8.587 12.012 -10.801) 18.294 9.560 ( -0.473 -5.198 3.529) 6.301 10.011 ( -24.090 3.241 16.831) 29.565 10.556 ( -4.706 17.845 14.701) 23.595 12.121 ( 0.185 -9.177 6.837) 11.446 12.538 ( 14.067 -6.291 -12.568) 19.885 13.130 ( -11.221 13.881 6.779) 19.093 13.878 ( -7.539 -4.998 1.870) 9.236 14.253 ( 4.327 0.888 -4.071) 6.007 14.704 ( -18.246 -3.435 -4.002) 18.993 15.410 ( 11.403 4.917 -10.717) 16.403 15.931 ( 23.585 9.102 -12.836) 28.352 17.671 ( 9.568 -1.959 11.010) 14.717 18.612 ( -28.675 -14.714 -7.261) 33.037 19.234 ( -12.453 8.451 -1.023) 15.085 19.761 ( 5.745 4.412 4.635) 8.600 23.208 ( 6.191 -17.314 8.896) 20.426 23.688 ( -4.593 4.626 -5.115) 8.286 23.968 ( -1.626 -0.400 -1.339) 2.144 ======================= Grid point 113 (45/260) ======================= q-point: ( 0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 21.447 -9.673 3.449) 23.779 2.625 ( 11.748 6.954 5.784) 14.826 3.231 ( -1.465 -4.156 -11.460) 12.278 3.302 ( -11.840 -7.949 13.175) 19.415 4.071 ( 11.575 -3.081 3.692) 12.534 4.324 ( -0.956 -1.782 -15.316) 15.449 4.589 ( 4.662 1.377 -14.633) 15.419 4.834 ( 9.922 4.653 0.270) 10.963 5.461 ( 3.106 -2.701 2.172) 4.654 5.492 ( 2.949 -2.188 1.365) 3.918 5.767 ( -1.604 6.836 4.403) 8.288 5.868 ( -11.556 6.469 16.179) 20.908 7.093 ( -11.548 -4.774 -0.214) 12.497 7.219 ( 5.099 0.211 -2.937) 5.888 7.294 ( -10.192 -5.084 1.091) 11.442 7.823 ( -9.114 12.837 2.764) 15.984 8.504 ( 7.220 -5.581 2.437) 9.445 8.993 ( 12.000 7.765 -9.910) 17.392 9.531 ( -7.413 -2.617 -2.159) 8.152 9.599 ( -11.243 5.738 16.625) 20.874 10.464 ( -4.861 19.976 17.732) 27.150 12.095 ( -2.768 -9.790 3.891) 10.892 12.796 ( 8.432 0.094 -8.139) 11.720 12.969 ( -2.020 4.690 -0.954) 5.195 13.735 ( -5.695 -1.108 -0.721) 5.846 14.313 ( -8.175 -3.029 -3.668) 9.458 14.395 ( -1.488 -0.928 -2.623) 3.155 15.588 ( 6.481 3.971 -4.320) 8.743 16.434 ( 24.289 7.995 -13.222) 28.787 17.905 ( 0.798 -11.668 10.852) 15.954 18.081 ( -10.158 -4.616 -5.488) 12.434 18.912 ( -16.880 13.550 4.123) 22.035 19.901 ( 6.265 -1.533 1.962) 6.742 23.255 ( -1.705 -12.351 3.281) 12.893 23.606 ( -2.867 4.188 -8.472) 9.876 23.940 ( -0.938 -1.962 1.510) 2.648 ======================= Grid point 114 (46/260) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -1.188 -6.377 0.679) 6.522 2.755 ( 5.475 -0.865 -1.510) 5.745 2.988 ( -16.721 -8.686 11.669) 22.163 3.240 ( 3.764 -2.509 -8.747) 9.847 4.157 ( -2.987 -10.915 -6.207) 12.907 4.255 ( -3.917 3.902 -19.769) 20.528 4.706 ( 4.529 8.121 -6.431) 11.305 5.030 ( 6.396 4.519 -9.562) 12.360 5.348 ( -14.063 -5.163 13.339) 20.059 5.481 ( 1.232 -5.302 6.756) 8.676 5.757 ( -1.033 8.301 3.502) 9.069 5.886 ( 9.478 6.652 9.830) 15.189 6.936 ( -1.599 -1.132 1.526) 2.483 7.125 ( -4.381 -11.674 -0.253) 12.471 7.383 ( 9.564 7.954 8.626) 15.137 7.689 ( -3.238 11.409 -1.693) 11.980 8.624 ( 2.216 -9.156 5.932) 11.132 9.135 ( -6.116 -4.461 -7.768) 10.847 9.342 ( 4.659 9.785 1.808) 10.988 9.589 ( 2.845 7.360 3.144) 8.494 10.378 ( -4.150 20.776 21.416) 30.125 12.026 ( -3.585 -10.877 0.419) 11.460 12.795 ( -3.077 18.029 0.119) 18.290 13.088 ( 6.911 -14.400 -8.349) 18.023 13.660 ( -1.554 1.931 -3.135) 3.997 14.089 ( -6.286 -1.162 -6.687) 9.251 14.489 ( 4.995 -3.069 1.028) 5.952 15.680 ( 2.583 2.073 -0.495) 3.349 16.868 ( 16.252 7.039 -4.972) 18.396 17.545 ( -16.552 -12.095 -11.276) 23.397 18.301 ( 6.841 -2.245 13.630) 15.415 18.676 ( 1.504 14.877 5.540) 15.946 19.997 ( 2.649 -4.142 3.803) 6.216 23.154 ( -7.487 -11.320 -6.395) 15.003 23.552 ( -2.543 6.153 -7.946) 10.366 23.934 ( 0.414 -3.250 2.035) 3.857 ======================= Grid point 115 (47/260) ======================= q-point: (-0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -21.997 1.488 -8.171) 23.513 2.481 ( -24.993 -11.420 12.732) 30.285 3.047 ( 11.070 -5.601 -2.012) 12.568 3.319 ( 2.930 -0.663 -6.466) 7.130 3.943 ( -18.193 -7.374 -3.631) 19.963 4.162 ( -3.186 6.388 -22.348) 23.461 4.685 ( -6.906 9.137 0.805) 11.482 5.011 ( -7.128 5.305 -3.052) 9.395 5.162 ( 0.749 -2.129 -7.314) 7.655 5.599 ( 1.128 1.206 6.147) 6.364 5.725 ( 3.812 0.666 11.025) 11.684 6.038 ( 3.392 0.880 13.342) 13.794 7.051 ( 10.309 -4.846 -2.810) 11.732 7.160 ( 9.572 -5.450 -2.525) 11.301 7.577 ( 6.623 3.618 12.384) 14.502 7.718 ( 7.229 11.212 -1.339) 13.407 8.512 ( -13.411 -16.172 2.408) 21.146 9.005 ( -1.830 2.343 -0.156) 2.977 9.482 ( 3.993 6.437 -2.564) 7.997 9.737 ( 11.820 11.605 -0.618) 16.577 10.321 ( -2.165 19.755 23.706) 30.934 11.956 ( -3.277 -9.681 -2.807) 10.599 12.736 ( -2.573 16.775 -3.479) 17.324 13.125 ( -3.271 -14.287 -1.536) 14.737 13.648 ( 0.922 2.802 -4.284) 5.201 14.139 ( 11.073 2.294 -10.381) 15.350 14.571 ( 2.739 -5.394 3.634) 7.057 15.696 ( -0.969 -0.440 2.153) 2.402 17.021 ( -0.757 6.010 12.026) 13.466 17.304 ( -8.210 -2.238 -13.119) 15.637 18.352 ( 7.183 -4.503 1.050) 8.542 19.000 ( 21.115 10.088 9.843) 25.387 20.010 ( -1.520 -5.859 8.695) 10.595 22.954 ( -11.372 -14.426 -14.822) 23.604 23.480 ( -4.047 9.955 -9.466) 14.321 23.960 ( 1.940 -3.253 1.502) 4.075 ======================= Grid point 116 (48/260) ======================= q-point: (-0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -26.994 7.329 -13.055) 30.868 1.927 ( -28.441 -13.786 16.218) 35.524 3.198 ( 2.235 -3.992 0.426) 4.595 3.314 ( -9.740 7.993 -6.263) 14.070 3.459 ( -19.330 3.283 5.484) 20.360 4.128 ( 0.629 1.818 -22.236) 22.319 4.491 ( -9.611 1.633 1.052) 9.805 4.914 ( -2.555 6.772 -2.991) 7.831 5.211 ( 2.560 3.038 -17.676) 18.117 5.498 ( -5.369 8.846 7.407) 12.726 5.910 ( 6.129 -9.127 14.125) 17.899 6.077 ( 2.871 -0.074 13.395) 13.699 7.271 ( 10.891 -12.235 -7.390) 17.970 7.469 ( 15.539 -2.827 -2.770) 16.035 7.712 ( 8.503 0.511 4.152) 9.477 7.917 ( 8.940 10.473 7.873) 15.861 8.168 ( -16.495 -16.932 -4.108) 23.992 9.025 ( 2.699 4.196 6.416) 8.127 9.514 ( 0.096 12.484 -12.002) 17.318 10.018 ( 14.175 8.254 4.807) 17.093 10.311 ( 0.065 18.257 22.765) 29.182 11.881 ( -3.719 -6.857 -3.824) 8.687 12.657 ( -6.246 10.658 -6.702) 14.054 13.030 ( -2.885 -8.662 1.556) 9.261 13.712 ( 5.172 2.323 -6.243) 8.433 14.416 ( 10.165 3.894 -1.052) 10.936 14.646 ( 8.645 -3.700 -2.676) 9.777 15.647 ( -3.761 -1.635 4.028) 5.748 16.938 ( -7.650 5.631 30.435) 31.883 17.188 ( 0.795 -1.828 -11.495) 11.667 18.641 ( 18.242 -2.654 -7.451) 19.883 19.394 ( 13.419 5.941 2.782) 14.936 19.978 ( 0.247 -6.219 19.587) 20.552 22.657 ( -17.290 -19.956 -22.891) 34.945 23.384 ( -4.424 13.129 -12.552) 18.695 24.010 ( 2.631 -1.711 0.548) 3.186 ======================= Grid point 117 (49/260) ======================= q-point: (-0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -26.018 13.335 -9.691) 30.801 1.352 ( -27.051 -10.658 20.792) 35.744 2.683 ( -35.637 23.951 14.573) 45.343 3.221 ( -0.803 -2.372 1.921) 3.156 3.395 ( 0.474 6.280 -1.839) 6.561 4.106 ( -4.055 -10.879 -9.958) 15.296 4.371 ( -0.132 4.839 -12.867) 13.747 4.859 ( -3.374 14.392 -7.593) 16.618 5.214 ( -1.041 0.520 -13.312) 13.363 5.464 ( 1.419 8.517 1.347) 8.739 5.901 ( -4.810 -4.171 20.060) 21.046 6.225 ( 7.917 -5.956 8.048) 12.764 7.414 ( -3.745 -23.169 0.639) 23.478 7.576 ( -6.672 -11.718 -14.652) 19.913 7.815 ( 7.432 -1.193 -3.482) 8.293 8.106 ( 13.109 9.951 -3.924) 16.920 8.135 ( 9.881 -2.863 14.186) 17.523 9.109 ( 4.771 3.715 8.770) 10.652 9.486 ( -2.015 17.266 -21.379) 27.554 10.298 ( 10.652 9.213 -4.463) 14.774 10.353 ( 5.223 14.575 34.478) 37.794 11.813 ( -2.286 -4.780 -0.930) 5.379 12.461 ( -11.149 2.944 -5.399) 12.732 13.060 ( 5.104 0.187 -1.972) 5.475 13.842 ( 7.487 0.542 -5.837) 9.509 14.443 ( -3.632 -4.605 7.497) 9.519 14.978 ( 17.632 11.123 -9.427) 22.879 15.559 ( -4.479 -0.176 4.522) 6.367 16.863 ( 3.313 -8.315 41.653) 42.604 17.347 ( 14.582 5.490 0.352) 15.585 19.014 ( 17.156 1.903 -8.906) 19.424 19.418 ( -9.595 -2.218 -4.556) 10.851 20.148 ( 13.090 -2.620 25.578) 28.852 22.164 ( -31.505 -27.687 -32.613) 53.130 23.307 ( -1.754 17.388 -15.566) 23.403 24.062 ( 2.217 -0.223 -0.452) 2.274 ======================= Grid point 118 (50/260) ======================= q-point: (-0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -5.896 18.245 16.625) 25.378 0.897 ( -14.712 5.769 24.988) 29.566 1.968 ( -32.776 34.514 25.244) 53.877 3.223 ( 1.446 -2.787 6.197) 6.946 3.406 ( 0.652 9.949 -0.165) 9.971 3.979 ( -6.122 -14.417 -1.421) 15.727 4.427 ( 4.061 1.871 -21.431) 21.893 4.751 ( -6.308 18.457 -11.883) 22.840 5.210 ( 2.378 0.657 -7.482) 7.878 5.480 ( -1.500 7.640 -1.333) 7.899 5.800 ( -4.848 -1.403 20.884) 21.485 6.349 ( 3.285 -7.319 5.405) 9.673 6.996 ( -24.924 -18.033 -0.562) 30.768 7.606 ( 3.890 -10.311 -6.279) 12.683 8.037 ( 11.488 -6.225 -5.339) 14.115 8.223 ( 2.825 7.657 9.165) 12.272 8.430 ( 10.094 -1.061 -2.624) 10.483 9.207 ( 3.174 4.361 7.348) 9.115 9.411 ( -3.807 15.814 -28.598) 32.901 10.439 ( 8.045 15.304 -4.377) 17.835 10.638 ( 18.451 2.275 35.336) 39.928 11.803 ( 1.330 -4.196 4.746) 6.472 12.244 ( -8.724 -0.411 -4.792) 9.962 13.211 ( 9.421 7.728 -6.224) 13.682 14.020 ( 10.177 -3.829 -2.764) 11.219 14.349 ( -5.086 -4.932 5.490) 8.963 15.189 ( 2.005 5.357 -1.999) 6.059 15.471 ( -5.020 2.733 2.471) 6.227 17.167 ( 17.001 -20.731 20.036) 33.470 17.951 ( 51.016 13.737 34.887) 63.312 19.114 ( -18.044 -7.957 -7.741) 21.186 19.322 ( 13.193 4.463 -5.215) 14.872 20.385 ( 6.443 -2.401 18.298) 19.547 21.208 ( -59.902 -27.798 -32.475) 73.591 23.336 ( 6.378 23.815 -17.643) 30.317 24.094 ( 0.817 0.281 -1.405) 1.649 ======================= Grid point 119 (51/260) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 9.723 23.992 11.576) 28.358 1.318 ( 8.024 23.176 20.132) 31.730 2.271 ( -7.633 40.027 20.063) 45.419 3.196 ( 4.223 -6.956 10.489) 13.275 3.597 ( -4.003 -8.912 -0.085) 9.770 3.739 ( 1.052 16.344 0.748) 16.394 4.423 ( 2.889 -3.185 -15.438) 16.025 4.986 ( -2.413 13.388 -11.034) 17.516 5.363 ( 4.739 -2.360 -0.461) 5.314 5.506 ( -0.921 3.416 5.310) 6.381 5.758 ( -1.917 2.460 6.871) 7.545 6.208 ( 2.216 -11.375 7.919) 14.036 6.634 ( -3.867 4.804 2.674) 6.722 7.499 ( 3.759 -8.296 -4.854) 10.320 8.158 ( 8.548 -2.684 2.858) 9.404 8.350 ( -3.776 5.216 1.075) 6.529 8.431 ( -3.491 -2.960 -5.472) 7.134 9.157 ( 2.154 -9.617 12.200) 15.683 9.656 ( -7.237 22.464 -29.906) 38.096 10.745 ( 3.477 6.388 -1.223) 7.375 10.947 ( 5.215 -0.926 16.644) 17.466 11.750 ( 1.288 -7.596 4.714) 9.032 11.989 ( -3.952 -6.421 2.503) 7.945 13.662 ( 12.731 5.920 -13.873) 19.737 13.996 ( 4.810 -12.032 -3.813) 13.507 14.193 ( 2.466 -5.850 3.693) 7.345 14.989 ( -21.134 -0.584 18.296) 27.959 15.368 ( -2.405 2.018 1.153) 3.345 16.827 ( -19.149 -10.859 -16.304) 27.394 18.184 ( -28.544 4.254 -14.616) 32.349 19.205 ( 8.197 6.188 -1.691) 10.409 19.525 ( -2.951 1.084 -7.058) 7.727 20.347 ( -4.798 -1.498 11.941) 12.955 20.633 ( 40.776 -10.846 25.666) 49.387 23.788 ( 8.198 3.349 -6.184) 10.801 24.111 ( -0.956 2.235 -4.659) 5.255 ======================= Grid point 120 (52/260) ======================= q-point: ( 0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -1.414 22.598 21.506) 31.228 1.596 ( 18.345 19.036 13.216) 29.556 2.418 ( 18.377 28.555 13.700) 36.617 3.303 ( 4.785 -6.934 14.286) 16.585 3.572 ( 1.735 -10.157 -4.264) 11.152 3.752 ( 1.092 14.667 2.994) 15.009 4.530 ( 6.072 -2.358 -15.685) 16.984 4.935 ( -3.148 5.959 -12.388) 14.102 5.382 ( 0.228 1.020 -0.496) 1.157 5.536 ( -2.542 -3.488 11.039) 11.853 5.805 ( 8.456 4.186 -1.379) 9.535 6.241 ( 0.039 -9.741 11.616) 15.160 6.619 ( 2.793 4.432 -2.483) 5.797 7.566 ( 2.025 -4.274 -3.184) 5.701 8.082 ( -11.914 -4.931 -5.879) 14.171 8.229 ( -9.928 -0.232 7.779) 12.615 8.488 ( 8.522 4.354 0.486) 9.582 9.130 ( -6.018 0.168 5.805) 8.363 9.527 ( -2.483 15.527 -20.958) 26.200 10.757 ( -4.509 2.985 4.361) 6.946 10.962 ( -3.900 -3.574 12.992) 14.028 11.784 ( 2.760 -12.572 -0.432) 12.878 12.014 ( 5.771 -0.619 3.914) 7.000 13.842 ( 4.944 -0.560 -5.929) 7.740 13.983 ( -7.104 -7.501 1.908) 10.506 14.235 ( -6.093 -3.847 10.149) 12.447 14.805 ( 12.348 3.929 -5.847) 14.216 15.376 ( 2.011 4.404 -1.156) 4.978 16.056 ( -41.433 11.652 -19.874) 47.408 17.771 ( -11.881 6.208 -2.535) 13.643 19.180 ( -1.312 1.895 0.500) 2.359 19.373 ( -12.251 -4.642 -8.750) 15.754 20.207 ( -8.285 6.180 8.989) 13.698 21.733 ( 47.425 -27.859 19.256) 58.276 23.886 ( 0.767 -0.209 0.776) 1.111 24.075 ( -2.066 2.383 -7.012) 7.689 ======================= Grid point 121 (53/260) ======================= q-point: ( 0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 7.837 16.559 17.629) 25.425 2.013 ( 20.511 11.938 13.407) 27.257 2.858 ( 20.336 10.822 2.120) 23.134 3.364 ( -0.472 -6.847 12.019) 13.841 3.650 ( 5.818 -5.199 -0.976) 7.863 3.844 ( 8.330 6.102 2.875) 10.719 4.599 ( 0.642 -1.703 -18.495) 18.584 4.849 ( -3.096 3.043 -4.510) 6.260 5.401 ( 1.048 -0.532 -2.663) 2.911 5.475 ( -1.804 5.026 4.389) 6.912 5.944 ( 2.687 2.214 1.219) 3.689 6.207 ( -3.724 -4.678 15.608) 16.714 6.760 ( 10.212 -4.574 -7.955) 13.729 7.526 ( -7.234 0.332 -2.713) 7.733 7.808 ( -13.162 -5.137 -8.938) 16.719 8.037 ( -6.574 -4.754 10.451) 13.230 8.622 ( 2.110 9.893 9.871) 14.134 8.977 ( -5.487 9.336 -6.555) 12.659 9.521 ( 1.383 6.513 -8.364) 10.691 10.489 ( -19.583 -1.758 12.937) 23.537 10.913 ( -1.125 9.410 7.433) 12.044 11.876 ( 5.448 -11.702 -2.901) 13.230 12.182 ( 9.359 -1.453 -0.682) 9.496 13.670 ( -18.422 3.995 10.716) 21.683 13.881 ( -1.367 -4.962 0.965) 5.237 14.186 ( 2.063 -1.761 0.739) 2.811 15.144 ( -16.544 9.234 -23.255) 29.996 15.249 ( 11.578 6.362 -7.796) 15.340 15.698 ( 12.811 7.785 -2.892) 15.267 17.600 ( -4.796 1.455 4.378) 6.655 18.908 ( -24.854 -12.291 -6.796) 28.548 19.290 ( 4.061 -0.990 -5.355) 6.793 20.038 ( -8.281 12.138 10.066) 17.810 22.471 ( 24.862 -25.109 13.183) 37.714 23.845 ( -3.797 1.777 -1.212) 4.364 24.018 ( -3.134 0.003 -3.407) 4.629 ======================= Grid point 122 (54/260) ======================= q-point: ( 0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 16.086 4.196 10.701) 19.771 2.422 ( 17.840 6.707 11.848) 22.442 3.155 ( 7.200 -0.216 -6.496) 9.699 3.287 ( -6.983 -9.207 6.986) 13.503 3.823 ( 9.987 -4.839 5.604) 12.432 4.044 ( 8.896 -2.493 -6.004) 11.019 4.573 ( 0.598 -1.195 -16.170) 16.225 4.857 ( 3.455 8.412 3.084) 9.602 5.401 ( -1.274 -3.137 -3.357) 4.768 5.483 ( 2.173 5.944 -1.436) 6.490 5.934 ( -2.382 4.874 2.793) 6.101 6.119 ( -5.251 2.086 16.902) 17.821 6.967 ( 8.388 -8.063 -6.627) 13.390 7.299 ( -11.375 0.089 -3.729) 11.971 7.519 ( -14.457 -3.184 -0.204) 14.805 8.012 ( 2.111 -2.472 6.627) 7.381 8.534 ( -8.450 9.614 8.390) 15.304 8.994 ( 5.861 9.291 -5.883) 12.461 9.555 ( 1.996 6.016 -3.992) 7.491 10.067 ( -20.218 2.587 12.474) 23.897 10.892 ( -1.535 14.363 7.528) 16.289 11.968 ( 2.604 -6.927 0.496) 7.417 12.376 ( 9.399 -8.125 -8.586) 15.102 13.347 ( -11.907 5.819 7.190) 15.077 13.824 ( -3.826 -0.002 2.845) 4.768 14.256 ( 3.975 -1.016 -3.483) 5.382 14.671 ( -20.665 2.123 -4.687) 21.296 15.520 ( 9.994 5.845 -7.864) 13.996 16.152 ( 25.451 13.135 -15.217) 32.432 17.602 ( 4.786 -5.492 10.189) 12.525 18.345 ( -26.763 -12.272 -8.079) 30.531 19.329 ( -2.265 1.728 -5.236) 5.961 19.897 ( -4.731 9.107 10.591) 14.747 22.845 ( 12.133 -19.443 10.344) 25.145 23.737 ( -6.409 0.798 -9.583) 11.556 23.962 ( -1.809 -0.027 2.698) 3.248 ======================= Grid point 123 (55/260) ======================= q-point: ( 0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 16.984 -5.556 5.481) 18.691 2.723 ( 9.300 2.898 8.690) 13.054 3.084 ( -13.217 -12.691 5.633) 19.169 3.177 ( -2.126 -1.695 -7.782) 8.244 3.973 ( 2.540 -7.982 -1.212) 8.464 4.190 ( 6.675 -10.614 -15.115) 19.639 4.663 ( 7.495 6.287 -14.722) 17.676 4.980 ( 7.908 8.825 8.743) 14.726 5.338 ( -4.486 -6.367 0.463) 7.802 5.527 ( 0.307 2.225 -1.738) 2.840 5.902 ( -0.016 7.332 2.471) 7.738 6.025 ( -3.477 8.701 14.874) 17.579 6.967 ( -6.364 -6.332 -0.300) 8.983 7.161 ( -9.411 -2.109 0.018) 9.645 7.340 ( 5.283 3.473 -0.049) 6.323 8.009 ( -5.126 6.289 5.831) 9.991 8.425 ( -0.457 -2.158 5.814) 6.219 9.118 ( 4.173 4.672 -3.759) 7.306 9.575 ( -2.230 7.513 -5.757) 9.724 9.745 ( -7.205 9.021 13.930) 18.093 10.853 ( -2.609 17.312 8.558) 19.487 11.962 ( -2.919 -2.544 2.140) 4.424 12.562 ( 9.120 -16.642 -12.440) 22.691 13.197 ( -3.631 9.714 2.789) 10.739 13.740 ( -3.908 2.184 3.452) 5.653 14.284 ( -10.564 2.308 -3.322) 11.312 14.356 ( -0.031 -3.441 -1.961) 3.961 15.673 ( 4.924 4.259 -3.572) 7.426 16.630 ( 21.473 11.630 -14.791) 28.551 17.608 ( -14.348 -16.606 1.207) 21.979 18.054 ( 8.159 0.102 2.978) 8.686 19.161 ( -12.506 11.324 -0.430) 16.876 19.869 ( 0.640 -1.489 6.946) 7.132 23.006 ( 2.838 -13.289 6.561) 15.090 23.598 ( -5.175 -4.630 -13.066) 14.797 23.941 ( -0.800 2.388 3.531) 4.337 ======================= Grid point 124 (56/260) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 6.116 -9.718 5.074) 12.554 2.737 ( -17.136 -5.994 -2.920) 18.387 2.786 ( -2.621 -6.212 5.978) 9.010 3.193 ( 4.458 -1.535 -5.558) 7.288 3.936 ( -5.456 -11.810 -8.341) 15.453 4.281 ( 2.477 -3.306 -17.770) 18.244 4.820 ( 7.005 4.251 -10.355) 13.204 5.115 ( 1.441 3.232 -0.073) 3.539 5.271 ( -0.289 -2.814 16.253) 16.498 5.441 ( -6.314 2.723 -3.577) 7.751 5.918 ( 0.241 8.207 4.662) 9.442 6.028 ( 2.305 7.156 10.024) 12.530 6.918 ( 3.552 -1.582 1.633) 4.217 6.958 ( -6.935 -4.387 0.231) 8.209 7.560 ( 11.436 9.658 6.301) 16.241 7.853 ( -7.153 5.361 1.956) 9.150 8.438 ( -2.069 -9.381 6.444) 11.567 9.084 ( -5.700 -0.345 -6.728) 8.825 9.541 ( 2.996 9.968 4.573) 11.369 9.797 ( 7.256 13.906 5.803) 16.724 10.796 ( -3.120 19.199 9.614) 21.697 11.887 ( -3.408 -1.406 -0.412) 3.710 12.725 ( 6.350 -19.892 -9.382) 22.892 13.139 ( -3.444 11.906 -0.984) 12.433 13.688 ( -0.977 1.514 2.468) 3.055 14.100 ( -2.920 4.609 -2.389) 5.956 14.413 ( 2.630 -4.891 -1.841) 5.850 15.717 ( -0.295 1.406 -2.503) 2.885 17.038 ( 16.361 9.828 -5.321) 19.814 17.279 ( -10.222 -14.402 -7.493) 19.185 18.314 ( 5.826 3.156 10.715) 12.598 18.959 ( -0.485 14.128 1.545) 14.221 19.883 ( -0.286 -7.654 5.841) 9.632 22.942 ( -8.820 -10.465 -3.211) 14.058 23.564 ( 2.227 -5.422 -9.697) 11.331 23.920 ( -1.454 2.759 2.363) 3.913 ======================= Grid point 125 (57/260) ======================= q-point: (-0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -17.513 -6.348 11.115) 21.692 2.297 ( -22.648 -1.843 -7.501) 23.929 2.918 ( 10.971 -7.825 -1.327) 13.541 3.292 ( 4.771 -1.389 -7.371) 8.890 3.752 ( -11.555 -11.438 -7.406) 17.866 4.291 ( -0.426 5.121 -19.451) 20.118 4.835 ( -8.577 3.469 8.044) 12.260 5.050 ( -4.279 0.484 5.040) 6.629 5.247 ( 0.798 10.475 -14.383) 17.812 5.488 ( 8.357 -7.893 7.823) 13.905 5.872 ( -5.077 10.157 5.767) 12.736 6.070 ( 0.700 2.398 11.164) 11.440 6.920 ( 3.734 -6.361 -4.468) 8.623 7.132 ( 15.324 0.319 2.392) 15.513 7.618 ( -4.898 -0.781 9.230) 10.478 7.903 ( 9.736 7.761 3.729) 12.997 8.284 ( -11.420 -6.650 -0.442) 13.222 9.008 ( -0.719 -0.168 -2.647) 2.748 9.648 ( 5.838 9.258 2.941) 11.333 9.987 ( 10.406 14.464 5.929) 18.779 10.741 ( -2.385 19.986 10.669) 22.780 11.837 ( -1.546 -0.480 -3.962) 4.280 12.792 ( 0.106 -19.111 -3.144) 19.368 13.027 ( -6.588 10.700 -4.922) 13.495 13.698 ( 1.689 1.824 0.605) 2.558 14.221 ( 14.666 7.821 -4.528) 17.227 14.443 ( 0.180 -7.488 0.781) 7.531 15.676 ( -3.162 -1.857 -1.645) 4.019 17.063 ( -1.697 -3.335 -1.138) 3.912 17.368 ( 1.487 10.446 -0.751) 10.578 18.284 ( 2.123 -2.025 8.205) 8.714 19.212 ( 18.435 11.066 1.513) 21.555 19.849 ( -3.218 -10.773 8.829) 14.295 22.681 ( -15.412 -13.530 -11.911) 23.716 23.618 ( 1.568 3.319 -9.429) 10.118 23.903 ( 0.734 -1.287 2.122) 2.588 ======================= Grid point 126 (58/260) ======================= q-point: (-0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -24.432 -5.282 12.307) 27.862 1.846 ( -20.128 12.134 -8.335) 24.937 3.090 ( 3.827 -7.661 1.856) 8.762 3.390 ( 2.494 -1.055 -14.995) 15.237 3.485 ( -10.410 -0.617 2.345) 10.688 4.221 ( -7.341 9.600 -11.530) 16.703 4.581 ( -10.867 4.559 6.831) 13.622 5.016 ( 0.488 3.547 1.833) 4.022 5.294 ( 2.486 5.794 -17.840) 18.921 5.643 ( 2.653 -2.795 5.010) 6.321 5.775 ( -0.907 3.582 9.554) 10.244 6.068 ( -0.880 -0.078 11.020) 11.055 7.063 ( 8.048 -9.073 -5.766) 13.429 7.368 ( -0.216 -7.894 -0.038) 7.897 7.645 ( 14.200 -5.454 6.739) 16.638 7.915 ( -9.687 -3.538 3.959) 11.047 8.213 ( 7.060 12.363 -2.240) 14.412 9.025 ( 1.684 -1.597 2.368) 3.315 9.756 ( 4.268 11.323 -5.212) 13.175 10.216 ( 11.143 12.125 8.441) 18.505 10.716 ( -0.432 19.719 11.983) 23.079 11.801 ( -2.063 0.270 -5.562) 5.938 12.680 ( -11.117 -11.645 2.177) 16.246 12.970 ( 3.230 5.400 -10.282) 12.054 13.750 ( 3.101 0.468 -1.801) 3.616 14.401 ( -3.103 -7.018 2.802) 8.169 14.675 ( 26.847 8.790 -4.208) 28.561 15.604 ( -3.282 -2.792 -0.401) 4.328 17.096 ( -15.016 10.448 27.264) 32.832 17.156 ( 3.098 -0.859 -11.121) 11.576 18.588 ( 22.507 -2.567 0.312) 22.655 19.500 ( 3.403 2.702 -8.495) 9.542 19.832 ( 6.119 -6.966 21.574) 23.482 22.294 ( -22.068 -17.120 -18.165) 33.317 23.594 ( -2.492 8.875 -11.145) 14.463 23.966 ( 4.491 -2.717 0.894) 5.325 ======================= Grid point 127 (59/260) ======================= q-point: (-0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -17.014 10.209 10.826) 22.603 1.467 ( -15.666 18.617 1.114) 24.357 3.025 ( -14.704 5.541 3.858) 16.180 3.176 ( -6.425 -0.551 4.520) 7.875 3.571 ( 6.975 10.455 -5.222) 13.610 3.976 ( -13.527 2.388 3.619) 14.205 4.470 ( -1.587 3.866 -13.734) 14.356 5.061 ( 3.249 5.026 -1.496) 6.169 5.280 ( -3.423 6.060 -10.651) 12.724 5.629 ( 0.180 6.760 -2.729) 7.293 5.814 ( -0.915 -3.393 15.831) 16.216 6.078 ( 2.327 -8.213 8.379) 11.962 7.044 ( -11.554 -13.383 5.788) 18.604 7.375 ( 4.813 -9.611 -16.305) 19.529 7.772 ( 0.500 -3.062 1.515) 3.452 8.054 ( 18.919 -3.080 6.701) 20.305 8.357 ( 5.447 12.029 1.292) 13.268 9.063 ( 1.609 -4.455 4.589) 6.595 9.810 ( 1.230 14.529 -15.768) 21.476 10.445 ( 10.390 8.888 8.116) 15.900 10.736 ( 1.786 18.958 14.129) 23.712 11.751 ( -2.144 -0.708 -3.422) 4.100 12.410 ( -13.755 -8.041 1.586) 16.011 13.117 ( 10.586 5.307 -11.684) 16.635 13.817 ( 3.389 -3.873 -3.078) 5.997 14.312 ( -5.024 -8.567 4.945) 11.095 15.216 ( 18.472 10.908 -4.823) 21.988 15.578 ( 2.742 3.139 -2.759) 4.999 16.710 ( -12.798 -6.548 30.016) 33.281 17.467 ( 22.912 6.992 6.010) 24.698 19.048 ( 19.023 1.130 -1.058) 19.086 19.350 ( -12.087 -4.914 -11.460) 17.366 20.098 ( 13.673 -2.030 21.194) 25.304 21.714 ( -34.271 -18.427 -21.954) 44.677 23.555 ( 0.241 8.986 -12.212) 15.163 24.056 ( 3.730 -0.364 -0.938) 3.863 ======================= Grid point 128 (60/260) ======================= q-point: (-0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 2.306 26.305 13.165) 29.505 1.245 ( -4.761 23.251 11.837) 26.522 2.608 ( -21.703 28.982 15.149) 39.248 3.140 ( 0.613 -5.670 6.433) 8.597 3.683 ( 3.314 18.407 -1.711) 18.781 3.739 ( -8.554 -8.866 3.143) 12.714 4.436 ( -1.647 -0.532 -18.143) 18.226 5.070 ( -3.894 13.073 -10.540) 17.238 5.247 ( 3.536 1.994 -1.458) 4.313 5.605 ( -4.947 4.768 0.778) 6.915 5.772 ( -0.836 -0.646 12.797) 12.841 6.150 ( 3.229 -12.741 7.541) 15.154 6.784 ( -10.964 -3.966 4.395) 12.460 7.439 ( 2.388 -8.288 -10.105) 13.286 7.919 ( 11.581 -5.650 -2.017) 13.043 8.354 ( 6.931 2.418 11.587) 13.716 8.431 ( 2.546 3.845 -6.311) 7.816 9.098 ( 1.991 -8.395 7.639) 11.523 9.784 ( -3.159 18.320 -25.696) 31.716 10.636 ( 7.375 6.213 1.013) 9.697 10.811 ( 5.184 13.826 18.879) 23.968 11.729 ( 0.190 -3.320 1.578) 3.681 12.149 ( -10.882 -8.489 1.548) 13.888 13.374 ( 14.339 8.155 -13.965) 21.613 13.891 ( 4.265 -9.597 -2.745) 10.855 14.220 ( -3.661 -7.991 5.554) 10.398 15.294 ( -5.639 4.693 2.692) 7.815 15.535 ( -11.803 4.459 2.358) 12.836 16.797 ( 14.080 -17.474 9.563) 24.393 18.175 ( 42.254 9.463 21.430) 48.313 18.978 ( -14.619 -5.592 -14.246) 21.164 19.424 ( 11.768 5.774 -6.825) 14.778 20.323 ( 6.178 -3.841 16.922) 18.419 20.866 ( -42.974 -10.052 -12.432) 45.851 23.620 ( 6.689 7.837 -11.139) 15.173 24.109 ( 1.409 1.234 -2.551) 3.165 ======================= Grid point 129 (61/260) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 2.931 19.436 11.903) 22.979 1.789 ( 6.983 23.400 10.001) 26.388 2.865 ( 1.300 13.756 -3.715) 14.308 3.038 ( 2.220 -8.283 11.367) 14.239 3.509 ( -10.216 7.928 14.409) 19.360 4.163 ( 1.522 25.250 -0.590) 25.303 4.373 ( 1.406 -2.113 -12.205) 12.467 5.061 ( -5.855 -7.434 -4.569) 10.508 5.315 ( 0.968 -0.144 2.135) 2.348 5.595 ( -5.082 -2.372 3.543) 6.633 5.734 ( 4.904 -0.871 -0.143) 4.983 6.056 ( 3.981 -1.381 7.128) 8.280 6.734 ( -1.947 4.540 0.405) 4.957 7.340 ( 5.358 -8.012 -3.799) 10.360 8.137 ( 10.976 0.503 -0.733) 11.012 8.354 ( -2.768 -3.999 -10.861) 11.900 8.457 ( -7.210 5.118 10.929) 14.058 8.962 ( 3.402 -9.918 13.684) 17.239 10.086 ( -3.303 21.730 -23.681) 32.309 10.812 ( 3.085 0.275 -4.842) 5.748 11.034 ( -5.760 8.386 9.072) 13.631 11.581 ( -5.589 -9.361 -1.048) 10.953 11.900 ( 4.075 -2.743 10.660) 11.738 13.537 ( 1.943 -15.906 -1.479) 16.092 13.925 ( 7.963 2.336 -9.619) 12.704 14.094 ( 7.966 -3.602 0.001) 8.743 15.022 ( -23.099 2.929 19.265) 30.221 15.409 ( 0.351 2.053 0.218) 2.094 16.641 ( -6.702 -8.237 -22.068) 24.490 18.235 ( -19.831 1.491 -9.099) 21.869 19.315 ( 10.667 4.894 -3.280) 12.186 19.536 ( -7.937 0.033 -13.213) 15.413 20.329 ( 0.123 -0.286 14.400) 14.403 20.496 ( 23.262 -4.680 20.127) 31.115 23.807 ( 4.829 -0.217 -1.387) 5.029 24.152 ( -0.568 1.758 -4.366) 4.741 ======================= Grid point 130 (62/260) ======================= q-point: ( 0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 1.739 17.874 15.716) 23.865 1.967 ( 10.820 19.306 11.883) 25.120 2.924 ( 4.431 18.539 -3.009) 19.297 3.137 ( 6.242 -9.923 6.393) 13.353 3.391 ( -1.723 -2.422 9.433) 9.890 4.154 ( -1.108 23.812 2.080) 23.928 4.471 ( 5.872 -3.616 -14.573) 16.122 4.913 ( -6.578 -7.895 -2.033) 10.475 5.341 ( 1.514 -1.333 -0.043) 2.017 5.531 ( -1.732 -5.594 1.288) 5.996 5.852 ( 6.337 3.056 1.472) 7.188 6.137 ( 3.358 0.081 8.333) 8.985 6.699 ( -1.123 3.312 -1.367) 3.754 7.481 ( 7.217 -4.555 -1.131) 8.609 8.002 ( -14.356 -3.159 -8.198) 16.831 8.221 ( -14.489 -0.456 14.245) 20.323 8.573 ( 14.758 4.157 -0.898) 15.359 9.032 ( 1.439 -6.392 13.259) 14.789 9.950 ( -7.705 24.445 -25.423) 36.101 10.755 ( -10.501 -1.768 4.316) 11.490 10.972 ( 1.199 1.915 3.793) 4.415 11.527 ( 1.436 -13.705 -6.773) 15.354 12.052 ( 8.816 4.101 9.816) 13.817 13.593 ( 3.018 -16.713 1.332) 17.035 13.974 ( -0.928 0.273 -0.695) 1.191 14.184 ( -6.660 -1.494 6.724) 9.582 14.904 ( 16.743 5.366 -5.676) 18.476 15.459 ( 4.045 3.938 0.436) 5.662 16.185 ( -31.724 3.113 -25.700) 40.946 17.869 ( -14.123 4.001 -1.344) 14.740 19.183 ( -16.526 -2.539 -9.497) 19.229 19.319 ( -7.811 0.038 -3.885) 8.723 20.324 ( -2.167 5.573 11.802) 13.230 21.330 ( 42.518 -15.082 18.307) 48.687 23.872 ( 1.416 -0.870 2.156) 2.723 24.107 ( -3.627 1.073 -5.469) 6.649 ======================= Grid point 131 (63/260) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 1.643 19.396 15.980) 25.184 2.240 ( 14.144 11.936 12.981) 22.606 3.029 ( 4.831 3.387 -0.652) 5.936 3.240 ( 2.058 -3.792 -2.730) 5.105 3.431 ( 5.169 -10.018 3.205) 11.719 4.152 ( -0.265 17.463 3.044) 17.728 4.492 ( -1.210 -7.926 -15.610) 17.549 4.888 ( 4.247 1.594 3.809) 5.923 5.376 ( 1.308 -0.146 -4.522) 4.710 5.505 ( -0.890 -5.792 1.475) 6.042 5.973 ( 4.649 3.140 0.928) 5.686 6.191 ( 1.120 2.042 9.987) 10.255 6.716 ( 3.786 -0.514 -2.721) 4.690 7.543 ( -5.827 1.083 -2.015) 6.260 7.706 ( -11.760 -5.142 -6.840) 14.544 7.954 ( -8.126 -3.795 15.322) 17.754 8.801 ( 4.365 8.309 8.774) 12.849 9.029 ( -0.023 -1.286 5.970) 6.107 9.808 ( -3.866 20.078 -20.447) 28.916 10.455 ( -17.127 -2.030 8.596) 19.271 11.022 ( 2.359 2.379 2.595) 4.238 11.621 ( 7.227 -14.279 -11.415) 19.658 12.235 ( 7.652 5.912 6.088) 11.427 13.588 ( -6.566 -7.519 5.582) 11.438 13.854 ( -5.765 -0.176 4.566) 7.356 14.123 ( 2.022 -4.711 4.197) 6.625 15.358 ( -7.248 7.051 -3.454) 10.685 15.383 ( 0.812 11.400 -28.100) 30.336 15.814 ( 17.044 3.966 -5.659) 18.392 17.618 ( -10.541 0.539 5.203) 11.768 18.700 ( -26.815 -9.100 -12.983) 31.151 19.280 ( 1.831 -0.114 -0.976) 2.078 20.239 ( -6.530 8.582 11.563) 15.812 22.063 ( 27.327 -16.923 13.386) 34.819 23.874 ( -1.709 1.414 -0.588) 2.294 24.003 ( -5.341 -1.409 -3.278) 6.424 ======================= Grid point 132 (64/260) ======================= q-point: ( 0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 5.432 13.364 12.151) 18.862 2.525 ( 11.840 3.481 12.548) 17.600 3.046 ( -4.703 -9.890 7.793) 13.441 3.237 ( -0.523 3.429 -16.020) 16.391 3.591 ( 9.400 -13.733 1.301) 16.692 4.066 ( -6.607 -2.035 -6.731) 9.649 4.587 ( 10.269 4.743 -8.013) 13.862 5.006 ( 5.796 6.587 5.961) 10.607 5.342 ( -4.493 -4.049 -3.797) 7.141 5.525 ( 2.744 -0.427 -2.210) 3.549 6.029 ( 0.838 5.403 0.548) 5.495 6.190 ( -1.343 3.967 11.352) 12.100 6.860 ( 8.683 -2.692 -2.460) 9.418 7.302 ( -10.986 -0.039 -3.770) 11.615 7.442 ( -13.785 -4.632 4.169) 15.128 7.974 ( 5.675 -1.270 9.899) 11.481 8.691 ( -12.211 6.060 8.953) 16.309 9.117 ( 5.818 4.403 2.596) 7.745 9.778 ( 0.807 15.009 -13.030) 19.892 10.107 ( -15.398 1.698 8.790) 17.812 11.053 ( 0.430 3.002 2.699) 4.060 11.790 ( 9.170 -12.443 -11.607) 19.330 12.339 ( 1.709 4.818 1.713) 5.392 13.385 ( -9.400 0.621 5.505) 10.911 13.811 ( -1.038 -2.432 4.821) 5.498 14.191 ( 3.588 -5.730 0.886) 6.819 14.834 ( -22.300 13.273 -8.266) 27.236 15.609 ( 8.186 3.019 -4.356) 9.752 16.403 ( 29.479 12.396 -18.889) 37.141 17.464 ( -4.107 -8.329 7.497) 11.935 18.161 ( -21.462 -6.896 -8.880) 24.228 19.331 ( 2.060 -0.832 -2.830) 3.597 20.069 ( -10.150 7.983 12.520) 17.986 22.506 ( 16.228 -14.943 10.547) 24.452 23.731 ( -11.012 -1.005 -9.750) 14.742 23.967 ( 1.224 0.421 2.729) 3.021 ======================= Grid point 133 (65/260) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 7.215 1.702 7.979) 10.891 2.663 ( -1.959 -11.866 12.722) 17.507 2.917 ( -4.744 -0.776 1.026) 4.915 3.199 ( -1.968 3.882 -13.504) 14.188 3.761 ( 4.168 -12.932 0.551) 13.598 3.982 ( 1.400 -10.624 -12.585) 16.529 4.798 ( 8.691 7.240 -12.577) 16.915 5.127 ( 5.854 5.674 10.890) 13.603 5.226 ( -5.703 -5.086 -2.260) 7.969 5.575 ( 1.291 2.733 -3.902) 4.936 6.035 ( 0.502 6.222 2.714) 6.807 6.159 ( -1.901 4.619 9.943) 11.127 6.907 ( -3.721 0.360 0.735) 3.810 7.130 ( -11.083 -1.528 2.950) 11.570 7.373 ( 13.099 -0.106 -0.450) 13.107 8.081 ( 1.534 2.085 10.644) 10.954 8.409 ( -12.997 -0.092 6.377) 14.477 9.191 ( -0.064 3.357 -0.896) 3.475 9.733 ( -5.531 6.544 0.290) 8.574 9.959 ( 2.687 13.479 3.225) 14.117 11.042 ( -1.514 2.747 2.582) 4.063 11.964 ( 7.112 -3.606 -7.683) 11.073 12.323 ( -1.570 -1.808 -2.951) 3.801 13.255 ( -3.995 -2.533 0.992) 4.833 13.780 ( -2.110 1.365 5.757) 6.282 14.255 ( 2.547 -6.515 -0.649) 7.025 14.467 ( -12.689 14.985 -2.532) 19.798 15.732 ( 3.207 1.650 -2.922) 4.642 16.844 ( 15.400 9.893 -14.093) 23.100 17.319 ( -13.229 -12.857 -3.644) 18.804 18.067 ( 14.598 1.163 1.900) 14.767 19.316 ( -4.315 4.661 -2.832) 6.954 19.860 ( -9.501 0.811 12.607) 15.806 22.769 ( 8.262 -10.833 8.181) 15.891 23.485 ( -10.460 -5.972 -11.570) 16.701 24.001 ( 1.205 3.033 0.950) 3.399 ======================= Grid point 134 (66/260) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 3.225 -9.221 8.076) 12.675 2.497 ( -10.038 -12.504 5.365) 16.908 2.825 ( -5.651 4.784 -4.929) 8.895 3.201 ( 2.753 2.158 -9.925) 10.523 3.719 ( -5.868 -9.851 -5.325) 12.642 4.110 ( 8.400 -13.347 -9.230) 18.272 4.903 ( 1.870 4.679 -10.547) 11.688 5.133 ( -2.789 -1.646 -2.832) 4.302 5.256 ( 5.638 1.688 13.029) 14.297 5.547 ( -3.828 6.174 -5.057) 8.851 6.059 ( 1.035 6.196 4.203) 7.558 6.131 ( -0.976 3.413 8.691) 9.388 6.886 ( 0.298 0.039 1.646) 1.673 6.943 ( -2.699 0.363 3.099) 4.126 7.725 ( 17.170 6.933 2.166) 18.643 7.908 ( -15.538 1.311 6.698) 16.971 8.283 ( -2.262 -6.555 8.305) 10.819 9.109 ( -5.761 2.221 -6.713) 9.120 9.700 ( 2.569 6.409 8.134) 10.669 10.092 ( 8.295 15.899 3.356) 18.244 11.004 ( -2.025 2.674 2.755) 4.341 12.030 ( -0.285 14.445 -2.567) 14.674 12.347 ( 4.110 -17.367 -6.224) 18.901 13.180 ( -3.813 -6.936 -4.092) 8.910 13.740 ( -1.839 3.988 5.429) 6.983 14.297 ( 1.405 -6.687 -1.633) 7.026 14.319 ( -0.994 15.961 0.199) 15.993 15.724 ( -3.355 -0.662 -5.236) 6.254 17.030 ( -6.255 -10.968 -4.813) 13.512 17.210 ( 16.834 7.444 -4.206) 18.881 18.411 ( 8.571 6.561 4.986) 11.889 19.197 ( -1.703 10.322 -0.904) 10.500 19.716 ( -5.351 -9.215 9.362) 14.185 22.767 ( -9.695 -7.503 -1.050) 12.304 23.412 ( 5.288 -8.519 -6.449) 11.922 23.998 ( -1.684 4.195 -0.994) 4.628 ======================= Grid point 135 (67/260) ======================= q-point: (-0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -12.101 -4.663 10.288) 16.553 2.333 ( -8.676 0.825 -4.777) 9.939 2.776 ( 3.671 -4.701 -2.142) 6.338 3.256 ( 1.650 -4.750 -15.512) 16.307 3.583 ( -5.294 -2.920 -1.554) 6.243 4.265 ( 6.806 -9.054 -9.869) 15.024 4.854 ( -6.853 2.585 6.792) 9.989 5.102 ( -0.906 2.467 -4.886) 5.548 5.363 ( 4.408 -4.008 11.085) 12.584 5.456 ( -3.100 9.190 -11.880) 15.336 6.045 ( -2.959 6.868 3.281) 8.166 6.125 ( -0.736 3.363 9.821) 10.407 6.838 ( 0.795 -2.161 -3.691) 4.350 7.139 ( 15.273 0.198 5.317) 16.173 7.543 ( -16.463 -5.551 6.713) 18.626 8.023 ( 3.630 4.952 9.403) 11.230 8.238 ( 2.616 0.270 -2.694) 3.765 9.023 ( -1.899 1.502 -4.030) 4.702 9.803 ( 6.187 6.493 6.067) 10.828 10.275 ( 8.837 14.672 5.409) 17.962 10.969 ( -1.289 3.970 5.132) 6.614 11.998 ( -2.343 16.124 -4.143) 16.812 12.426 ( 2.592 -17.733 -1.990) 18.031 13.091 ( -4.032 -4.269 -8.111) 10.013 13.718 ( -0.404 1.476 3.242) 3.584 14.284 ( -1.593 -8.530 0.068) 8.677 14.468 ( 14.379 15.600 -1.541) 21.272 15.625 ( -5.147 -3.339 -5.830) 8.463 16.976 ( 3.061 -4.259 -5.313) 7.465 17.600 ( 12.269 11.312 4.928) 17.401 18.290 ( -9.539 3.109 10.888) 14.805 19.386 ( 13.910 5.536 -6.737) 16.417 19.625 ( -2.780 -10.727 11.585) 16.031 22.456 ( -18.241 -9.537 -9.295) 22.585 23.602 ( 10.631 -3.426 -3.656) 11.753 23.932 ( -4.120 3.140 -2.095) 5.588 ======================= Grid point 136 (68/260) ======================= q-point: (-0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -11.856 9.437 8.292) 17.274 2.093 ( -12.984 12.671 -4.625) 18.722 2.904 ( 5.674 -11.224 2.586) 12.840 3.198 ( -5.896 -14.842 -16.242) 22.779 3.593 ( 6.414 10.038 -0.964) 11.951 4.377 ( 3.889 -0.469 -12.754) 13.342 4.635 ( -13.703 6.040 18.782) 24.022 5.071 ( -1.589 2.590 0.433) 3.069 5.418 ( 0.118 4.348 -15.669) 16.262 5.470 ( 4.792 -8.123 8.248) 12.529 5.950 ( -5.375 9.014 2.275) 10.739 6.089 ( -3.482 2.015 8.410) 9.323 6.930 ( 6.392 -4.805 -6.987) 10.620 7.206 ( -10.406 -7.793 3.138) 13.374 7.564 ( 20.065 -2.976 6.749) 21.378 7.883 ( -10.714 -0.770 4.871) 11.794 8.419 ( 9.182 8.316 -2.226) 12.586 9.008 ( -0.184 0.061 1.176) 1.192 9.937 ( 6.269 7.605 0.114) 9.856 10.454 ( 8.187 11.499 2.228) 14.290 10.965 ( 0.825 6.773 12.167) 13.950 11.921 ( -4.981 10.395 -5.685) 12.853 12.411 ( -5.240 -13.103 1.865) 14.234 13.062 ( 3.325 2.346 -11.682) 12.371 13.714 ( -0.474 -3.329 0.697) 3.435 14.228 ( -3.787 -9.677 1.849) 10.555 14.901 ( 26.526 12.820 -3.825) 29.709 15.538 ( -2.239 -4.234 -4.838) 6.808 17.157 ( 14.104 1.435 -4.850) 14.984 17.328 ( -30.418 12.424 20.544) 38.751 18.548 ( 26.719 -1.578 5.861) 27.399 19.400 ( -8.036 -11.416 -6.974) 15.606 19.811 ( 14.692 3.466 11.549) 19.007 22.025 ( -23.389 -10.691 -13.441) 29.017 23.729 ( -0.972 5.429 -8.376) 10.028 23.912 ( 5.260 -2.771 0.379) 5.957 ======================= Grid point 137 (69/260) ======================= q-point: (-0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -2.919 22.317 8.778) 24.158 1.839 ( -10.670 19.037 -0.147) 21.824 2.947 ( -1.858 -8.362 0.344) 8.573 3.079 ( -3.814 -12.458 -4.678) 13.843 3.765 ( 7.803 11.984 -0.990) 14.335 4.265 ( -14.254 22.807 9.906) 28.661 4.480 ( -0.985 -3.660 -7.580) 8.474 5.064 ( 1.254 -2.858 6.381) 7.103 5.399 ( -1.968 5.371 -9.833) 11.376 5.565 ( 3.754 -12.644 4.636) 13.981 5.872 ( -2.261 7.059 0.335) 7.419 5.982 ( -6.184 -1.015 6.802) 9.249 6.901 ( -7.194 -2.502 5.893) 9.630 7.209 ( 7.679 -7.631 -17.166) 20.295 7.706 ( -3.613 -3.565 2.721) 5.759 8.002 ( 19.962 -2.349 8.296) 21.744 8.547 ( 2.974 7.329 -0.273) 7.914 8.993 ( -1.700 -2.389 4.541) 5.405 10.048 ( 4.413 10.643 -8.257) 14.175 10.606 ( 6.436 6.124 -5.224) 10.305 11.024 ( 3.855 12.140 21.097) 24.644 11.798 ( -6.148 4.606 -5.341) 9.356 12.213 ( -12.736 -10.794 2.524) 16.884 13.227 ( 11.976 5.536 -12.645) 18.275 13.693 ( -1.297 -8.307 -1.315) 8.510 14.140 ( -4.395 -8.628 3.697) 10.365 15.340 ( 6.501 2.978 -2.814) 7.684 15.672 ( 20.374 4.822 -10.322) 23.343 16.639 ( -31.230 -0.757 24.515) 39.710 17.604 ( 28.480 6.769 7.533) 30.227 19.044 ( 8.770 -1.738 -0.678) 8.966 19.247 ( 3.597 -4.990 -8.866) 10.791 20.082 ( 10.482 0.289 13.611) 17.182 21.455 ( -31.487 -9.100 -13.781) 35.555 23.675 ( -1.290 4.034 -8.537) 9.530 24.049 ( 5.916 -0.383 -1.376) 6.086 ======================= Grid point 138 (70/260) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.377 26.425 10.560) 28.961 1.681 ( -4.102 21.962 5.047) 22.905 2.882 ( -2.708 -2.593 -4.023) 5.499 3.030 ( -1.388 -6.512 7.287) 9.871 3.753 ( -11.071 13.015 14.859) 22.644 4.106 ( 1.449 24.442 -0.714) 24.496 4.424 ( -3.839 -0.253 -12.590) 13.165 5.110 ( 1.368 -7.555 2.864) 8.194 5.332 ( -3.114 5.151 -1.591) 6.226 5.643 ( 4.029 -9.304 -1.612) 10.267 5.744 ( -8.897 2.302 5.740) 10.835 5.971 ( 3.596 -1.884 4.637) 6.163 6.787 ( -3.741 2.569 3.029) 5.456 7.284 ( 1.124 -7.512 -11.202) 13.534 7.824 ( 13.748 -4.145 -2.398) 14.558 8.341 ( 10.364 -1.536 4.468) 11.390 8.540 ( -3.139 5.262 2.225) 6.519 8.946 ( -2.278 -6.970 8.417) 11.163 10.107 ( 1.673 15.493 -17.090) 23.128 10.722 ( 5.283 1.465 -7.140) 9.002 11.095 ( 0.479 16.314 17.938) 24.252 11.687 ( -4.279 -0.832 -1.869) 4.743 11.957 ( -10.054 -11.135 5.041) 15.827 13.465 ( 8.305 -1.744 -8.691) 12.147 13.710 ( 6.116 -5.390 -6.832) 10.637 14.067 ( -2.418 -7.330 5.013) 9.204 15.352 ( -2.335 1.646 0.732) 2.950 15.651 ( -25.417 7.104 10.904) 28.555 16.504 ( 15.166 -13.014 -4.781) 20.548 18.308 ( 29.612 4.419 17.321) 34.590 18.908 ( -1.292 -1.841 -18.341) 18.478 19.527 ( 10.042 4.653 -8.042) 13.681 20.252 ( 5.520 -3.250 15.777) 17.028 20.749 ( -33.101 -3.346 -3.565) 33.460 23.703 ( 4.190 1.995 -6.088) 7.655 24.135 ( 2.508 1.227 -2.910) 4.033 ======================= Grid point 139 (71/260) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.229 10.646 8.531) 13.644 2.145 ( 3.879 11.525 9.046) 15.156 2.831 ( 6.516 -4.342 -8.112) 11.274 2.896 ( 2.974 -7.963 6.832) 10.906 3.857 ( -13.970 17.700 18.793) 29.354 4.320 ( 1.338 -3.348 -11.815) 12.353 4.685 ( 0.742 28.169 -0.121) 28.179 4.856 ( -6.196 -9.148 4.173) 11.811 5.215 ( -1.267 -23.871 0.230) 23.906 5.341 ( -1.614 -1.808 2.424) 3.428 5.907 ( 3.471 9.990 -0.259) 10.579 6.050 ( 4.768 -2.195 1.396) 5.431 6.790 ( -2.314 1.307 -0.002) 2.657 7.219 ( 6.263 -3.735 -2.512) 7.713 8.171 ( 16.453 2.567 -2.776) 16.882 8.275 ( -5.926 -3.708 -8.701) 11.161 8.554 ( -12.409 4.272 11.450) 17.416 8.799 ( 7.077 -6.124 14.590) 17.334 10.456 ( 2.238 15.867 -14.524) 21.626 10.737 ( 2.549 -7.817 -11.982) 14.532 11.213 ( -15.864 8.609 -2.418) 18.211 11.417 ( -10.652 -7.270 0.629) 12.911 11.879 ( 12.506 0.072 16.398) 20.623 13.266 ( -0.269 -9.103 -0.102) 9.107 13.935 ( 0.676 -0.768 3.552) 3.696 14.079 ( 16.195 0.877 -12.588) 20.531 15.070 ( -23.906 1.518 20.427) 31.482 15.438 ( 1.685 0.852 -0.056) 1.889 16.528 ( -1.533 -3.202 -24.869) 25.121 18.251 ( -15.972 0.373 -6.210) 17.141 19.382 ( 12.210 1.928 -4.331) 13.098 19.531 ( -12.633 -0.314 -17.338) 21.455 20.332 ( 5.075 0.390 16.073) 16.860 20.435 ( 14.731 -1.729 18.425) 23.653 23.800 ( 3.791 -0.252 -0.296) 3.811 24.175 ( -0.641 0.581 -3.819) 3.916 ======================= Grid point 140 (72/260) ======================= q-point: ( 0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 2.174 8.658 10.756) 13.978 2.276 ( 7.893 10.596 10.857) 17.101 2.949 ( 2.715 -5.664 13.813) 15.174 2.988 ( 7.160 -5.591 -15.952) 18.358 3.592 ( -11.132 13.583 11.785) 21.149 4.356 ( 1.392 -5.491 -14.665) 15.721 4.581 ( -10.064 10.819 -1.726) 14.877 4.821 ( 4.532 8.387 7.002) 11.828 5.224 ( 1.727 -21.724 3.286) 22.038 5.341 ( 1.652 -0.003 -1.173) 2.026 5.990 ( 4.079 7.626 0.020) 8.648 6.148 ( 4.285 -0.927 3.267) 5.468 6.737 ( -2.436 0.779 -1.250) 2.847 7.409 ( 10.746 -2.287 0.873) 11.022 7.963 ( -15.701 -0.962 -9.580) 18.418 8.215 ( -17.864 -0.157 17.064) 24.705 8.633 ( 18.780 1.750 -0.916) 18.883 8.940 ( 4.144 -2.707 14.559) 15.377 10.389 ( -8.394 20.075 -19.818) 29.432 10.670 ( -10.394 -8.687 -7.665) 15.564 11.004 ( -1.649 1.395 1.304) 2.523 11.300 ( -0.166 -8.135 -4.145) 9.131 12.138 ( 11.388 3.459 11.671) 16.669 13.332 ( 6.161 -8.373 1.543) 10.509 13.964 ( 1.763 -0.671 4.387) 4.776 14.173 ( -10.521 -0.025 2.658) 10.852 14.981 ( 18.469 2.224 -4.882) 19.232 15.514 ( 5.825 1.576 1.431) 6.201 16.212 ( -25.462 0.401 -27.206) 37.264 17.923 ( -14.669 1.479 0.193) 14.744 19.125 ( -23.726 -2.106 -19.288) 30.649 19.340 ( -6.051 0.997 2.054) 6.467 20.404 ( 0.397 2.384 13.408) 13.624 21.138 ( 39.034 -5.081 16.618) 42.728 23.859 ( 2.007 -0.361 2.552) 3.267 24.120 ( -4.636 0.281 -5.053) 6.863 ======================= Grid point 141 (73/260) ======================= q-point: ( 0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 3.252 9.926 13.202) 16.834 2.443 ( 6.466 7.389 11.660) 15.244 2.964 ( -1.549 -4.535 9.811) 10.919 3.134 ( 7.293 -6.965 -14.879) 17.974 3.436 ( -4.234 5.843 2.301) 7.574 4.225 ( -12.522 -6.359 -8.062) 16.194 4.528 ( 6.090 8.016 -8.237) 13.008 4.969 ( 7.893 8.614 8.107) 14.221 5.256 ( 0.159 -14.520 8.500) 16.826 5.407 ( 4.901 0.112 -7.351) 8.836 6.069 ( 3.501 4.640 -0.579) 5.841 6.219 ( 2.212 0.159 4.008) 4.581 6.717 ( 1.679 0.198 -1.068) 2.000 7.563 ( -2.414 0.968 0.205) 2.609 7.627 ( -14.207 -2.690 -6.827) 15.990 7.900 ( -8.248 -1.559 17.821) 19.699 8.923 ( 1.231 4.051 10.536) 11.355 8.994 ( 7.630 -1.798 6.399) 10.119 10.174 ( -8.923 15.887 -18.650) 26.074 10.391 ( -14.785 -5.560 0.314) 15.799 11.036 ( 2.376 -0.057 1.604) 2.868 11.384 ( 7.458 -8.288 -12.137) 16.481 12.345 ( 7.932 3.961 6.815) 11.183 13.471 ( 4.950 -3.718 4.416) 7.604 13.862 ( -12.763 0.944 6.724) 14.457 14.031 ( 1.862 -3.719 4.929) 6.449 15.434 ( 13.784 2.016 -7.208) 15.685 15.586 ( -24.772 6.893 -21.644) 33.609 15.847 ( 27.574 -0.100 -9.052) 29.022 17.625 ( -14.880 0.156 6.151) 16.102 18.576 ( -27.178 -3.497 -17.171) 32.337 19.281 ( 0.083 0.123 1.720) 1.727 20.354 ( -5.760 3.160 12.594) 14.205 21.840 ( 27.447 -5.991 12.559) 30.773 23.899 ( 1.525 0.967 1.933) 2.645 23.975 ( -8.654 -1.146 -5.646) 10.396 ======================= Grid point 142 (74/260) ======================= q-point: ( 0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 1.324 14.072 12.114) 18.615 2.489 ( -3.492 -7.728 12.972) 15.498 2.940 ( 0.401 -0.137 3.572) 3.597 3.268 ( 5.427 -3.050 -18.359) 19.386 3.416 ( 2.587 -1.606 1.625) 3.452 3.971 ( -10.677 -4.810 -5.159) 12.797 4.717 ( 11.171 5.846 -10.435) 16.366 5.108 ( 4.419 4.763 8.274) 10.520 5.224 ( -2.932 -7.322 4.436) 9.049 5.521 ( 5.849 0.189 -7.372) 9.412 6.118 ( 0.866 2.990 1.472) 3.444 6.237 ( -0.614 0.943 4.426) 4.567 6.850 ( 10.992 0.602 -0.831) 11.040 7.300 ( -11.678 -0.052 -3.658) 12.238 7.363 ( -14.421 -2.774 8.268) 16.853 7.961 ( 7.353 -0.242 10.967) 13.206 8.762 ( -13.501 1.642 9.447) 16.560 9.180 ( 6.547 1.901 4.627) 8.239 10.011 ( -9.944 6.325 -2.387) 12.024 10.147 ( -4.170 2.761 -6.815) 8.453 11.064 ( -0.026 -0.426 1.253) 1.324 11.566 ( 10.455 -7.991 -14.216) 19.372 12.460 ( 2.813 4.804 2.920) 6.286 13.404 ( -11.031 0.921 4.251) 11.857 13.759 ( 2.121 -1.862 6.446) 7.037 14.080 ( 2.406 -4.145 3.742) 6.081 15.062 ( -20.739 7.737 -10.851) 24.652 15.634 ( 7.094 0.042 -1.010) 7.166 16.592 ( 35.529 6.070 -22.970) 42.741 17.322 ( -13.792 -5.014 5.690) 15.740 18.077 ( -16.927 -2.095 -8.483) 19.049 19.315 ( 2.448 -0.531 0.116) 2.507 20.178 ( -11.767 3.052 13.059) 17.841 22.304 ( 17.961 -5.591 10.140) 21.370 23.713 ( -14.191 -0.616 -8.589) 16.599 23.974 ( 3.577 0.227 1.486) 3.880 ======================= Grid point 143 (75/260) ======================= q-point: ( 0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -5.765 8.597 10.340) 14.630 2.384 ( -4.473 -14.000 10.260) 17.925 2.968 ( 0.706 3.149 -1.747) 3.670 3.295 ( -1.247 4.476 -20.162) 20.690 3.547 ( 7.991 -7.337 4.124) 11.606 3.803 ( -4.745 -6.614 -4.965) 9.535 4.924 ( 8.045 5.184 -13.352) 16.428 5.109 ( -3.210 -4.299 1.821) 5.666 5.224 ( 2.822 2.030 6.076) 7.000 5.617 ( 3.115 1.267 -4.143) 5.336 6.126 ( 0.631 2.874 4.424) 5.313 6.202 ( -2.720 0.413 4.086) 4.926 6.954 ( -3.550 3.029 0.934) 4.759 7.097 ( -10.734 -1.661 6.837) 12.835 7.354 ( 18.533 -1.102 -0.383) 18.570 8.106 ( 5.202 0.635 12.404) 13.465 8.410 ( -20.143 0.048 6.885) 21.287 9.241 ( -1.278 1.516 -1.271) 2.356 9.808 ( -6.570 1.750 7.089) 9.822 10.191 ( 6.087 8.074 -4.832) 11.207 11.038 ( -2.164 -1.063 0.456) 2.454 11.792 ( 11.740 -7.820 -12.549) 18.880 12.469 ( -1.655 8.741 0.841) 8.936 13.160 ( -11.227 -5.099 0.427) 12.338 13.816 ( 1.883 2.170 6.392) 7.008 14.132 ( 2.375 -4.924 2.065) 5.844 14.725 ( -11.626 8.622 -3.516) 14.895 15.741 ( 2.335 -0.263 -2.656) 3.546 16.985 ( -1.246 4.511 -5.053) 6.887 17.137 ( 0.489 -5.692 -14.079) 15.194 18.089 ( 19.238 0.819 -0.930) 19.278 19.356 ( 0.977 0.421 -1.167) 1.579 19.886 ( -16.716 1.147 14.318) 22.040 22.619 ( 11.633 -4.248 8.609) 15.083 23.400 ( -13.971 -2.416 -10.275) 17.511 24.042 ( 2.465 1.175 -0.577) 2.791 ======================= Grid point 144 (76/260) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -2.650 -3.908 9.373) 10.495 2.319 ( -3.053 -5.173 5.742) 8.310 2.930 ( -4.225 4.846 -6.378) 9.056 3.224 ( -4.711 -1.007 -18.147) 18.776 3.638 ( 0.576 3.666 0.702) 3.777 3.832 ( 7.566 -14.092 -2.190) 16.145 4.992 ( -0.638 4.315 -6.753) 8.039 5.079 ( 0.666 -3.394 -8.390) 9.075 5.296 ( 3.090 1.468 9.131) 9.751 5.633 ( -1.273 2.433 -3.753) 4.650 6.137 ( -1.368 1.634 1.349) 2.522 6.173 ( 1.342 1.359 8.806) 9.011 6.908 ( -4.585 1.335 3.734) 6.061 6.946 ( 1.516 -0.131 3.552) 3.864 7.804 ( 20.490 1.430 0.200) 20.541 7.936 ( -21.298 1.508 6.309) 22.264 8.193 ( -0.462 -2.710 12.822) 13.114 9.145 ( -5.933 1.167 -7.441) 9.589 9.782 ( 2.740 2.136 10.585) 11.141 10.343 ( 7.859 8.171 0.951) 11.377 10.995 ( -1.604 -1.275 0.355) 2.080 12.021 ( 9.903 -8.397 -7.512) 15.000 12.414 ( -3.116 14.923 -0.739) 15.263 12.970 ( -6.508 -11.707 -4.929) 14.272 13.827 ( -1.164 4.069 5.348) 6.819 14.165 ( 0.077 -5.406 0.278) 5.413 14.591 ( -0.549 8.882 0.218) 8.902 15.703 ( -5.269 -1.021 -7.676) 9.366 16.880 ( -3.000 -4.218 -3.024) 5.995 17.307 ( 15.805 2.560 -2.366) 16.185 18.528 ( 13.613 4.220 -1.866) 14.374 19.340 ( -1.742 4.220 -1.686) 4.867 19.564 ( -11.699 -5.328 13.481) 18.628 22.667 ( -10.036 -2.758 0.197) 10.410 23.288 ( 6.689 -3.635 -4.912) 9.060 24.056 ( -1.352 1.636 -2.395) 3.200 ======================= Grid point 145 (77/260) ======================= q-point: (-0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 2.564 2.350 6.446) 7.324 2.260 ( -2.123 -6.126 3.838) 7.534 2.813 ( -5.755 6.836 -7.378) 11.588 3.085 ( -7.747 -10.225 -16.870) 21.194 3.679 ( 4.465 10.102 -1.438) 11.138 4.012 ( 8.911 -14.168 -0.447) 16.743 4.948 ( -3.335 5.662 1.029) 6.651 5.086 ( 0.077 -3.611 -7.080) 7.948 5.330 ( -0.593 -0.041 9.192) 9.211 5.582 ( -2.712 3.490 -8.533) 9.609 6.115 ( -0.808 1.249 -0.340) 1.527 6.192 ( -1.102 2.529 10.969) 11.311 6.823 ( -1.477 -0.052 -3.160) 3.489 7.137 ( 14.661 -0.223 6.557) 16.062 7.458 ( -21.042 -2.526 6.990) 22.316 8.089 ( -6.514 1.796 10.442) 12.438 8.250 ( 15.579 0.487 -2.207) 15.742 9.051 ( -2.520 0.997 -4.913) 5.611 9.888 ( 6.473 2.303 8.443) 10.885 10.495 ( 6.504 6.720 1.387) 9.454 10.987 ( 0.968 -0.083 4.810) 4.907 12.127 ( -1.152 -7.398 1.345) 7.607 12.374 ( -0.254 14.606 -4.417) 15.261 12.914 ( 2.103 -11.044 -11.541) 16.112 13.775 ( -3.946 3.373 4.046) 6.582 14.131 ( -2.765 -5.932 1.255) 6.664 14.719 ( 12.834 8.103 -2.006) 15.310 15.564 ( -6.655 -2.231 -8.803) 11.259 16.921 ( 7.510 -1.397 -4.574) 8.903 17.745 ( 22.336 3.522 7.897) 23.952 18.386 ( -21.526 4.863 10.153) 24.292 19.329 ( -3.840 -6.565 -4.589) 8.883 19.567 ( 12.897 1.646 6.286) 14.441 22.330 ( -19.446 -3.422 -7.485) 21.115 23.543 ( 14.684 -1.884 -0.686) 14.820 23.981 ( -5.557 1.493 -4.071) 7.049 ======================= Grid point 146 (78/260) ======================= q-point: (-0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -1.885 15.080 6.382) 16.483 2.245 ( -1.349 -0.732 0.768) 1.717 2.742 ( 0.234 -1.363 -3.127) 3.419 2.912 ( -7.702 -13.514 -14.487) 21.256 3.826 ( 9.501 12.952 -3.063) 16.353 4.189 ( 7.996 -13.434 1.410) 15.697 4.847 ( -6.569 12.033 7.273) 15.519 5.071 ( -1.699 -4.492 -1.518) 5.036 5.291 ( -2.669 -4.990 10.135) 11.608 5.529 ( -2.039 2.961 -12.670) 13.170 6.071 ( -3.936 3.259 -0.745) 5.164 6.125 ( -5.504 1.233 8.723) 10.387 6.876 ( 6.977 -1.122 -11.456) 13.461 7.099 ( -12.580 -2.991 7.438) 14.917 7.526 ( 20.870 -1.041 8.163) 22.433 7.873 ( -12.511 -0.292 4.771) 13.393 8.521 ( 9.479 2.544 -2.452) 10.116 9.020 ( -1.198 0.682 0.979) 1.691 10.041 ( 7.842 2.976 4.071) 9.323 10.603 ( 3.877 3.492 -7.892) 9.461 11.053 ( 5.408 3.210 16.946) 18.075 12.013 ( -8.143 -2.340 2.792) 8.921 12.318 ( -6.719 3.383 -4.444) 8.737 13.052 ( 11.124 -2.131 -14.337) 18.271 13.673 ( -5.978 -0.519 2.622) 6.549 14.072 ( -2.856 -5.268 2.698) 6.572 15.106 ( 24.085 7.080 -6.585) 25.953 15.452 ( -3.170 -3.760 -7.192) 8.713 17.190 ( 18.654 1.321 -1.808) 18.788 17.523 ( -38.479 6.280 19.255) 43.483 18.530 ( 30.486 -0.299 9.205) 31.847 19.197 ( -7.778 -7.042 -6.120) 12.147 19.874 ( 13.624 2.046 4.487) 14.489 21.889 ( -23.155 -3.543 -10.353) 25.611 23.809 ( 3.962 3.038 -4.300) 6.590 23.863 ( 1.467 -2.340 -2.421) 3.673 ======================= Grid point 147 (79/260) ======================= q-point: (-0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -0.183 14.356 9.886) 17.431 2.168 ( -4.909 14.155 -0.997) 15.015 2.775 ( -4.353 -12.402 -12.753) 18.314 2.792 ( 3.017 -9.034 2.713) 9.903 4.030 ( 8.571 14.506 -1.001) 16.879 4.321 ( 3.569 -11.953 3.202) 12.878 4.708 ( -5.930 21.155 5.578) 22.667 5.003 ( -4.339 -4.299 6.224) 8.721 5.267 ( -0.060 -14.644 9.244) 17.317 5.472 ( -3.335 1.853 -7.474) 8.391 5.978 ( -4.376 3.147 -3.726) 6.552 5.996 ( -5.723 1.069 2.910) 6.509 6.901 ( -4.971 1.218 6.058) 7.931 7.095 ( 9.800 -3.748 -18.177) 20.988 7.652 ( -6.117 -1.693 3.012) 7.025 7.969 ( 20.491 -0.918 9.608) 22.650 8.632 ( 1.433 1.869 -1.914) 3.035 8.973 ( -4.000 -0.135 5.486) 6.791 10.207 ( 7.990 5.147 -1.507) 9.623 10.649 ( 1.598 -0.376 -15.588) 15.674 11.231 ( 10.370 8.095 25.203) 28.430 11.828 ( -9.402 -2.606 2.239) 10.010 12.087 ( -14.815 -1.114 -6.059) 16.045 13.308 ( 11.836 2.419 -11.257) 16.513 13.550 ( -3.940 -4.903 -0.735) 6.333 14.014 ( -2.873 -3.753 3.621) 5.954 15.373 ( -0.218 0.832 -4.593) 4.673 15.722 ( 29.578 0.734 -13.199) 32.398 16.656 ( -43.378 1.307 23.676) 49.436 17.702 ( 30.578 2.886 7.628) 31.647 18.996 ( -7.050 -2.164 -10.831) 13.103 19.187 ( 25.704 -1.325 3.206) 25.938 20.094 ( 7.267 0.535 8.383) 11.108 21.346 ( -29.121 -2.669 -9.369) 30.707 23.723 ( -2.918 1.169 -6.655) 7.360 24.043 ( 7.593 -0.175 -1.626) 7.768 ======================= Grid point 148 (80/260) ======================= q-point: (-0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -1.249 10.985 9.678) 14.693 2.105 ( -0.324 16.611 3.939) 17.075 2.741 ( 1.837 -7.405 -10.983) 13.373 2.843 ( 1.992 -9.638 6.541) 11.817 4.081 ( -5.865 16.303 14.797) 22.785 4.324 ( -1.137 -4.768 -6.184) 7.891 4.658 ( 0.662 24.770 -1.434) 24.820 4.937 ( -2.489 -7.613 9.230) 12.221 5.259 ( -1.870 -21.295 4.458) 21.836 5.395 ( -3.443 -0.133 0.604) 3.498 5.884 ( -2.082 7.518 -1.481) 7.941 5.972 ( 2.058 -1.252 -2.586) 3.534 6.833 ( -2.288 1.516 2.966) 4.041 7.174 ( -0.239 -3.348 -11.351) 11.836 7.768 ( 16.417 -1.521 -2.745) 16.714 8.318 ( 9.801 -0.650 3.657) 10.481 8.612 ( -0.898 2.057 3.782) 4.398 8.847 ( -8.260 -2.929 9.051) 12.599 10.360 ( 6.708 9.671 -8.184) 14.335 10.680 ( 2.542 -4.326 -14.518) 15.360 11.422 ( 1.476 16.757 16.586) 23.623 11.678 ( -2.443 -3.586 3.576) 5.623 11.739 ( -15.619 -8.909 -1.627) 18.055 13.332 ( -4.991 -6.441 -0.200) 8.151 13.714 ( 16.289 1.831 -12.716) 20.745 13.963 ( -1.921 -3.040 4.505) 5.765 15.370 ( -0.124 0.420 -1.366) 1.434 15.770 ( -36.387 4.077 21.486) 42.454 16.316 ( 20.200 -5.769 -17.454) 27.312 18.354 ( 19.690 0.881 15.496) 25.072 18.894 ( 9.687 -0.054 -19.933) 22.162 19.590 ( 9.450 1.756 -8.350) 12.732 20.207 ( 4.775 -1.223 15.209) 15.988 20.712 ( -29.370 -0.829 0.133) 29.382 23.723 ( 2.837 0.364 -4.314) 5.176 24.151 ( 3.126 0.455 -2.739) 4.181 ======================= Grid point 189 (81/260) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -9.453 0.000 28.425) 29.956 1.312 ( 3.114 0.000 32.182) 32.332 2.130 ( 12.859 0.000 43.918) 45.762 3.403 ( 3.858 0.000 9.222) 9.996 3.589 ( 11.035 0.000 10.859) 15.482 3.980 ( 0.309 0.000 -14.553) 14.557 4.161 ( -1.517 0.000 -5.859) 6.053 4.211 ( -1.834 0.000 -14.892) 15.005 5.257 ( 18.236 0.000 -6.003) 19.199 5.450 ( -1.561 0.000 4.372) 4.642 6.102 ( -7.911 0.000 21.551) 22.957 6.397 ( -7.085 0.000 0.934) 7.147 6.889 ( -7.487 0.000 10.590) 12.969 7.666 ( -2.177 0.000 -11.291) 11.499 7.798 ( 5.444 0.000 -20.121) 20.845 8.186 ( -5.572 0.000 -15.480) 16.452 8.594 ( -2.441 0.000 3.796) 4.513 8.668 ( 1.501 0.000 -3.935) 4.212 9.613 ( 5.035 0.000 9.611) 10.850 10.466 ( 11.565 0.000 0.356) 11.570 11.139 ( 8.190 0.000 -14.912) 17.013 11.839 ( -3.569 0.000 -15.655) 16.057 12.302 ( 6.084 0.000 13.180) 14.516 13.265 ( 3.396 0.000 2.026) 3.954 14.272 ( 12.663 0.000 -6.216) 14.106 14.282 ( -7.561 0.000 1.904) 7.797 15.275 ( 6.559 0.000 -2.950) 7.192 15.377 ( -7.629 0.000 2.388) 7.994 17.421 ( -85.860 0.000 -2.749) 85.904 17.471 ( 4.721 0.000 -7.436) 8.808 19.072 ( -4.496 0.000 1.633) 4.784 19.457 ( 0.435 0.000 -1.728) 1.782 20.621 ( -16.037 0.000 13.202) 20.772 21.770 ( 77.675 0.000 -5.731) 77.886 23.010 ( 9.586 0.000 5.569) 11.086 24.019 ( -3.510 0.000 -4.919) 6.043 ======================= Grid point 190 (82/260) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 9.599 0.000 26.025) 27.739 1.427 ( 10.715 0.000 24.493) 26.734 2.579 ( 23.161 0.000 30.698) 38.455 3.525 ( 8.076 0.000 18.452) 20.142 3.830 ( 8.167 0.000 23.109) 24.509 3.929 ( 0.748 0.000 -15.036) 15.054 4.174 ( 0.975 0.000 -20.232) 20.256 4.193 ( 0.636 0.000 -19.404) 19.414 5.407 ( -2.893 0.000 5.383) 6.111 5.646 ( 15.687 0.000 -10.638) 18.954 5.943 ( -8.005 0.000 20.196) 21.724 6.357 ( 5.270 0.000 -3.935) 6.577 6.779 ( -5.056 0.000 12.533) 13.514 7.573 ( -6.174 0.000 -10.422) 12.114 7.832 ( -3.816 0.000 -21.651) 21.985 8.041 ( -3.162 0.000 -12.103) 12.509 8.531 ( -3.092 0.000 2.939) 4.266 8.672 ( -2.692 0.000 3.231) 4.205 9.679 ( 1.006 0.000 5.333) 5.427 10.616 ( 2.478 0.000 3.780) 4.520 11.200 ( -3.817 0.000 -13.287) 13.824 11.843 ( 4.815 0.000 -17.428) 18.081 12.437 ( 5.428 0.000 2.153) 5.839 13.300 ( -0.412 0.000 3.919) 3.941 14.167 ( -3.329 0.000 2.092) 3.931 14.431 ( 1.165 0.000 -8.112) 8.195 15.222 ( -11.136 0.000 2.699) 11.458 15.272 ( -7.116 0.000 -4.829) 8.600 15.745 ( -54.283 0.000 36.929) 65.654 17.520 ( 2.123 0.000 -1.866) 2.827 19.082 ( 3.992 0.000 -2.433) 4.675 19.483 ( 0.277 0.000 -0.392) 0.480 20.198 ( -23.780 0.000 9.127) 25.472 23.078 ( 43.229 0.000 -25.740) 50.312 23.240 ( 11.372 0.000 7.348) 13.540 23.895 ( -8.186 0.000 -6.707) 10.583 ======================= Grid point 191 (83/260) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 20.855 0.000 19.432) 28.505 1.770 ( 19.883 0.000 10.446) 22.460 2.988 ( 14.135 0.000 11.822) 18.427 3.761 ( 12.735 0.000 23.861) 27.047 3.831 ( -1.516 0.000 7.246) 7.403 4.121 ( 9.077 0.000 -6.198) 10.991 4.149 ( -1.374 0.000 -18.664) 18.714 4.231 ( 4.811 0.000 -17.062) 17.728 5.343 ( -2.889 0.000 7.342) 7.890 5.808 ( -5.384 0.000 16.851) 17.690 5.817 ( 2.566 0.000 -4.135) 4.867 6.587 ( 11.370 0.000 -9.747) 14.976 6.673 ( -3.077 0.000 11.251) 11.664 7.421 ( -7.254 0.000 -9.405) 11.877 7.624 ( -12.441 0.000 -17.549) 21.512 8.093 ( 6.008 0.000 -5.994) 8.486 8.489 ( -0.594 0.000 0.527) 0.794 8.536 ( -10.258 0.000 6.773) 12.292 9.667 ( -2.070 0.000 0.053) 2.071 10.554 ( -9.936 0.000 -0.113) 9.936 11.000 ( -11.454 0.000 13.393) 17.623 12.011 ( 11.723 0.000 -18.372) 21.794 12.473 ( -2.018 0.000 4.794) 5.201 13.243 ( -5.400 0.000 5.971) 8.051 14.149 ( 1.318 0.000 1.322) 1.866 14.244 ( -16.168 0.000 -0.776) 16.186 14.944 ( -0.354 0.000 6.443) 6.453 14.999 ( -17.492 0.000 -7.373) 18.983 15.503 ( 8.342 0.000 9.301) 12.494 17.625 ( 8.637 0.000 4.605) 9.788 19.084 ( -9.684 0.000 -8.600) 12.951 19.424 ( -6.451 0.000 2.432) 6.894 19.780 ( -11.279 0.000 9.694) 14.872 23.454 ( 8.426 0.000 7.528) 11.299 23.625 ( 14.084 0.000 -15.131) 20.672 23.690 ( -9.919 0.000 -11.815) 15.427 ======================= Grid point 192 (84/260) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 22.968 0.000 13.819) 26.805 2.190 ( 19.249 0.000 0.752) 19.263 3.151 ( 0.999 0.000 -0.642) 1.187 3.812 ( -1.971 0.000 10.125) 10.315 3.999 ( 9.335 0.000 5.271) 10.720 4.058 ( -4.119 0.000 -26.509) 26.827 4.258 ( 2.420 0.000 -5.955) 6.428 4.418 ( 12.814 0.000 -0.520) 12.825 5.346 ( 4.090 0.000 8.092) 9.067 5.751 ( -0.610 0.000 13.505) 13.519 5.811 ( -2.226 0.000 1.142) 2.502 6.449 ( -13.213 0.000 14.643) 19.723 6.912 ( 13.206 0.000 -9.323) 16.165 7.311 ( -2.076 0.000 -7.974) 8.240 7.352 ( -12.897 0.000 -11.038) 16.976 8.125 ( -10.749 0.000 8.102) 13.461 8.396 ( 4.577 0.000 0.541) 4.609 8.529 ( 5.109 0.000 -3.654) 6.281 9.601 ( -4.138 0.000 -4.352) 6.005 10.207 ( -21.025 0.000 3.122) 21.256 10.862 ( -3.486 0.000 29.299) 29.506 12.286 ( 15.098 0.000 -18.356) 23.767 12.405 ( -3.897 0.000 6.845) 7.876 13.085 ( -9.823 0.000 6.529) 11.794 13.917 ( -14.868 0.000 -3.194) 15.207 14.211 ( 3.905 0.000 -2.570) 4.675 14.619 ( -16.994 0.000 -5.094) 17.742 15.133 ( 14.325 0.000 -8.596) 16.706 15.787 ( 17.866 0.000 4.497) 18.423 17.880 ( 15.360 0.000 8.906) 17.755 18.622 ( -29.446 0.000 -7.865) 30.478 19.216 ( -13.653 0.000 5.065) 14.563 19.794 ( 7.487 0.000 6.448) 9.880 23.443 ( -11.779 0.000 -12.505) 17.179 23.580 ( 3.226 0.000 7.015) 7.722 23.820 ( 5.751 0.000 -10.752) 12.194 ======================= Grid point 193 (85/260) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 20.373 0.000 8.488) 22.070 2.523 ( 11.442 0.000 -2.667) 11.748 3.042 ( -9.432 0.000 -11.277) 14.701 3.694 ( -10.572 0.000 14.359) 17.831 3.948 ( -6.458 0.000 -20.853) 21.830 4.183 ( 8.141 0.000 -2.878) 8.635 4.286 ( 3.146 0.000 -15.653) 15.966 4.657 ( 8.126 0.000 -1.239) 8.220 5.522 ( 11.324 0.000 5.534) 12.604 5.762 ( -1.529 0.000 6.131) 6.319 5.798 ( 4.646 0.000 12.075) 12.938 6.115 ( -19.181 0.000 15.863) 24.891 7.097 ( -10.766 0.000 -5.042) 11.888 7.166 ( 12.484 0.000 -1.787) 12.612 7.320 ( 2.376 0.000 -5.437) 5.934 7.784 ( -18.483 0.000 10.264) 21.142 8.614 ( 12.571 0.000 3.667) 13.095 8.713 ( 12.882 0.000 -7.687) 15.001 9.493 ( -6.023 0.000 -7.757) 9.821 9.769 ( -21.009 0.000 7.655) 22.360 10.839 ( -0.740 0.000 34.326) 34.334 12.328 ( -4.026 0.000 5.503) 6.818 12.579 ( 11.399 0.000 -13.561) 17.716 12.895 ( -5.519 0.000 1.040) 5.617 13.635 ( -11.724 0.000 -7.394) 13.861 14.164 ( -10.933 0.000 -13.980) 17.748 14.454 ( 3.543 0.000 7.172) 8.000 15.423 ( 12.879 0.000 -7.684) 14.997 16.223 ( 23.515 0.000 -0.995) 23.536 17.994 ( -28.302 0.000 -7.388) 29.250 18.257 ( 19.258 0.000 10.755) 22.058 18.888 ( -17.474 0.000 6.441) 18.624 19.980 ( 9.227 0.000 6.622) 11.357 23.190 ( -12.053 0.000 -18.211) 21.838 23.591 ( -2.375 0.000 5.945) 6.402 23.900 ( 2.865 0.000 -5.974) 6.625 ======================= Grid point 194 (86/260) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -17.456 0.000 -3.809) 17.867 2.836 ( 15.911 0.000 3.107) 16.212 2.964 ( 5.430 0.000 -16.844) 17.697 3.398 ( -18.242 0.000 17.884) 25.546 3.777 ( -8.196 0.000 -22.244) 23.706 4.262 ( -2.926 0.000 -3.161) 4.308 4.384 ( 5.771 0.000 -13.080) 14.297 4.724 ( 0.050 0.000 -10.502) 10.502 5.684 ( -19.753 0.000 14.991) 24.797 5.711 ( 4.117 0.000 6.033) 7.304 5.824 ( 4.960 0.000 12.384) 13.340 5.985 ( 13.247 0.000 9.359) 16.219 6.944 ( -2.644 0.000 -1.968) 3.296 7.338 ( 2.991 0.000 -9.468) 9.929 7.443 ( -13.699 0.000 8.253) 15.993 7.493 ( 15.560 0.000 9.716) 18.344 8.859 ( 10.258 0.000 7.632) 12.786 9.021 ( 14.884 0.000 -8.840) 17.311 9.349 ( -7.266 0.000 -11.037) 13.215 9.354 ( -18.121 0.000 7.148) 19.480 10.846 ( -0.476 0.000 36.943) 36.947 12.235 ( -5.319 0.000 4.573) 7.014 12.583 ( -5.954 0.000 1.120) 6.059 13.036 ( 14.152 0.000 -13.539) 19.586 13.448 ( -5.559 0.000 -10.217) 11.631 13.920 ( -9.533 0.000 -10.859) 14.449 14.587 ( 6.774 0.000 4.824) 8.315 15.638 ( 8.008 0.000 -2.577) 8.412 16.720 ( 23.636 0.000 -2.295) 23.747 17.466 ( -21.283 0.000 -7.860) 22.688 18.544 ( -14.805 0.000 5.624) 15.838 18.693 ( 21.611 0.000 10.760) 24.142 20.164 ( 8.035 0.000 10.612) 13.311 22.925 ( -12.852 0.000 -24.396) 27.574 23.494 ( -6.996 0.000 4.171) 8.145 23.946 ( 1.948 0.000 -3.324) 3.853 ======================= Grid point 195 (87/260) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -27.207 0.000 -6.382) 27.945 2.978 ( -22.638 0.000 20.245) 30.370 3.095 ( 5.922 0.000 -12.861) 14.159 3.113 ( 10.504 0.000 -0.779) 10.533 3.622 ( -5.005 0.000 -24.303) 24.813 4.007 ( -20.407 0.000 -2.152) 20.520 4.474 ( 2.846 0.000 -6.527) 7.121 4.721 ( 0.298 0.000 -10.187) 10.191 5.274 ( -18.772 0.000 10.333) 21.427 5.702 ( -4.097 0.000 8.942) 9.836 6.022 ( 11.543 0.000 12.626) 17.107 6.260 ( 10.452 0.000 10.078) 14.520 7.020 ( 9.338 0.000 -5.539) 10.857 7.277 ( -0.948 0.000 4.910) 5.001 7.394 ( 3.343 0.000 -9.577) 10.143 7.842 ( 16.638 0.000 12.758) 20.967 8.853 ( -22.095 0.000 2.800) 22.272 9.030 ( 5.561 0.000 11.155) 12.464 9.195 ( -6.451 0.000 -15.324) 16.627 9.451 ( 17.677 0.000 -7.016) 19.019 10.840 ( -1.750 0.000 34.667) 34.711 12.122 ( -5.224 0.000 6.599) 8.417 12.473 ( -4.568 0.000 -1.988) 4.982 13.232 ( 1.903 0.000 -7.020) 7.273 13.403 ( 1.545 0.000 -10.739) 10.849 13.874 ( 8.570 0.000 -12.007) 14.752 14.698 ( 3.339 0.000 3.381) 4.752 15.747 ( 2.507 0.000 0.649) 2.589 17.131 ( -10.574 0.000 -7.808) 13.144 17.155 ( 17.518 0.000 7.851) 19.197 18.344 ( -3.129 0.000 -0.806) 3.231 19.127 ( 18.859 0.000 7.420) 20.266 20.323 ( 7.027 0.000 17.994) 19.317 22.628 ( -15.023 0.000 -30.856) 34.319 23.319 ( -9.701 0.000 1.793) 9.865 23.981 ( 1.649 0.000 -2.016) 2.604 ======================= Grid point 196 (88/260) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -26.327 0.000 -0.619) 26.334 2.490 ( -25.104 0.000 20.969) 32.709 3.157 ( -1.761 0.000 -4.102) 4.464 3.258 ( 3.321 0.000 0.569) 3.369 3.507 ( -24.391 0.000 3.551) 24.648 3.590 ( 3.674 0.000 -25.986) 26.244 4.484 ( -1.756 0.000 -0.402) 1.802 4.689 ( -4.850 0.000 -6.060) 7.762 4.967 ( -9.234 0.000 -2.196) 9.492 5.600 ( -5.201 0.000 9.347) 10.697 6.267 ( 10.936 0.000 11.214) 15.664 6.379 ( 0.770 0.000 15.836) 15.854 7.218 ( 9.997 0.000 -13.489) 16.790 7.466 ( 3.755 0.000 -10.407) 11.063 7.474 ( 17.505 0.000 1.405) 17.562 8.140 ( 6.812 0.000 14.327) 15.864 8.390 ( -17.867 0.000 -1.085) 17.900 9.005 ( -6.680 0.000 -9.822) 11.878 9.186 ( 5.025 0.000 4.544) 6.774 9.792 ( 14.502 0.000 -7.422) 16.291 10.813 ( -1.596 0.000 26.405) 26.453 12.053 ( -1.448 0.000 13.918) 13.993 12.368 ( -6.118 0.000 -7.382) 9.588 13.166 ( -4.525 0.000 -1.798) 4.869 13.491 ( 7.178 0.000 -9.323) 11.767 14.210 ( 21.026 0.000 -10.562) 23.530 14.716 ( -1.915 0.000 2.635) 3.257 15.745 ( -2.470 0.000 2.159) 3.280 17.023 ( 0.199 0.000 -7.723) 7.725 17.461 ( 13.345 0.000 26.782) 29.922 18.438 ( 11.520 0.000 -11.235) 16.092 19.421 ( 8.051 0.000 1.877) 8.267 20.493 ( 9.008 0.000 26.382) 27.878 22.252 ( -20.792 0.000 -37.327) 42.727 23.112 ( -9.847 0.000 -0.448) 9.857 24.013 ( 1.549 0.000 -1.696) 2.296 ======================= Grid point 197 (89/260) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -10.099 0.000 18.470) 21.051 1.975 ( -25.232 0.000 22.467) 33.785 2.779 ( -29.215 0.000 21.777) 36.438 3.302 ( 2.485 0.000 2.172) 3.300 3.303 ( 0.233 0.000 -2.462) 2.473 3.718 ( 8.510 0.000 -24.462) 25.901 4.406 ( -5.677 0.000 4.103) 7.004 4.501 ( -10.740 0.000 -5.788) 12.201 4.911 ( 1.928 0.000 -9.844) 10.031 5.517 ( -3.038 0.000 7.297) 7.904 6.344 ( -4.156 0.000 19.623) 20.058 6.458 ( 6.472 0.000 9.049) 11.125 7.442 ( 11.711 0.000 -18.179) 21.625 7.501 ( -3.456 0.000 -9.242) 9.867 7.813 ( -19.650 0.000 -1.373) 19.698 7.858 ( 17.842 0.000 -2.130) 17.969 8.463 ( 9.100 0.000 8.462) 12.426 8.851 ( -7.313 0.000 -16.184) 17.760 9.316 ( 7.027 0.000 10.421) 12.569 10.024 ( 8.681 0.000 -5.593) 10.327 10.836 ( 3.529 0.000 14.482) 14.906 12.081 ( 3.129 0.000 21.805) 22.028 12.197 ( -9.755 0.000 -11.376) 14.986 13.122 ( 0.689 0.000 -0.077) 0.693 13.687 ( 12.024 0.000 -6.616) 13.724 14.622 ( -4.232 0.000 -3.404) 5.431 14.653 ( 18.456 0.000 -1.414) 18.511 15.662 ( -5.383 0.000 3.162) 6.243 17.113 ( 8.147 0.000 -8.143) 11.519 17.845 ( 24.425 0.000 34.627) 42.375 18.749 ( 18.455 0.000 -10.761) 21.363 19.440 ( -5.610 0.000 0.412) 5.625 20.704 ( 8.776 0.000 27.547) 28.911 21.687 ( -33.215 0.000 -40.789) 52.602 22.937 ( -6.355 0.000 -0.980) 6.431 24.042 ( 1.210 0.000 -2.118) 2.439 ======================= Grid point 198 (90/260) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 13.378 0.000 34.761) 37.246 1.493 ( -21.487 0.000 25.253) 33.158 2.231 ( -21.587 0.000 36.815) 42.677 3.337 ( 2.446 0.000 2.899) 3.793 3.398 ( 6.819 0.000 6.054) 9.118 3.884 ( 7.954 0.000 -22.973) 24.311 4.270 ( -7.144 0.000 5.155) 8.810 4.305 ( -7.117 0.000 -9.573) 11.929 4.998 ( 7.402 0.000 -6.956) 10.158 5.476 ( -1.462 0.000 5.051) 5.258 6.242 ( -6.429 0.000 21.260) 22.210 6.517 ( -1.849 0.000 5.037) 5.366 7.164 ( -20.068 0.000 2.840) 20.268 7.655 ( 9.255 0.000 -20.041) 22.074 7.681 ( 0.423 0.000 -10.779) 10.787 8.155 ( 9.589 0.000 -6.718) 11.708 8.595 ( 2.856 0.000 5.606) 6.291 8.704 ( -5.263 0.000 -14.899) 15.802 9.475 ( 7.437 0.000 11.480) 13.679 10.210 ( 11.085 0.000 -2.157) 11.293 10.964 ( 7.956 0.000 0.327) 7.963 11.985 ( -9.258 0.000 -13.620) 16.468 12.181 ( 5.071 0.000 22.197) 22.769 13.179 ( 4.163 0.000 0.704) 4.222 13.973 ( 15.308 0.000 -4.818) 16.049 14.458 ( -8.946 0.000 1.609) 9.090 15.036 ( 15.910 0.000 -3.753) 16.347 15.533 ( -7.181 0.000 3.450) 7.967 17.311 ( 10.184 0.000 -8.768) 13.438 18.321 ( 5.037 0.000 -2.949) 5.837 19.250 ( -11.000 0.000 1.899) 11.163 19.259 ( 29.755 0.000 6.918) 30.548 20.803 ( -1.866 0.000 21.043) 21.126 20.952 ( -20.965 0.000 -17.698) 27.436 22.883 ( 1.795 0.000 1.723) 2.488 24.054 ( -0.150 0.000 -3.217) 3.221 ======================= Grid point 199 (91/260) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 2.213 10.369 25.056) 27.207 1.513 ( 1.734 15.197 29.638) 33.352 2.304 ( 4.186 17.630 37.266) 41.438 3.479 ( 4.371 0.755 5.903) 7.384 3.518 ( 8.097 0.477 5.939) 10.053 3.853 ( -1.909 -7.481 2.212) 8.032 4.130 ( 3.207 -0.239 -13.973) 14.338 4.445 ( -3.982 15.424 -13.528) 20.899 5.277 ( 16.037 1.985 -5.814) 17.173 5.487 ( -3.015 3.503 4.570) 6.500 6.087 ( -7.566 -1.838 19.623) 21.111 6.395 ( -3.823 -0.602 1.360) 4.102 6.813 ( -6.376 -6.614 10.494) 13.947 7.528 ( 2.902 -8.647 -10.323) 13.775 7.928 ( 4.772 7.258 -18.732) 20.648 8.165 ( -6.402 -1.974 -14.293) 15.786 8.570 ( -0.173 0.799 7.992) 8.034 8.835 ( -3.616 14.119 -11.897) 18.814 9.550 ( 4.256 -5.863 11.458) 13.557 10.554 ( 9.340 7.485 -1.306) 12.040 11.076 ( 5.098 -4.969 -10.677) 12.832 11.896 ( -3.331 4.009 -14.436) 15.348 12.196 ( 4.341 -9.510 15.613) 18.789 13.332 ( 7.622 6.366 -1.043) 9.985 14.170 ( 8.071 -8.793 -3.272) 12.376 14.314 ( -4.044 0.799 2.091) 4.622 15.211 ( 1.450 -4.542 -1.128) 4.899 15.373 ( -7.062 -0.499 0.409) 7.091 17.041 ( -45.365 -22.396 1.960) 50.630 17.735 ( -25.823 11.735 -12.003) 30.799 19.098 ( 0.978 2.693 0.284) 2.879 19.445 ( -0.996 -1.533 -3.052) 3.558 20.614 ( -14.356 -0.593 13.367) 19.625 21.416 ( 61.284 -24.320 9.518) 66.617 23.339 ( 14.120 22.226 -5.810) 26.965 24.014 ( -3.416 -0.368 -4.749) 5.861 ======================= Grid point 200 (92/260) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 6.771 18.198 21.271) 28.801 1.555 ( 9.628 12.561 22.865) 27.808 2.623 ( 19.153 4.890 27.444) 33.822 3.573 ( 5.399 -0.435 9.279) 10.744 3.715 ( 9.188 -5.932 -0.334) 10.941 3.824 ( -0.228 -3.292 17.604) 17.910 4.188 ( 2.066 1.194 -19.265) 19.412 4.403 ( 0.680 13.999 -18.590) 23.281 5.411 ( -2.890 0.153 4.213) 5.111 5.644 ( 15.187 0.241 -7.617) 16.992 5.920 ( -8.580 -2.323 17.681) 19.789 6.394 ( 4.818 3.036 -3.214) 6.539 6.720 ( -4.234 -5.388 12.328) 14.104 7.539 ( -1.628 -2.622 -8.225) 8.785 7.861 ( -10.548 0.946 -20.159) 22.772 8.085 ( 1.141 5.144 -11.138) 12.321 8.546 ( -2.142 1.488 3.425) 4.305 8.761 ( -3.876 9.723 -1.152) 10.530 9.611 ( 1.251 -6.194 7.710) 9.969 10.671 ( 1.316 4.571 0.788) 4.821 11.117 ( -1.748 -6.805 -10.415) 12.563 11.875 ( 1.892 1.357 -13.752) 13.948 12.292 ( 3.874 -11.063 10.102) 15.474 13.465 ( 4.471 13.466 -3.739) 14.673 14.164 ( -3.511 -1.890 2.900) 4.931 14.347 ( 0.631 -6.915 -6.954) 9.827 15.091 ( -14.454 -10.961 8.475) 20.022 15.277 ( -2.938 2.351 -0.889) 3.866 15.805 ( -44.890 3.210 17.498) 48.287 17.585 ( -0.728 5.950 -2.646) 6.552 19.112 ( 2.615 3.048 -1.882) 4.435 19.406 ( -5.305 -7.589 -1.978) 9.468 20.259 ( -18.298 5.947 9.477) 21.448 22.528 ( 39.863 -32.045 -1.599) 51.171 23.636 ( 13.074 17.615 -9.153) 23.770 23.897 ( -7.631 0.198 -6.300) 9.898 ======================= Grid point 201 (93/260) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 12.852 6.882 21.024) 25.584 1.922 ( 21.075 12.790 8.289) 26.009 2.971 ( 12.088 -1.415 9.874) 15.672 3.715 ( 5.924 -6.604 12.160) 15.052 3.777 ( 1.736 -6.997 -4.695) 8.603 3.976 ( 10.450 -0.916 19.054) 21.751 4.182 ( -1.925 2.866 -22.544) 22.807 4.456 ( 5.299 13.162 -13.177) 19.363 5.363 ( -1.531 1.667 4.358) 4.911 5.713 ( -6.090 -5.995 10.105) 13.234 5.889 ( 3.211 3.760 1.441) 5.150 6.567 ( 4.866 -2.781 -0.921) 5.680 6.650 ( 2.557 -1.343 4.999) 5.773 7.447 ( -7.221 2.089 -6.114) 9.690 7.615 ( -10.571 -0.785 -16.413) 19.538 8.123 ( 2.123 2.395 -2.939) 4.345 8.512 ( -0.820 5.264 -4.723) 7.120 8.647 ( -6.732 9.022 6.687) 13.094 9.615 ( -0.999 -4.587 2.875) 5.505 10.574 ( -11.696 1.268 -2.215) 11.971 11.011 ( -6.011 1.063 10.484) 12.132 11.975 ( 8.402 -4.479 -14.000) 16.931 12.342 ( 0.501 -8.831 8.982) 12.606 13.452 ( -6.672 16.755 -1.180) 18.073 14.100 ( -5.235 -6.374 2.994) 8.775 14.208 ( -8.200 -1.311 -1.371) 8.416 14.842 ( -6.294 -5.352 -1.453) 8.388 15.104 ( -7.829 6.086 0.499) 9.929 15.556 ( 7.967 4.894 5.488) 10.842 17.637 ( 6.410 1.183 3.785) 7.537 19.039 ( -18.782 -6.609 -6.486) 20.941 19.276 ( -0.081 -8.293 0.964) 8.349 19.963 ( -9.386 13.908 9.073) 19.075 23.100 ( 18.189 -24.069 1.423) 30.202 23.699 ( -10.233 0.941 -10.994) 15.049 23.834 ( 6.026 9.853 -6.252) 13.133 ======================= Grid point 202 (94/260) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 18.129 -3.186 13.240) 22.674 2.356 ( 19.724 11.626 2.633) 23.046 3.100 ( -0.061 -4.482 -2.436) 5.102 3.717 ( -2.510 -8.381 11.554) 14.493 3.949 ( 10.185 -8.329 -9.687) 16.338 4.105 ( -2.752 3.296 -26.385) 26.732 4.125 ( 1.331 -3.720 10.282) 11.015 4.620 ( 10.396 13.887 -1.354) 17.401 5.383 ( 4.196 3.040 4.626) 6.946 5.618 ( -2.906 -8.219 9.585) 12.957 5.906 ( -0.793 5.147 3.816) 6.457 6.442 ( -10.581 -0.635 15.109) 18.456 6.897 ( 13.368 -1.871 -8.758) 16.091 7.251 ( -10.125 -2.656 -6.496) 12.319 7.436 ( -6.875 4.852 -6.801) 10.820 8.120 ( -5.201 0.017 5.543) 7.601 8.461 ( -1.017 6.974 1.410) 7.187 8.633 ( 6.191 9.682 -3.925) 12.145 9.571 ( -3.560 -2.553 -2.005) 4.818 10.226 ( -19.413 1.790 3.604) 19.825 10.939 ( -2.023 6.961 22.746) 23.873 12.171 ( 8.494 -10.884 -8.872) 16.411 12.347 ( 1.829 -4.216 0.472) 4.620 13.233 ( -12.394 12.275 3.072) 17.712 13.901 ( -10.334 -1.237 0.657) 10.428 14.197 ( 2.656 -0.947 -3.252) 4.304 14.589 ( -15.258 -2.464 -5.608) 16.441 15.208 ( 12.959 6.769 -7.626) 16.490 15.838 ( 17.853 5.173 1.645) 18.660 17.859 ( 14.436 -2.400 8.543) 16.945 18.489 ( -30.137 -12.144 -5.070) 32.885 19.233 ( -7.261 1.333 0.566) 7.404 19.891 ( 1.738 9.205 8.321) 12.530 23.336 ( 2.766 -14.457 3.870) 15.219 23.490 ( -6.329 -1.652 -14.504) 15.910 23.908 ( 1.841 5.204 -4.097) 6.874 ======================= Grid point 203 (95/260) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 16.916 -8.376 5.512) 19.665 2.695 ( 10.448 9.040 1.960) 13.955 2.993 ( -6.879 -4.310 -11.527) 14.098 3.606 ( -10.410 -8.978 15.886) 21.008 3.959 ( -5.165 -0.215 -21.460) 22.074 4.082 ( -2.558 -10.471 -4.573) 11.709 4.250 ( 13.188 0.837 -15.099) 20.065 4.803 ( 5.290 10.985 -2.969) 12.548 5.533 ( 7.705 -1.531 5.812) 9.772 5.617 ( 3.907 -5.112 9.788) 11.713 5.895 ( -0.723 4.003 7.820) 8.815 6.186 ( -13.267 6.544 15.770) 21.622 7.045 ( -6.777 -5.207 -5.297) 10.055 7.156 ( 6.994 -1.393 -3.748) 8.056 7.322 ( -1.074 2.160 2.531) 3.496 7.909 ( -12.358 10.809 6.107) 17.517 8.578 ( 10.021 -1.959 4.989) 11.364 8.824 ( 11.334 9.254 -7.434) 16.412 9.447 ( -8.562 -2.714 -6.279) 10.959 9.859 ( -15.127 7.564 7.669) 18.570 10.929 ( -0.452 8.426 28.655) 29.872 12.181 ( -4.988 -10.800 5.131) 12.956 12.531 ( 13.396 -8.303 -16.393) 22.741 13.009 ( -8.514 11.590 2.780) 14.647 13.700 ( -8.806 5.865 -2.522) 10.877 14.149 ( -9.913 -1.136 -12.641) 16.104 14.417 ( 2.058 -3.187 5.212) 6.446 15.469 ( 11.155 4.138 -7.652) 14.146 16.272 ( 23.561 5.047 -3.034) 24.286 17.869 ( -27.683 -12.322 -5.412) 30.781 18.225 ( 19.180 -2.060 10.827) 22.121 18.987 ( -15.022 8.433 3.276) 17.536 19.995 ( 6.582 1.601 7.861) 10.377 23.164 ( -12.596 -2.796 -14.497) 19.408 23.506 ( 1.842 -8.018 0.138) 8.228 23.924 ( 0.189 1.989 -2.944) 3.558 ======================= Grid point 204 (96/260) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -12.384 -1.745 -2.222) 12.702 2.702 ( 7.455 -7.909 -5.346) 12.113 3.055 ( 8.436 3.540 -7.459) 11.804 3.298 ( -19.036 -9.927 18.315) 28.219 3.816 ( -6.480 3.908 -23.551) 24.737 4.040 ( -3.266 -14.785 -6.338) 16.414 4.492 ( 9.585 4.906 -12.389) 16.414 4.818 ( -1.991 7.296 -11.658) 13.896 5.649 ( -3.628 -1.315 15.434) 15.909 5.673 ( -2.706 -7.134 12.707) 14.822 5.836 ( 2.090 6.386 5.622) 8.762 6.111 ( 6.657 8.959 11.388) 15.946 6.940 ( -1.897 -0.046 -1.300) 2.300 7.112 ( -4.207 -12.123 -1.756) 12.952 7.541 ( 15.181 5.754 6.563) 17.511 7.699 ( -6.917 13.970 3.549) 15.988 8.775 ( 5.066 -7.904 9.274) 13.196 8.988 ( -0.138 -3.407 -7.302) 8.059 9.310 ( 3.277 7.275 -6.092) 10.039 9.620 ( -8.923 15.178 0.996) 17.635 10.937 ( -0.366 8.845 32.741) 33.917 12.056 ( -6.353 -12.202 3.302) 14.147 12.746 ( 3.051 2.278 -8.416) 9.237 12.925 ( 3.185 -0.596 -4.512) 5.555 13.565 ( -3.223 9.074 -6.494) 11.614 13.933 ( -7.658 1.819 -9.364) 12.233 14.527 ( 5.971 -5.696 3.850) 9.106 15.643 ( 5.921 0.139 -3.765) 7.018 16.776 ( 24.398 5.684 -3.322) 25.271 17.370 ( -19.473 -9.178 -6.577) 22.510 18.534 ( -2.305 -0.430 9.822) 10.098 18.787 ( 8.664 8.464 4.863) 13.052 20.138 ( 6.494 -2.661 11.247) 13.256 22.876 ( -14.464 -4.714 -21.310) 26.183 23.493 ( -3.260 -0.784 1.139) 3.541 23.929 ( 0.775 -1.230 -2.419) 2.822 ======================= Grid point 205 (97/260) ======================= q-point: (-0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -24.626 3.852 -5.650) 25.558 2.812 ( -18.802 -14.004 17.053) 28.991 2.968 ( 6.141 -6.747 -6.111) 10.981 3.196 ( 3.784 0.355 -4.421) 5.830 3.706 ( -2.631 8.400 -23.848) 25.421 3.879 ( -12.463 -10.913 -2.506) 16.754 4.594 ( 0.372 9.113 -8.255) 12.302 4.791 ( 0.776 6.266 -11.907) 13.477 5.303 ( -18.163 3.003 14.378) 23.359 5.750 ( -1.364 3.147 8.631) 9.287 5.942 ( 8.590 -5.149 10.630) 14.605 6.288 ( 6.777 1.593 11.888) 13.777 6.951 ( 2.574 -7.074 -6.294) 9.813 7.167 ( 11.290 -2.267 1.147) 11.572 7.590 ( -1.928 11.147 -3.155) 11.745 7.895 ( 15.939 5.182 11.531) 20.344 8.573 ( -19.897 -16.967 3.037) 26.325 9.042 ( 5.709 -2.455 2.879) 6.849 9.432 ( -5.933 16.281 -2.613) 17.524 9.584 ( 14.555 13.598 -10.627) 22.576 10.932 ( -1.673 9.252 31.797) 33.158 11.949 ( -3.718 -11.906 3.837) 13.050 12.674 ( -6.128 13.874 -2.965) 15.454 13.023 ( 2.032 -14.944 -7.955) 17.051 13.550 ( 0.627 8.935 -6.562) 11.104 13.937 ( 10.670 6.725 -9.522) 15.803 14.628 ( 3.201 -6.916 3.044) 8.207 15.715 ( 1.295 -3.310 -0.800) 3.643 17.075 ( -8.655 -5.359 -7.368) 12.567 17.226 ( 17.448 7.122 6.188) 19.835 18.371 ( -4.101 2.610 1.780) 5.177 19.151 ( 17.746 2.419 4.596) 18.491 20.273 ( 6.271 -5.138 18.497) 20.196 22.542 ( -17.141 -7.919 -26.628) 32.643 23.381 ( -7.109 5.436 -1.274) 9.039 23.957 ( 1.869 -2.383 -1.747) 3.496 ======================= Grid point 206 (98/260) ======================= q-point: (-0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -22.756 9.943 0.464) 24.837 2.319 ( -25.563 -13.710 22.283) 36.578 3.140 ( 5.895 -2.296 -10.696) 12.427 3.227 ( 0.595 -3.328 -0.046) 3.381 3.541 ( -18.075 2.264 1.800) 18.305 3.701 ( 2.230 9.209 -20.088) 22.210 4.515 ( -7.698 5.448 0.899) 9.474 4.802 ( -0.788 9.230 -7.492) 11.914 5.006 ( -9.074 3.790 -0.195) 9.836 5.663 ( -5.406 6.086 8.892) 12.055 6.156 ( 9.804 -9.882 10.978) 17.728 6.366 ( 0.932 -2.172 14.921) 15.107 7.068 ( 8.877 -10.396 -12.257) 18.361 7.481 ( 14.001 0.435 2.963) 14.317 7.599 ( 4.212 8.080 -9.751) 13.346 8.126 ( -21.149 -14.713 1.728) 25.821 8.203 ( 12.816 2.928 12.449) 18.105 9.140 ( 2.409 -2.879 -2.062) 4.283 9.298 ( -4.595 20.196 -3.459) 20.999 9.899 ( 14.413 10.176 -8.566) 19.613 10.899 ( -2.321 9.008 24.004) 25.743 11.916 ( 0.285 -9.749 10.184) 14.101 12.517 ( -9.073 10.608 -6.695) 15.481 13.014 ( -0.632 -12.529 -3.567) 13.042 13.592 ( 4.391 7.345 -6.240) 10.591 14.304 ( 22.194 9.212 -8.324) 25.431 14.652 ( -0.948 -6.198 2.366) 6.701 15.702 ( -2.361 -4.359 1.169) 5.094 16.990 ( 0.317 -2.692 -8.324) 8.754 17.493 ( 10.212 3.276 25.543) 27.703 18.472 ( 13.069 3.258 -9.091) 16.250 19.408 ( 5.501 -1.507 -0.747) 5.753 20.441 ( 9.502 -5.251 26.706) 28.828 22.121 ( -23.024 -11.230 -30.838) 40.090 23.222 ( -7.425 9.488 -4.318) 12.799 23.999 ( 2.104 -1.525 -1.665) 3.086 ======================= Grid point 207 (99/260) ======================= q-point: (-0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -8.308 15.720 17.098) 24.667 1.820 ( -22.947 -10.044 25.651) 35.852 2.977 ( -21.226 12.669 12.734) 27.806 3.286 ( 0.989 -0.292 3.494) 3.643 3.328 ( 2.835 3.110 -5.361) 6.816 3.774 ( 4.954 5.080 -18.666) 19.969 4.311 ( -10.537 -1.597 4.244) 11.471 4.716 ( -6.363 14.214 -5.782) 16.612 4.949 ( 1.918 3.839 -9.777) 10.678 5.577 ( -2.948 5.666 6.911) 9.410 6.278 ( -0.377 -6.693 17.430) 18.674 6.406 ( 3.852 -5.114 10.424) 12.233 7.263 ( 9.259 -10.984 -14.947) 20.731 7.485 ( -19.205 -17.023 3.190) 25.860 7.646 ( 4.676 3.740 -10.842) 12.385 8.015 ( 11.543 5.747 -4.821) 13.766 8.431 ( 8.470 1.475 12.555) 15.217 9.068 ( -6.495 11.821 -20.949) 24.916 9.322 ( 4.634 4.228 11.719) 13.292 10.146 ( 10.010 10.980 -7.287) 16.549 10.889 ( 1.204 6.031 13.088) 14.461 11.964 ( 3.379 -7.545 16.898) 18.811 12.297 ( -11.222 5.403 -8.877) 15.295 13.047 ( 4.180 -6.090 -0.981) 7.451 13.727 ( 8.820 2.902 -5.711) 10.901 14.570 ( -4.221 -6.183 5.663) 9.387 14.777 ( 19.387 12.752 -10.609) 25.515 15.628 ( -4.661 -3.469 2.124) 6.186 17.058 ( 6.214 -5.005 -5.707) 9.810 17.834 ( 24.332 -0.953 32.314) 40.461 18.803 ( 17.256 5.275 -11.327) 21.305 19.363 ( -8.704 -7.730 -1.580) 11.747 20.663 ( 9.066 -4.121 26.833) 28.621 21.530 ( -33.210 -12.300 -30.365) 46.650 23.102 ( -3.118 13.579 -5.935) 15.144 24.036 ( 1.462 -0.579 -2.241) 2.737 ======================= Grid point 208 (100/260) ======================= q-point: (-0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 6.297 11.591 30.058) 32.825 1.458 ( -9.609 1.872 29.824) 31.389 2.513 ( -21.174 23.138 27.761) 41.886 3.351 ( 5.503 -4.413 3.685) 7.959 3.413 ( 4.058 8.050 1.510) 9.141 3.857 ( 2.720 -2.887 -12.713) 13.317 4.140 ( -4.919 -2.543 -2.211) 5.963 4.569 ( -7.007 16.012 -7.978) 19.213 5.037 ( 7.408 3.912 -7.181) 11.034 5.537 ( -1.849 5.511 4.507) 7.355 6.213 ( -5.504 -3.059 20.774) 21.707 6.461 ( -0.536 -5.876 5.614) 8.144 7.048 ( -17.671 -10.133 5.122) 21.004 7.435 ( 6.466 -11.839 -12.070) 18.102 7.787 ( 8.268 1.770 -15.439) 17.603 8.205 ( 4.374 3.875 -8.893) 10.641 8.550 ( 2.426 1.182 8.732) 9.140 8.931 ( -5.210 15.685 -19.884) 25.856 9.437 ( 5.609 -2.966 12.774) 14.263 10.341 ( 10.066 11.270 -4.388) 15.736 10.963 ( 5.177 0.655 1.072) 5.327 12.007 ( -3.793 1.229 -2.690) 4.809 12.124 ( -0.915 -5.183 10.379) 11.637 13.173 ( 7.412 0.026 -0.318) 7.419 13.942 ( 11.784 -3.384 -4.428) 13.035 14.445 ( -7.094 -2.487 4.526) 8.775 15.091 ( 10.449 6.195 -7.078) 14.059 15.516 ( -6.294 -1.723 1.608) 6.721 17.212 ( 7.031 -10.370 -4.150) 13.198 18.363 ( 4.940 3.928 -2.017) 6.625 19.000 ( 0.078 -17.809 2.413) 17.971 19.314 ( 14.880 1.159 1.782) 15.031 20.747 ( -3.745 -5.634 13.377) 14.990 20.867 ( -17.009 -4.370 -0.678) 17.574 23.124 ( 6.020 18.857 -5.209) 20.468 24.050 ( -0.210 -0.336 -3.295) 3.319 ======================= Grid point 209 (101/260) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 7.083 18.130 16.624) 25.597 1.807 ( 5.454 15.598 26.898) 31.568 2.710 ( -4.242 19.803 20.260) 28.646 3.330 ( 2.332 -6.269 1.105) 6.779 3.742 ( -2.182 -2.925 15.819) 16.235 3.775 ( 5.782 17.823 5.608) 19.558 4.138 ( 2.328 0.970 -12.287) 12.543 4.719 ( -5.556 11.950 -15.786) 20.564 5.317 ( 9.736 1.642 -3.984) 10.647 5.579 ( -2.568 6.224 4.197) 7.934 6.013 ( -7.078 -6.489 16.111) 18.755 6.331 ( 2.146 -7.190 4.061) 8.532 6.718 ( -5.110 -1.327 5.846) 7.877 7.373 ( 6.808 -7.622 -8.353) 13.200 8.023 ( 12.801 2.904 -13.949) 19.154 8.124 ( -10.532 -1.902 -13.776) 17.445 8.624 ( -3.105 4.240 11.010) 12.199 9.181 ( -3.591 20.931 -18.915) 28.439 9.418 ( 1.700 -6.840 14.006) 15.680 10.679 ( 6.074 4.069 -4.420) 8.543 11.010 ( -0.427 -0.802 -5.828) 5.899 11.856 ( -5.227 -10.427 -4.992) 12.688 12.083 ( 4.214 0.866 14.296) 14.929 13.476 ( 12.744 7.818 -5.139) 15.809 13.937 ( 4.793 -14.813 -2.085) 15.708 14.290 ( -1.636 -3.583 6.532) 7.628 15.181 ( -8.487 2.470 -0.663) 8.864 15.370 ( -4.088 0.529 -2.035) 4.597 16.623 ( -33.270 -20.813 -0.848) 39.253 17.918 ( -18.778 7.840 -12.567) 23.916 19.167 ( 8.626 4.179 -2.280) 9.853 19.390 ( -4.871 -4.260 -6.461) 9.145 20.606 ( -9.612 -0.096 13.791) 16.811 21.051 ( 41.838 -13.511 15.993) 46.784 23.657 ( 11.819 10.477 -6.202) 16.968 24.015 ( -3.216 0.841 -5.206) 6.177 ======================= Grid point 210 (102/260) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 8.203 17.296 13.903) 23.659 1.866 ( 5.035 18.787 21.599) 29.066 2.772 ( 7.939 9.921 16.485) 20.814 3.379 ( 3.224 -10.837 -5.677) 12.652 3.742 ( -0.845 -4.522 18.690) 19.248 3.897 ( 6.811 16.289 15.421) 23.442 4.208 ( 3.647 0.733 -16.085) 16.509 4.642 ( -0.658 10.215 -16.968) 19.817 5.396 ( -1.269 -2.252 0.527) 2.638 5.664 ( 6.663 1.491 0.985) 6.898 5.871 ( -4.173 -2.204 9.956) 11.018 6.399 ( 4.096 -4.782 2.826) 6.902 6.644 ( -2.606 -0.139 5.859) 6.414 7.490 ( 4.411 -2.415 -4.926) 7.040 7.841 ( -14.328 -2.461 -16.273) 21.820 8.219 ( 2.977 7.799 -7.286) 11.080 8.581 ( 1.065 1.956 4.737) 5.235 9.046 ( -7.593 19.337 -9.141) 22.697 9.481 ( 2.768 -6.530 10.334) 12.534 10.735 ( -1.834 0.687 -5.237) 5.591 11.006 ( 0.492 -3.693 -5.386) 6.548 11.787 ( -1.428 -11.214 -2.766) 11.638 12.182 ( 4.665 1.128 12.618) 13.500 13.702 ( 8.306 9.867 -7.563) 14.952 13.986 ( -0.776 -15.092 0.068) 15.112 14.292 ( 0.436 -0.228 0.829) 0.965 14.940 ( -12.233 -2.890 7.930) 14.863 15.347 ( -0.354 4.642 -2.227) 5.160 15.810 ( -32.460 -2.789 -1.537) 32.615 17.716 ( -4.867 7.246 -3.055) 9.247 19.172 ( -2.959 -1.561 -1.358) 3.611 19.231 ( -11.060 -5.800 -5.648) 13.706 20.400 ( -9.660 8.064 10.198) 16.197 21.984 ( 40.322 -24.109 6.941) 47.490 23.859 ( 7.169 5.911 -4.268) 10.225 23.908 ( -6.853 1.658 -7.910) 10.596 ======================= Grid point 211 (103/260) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 2.899 15.961 21.251) 26.735 2.177 ( 18.396 12.857 6.157) 23.273 2.951 ( 6.995 -0.495 4.107) 8.127 3.483 ( 6.762 -12.999 -4.400) 15.299 3.686 ( -3.825 -4.415 10.321) 11.859 4.067 ( 6.694 8.123 17.316) 20.264 4.218 ( -2.070 0.041 -20.223) 20.328 4.700 ( 7.070 12.588 -7.372) 16.211 5.371 ( -0.631 -2.179 -0.937) 2.454 5.614 ( -6.079 -3.088 8.349) 10.779 5.950 ( 4.939 2.288 0.205) 5.447 6.472 ( 0.757 -6.352 9.088) 11.114 6.652 ( 5.402 1.369 -1.119) 5.684 7.474 ( -10.320 0.355 -5.026) 11.484 7.605 ( -3.633 -0.048 -10.028) 10.666 8.160 ( -4.835 1.336 3.511) 6.123 8.685 ( 7.181 10.999 -7.487) 15.119 8.868 ( -9.510 14.223 1.771) 17.201 9.531 ( 1.623 -3.047 5.474) 6.472 10.572 ( -13.021 -1.957 -4.038) 13.773 11.029 ( 1.505 0.410 2.747) 3.159 11.805 ( 3.624 -12.700 -2.346) 13.413 12.274 ( 3.230 2.205 8.438) 9.300 13.715 ( -9.641 7.625 -5.969) 13.664 13.935 ( -1.985 -8.285 4.758) 9.758 14.231 ( -4.150 2.748 1.748) 5.275 14.788 ( -5.855 0.876 -8.698) 10.522 15.212 ( -3.480 5.126 0.754) 6.241 15.655 ( 10.288 4.661 -0.527) 11.307 17.666 ( 0.807 1.822 2.901) 3.520 18.802 ( -25.419 -15.659 -3.774) 30.093 19.220 ( 3.137 0.634 -2.610) 4.130 20.230 ( -7.398 13.314 9.551) 17.978 22.639 ( 23.464 -22.997 4.031) 33.101 23.724 ( -10.202 1.618 -10.520) 14.743 23.953 ( 2.380 3.028 -2.791) 4.757 ======================= Grid point 212 (104/260) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.522 6.288 15.315) 19.098 2.552 ( 16.899 8.203 2.616) 18.966 3.015 ( -1.482 -3.681 -5.763) 6.997 3.515 ( -4.483 -12.748 12.299) 18.272 3.748 ( 9.608 -9.864 -9.156) 16.537 4.039 ( -8.125 -5.120 -2.714) 9.979 4.223 ( 3.113 6.690 -14.260) 16.056 4.886 ( 8.881 13.236 -0.082) 15.940 5.371 ( 0.826 -5.692 1.860) 6.045 5.551 ( 0.713 2.531 7.194) 7.659 5.984 ( -0.701 2.930 2.428) 3.869 6.428 ( -4.596 -0.911 14.229) 14.981 6.849 ( 11.228 -2.299 -4.907) 12.467 7.223 ( -10.368 -0.590 -5.353) 11.683 7.504 ( -8.064 2.095 -0.424) 8.342 8.134 ( 2.150 1.346 6.208) 6.706 8.648 ( -9.674 11.470 2.566) 15.223 8.858 ( 8.427 13.052 -5.763) 16.571 9.535 ( -1.946 -0.234 -0.348) 1.991 10.260 ( -15.277 1.205 4.030) 15.846 11.061 ( 1.264 4.125 9.509) 10.442 11.922 ( 6.893 -14.269 -3.482) 16.225 12.304 ( -0.499 0.980 1.255) 1.669 13.428 ( -13.517 5.942 0.419) 14.772 13.899 ( -2.655 1.158 5.081) 5.848 14.203 ( 0.466 2.112 -2.717) 3.473 14.553 ( -13.743 -0.351 -6.064) 15.026 15.351 ( 11.554 7.371 -7.634) 15.688 15.970 ( 18.838 8.023 -4.402) 20.943 17.775 ( 8.235 -6.796 7.778) 13.210 18.237 ( -26.029 -12.307 -2.872) 28.935 19.257 ( -0.771 1.175 -2.688) 3.033 20.100 ( -5.306 11.529 10.281) 16.333 23.001 ( 12.175 -18.583 5.520) 22.892 23.485 ( -11.887 0.232 -16.030) 19.958 23.975 ( 0.150 1.859 -1.027) 2.129 ======================= Grid point 213 (105/260) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 12.402 -2.650 8.378) 15.199 2.820 ( 0.773 3.829 1.393) 4.148 2.910 ( 0.136 -3.747 -10.981) 11.603 3.371 ( -11.265 -14.815 16.264) 24.717 3.874 ( -5.693 -9.251 -8.717) 13.927 3.898 ( 2.958 -6.824 -15.641) 17.319 4.324 ( 9.047 5.969 -17.129) 20.270 4.974 ( -0.613 5.187 -10.639) 11.852 5.430 ( 4.653 -4.366 12.391) 13.937 5.644 ( 6.134 3.937 10.164) 12.507 5.969 ( -0.460 4.375 4.787) 6.501 6.316 ( -5.852 5.727 14.173) 16.368 6.937 ( -3.089 -4.269 -3.018) 6.072 7.148 ( -2.641 0.635 -0.925) 2.870 7.375 ( 3.797 2.320 2.875) 5.298 8.127 ( -6.303 10.847 6.355) 14.063 8.554 ( 2.260 -0.550 7.382) 7.739 9.009 ( 3.934 8.465 -6.438) 11.339 9.455 ( -3.328 4.895 -6.861) 9.061 10.011 ( -8.377 7.716 8.815) 14.402 11.090 ( 1.032 6.054 16.129) 17.259 12.001 ( -1.878 -7.662 2.167) 8.181 12.327 ( 5.886 -9.643 -10.424) 15.372 13.220 ( -7.011 7.418 -0.610) 10.225 13.824 ( -4.622 6.146 4.865) 9.099 14.162 ( -6.685 4.252 -8.827) 11.861 14.356 ( -1.784 -2.704 2.437) 4.054 15.550 ( 7.022 3.724 -8.775) 11.840 16.406 ( 23.422 8.488 -7.462) 26.006 17.580 ( -23.468 -16.368 -2.071) 28.687 18.193 ( 17.767 -1.374 9.265) 20.085 19.150 ( -9.334 7.751 -0.705) 12.153 20.041 ( -0.692 3.201 10.652) 11.144 23.078 ( -9.357 -6.445 -3.043) 11.762 23.328 ( 2.540 -9.293 -11.002) 14.624 23.963 ( -1.319 1.935 -1.040) 2.562 ======================= Grid point 214 (106/260) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 2.614 -4.413 2.923) 5.904 2.600 ( -7.327 -2.792 -8.323) 11.435 3.015 ( -8.329 -10.210 9.364) 16.165 3.097 ( -4.383 -6.611 2.237) 8.242 3.778 ( -4.290 -11.768 -7.372) 14.534 3.897 ( -0.604 3.291 -21.129) 21.392 4.555 ( 12.096 1.839 -14.379) 18.880 4.912 ( -2.999 1.489 -16.751) 17.083 5.539 ( 3.756 -4.710 12.060) 13.481 5.677 ( -5.381 3.180 20.799) 21.718 5.979 ( 1.437 7.686 3.452) 8.547 6.265 ( 0.889 6.238 11.864) 13.434 6.937 ( 4.778 -2.547 0.001) 5.414 6.964 ( -9.286 -0.386 0.274) 9.298 7.660 ( 17.502 6.020 3.808) 18.896 7.932 ( -10.580 9.965 5.661) 15.597 8.602 ( -4.430 -8.699 9.538) 13.648 8.958 ( -3.121 0.284 -5.646) 6.457 9.527 ( 9.421 13.524 -5.474) 17.367 9.902 ( -3.213 13.928 2.442) 14.501 11.122 ( 1.188 7.709 23.115) 24.395 11.887 ( -6.731 -3.056 0.755) 7.431 12.513 ( 10.203 -16.596 -11.194) 22.468 13.091 ( -6.611 6.175 -4.369) 10.046 13.734 ( -3.499 8.029 1.762) 8.933 14.034 ( -2.166 10.311 -4.205) 11.344 14.399 ( 3.399 -6.947 1.579) 7.893 15.629 ( 1.408 -1.808 -6.892) 7.263 16.919 ( 25.799 8.392 -5.887) 27.761 17.161 ( -15.469 -11.402 -4.011) 19.632 18.535 ( 6.911 0.491 11.052) 13.044 18.976 ( -0.341 10.589 0.004) 10.594 20.065 ( 1.993 -4.805 13.024) 14.024 22.767 ( -17.383 -6.113 -16.024) 24.419 23.436 ( 5.095 -5.298 -2.190) 7.670 23.923 ( -2.075 0.914 -1.925) 2.974 ======================= Grid point 215 (107/260) ======================= q-point: (-0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -18.812 6.445 -4.246) 20.333 2.525 ( -17.989 -14.420 18.333) 29.456 2.857 ( 8.810 -4.875 -6.412) 11.937 3.129 ( 0.610 -6.486 -5.846) 8.752 3.662 ( -6.594 -10.225 -2.390) 12.399 3.892 ( 1.123 9.410 -20.948) 22.992 4.736 ( 3.958 4.652 -11.211) 12.767 4.888 ( 2.438 1.974 -16.698) 16.991 5.386 ( -15.363 5.260 19.224) 25.165 5.705 ( 5.911 -4.963 12.540) 14.726 5.982 ( -2.072 7.247 5.851) 9.542 6.303 ( 0.852 0.414 11.547) 11.586 6.828 ( -1.676 -4.362 -4.206) 6.287 7.185 ( 17.115 2.711 1.968) 17.440 7.730 ( -8.604 2.570 3.812) 9.756 8.020 ( 15.720 7.282 5.862) 18.289 8.317 ( -18.927 -8.786 2.943) 21.074 9.003 ( 4.625 -0.937 2.474) 5.328 9.692 ( 2.582 12.065 1.040) 12.382 9.909 ( 6.680 17.401 -11.164) 21.727 11.153 ( 0.313 11.367 26.733) 29.051 11.777 ( -3.322 -3.778 -1.130) 5.156 12.678 ( 5.739 -16.174 -7.122) 18.581 12.914 ( -10.383 4.885 -7.337) 13.620 13.695 ( -0.487 6.174 -1.660) 6.412 14.141 ( 13.206 14.489 -2.966) 19.827 14.461 ( 2.222 -9.706 1.871) 10.132 15.625 ( -1.072 -5.838 -4.005) 7.161 16.953 ( -4.098 -6.527 -7.282) 10.603 17.409 ( 18.494 11.358 2.820) 21.885 18.432 ( -6.577 3.563 7.122) 10.328 19.209 ( 13.964 3.234 -1.601) 14.423 20.135 ( 4.679 -8.861 19.979) 22.351 22.372 ( -20.111 -8.895 -20.266) 29.905 23.484 ( -0.954 4.532 -3.860) 6.029 23.904 ( 0.954 -2.686 -1.868) 3.408 ======================= Grid point 216 (108/260) ======================= q-point: (-0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -16.121 13.192 2.983) 21.043 2.104 ( -20.476 -6.270 21.907) 30.635 3.061 ( 3.437 -7.094 -17.331) 19.040 3.151 ( 7.202 -4.023 3.046) 8.794 3.519 ( -6.805 -2.739 1.458) 7.479 3.916 ( 1.674 11.859 -17.591) 21.281 4.680 ( -9.221 9.535 -1.584) 13.359 4.966 ( 3.945 5.564 -14.009) 15.581 5.103 ( -9.889 7.112 10.428) 16.035 5.779 ( -2.357 2.151 8.383) 8.970 5.971 ( 4.286 -5.084 9.698) 11.758 6.305 ( -0.813 -3.222 12.189) 12.633 6.889 ( 6.894 -8.000 -10.155) 14.651 7.458 ( -4.065 -3.958 7.555) 9.448 7.677 ( 12.683 -0.017 -3.039) 13.042 7.919 ( -14.358 -3.743 -2.173) 14.996 8.328 ( 11.744 7.609 10.142) 17.283 9.087 ( 2.896 -1.755 3.253) 4.695 9.651 ( -4.048 15.986 -5.721) 17.455 10.123 ( 11.809 11.505 -10.294) 19.436 11.143 ( -2.402 15.255 20.033) 25.295 11.762 ( 1.730 -5.134 5.431) 7.671 12.631 ( -13.328 -4.955 -7.170) 15.925 12.807 ( 5.260 -2.971 -5.837) 8.400 13.704 ( 1.398 3.652 -3.374) 5.165 14.437 ( 2.966 -5.113 0.793) 5.964 14.589 ( 20.701 8.809 -3.269) 22.733 15.590 ( -2.128 -6.958 -1.453) 7.419 16.957 ( 3.015 0.126 -9.385) 9.859 17.582 ( 1.311 5.794 22.022) 22.809 18.544 ( 16.740 3.817 -4.097) 17.651 19.353 ( -1.458 -4.743 -6.520) 8.194 20.312 ( 11.394 -7.357 26.995) 30.211 21.906 ( -24.504 -10.075 -21.586) 34.174 23.411 ( -4.565 9.418 -7.219) 12.714 23.957 ( 3.540 -2.788 -1.656) 4.800 ======================= Grid point 217 (109/260) ======================= q-point: (-0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -5.742 18.622 16.663) 25.640 1.752 ( -13.559 4.658 23.006) 27.107 3.017 ( -4.324 -6.656 -5.143) 9.459 3.317 ( 0.678 -1.075 8.642) 8.735 3.448 ( 5.064 9.508 -5.871) 12.268 3.928 ( -0.563 11.876 -9.785) 15.398 4.392 ( -15.598 9.246 6.117) 19.136 4.969 ( -3.514 11.160 -5.137) 12.778 5.047 ( 2.744 5.895 -10.481) 12.334 5.694 ( -3.634 5.110 6.401) 8.960 6.108 ( 5.515 -10.036 12.839) 17.204 6.283 ( -1.621 -6.890 12.690) 14.531 7.059 ( 9.129 -10.113 -13.416) 19.120 7.187 ( -16.872 -11.825 5.816) 21.408 7.697 ( -1.835 0.778 -8.043) 8.286 8.081 ( 15.803 1.895 -2.602) 16.128 8.528 ( 7.134 6.747 12.095) 15.579 9.124 ( 1.083 -1.287 -1.190) 2.061 9.557 ( -4.564 15.940 -7.771) 18.311 10.346 ( 10.029 7.952 -8.679) 15.464 11.084 ( -3.367 14.142 8.674) 16.928 11.839 ( 4.733 -5.182 15.662) 17.163 12.329 ( -14.437 -3.040 -9.362) 17.473 12.967 ( 10.152 -0.678 -4.015) 10.938 13.749 ( 3.165 -1.286 -3.817) 5.122 14.411 ( -3.025 -9.706 5.445) 11.533 15.056 ( 19.035 13.983 -10.794) 25.968 15.542 ( -2.218 -4.892 -1.430) 5.558 16.964 ( -2.226 -3.473 0.628) 4.173 17.819 ( 25.022 -0.484 24.574) 35.075 18.925 ( 13.703 6.576 -12.913) 19.944 19.168 ( -11.690 -11.638 -4.380) 17.067 20.564 ( 9.575 -5.575 25.056) 27.396 21.334 ( -29.282 -7.233 -16.373) 34.319 23.347 ( -0.037 10.860 -8.595) 13.849 24.022 ( 2.514 -0.787 -2.473) 3.613 ======================= Grid point 218 (110/260) ======================= q-point: (-0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -1.692 16.324 22.100) 27.528 1.651 ( 4.405 16.326 26.317) 31.281 2.874 ( -9.450 8.140 9.296) 15.555 3.292 ( 0.160 0.638 7.843) 7.871 3.623 ( 8.598 11.281 -3.275) 14.557 3.849 ( -6.747 7.389 6.934) 12.174 4.163 ( -5.257 3.829 -6.497) 9.193 4.858 ( -6.539 13.026 -10.874) 18.185 5.136 ( 6.695 6.117 -6.913) 11.403 5.645 ( -2.463 4.687 4.084) 6.687 6.122 ( -4.211 -6.408 19.345) 20.810 6.294 ( 1.801 -11.173 6.814) 13.211 6.881 ( -11.618 -5.431 5.498) 13.953 7.228 ( 7.669 -9.964 -12.073) 17.431 7.777 ( 9.430 -1.927 -11.139) 14.721 8.256 ( 0.314 1.374 -10.251) 10.348 8.635 ( 2.233 6.157 12.919) 14.484 9.165 ( 3.505 4.232 -8.385) 10.025 9.457 ( -4.660 9.879 -0.900) 10.961 10.530 ( 8.214 6.352 -6.775) 12.399 11.031 ( -1.712 7.291 0.476) 7.505 11.940 ( 2.469 -8.198 17.726) 19.686 12.067 ( -8.413 -0.586 -8.302) 11.834 13.208 ( 12.893 3.991 -3.885) 14.045 13.832 ( 4.888 -8.354 -2.985) 10.129 14.344 ( -3.423 -7.525 7.340) 11.055 15.254 ( 1.453 8.796 -8.017) 11.989 15.487 ( -4.322 0.179 -4.663) 6.360 16.931 ( -2.470 -17.933 5.663) 18.968 18.445 ( -2.208 3.732 -2.854) 5.191 18.702 ( 10.980 -11.050 -4.412) 16.190 19.332 ( 11.953 0.992 -3.085) 12.384 20.650 ( -1.953 -3.845 12.880) 13.583 20.817 ( -14.127 -1.509 8.130) 16.369 23.433 ( 8.613 12.023 -7.495) 16.580 24.049 ( 0.040 0.372 -3.690) 3.709 ======================= Grid point 219 (111/260) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 5.291 15.557 9.459) 18.960 2.118 ( 5.168 16.318 20.623) 26.801 2.848 ( 1.862 -4.080 1.400) 4.698 3.311 ( 0.430 -0.881 15.024) 15.056 3.785 ( -7.627 10.945 11.588) 17.671 4.163 ( -0.458 1.483 -8.278) 8.422 4.213 ( 4.060 26.760 8.491) 28.367 4.854 ( -7.461 1.406 -14.227) 16.126 5.334 ( 1.801 0.391 -0.873) 2.039 5.725 ( 2.031 8.688 1.703) 9.083 5.800 ( -5.657 -16.753 13.198) 22.065 6.171 ( 4.001 -7.007 4.207) 9.100 6.747 ( -3.746 2.697 0.947) 4.712 7.237 ( 10.002 -6.492 -6.560) 13.610 8.057 ( 14.591 1.012 -7.525) 16.448 8.099 ( -7.821 -0.702 -14.679) 16.647 8.715 ( -6.812 4.989 12.255) 14.882 9.241 ( 6.408 -7.875 14.208) 17.462 9.662 ( -6.646 24.767 -18.653) 31.710 10.672 ( 3.961 -5.019 -9.114) 11.133 11.050 ( -7.036 3.992 -4.018) 9.032 11.632 ( -5.978 -10.679 1.665) 12.351 12.137 ( 5.606 3.593 14.566) 16.016 13.521 ( 6.763 -9.967 0.373) 12.051 13.728 ( 8.784 0.585 -7.990) 11.889 14.190 ( 1.256 -6.175 7.806) 10.032 15.292 ( -11.925 7.564 2.937) 14.424 15.400 ( -4.226 3.061 -2.805) 5.924 16.252 ( -21.537 -17.789 -9.587) 29.533 18.042 ( -13.622 5.144 -10.435) 17.914 19.242 ( 12.903 3.322 -4.368) 14.022 19.294 ( -10.578 -5.198 -10.924) 16.070 20.613 ( -3.383 0.795 14.148) 14.568 20.872 ( 27.028 -6.072 16.771) 32.383 23.769 ( 8.669 2.484 -2.349) 9.318 24.046 ( -2.520 1.955 -6.190) 6.963 ======================= Grid point 220 (112/260) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 8.292 11.833 9.720) 17.414 2.225 ( 5.093 17.669 17.936) 25.687 2.889 ( 2.086 -1.011 -0.422) 2.357 3.285 ( -2.218 1.191 7.445) 7.859 3.676 ( -3.543 0.105 17.718) 18.069 4.172 ( 1.431 1.747 -9.299) 9.570 4.291 ( -0.035 16.281 6.144) 17.401 4.778 ( 2.620 4.521 -9.709) 11.026 5.330 ( -1.613 -3.662 -1.603) 4.310 5.641 ( -4.851 -6.978 8.168) 11.787 5.867 ( 5.986 3.143 0.980) 6.832 6.264 ( 4.620 -6.639 4.234) 9.130 6.687 ( -1.885 2.789 0.322) 3.382 7.444 ( 9.545 -2.425 -2.421) 10.142 7.791 ( -15.046 -2.316 -13.270) 20.195 8.357 ( -0.425 6.210 -1.371) 6.373 8.617 ( 6.412 1.800 4.451) 8.010 9.311 ( -3.038 -1.794 13.551) 14.003 9.531 ( -2.362 21.051 -15.483) 26.238 10.666 ( -4.862 -7.990 -11.678) 14.961 10.982 ( 0.586 0.323 -2.508) 2.596 11.546 ( -2.378 -11.727 5.845) 13.317 12.265 ( 5.946 5.994 12.292) 14.912 13.648 ( 6.004 -15.332 4.643) 17.107 13.881 ( 3.862 6.112 -9.438) 11.889 14.247 ( 2.528 -4.708 4.478) 6.972 14.992 ( -9.542 6.849 6.306) 13.331 15.439 ( 2.107 4.463 -3.042) 5.798 15.717 ( -23.039 -6.189 -15.884) 28.660 17.852 ( -6.974 6.703 -1.453) 9.781 18.969 ( -19.042 -11.763 -9.676) 24.384 19.282 ( -3.153 3.753 -2.164) 5.358 20.547 ( -3.682 6.938 10.939) 13.467 21.611 ( 36.470 -14.918 10.148) 40.689 23.894 ( 1.607 0.314 0.024) 1.638 23.963 ( -3.690 2.180 -8.824) 9.809 ======================= Grid point 221 (113/260) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.832 15.989 18.241) 24.270 2.410 ( 12.208 12.013 5.907) 18.118 2.939 ( 2.729 -1.697 -4.187) 5.278 3.282 ( 1.344 -7.572 3.192) 8.326 3.596 ( -4.809 -4.300 12.198) 13.799 4.154 ( -8.401 -4.770 -11.816) 15.263 4.255 ( 3.604 8.681 -0.923) 9.445 4.939 ( 10.458 12.204 2.253) 16.228 5.283 ( -2.613 -5.350 -3.805) 7.066 5.582 ( -0.983 -2.375 5.726) 6.277 5.979 ( 4.267 1.527 0.182) 4.535 6.354 ( 3.497 -5.552 6.365) 9.142 6.690 ( 3.051 2.322 0.289) 3.845 7.465 ( -13.190 -0.914 -8.505) 15.720 7.610 ( 2.513 0.420 -1.243) 2.835 8.176 ( -8.664 0.407 8.673) 12.266 8.877 ( 12.345 8.515 -3.325) 15.361 9.133 ( -11.834 9.963 3.380) 15.834 9.560 ( 3.071 8.536 -2.962) 9.543 10.484 ( -11.313 -7.733 -7.841) 15.788 11.025 ( 2.842 -0.419 -2.169) 3.600 11.549 ( 2.498 -12.787 5.370) 14.092 12.375 ( 3.557 6.809 8.258) 11.278 13.704 ( -5.260 -5.070 5.010) 8.858 13.872 ( -0.437 0.322 -1.639) 1.726 14.238 ( -1.649 -2.945 7.050) 7.816 14.907 ( -8.313 10.431 -20.198) 24.205 15.288 ( 0.945 2.408 -1.610) 3.047 15.721 ( 14.658 2.266 -4.126) 15.396 17.709 ( -6.351 2.677 3.878) 7.908 18.509 ( -24.273 -13.914 -6.389) 28.699 19.249 ( 0.610 1.841 -2.312) 3.018 20.455 ( -6.072 9.734 10.410) 15.492 22.254 ( 24.986 -16.481 6.091) 30.546 23.758 ( -10.535 1.859 -10.313) 14.859 23.971 ( 1.231 -0.583 -0.510) 1.455 ======================= Grid point 222 (114/260) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.901 13.543 16.220) 21.150 2.671 ( 11.663 4.584 1.435) 12.613 2.967 ( -1.067 -1.635 -8.841) 9.054 3.245 ( -6.628 -14.775 11.258) 19.722 3.587 ( 5.157 -7.403 -0.429) 9.032 3.929 ( -10.941 -5.518 -8.489) 14.907 4.354 ( 4.962 6.748 -14.334) 16.602 5.075 ( -0.720 4.128 -10.666) 11.460 5.276 ( 4.569 -1.397 10.862) 11.867 5.617 ( 4.158 3.036 8.381) 9.836 6.035 ( 1.456 3.136 0.500) 3.494 6.394 ( -0.163 -3.062 9.336) 9.827 6.836 ( 9.897 1.009 -0.148) 9.950 7.217 ( -8.618 -0.131 -5.317) 10.127 7.519 ( -10.460 -0.311 3.865) 11.156 8.163 ( 6.127 1.516 9.503) 11.408 8.848 ( -14.553 8.542 6.660) 18.141 9.090 ( 6.778 9.564 -4.999) 12.744 9.604 ( 0.981 8.483 -5.529) 10.174 10.248 ( -9.675 -3.196 1.525) 10.303 11.078 ( 2.069 -1.462 -0.173) 2.539 11.650 ( 7.035 -13.388 0.443) 15.130 12.394 ( -2.233 7.378 3.704) 8.552 13.473 ( -12.703 0.359 2.354) 12.924 13.906 ( 1.372 -0.682 5.802) 6.001 14.234 ( 0.541 -0.904 3.252) 3.418 14.628 ( -13.278 8.368 -11.803) 19.638 15.471 ( 9.935 4.916 -8.551) 14.000 16.120 ( 22.188 7.063 -10.598) 25.583 17.604 ( -7.141 -10.042 6.762) 14.055 18.061 ( -12.957 -5.972 -1.216) 14.318 19.278 ( 1.402 1.006 -2.813) 3.300 20.302 ( -9.059 8.986 11.356) 17.081 22.672 ( 16.130 -14.734 6.213) 22.712 23.489 ( -14.683 0.135 -14.943) 20.950 23.990 ( 0.724 0.060 -0.101) 0.733 ======================= Grid point 223 (115/260) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 4.034 4.255 11.778) 13.156 2.824 ( -7.559 -5.742 -8.628) 12.828 2.869 ( 1.890 0.521 1.115) 2.255 3.087 ( -8.033 -12.470 9.166) 17.437 3.705 ( -1.190 -8.744 -5.746) 10.530 3.771 ( 2.310 -5.121 -9.779) 11.278 4.449 ( 5.621 6.621 -20.939) 22.668 4.974 ( -5.657 -4.300 -19.081) 20.361 5.410 ( 5.780 1.323 15.438) 16.538 5.730 ( 4.550 4.656 15.381) 16.702 6.068 ( 2.133 5.779 1.647) 6.376 6.365 ( -2.558 -0.947 10.375) 10.728 6.921 ( -2.016 2.280 0.076) 3.045 7.173 ( -4.808 1.906 1.642) 5.427 7.391 ( 8.761 -0.840 1.669) 8.958 8.296 ( 1.044 6.438 10.811) 12.626 8.558 ( -10.551 0.905 8.931) 13.853 9.114 ( -5.123 2.997 -5.908) 8.374 9.641 ( 4.779 13.117 -7.785) 15.985 10.133 ( -1.769 4.433 7.377) 8.786 11.109 ( 1.061 -3.260 4.902) 5.982 11.827 ( 9.522 -11.193 -3.473) 15.100 12.301 ( -5.758 7.447 0.410) 9.422 13.244 ( -9.603 -4.214 -2.558) 10.795 13.911 ( -1.236 3.400 7.750) 8.553 14.250 ( 0.840 -1.292 -0.372) 1.585 14.404 ( -7.578 11.703 -3.031) 14.268 15.597 ( 2.238 1.069 -10.708) 10.991 16.575 ( 22.632 8.618 -11.839) 26.956 17.284 ( -19.064 -13.777 -0.231) 23.522 18.171 ( 17.914 -0.971 8.145) 19.702 19.267 ( -3.061 4.442 -2.359) 5.887 20.109 ( -9.345 3.567 12.986) 16.392 22.923 ( 3.445 -8.749 7.247) 11.872 23.188 ( -8.394 -5.143 -18.495) 20.951 23.995 ( -0.531 1.391 -1.556) 2.153 ======================= Grid point 224 (116/260) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 5.637 -5.065 9.319) 12.011 2.546 ( -15.272 -4.466 -3.412) 16.274 2.824 ( -8.158 -5.735 8.613) 13.177 2.997 ( -0.338 -4.933 -8.757) 10.056 3.613 ( -4.079 -4.907 -5.798) 8.622 3.896 ( 6.325 -4.056 -12.343) 14.450 4.584 ( 8.277 2.099 -19.166) 20.983 4.879 ( -2.070 -4.250 -20.820) 21.350 5.505 ( 2.430 0.755 13.113) 13.358 5.756 ( -3.303 4.323 20.150) 20.871 6.108 ( 0.777 5.366 2.534) 5.985 6.332 ( -0.410 1.037 10.108) 10.169 6.935 ( 0.335 2.604 2.751) 3.803 6.993 ( -3.421 1.828 1.903) 4.320 7.754 ( 20.230 3.579 0.935) 20.566 8.069 ( -17.438 4.199 9.182) 20.150 8.482 ( -5.742 -3.473 10.099) 12.126 8.980 ( -3.275 1.550 -5.299) 6.419 9.781 ( 7.484 12.026 -1.336) 14.228 10.145 ( 1.869 11.247 0.079) 11.402 11.149 ( 2.988 -4.019 12.906) 13.844 11.971 ( 1.499 6.897 -2.697) 7.556 12.237 ( 2.420 -7.775 -3.978) 9.062 13.059 ( -8.244 -8.481 -8.389) 14.501 13.864 ( -3.354 5.767 6.747) 9.488 14.270 ( 1.167 -3.827 -0.701) 4.062 14.327 ( 0.516 15.284 0.956) 15.323 15.574 ( -3.018 -3.747 -10.262) 11.334 16.933 ( -6.726 -8.278 -4.883) 11.731 17.106 ( 22.478 6.995 -5.450) 24.164 18.549 ( 11.981 0.934 8.821) 14.908 19.169 ( -3.126 9.013 -1.798) 9.708 19.963 ( -4.772 -5.509 15.527) 17.152 22.659 ( -19.646 -4.776 -11.920) 23.471 23.312 ( 11.821 -6.697 -1.870) 13.714 23.956 ( -3.251 2.027 -3.502) 5.191 ======================= Grid point 225 (117/260) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -14.657 0.993 2.880) 14.970 2.331 ( -6.599 -2.485 11.297) 13.317 2.764 ( 5.451 -5.104 -1.427) 7.603 2.975 ( -1.533 -8.950 -8.749) 12.609 3.545 ( -1.956 -0.915 -2.699) 3.456 4.008 ( 5.196 1.322 -15.121) 16.043 4.751 ( 7.568 -2.148 -13.448) 15.580 4.874 ( 2.412 -2.134 -19.727) 19.988 5.481 ( -6.844 4.569 13.869) 16.127 5.672 ( -2.718 1.072 17.605) 17.845 6.099 ( -1.477 3.603 2.995) 4.912 6.331 ( -1.421 2.979 9.840) 10.379 6.792 ( -5.598 0.143 -0.779) 5.654 7.236 ( 18.196 2.087 4.085) 18.766 7.703 ( -17.714 -3.696 10.008) 20.679 8.145 ( 15.249 5.263 -0.376) 16.136 8.238 ( -13.935 -0.703 3.237) 14.323 9.009 ( 3.902 1.306 3.501) 5.402 9.904 ( 3.540 9.677 3.334) 10.830 10.195 ( 3.446 11.851 -11.964) 17.189 11.254 ( 6.159 -0.588 22.069) 22.920 11.899 ( -5.684 15.800 -5.824) 17.772 12.364 ( 6.700 -15.198 -3.032) 16.883 12.896 ( -6.799 -7.162 -11.793) 15.381 13.794 ( -3.321 4.528 3.550) 6.643 14.282 ( -0.072 -8.214 0.588) 8.235 14.453 ( 11.935 16.171 0.351) 20.101 15.500 ( -3.153 -6.922 -7.181) 10.461 16.851 ( 2.162 -3.770 -7.132) 8.352 17.629 ( 21.920 10.719 -1.221) 24.431 18.505 ( -10.130 4.007 10.669) 15.248 19.253 ( 5.967 0.720 -6.084) 8.552 19.960 ( 5.055 -8.412 21.686) 23.804 22.225 ( -21.489 -6.119 -15.213) 27.031 23.535 ( 8.230 0.782 -2.274) 8.575 23.872 ( -3.485 -0.491 -4.307) 5.562 ======================= Grid point 226 (118/260) ======================= q-point: (-0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -9.436 10.344 11.264) 17.969 2.135 ( -10.329 8.576 10.362) 16.959 2.878 ( -0.356 -11.498 -15.089) 18.974 3.014 ( 8.742 -10.715 8.045) 15.999 3.549 ( 3.025 6.977 -2.845) 8.120 4.097 ( 4.044 5.564 -15.778) 17.212 4.811 ( -2.767 3.414 -4.699) 6.434 4.975 ( 7.634 -2.623 -14.528) 16.620 5.283 ( -10.259 9.946 11.780) 18.519 5.680 ( 1.808 -7.162 11.756) 13.884 6.033 ( -5.305 5.772 6.092) 9.928 6.278 ( -3.436 0.847 9.196) 9.853 6.762 ( 2.867 -5.362 -7.874) 9.948 7.347 ( -16.138 -5.942 9.772) 19.780 7.675 ( 21.598 0.504 4.073) 21.985 7.906 ( -13.801 0.209 -3.325) 14.197 8.453 ( 11.395 4.843 4.543) 13.189 9.084 ( 2.521 1.293 6.607) 7.189 9.919 ( -1.624 12.302 -3.701) 12.949 10.289 ( 6.111 5.127 -12.491) 14.821 11.388 ( 4.357 7.887 24.606) 26.203 11.785 ( -4.021 8.678 -6.729) 11.694 12.403 ( -5.110 -12.910 -2.469) 14.102 12.832 ( 3.626 0.115 -11.019) 11.601 13.733 ( -2.823 0.050 0.468) 2.862 14.267 ( -1.505 -9.090 2.337) 9.506 14.812 ( 21.911 10.856 -4.362) 24.839 15.447 ( -1.559 -7.712 -4.617) 9.123 17.013 ( 11.658 5.384 -8.726) 15.525 17.705 ( -12.453 6.719 16.179) 21.494 18.606 ( 20.790 2.461 0.820) 20.951 19.219 ( -8.826 -8.850 -9.356) 15.613 20.193 ( 14.232 -4.440 25.127) 29.217 21.756 ( -23.445 -5.564 -14.457) 28.100 23.570 ( -3.631 7.131 -7.785) 11.164 23.895 ( 5.513 -3.562 -1.765) 6.796 ======================= Grid point 227 (119/260) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -2.966 17.978 16.395) 24.511 1.971 ( -4.534 15.279 13.027) 20.584 2.836 ( -1.688 -11.218 -7.562) 13.634 3.182 ( 5.506 -11.397 11.300) 16.967 3.673 ( 8.470 13.374 -6.008) 16.932 4.157 ( 2.219 9.109 -13.373) 16.332 4.620 ( -14.688 13.610 9.822) 22.304 5.111 ( 0.397 1.992 0.018) 2.032 5.156 ( 2.347 6.553 -10.965) 12.988 5.694 ( -2.317 -6.914 8.154) 10.939 5.972 ( 1.789 -1.862 7.974) 8.382 6.179 ( -7.304 -3.388 12.371) 14.760 6.883 ( 8.408 -8.049 -13.398) 17.748 7.047 ( -12.490 -3.314 6.054) 14.270 7.684 ( -5.127 -1.638 -5.278) 7.538 8.106 ( 16.720 0.837 1.793) 16.837 8.629 ( 5.975 3.243 7.543) 10.155 9.113 ( 0.151 0.441 7.251) 7.266 9.860 ( -3.279 15.437 -11.520) 19.539 10.422 ( 6.972 -0.120 -9.563) 11.836 11.389 ( -5.201 16.409 6.675) 18.462 11.778 ( 2.798 -1.090 10.202) 10.635 12.191 ( -12.217 -10.077 -4.782) 16.543 13.020 ( 13.018 4.825 -7.595) 15.825 13.675 ( -2.629 -5.868 -0.868) 6.488 14.227 ( -2.221 -8.726 5.173) 10.385 15.240 ( 13.889 4.689 -8.515) 16.952 15.466 ( 6.521 -2.745 -8.842) 11.325 16.965 ( -18.946 3.727 9.049) 21.325 17.809 ( 28.730 -0.803 12.307) 31.265 18.918 ( -18.846 -9.749 -14.405) 25.646 19.068 ( 19.988 4.193 -4.186) 20.848 20.472 ( 9.948 -3.681 23.696) 25.962 21.246 ( -24.802 -2.610 -7.874) 26.153 23.506 ( -0.185 5.860 -8.432) 10.270 24.008 ( 4.488 -0.644 -2.568) 5.211 ======================= Grid point 228 (120/260) ======================= q-point: (-0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -1.076 17.862 12.094) 21.598 1.998 ( 4.724 18.616 20.076) 27.784 2.820 ( 0.480 -8.568 -1.182) 8.663 3.266 ( 2.690 -6.615 14.939) 16.558 3.831 ( 4.915 12.627 -4.230) 14.195 4.176 ( 0.481 14.378 -6.442) 15.763 4.301 ( -14.074 17.294 11.780) 25.217 5.019 ( -6.619 3.278 -8.094) 10.958 5.262 ( 4.784 6.475 -6.055) 10.073 5.666 ( 1.162 -4.842 4.312) 6.587 5.980 ( -9.535 -7.089 16.248) 20.129 6.083 ( 4.228 -8.614 5.917) 11.274 6.850 ( -6.831 1.202 3.222) 7.648 7.054 ( 8.272 -7.941 -12.198) 16.741 7.734 ( 10.570 -2.217 -7.670) 13.246 8.269 ( -1.812 0.210 -8.167) 8.368 8.744 ( 3.829 4.843 13.138) 14.516 9.128 ( 2.350 -4.537 9.350) 10.655 9.779 ( -4.115 19.795 -15.642) 25.563 10.560 ( 6.578 -2.921 -8.515) 11.150 11.231 ( -9.104 12.357 -2.726) 15.589 11.777 ( -6.149 -8.020 4.905) 11.234 12.043 ( 0.850 -1.936 8.529) 8.787 13.305 ( 13.699 4.763 -6.003) 15.696 13.640 ( 0.049 -10.243 -1.537) 10.358 14.191 ( -1.361 -7.656 7.537) 10.829 15.329 ( 0.654 -0.147 -3.112) 3.183 15.600 ( -1.994 10.316 -15.203) 18.480 16.581 ( -15.057 -17.260 12.939) 26.306 18.454 ( -23.097 -2.837 -15.250) 27.822 18.613 ( 41.792 0.835 1.650) 41.833 19.353 ( 6.429 1.181 -8.354) 10.608 20.594 ( 1.887 -2.180 17.192) 17.432 20.802 ( -14.778 -0.138 7.952) 16.782 23.586 ( 7.752 4.662 -5.666) 10.674 24.064 ( 1.002 1.047 -4.140) 4.386 ======================= Grid point 229 (121/260) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 2.003 7.807 3.421) 8.756 2.365 ( 4.751 7.059 11.920) 14.645 2.750 ( 3.240 -3.058 5.370) 6.977 3.221 ( 4.518 -5.215 20.480) 21.611 4.039 ( -4.343 10.011 -2.374) 11.168 4.187 ( -7.723 0.936 -0.994) 7.842 4.761 ( -1.939 26.781 9.675) 28.541 4.805 ( -5.607 -2.074 -7.743) 9.783 5.292 ( -2.582 -12.527 4.503) 13.559 5.427 ( -2.152 -12.648 7.815) 15.022 5.886 ( 3.084 6.484 -1.077) 7.260 6.078 ( 4.781 -3.367 1.017) 5.936 6.786 ( -3.981 1.060 -0.471) 4.146 7.141 ( 11.884 -2.912 -5.046) 13.235 8.067 ( -8.584 0.194 -9.680) 12.939 8.095 ( 18.236 0.106 -9.177) 20.416 8.804 ( -11.415 3.542 12.400) 17.223 9.107 ( 9.096 -4.871 16.624) 19.566 10.118 ( -3.347 21.560 -18.955) 28.902 10.488 ( 1.254 -13.983 -12.763) 18.973 11.118 ( -12.798 2.227 -4.640) 13.794 11.488 ( -6.032 -3.879 3.067) 7.800 12.205 ( 8.528 2.657 17.077) 19.272 13.288 ( 1.062 -8.523 2.982) 9.092 13.815 ( 13.766 4.134 -10.388) 17.734 14.084 ( 1.189 -3.917 7.911) 8.907 15.378 ( 1.811 1.406 -0.220) 2.303 15.525 ( -23.465 7.895 14.938) 28.915 15.962 ( -10.406 -11.069 -26.432) 30.487 18.111 ( -10.049 1.919 -8.300) 13.174 19.215 ( -15.508 -2.419 -14.296) 21.230 19.286 ( 14.820 1.204 -5.620) 15.896 20.629 ( 1.611 0.622 14.142) 14.247 20.798 ( 18.398 -1.864 17.118) 25.199 23.790 ( 7.052 0.297 -0.751) 7.099 24.075 ( -2.157 0.826 -6.205) 6.620 ======================= Grid point 230 (122/260) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 6.784 5.407 5.946) 10.517 2.495 ( 6.926 8.729 11.494) 16.008 2.807 ( 2.647 -4.020 -0.138) 4.816 3.273 ( -1.253 -2.603 18.219) 18.447 3.805 ( -14.302 9.869 8.905) 19.526 4.117 ( -1.060 -5.011 -9.840) 11.093 4.521 ( -11.428 3.307 -4.562) 12.742 4.954 ( 9.946 17.296 7.526) 21.324 5.267 ( -0.831 -5.839 -1.766) 6.157 5.390 ( 0.346 -14.237 8.674) 16.675 5.967 ( 3.479 5.044 -1.685) 6.355 6.174 ( 4.506 -3.123 -0.472) 5.503 6.723 ( -1.735 0.934 -0.308) 1.994 7.406 ( 12.860 -1.238 -0.724) 12.940 7.761 ( -15.302 -0.775 -11.815) 19.348 8.441 ( -6.579 2.284 3.901) 7.982 8.646 ( 12.784 0.946 2.363) 13.035 9.251 ( 2.995 -2.067 17.002) 17.388 9.974 ( -8.482 21.112 -20.038) 30.318 10.437 ( -5.306 -14.767 -15.968) 22.388 10.992 ( -0.211 0.406 -1.390) 1.463 11.385 ( -3.905 -4.485 9.388) 11.113 12.371 ( 6.747 3.837 12.458) 14.678 13.410 ( 9.977 -7.544 6.716) 14.197 13.999 ( 2.638 5.910 -8.227) 10.468 14.137 ( 2.243 -6.051 4.125) 7.659 15.124 ( -7.380 4.967 15.543) 17.909 15.505 ( 4.956 2.298 -3.760) 6.631 15.605 ( -19.061 -4.456 -30.345) 36.111 17.955 ( -6.956 3.378 1.340) 7.848 18.791 ( -23.185 -5.571 -14.347) 27.828 19.333 ( -3.702 1.454 -2.292) 4.590 20.647 ( -0.931 2.958 11.436) 11.849 21.415 ( 33.412 -5.346 11.104) 35.613 23.897 ( 3.059 0.071 1.242) 3.302 23.985 ( -6.134 0.435 -8.498) 10.490 ======================= Grid point 231 (123/260) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 6.216 6.239 11.081) 14.155 2.638 ( 5.992 10.057 8.212) 14.299 2.871 ( 3.632 -4.372 -5.399) 7.840 3.176 ( -7.994 -3.955 11.426) 14.495 3.557 ( -9.115 0.230 7.119) 11.568 4.041 ( -7.272 -4.853 -10.443) 13.620 4.386 ( 0.192 3.843 -6.904) 7.904 5.154 ( 7.187 9.116 6.298) 13.207 5.212 ( -3.547 -1.648 -6.419) 7.517 5.479 ( 6.979 -7.017 12.070) 15.609 6.034 ( 3.700 3.392 -1.943) 5.382 6.262 ( 3.794 -3.750 0.827) 5.398 6.726 ( 2.562 1.126 1.405) 3.131 7.451 ( -13.543 -0.418 -9.485) 16.539 7.616 ( 4.593 0.122 2.522) 5.241 8.179 ( -10.042 0.020 11.735) 15.445 8.996 ( 14.410 3.442 -2.761) 15.071 9.213 ( -7.695 0.685 13.150) 15.252 9.840 ( -2.266 16.084 -13.465) 21.098 10.276 ( -8.966 -12.547 -14.643) 21.266 11.027 ( 2.234 0.486 -1.599) 2.790 11.359 ( 1.314 -5.936 9.384) 11.182 12.485 ( 3.613 3.556 7.746) 9.257 13.630 ( 7.265 -2.124 11.933) 14.131 13.891 ( -9.944 1.232 -4.194) 10.862 14.158 ( 1.034 -3.682 7.981) 8.850 15.099 ( -14.857 7.334 -25.698) 30.576 15.298 ( 10.279 -1.072 -4.011) 11.085 15.746 ( 16.812 0.533 -4.067) 17.305 17.759 ( -12.640 1.948 6.519) 14.355 18.306 ( -21.606 -6.209 -10.013) 24.610 19.277 ( -0.754 0.835 -1.933) 2.236 20.587 ( -5.550 3.705 11.125) 12.972 22.033 ( 25.087 -6.115 6.869) 26.719 23.789 ( -11.511 1.052 -10.926) 15.906 23.952 ( 1.646 -0.905 1.186) 2.222 ======================= Grid point 232 (124/260) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -0.799 12.564 14.189) 18.969 2.723 ( 0.243 -0.107 7.063) 7.068 2.936 ( 2.059 -1.814 -9.603) 9.988 2.994 ( -7.914 -8.860 5.014) 12.894 3.475 ( 1.276 -3.525 2.027) 4.262 3.854 ( -8.809 -2.091 -7.129) 11.524 4.462 ( 5.459 3.640 -15.588) 16.913 5.050 ( -8.464 -2.814 -18.372) 20.423 5.317 ( 5.986 2.354 13.345) 14.814 5.654 ( 8.420 0.898 15.915) 18.027 6.113 ( 3.439 4.094 -1.059) 5.451 6.316 ( 1.007 -4.003 3.932) 5.701 6.866 ( 10.875 1.343 1.703) 11.089 7.216 ( -7.613 -0.042 -5.082) 9.153 7.506 ( -12.572 -0.596 6.360) 14.102 8.185 ( 7.827 0.657 11.621) 14.026 8.958 ( -15.971 2.877 10.400) 19.275 9.197 ( 3.816 2.245 -2.917) 5.302 9.848 ( 1.818 15.104 -9.777) 18.084 10.113 ( -3.872 -11.002 -5.722) 12.992 11.053 ( 0.152 -0.506 -1.674) 1.755 11.449 ( 6.976 -6.373 4.370) 10.410 12.522 ( -0.185 4.357 3.795) 5.781 13.473 ( -16.590 -0.159 1.500) 16.659 13.896 ( 5.300 -0.043 9.145) 10.570 14.184 ( 0.872 -2.574 6.708) 7.237 14.786 ( -11.452 5.496 -16.569) 20.878 15.533 ( 8.147 1.546 -8.719) 12.033 16.220 ( 26.327 2.870 -15.191) 30.530 17.448 ( -17.513 -4.833 6.807) 19.401 17.993 ( -5.078 -1.593 0.024) 5.322 19.293 ( 1.778 0.424 -2.342) 2.971 20.424 ( -10.713 3.411 11.985) 16.433 22.471 ( 17.863 -5.648 6.624) 19.871 23.490 ( -16.570 0.004 -14.113) 21.766 23.988 ( 1.758 -0.167 -0.040) 1.766 ======================= Grid point 233 (125/260) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -5.885 10.901 13.762) 18.516 2.605 ( -9.049 -14.518 10.034) 19.833 2.885 ( -2.993 0.672 -5.655) 6.434 2.970 ( -0.329 -1.511 -9.748) 9.870 3.570 ( 6.070 -4.215 -1.255) 7.496 3.708 ( -4.166 -1.605 -5.176) 6.835 4.560 ( 4.844 4.176 -22.351) 23.248 4.873 ( -6.781 -4.387 -21.782) 23.231 5.439 ( 5.245 1.069 14.525) 15.480 5.800 ( 4.139 2.154 17.531) 18.141 6.180 ( 3.094 5.513 2.311) 6.731 6.303 ( -1.866 -4.527 6.109) 7.829 6.977 ( -1.629 2.170 0.545) 2.768 7.219 ( -9.032 2.415 5.131) 10.665 7.352 ( 16.278 -2.379 0.250) 16.453 8.373 ( 7.356 1.831 13.887) 15.821 8.578 ( -20.430 0.798 10.472) 22.971 9.147 ( -7.308 0.741 -7.301) 10.356 9.878 ( 2.403 9.137 -3.499) 10.075 10.164 ( 7.122 -0.910 0.056) 7.180 11.038 ( -0.942 -2.530 0.309) 2.717 11.643 ( 11.476 -6.020 -0.401) 12.965 12.487 ( -3.189 7.998 1.376) 8.720 13.126 ( -16.015 -5.601 -3.853) 17.398 13.970 ( 1.136 2.366 9.601) 9.953 14.194 ( -0.177 -2.646 4.108) 4.889 14.620 ( -4.295 7.277 -6.826) 10.863 15.599 ( -1.263 -0.404 -11.673) 11.748 16.711 ( 22.205 4.762 -15.663) 27.588 17.081 ( -16.392 -6.550 1.782) 17.741 18.158 ( 18.450 -0.348 7.648) 19.975 19.322 ( 0.571 1.354 -2.328) 2.753 20.162 ( -14.767 1.590 13.964) 20.386 22.792 ( 10.794 -3.941 9.105) 14.661 23.124 ( -14.989 -1.625 -18.184) 23.622 24.014 ( 0.424 0.516 -2.365) 2.457 ======================= Grid point 234 (126/260) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -4.380 -2.694 13.798) 14.725 2.454 ( -5.769 -3.261 6.640) 9.381 2.799 ( -4.829 1.185 -4.902) 6.982 2.914 ( -4.422 -3.324 -11.896) 13.119 3.604 ( -0.920 3.628 -3.514) 5.133 3.764 ( 7.724 -8.020 -4.717) 12.092 4.649 ( 4.855 4.127 -22.733) 23.609 4.781 ( -0.762 -5.048 -23.214) 23.769 5.534 ( 2.839 1.304 14.562) 14.893 5.818 ( -3.326 1.793 17.519) 17.921 6.176 ( -3.251 1.749 3.093) 4.815 6.333 ( 4.205 -0.285 7.960) 9.007 6.993 ( -2.602 2.544 4.204) 5.560 7.016 ( -1.208 0.230 3.338) 3.557 7.797 ( 22.241 1.057 -0.896) 22.284 8.107 ( -23.122 0.533 11.451) 25.808 8.456 ( -3.998 -0.088 11.074) 11.774 9.004 ( -3.005 0.749 -5.525) 6.334 9.951 ( 4.205 4.912 4.157) 7.687 10.310 ( 5.242 5.098 -5.396) 9.088 11.060 ( 4.116 -3.298 7.254) 8.969 11.908 ( 13.628 -5.682 -1.849) 14.880 12.394 ( -5.928 14.414 -1.163) 15.629 12.831 ( -11.633 -12.855 -9.064) 19.564 13.954 ( -2.821 3.164 7.408) 8.535 14.182 ( -0.971 -3.217 1.800) 3.812 14.593 ( 1.705 8.538 -0.065) 8.706 15.505 ( -5.970 -2.576 -12.357) 13.963 16.814 ( -6.909 -3.356 -3.328) 8.371 17.212 ( 26.250 3.112 -7.237) 27.407 18.565 ( 14.949 0.512 6.048) 16.134 19.299 ( -2.537 3.926 -2.302) 5.210 19.875 ( -11.263 -2.878 17.819) 21.275 22.595 ( -20.752 -1.786 -9.737) 22.992 23.214 ( 15.252 -2.915 -0.817) 15.550 23.986 ( -3.211 0.910 -4.835) 5.875 ======================= Grid point 235 (127/260) ======================= q-point: (-0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -0.253 -0.828 11.048) 11.082 2.368 ( -2.896 1.306 6.334) 7.086 2.705 ( -3.476 1.011 -2.384) 4.335 2.807 ( -4.205 -8.109 -9.532) 13.202 3.620 ( 3.109 6.685 -3.864) 8.324 3.930 ( 8.225 -7.241 -6.972) 12.989 4.744 ( 5.485 2.323 -19.023) 19.934 4.814 ( 4.249 -4.009 -21.011) 21.808 5.555 ( -1.697 2.548 13.919) 14.252 5.696 ( -8.267 0.716 16.191) 18.193 6.126 ( -1.123 0.198 1.329) 1.751 6.392 ( -0.060 2.177 9.167) 9.422 6.808 ( -8.740 0.849 1.264) 8.872 7.257 ( 17.194 0.258 5.819) 18.154 7.646 ( -20.913 -1.607 11.919) 24.124 8.215 ( 14.353 2.039 -1.467) 14.572 8.239 ( -11.904 0.090 2.139) 12.095 9.036 ( 4.085 1.015 4.415) 6.100 10.042 ( 4.180 4.137 6.084) 8.462 10.345 ( -0.808 3.740 -14.422) 14.921 11.227 ( 10.669 -0.838 17.326) 20.365 12.127 ( 1.213 -5.513 0.374) 5.657 12.274 ( -0.865 17.823 -5.842) 18.776 12.667 ( -2.692 -15.270 -13.323) 20.443 13.868 ( -5.618 2.652 4.939) 7.937 14.160 ( -1.182 -3.905 1.928) 4.512 14.697 ( 8.807 7.671 0.103) 11.680 15.384 ( -4.644 -4.134 -9.705) 11.526 16.810 ( 7.314 -0.838 -6.829) 10.042 17.782 ( 26.160 4.409 -3.472) 26.755 18.576 ( -12.676 2.717 9.881) 16.301 19.235 ( -4.702 -1.649 -4.456) 6.685 19.847 ( 8.896 -2.959 20.987) 22.985 22.145 ( -21.707 -2.107 -12.330) 25.053 23.532 ( 14.552 -0.453 0.240) 14.561 23.875 ( -7.010 0.344 -6.953) 9.880 ======================= Grid point 236 (128/260) ======================= q-point: (-0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.245 12.070 10.333) 15.891 2.307 ( -4.202 5.869 5.416) 9.024 2.644 ( -2.721 -10.981 -6.445) 13.020 2.809 ( 5.074 -8.131 5.499) 11.049 3.736 ( 8.054 9.721 -4.743) 13.486 4.089 ( 7.406 -5.068 -9.865) 13.336 4.851 ( 4.282 2.685 -10.477) 11.632 4.921 ( 7.356 -3.226 -15.984) 17.889 5.446 ( -9.262 6.858 11.612) 16.361 5.564 ( -4.115 -5.319 14.001) 15.533 6.104 ( -2.915 1.569 3.630) 4.913 6.323 ( -6.658 2.466 10.002) 12.266 6.685 ( -1.458 -2.426 -7.347) 7.873 7.268 ( -14.981 -2.061 10.127) 18.200 7.686 ( 21.893 0.421 7.523) 23.153 7.906 ( -15.470 -0.118 -2.908) 15.742 8.510 ( 10.464 1.308 1.087) 10.601 9.115 ( 2.469 1.226 8.466) 8.903 10.117 ( 2.433 7.513 1.470) 8.033 10.313 ( -0.366 -1.804 -17.175) 17.273 11.474 ( 11.542 2.395 23.088) 25.923 11.966 ( -10.347 5.050 -7.268) 13.616 12.241 ( -7.949 -2.179 -3.310) 8.882 12.781 ( 13.319 -3.729 -12.027) 18.330 13.733 ( -7.519 0.150 2.982) 8.090 14.135 ( -1.407 -3.937 3.456) 5.424 14.972 ( 17.781 5.259 -5.969) 19.479 15.316 ( -1.496 -4.951 -7.003) 8.705 17.116 ( 22.066 3.723 -6.363) 23.265 17.813 ( -26.596 3.563 10.040) 28.650 18.638 ( 23.906 0.892 3.109) 24.124 19.062 ( -11.387 -5.588 -7.183) 14.577 20.144 ( 15.495 -1.063 22.018) 26.944 21.688 ( -22.217 -1.677 -10.673) 24.705 23.681 ( -5.942 4.045 -8.248) 10.941 23.828 ( 9.251 -2.978 -1.362) 9.813 ======================= Grid point 237 (129/260) ======================= q-point: (-0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -4.153 13.656 3.626) 14.727 2.241 ( 1.037 11.181 12.221) 16.597 2.613 ( 0.497 -10.888 -0.166) 10.901 2.953 ( 7.163 -9.715 12.057) 17.061 3.918 ( 8.634 10.125 -6.054) 14.619 4.219 ( 5.417 -1.749 -11.981) 13.264 4.872 ( -2.242 10.937 0.041) 11.165 5.080 ( 5.212 -3.910 1.452) 6.675 5.278 ( -3.910 5.641 -2.889) 7.447 5.503 ( -3.451 -9.626 12.436) 16.100 5.995 ( -5.266 1.970 5.358) 7.767 6.143 ( -10.810 -0.870 10.721) 15.250 6.767 ( 8.493 -3.523 -14.851) 17.467 7.027 ( -9.018 0.141 6.096) 10.887 7.653 ( -6.809 -1.154 -3.864) 7.914 8.116 ( 17.049 0.288 4.498) 17.635 8.660 ( 5.030 0.452 4.809) 6.974 9.128 ( -1.795 0.690 9.942) 10.126 10.137 ( 0.328 13.141 -10.632) 16.907 10.343 ( 3.618 -7.881 -10.407) 13.547 11.670 ( 0.564 11.788 11.047) 16.165 11.783 ( -2.724 0.434 1.329) 3.062 11.992 ( -12.970 -9.175 -2.761) 16.125 13.098 ( 16.161 2.364 -8.511) 18.418 13.570 ( -7.711 -3.643 1.752) 8.706 14.105 ( -1.615 -3.517 5.272) 6.540 15.276 ( 2.940 0.485 -5.847) 6.563 15.428 ( 20.021 -1.315 -15.089) 25.105 17.062 ( -36.563 4.188 17.648) 40.815 17.784 ( 36.031 -1.335 -0.732) 36.063 18.771 ( -16.002 -4.334 -10.838) 19.807 19.134 ( 19.920 1.920 -5.961) 20.881 20.426 ( 9.815 -1.165 22.904) 24.945 21.218 ( -22.582 -0.595 -4.278) 22.992 23.578 ( -1.406 1.809 -8.090) 8.409 23.999 ( 6.290 -0.254 -2.514) 6.779 ======================= Grid point 238 (130/260) ======================= q-point: (-0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -2.890 10.939 3.087) 11.728 2.289 ( 2.436 8.515 11.426) 14.456 2.667 ( 3.991 -4.909 6.598) 9.141 3.098 ( 6.210 -7.851 16.981) 19.712 4.041 ( 3.031 6.975 -6.615) 10.080 4.286 ( 0.535 2.315 -8.721) 9.039 4.778 ( -5.172 23.715 9.665) 26.126 5.016 ( -8.242 -2.064 2.969) 9.001 5.349 ( 2.552 1.832 -4.434) 5.434 5.414 ( -2.020 -17.036 9.549) 19.634 5.931 ( -7.858 0.813 6.669) 10.339 5.984 ( 3.192 -2.675 3.571) 5.487 6.882 ( -5.539 1.345 1.945) 6.023 6.941 ( 8.373 -3.366 -11.930) 14.959 7.702 ( 12.373 -0.935 -5.804) 13.699 8.270 ( -3.180 0.021 -6.544) 7.276 8.815 ( 9.863 2.342 13.871) 17.181 9.049 ( -5.611 -2.800 11.113) 12.761 10.143 ( 0.633 17.136 -15.529) 23.134 10.426 ( 4.300 -10.792 -9.555) 15.042 11.454 ( -16.203 9.546 -7.072) 20.092 11.643 ( -9.812 -6.030 -3.247) 11.965 12.010 ( 9.033 -1.111 20.071) 22.038 13.320 ( -0.114 -2.674 -0.831) 2.802 13.532 ( 10.181 -0.538 -5.498) 11.583 14.080 ( -0.876 -3.301 7.130) 7.906 15.318 ( 2.527 -0.462 -4.084) 4.825 15.784 ( 9.456 6.926 -23.090) 25.895 16.316 ( -32.665 -8.941 21.615) 40.176 18.403 ( -15.334 -1.644 -18.714) 24.250 18.643 ( 40.486 1.153 2.672) 40.590 19.371 ( 2.242 0.550 -11.566) 11.794 20.565 ( 3.643 -0.786 19.215) 19.573 20.804 ( -14.934 0.151 7.887) 16.889 23.636 ( 6.593 1.083 -4.478) 8.043 24.081 ( 1.826 0.521 -4.231) 4.638 ======================= Grid point 279 (131/260) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -7.689 0.000 25.044) 26.197 1.901 ( 0.629 0.000 28.388) 28.395 2.678 ( 7.311 0.000 11.597) 13.709 3.463 ( 5.464 0.000 -18.919) 19.693 3.707 ( 12.969 0.000 9.926) 16.332 3.765 ( 8.357 0.000 -7.021) 10.915 4.003 ( -7.355 0.000 7.202) 10.295 4.352 ( -5.553 0.000 19.564) 20.337 5.171 ( 13.779 0.000 -2.792) 14.059 5.517 ( -1.329 0.000 1.751) 2.198 6.428 ( -9.122 0.000 2.369) 9.425 6.491 ( -7.996 0.000 18.372) 20.037 7.060 ( -5.787 0.000 6.599) 8.777 7.384 ( 5.707 0.000 -22.077) 22.803 7.428 ( -0.197 0.000 -12.643) 12.645 7.820 ( -6.372 0.000 -21.213) 22.149 8.598 ( 7.112 0.000 -2.515) 7.544 8.645 ( -3.181 0.000 1.217) 3.406 9.825 ( 2.541 0.000 11.550) 11.826 10.484 ( 13.340 0.000 1.047) 13.381 10.872 ( 2.171 0.000 -11.742) 11.941 11.514 ( -5.669 0.000 -17.275) 18.182 12.548 ( -3.396 0.000 12.184) 12.648 13.251 ( 5.557 0.000 -3.364) 6.496 14.176 ( 11.274 0.000 -3.269) 11.738 14.320 ( -6.837 0.000 0.962) 6.905 15.215 ( 5.531 0.000 -2.243) 5.969 15.401 ( -8.574 0.000 -0.035) 8.574 17.359 ( 8.667 0.000 -4.003) 9.547 17.367 ( -51.661 0.000 -2.669) 51.730 19.114 ( -6.022 0.000 2.799) 6.640 19.412 ( 1.539 0.000 -2.991) 3.364 20.876 ( -21.558 0.000 12.758) 25.050 21.641 ( 54.299 0.000 -7.468) 54.810 23.146 ( 11.027 0.000 8.366) 13.841 23.898 ( -5.137 0.000 -7.501) 9.091 ======================= Grid point 280 (132/260) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 6.279 0.000 25.204) 25.974 1.897 ( 0.795 0.000 23.285) 23.298 2.917 ( 12.476 0.000 6.925) 14.269 3.516 ( 0.741 0.000 -23.377) 23.388 3.805 ( -3.609 0.000 -19.274) 19.609 3.862 ( 0.281 0.000 -12.891) 12.894 4.095 ( 14.862 0.000 36.238) 39.168 4.333 ( 3.641 0.000 24.868) 25.134 5.474 ( 14.566 0.000 -7.491) 16.379 5.486 ( -1.915 0.000 2.109) 2.848 6.315 ( -9.551 0.000 17.707) 20.119 6.321 ( -0.288 0.000 -0.162) 0.330 6.971 ( -3.787 0.000 6.828) 7.808 7.385 ( -3.655 0.000 -8.189) 8.967 7.403 ( -3.713 0.000 -22.083) 22.393 7.778 ( 4.892 0.000 -14.327) 15.139 8.560 ( -4.570 0.000 -0.133) 4.572 8.689 ( 1.069 0.000 -0.659) 1.256 9.816 ( -3.867 0.000 8.458) 9.300 10.607 ( -2.404 0.000 -6.650) 7.071 11.021 ( 11.919 0.000 -2.411) 12.160 11.484 ( 3.703 0.000 -19.042) 19.399 12.493 ( -1.748 0.000 4.017) 4.381 13.336 ( 2.330 0.000 -0.178) 2.337 14.200 ( -4.590 0.000 -0.573) 4.626 14.312 ( 0.702 0.000 -4.049) 4.110 15.187 ( -8.135 0.000 -1.965) 8.369 15.233 ( -7.527 0.000 -0.732) 7.563 16.302 ( -43.535 0.000 21.760) 48.671 17.519 ( 7.837 0.000 1.634) 8.006 19.063 ( -0.251 0.000 0.624) 0.673 19.465 ( 2.199 0.000 -1.402) 2.608 20.379 ( -25.289 0.000 8.925) 26.818 22.634 ( 39.046 0.000 -20.682) 44.185 23.385 ( 11.045 0.000 7.663) 13.443 23.744 ( -9.381 0.000 -8.908) 12.937 ======================= Grid point 281 (133/260) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 15.787 0.000 21.894) 26.992 1.999 ( 7.984 0.000 12.936) 15.202 3.136 ( 6.920 0.000 5.069) 8.578 3.500 ( -0.353 0.000 -26.337) 26.339 3.733 ( -0.712 0.000 -20.184) 20.197 3.796 ( -4.434 0.000 -15.576) 16.195 4.430 ( 14.388 0.000 28.936) 32.316 4.458 ( 4.636 0.000 23.138) 23.598 5.448 ( -1.164 0.000 3.524) 3.712 5.710 ( 7.796 0.000 -6.637) 10.238 6.133 ( -8.147 0.000 15.605) 17.604 6.429 ( 10.211 0.000 -4.921) 11.335 6.897 ( -4.066 0.000 9.294) 10.145 7.269 ( -6.984 0.000 -18.135) 19.433 7.282 ( -5.161 0.000 -4.369) 6.762 7.975 ( 13.327 0.000 -5.914) 14.580 8.474 ( -3.213 0.000 -2.299) 3.951 8.624 ( -7.560 0.000 2.152) 7.861 9.690 ( -7.862 0.000 2.783) 8.340 10.452 ( -11.038 0.000 -9.544) 14.592 11.245 ( 8.317 0.000 12.957) 15.397 11.637 ( 11.343 0.000 -19.579) 22.627 12.482 ( 0.190 0.000 -1.675) 1.686 13.332 ( -3.182 0.000 3.032) 4.395 14.122 ( -3.330 0.000 -6.480) 7.286 14.176 ( -13.004 0.000 -3.825) 13.555 14.928 ( -14.643 0.000 2.701) 14.890 15.066 ( -7.380 0.000 3.165) 8.030 15.823 ( -4.038 0.000 21.383) 21.761 17.723 ( 12.221 0.000 5.334) 13.335 18.973 ( -12.739 0.000 -2.964) 13.079 19.454 ( -3.965 0.000 0.776) 4.040 19.965 ( -11.081 0.000 9.072) 14.321 23.196 ( 15.001 0.000 -24.334) 28.586 23.533 ( -7.755 0.000 -8.050) 11.178 23.586 ( 7.655 0.000 6.158) 9.825 ======================= Grid point 282 (134/260) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 11.117 0.000 2.021) 11.299 2.298 ( 17.058 0.000 16.175) 23.507 3.128 ( -8.094 0.000 -3.037) 8.645 3.483 ( -1.169 0.000 -30.093) 30.116 3.728 ( 0.539 0.000 -13.777) 13.787 3.826 ( 10.324 0.000 -12.576) 16.271 4.461 ( -6.104 0.000 18.984) 19.941 4.668 ( 6.788 0.000 16.299) 17.656 5.484 ( 5.117 0.000 6.722) 8.448 5.804 ( 2.580 0.000 -1.463) 2.966 6.020 ( -2.974 0.000 12.862) 13.202 6.620 ( 0.313 0.000 0.197) 0.370 6.836 ( 3.548 0.000 4.267) 5.549 7.117 ( -6.947 0.000 -12.396) 14.210 7.227 ( 1.173 0.000 -0.637) 1.335 8.240 ( 3.462 0.000 4.122) 5.383 8.437 ( -1.875 0.000 2.829) 3.394 8.451 ( 1.963 0.000 -4.651) 5.048 9.516 ( -8.759 0.000 -3.570) 9.458 10.171 ( -15.302 0.000 -5.925) 16.409 11.381 ( 4.563 0.000 24.452) 24.875 11.910 ( 15.400 0.000 -19.773) 25.063 12.475 ( -1.165 0.000 0.154) 1.175 13.198 ( -9.776 0.000 4.715) 10.854 13.841 ( -17.576 0.000 -4.035) 18.033 14.025 ( -6.285 0.000 -15.382) 16.616 14.691 ( -6.704 0.000 11.743) 13.521 15.052 ( 6.569 0.000 -0.935) 6.636 15.958 ( 12.631 0.000 12.428) 17.720 18.027 ( 16.680 0.000 5.854) 17.677 18.503 ( -29.277 0.000 -4.433) 29.611 19.291 ( -11.759 0.000 2.886) 12.108 19.960 ( 7.240 0.000 10.482) 12.739 23.117 ( -13.874 0.000 -20.989) 25.160 23.606 ( 8.949 0.000 -10.421) 13.736 23.695 ( 2.451 0.000 4.885) 5.466 ======================= Grid point 283 (135/260) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 10.099 0.000 -5.219) 11.368 2.616 ( 12.746 0.000 6.660) 14.381 2.850 ( -17.193 0.000 -9.182) 19.491 3.392 ( -5.549 0.000 -28.442) 28.978 3.848 ( 9.986 0.000 -8.615) 13.189 4.073 ( 11.849 0.000 -5.085) 12.894 4.243 ( -14.124 0.000 14.450) 20.206 4.700 ( -3.964 0.000 2.466) 4.669 5.658 ( 10.536 0.000 8.447) 13.504 5.864 ( 4.085 0.000 4.460) 6.048 6.023 ( 2.585 0.000 10.230) 10.551 6.391 ( -17.044 0.000 12.082) 20.892 6.978 ( -5.787 0.000 -6.821) 8.945 7.040 ( 9.313 0.000 -8.061) 12.317 7.343 ( 10.544 0.000 4.908) 11.630 7.968 ( -18.530 0.000 8.358) 20.327 8.579 ( 10.838 0.000 -6.360) 12.566 8.705 ( 16.242 0.000 5.338) 17.097 9.327 ( -9.298 0.000 -8.494) 12.593 9.828 ( -17.629 0.000 -1.220) 17.671 11.464 ( 2.048 0.000 29.028) 29.100 12.242 ( 17.218 0.000 -18.975) 25.622 12.437 ( -2.431 0.000 5.095) 5.645 12.968 ( -11.322 0.000 4.624) 12.230 13.495 ( -14.644 0.000 -6.425) 15.992 13.854 ( -8.818 0.000 -16.967) 19.122 14.662 ( 1.973 0.000 13.779) 13.920 15.282 ( 13.965 0.000 -6.231) 15.292 16.289 ( 18.607 0.000 7.075) 19.907 17.877 ( -29.123 0.000 -5.577) 29.653 18.408 ( 19.371 0.000 5.104) 20.032 18.990 ( -16.683 0.000 4.268) 17.220 20.178 ( 12.197 0.000 13.709) 18.350 22.785 ( -16.619 0.000 -23.330) 28.644 23.688 ( -3.274 0.000 4.032) 5.194 23.758 ( 6.118 0.000 -8.026) 10.092 ======================= Grid point 284 (136/260) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -20.672 0.000 -4.805) 21.223 2.669 ( 7.891 0.000 -12.549) 14.824 2.835 ( 8.833 0.000 -4.293) 9.821 3.259 ( -5.724 0.000 -24.040) 24.712 3.830 ( -17.369 0.000 19.058) 25.785 4.166 ( 11.184 0.000 -7.311) 13.361 4.204 ( -2.772 0.000 -1.975) 3.403 4.584 ( -3.184 0.000 -4.869) 5.817 5.851 ( 5.122 0.000 7.881) 9.399 5.954 ( -8.311 0.000 11.471) 14.165 6.042 ( -4.184 0.000 10.636) 11.429 6.156 ( 10.996 0.000 8.041) 13.622 6.890 ( -1.969 0.000 -3.178) 3.738 7.143 ( 2.492 0.000 -10.353) 10.648 7.611 ( -15.023 0.000 8.357) 17.191 7.656 ( 17.813 0.000 7.077) 19.167 8.870 ( 16.048 0.000 -6.801) 17.430 8.988 ( 8.037 0.000 2.316) 8.365 9.140 ( -6.019 0.000 -6.813) 9.091 9.445 ( -18.900 0.000 1.840) 18.989 11.463 ( -4.090 0.000 24.819) 25.154 12.395 ( -1.436 0.000 12.134) 12.219 12.531 ( 5.742 0.000 -9.247) 10.884 12.830 ( 3.131 0.000 -4.192) 5.232 13.268 ( -6.404 0.000 -7.653) 9.979 13.675 ( -6.754 0.000 -14.028) 15.570 14.732 ( 3.397 0.000 10.089) 10.645 15.551 ( 11.072 0.000 -6.286) 12.732 16.733 ( 24.165 0.000 3.843) 24.469 17.343 ( -21.386 0.000 -5.694) 22.131 18.644 ( -16.105 0.000 4.586) 16.745 18.817 ( 19.601 0.000 2.634) 19.777 20.454 ( 13.475 0.000 18.910) 23.220 22.416 ( -17.898 0.000 -27.530) 32.837 23.569 ( -8.223 0.000 3.404) 8.900 23.859 ( 4.063 0.000 -5.243) 6.633 ======================= Grid point 285 (137/260) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -21.902 0.000 0.986) 21.924 2.847 ( 9.102 0.000 -11.843) 14.937 2.991 ( 6.628 0.000 -12.793) 14.408 3.141 ( -5.419 0.000 -15.320) 16.250 3.434 ( -19.152 0.000 16.978) 25.594 3.942 ( -18.797 0.000 -4.303) 19.283 4.398 ( 9.637 0.000 -0.248) 9.640 4.608 ( 2.925 0.000 -1.635) 3.351 5.538 ( -22.673 0.000 15.616) 27.530 5.859 ( -3.502 0.000 6.680) 7.542 6.222 ( 11.145 0.000 7.641) 13.513 6.435 ( 12.948 0.000 8.254) 15.355 6.904 ( 3.101 0.000 -5.654) 6.449 7.180 ( 2.092 0.000 -12.299) 12.476 7.413 ( -2.905 0.000 7.701) 8.231 8.031 ( 17.353 0.000 7.041) 18.727 8.878 ( -9.928 0.000 -16.642) 19.379 8.908 ( -20.317 0.000 2.011) 20.417 9.239 ( 7.641 0.000 10.227) 12.766 9.329 ( 14.811 0.000 -5.561) 15.821 11.309 ( -10.962 0.000 13.502) 17.392 12.411 ( 2.336 0.000 21.917) 22.041 12.446 ( -8.344 0.000 -0.743) 8.377 13.023 ( 6.897 0.000 -13.638) 15.283 13.229 ( 2.559 0.000 -6.681) 7.155 13.656 ( 8.789 0.000 -10.522) 13.710 14.787 ( 1.248 0.000 6.097) 6.224 15.707 ( 4.158 0.000 -5.103) 6.583 17.008 ( -10.697 0.000 -5.762) 12.150 17.285 ( 28.718 0.000 6.485) 29.441 18.366 ( -10.181 0.000 2.550) 10.496 19.191 ( 15.631 0.000 0.190) 15.633 20.744 ( 13.588 0.000 24.705) 28.195 22.016 ( -19.751 0.000 -31.563) 37.234 23.365 ( -11.159 0.000 2.796) 11.504 23.925 ( 2.606 0.000 -3.524) 4.383 ======================= Grid point 286 (138/260) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -12.533 0.000 14.334) 19.041 2.850 ( -21.188 0.000 13.311) 25.022 3.029 ( 8.878 0.000 -8.194) 12.081 3.117 ( 3.827 0.000 -21.991) 22.322 3.248 ( 2.418 0.000 0.100) 2.420 3.516 ( -21.126 0.000 -2.964) 21.333 4.540 ( 3.831 0.000 6.418) 7.475 4.651 ( 0.649 0.000 2.434) 2.519 5.086 ( -20.546 0.000 13.050) 24.340 5.753 ( -6.232 0.000 6.019) 8.664 6.452 ( 10.100 0.000 7.414) 12.529 6.636 ( 5.836 0.000 10.109) 11.673 6.971 ( 3.669 0.000 -10.891) 11.493 7.225 ( 2.812 0.000 -14.276) 14.550 7.531 ( 12.612 0.000 3.745) 13.156 8.341 ( 2.615 0.000 6.407) 6.920 8.408 ( -16.723 0.000 2.094) 16.853 8.664 ( -9.608 0.000 -19.163) 21.437 9.393 ( 7.183 0.000 11.561) 13.611 9.664 ( 15.469 0.000 -5.623) 16.459 11.077 ( -10.491 0.000 4.768) 11.523 12.243 ( -11.220 0.000 -5.209) 12.370 12.495 ( 4.165 0.000 27.237) 27.554 13.042 ( -1.243 0.000 -10.818) 10.889 13.350 ( 9.153 0.000 -4.831) 10.350 14.011 ( 22.103 0.000 -9.371) 24.007 14.785 ( -1.499 0.000 4.659) 4.894 15.731 ( -1.172 0.000 -4.005) 4.173 16.892 ( -0.540 0.000 -6.488) 6.511 17.903 ( 28.751 0.000 18.343) 34.104 18.257 ( 1.569 0.000 -6.703) 6.885 19.427 ( 6.526 0.000 -0.835) 6.580 21.027 ( 12.149 0.000 28.385) 30.876 21.559 ( -23.435 0.000 -33.534) 40.911 23.133 ( -10.742 0.000 2.393) 11.006 23.965 ( 1.481 0.000 -3.111) 3.446 ======================= Grid point 287 (139/260) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 5.306 0.000 28.329) 28.822 2.383 ( -23.045 0.000 18.876) 29.789 3.063 ( -17.390 0.000 4.835) 18.049 3.194 ( 5.411 0.000 -16.070) 16.956 3.242 ( 7.313 0.000 -3.653) 8.174 3.385 ( 8.828 0.000 -6.636) 11.044 4.531 ( -14.568 0.000 11.029) 18.272 4.562 ( -2.014 0.000 11.909) 12.078 4.843 ( -0.443 0.000 1.942) 1.992 5.633 ( -5.155 0.000 4.205) 6.653 6.615 ( 4.515 0.000 6.900) 8.246 6.685 ( -1.227 0.000 15.027) 15.077 7.080 ( 7.567 0.000 -18.290) 19.793 7.277 ( 2.417 0.000 -14.226) 14.430 7.816 ( -26.319 0.000 1.212) 26.347 7.820 ( 12.642 0.000 -3.038) 13.002 8.481 ( -6.422 0.000 -18.450) 19.536 8.582 ( 7.465 0.000 3.804) 8.379 9.555 ( 7.888 0.000 12.483) 14.766 9.942 ( 12.042 0.000 -2.785) 12.360 10.917 ( -4.783 0.000 -1.197) 4.930 11.982 ( -13.270 0.000 -10.327) 16.814 12.580 ( 2.230 0.000 25.702) 25.799 13.044 ( 2.415 0.000 -7.911) 8.271 13.591 ( 13.904 0.000 -2.966) 14.217 14.424 ( 14.085 0.000 -9.788) 17.152 14.766 ( 2.541 0.000 6.389) 6.876 15.673 ( -4.029 0.000 -2.266) 4.623 16.964 ( 7.265 0.000 -7.617) 10.527 18.186 ( 2.810 0.000 -0.189) 2.817 18.712 ( 35.985 0.000 8.860) 37.060 19.449 ( -4.147 0.000 0.401) 4.166 21.023 ( -25.555 0.000 -28.297) 38.129 21.231 ( 4.937 0.000 26.816) 27.266 22.961 ( -4.982 0.000 3.360) 6.009 23.983 ( 0.311 0.000 -3.905) 3.918 ======================= Grid point 288 (140/260) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 13.158 0.000 31.309) 33.962 1.955 ( -18.347 0.000 22.029) 28.668 2.729 ( -12.145 0.000 11.095) 16.450 3.327 ( 7.582 0.000 -14.596) 16.448 3.447 ( 11.256 0.000 5.945) 12.729 3.576 ( 9.657 0.000 -7.210) 12.052 4.222 ( -13.550 0.000 6.931) 15.220 4.478 ( -6.229 0.000 15.809) 16.992 4.940 ( 8.276 0.000 0.468) 8.289 5.553 ( -2.654 0.000 2.327) 3.530 6.610 ( -5.802 0.000 4.553) 7.375 6.621 ( -5.293 0.000 17.614) 18.392 7.233 ( -9.474 0.000 1.537) 9.598 7.242 ( 8.345 0.000 -21.954) 23.487 7.446 ( -4.720 0.000 -11.835) 12.741 7.943 ( -1.665 0.000 -16.740) 16.823 8.451 ( 5.007 0.000 -7.937) 9.385 8.670 ( 1.121 0.000 2.197) 2.467 9.717 ( 6.810 0.000 12.555) 14.283 10.193 ( 13.119 0.000 0.422) 13.126 10.866 ( -0.597 0.000 -7.228) 7.253 11.710 ( -11.806 0.000 -14.240) 18.497 12.597 ( -1.520 0.000 19.696) 19.755 13.130 ( 5.736 0.000 -5.764) 8.132 13.897 ( 15.050 0.000 -2.522) 15.260 14.460 ( -5.662 0.000 -1.603) 5.885 14.995 ( 14.344 0.000 -0.100) 14.344 15.563 ( -6.654 0.000 -0.534) 6.675 17.155 ( 10.674 0.000 -7.373) 12.972 18.103 ( -15.741 0.000 -13.806) 20.938 19.292 ( -9.754 0.000 2.376) 10.040 19.344 ( 14.666 0.000 0.600) 14.678 20.768 ( 15.658 0.000 -4.853) 16.393 21.201 ( -9.479 0.000 19.835) 21.984 22.964 ( 5.115 0.000 6.532) 8.297 23.969 ( -1.666 0.000 -5.568) 5.812 ======================= Grid point 289 (141/260) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -1.991 5.611 24.362) 25.079 2.063 ( 0.081 13.160 26.697) 29.764 2.761 ( 2.734 8.057 8.499) 12.026 3.363 ( 3.299 -7.468 -12.287) 14.752 3.758 ( 6.219 1.812 -7.887) 10.206 3.796 ( 12.978 8.190 10.776) 18.751 4.145 ( -1.816 9.777 8.287) 12.944 4.342 ( -8.876 0.283 13.155) 15.872 5.188 ( 13.102 1.730 -3.323) 13.627 5.559 ( -2.267 4.090 2.051) 5.107 6.417 ( -7.610 -2.101 3.274) 8.547 6.456 ( -8.065 -3.079 15.787) 17.993 6.984 ( -4.440 -7.457 6.331) 10.742 7.276 ( 5.501 -5.162 -14.904) 16.705 7.566 ( 2.948 7.887 -17.646) 19.552 7.827 ( -6.227 0.632 -19.670) 20.642 8.662 ( 4.528 6.526 -0.642) 7.969 8.682 ( -3.255 4.656 -1.748) 5.944 9.786 ( 2.519 -3.876 12.328) 13.166 10.532 ( 10.469 3.848 -1.650) 11.276 10.862 ( 0.940 -0.361 -9.281) 9.336 11.572 ( -4.558 4.729 -17.774) 18.948 12.488 ( -2.088 -5.046 14.485) 15.480 13.300 ( 7.191 4.592 -3.332) 9.160 14.116 ( 9.953 -6.329 -1.490) 11.889 14.365 ( -7.230 4.135 1.720) 8.504 15.135 ( 4.052 -7.384 -4.355) 9.482 15.361 ( -7.482 -3.558 -1.737) 8.465 17.114 ( -28.633 -15.738 4.947) 33.045 17.541 ( -14.179 8.537 -8.267) 18.501 19.112 ( -0.569 0.012 1.323) 1.440 19.380 ( -0.492 -3.468 -3.747) 5.129 20.868 ( -19.455 -0.688 12.512) 23.142 21.484 ( 47.610 -12.950 -1.011) 49.350 23.317 ( 11.903 14.288 2.638) 18.783 23.900 ( -4.823 0.182 -6.969) 8.478 ======================= Grid point 290 (142/260) ======================= q-point: ( 0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 7.924 10.568 21.811) 25.498 2.020 ( -1.967 12.352 23.348) 26.487 2.919 ( 9.251 0.290 5.093) 10.564 3.397 ( 1.693 -9.173 -14.873) 17.556 3.789 ( -0.993 2.374 -18.750) 18.926 4.033 ( -8.728 9.072 -11.402) 16.985 4.141 ( 16.686 6.243 26.912) 32.275 4.329 ( 6.053 0.161 25.550) 26.258 5.425 ( 4.411 -2.837 -4.254) 6.753 5.559 ( 6.806 5.101 -0.541) 8.523 6.242 ( -9.897 -6.159 13.990) 18.210 6.360 ( -0.142 2.561 0.632) 2.642 6.917 ( -2.870 -5.624 7.483) 9.791 7.347 ( 1.724 0.041 -12.622) 12.739 7.480 ( -8.730 3.316 -16.287) 18.775 7.841 ( 7.385 6.817 -13.299) 16.670 8.568 ( -6.027 1.445 -0.425) 6.213 8.751 ( 2.028 6.195 -0.764) 6.563 9.785 ( -3.056 -2.986 9.845) 10.732 10.601 ( -3.636 -1.034 -9.229) 9.973 10.972 ( 9.195 -3.367 -2.018) 9.998 11.568 ( 4.656 6.426 -16.851) 18.626 12.456 ( -1.028 -2.743 8.057) 8.573 13.411 ( 3.139 6.888 -3.176) 8.209 14.223 ( -2.496 -1.427 2.171) 3.602 14.241 ( -2.694 -3.476 -4.408) 6.227 15.087 ( -7.902 -7.570 -2.552) 11.236 15.254 ( -3.664 0.308 -1.692) 4.048 16.226 ( -39.309 -7.434 21.612) 45.470 17.562 ( 5.461 4.299 0.500) 6.968 19.091 ( -0.550 2.786 -0.059) 2.841 19.367 ( -2.870 -9.748 -2.290) 10.417 20.441 ( -20.152 6.067 8.834) 22.824 22.397 ( 37.429 -19.460 -10.883) 43.567 23.544 ( 8.194 11.410 -0.957) 14.080 23.764 ( -7.017 2.155 -7.320) 10.367 ======================= Grid point 291 (143/260) ======================= q-point: ( 0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 6.945 7.195 20.869) 23.141 2.123 ( 12.815 10.196 12.565) 20.641 3.065 ( 3.447 -6.085 0.126) 6.995 3.471 ( 6.925 -4.250 -14.961) 17.025 3.714 ( -4.844 2.069 -23.218) 23.808 3.847 ( -7.393 1.382 -9.640) 12.227 4.449 ( 4.151 -0.726 19.071) 19.531 4.508 ( 14.365 8.006 24.379) 29.407 5.419 ( -0.528 -2.684 1.159) 2.971 5.738 ( 5.518 1.819 -3.770) 6.926 6.065 ( -6.634 -5.454 12.575) 15.228 6.451 ( 8.826 1.934 -4.673) 10.172 6.861 ( -3.029 -3.611 9.794) 10.869 7.264 ( -8.795 -0.376 -16.371) 18.587 7.367 ( -0.915 7.679 -3.858) 8.642 8.041 ( 11.541 6.488 -4.949) 14.134 8.453 ( -4.488 0.040 -2.432) 5.105 8.721 ( -4.963 8.143 1.171) 9.608 9.682 ( -6.750 -0.779 4.416) 8.104 10.441 ( -10.541 -1.361 -10.797) 15.150 11.165 ( 8.806 -6.579 5.788) 12.423 11.711 ( 8.990 5.531 -11.754) 15.798 12.454 ( 0.018 -2.055 3.320) 3.904 13.403 ( -4.274 6.388 -3.318) 8.372 14.117 ( -7.770 -2.369 -7.031) 10.743 14.148 ( -5.226 -0.596 0.801) 5.320 14.843 ( -14.135 -4.928 2.719) 15.215 15.150 ( -5.430 5.028 1.700) 7.593 15.806 ( -2.319 -1.619 19.158) 19.366 17.722 ( 10.458 0.074 5.027) 11.604 18.952 ( -18.137 -3.703 -2.574) 18.689 19.291 ( -0.990 -11.559 0.357) 11.607 20.133 ( -8.979 13.591 8.307) 18.285 22.988 ( 20.698 -17.850 -13.594) 30.526 23.478 ( -11.298 -0.132 -9.130) 14.526 23.769 ( 5.127 9.849 -1.318) 11.182 ======================= Grid point 292 (144/260) ======================= q-point: ( 0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 8.993 -0.325 10.292) 13.671 2.447 ( 15.813 9.939 8.191) 20.394 3.035 ( -6.488 -7.360 -5.475) 11.235 3.566 ( -3.207 6.189 -27.187) 28.066 3.660 ( 3.302 -5.416 -13.347) 14.778 3.787 ( 6.159 -4.355 -6.991) 10.285 4.414 ( -8.029 -4.867 18.109) 20.398 4.745 ( 5.765 6.676 9.760) 13.155 5.477 ( 6.854 -0.286 5.876) 9.032 5.771 ( -0.164 -3.669 4.560) 5.855 6.005 ( -0.194 -0.080 6.848) 6.852 6.623 ( 1.477 -0.014 0.428) 1.538 6.829 ( 3.386 -0.410 4.736) 5.836 7.095 ( -5.896 -0.797 -9.158) 10.921 7.352 ( -0.427 9.681 -1.208) 9.765 8.225 ( 0.130 -0.151 5.306) 5.310 8.443 ( 7.683 4.671 -3.120) 9.517 8.598 ( -3.732 9.991 -0.625) 10.683 9.522 ( -8.831 0.531 -2.054) 9.082 10.183 ( -13.479 1.084 -6.928) 15.194 11.334 ( 6.991 -5.041 15.910) 18.095 11.921 ( 11.968 1.074 -11.172) 16.407 12.428 ( -3.333 -4.240 3.498) 6.428 13.240 ( -10.200 4.556 -2.058) 11.359 13.913 ( -11.065 5.712 0.548) 12.464 14.031 ( -7.019 1.352 -13.544) 15.314 14.612 ( -6.516 -5.614 8.410) 12.029 15.138 ( 5.221 6.573 -0.627) 8.418 15.961 ( 13.167 0.385 10.534) 16.867 18.001 ( 15.643 -2.835 5.866) 16.946 18.417 ( -29.602 -8.513 -2.332) 30.890 19.250 ( -5.645 -2.898 1.069) 6.435 20.072 ( 2.210 10.192 10.263) 14.632 23.114 ( -11.979 -0.945 -22.300) 25.331 23.380 ( 7.913 -14.336 -0.723) 16.391 23.844 ( 1.896 7.196 -2.073) 7.725 ======================= Grid point 293 (145/260) ======================= q-point: ( 0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 9.459 -4.352 0.817) 10.444 2.727 ( 7.008 7.236 1.005) 10.124 2.807 ( -10.991 -3.495 -7.649) 13.839 3.438 ( -6.349 4.098 -27.160) 28.192 3.764 ( 7.647 -7.694 -7.276) 13.062 4.009 ( 8.129 -7.946 -0.968) 11.409 4.179 ( -10.794 -4.515 10.778) 15.908 4.741 ( -5.139 2.282 -3.788) 6.780 5.687 ( 11.445 2.834 9.746) 15.297 5.804 ( 3.716 -3.977 8.419) 10.025 6.038 ( 2.585 1.354 6.589) 7.206 6.457 ( -13.112 5.738 11.758) 18.523 6.912 ( -0.476 -4.293 -7.410) 8.577 7.081 ( 2.688 2.623 -3.781) 5.329 7.391 ( 7.143 3.531 4.332) 9.070 8.037 ( -13.769 7.606 6.448) 17.001 8.660 ( 9.811 5.981 -1.301) 11.563 8.719 ( 14.167 3.118 0.828) 14.530 9.311 ( -11.253 -1.023 -6.795) 13.185 9.895 ( -13.920 6.299 -3.111) 15.592 11.464 ( 4.403 -0.707 24.257) 24.664 12.195 ( 14.857 -4.136 -12.788) 20.034 12.315 ( -7.114 -10.178 4.199) 13.109 13.040 ( -8.169 6.847 -0.075) 10.660 13.658 ( -12.813 14.246 -1.592) 19.227 13.864 ( -7.561 1.468 -15.502) 17.310 14.586 ( 2.174 -6.607 11.610) 13.534 15.323 ( 11.045 3.098 -6.760) 13.314 16.304 ( 19.475 1.628 5.710) 20.360 17.782 ( -28.171 -9.395 -4.102) 29.979 18.392 ( 19.199 -1.320 6.348) 20.265 19.039 ( -13.841 4.532 2.345) 14.752 20.205 ( 9.178 2.701 13.670) 16.686 22.781 ( -17.226 -0.404 -23.381) 29.044 23.529 ( 4.688 -11.200 0.748) 12.165 23.852 ( -0.513 4.658 -3.746) 5.999 ======================= Grid point 294 (146/260) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -19.085 0.653 -3.970) 19.504 2.552 ( 7.886 -6.981 -7.959) 13.200 2.936 ( 7.287 4.841 -7.019) 11.216 3.307 ( -4.814 5.305 -23.375) 24.449 3.720 ( -18.953 -11.053 19.116) 29.100 3.947 ( 2.707 -14.298 -2.136) 14.708 4.299 ( 9.100 3.137 -7.039) 11.925 4.613 ( -3.935 1.278 -9.083) 9.981 5.860 ( 4.163 -2.677 8.755) 10.057 5.948 ( 7.866 0.136 7.510) 10.876 5.997 ( -12.294 2.960 14.956) 19.585 6.298 ( 4.140 9.592 7.754) 13.011 6.897 ( -0.290 0.831 -2.754) 2.891 7.044 ( -2.992 -7.217 -4.969) 9.259 7.654 ( 10.807 3.612 5.722) 12.751 7.792 ( -4.568 11.661 4.545) 13.324 8.857 ( -0.117 -2.732 -5.824) 6.434 8.966 ( 9.104 -4.717 9.920) 14.267 9.134 ( 2.338 7.237 -10.620) 13.062 9.612 ( -13.052 12.938 -2.578) 18.558 11.504 ( -2.807 3.968 23.052) 23.559 12.182 ( -4.310 -15.218 10.086) 18.759 12.500 ( 13.368 -6.536 -13.851) 20.329 12.905 ( -5.152 6.033 -0.392) 7.943 13.444 ( -6.337 15.688 -4.830) 17.596 13.732 ( -3.578 6.376 -10.793) 13.036 14.658 ( 3.453 -7.063 9.542) 12.364 15.529 ( 8.341 -2.566 -7.886) 11.762 16.768 ( 24.946 3.483 2.737) 25.336 17.272 ( -19.965 -6.926 -4.330) 21.571 18.682 ( -9.354 2.991 5.776) 11.393 18.844 ( 13.183 3.386 1.095) 13.655 20.434 ( 11.875 -2.005 18.964) 22.465 22.398 ( -18.650 -1.805 -26.849) 32.741 23.541 ( -3.983 -2.972 3.051) 5.831 23.855 ( 1.604 -0.254 -4.860) 5.124 ======================= Grid point 295 (147/260) ======================= q-point: (-0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -19.141 5.330 1.818) 19.952 2.725 ( 8.490 -7.508 -11.188) 15.925 3.023 ( -1.373 -2.268 -7.124) 7.601 3.234 ( -1.524 8.276 -11.931) 14.600 3.323 ( -15.366 -8.508 8.929) 19.704 3.859 ( -11.201 -7.647 -0.075) 13.562 4.443 ( 6.162 3.338 -5.971) 9.207 4.637 ( 4.432 2.068 -3.690) 6.126 5.608 ( -21.076 6.584 15.771) 27.134 5.910 ( -2.362 4.422 7.472) 8.998 6.117 ( 9.296 -7.418 7.023) 13.812 6.487 ( 9.185 2.609 8.711) 12.925 6.836 ( -3.628 -5.704 -5.269) 8.571 7.134 ( 11.673 -0.193 -4.950) 12.681 7.577 ( -5.204 11.918 1.749) 13.122 8.065 ( 16.745 3.021 6.261) 18.130 8.583 ( -18.782 -14.921 -2.501) 24.118 9.088 ( -1.840 2.019 0.465) 2.771 9.349 ( 5.223 14.355 -4.714) 15.986 9.445 ( 7.314 10.030 -2.853) 12.737 11.358 ( -10.938 5.197 11.285) 16.553 12.172 ( 1.900 -13.445 18.076) 22.608 12.619 ( -3.332 5.787 -2.799) 7.240 12.856 ( 1.546 -11.080 -8.692) 14.167 13.402 ( 1.263 12.243 -7.516) 14.421 13.787 ( 11.240 13.166 -5.915) 18.293 14.716 ( 1.524 -7.065 6.277) 9.573 15.648 ( 3.547 -5.813 -6.339) 9.303 16.948 ( -9.440 -5.580 -5.784) 12.398 17.339 ( 27.863 5.092 5.633) 28.879 18.421 ( -10.680 5.409 3.041) 12.352 19.184 ( 14.409 -0.660 -0.441) 14.431 20.701 ( 12.885 -4.396 24.939) 28.413 21.985 ( -20.244 -2.954 -29.651) 36.024 23.393 ( -9.421 2.677 1.796) 9.957 23.903 ( 2.720 -2.211 -3.457) 4.923 ======================= Grid point 296 (148/260) ======================= q-point: (-0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -10.195 10.671 14.089) 20.404 2.720 ( -21.291 -10.652 16.718) 29.090 2.895 ( 7.569 -7.286 -12.869) 16.612 3.210 ( 2.111 -2.627 -1.322) 3.621 3.304 ( 5.524 11.585 -17.164) 21.432 3.573 ( -14.559 3.523 -2.069) 15.121 4.538 ( 2.320 0.675 2.658) 3.592 4.719 ( 3.112 5.119 0.137) 5.993 5.169 ( -21.081 8.547 14.331) 26.885 5.814 ( -6.286 5.939 6.155) 10.615 6.329 ( 10.187 -10.661 6.699) 16.196 6.621 ( 3.413 -3.841 10.923) 12.071 6.827 ( 3.495 -8.275 -12.059) 15.037 7.373 ( 5.768 9.868 -11.834) 16.453 7.572 ( 7.947 3.734 4.363) 9.805 8.143 ( -20.980 -16.133 0.189) 26.467 8.393 ( 12.373 4.237 6.368) 14.546 8.905 ( -11.661 13.993 -14.234) 23.117 9.425 ( 5.203 4.095 9.348) 11.455 9.749 ( 15.233 8.252 -6.685) 18.570 11.125 ( -10.574 5.164 3.174) 12.189 12.206 ( -2.159 -4.161 9.500) 10.593 12.482 ( -5.734 -0.740 8.932) 10.640 12.906 ( 3.239 -10.424 -7.090) 13.016 13.465 ( 5.499 8.372 -6.556) 11.971 14.154 ( 21.765 13.568 -6.553) 26.471 14.723 ( -1.134 -6.172 4.916) 7.971 15.674 ( -0.645 -5.691 -4.395) 7.220 16.848 ( 0.018 -3.915 -6.982) 8.005 17.913 ( 24.852 0.863 17.321) 30.305 18.316 ( 3.020 5.814 -6.344) 9.120 19.381 ( 3.935 -4.771 -1.871) 6.461 20.975 ( 11.523 -5.298 27.546) 30.325 21.529 ( -22.500 -2.480 -28.720) 36.569 23.191 ( -9.239 5.482 0.432) 10.752 23.951 ( 1.958 -1.422 -2.994) 3.849 ======================= Grid point 297 (149/260) ======================= q-point: (-0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.439 12.323 26.101) 29.203 2.290 ( -19.691 -6.454 21.788) 30.068 3.023 ( 2.451 -6.867 -8.252) 11.012 3.226 ( -6.305 6.016 -3.220) 9.291 3.337 ( 4.379 6.878 -0.375) 8.162 3.476 ( 7.290 9.275 -11.915) 16.767 4.497 ( -8.164 -0.037 13.670) 15.923 4.710 ( -7.700 11.210 6.735) 15.176 4.872 ( -1.912 3.191 1.696) 4.088 5.690 ( -5.332 5.518 4.187) 8.741 6.509 ( 6.033 -9.561 7.195) 13.401 6.654 ( -0.701 -4.191 13.606) 14.254 6.944 ( 7.650 -9.284 -17.292) 21.064 7.390 ( -0.879 6.836 -13.392) 15.061 7.600 ( -16.084 -13.962 6.116) 22.159 7.908 ( 6.230 4.263 -7.111) 10.371 8.588 ( 3.242 7.544 1.586) 8.363 8.698 ( -4.112 11.832 -13.513) 18.426 9.550 ( 6.208 -0.299 11.298) 12.895 10.030 ( 12.441 8.116 -4.662) 15.569 10.956 ( -5.611 4.309 -1.462) 7.224 12.024 ( -12.834 4.066 -9.594) 16.532 12.474 ( 1.918 -9.903 22.509) 24.666 12.995 ( 5.809 -4.136 -4.358) 8.357 13.628 ( 10.370 2.923 -4.208) 11.566 14.561 ( 11.694 12.795 -8.996) 19.529 14.699 ( 3.506 -6.562 5.606) 9.315 15.626 ( -3.732 -4.873 -2.596) 6.664 16.929 ( 7.625 -2.847 -7.276) 10.917 18.219 ( 6.333 2.536 4.257) 8.041 18.689 ( 28.818 -2.194 3.256) 29.084 19.340 ( -6.807 -10.244 -1.097) 12.349 20.978 ( -19.717 -3.435 -16.555) 25.974 21.223 ( 1.509 -1.073 20.887) 20.969 23.055 ( -2.796 8.586 0.591) 9.049 23.977 ( 0.580 -0.543 -3.729) 3.813 ======================= Grid point 298 (150/260) ======================= q-point: (-0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 3.080 4.787 27.355) 27.941 2.002 ( -4.552 5.770 25.990) 27.009 2.865 ( -11.101 10.140 5.645) 16.060 3.260 ( 6.328 -2.708 -9.800) 11.976 3.514 ( 10.950 4.898 5.456) 13.178 3.638 ( 7.936 7.121 -8.961) 13.927 4.268 ( -10.807 2.962 14.179) 18.072 4.535 ( -8.998 6.857 7.572) 13.613 4.965 ( 8.156 2.587 -0.531) 8.572 5.608 ( -2.870 5.184 2.117) 6.292 6.548 ( -3.115 -6.050 6.354) 9.310 6.596 ( -5.635 -3.040 15.522) 16.790 7.078 ( 2.028 -9.893 -11.538) 15.333 7.213 ( -7.149 -6.788 -1.566) 9.982 7.483 ( 3.653 2.931 -15.469) 16.162 7.966 ( -3.080 2.278 -16.130) 16.578 8.573 ( 1.976 12.242 -7.474) 14.479 8.722 ( 0.582 4.985 0.564) 5.050 9.686 ( 6.030 -3.147 12.438) 14.176 10.280 ( 12.416 7.582 -2.030) 14.689 10.882 ( -1.917 2.045 -6.156) 6.764 11.754 ( -11.591 3.868 -14.830) 19.215 12.508 ( -0.168 -8.002 19.994) 21.536 13.139 ( 7.970 0.862 -3.676) 8.819 13.872 ( 12.714 -2.683 -2.382) 13.211 14.515 ( -6.859 3.963 1.858) 8.137 14.958 ( 12.493 -2.209 -5.145) 13.690 15.518 ( -6.671 -4.577 -1.654) 8.257 17.119 ( 9.681 -3.672 -5.133) 11.556 18.143 ( -19.598 3.296 -14.215) 24.433 19.096 ( 1.419 -17.473 4.760) 18.165 19.328 ( 10.696 -1.952 -0.972) 10.916 20.760 ( 10.815 0.013 -0.990) 10.861 21.176 ( -9.107 -2.570 19.041) 21.263 23.104 ( 7.243 12.372 2.621) 14.574 23.967 ( -1.554 -0.148 -5.233) 5.461 ======================= Grid point 299 (151/260) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 1.951 11.461 20.576) 23.633 2.309 ( 3.964 11.578 24.190) 27.109 2.899 ( -0.878 2.710 -0.076) 2.849 3.317 ( -2.867 6.067 -1.662) 6.913 3.839 ( 4.116 5.689 -6.826) 9.793 3.990 ( 12.944 10.183 6.689) 17.775 4.233 ( 1.317 2.837 24.951) 25.146 4.461 ( -13.063 10.543 -4.952) 17.502 5.228 ( 9.865 2.189 -4.973) 11.262 5.657 ( -2.587 5.767 2.786) 6.908 6.310 ( -9.603 -8.608 11.264) 17.123 6.382 ( -2.175 -6.360 4.343) 8.003 6.831 ( -3.633 -6.507 4.635) 8.776 7.191 ( 9.810 -4.117 -9.208) 14.070 7.695 ( 4.802 5.437 -18.209) 19.601 7.841 ( -4.029 0.772 -16.105) 16.619 8.765 ( -5.393 5.823 3.589) 8.711 8.918 ( 0.767 17.950 -8.512) 19.881 9.688 ( 2.802 -6.096 13.560) 15.129 10.567 ( 4.633 -1.403 -7.884) 9.251 10.894 ( -1.237 4.133 -3.426) 5.509 11.628 ( -3.324 -0.275 -15.258) 15.618 12.419 ( 0.988 -0.851 17.973) 18.020 13.407 ( 10.180 6.300 -3.709) 12.533 13.931 ( 6.316 -12.852 1.849) 14.439 14.434 ( -4.746 1.308 7.294) 8.800 15.003 ( -2.352 -3.770 -13.866) 14.561 15.298 ( -3.295 -2.410 -5.132) 6.557 16.772 ( -31.086 -19.223 13.226) 38.869 17.697 ( -8.336 7.756 -10.405) 15.425 19.122 ( 8.434 0.979 -2.100) 8.746 19.277 ( -5.639 -7.070 -5.293) 10.479 20.858 ( -13.872 -0.220 11.976) 18.327 21.254 ( 35.190 -9.861 5.551) 36.964 23.575 ( 11.213 11.188 -1.927) 15.956 23.907 ( -4.460 0.594 -6.065) 7.551 ======================= Grid point 300 (152/260) ======================= q-point: ( 0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 9.111 11.944 16.721) 22.478 2.318 ( -3.018 16.744 22.338) 28.079 2.918 ( 2.160 -1.128 -0.299) 2.455 3.278 ( 0.753 -0.924 -4.146) 4.314 3.858 ( -1.037 3.816 -16.203) 16.678 4.094 ( -10.975 -0.823 11.611) 15.998 4.337 ( 5.935 6.456 -3.121) 9.309 4.404 ( 13.858 13.225 24.937) 31.445 5.358 ( 1.292 -4.379 -4.801) 6.626 5.672 ( 5.039 6.394 0.697) 8.171 6.096 ( -9.911 -8.691 11.357) 17.399 6.389 ( 2.363 -0.903 -1.917) 3.174 6.786 ( -1.293 -6.497 6.882) 9.552 7.372 ( 6.976 1.760 -8.070) 10.812 7.509 ( -11.106 0.170 -15.366) 18.960 8.020 ( 11.508 10.796 -12.427) 20.085 8.621 ( -7.612 3.660 0.458) 8.458 8.933 ( 0.517 13.325 -3.325) 13.744 9.714 ( -0.923 -4.178 12.456) 13.170 10.544 ( -5.391 -5.393 -13.423) 15.438 10.936 ( 4.366 -0.207 -0.576) 4.408 11.647 ( 4.858 0.666 -10.443) 11.537 12.441 ( 0.719 2.042 13.446) 13.619 13.555 ( 3.563 7.226 -8.102) 11.426 14.018 ( 1.779 -13.303 3.494) 13.869 14.323 ( -5.988 5.881 0.165) 8.395 14.920 ( -4.957 -9.123 -4.711) 11.401 15.273 ( 0.030 2.395 -5.688) 6.171 16.044 ( -30.792 -10.969 21.050) 38.879 17.671 ( 1.524 6.742 -1.238) 7.022 19.117 ( -8.619 -13.944 -4.052) 16.886 19.162 ( -3.497 2.632 -1.857) 4.754 20.585 ( -11.574 8.324 8.711) 16.707 22.021 ( 34.768 -18.352 -2.534) 39.396 23.708 ( -3.746 5.266 -8.213) 10.451 23.828 ( 2.173 4.219 -2.692) 5.456 ======================= Grid point 301 (153/260) ======================= q-point: ( 0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 2.048 13.546 19.512) 23.842 2.336 ( 9.629 11.819 10.897) 18.739 2.948 ( 0.403 -5.336 -3.644) 6.474 3.373 ( 8.169 -4.738 -5.148) 10.755 3.768 ( -7.497 1.696 -16.183) 17.916 3.860 ( -8.654 1.551 -6.476) 10.920 4.400 ( -1.325 -4.546 15.622) 16.324 4.729 ( 12.975 13.474 11.364) 21.887 5.354 ( 1.423 -3.844 -0.344) 4.113 5.738 ( -1.385 -1.811 3.278) 3.993 5.993 ( 0.455 -1.366 4.994) 5.197 6.478 ( 6.547 -0.101 -3.890) 7.616 6.779 ( 0.381 -4.017 9.438) 10.264 7.253 ( -9.712 -0.703 -14.755) 17.678 7.521 ( 3.922 7.261 -0.497) 8.268 8.193 ( 4.652 8.205 -0.505) 9.446 8.521 ( 0.258 7.342 -6.836) 10.035 8.902 ( -4.114 10.647 -0.079) 11.414 9.665 ( -4.277 -0.918 7.702) 8.857 10.384 ( -8.740 -5.177 -13.640) 17.007 11.045 ( 6.240 -5.119 0.202) 8.074 11.771 ( 6.673 -0.492 -1.848) 6.941 12.452 ( -0.921 2.730 9.044) 9.492 13.524 ( -5.869 5.325 -11.771) 14.190 14.025 ( -0.820 -5.191 2.439) 5.794 14.203 ( -5.060 5.584 -3.550) 8.330 14.759 ( -10.901 -4.784 4.562) 12.749 15.232 ( -2.873 4.090 -1.365) 5.181 15.763 ( 2.521 -2.925 13.289) 13.838 17.735 ( 5.605 1.450 4.643) 7.422 18.755 ( -23.967 -15.930 -1.518) 28.819 19.173 ( 2.764 -0.788 -2.365) 3.722 20.402 ( -6.882 13.738 8.171) 17.403 22.621 ( 23.388 -19.111 -6.085) 30.810 23.498 ( -13.097 1.713 -11.320) 17.396 23.909 ( 3.031 4.694 -1.885) 5.896 ======================= Grid point 302 (154/260) ======================= q-point: ( 0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 2.521 8.462 13.983) 16.537 2.606 ( 13.038 5.672 4.607) 14.946 2.912 ( -4.501 -4.549 -5.309) 8.315 3.553 ( 6.072 -6.467 -10.329) 13.616 3.612 ( -4.420 -2.620 -9.593) 10.883 3.738 ( -1.306 1.907 -13.882) 14.073 4.274 ( -10.868 -9.411 12.594) 19.113 4.847 ( -1.805 1.898 -4.324) 5.055 5.502 ( 11.897 3.614 10.964) 16.577 5.711 ( 0.769 -0.787 8.378) 8.450 6.024 ( 1.470 1.396 1.736) 2.669 6.605 ( 2.784 -2.313 1.583) 3.950 6.833 ( 4.646 1.037 5.246) 7.084 7.091 ( -3.931 0.154 -7.445) 8.420 7.514 ( -4.866 6.201 1.268) 7.984 8.267 ( 3.800 4.168 7.757) 9.591 8.612 ( 5.106 12.789 -5.711) 14.908 8.795 ( -2.691 10.048 -1.866) 10.568 9.531 ( -9.112 0.351 0.481) 9.132 10.197 ( -8.340 -0.230 -8.947) 12.233 11.198 ( 8.468 -8.255 3.690) 12.388 11.914 ( 7.297 -3.477 3.059) 8.643 12.378 ( -6.866 1.171 5.281) 8.740 13.350 ( -9.187 5.675 -7.972) 13.422 13.985 ( -3.085 2.510 -1.866) 4.393 14.113 ( -4.549 6.332 -2.111) 8.077 14.538 ( -8.593 -1.866 5.858) 10.566 15.247 ( 4.419 4.398 -4.010) 7.413 15.975 ( 14.901 1.036 5.141) 15.797 17.907 ( 6.169 -7.435 5.960) 11.351 18.227 ( -20.850 -9.396 1.502) 22.919 19.215 ( 0.118 -0.599 -1.772) 1.874 20.295 ( -3.768 12.124 9.996) 16.159 22.984 ( 9.837 -13.879 -13.338) 21.617 23.205 ( -11.493 -2.064 -6.222) 13.231 23.940 ( 0.182 3.023 -2.251) 3.774 ======================= Grid point 303 (155/260) ======================= q-point: ( 0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 5.536 1.863 6.075) 8.428 2.718 ( -11.117 -3.855 -6.225) 13.312 2.848 ( 7.231 3.217 -0.689) 7.944 3.515 ( -4.767 2.621 -19.175) 19.932 3.605 ( 3.574 -7.495 -6.020) 10.256 3.777 ( -6.623 -14.510 7.045) 17.437 4.101 ( 2.133 -3.842 -3.927) 5.893 4.726 ( -7.654 -4.328 -13.131) 15.803 5.696 ( 4.438 -1.238 13.044) 13.833 5.850 ( 11.663 8.639 10.426) 17.871 6.067 ( 2.454 1.450 4.876) 5.648 6.559 ( -6.184 3.492 10.537) 12.707 6.856 ( -0.958 -0.764 -5.039) 5.186 7.136 ( 0.194 3.174 -0.185) 3.185 7.435 ( 4.401 0.849 3.153) 5.480 8.245 ( -8.345 12.832 5.212) 16.170 8.704 ( 8.391 1.289 7.837) 11.554 8.882 ( 5.272 9.801 -6.527) 12.902 9.318 ( -8.522 2.707 -6.407) 11.000 10.032 ( -7.710 7.037 -5.564) 11.829 11.392 ( 9.663 -7.524 11.831) 17.028 12.067 ( 4.300 -9.775 5.419) 11.975 12.206 ( -5.850 1.751 -1.603) 6.314 13.160 ( -9.031 3.568 -5.930) 11.378 13.908 ( -4.781 8.283 0.800) 9.597 13.979 ( -6.508 13.377 -6.219) 16.124 14.461 ( 0.163 -5.437 8.151) 9.799 15.361 ( 5.693 0.435 -10.098) 11.601 16.353 ( 21.533 3.309 1.720) 21.853 17.552 ( -25.272 -13.578 -1.025) 28.707 18.369 ( 19.007 -0.883 8.483) 20.833 19.137 ( -7.809 5.158 -0.497) 9.372 20.276 ( 1.774 4.497 13.583) 14.417 22.767 ( -18.412 -1.128 -23.832) 30.137 23.299 ( 9.594 -12.235 3.107) 15.855 23.916 ( -2.293 2.228 -3.369) 4.645 ======================= Grid point 304 (156/260) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -14.089 1.707 -1.449) 14.266 2.462 ( 5.694 -2.268 -3.768) 7.195 2.962 ( 3.548 -1.711 -6.251) 7.389 3.399 ( -12.384 -8.067 8.550) 17.075 3.479 ( -9.294 -2.223 -11.527) 14.973 3.697 ( 3.098 -10.211 -0.804) 10.701 4.310 ( 12.398 -2.197 -10.864) 16.631 4.585 ( -3.612 -4.558 -15.701) 16.743 5.770 ( 2.526 -3.401 11.017) 11.803 6.045 ( 4.490 6.909 5.011) 9.643 6.069 ( -4.588 3.875 16.719) 17.765 6.460 ( -0.900 6.242 8.156) 10.310 6.910 ( 7.846 0.331 -2.514) 8.246 6.971 ( -11.246 0.970 0.315) 11.292 7.726 ( 17.535 3.384 3.334) 18.167 8.026 ( -10.518 11.823 2.772) 16.065 8.729 ( -15.514 -8.120 1.599) 17.584 8.944 ( 9.424 1.385 6.606) 11.592 9.363 ( 11.678 14.921 -10.384) 21.606 9.860 ( -8.753 12.150 -6.385) 16.279 11.576 ( 5.527 0.625 20.190) 20.942 11.927 ( -8.566 -7.997 3.337) 12.185 12.342 ( 11.206 -8.520 -5.037) 14.951 12.964 ( -9.706 -0.902 -8.497) 12.931 13.755 ( -7.924 14.306 0.799) 16.373 13.951 ( 3.478 16.926 -3.835) 17.700 14.498 ( 2.119 -8.730 8.319) 12.243 15.450 ( 3.477 -5.511 -11.414) 13.143 16.849 ( 23.836 4.123 -0.780) 24.203 17.111 ( -14.205 -8.702 -1.827) 16.758 18.720 ( 6.357 0.926 7.873) 10.162 18.964 ( -1.285 8.538 -1.084) 8.702 20.380 ( 7.287 -3.550 19.231) 20.870 22.354 ( -20.134 -2.670 -25.219) 32.380 23.457 ( 4.696 -5.483 3.225) 7.907 23.855 ( -2.721 0.292 -4.851) 5.570 ======================= Grid point 305 (157/260) ======================= q-point: (-0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -13.118 8.197 3.522) 15.865 2.607 ( 7.003 -4.936 -7.610) 11.460 2.932 ( -13.556 -6.607 7.572) 16.875 3.097 ( -3.348 -9.521 6.463) 11.985 3.449 ( 1.934 8.242 -20.535) 22.212 3.698 ( -3.071 -7.017 2.046) 7.928 4.481 ( 4.927 0.126 -14.452) 15.269 4.638 ( 8.067 -3.198 -7.979) 11.788 5.728 ( -11.819 3.636 14.877) 19.345 5.939 ( -0.940 0.037 10.734) 10.775 6.094 ( -0.032 5.033 5.770) 7.656 6.487 ( 0.412 -1.756 7.188) 7.411 6.772 ( -6.182 -0.215 -1.429) 6.348 7.189 ( 17.949 4.926 -1.383) 18.664 7.787 ( -8.640 9.288 1.268) 12.748 8.112 ( 12.004 0.816 4.329) 12.787 8.350 ( -16.219 -8.560 0.773) 18.356 9.104 ( 4.570 1.234 6.850) 8.326 9.648 ( 13.821 14.829 -10.946) 23.037 9.676 ( -7.117 13.223 -6.001) 16.171 11.511 ( -10.568 10.884 5.552) 16.155 11.926 ( 6.474 -12.112 19.146) 23.563 12.558 ( 9.218 -10.625 -4.774) 14.854 12.743 ( -11.674 -1.852 -9.854) 15.388 13.632 ( -3.426 11.447 -4.059) 12.619 14.115 ( 12.502 19.439 0.083) 23.113 14.541 ( 1.831 -10.319 6.553) 12.360 15.504 ( 2.300 -8.649 -8.760) 12.523 16.823 ( -6.689 -6.835 -6.063) 11.323 17.458 ( 27.022 6.747 2.230) 27.941 18.551 ( -11.463 7.509 4.856) 14.538 19.170 ( 10.273 -0.687 -1.988) 10.486 20.584 ( 11.330 -7.486 25.698) 29.066 21.921 ( -20.567 -3.353 -25.354) 32.819 23.456 ( -4.925 3.564 0.130) 6.080 23.845 ( 2.350 -3.613 -3.642) 5.642 ======================= Grid point 306 (158/260) ======================= q-point: (-0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -5.665 14.480 13.441) 20.553 2.534 ( -17.282 -7.548 20.783) 28.064 2.774 ( 5.397 -5.667 -10.767) 13.311 3.174 ( 7.054 -0.091 -1.025) 7.129 3.494 ( 1.634 4.468 -10.685) 11.696 3.619 ( -2.113 4.449 -6.522) 8.172 4.564 ( 2.973 1.487 -7.077) 7.819 4.786 ( 5.803 0.760 -4.403) 7.324 5.385 ( -19.159 12.725 16.116) 28.085 5.933 ( -4.215 3.601 6.774) 8.754 6.131 ( 5.727 -6.401 6.450) 10.741 6.485 ( 1.061 -7.945 4.338) 9.114 6.730 ( 0.804 -3.230 -4.297) 5.435 7.539 ( 9.181 7.395 -8.086) 14.295 7.628 ( -6.073 0.523 7.006) 9.286 7.897 ( -12.489 -8.274 0.167) 14.982 8.483 ( 13.155 4.328 5.445) 14.881 9.106 ( -4.588 7.675 -3.069) 9.454 9.557 ( -2.235 8.986 -2.291) 9.539 9.941 ( 13.417 10.647 -7.765) 18.806 11.280 ( -10.614 10.974 -1.629) 15.354 12.092 ( 7.695 -6.984 23.359) 25.566 12.452 ( -15.247 -4.069 -9.718) 18.533 12.737 ( 8.353 -5.494 -1.981) 10.192 13.610 ( 1.188 6.430 -6.006) 8.879 14.419 ( 13.247 7.361 -2.270) 15.324 14.603 ( 6.013 -1.035 4.678) 7.689 15.528 ( 0.013 -9.067 -5.405) 10.555 16.785 ( 3.053 -1.465 -8.692) 9.328 17.928 ( 15.774 0.582 13.408) 20.710 18.455 ( 5.485 7.995 -4.584) 10.725 19.252 ( -2.660 -8.360 -3.877) 9.591 20.846 ( 11.396 -7.335 27.064) 30.268 21.488 ( -19.796 -1.543 -20.092) 28.248 23.314 ( -6.971 6.675 -3.275) 10.192 23.913 ( 3.443 -2.493 -2.503) 4.933 ======================= Grid point 307 (159/260) ======================= q-point: (-0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 2.584 16.333 21.593) 27.197 2.224 ( -12.013 0.167 24.188) 27.007 2.877 ( 4.168 -7.609 -7.041) 11.174 3.339 ( 6.492 7.901 -4.780) 11.288 3.470 ( 0.504 3.470 3.834) 5.195 3.681 ( 6.548 11.273 -13.783) 18.972 4.538 ( -6.839 4.169 6.053) 10.040 4.888 ( 4.331 4.568 -2.653) 6.831 5.019 ( -14.881 13.622 9.005) 22.093 5.810 ( -6.086 5.735 4.598) 9.543 6.292 ( 7.571 -11.931 6.708) 15.642 6.533 ( 1.345 -7.530 10.650) 13.112 6.779 ( 4.893 -8.085 -13.388) 16.388 7.345 ( -18.381 -10.001 8.707) 22.664 7.496 ( -2.784 2.597 -11.079) 11.715 7.996 ( 8.584 4.711 -6.329) 11.659 8.713 ( 8.460 5.049 6.390) 11.743 8.972 ( -5.836 15.365 -11.707) 20.179 9.557 ( 1.291 1.500 5.320) 5.676 10.192 ( 11.208 7.246 -6.981) 15.062 11.093 ( -7.324 10.001 -3.429) 12.861 12.100 ( -15.042 1.056 -11.651) 19.055 12.266 ( 5.149 -8.919 22.923) 25.130 12.930 ( 10.600 -1.732 -0.630) 10.759 13.667 ( 4.509 0.645 -4.492) 6.397 14.528 ( 0.429 -10.240 6.255) 12.007 14.843 ( 12.243 14.034 -10.103) 21.188 15.495 ( -2.979 -8.348 -3.955) 9.706 16.899 ( 6.999 1.064 -6.076) 9.330 18.221 ( 16.751 -4.230 14.899) 22.814 18.642 ( 1.918 -2.197 -13.559) 13.869 19.132 ( -2.081 -9.278 -0.840) 9.545 20.927 ( -8.934 -1.679 1.697) 9.247 21.193 ( -4.146 -1.704 12.051) 12.857 23.231 ( 0.372 8.570 -3.566) 9.290 23.966 ( 1.540 -0.549 -3.174) 3.571 ======================= Grid point 308 (160/260) ======================= q-point: (-0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -3.593 9.884 22.586) 24.915 2.168 ( 5.811 10.550 25.765) 28.441 2.921 ( 0.065 -3.762 -2.550) 4.546 3.355 ( -1.022 10.863 -2.410) 11.174 3.642 ( 11.949 7.659 3.850) 14.706 3.816 ( 6.440 10.346 -8.206) 14.692 4.327 ( -10.712 5.158 18.196) 21.736 4.731 ( -12.418 12.243 1.106) 17.474 5.035 ( 8.114 4.502 -3.369) 9.872 5.717 ( -3.254 5.082 2.252) 6.441 6.388 ( 0.661 -10.290 5.087) 11.498 6.494 ( -5.663 -8.005 16.193) 18.930 6.899 ( 2.822 -7.887 -10.644) 13.545 7.063 ( -4.351 -7.459 2.375) 8.956 7.520 ( 6.309 0.851 -14.796) 16.108 8.019 ( -5.742 2.930 -14.404) 15.781 8.816 ( 0.726 7.638 5.691) 9.552 8.910 ( 0.126 18.443 -12.151) 22.087 9.609 ( 3.430 -4.331 10.808) 12.138 10.405 ( 9.788 3.832 -6.128) 12.167 10.968 ( -4.853 7.302 -4.135) 9.694 11.799 ( -11.984 -1.227 -14.716) 19.018 12.370 ( 3.169 -4.236 21.620) 22.258 13.169 ( 12.238 2.627 -1.477) 12.604 13.787 ( 6.901 -6.434 -1.384) 9.536 14.507 ( -2.545 -5.851 9.465) 11.415 15.001 ( 3.699 7.302 -16.050) 18.017 15.403 ( -5.492 -6.673 -4.693) 9.834 17.017 ( 2.418 -6.973 2.587) 7.821 18.174 ( -28.921 -1.708 -16.001) 33.096 18.774 ( 22.540 -12.393 4.689) 26.146 19.278 ( 7.802 -3.033 -2.906) 8.861 20.786 ( 4.178 2.607 4.250) 6.505 21.110 ( -8.284 -4.027 17.323) 19.619 23.342 ( 9.819 10.923 -1.813) 14.799 23.968 ( -1.251 0.398 -4.557) 4.742 ======================= Grid point 309 (161/260) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 2.414 9.542 16.241) 18.991 2.490 ( 5.270 6.772 16.515) 18.611 2.890 ( 0.158 -0.276 2.592) 2.612 3.518 ( -3.065 10.010 4.387) 11.351 3.934 ( 1.557 3.435 1.456) 4.043 4.076 ( 2.857 2.020 4.199) 5.466 4.456 ( 5.187 16.244 1.533) 17.121 4.664 ( -13.539 11.975 8.359) 19.915 5.265 ( 3.571 1.733 -6.279) 7.428 5.765 ( 1.844 4.771 2.055) 5.513 6.073 ( -11.082 -16.595 13.196) 23.924 6.215 ( 1.822 -8.981 0.707) 9.191 6.771 ( -4.279 -0.419 1.718) 4.630 7.113 ( 14.049 -3.846 -5.098) 15.432 7.777 ( -0.012 3.214 -17.728) 18.017 7.857 ( 4.770 0.865 -13.540) 14.382 8.888 ( -7.945 6.653 5.752) 11.852 9.311 ( 0.774 20.678 -9.951) 22.961 9.572 ( 1.996 -4.409 12.162) 13.089 10.473 ( 0.228 -8.224 -11.043) 13.770 10.996 ( -5.294 5.487 -0.405) 7.635 11.564 ( -1.139 -5.016 -7.889) 9.418 12.460 ( 3.344 4.251 18.088) 18.879 13.526 ( 12.255 4.723 -2.755) 13.420 13.657 ( 2.171 -13.596 2.734) 14.037 14.372 ( 0.938 -6.621 10.817) 12.717 15.050 ( -10.256 7.522 -24.040) 27.197 15.276 ( 1.831 -0.101 -7.544) 7.764 16.413 ( -29.489 -17.455 20.106) 39.731 17.832 ( -3.611 6.070 -11.497) 13.494 19.111 ( -4.342 -6.171 -7.092) 10.355 19.159 ( 6.062 -0.723 -4.918) 7.839 20.862 ( -7.069 0.568 11.428) 13.450 21.116 ( 23.496 -4.754 8.470) 25.425 23.725 ( 10.155 4.645 -1.877) 11.323 23.926 ( -4.620 1.366 -6.026) 7.715 ======================= Grid point 310 (162/260) ======================= q-point: ( 0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 7.624 8.256 13.270) 17.389 2.587 ( 2.783 9.782 16.234) 19.156 2.883 ( -0.458 -0.969 0.764) 1.316 3.389 ( -7.195 11.052 3.031) 13.532 3.910 ( -2.991 1.258 -9.700) 10.228 4.051 ( -6.504 -2.792 13.018) 14.817 4.410 ( -6.718 2.052 -2.624) 7.499 4.741 ( 14.666 19.306 12.616) 27.331 5.267 ( -1.689 -4.223 -4.519) 6.411 5.770 ( -3.480 1.107 3.783) 5.258 5.935 ( -0.299 -6.065 6.683) 9.029 6.290 ( 5.179 -8.513 -1.265) 10.045 6.719 ( -0.789 -0.658 2.926) 3.101 7.397 ( 12.173 0.665 -2.863) 12.523 7.503 ( -12.831 -0.475 -14.979) 19.729 8.214 ( 16.434 8.604 -12.780) 22.526 8.689 ( -9.413 3.176 3.429) 10.510 9.257 ( -4.368 19.644 -8.195) 21.729 9.638 ( 2.382 -3.435 14.438) 15.031 10.387 ( -7.048 -11.085 -15.234) 20.116 10.954 ( 0.642 1.745 0.318) 1.886 11.602 ( 3.982 -4.191 -1.146) 5.894 12.526 ( 2.255 5.824 14.350) 15.650 13.662 ( 0.907 2.418 -10.892) 11.194 13.779 ( 8.940 -9.098 7.307) 14.700 14.388 ( -0.538 -1.490 8.462) 8.609 14.813 ( -10.017 0.331 -19.480) 21.907 15.340 ( 3.621 3.991 -7.736) 9.428 15.829 ( -22.944 -10.891 22.602) 33.998 17.810 ( -0.674 7.563 -2.580) 8.019 18.820 ( -16.505 -15.172 -6.061) 23.224 19.227 ( -1.868 2.961 -3.293) 4.806 20.738 ( -5.177 7.206 8.664) 12.401 21.722 ( 30.702 -12.477 1.638) 33.181 23.774 ( -8.841 2.296 -9.331) 13.058 23.893 ( 5.012 2.085 -0.756) 5.480 ======================= Grid point 311 (163/260) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 7.451 6.322 10.966) 14.688 2.606 ( -0.626 15.408 14.133) 20.918 2.879 ( 0.063 -1.419 -1.287) 1.917 3.319 ( 1.101 -0.174 0.473) 1.212 3.778 ( -9.568 -0.075 -4.416) 10.539 3.887 ( -7.246 -0.861 -6.181) 9.563 4.289 ( -6.961 -5.681 4.361) 9.987 4.928 ( -0.733 4.289 -5.453) 6.976 5.329 ( 10.778 3.845 10.314) 15.405 5.705 ( -0.959 -1.026 6.505) 6.655 5.993 ( 3.486 0.805 1.443) 3.858 6.411 ( 6.297 -6.887 -0.724) 9.360 6.743 ( 3.240 0.345 5.241) 6.171 7.241 ( -9.789 -0.493 -13.311) 16.530 7.626 ( 6.504 3.751 1.991) 7.768 8.322 ( -4.133 5.080 6.386) 9.147 8.697 ( 10.918 9.245 -12.677) 19.115 9.137 ( -7.360 14.067 -2.139) 16.020 9.654 ( -2.001 0.095 9.146) 9.363 10.224 ( -6.669 -11.639 -15.644) 20.608 10.991 ( 2.641 -0.451 -0.573) 2.740 11.693 ( 4.262 -6.567 6.249) 10.017 12.549 ( -1.029 6.350 9.598) 11.555 13.607 ( -5.955 3.941 -12.553) 14.442 13.946 ( 6.697 -2.827 6.284) 9.609 14.329 ( -4.952 5.552 -2.426) 7.825 14.647 ( -6.323 -5.913 -2.007) 8.886 15.315 ( -3.831 4.139 0.656) 5.678 15.702 ( 8.754 -2.912 6.015) 11.014 17.781 ( -1.070 3.385 4.165) 5.473 18.436 ( -20.491 -15.803 -1.996) 25.954 19.191 ( 0.027 1.622 -3.550) 3.903 20.637 ( -5.521 10.323 8.404) 14.411 22.293 ( 23.874 -14.373 -2.163) 27.950 23.532 ( -13.868 1.628 -11.943) 18.374 23.959 ( 1.650 1.029 -0.838) 2.117 ======================= Grid point 312 (164/260) ======================= q-point: ( 0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -2.145 12.097 14.774) 19.214 2.667 ( 4.920 3.000 1.348) 5.918 2.870 ( -1.428 -0.555 -2.090) 2.591 3.391 ( 3.535 -9.291 1.403) 10.039 3.597 ( -5.653 0.311 -2.132) 6.050 3.738 ( -7.269 -4.236 -9.779) 12.900 4.116 ( -8.228 -4.196 -6.133) 11.087 4.792 ( -9.247 -6.635 -15.411) 19.158 5.584 ( 8.695 3.207 17.379) 19.695 5.789 ( 10.050 8.952 8.905) 16.138 6.046 ( 1.896 1.132 0.488) 2.261 6.526 ( 3.862 -5.944 3.302) 7.820 6.869 ( 7.311 2.390 4.206) 8.767 7.095 ( -2.315 0.260 -6.867) 7.251 7.587 ( -9.555 1.984 3.053) 10.225 8.353 ( 7.707 4.195 10.468) 13.660 8.904 ( -0.964 16.223 -4.730) 16.926 8.968 ( -0.213 7.667 -4.347) 8.816 9.539 ( -8.599 0.814 -1.294) 8.734 10.141 ( -0.916 -6.336 -9.837) 11.736 11.067 ( 5.012 -4.359 0.037) 6.642 11.783 ( 4.277 -8.676 9.723) 13.715 12.481 ( -5.785 7.923 5.272) 11.138 13.412 ( -11.859 0.429 -8.919) 14.845 14.054 ( 3.171 4.871 5.846) 8.244 14.237 ( -2.815 6.199 -4.204) 8.001 14.515 ( -6.408 -1.360 5.106) 8.306 15.312 ( 2.468 2.616 -8.050) 8.817 15.994 ( 17.657 0.741 -1.889) 17.774 17.724 ( -12.348 -10.301 5.676) 17.053 18.106 ( -1.949 -3.414 5.426) 6.700 19.218 ( 1.802 0.596 -3.443) 3.932 20.508 ( -7.324 9.498 10.002) 15.617 22.709 ( 16.596 -12.953 -4.691) 21.569 23.200 ( -17.045 0.334 -12.201) 20.965 23.971 ( -0.291 0.595 -1.684) 1.810 ======================= Grid point 313 (165/260) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -0.233 7.946 11.091) 13.645 2.664 ( -6.742 -1.459 -4.644) 8.316 2.852 ( 0.984 -2.310 -1.513) 2.932 3.366 ( -7.242 -15.927 13.449) 22.068 3.565 ( -7.118 -5.274 -6.310) 10.876 3.585 ( 2.311 1.278 -10.280) 10.614 4.053 ( 4.215 -0.239 -18.114) 18.600 4.588 ( -8.758 -9.374 -19.469) 23.315 5.702 ( 3.664 1.863 14.152) 14.737 6.041 ( 10.167 8.156 15.424) 20.194 6.097 ( 3.350 3.714 1.070) 5.115 6.556 ( -0.965 -3.480 9.141) 9.828 6.893 ( -1.705 3.741 -2.911) 5.038 7.205 ( 0.446 4.039 1.894) 4.483 7.425 ( 4.777 -1.846 1.816) 5.434 8.477 ( -3.936 10.357 6.972) 13.091 8.742 ( -1.521 2.820 9.318) 9.853 9.002 ( -6.886 2.141 -4.276) 8.384 9.452 ( 5.077 11.047 -11.333) 16.620 10.128 ( -1.310 2.126 -6.854) 7.294 11.211 ( 9.019 -9.583 5.050) 14.095 11.886 ( 5.241 -8.457 8.130) 12.849 12.334 ( -7.891 10.127 2.909) 13.164 13.138 ( -13.592 -5.422 -8.559) 16.953 14.076 ( -1.680 8.811 7.517) 11.703 14.210 ( 0.290 8.019 -2.214) 8.324 14.413 ( -3.087 1.578 4.473) 5.659 15.344 ( 0.562 -1.723 -14.550) 14.663 16.420 ( 23.807 3.402 -4.030) 24.384 17.301 ( -22.272 -11.692 1.752) 25.215 18.360 ( 19.161 -0.037 10.983) 22.085 19.222 ( -2.064 3.523 -2.321) 4.697 20.364 ( -6.218 4.346 13.545) 15.525 22.737 ( -18.076 -1.956 -24.955) 30.876 23.087 ( 11.803 -9.212 6.861) 16.470 23.944 ( -2.415 0.827 -3.571) 4.389 ======================= Grid point 314 (166/260) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 2.791 2.019 5.813) 6.757 2.465 ( -10.336 2.302 -1.925) 10.763 2.881 ( 2.000 -6.676 -2.111) 7.282 3.109 ( -16.050 -14.525 16.623) 27.293 3.478 ( -1.269 -1.994 -9.387) 9.680 3.654 ( 3.693 3.296 -10.888) 11.961 4.229 ( 11.801 -5.090 -16.656) 21.038 4.451 ( -2.783 -8.675 -21.726) 23.559 5.762 ( 1.393 2.241 12.630) 12.902 6.112 ( -2.077 1.069 9.987) 10.256 6.183 ( 1.179 6.260 9.920) 11.789 6.520 ( -2.023 0.636 9.733) 9.961 6.958 ( 8.598 4.309 -0.961) 9.665 7.024 ( -9.705 3.339 1.441) 10.364 7.772 ( 20.301 1.401 1.384) 20.396 8.225 ( -15.464 8.814 4.614) 18.388 8.596 ( -17.890 -5.585 2.799) 18.949 8.982 ( 7.883 2.218 6.177) 10.257 9.660 ( 12.549 15.064 -9.837) 21.935 10.052 ( -5.745 7.414 -9.330) 13.229 11.439 ( 12.255 -11.444 14.488) 22.159 11.951 ( -2.681 5.266 0.057) 5.910 12.227 ( 0.869 -1.007 3.718) 3.949 12.867 ( -11.687 -8.846 -10.828) 18.223 13.979 ( -7.103 9.391 5.026) 12.803 14.276 ( 6.085 8.459 0.801) 10.451 14.381 ( -0.851 3.035 5.348) 6.208 15.333 ( -0.310 -6.145 -14.299) 15.567 16.855 ( -3.853 -4.722 -2.659) 6.650 17.022 ( 18.066 0.802 -3.413) 18.403 18.731 ( 11.493 0.413 9.415) 14.862 19.133 ( -4.180 8.329 -1.898) 9.511 20.306 ( 0.772 -3.890 19.886) 20.277 22.304 ( -21.100 -2.262 -23.479) 31.647 23.348 ( 11.710 -5.360 4.608) 13.678 23.864 ( -5.024 0.553 -5.878) 7.753 ======================= Grid point 315 (167/260) ======================= q-point: (-0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -7.153 7.966 4.612) 11.657 2.526 ( 2.419 -3.476 2.889) 5.126 2.793 ( -13.716 -6.869 11.753) 19.324 2.965 ( 6.896 -5.980 2.714) 9.523 3.472 ( 0.720 -1.331 -5.690) 5.887 3.714 ( 2.704 5.595 -13.589) 14.942 4.448 ( 6.604 -3.188 -20.203) 21.493 4.496 ( 10.464 -10.742 -13.799) 20.379 5.762 ( -2.664 2.331 13.305) 13.768 5.990 ( -8.493 2.935 12.856) 15.685 6.171 ( -1.121 1.790 5.624) 6.008 6.485 ( -3.014 2.192 5.984) 7.050 6.802 ( -8.963 2.552 1.413) 9.425 7.288 ( 19.616 4.766 1.235) 20.224 7.907 ( -15.461 2.500 8.395) 17.769 8.095 ( -4.437 -0.560 -2.416) 5.083 8.266 ( 2.323 -1.524 1.134) 3.001 9.145 ( 6.268 2.699 8.830) 11.160 9.896 ( -7.705 9.252 -11.168) 16.422 9.909 ( 10.913 11.874 -8.970) 18.454 11.710 ( 12.491 -8.161 22.397) 26.912 11.773 ( -11.386 13.932 -7.019) 19.313 12.357 ( 7.342 -9.016 2.964) 11.999 12.658 ( -7.296 -7.717 -11.847) 15.910 13.828 ( -6.895 8.703 0.156) 11.105 14.341 ( -1.110 -7.799 5.530) 9.625 14.482 ( 11.550 15.590 2.582) 19.573 15.335 ( 0.879 -8.758 -10.180) 13.457 16.712 ( -1.415 -4.239 -6.999) 8.304 17.580 ( 26.452 5.576 -3.471) 27.256 18.686 ( -10.801 6.069 7.636) 14.553 19.160 ( 2.211 -0.307 -3.460) 4.117 20.436 ( 10.694 -7.330 26.997) 29.949 21.868 ( -19.910 -2.046 -21.145) 29.116 23.520 ( 2.006 2.961 0.041) 3.577 23.774 ( -0.530 -3.597 -5.133) 6.290 ======================= Grid point 316 (168/260) ======================= q-point: (-0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -1.313 13.359 11.816) 17.883 2.444 ( -10.219 -2.169 18.780) 21.490 2.679 ( 2.348 -3.732 -4.030) 5.974 3.172 ( 12.220 -3.829 6.672) 14.439 3.496 ( 1.649 2.803 -2.628) 4.181 3.773 ( 4.199 7.874 -17.203) 19.380 4.576 ( 6.295 -0.529 -15.937) 17.144 4.720 ( 10.353 -7.627 -9.747) 16.136 5.603 ( -13.269 9.190 16.941) 23.399 5.889 ( -1.291 -3.690 8.986) 9.800 6.157 ( -1.633 3.506 5.888) 7.045 6.390 ( -3.493 -0.523 1.919) 4.020 6.673 ( -4.061 -2.936 -0.885) 5.089 7.571 ( -17.134 -4.164 13.133) 21.986 7.665 ( 4.441 5.157 -6.564) 9.456 7.827 ( 0.562 -1.004 -2.228) 2.507 8.542 ( 13.320 1.888 4.554) 14.203 9.228 ( 1.268 5.257 6.259) 8.271 9.733 ( -6.314 8.508 -13.928) 17.500 10.116 ( 8.969 7.111 -5.431) 12.669 11.527 ( -11.120 13.871 -8.617) 19.756 11.964 ( 10.189 -5.909 22.481) 25.380 12.319 ( -10.415 -8.002 -5.537) 14.254 12.692 ( 10.116 -1.176 -2.420) 10.467 13.711 ( -4.236 4.335 -2.591) 6.592 14.326 ( -0.242 -8.532 3.663) 9.288 14.765 ( 14.854 9.732 -0.043) 17.758 15.344 ( 0.066 -9.800 -6.414) 11.712 16.822 ( 11.290 5.255 -11.060) 16.655 17.928 ( 3.918 -0.754 6.595) 7.708 18.601 ( 7.188 6.831 -1.135) 9.981 19.079 ( -9.409 -9.114 -4.750) 13.934 20.721 ( 13.508 -5.228 28.292) 31.784 21.471 ( -17.439 -0.327 -14.332) 22.575 23.429 ( -6.460 5.156 -6.916) 10.778 23.861 ( 5.971 -2.762 -1.316) 6.709 ======================= Grid point 317 (169/260) ======================= q-point: (-0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -2.372 12.241 17.200) 21.244 2.285 ( -1.782 6.324 17.983) 19.145 2.760 ( 4.756 -3.511 1.048) 6.004 3.416 ( 8.340 -7.564 11.180) 15.867 3.559 ( 6.853 13.566 -6.421) 16.499 3.879 ( 6.349 8.456 -14.096) 17.621 4.632 ( -1.507 4.719 -6.671) 8.309 4.922 ( 9.915 -0.755 -8.920) 13.358 5.298 ( -15.792 13.929 14.439) 25.532 5.848 ( -4.778 -3.155 6.844) 8.923 6.127 ( 1.434 -3.172 7.262) 8.053 6.404 ( 0.334 -5.304 8.802) 10.282 6.631 ( 2.322 -7.359 -11.101) 13.520 7.211 ( -16.261 -4.007 10.600) 19.819 7.516 ( -5.855 -0.360 -11.095) 12.550 8.078 ( 8.668 3.583 -4.349) 10.339 8.779 ( 9.997 2.085 7.150) 12.466 9.222 ( -0.867 9.137 1.469) 9.295 9.634 ( -3.121 7.024 -9.193) 11.983 10.278 ( 7.065 1.804 -5.666) 9.234 11.318 ( -8.746 12.559 -7.680) 17.123 11.968 ( -13.311 -10.115 -5.301) 17.539 12.230 ( 6.026 0.730 18.974) 19.921 12.947 ( 13.831 3.218 -0.485) 14.209 13.648 ( -1.871 -2.347 -1.976) 3.594 14.333 ( 0.591 -9.329 5.314) 10.753 15.045 ( 10.937 6.632 -9.492) 15.928 15.331 ( -0.914 -8.111 -6.471) 10.417 17.010 ( 1.875 10.803 -3.823) 11.612 18.027 ( 14.048 -15.221 9.257) 22.687 18.613 ( -15.552 -1.065 -15.023) 21.649 19.032 ( 11.229 -1.491 -0.701) 11.349 20.907 ( 0.586 -0.712 16.663) 16.689 21.168 ( -9.810 -0.761 3.221) 10.353 23.361 ( 1.615 4.902 -6.369) 8.198 23.958 ( 3.137 -0.207 -2.340) 3.919 ======================= Grid point 318 (170/260) ======================= q-point: (-0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -3.362 9.135 17.832) 20.316 2.369 ( 5.498 9.208 17.063) 20.153 2.853 ( 3.456 -1.110 4.412) 5.713 3.507 ( 2.456 1.431 5.439) 6.137 3.783 ( 11.725 8.793 2.814) 14.924 3.992 ( 4.718 7.218 -9.627) 12.924 4.515 ( -7.865 13.063 3.743) 15.701 4.972 ( -15.078 12.829 7.405) 21.137 5.127 ( 8.709 5.025 -6.895) 12.191 5.761 ( -2.241 -1.668 4.126) 4.982 6.185 ( 1.820 -9.735 4.408) 10.841 6.298 ( -9.571 -11.451 14.825) 21.036 6.788 ( 9.469 -4.195 -10.980) 15.094 6.958 ( -6.688 -3.097 5.135) 8.983 7.524 ( 8.174 -0.220 -13.600) 15.869 8.069 ( -7.989 2.156 -12.314) 14.836 8.948 ( 3.448 6.805 7.278) 10.544 9.238 ( 3.484 10.244 -1.032) 10.869 9.579 ( -2.037 4.954 -1.818) 5.656 10.406 ( 5.499 -3.385 -7.367) 9.797 11.147 ( -8.023 10.485 -3.898) 13.766 11.689 ( -10.690 -8.700 -9.853) 16.942 12.365 ( 5.169 2.362 20.569) 21.339 13.244 ( 14.489 4.815 -1.128) 15.310 13.631 ( 0.243 -9.143 0.582) 9.165 14.350 ( 0.762 -8.748 8.578) 12.275 15.165 ( 1.076 7.407 -16.950) 18.529 15.295 ( -2.524 -3.588 -10.208) 11.111 16.869 ( -14.327 -7.646 14.155) 21.543 18.072 ( -17.624 -6.952 -19.454) 27.155 18.668 ( 28.432 -0.526 0.849) 28.450 19.222 ( 3.424 -2.573 -5.269) 6.790 20.846 ( 0.067 3.349 8.537) 9.171 21.034 ( -6.874 -3.696 14.796) 16.728 23.497 ( 10.561 5.283 -3.257) 12.250 23.983 ( -0.681 1.026 -4.065) 4.248 ======================= Grid point 319 (171/260) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.998 3.656 13.105) 13.751 2.552 ( 4.964 0.555 7.587) 9.084 2.930 ( -1.039 2.902 9.430) 9.921 3.607 ( 5.060 0.377 15.795) 16.590 3.984 ( -2.100 1.872 0.240) 2.823 4.144 ( -0.732 3.494 -2.024) 4.104 4.611 ( -7.438 1.613 -10.612) 13.060 5.016 ( -4.417 19.488 11.949) 23.283 5.311 ( -1.901 4.793 -0.508) 5.181 5.629 ( 0.781 -20.915 10.783) 23.544 5.904 ( -3.808 2.209 3.354) 5.534 6.077 ( 1.533 -4.839 -1.101) 5.194 6.777 ( -5.051 0.427 0.180) 5.072 7.056 ( 16.690 -1.746 -2.826) 17.017 7.817 ( -12.918 1.002 -15.150) 19.935 7.872 ( 19.759 0.534 -14.818) 24.704 8.998 ( -11.427 3.902 7.737) 14.341 9.419 ( 11.069 -3.050 14.827) 18.753 9.767 ( -4.177 16.690 -16.286) 23.690 10.268 ( -3.692 -11.549 -9.800) 15.590 11.075 ( -9.204 2.335 0.446) 9.506 11.486 ( 1.406 -2.372 -3.291) 4.293 12.541 ( 4.717 3.125 17.755) 18.634 13.399 ( 3.522 -7.658 8.755) 12.153 13.642 ( 9.720 3.012 -8.117) 13.016 14.256 ( 1.850 -3.985 9.118) 10.121 15.202 ( -11.228 5.897 -30.649) 33.169 15.280 ( 4.874 0.272 -8.384) 9.701 16.150 ( -28.611 -8.391 27.697) 40.696 17.917 ( 0.220 2.528 -12.119) 12.382 18.997 ( -16.184 -3.711 -7.995) 18.429 19.168 ( 14.659 0.407 -6.560) 16.065 20.873 ( -2.146 0.417 11.034) 11.248 21.060 ( 16.233 -1.343 9.707) 18.962 23.773 ( 9.240 0.930 -0.916) 9.332 23.949 ( -4.528 0.793 -6.346) 7.836 ======================= Grid point 320 (172/260) ======================= q-point: ( 0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 6.058 2.916 10.908) 12.814 2.672 ( 5.966 0.710 6.169) 8.612 2.912 ( -0.461 2.392 7.742) 8.116 3.601 ( -6.763 7.916 13.393) 16.964 3.915 ( -4.554 0.167 -4.607) 6.480 4.004 ( -10.978 -2.067 6.584) 12.967 4.411 ( -9.861 -1.166 -6.273) 11.745 5.049 ( 0.791 7.938 -3.486) 8.705 5.279 ( 3.007 9.562 8.851) 13.372 5.599 ( -0.198 -15.000 11.659) 18.999 5.948 ( 3.931 3.185 -0.120) 5.060 6.140 ( 4.701 -5.471 -2.740) 7.716 6.723 ( -0.172 0.413 0.492) 0.665 7.401 ( 15.930 -0.032 0.585) 15.941 7.497 ( -14.395 -0.145 -15.181) 20.921 8.329 ( 20.260 3.117 -14.322) 25.006 8.735 ( -12.237 1.363 6.456) 13.903 9.557 ( -3.029 2.092 9.640) 10.319 9.669 ( 0.551 14.127 -6.943) 15.751 10.132 ( -8.454 -13.952 -14.311) 21.701 10.987 ( -0.374 1.231 1.283) 1.817 11.529 ( 2.185 -2.556 3.893) 5.144 12.623 ( 2.436 3.301 13.641) 14.245 13.576 ( 12.777 -4.744 8.621) 16.127 13.775 ( 2.881 2.356 -10.622) 11.255 14.302 ( 2.007 -4.280 10.394) 11.418 14.891 ( -15.382 4.303 -30.679) 34.588 15.401 ( 6.248 1.845 -8.129) 10.417 15.661 ( -17.508 -5.467 27.970) 33.448 17.938 ( 0.003 4.715 -3.421) 5.825 18.584 ( -21.069 -7.808 -7.028) 23.542 19.266 ( -1.745 1.072 -4.317) 4.778 20.842 ( -1.911 3.066 8.645) 9.369 21.555 ( 27.603 -4.632 3.458) 28.202 23.804 ( -9.270 0.860 -9.366) 13.206 23.912 ( 4.310 0.292 0.163) 4.323 ======================= Grid point 321 (173/260) ======================= q-point: ( 0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 6.247 1.520 5.669) 8.572 2.783 ( 4.053 2.101 3.958) 6.042 2.928 ( 1.022 4.744 9.844) 10.975 3.393 ( -11.581 7.367 10.305) 17.164 3.731 ( -12.976 -7.334 11.355) 18.738 3.814 ( -6.403 -2.309 -13.052) 14.720 4.240 ( -6.455 0.014 -8.497) 10.671 4.913 ( -10.685 -2.350 -15.979) 19.365 5.459 ( 9.165 5.592 16.997) 20.103 5.705 ( 10.003 0.736 10.546) 14.554 6.017 ( 3.133 1.530 0.221) 3.494 6.263 ( 6.841 -6.442 -0.615) 9.417 6.762 ( 3.900 0.820 2.458) 4.682 7.235 ( -9.665 -0.141 -12.653) 15.923 7.671 ( 7.424 1.074 3.067) 8.104 8.387 ( -7.808 1.687 10.028) 12.821 8.823 ( 16.401 3.385 -14.567) 22.196 9.391 ( -10.117 9.105 2.581) 13.854 9.706 ( -1.398 7.540 0.139) 7.670 9.955 ( -5.474 -15.507 -13.965) 21.575 11.009 ( 1.507 1.301 0.131) 1.995 11.576 ( 2.267 -4.172 9.677) 10.779 12.649 ( -0.498 3.113 9.237) 9.760 13.674 ( -8.241 2.272 -13.124) 15.663 13.925 ( 14.222 0.381 12.393) 18.868 14.335 ( 0.228 -3.363 9.600) 10.174 14.607 ( -9.683 1.109 -23.389) 25.338 15.367 ( -4.169 1.187 7.721) 8.855 15.667 ( 12.461 -0.694 -0.657) 12.498 17.854 ( -8.364 3.427 3.289) 9.619 18.194 ( -15.053 -8.117 -1.957) 17.214 19.216 ( -1.186 0.751 -4.094) 4.328 20.779 ( -4.946 4.008 8.666) 10.753 22.097 ( 23.729 -5.489 -0.349) 24.358 23.555 ( -14.386 0.665 -12.382) 18.992 23.965 ( 1.193 -0.064 0.143) 1.203 ======================= Grid point 322 (174/260) ======================= q-point: ( 0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 2.395 1.073 2.441) 3.584 2.823 ( -0.874 5.849 4.236) 7.275 2.902 ( -5.094 9.328 7.426) 12.965 3.198 ( -7.896 -11.819 11.707) 18.414 3.521 ( -5.482 -6.178 4.356) 9.338 3.683 ( -5.392 0.222 -10.756) 12.034 4.128 ( -3.524 2.705 -18.158) 18.694 4.656 ( -12.583 -5.485 -20.978) 25.069 5.620 ( 6.296 0.916 17.147) 18.289 5.953 ( 10.177 4.713 12.883) 17.081 6.096 ( 5.999 4.749 -0.139) 7.653 6.391 ( 4.689 -6.815 3.484) 8.976 6.907 ( 9.141 1.227 2.865) 9.658 7.099 ( -1.738 0.109 -6.823) 7.042 7.607 ( -11.957 0.381 4.043) 12.628 8.411 ( 8.973 1.621 11.852) 14.953 9.075 ( 3.675 3.179 -7.939) 9.307 9.150 ( -12.148 7.256 6.847) 15.719 9.590 ( -4.371 4.506 -17.359) 18.460 9.974 ( 5.771 -8.774 -4.399) 11.386 11.035 ( 1.105 0.045 0.387) 1.172 11.643 ( 4.061 -4.588 11.646) 13.159 12.614 ( -3.097 4.438 5.639) 7.816 13.392 ( -17.090 -1.341 -9.888) 19.790 14.155 ( 6.363 4.600 15.370) 17.259 14.308 ( -2.445 0.326 1.752) 3.026 14.491 ( -1.620 -0.430 -8.321) 8.488 15.348 ( 0.243 1.030 -9.195) 9.256 16.002 ( 19.721 0.183 -6.870) 20.884 17.572 ( -19.335 -4.475 5.861) 20.694 18.072 ( 5.300 -0.664 7.700) 9.371 19.229 ( 2.070 0.353 -4.203) 4.698 20.638 ( -9.071 3.663 10.166) 14.108 22.530 ( 18.349 -5.071 -2.112) 19.154 23.205 ( -18.421 0.144 -13.343) 22.746 23.974 ( -0.148 -0.043 -1.274) 1.283 ======================= Grid point 323 (175/260) ======================= q-point: ( 0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -1.935 3.887 5.706) 7.171 2.701 ( -10.615 7.154 7.789) 14.984 2.800 ( -3.257 -1.848 -2.464) 4.483 3.046 ( -7.519 -14.999 13.297) 21.408 3.515 ( 2.310 -1.057 -4.173) 4.885 3.596 ( -1.717 0.109 -6.354) 6.583 4.099 ( 2.058 3.859 -24.409) 24.798 4.410 ( -9.325 -7.448 -24.445) 27.203 5.744 ( 4.755 1.646 15.880) 16.658 6.072 ( 3.300 -0.236 6.388) 7.194 6.276 ( 6.695 10.144 9.547) 15.455 6.448 ( 1.668 -7.442 9.186) 11.939 6.954 ( -0.882 1.883 -3.011) 3.659 7.288 ( 0.569 4.481 2.424) 5.126 7.370 ( 6.210 -3.720 1.537) 7.400 8.611 ( 4.672 3.393 9.644) 11.240 8.805 ( -16.793 2.960 12.216) 20.976 8.996 ( -9.078 -1.440 -6.606) 11.319 9.670 ( 10.453 8.922 -16.655) 21.593 10.105 ( 5.428 -3.224 -5.796) 8.570 11.080 ( 4.345 -3.466 4.572) 7.197 11.766 ( 7.632 -3.513 10.130) 13.161 12.530 ( -5.325 8.019 2.961) 10.071 13.004 ( -19.065 -6.352 -8.830) 21.950 14.201 ( -2.141 3.735 14.197) 14.835 14.268 ( -1.391 0.135 1.970) 2.415 14.499 ( 2.538 4.116 -3.688) 6.081 15.314 ( -2.961 -1.073 -16.989) 17.278 16.471 ( 25.820 1.564 -8.900) 27.355 17.136 ( -21.084 -4.796 3.758) 21.947 18.363 ( 19.361 0.176 12.925) 23.280 19.268 ( 1.205 1.202 -3.214) 3.637 20.426 ( -11.199 1.826 13.587) 17.702 22.701 ( -14.586 -1.319 -25.218) 29.162 22.967 ( 9.745 -3.116 8.913) 13.569 23.953 ( -2.104 0.191 -3.866) 4.405 ======================= Grid point 324 (176/260) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -7.470 1.499 11.306) 13.634 2.531 ( -2.522 3.498 4.671) 6.358 2.748 ( -1.161 -5.114 -1.152) 5.370 2.890 ( -8.076 -7.491 9.548) 14.578 3.514 ( -0.351 5.095 -5.870) 7.780 3.656 ( 5.456 -3.813 -6.264) 9.140 4.183 ( 6.299 1.648 -24.424) 25.277 4.287 ( -0.443 -7.645 -26.111) 27.210 5.820 ( 1.740 2.515 13.863) 14.196 6.111 ( -1.077 -0.669 9.422) 9.507 6.270 ( -5.011 2.484 7.501) 9.356 6.517 ( 2.545 -0.352 11.927) 12.200 7.029 ( 9.662 2.223 -0.750) 9.943 7.075 ( -10.458 1.587 2.201) 10.804 7.785 ( 21.444 0.182 0.342) 21.447 8.357 ( -20.327 4.648 11.850) 23.984 8.511 ( -16.902 -3.236 -3.330) 17.528 9.016 ( 8.278 1.069 6.576) 10.626 9.894 ( 10.653 7.801 -9.125) 16.050 10.134 ( -2.645 1.385 -12.029) 12.394 11.259 ( 12.618 -5.718 12.226) 18.476 11.972 ( 11.927 -1.156 6.388) 13.579 12.371 ( -11.233 13.226 -1.095) 17.387 12.647 ( -13.553 -13.515 -8.712) 21.030 14.106 ( -6.799 3.557 8.117) 11.170 14.246 ( -1.099 -2.101 5.057) 5.585 14.586 ( 5.673 7.626 -0.677) 9.529 15.236 ( -3.112 -3.241 -15.154) 15.806 16.765 ( -12.206 -2.898 -1.445) 12.628 17.056 ( 29.497 1.322 -8.081) 30.613 18.737 ( 12.374 0.203 10.686) 16.351 19.253 ( -2.722 3.545 -2.526) 5.134 20.246 ( -4.728 -1.868 20.708) 21.323 22.273 ( -21.310 -0.873 -22.381) 30.916 23.272 ( 15.299 -2.213 5.876) 16.537 23.872 ( -5.668 0.252 -6.849) 8.894 ======================= Grid point 325 (177/260) ======================= q-point: (-0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -2.530 2.739 8.029) 8.853 2.501 ( -1.498 1.493 9.277) 9.515 2.712 ( -5.004 -0.215 4.205) 6.540 2.814 ( 4.549 -8.880 8.492) 13.102 3.543 ( 3.681 7.025 -4.187) 8.968 3.759 ( 4.617 -1.959 -10.613) 11.738 4.312 ( 8.673 -5.885 -23.658) 25.876 4.385 ( 8.834 -2.510 -21.924) 23.770 5.825 ( -1.746 3.027 12.461) 12.942 6.010 ( -8.630 -0.413 13.780) 16.265 6.178 ( -2.918 -0.222 4.921) 5.725 6.537 ( -0.963 2.010 5.880) 6.288 6.846 ( -11.751 1.458 2.029) 12.013 7.353 ( 19.768 1.748 3.441) 20.142 7.906 ( -19.328 -0.846 14.716) 24.307 8.118 ( -15.534 1.588 -10.028) 18.558 8.246 ( 14.289 -0.742 2.488) 14.523 9.189 ( 7.108 1.450 9.288) 11.785 10.011 ( -7.379 2.931 -18.305) 19.952 10.082 ( 7.537 5.146 -2.861) 9.564 11.574 ( 15.956 -4.110 17.137) 23.773 12.061 ( -15.236 12.191 -11.799) 22.803 12.251 ( 10.725 -0.187 7.495) 13.086 12.454 ( -4.230 -12.565 -6.905) 14.948 13.950 ( -8.275 3.540 3.415) 9.627 14.222 ( -1.422 -3.505 4.886) 6.179 14.724 ( 7.662 8.041 2.369) 11.357 15.186 ( -1.183 -5.688 -10.863) 12.318 16.665 ( 4.015 -0.969 -7.920) 8.932 17.656 ( 26.322 2.163 -8.283) 27.679 18.768 ( -8.208 2.295 9.589) 12.829 19.157 ( -7.041 -0.057 -3.869) 8.034 20.331 ( 11.644 -3.093 28.134) 30.605 21.843 ( -19.153 -0.618 -18.694) 26.771 23.563 ( 11.238 1.363 2.639) 11.624 23.719 ( -7.355 -1.744 -8.596) 11.447 ======================= Grid point 326 (178/260) ======================= q-point: (-0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.494 4.230 7.585) 8.699 2.435 ( -5.362 0.755 8.987) 10.492 2.685 ( 2.930 5.677 10.822) 12.567 2.990 ( 10.459 -11.688 11.730) 19.586 3.662 ( 7.634 10.865 -3.317) 13.687 3.846 ( 4.849 -1.304 -14.412) 15.262 4.544 ( 13.041 -3.598 -20.339) 24.427 4.568 ( 10.262 -3.869 -16.637) 19.927 5.742 ( -8.733 5.843 15.451) 18.686 5.831 ( -6.474 -3.416 12.522) 14.504 6.177 ( 2.170 -0.272 3.551) 4.171 6.461 ( -7.012 5.350 3.485) 9.483 6.609 ( -9.847 -3.629 -0.547) 10.509 7.511 ( -18.406 -1.635 15.281) 23.979 7.743 ( -7.257 2.789 -8.686) 11.657 7.808 ( 12.211 -1.179 0.502) 12.278 8.562 ( 13.032 0.399 4.468) 13.782 9.300 ( 2.995 2.056 9.184) 9.877 9.854 ( -5.844 3.543 -21.594) 22.650 10.207 ( 4.681 2.362 -0.465) 5.263 11.752 ( -12.782 7.629 -14.109) 20.509 11.881 ( 10.465 -2.577 16.286) 19.530 12.203 ( -8.478 -3.322 1.498) 9.228 12.655 ( 16.803 -2.048 -0.157) 16.928 13.775 ( -8.580 2.040 1.386) 8.927 14.199 ( -0.700 -3.799 3.286) 5.071 14.911 ( 10.382 5.444 -0.142) 11.724 15.173 ( 0.234 -6.942 -7.870) 10.496 16.936 ( 21.753 4.530 -12.208) 25.352 17.904 ( -8.194 -1.172 -0.030) 8.277 18.705 ( 8.939 3.595 4.123) 10.479 18.934 ( -13.485 -5.000 -5.922) 15.553 20.654 ( 15.483 -1.742 29.272) 33.160 21.470 ( -16.298 0.032 -11.806) 20.125 23.502 ( -7.776 2.113 -9.972) 12.821 23.818 ( 8.875 -1.410 0.449) 8.998 ======================= Grid point 327 (179/260) ======================= q-point: (-0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -5.259 2.937 10.451) 12.062 2.412 ( 1.876 2.646 6.896) 7.620 2.801 ( 6.354 7.155 16.054) 18.690 3.217 ( 10.525 -10.492 13.864) 20.324 3.824 ( 7.783 12.203 -6.635) 15.922 3.960 ( 6.334 -1.086 -10.358) 12.190 4.693 ( 4.477 1.501 -14.466) 15.217 4.878 ( 16.715 -2.413 -14.801) 22.456 5.513 ( -12.380 7.621 17.016) 22.380 5.741 ( -4.845 -5.453 11.277) 13.431 6.146 ( -6.534 2.675 9.092) 11.511 6.338 ( -7.192 -1.732 7.326) 10.411 6.508 ( 4.654 -4.565 -11.658) 13.357 7.175 ( -14.365 -0.436 10.329) 17.698 7.499 ( -7.054 -0.800 -11.272) 13.322 8.126 ( 8.467 1.344 -3.091) 9.113 8.802 ( 11.592 0.517 9.105) 14.749 9.316 ( -1.789 1.773 8.285) 8.659 9.780 ( -0.192 5.752 -21.070) 21.842 10.279 ( 2.323 -0.879 -1.078) 2.708 11.526 ( -8.438 7.585 -12.178) 16.644 11.807 ( -15.066 -5.902 -4.967) 16.926 12.232 ( 8.659 -0.159 21.601) 23.272 13.010 ( 16.879 2.146 -0.799) 17.034 13.604 ( -7.808 -1.547 1.646) 8.128 14.199 ( 0.500 -3.933 3.996) 5.629 15.125 ( 7.935 3.013 -8.765) 12.201 15.202 ( 4.551 -5.199 -8.543) 10.987 17.289 ( -10.542 16.806 2.611) 20.010 17.692 ( 13.712 -18.119 -4.889) 23.243 18.598 ( -13.171 -0.410 -7.423) 15.125 19.032 ( 14.071 0.514 -3.676) 14.553 20.896 ( 5.194 -0.335 24.172) 24.726 21.162 ( -12.744 -0.027 -1.579) 12.842 23.420 ( 1.616 1.472 -7.823) 8.122 23.957 ( 4.446 -0.017 -1.692) 4.757 ======================= Grid point 328 (180/260) ======================= q-point: (-0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -2.529 3.760 12.246) 13.057 2.466 ( 3.104 1.208 7.554) 8.256 2.912 ( 2.901 5.181 14.421) 15.596 3.434 ( 9.736 -5.282 15.264) 18.859 3.969 ( 4.930 8.214 -1.144) 9.648 4.068 ( 5.074 0.303 -9.645) 10.902 4.714 ( -2.000 5.661 -11.228) 12.733 5.158 ( 3.898 3.482 -8.089) 9.631 5.286 ( -4.960 13.485 13.811) 19.929 5.625 ( -4.636 -11.478 10.658) 16.335 6.065 ( -2.005 -2.296 4.175) 5.169 6.114 ( -11.929 -6.298 9.412) 16.449 6.729 ( 14.003 -1.743 -8.580) 16.515 6.934 ( -9.305 -0.173 4.031) 10.142 7.518 ( 10.174 -0.206 -12.909) 16.438 8.098 ( -9.276 0.794 -11.031) 14.434 9.072 ( 10.584 5.494 11.590) 16.629 9.249 ( -2.597 -3.938 9.066) 10.220 9.798 ( 1.372 11.164 -18.070) 21.285 10.303 ( 0.098 -5.773 -4.549) 7.351 11.337 ( -12.625 8.654 -4.387) 15.923 11.522 ( -7.165 -7.996 -7.880) 13.318 12.411 ( 7.108 1.666 20.896) 22.134 13.318 ( 10.628 1.793 0.710) 10.801 13.489 ( -0.751 -4.052 0.459) 4.147 14.220 ( 1.231 -3.953 6.683) 7.861 15.202 ( 3.048 -0.932 -8.129) 8.731 15.315 ( 2.210 2.671 -22.468) 22.734 16.759 ( -30.447 -3.183 22.558) 38.027 17.972 ( -1.071 -2.893 -23.482) 23.684 18.679 ( 25.173 0.675 -0.732) 25.193 19.187 ( -0.427 -0.973 -7.096) 7.175 20.904 ( -2.212 2.351 13.882) 14.253 20.974 ( -5.306 -2.344 10.199) 11.733 23.557 ( 10.372 1.366 -3.451) 11.016 24.000 ( -0.119 0.549 -3.873) 3.913 ======================= Grid point 369 (181/260) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -5.285 0.000 20.125) 20.807 2.386 ( -3.377 0.000 20.196) 20.477 2.714 ( 8.522 0.000 -3.650) 9.271 3.112 ( 1.687 0.000 -16.236) 16.324 3.578 ( 0.314 0.000 -8.865) 8.871 3.611 ( 5.040 0.000 -8.137) 9.571 4.577 ( 5.614 0.000 34.306) 34.762 4.742 ( -3.222 0.000 18.242) 18.524 5.139 ( 8.094 0.000 -1.013) 8.157 5.479 ( -1.486 0.000 -6.835) 6.995 6.495 ( -10.084 0.000 4.928) 11.224 6.784 ( -5.282 0.000 8.505) 10.012 6.997 ( 3.737 0.000 -13.695) 14.196 7.128 ( -6.304 0.000 0.055) 6.304 7.214 ( 4.999 0.000 -8.111) 9.528 7.420 ( -2.271 0.000 -18.417) 18.556 8.578 ( 7.122 0.000 0.332) 7.130 8.640 ( -4.200 0.000 -1.450) 4.443 10.045 ( 1.388 0.000 11.078) 11.164 10.440 ( 5.364 0.000 -7.200) 8.978 10.765 ( 7.628 0.000 2.531) 8.037 11.190 ( -8.201 0.000 -15.798) 17.800 12.774 ( -8.757 0.000 11.140) 14.170 13.144 ( 8.454 0.000 -7.365) 11.212 14.154 ( 10.427 0.000 0.956) 10.471 14.292 ( -7.461 0.000 -3.658) 8.310 15.219 ( 5.587 0.000 2.749) 6.227 15.373 ( -8.265 0.000 -2.857) 8.745 17.310 ( 14.132 0.000 -1.283) 14.190 17.323 ( -33.257 0.000 -1.735) 33.303 19.179 ( -6.221 0.000 3.869) 7.326 19.343 ( 3.285 0.000 -4.023) 5.194 21.107 ( -26.943 0.000 11.102) 29.140 21.485 ( 41.823 0.000 -8.621) 42.702 23.328 ( 10.373 0.000 10.255) 14.587 23.731 ( -6.844 0.000 -9.612) 11.800 ======================= Grid point 370 (182/260) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 5.460 0.000 21.387) 22.073 2.298 ( -4.109 0.000 17.082) 17.569 2.955 ( 13.459 0.000 -1.633) 13.557 3.094 ( -2.413 0.000 -19.829) 19.975 3.484 ( -7.174 0.000 -12.323) 14.259 3.615 ( -4.000 0.000 -12.051) 12.698 4.758 ( 3.827 0.000 17.320) 17.738 4.787 ( 9.704 0.000 32.601) 34.014 5.335 ( 11.334 0.000 -7.601) 13.646 5.452 ( -0.842 0.000 -6.745) 6.797 6.354 ( -2.939 0.000 3.903) 4.886 6.615 ( -10.645 0.000 13.037) 16.831 7.016 ( -1.328 0.000 -16.564) 16.617 7.052 ( -1.686 0.000 3.172) 3.592 7.273 ( 0.870 0.000 -3.920) 4.016 7.525 ( 12.790 0.000 -10.703) 16.678 8.526 ( -6.269 0.000 -3.118) 7.001 8.673 ( 1.690 0.000 -0.589) 1.790 9.987 ( -7.495 0.000 8.772) 11.538 10.400 ( -5.994 0.000 -12.383) 13.757 11.082 ( 19.358 0.000 6.652) 20.469 11.130 ( 3.173 0.000 -16.957) 17.251 12.601 ( -7.809 0.000 7.277) 10.674 13.294 ( 5.741 0.000 -4.300) 7.173 14.115 ( -9.182 0.000 -7.359) 11.767 14.276 ( 0.097 0.000 0.230) 0.249 15.197 ( -7.673 0.000 -2.928) 8.213 15.234 ( -4.162 0.000 6.312) 7.561 16.637 ( -29.567 0.000 13.713) 32.592 17.577 ( 11.832 0.000 4.344) 12.605 19.106 ( -2.183 0.000 3.714) 4.308 19.431 ( 4.039 0.000 -2.046) 4.528 20.529 ( -27.246 0.000 6.524) 28.016 22.260 ( 31.801 0.000 -18.355) 36.718 23.537 ( 9.047 0.000 8.019) 12.090 23.553 ( -9.693 0.000 -10.703) 14.440 ======================= Grid point 371 (183/260) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.439 0.000 13.230) 13.238 2.345 ( 12.291 0.000 19.536) 23.081 3.011 ( -4.132 0.000 -23.418) 23.780 3.205 ( 2.257 0.000 1.959) 2.989 3.356 ( 3.971 0.000 -17.083) 17.538 3.490 ( -5.610 0.000 -15.353) 16.346 4.844 ( 1.449 0.000 14.500) 14.572 4.925 ( 2.049 0.000 19.226) 19.335 5.466 ( 3.527 0.000 -2.318) 4.221 5.581 ( 11.619 0.000 -5.502) 12.855 6.390 ( 6.221 0.000 0.885) 6.284 6.393 ( -10.454 0.000 11.351) 15.431 6.966 ( -2.481 0.000 -11.895) 12.151 7.040 ( -0.701 0.000 6.448) 6.486 7.255 ( -1.628 0.000 1.134) 1.984 7.879 ( 20.632 0.000 -3.610) 20.946 8.401 ( -5.001 0.000 -5.016) 7.083 8.635 ( -5.446 0.000 -0.333) 5.456 9.769 ( -13.046 0.000 4.805) 13.903 10.232 ( -9.426 0.000 -12.227) 15.438 11.279 ( 11.154 0.000 -16.742) 20.117 11.489 ( 18.513 0.000 11.476) 21.781 12.476 ( -4.161 0.000 2.397) 4.803 13.353 ( -0.514 0.000 -1.140) 1.250 13.910 ( -9.981 0.000 -13.161) 16.517 14.133 ( -13.313 0.000 -0.392) 13.319 15.071 ( -4.350 0.000 -1.985) 4.781 15.099 ( -7.627 0.000 12.945) 15.025 16.234 ( -9.098 0.000 19.733) 21.729 17.824 ( 12.359 0.000 5.158) 13.392 18.957 ( -16.333 0.000 0.722) 16.349 19.460 ( -1.945 0.000 0.053) 1.946 20.130 ( -7.994 0.000 8.250) 11.487 22.718 ( 11.251 0.000 -24.936) 27.357 23.370 ( -4.864 0.000 -8.694) 9.962 23.696 ( 5.809 0.000 5.376) 7.915 ======================= Grid point 372 (184/260) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 2.966 0.000 6.528) 7.170 2.587 ( 8.268 0.000 12.297) 14.818 2.919 ( -3.504 0.000 -27.420) 27.643 3.009 ( -13.587 0.000 -8.086) 15.811 3.459 ( 5.402 0.000 -11.807) 12.984 3.662 ( 18.065 0.000 -4.944) 18.729 4.775 ( -8.513 0.000 10.824) 13.771 4.889 ( -5.954 0.000 5.255) 7.941 5.614 ( 9.960 0.000 6.155) 11.708 5.782 ( 8.035 0.000 -0.123) 8.036 6.225 ( -5.690 0.000 8.536) 10.259 6.575 ( 9.459 0.000 -1.861) 9.640 6.907 ( -2.724 0.000 -8.349) 8.782 6.956 ( -7.521 0.000 4.849) 8.948 7.285 ( 5.023 0.000 6.478) 8.197 8.305 ( 13.151 0.000 2.962) 13.480 8.350 ( 1.235 0.000 -5.474) 5.612 8.476 ( -3.302 0.000 1.003) 3.451 9.483 ( -14.213 0.000 0.243) 14.215 10.008 ( -11.580 0.000 -10.055) 15.336 11.549 ( 15.343 0.000 -16.842) 22.783 11.819 ( 11.854 0.000 20.580) 23.750 12.439 ( 0.575 0.000 -2.417) 2.484 13.254 ( -8.754 0.000 0.830) 8.793 13.709 ( -8.514 0.000 -15.858) 17.998 13.782 ( -19.083 0.000 -1.649) 19.154 14.987 ( -3.403 0.000 17.283) 17.615 15.042 ( 2.479 0.000 -1.169) 2.741 16.238 ( 6.789 0.000 15.565) 16.981 18.090 ( 11.290 0.000 0.777) 11.316 18.449 ( -27.412 0.000 -1.613) 27.460 19.335 ( -10.176 0.000 1.891) 10.350 20.197 ( 10.867 0.000 14.200) 17.881 22.655 ( -12.801 0.000 -26.021) 29.000 23.429 ( 8.549 0.000 -7.937) 11.665 23.774 ( 1.318 0.000 3.446) 3.690 ======================= Grid point 373 (185/260) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 5.135 0.000 0.313) 5.144 2.672 ( 0.967 0.000 -1.341) 1.654 2.691 ( -16.438 0.000 -6.081) 17.527 2.844 ( -2.305 0.000 -26.792) 26.891 3.715 ( 17.781 0.000 -2.417) 17.945 4.022 ( 15.865 0.000 -1.116) 15.904 4.530 ( -15.152 0.000 11.603) 19.085 4.695 ( -12.242 0.000 -3.261) 12.669 5.845 ( 11.128 0.000 10.394) 15.227 5.934 ( 7.159 0.000 2.715) 7.657 6.171 ( 0.196 0.000 4.818) 4.822 6.568 ( -12.241 0.000 6.080) 13.668 6.855 ( -1.731 0.000 -5.186) 5.467 6.907 ( 3.894 0.000 -5.455) 6.702 7.454 ( 11.486 0.000 5.994) 12.956 8.094 ( -17.247 0.000 4.499) 17.824 8.473 ( 10.849 0.000 -4.143) 11.613 8.807 ( 17.960 0.000 4.866) 18.608 9.198 ( -12.539 0.000 -4.155) 13.210 9.744 ( -13.792 0.000 -6.726) 15.345 11.893 ( 18.634 0.000 -16.244) 24.720 11.957 ( -0.457 0.000 22.332) 22.337 12.502 ( 5.663 0.000 1.536) 5.868 13.040 ( -10.774 0.000 2.382) 11.034 13.403 ( -16.052 0.000 -2.916) 16.315 13.539 ( -7.487 0.000 -15.164) 16.911 14.962 ( -0.421 0.000 16.657) 16.662 15.180 ( 10.204 0.000 -4.939) 11.337 16.471 ( 14.699 0.000 11.117) 18.429 17.755 ( -29.040 0.000 -7.296) 29.942 18.468 ( 16.202 0.000 1.400) 16.262 19.060 ( -15.797 0.000 3.115) 16.101 20.500 ( 16.532 0.000 19.300) 25.413 22.302 ( -18.836 0.000 -26.258) 32.316 23.611 ( 8.450 0.000 -6.825) 10.862 23.750 ( -3.713 0.000 2.597) 4.531 ======================= Grid point 374 (186/260) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -16.021 0.000 0.548) 16.030 2.508 ( 6.699 0.000 -3.699) 7.653 2.673 ( 0.057 0.000 -11.096) 11.096 2.815 ( 0.813 0.000 -20.447) 20.463 4.107 ( 18.189 0.000 3.689) 18.559 4.179 ( -18.464 0.000 12.461) 22.276 4.191 ( -6.770 0.000 -0.051) 6.770 4.497 ( 0.678 0.000 -4.735) 4.783 5.997 ( 1.184 0.000 6.776) 6.879 6.092 ( 7.634 0.000 3.271) 8.305 6.241 ( -17.468 0.000 8.695) 19.513 6.287 ( 12.023 0.000 5.268) 13.127 6.834 ( -0.435 0.000 -2.243) 2.285 6.951 ( 0.319 0.000 -8.920) 8.926 7.746 ( -15.191 0.000 5.158) 16.043 7.764 ( 17.238 0.000 3.880) 17.669 8.767 ( 16.513 0.000 -3.488) 16.877 8.859 ( -11.994 0.000 -8.562) 14.736 9.202 ( 11.855 0.000 6.869) 13.701 9.426 ( -16.720 0.000 -3.457) 17.074 11.811 ( -13.567 0.000 12.934) 18.744 12.279 ( 17.681 0.000 -13.878) 22.477 12.658 ( 8.304 0.000 12.950) 15.384 12.836 ( -8.872 0.000 1.907) 9.075 13.171 ( -5.613 0.000 -2.083) 5.987 13.406 ( -3.372 0.000 -13.026) 13.455 14.958 ( -1.094 0.000 12.581) 12.628 15.401 ( 10.014 0.000 -9.195) 13.595 16.860 ( 22.862 0.000 8.786) 24.492 17.219 ( -21.434 0.000 -7.600) 22.741 18.722 ( -16.214 0.000 3.562) 16.601 18.824 ( 17.572 0.000 -1.304) 17.620 20.871 ( 18.035 0.000 23.682) 29.767 21.879 ( -20.634 0.000 -27.670) 34.517 23.626 ( -8.250 0.000 2.688) 8.677 23.759 ( 6.074 0.000 -4.730) 7.698 ======================= Grid point 375 (187/260) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -11.266 0.000 11.121) 15.830 2.672 ( 9.242 0.000 -5.562) 10.787 2.682 ( 1.638 0.000 -15.308) 15.395 2.859 ( 3.877 0.000 -13.288) 13.842 3.767 ( -20.776 0.000 14.732) 25.469 3.848 ( -20.549 0.000 -5.260) 21.211 4.461 ( 14.643 0.000 5.823) 15.759 4.628 ( 6.967 0.000 2.518) 7.408 5.830 ( -20.722 0.000 13.289) 24.617 5.949 ( -4.799 0.000 2.610) 5.462 6.301 ( 10.597 0.000 0.082) 10.598 6.576 ( 12.332 0.000 5.813) 13.633 6.821 ( -0.033 0.000 -2.425) 2.426 6.943 ( -0.082 0.000 -10.964) 10.965 7.534 ( -4.276 0.000 4.015) 5.866 8.124 ( 16.578 0.000 2.719) 16.800 8.590 ( -12.608 0.000 -11.972) 17.387 8.919 ( -16.013 0.000 -0.802) 16.033 9.235 ( 11.778 0.000 -4.185) 12.499 9.424 ( 9.156 0.000 9.037) 12.865 11.475 ( -17.612 0.000 6.622) 18.816 12.440 ( -5.937 0.000 -0.309) 5.945 12.735 ( 1.258 0.000 -15.471) 15.522 12.832 ( 7.454 0.000 18.499) 19.944 13.161 ( 4.025 0.000 0.096) 4.026 13.479 ( 12.578 0.000 -7.234) 14.509 14.927 ( -2.118 0.000 7.833) 8.114 15.547 ( 4.368 0.000 -11.321) 12.134 16.879 ( -11.113 0.000 -8.013) 13.700 17.426 ( 31.186 0.000 8.236) 32.255 18.423 ( -12.296 0.000 2.959) 12.647 19.166 ( 14.814 0.000 -2.243) 14.983 21.250 ( 17.168 0.000 27.097) 32.078 21.430 ( -21.447 0.000 -28.573) 35.727 23.424 ( -11.029 0.000 3.320) 11.518 23.856 ( 3.469 0.000 -3.383) 4.846 ======================= Grid point 376 (188/260) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.713 0.000 22.103) 22.114 2.724 ( 2.327 0.000 -16.261) 16.426 2.883 ( 11.330 0.000 -6.064) 12.851 2.935 ( 2.285 0.000 -3.654) 4.309 3.376 ( -15.134 0.000 11.174) 18.812 3.418 ( -19.925 0.000 -6.096) 20.837 4.708 ( 8.839 0.000 9.796) 13.194 4.750 ( 4.888 0.000 6.491) 8.126 5.395 ( -21.665 0.000 16.623) 27.308 5.821 ( -7.334 0.000 1.026) 7.405 6.529 ( 10.925 0.000 -0.699) 10.947 6.678 ( 0.005 0.000 -5.598) 5.598 6.908 ( 6.004 0.000 4.496) 7.501 6.945 ( 0.745 0.000 -12.738) 12.760 7.570 ( 6.080 0.000 -1.336) 6.226 8.351 ( -9.226 0.000 -11.239) 14.541 8.396 ( -11.049 0.000 -0.217) 11.052 8.451 ( -4.489 0.000 2.041) 4.931 9.575 ( 17.051 0.000 -3.708) 17.450 9.605 ( 8.315 0.000 10.474) 13.373 11.142 ( -14.128 0.000 4.098) 14.710 12.174 ( -16.511 0.000 -2.025) 16.635 12.770 ( 2.215 0.000 -16.308) 16.458 12.966 ( 4.249 0.000 19.759) 20.210 13.315 ( 10.512 0.000 1.419) 10.608 13.861 ( 21.651 0.000 -5.904) 22.441 14.890 ( -1.480 0.000 5.724) 5.912 15.585 ( 0.421 0.000 -10.948) 10.956 16.745 ( -1.653 0.000 -9.203) 9.350 18.089 ( 21.968 0.000 0.235) 21.969 18.266 ( 6.750 0.000 8.335) 10.725 19.401 ( 7.389 0.000 -1.619) 7.565 20.972 ( -21.357 0.000 -26.864) 34.319 21.580 ( 12.644 0.000 28.606) 31.276 23.198 ( -10.134 0.000 4.236) 10.984 23.900 ( 1.023 0.000 -3.433) 3.582 ======================= Grid point 377 (189/260) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 9.552 0.000 26.791) 28.443 2.634 ( -13.272 0.000 2.578) 13.520 2.946 ( 3.088 0.000 -3.204) 4.450 2.999 ( -12.333 0.000 -9.420) 15.519 3.178 ( 9.690 0.000 -1.355) 9.785 3.292 ( 5.254 0.000 -4.006) 6.608 4.831 ( 2.423 0.000 14.532) 14.733 4.839 ( 1.462 0.000 13.542) 13.621 4.983 ( -16.069 0.000 14.905) 21.918 5.662 ( -7.484 0.000 -1.561) 7.645 6.699 ( 3.141 0.000 -14.279) 14.621 6.713 ( 5.228 0.000 2.653) 5.863 6.972 ( 3.281 0.000 -15.832) 16.168 6.979 ( 0.739 0.000 9.133) 9.163 7.660 ( -0.110 0.000 -14.252) 14.253 7.836 ( -27.147 0.000 0.485) 27.151 8.259 ( 2.136 0.000 -3.051) 3.724 8.621 ( 6.146 0.000 0.741) 6.191 9.783 ( 8.349 0.000 11.254) 14.013 9.904 ( 15.004 0.000 -1.732) 15.103 10.905 ( -8.965 0.000 1.621) 9.110 11.809 ( -17.969 0.000 -7.627) 19.520 12.836 ( 5.179 0.000 -12.637) 13.657 13.007 ( -1.360 0.000 17.982) 18.033 13.581 ( 14.539 0.000 2.118) 14.693 14.262 ( 14.975 0.000 -6.861) 16.472 14.891 ( 2.443 0.000 6.339) 6.793 15.570 ( -1.372 0.000 -8.290) 8.403 16.799 ( 7.159 0.000 -9.892) 12.211 18.067 ( -5.614 0.000 -7.931) 9.717 18.901 ( 32.083 0.000 7.270) 32.897 19.455 ( -2.101 0.000 0.252) 2.116 20.577 ( -12.480 0.000 -18.070) 21.960 21.740 ( -0.055 0.000 25.817) 25.817 23.059 ( -2.262 0.000 6.523) 6.904 23.896 ( -1.235 0.000 -4.900) 5.053 ======================= Grid point 378 (190/260) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 11.258 0.000 25.036) 27.451 2.326 ( -14.030 0.000 15.510) 20.914 2.737 ( -9.466 0.000 -6.728) 11.613 3.043 ( 5.113 0.000 -11.848) 12.904 3.440 ( 12.038 0.000 -3.695) 12.592 3.454 ( 9.082 0.000 -6.307) 11.058 4.625 ( -11.168 0.000 28.015) 30.159 4.822 ( -3.632 0.000 18.054) 18.416 4.991 ( 6.162 0.000 4.184) 7.448 5.536 ( -4.221 0.000 -5.163) 6.668 6.693 ( -6.947 0.000 4.111) 8.073 6.783 ( 4.541 0.000 -14.240) 14.946 6.969 ( -1.253 0.000 7.763) 7.863 7.085 ( 7.231 0.000 -13.595) 15.398 7.361 ( -17.342 0.000 0.708) 17.356 7.553 ( -7.395 0.000 -20.897) 22.166 8.400 ( 9.237 0.000 1.152) 9.309 8.685 ( 0.206 0.000 -0.321) 0.381 9.948 ( 6.685 0.000 11.396) 13.212 10.204 ( 14.161 0.000 -0.509) 14.170 10.767 ( -4.505 0.000 -1.301) 4.689 11.451 ( -15.521 0.000 -12.233) 19.762 12.930 ( -6.430 0.000 14.681) 16.027 12.972 ( 8.126 0.000 -9.966) 12.859 13.888 ( 14.476 0.000 1.837) 14.592 14.397 ( -1.088 0.000 -4.390) 4.523 15.036 ( 10.214 0.000 3.929) 10.943 15.510 ( -4.553 0.000 -4.852) 6.654 17.016 ( 13.512 0.000 -7.357) 15.385 17.861 ( -16.603 0.000 -10.824) 19.820 19.300 ( 4.986 0.000 -4.464) 6.692 19.339 ( -8.065 0.000 2.521) 8.450 20.699 ( 27.824 0.000 -3.068) 27.992 21.568 ( -16.958 0.000 18.241) 24.905 23.127 ( 7.596 0.000 10.022) 12.575 23.843 ( -3.712 0.000 -7.271) 8.164 ======================= Grid point 379 (191/260) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -2.209 4.411 20.431) 21.018 2.521 ( -3.300 11.517 19.044) 22.499 2.750 ( 5.575 3.482 -5.424) 8.523 3.134 ( 1.048 2.850 -11.068) 11.478 3.563 ( -1.155 2.051 -7.275) 7.647 3.720 ( 7.666 8.088 -11.034) 15.683 4.636 ( 1.044 5.328 30.951) 31.424 4.708 ( -0.520 -2.644 19.409) 19.595 5.138 ( 7.528 -0.316 -2.301) 7.878 5.523 ( -1.526 4.343 -7.061) 8.429 6.470 ( -8.854 -2.899 4.051) 10.160 6.722 ( -6.296 -6.103 6.396) 10.853 6.954 ( 3.275 -3.832 -6.742) 8.418 7.117 ( -2.553 -1.042 1.441) 3.111 7.272 ( 4.989 4.997 -12.433) 14.299 7.452 ( -2.841 3.027 -17.609) 18.092 8.627 ( 5.545 5.511 -0.208) 7.821 8.681 ( -4.020 4.323 -1.179) 6.019 10.016 ( 1.841 -2.928 11.453) 11.964 10.431 ( 3.206 -1.321 -9.018) 9.661 10.804 ( 6.094 4.142 3.894) 8.334 11.239 ( -6.380 4.471 -16.099) 17.885 12.758 ( -6.379 -1.062 13.357) 14.840 13.190 ( 7.825 4.307 -7.962) 11.966 14.127 ( 10.379 -3.033 2.775) 11.163 14.336 ( -8.877 4.445 -4.772) 11.015 15.112 ( 5.271 -10.646 2.444) 12.128 15.302 ( -7.267 -6.614 -4.365) 10.751 17.213 ( -15.126 -6.777 5.052) 17.328 17.407 ( -4.920 5.054 -5.753) 9.102 19.152 ( -1.414 -2.562 2.826) 4.068 19.301 ( 0.490 -4.340 -4.286) 6.119 21.091 ( -24.423 -1.455 10.494) 26.622 21.413 ( 37.761 -6.383 -5.768) 38.729 23.416 ( 10.100 8.069 7.156) 14.776 23.748 ( -6.360 1.564 -8.600) 10.810 ======================= Grid point 380 (192/260) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 6.203 6.967 20.092) 22.152 2.412 ( -5.714 11.248 15.694) 20.136 2.916 ( 7.234 -2.626 -3.880) 8.619 3.135 ( 1.460 2.816 -11.724) 12.146 3.468 ( -6.566 1.087 -12.453) 14.120 3.740 ( -5.194 10.048 -14.379) 18.295 4.680 ( 5.208 -4.841 20.928) 22.103 4.857 ( 7.622 4.388 28.041) 29.388 5.298 ( 7.432 -3.050 -8.067) 11.385 5.517 ( 2.329 5.608 -6.413) 8.832 6.338 ( -3.280 -2.083 2.539) 4.641 6.539 ( -10.463 -6.583 11.767) 17.067 6.972 ( -0.166 -4.133 -6.621) 7.807 7.087 ( -2.795 2.677 -4.697) 6.086 7.309 ( 2.519 3.335 -3.565) 5.493 7.597 ( 13.998 7.043 -11.352) 19.350 8.543 ( -7.123 2.357 -2.039) 7.774 8.732 ( 2.408 5.749 -0.836) 6.289 9.975 ( -6.388 -1.256 9.407) 11.440 10.370 ( -6.404 -3.212 -12.861) 14.722 10.988 ( 8.238 -3.658 0.230) 9.016 11.283 ( 11.950 9.420 -9.873) 18.139 12.624 ( -6.435 2.454 9.390) 11.645 13.318 ( 4.121 2.350 -6.663) 8.180 14.122 ( -10.271 0.234 -8.239) 13.169 14.266 ( 1.071 -0.989 3.223) 3.537 15.084 ( -5.761 -7.610 0.596) 9.564 15.229 ( -1.482 -3.611 0.781) 3.981 16.589 ( -28.911 -4.775 15.770) 33.277 17.606 ( 10.851 2.845 4.003) 11.910 19.114 ( -1.672 0.760 2.357) 2.988 19.316 ( -1.281 -11.254 -2.898) 11.692 20.590 ( -22.017 5.861 6.390) 23.663 22.145 ( 31.186 -10.768 -14.508) 36.042 23.525 ( -6.043 1.098 -4.631) 7.693 23.659 ( 4.204 7.430 -0.378) 8.545 ======================= Grid point 381 (193/260) ======================= q-point: ( 0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -2.417 8.063 13.758) 16.129 2.417 ( 11.757 6.597 17.213) 21.864 2.944 ( -2.574 -4.874 -12.685) 13.831 3.278 ( 4.947 4.983 -5.711) 9.051 3.304 ( -2.591 -2.157 -16.123) 16.472 3.578 ( -6.726 6.311 -15.149) 17.736 4.800 ( 2.453 -3.582 14.574) 15.207 4.945 ( -0.486 0.590 15.564) 15.583 5.416 ( 6.428 -2.569 0.088) 6.923 5.650 ( 8.974 5.023 -5.080) 11.471 6.275 ( -7.165 -8.538 8.194) 13.834 6.413 ( 2.964 0.325 1.712) 3.439 6.960 ( -0.861 -0.736 -9.178) 9.248 7.028 ( -2.299 -1.434 3.680) 4.570 7.358 ( 1.549 9.479 2.401) 9.900 7.946 ( 19.413 6.466 -4.793) 21.016 8.401 ( -5.739 1.154 -2.759) 6.471 8.714 ( -4.307 7.086 -1.219) 8.381 9.782 ( -11.900 1.274 5.467) 13.157 10.202 ( -8.849 -3.107 -12.810) 15.876 11.168 ( 10.386 -7.743 -6.276) 14.395 11.608 ( 16.834 8.445 1.988) 18.938 12.518 ( -3.910 4.116 4.439) 7.206 13.325 ( -3.747 -2.349 -5.047) 6.710 13.905 ( -9.683 -0.423 -12.973) 16.194 14.187 ( -8.260 4.393 3.167) 9.877 14.953 ( -7.289 -5.141 5.240) 10.345 15.174 ( -2.991 1.380 3.246) 4.624 16.199 ( -8.466 -3.495 19.595) 21.630 17.831 ( 11.382 0.760 6.220) 12.993 18.930 ( -20.130 -3.980 -0.101) 20.520 19.291 ( 1.093 -13.134 -0.198) 13.181 20.284 ( -6.863 12.936 7.460) 16.435 22.628 ( 14.547 -9.009 -21.806) 27.718 23.336 ( -7.637 -1.948 -6.553) 10.250 23.774 ( 4.500 6.177 1.624) 7.813 ======================= Grid point 382 (194/260) ======================= q-point: ( 0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 1.094 4.272 8.387) 9.476 2.646 ( 7.722 5.191 10.031) 13.682 2.862 ( -5.100 -3.636 -13.815) 15.169 3.076 ( -10.266 5.076 -19.637) 22.732 3.431 ( 4.464 -2.056 -9.831) 10.991 3.657 ( 14.524 -1.305 -5.326) 15.524 4.730 ( -9.426 -4.963 11.592) 15.743 4.857 ( -7.981 -4.072 1.312) 9.055 5.623 ( 12.585 2.302 8.336) 15.270 5.811 ( 6.358 2.247 0.768) 6.787 6.144 ( -4.004 -6.302 6.809) 10.105 6.570 ( 9.180 -0.518 -2.916) 9.646 6.895 ( -6.049 -0.146 -5.011) 7.856 7.003 ( 0.066 2.918 4.548) 5.403 7.385 ( 1.582 8.926 4.377) 10.066 8.322 ( -2.101 2.015 2.553) 3.872 8.358 ( 17.496 3.264 -3.072) 18.061 8.584 ( -4.462 8.451 -1.006) 9.609 9.513 ( -13.894 2.807 1.202) 14.225 10.001 ( -10.062 -0.723 -10.832) 14.802 11.418 ( 13.977 -10.399 -6.891) 18.735 11.919 ( 12.180 7.138 10.865) 17.815 12.460 ( -2.413 1.501 0.715) 2.930 13.174 ( -9.256 -4.669 -4.388) 11.258 13.718 ( -8.087 1.255 -15.414) 17.451 13.956 ( -13.438 14.224 2.076) 19.678 14.832 ( -3.196 -8.534 11.406) 14.599 15.148 ( 0.851 3.937 2.059) 4.523 16.216 ( 7.436 -2.259 14.720) 16.646 18.076 ( 8.628 -1.600 2.082) 9.019 18.395 ( -24.880 -5.421 -0.347) 25.466 19.274 ( -4.756 -5.092 1.417) 7.110 20.292 ( 6.310 8.884 12.795) 16.807 22.635 ( -11.217 -2.279 -26.527) 28.891 23.339 ( 7.516 -7.567 -3.052) 11.093 23.828 ( 0.594 4.190 0.203) 4.237 ======================= Grid point 383 (195/260) ======================= q-point: ( 0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 3.226 0.724 2.720) 4.281 2.652 ( -12.207 -0.235 -5.457) 13.373 2.737 ( -0.061 2.152 -3.455) 4.070 2.914 ( -4.092 7.152 -25.058) 26.378 3.652 ( 15.997 -6.040 -1.475) 17.162 3.980 ( 15.253 -4.572 -1.461) 15.991 4.457 ( -16.755 -7.972 12.943) 22.624 4.640 ( -12.035 -5.584 -6.675) 14.852 5.889 ( 11.146 4.724 10.054) 15.736 5.925 ( 4.896 -1.151 4.583) 6.805 6.138 ( 3.608 -1.451 3.399) 5.164 6.628 ( -9.001 5.030 5.807) 11.834 6.785 ( 1.106 -3.292 -5.362) 6.388 7.015 ( -0.655 6.899 -2.971) 7.540 7.482 ( 9.331 2.044 4.944) 10.756 8.138 ( -14.659 5.311 3.603) 16.002 8.562 ( 10.431 8.382 -5.223) 14.365 8.813 ( 16.600 0.837 5.425) 17.483 9.221 ( -13.710 2.116 -1.842) 13.994 9.773 ( -11.659 3.105 -8.495) 14.756 11.731 ( 15.610 -11.053 -1.742) 19.206 12.082 ( 1.926 7.476 8.129) 11.211 12.416 ( -0.620 -8.459 4.584) 9.641 12.995 ( -7.287 -1.201 -4.674) 8.740 13.549 ( -7.286 8.644 -11.794) 16.337 13.682 ( -11.807 16.593 -0.616) 20.374 14.839 ( 2.131 -9.886 13.492) 16.862 15.213 ( 5.317 0.885 -4.529) 7.040 16.466 ( 15.776 -0.545 10.274) 18.834 17.693 ( -28.280 -6.235 -5.294) 29.440 18.477 ( 16.460 1.058 2.702) 16.714 19.082 ( -13.135 2.121 2.075) 13.466 20.518 ( 13.900 1.917 18.639) 23.330 22.291 ( -18.941 -1.158 -26.812) 32.848 23.519 ( 8.282 -7.441 -1.593) 11.247 23.799 ( -3.128 3.169 -1.464) 4.687 ======================= Grid point 384 (196/260) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -14.110 1.805 1.107) 14.268 2.457 ( 4.456 -1.891 -1.455) 5.055 2.748 ( 1.339 3.255 -11.332) 11.866 2.866 ( 0.350 6.679 -20.526) 21.589 3.979 ( 9.079 -11.126 4.940) 15.186 4.073 ( -17.826 -10.047 15.835) 25.873 4.200 ( 2.042 -1.567 -4.358) 5.061 4.462 ( 1.488 -4.049 -7.005) 8.227 5.996 ( -0.108 -1.214 5.226) 5.366 6.045 ( 5.734 -1.893 2.965) 6.727 6.269 ( -2.981 4.644 11.524) 12.777 6.408 ( 0.510 8.649 3.455) 9.327 6.847 ( 3.255 1.188 -1.853) 3.930 6.939 ( -4.928 -0.499 -5.372) 7.307 7.758 ( 9.663 1.713 4.666) 10.867 7.846 ( -6.176 7.263 0.855) 9.572 8.780 ( -0.821 0.279 -1.672) 1.883 8.931 ( 2.785 7.768 -8.834) 12.089 9.166 ( 9.221 -1.956 9.855) 13.637 9.515 ( -12.128 7.716 -7.148) 16.054 11.815 ( -12.242 0.545 11.067) 16.512 12.211 ( 16.793 -8.928 -11.275) 22.110 12.463 ( 2.944 -9.272 12.869) 16.133 12.855 ( -6.597 -2.530 -5.333) 8.852 13.403 ( -7.289 20.090 0.435) 21.375 13.549 ( 1.307 13.592 -7.456) 15.558 14.876 ( 0.162 -7.830 12.405) 14.670 15.347 ( 7.217 -5.550 -10.736) 14.077 16.874 ( 22.800 1.136 7.606) 24.062 17.176 ( -19.996 -4.322 -6.027) 21.327 18.767 ( -12.518 4.151 3.246) 13.582 18.842 ( 14.168 2.327 -0.892) 14.386 20.851 ( 16.822 -1.986 23.715) 29.143 21.865 ( -20.613 -1.332 -27.734) 34.581 23.601 ( -3.593 -2.527 3.200) 5.435 23.756 ( 2.292 -0.289 -4.990) 5.499 ======================= Grid point 385 (197/260) ======================= q-point: (-0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -9.153 6.303 11.221) 15.793 2.563 ( 5.824 -4.068 -4.753) 8.547 2.792 ( 3.497 2.944 -14.144) 14.865 2.906 ( 4.153 6.483 -13.503) 15.544 3.641 ( -20.458 -10.814 13.034) 26.558 3.845 ( -16.213 -2.218 -0.891) 16.388 4.402 ( 13.249 -5.697 2.004) 14.560 4.625 ( 9.205 -1.270 1.079) 9.355 5.862 ( -15.139 3.470 9.187) 18.045 6.033 ( -8.424 7.571 5.452) 12.570 6.195 ( 8.208 -7.895 0.553) 11.402 6.624 ( 10.219 1.739 5.365) 11.672 6.752 ( -8.059 -3.393 -3.383) 9.376 7.019 ( 9.279 6.136 -5.235) 12.295 7.610 ( -5.746 6.754 0.356) 8.875 8.148 ( 16.851 2.279 2.612) 17.204 8.511 ( -16.155 -6.080 -3.385) 17.590 9.019 ( -11.799 8.018 -5.866) 15.424 9.311 ( 13.484 7.871 -2.428) 15.801 9.453 ( 6.353 2.986 4.867) 8.542 11.483 ( -17.281 1.055 4.661) 17.930 12.458 ( -4.860 1.060 4.816) 6.923 12.573 ( 14.522 -12.000 -2.226) 18.970 12.725 ( -3.893 -9.197 -0.795) 10.018 13.308 ( -0.669 12.760 -1.342) 12.848 13.711 ( 13.537 19.875 -2.047) 24.134 14.860 ( -1.622 -6.599 8.007) 10.502 15.471 ( 4.784 -7.448 -11.644) 14.627 16.831 ( -11.001 -4.758 -6.889) 13.824 17.453 ( 30.433 2.316 6.224) 31.149 18.475 ( -12.701 5.277 2.287) 13.942 19.158 ( 13.130 -0.725 -1.833) 13.277 21.205 ( 14.159 -4.436 24.794) 28.895 21.434 ( -18.142 0.259 -24.924) 30.829 23.434 ( -10.378 1.019 2.299) 10.679 23.837 ( 3.831 -1.913 -3.021) 5.240 ======================= Grid point 386 (198/260) ======================= q-point: (-0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.121 9.369 21.104) 23.091 2.683 ( 5.406 -2.655 -9.164) 10.966 2.842 ( -0.870 -2.821 -3.701) 4.734 3.022 ( 7.814 7.475 -9.140) 14.159 3.297 ( -10.167 -5.719 7.916) 14.097 3.497 ( -16.254 4.946 -3.979) 17.450 4.633 ( 8.589 -5.746 6.593) 12.258 4.790 ( 6.457 1.350 5.708) 8.724 5.472 ( -21.009 7.772 15.108) 27.019 5.884 ( -7.615 6.125 0.810) 9.806 6.395 ( 10.623 -11.289 -0.950) 15.531 6.618 ( -3.481 -7.925 -7.982) 11.774 6.775 ( 4.552 -2.121 4.113) 6.492 7.170 ( 3.089 11.839 -7.699) 14.456 7.612 ( 5.806 3.794 -1.723) 7.147 8.143 ( -18.799 -10.570 1.188) 21.600 8.466 ( 12.213 4.530 1.743) 13.142 8.673 ( -16.359 14.562 -9.221) 23.763 9.600 ( 7.365 -0.133 7.353) 10.408 9.645 ( 16.075 6.681 -2.783) 17.629 11.162 ( -13.401 2.153 2.524) 13.805 12.215 ( -16.378 3.671 -2.692) 16.999 12.693 ( 2.664 -7.310 -5.626) 9.602 12.845 ( 8.487 -9.506 11.718) 17.312 13.379 ( 7.260 5.964 -0.906) 9.439 14.057 ( 18.480 17.008 -3.666) 25.381 14.833 ( -1.163 -5.392 6.001) 8.151 15.528 ( 1.372 -5.834 -10.515) 12.103 16.698 ( -1.380 -4.400 -8.936) 10.056 18.115 ( 28.946 1.378 1.992) 29.047 18.280 ( -2.513 2.365 4.281) 5.499 19.342 ( 4.048 -5.856 -2.004) 7.395 20.981 ( -18.855 1.056 -23.304) 29.995 21.554 ( 12.151 -2.670 27.955) 30.598 23.221 ( -9.287 2.158 2.394) 9.831 23.892 ( 1.579 -0.779 -2.869) 3.367 ======================= Grid point 387 (199/260) ======================= q-point: (-0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 7.816 8.459 24.926) 27.459 2.607 ( -12.334 -0.763 8.444) 14.967 2.846 ( 3.614 -4.335 -6.821) 8.853 3.167 ( -9.533 7.659 -3.226) 12.647 3.230 ( 11.573 4.744 -5.780) 13.779 3.325 ( 5.607 6.141 -5.331) 9.877 4.762 ( 2.891 -4.337 12.518) 13.560 4.895 ( 3.833 1.625 8.028) 9.043 5.055 ( -18.739 8.378 17.545) 27.003 5.718 ( -7.855 5.436 -1.838) 9.728 6.589 ( 5.279 -9.043 -1.059) 10.524 6.628 ( 6.139 -9.501 -12.502) 16.860 6.840 ( 2.136 -3.931 3.157) 5.475 7.157 ( -2.209 7.409 -7.685) 10.901 7.703 ( -10.429 0.348 -9.216) 13.922 7.735 ( -10.259 -3.443 2.920) 11.208 8.428 ( -3.614 14.690 -7.092) 16.708 8.676 ( 6.322 5.124 1.195) 8.225 9.756 ( 7.525 -2.657 10.091) 12.865 9.959 ( 14.342 5.173 -3.052) 15.548 10.939 ( -8.449 3.467 1.000) 9.187 11.845 ( -18.293 3.212 -8.245) 20.320 12.775 ( 4.995 -5.782 0.081) 7.641 12.965 ( 3.130 -3.139 8.967) 10.002 13.588 ( 12.404 0.766 0.808) 12.454 14.396 ( 12.445 12.087 -7.583) 18.933 14.826 ( 1.086 -6.092 6.801) 9.195 15.523 ( -1.489 -5.020 -7.915) 9.490 16.767 ( 8.254 -2.688 -9.918) 13.181 18.126 ( -5.681 5.723 -8.563) 11.762 18.835 ( 30.396 -7.711 7.310) 32.199 19.315 ( -5.779 -12.024 -1.424) 13.416 20.650 ( -9.683 6.795 -13.979) 18.312 21.703 ( -0.604 -3.721 25.182) 25.462 23.107 ( -0.612 4.494 4.392) 6.314 23.899 ( -0.819 0.308 -4.148) 4.239 ======================= Grid point 388 (200/260) ======================= q-point: (-0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -2.562 0.684 20.337) 20.509 2.452 ( 2.411 8.880 19.843) 21.873 2.804 ( -6.726 4.012 -8.469) 11.535 3.091 ( 2.411 6.146 -7.172) 9.748 3.486 ( 9.306 4.139 -5.739) 11.690 3.497 ( 11.583 5.642 -5.599) 14.048 4.684 ( -8.730 4.074 24.389) 26.223 4.810 ( -6.398 0.642 17.775) 18.902 4.996 ( 5.949 0.464 3.567) 6.952 5.584 ( -4.498 4.689 -5.612) 8.586 6.623 ( -3.489 -6.653 1.721) 7.707 6.736 ( 4.106 -5.308 -13.572) 15.141 6.892 ( 2.198 -4.837 8.066) 9.659 7.143 ( 2.775 2.312 -10.936) 11.517 7.319 ( -14.981 -2.687 1.819) 15.328 7.614 ( -8.472 5.149 -18.127) 20.661 8.484 ( 6.694 9.079 -1.206) 11.344 8.737 ( -0.267 5.095 -0.092) 5.102 9.914 ( 6.788 -3.497 11.259) 13.604 10.239 ( 12.849 2.990 -3.072) 13.546 10.806 ( -4.335 4.233 -0.276) 6.065 11.484 ( -15.391 2.951 -12.594) 20.105 12.840 ( -0.940 -5.516 12.559) 13.749 13.039 ( 5.822 3.782 -4.773) 8.425 13.867 ( 13.794 -2.260 2.175) 14.146 14.479 ( -3.455 8.004 -5.302) 10.203 14.942 ( 9.108 -9.134 3.230) 13.297 15.449 ( -5.577 -6.295 -5.348) 9.967 17.007 ( 14.302 -0.702 -6.857) 15.876 17.894 ( -19.214 2.643 -11.087) 22.340 19.172 ( -2.514 -15.147 3.087) 15.662 19.279 ( 6.692 -2.620 -3.410) 7.955 20.738 ( 21.517 3.926 -1.638) 21.933 21.528 ( -16.488 -4.020 17.314) 24.245 23.206 ( 8.739 7.267 7.422) 13.575 23.853 ( -3.457 1.002 -6.313) 7.267 ======================= Grid point 389 (201/260) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.518 8.486 19.060) 20.871 2.716 ( 0.364 6.415 15.381) 16.669 2.824 ( 2.387 4.301 -3.879) 6.265 3.262 ( -2.315 11.030 -4.767) 12.237 3.670 ( -4.697 8.678 -6.574) 11.857 3.907 ( 12.200 11.498 -11.693) 20.440 4.599 ( -5.746 -5.865 17.809) 19.611 4.826 ( 2.153 11.735 28.064) 30.495 5.119 ( 5.513 -1.694 -6.328) 8.562 5.628 ( -0.922 6.112 -7.370) 9.619 6.377 ( -6.063 -6.782 2.946) 9.562 6.553 ( -6.909 -11.745 4.090) 14.227 6.878 ( -0.171 -3.359 3.006) 4.511 7.100 ( 5.770 -0.838 0.647) 5.866 7.364 ( 3.342 4.164 -14.928) 15.854 7.518 ( -1.095 3.305 -16.250) 16.619 8.783 ( -4.298 9.037 -0.391) 10.015 8.828 ( 1.973 12.718 -2.232) 13.063 9.937 ( 3.216 -5.245 12.194) 13.658 10.378 ( -0.273 -4.389 -10.886) 11.741 10.914 ( 1.729 6.808 5.092) 8.676 11.327 ( -2.634 3.965 -14.903) 15.645 12.758 ( -2.404 1.544 16.945) 17.184 13.289 ( 7.278 5.620 -8.964) 12.842 14.021 ( 9.047 -8.359 7.611) 14.479 14.455 ( -11.850 7.666 -8.532) 16.492 14.848 ( 5.003 -15.752 2.239) 16.678 15.168 ( -3.930 -6.110 -8.184) 10.944 17.049 ( -21.460 -10.171 14.180) 27.660 17.505 ( 1.158 4.872 -9.839) 11.040 19.097 ( 7.831 -2.920 -0.256) 8.362 19.183 ( -6.108 -7.521 -4.291) 10.597 21.064 ( -17.994 -1.137 9.248) 20.264 21.288 ( 28.413 -5.757 -1.476) 29.028 23.583 ( 9.272 8.236 2.579) 12.667 23.784 ( -5.613 1.973 -6.495) 8.808 ======================= Grid point 390 (202/260) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 6.293 8.879 17.650) 20.736 2.660 ( -4.692 11.345 9.420) 15.475 2.895 ( 1.795 1.821 2.148) 3.340 3.204 ( -0.715 5.911 -3.787) 7.057 3.538 ( -6.835 5.380 -14.576) 16.974 3.950 ( -8.568 11.250 -13.602) 19.621 4.592 ( 6.439 -4.322 18.391) 19.959 4.942 ( 2.874 3.769 22.605) 23.096 5.237 ( 7.060 -2.349 -4.853) 8.884 5.642 ( 2.800 7.055 -5.946) 9.642 6.252 ( -6.345 -7.057 4.520) 10.511 6.408 ( -4.847 -6.911 5.070) 9.847 6.877 ( 1.080 -5.167 2.289) 5.753 7.134 ( -6.687 2.072 -12.136) 14.010 7.379 ( 8.642 3.389 -0.030) 9.283 7.759 ( 16.335 8.756 -14.281) 23.397 8.631 ( -8.624 6.632 0.869) 10.914 8.887 ( 2.039 10.655 -1.633) 10.970 9.941 ( -3.406 -2.182 10.806) 11.538 10.276 ( -7.482 -6.599 -13.329) 16.649 10.960 ( 2.484 0.424 1.955) 3.189 11.443 ( 12.624 6.718 -8.829) 16.807 12.697 ( -3.814 5.058 12.852) 14.328 13.372 ( 0.513 3.014 -11.073) 11.488 14.075 ( -6.490 -6.040 -1.784) 9.044 14.272 ( -2.604 2.595 -0.383) 3.696 14.929 ( 2.599 -10.250 5.028) 11.709 15.136 ( 0.567 -3.105 -7.627) 8.254 16.471 ( -26.695 -6.967 21.150) 34.763 17.677 ( 9.111 4.214 1.921) 10.221 19.031 ( -7.838 -15.921 -4.739) 18.368 19.143 ( -2.963 0.735 -0.024) 3.053 20.729 ( -13.062 8.085 6.054) 16.511 21.907 ( 28.855 -12.814 -8.733) 32.758 23.565 ( -9.948 2.588 -6.761) 12.304 23.794 ( 5.666 5.992 -0.561) 8.266 ======================= Grid point 391 (203/260) ======================= q-point: ( 0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 3.075 8.584 15.059) 17.604 2.562 ( 1.061 11.811 10.571) 15.886 2.879 ( -2.073 -0.654 -2.275) 3.147 3.273 ( 4.649 0.095 -5.913) 7.523 3.389 ( -5.049 5.047 -16.991) 18.430 3.691 ( -12.620 5.606 -11.618) 18.046 4.706 ( -0.286 -7.410 14.314) 16.120 4.904 ( -6.159 -5.287 1.516) 8.257 5.429 ( 11.977 4.792 9.379) 15.949 5.742 ( 6.154 4.349 -2.265) 7.869 6.121 ( -5.680 -6.535 7.079) 11.184 6.408 ( 4.446 -1.173 -2.595) 5.280 6.927 ( 3.594 -2.816 2.664) 5.286 7.000 ( -4.681 -1.090 -7.038) 8.522 7.550 ( 5.339 9.147 3.510) 11.157 8.102 ( 17.152 9.246 -9.333) 21.605 8.470 ( -5.598 5.820 1.929) 8.303 8.875 ( -3.732 9.451 -2.093) 10.374 9.810 ( -9.491 1.360 6.788) 11.748 10.113 ( -6.911 -6.150 -12.957) 15.921 11.045 ( 6.103 -4.540 -0.462) 7.620 11.741 ( 14.643 4.437 -0.686) 15.315 12.619 ( -4.494 6.000 8.346) 11.218 13.296 ( -6.437 0.103 -11.737) 13.387 13.899 ( -7.580 0.027 -12.314) 14.460 14.250 ( -1.303 1.712 7.013) 7.336 14.913 ( -5.923 -1.001 8.717) 10.587 15.151 ( 0.784 -1.626 -4.965) 5.283 16.110 ( -7.511 -5.334 20.009) 22.028 17.855 ( 8.902 1.652 7.864) 11.992 18.728 ( -21.803 -16.582 -1.665) 27.443 19.130 ( 2.705 -2.776 -1.883) 4.309 20.546 ( -5.400 13.572 6.785) 16.106 22.406 ( 18.619 -13.066 -15.617) 27.591 23.322 ( -11.707 0.291 -6.709) 13.496 23.881 ( 2.497 4.447 -0.901) 5.179 ======================= Grid point 392 (204/260) ======================= q-point: ( 0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -2.969 10.945 10.428) 15.406 2.717 ( 4.094 0.356 3.892) 5.660 2.832 ( -3.157 1.673 -1.981) 4.085 3.193 ( -5.552 7.471 -19.917) 21.985 3.409 ( -0.604 0.035 -8.739) 8.760 3.594 ( 8.314 -4.991 -5.654) 11.225 4.554 ( -13.658 -14.286 13.469) 23.917 4.726 ( -10.350 -9.022 -7.612) 15.699 5.736 ( 15.987 9.367 11.225) 21.663 5.847 ( 3.511 1.601 5.586) 6.789 6.059 ( 0.188 -1.931 2.130) 2.881 6.554 ( 8.485 -1.242 -4.330) 9.606 6.902 ( -5.047 0.683 -4.050) 6.507 7.043 ( 6.994 1.200 6.669) 9.738 7.549 ( -5.007 6.876 2.426) 8.845 8.438 ( 2.093 8.786 8.998) 12.749 8.454 ( 15.264 7.654 -9.497) 19.539 8.750 ( -5.437 8.400 -2.771) 10.383 9.567 ( -13.930 1.875 3.084) 14.390 9.986 ( -5.319 -0.697 -11.278) 12.489 11.220 ( 11.084 -9.242 -0.537) 14.441 12.011 ( 11.219 0.932 6.036) 12.774 12.489 ( -9.174 2.625 6.124) 11.338 13.149 ( -6.720 1.489 -12.192) 14.001 13.773 ( -3.705 5.052 -13.369) 14.764 14.207 ( -4.157 9.670 6.354) 12.295 14.729 ( -9.053 -1.230 11.580) 14.751 15.165 ( 0.785 -1.637 -4.161) 4.540 16.154 ( 9.154 -4.097 12.197) 15.791 18.005 ( -5.965 -6.864 4.290) 10.055 18.282 ( -8.166 -4.536 3.674) 10.038 19.188 ( 1.244 -3.322 -0.996) 3.685 20.494 ( -0.033 11.264 10.821) 15.620 22.558 ( -5.528 -5.908 -26.132) 27.356 23.197 ( 2.925 -6.390 1.465) 7.179 23.897 ( -0.833 2.704 -2.021) 3.477 ======================= Grid point 393 (205/260) ======================= q-point: ( 0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -0.699 6.529 6.496) 9.237 2.657 ( -9.912 0.394 -0.033) 9.920 2.770 ( -0.156 1.612 -8.531) 8.684 3.088 ( -3.855 10.344 -21.100) 23.813 3.517 ( 11.157 -7.161 -0.133) 13.258 3.843 ( 13.028 -9.582 -2.158) 16.316 4.218 ( -17.948 -16.527 11.796) 27.100 4.488 ( -11.605 -10.295 -11.221) 19.146 5.903 ( 2.250 -0.162 8.200) 8.504 6.012 ( 7.430 7.002 5.145) 11.433 6.163 ( 10.877 4.265 5.665) 12.984 6.700 ( 3.775 0.509 2.469) 4.540 6.766 ( -6.166 2.639 -2.502) 7.158 7.141 ( -2.780 6.135 0.462) 6.751 7.502 ( 6.669 -0.232 4.160) 7.864 8.301 ( -13.404 10.905 0.185) 17.281 8.749 ( 12.104 9.621 -7.558) 17.211 8.850 ( 12.417 3.705 7.188) 14.818 9.263 ( -14.193 1.873 1.865) 14.437 9.857 ( -7.112 5.227 -11.057) 14.148 11.507 ( 16.534 -11.676 1.448) 20.293 12.216 ( 8.470 -2.566 9.143) 12.724 12.241 ( -14.488 0.593 4.086) 15.065 12.987 ( -8.982 -1.115 -11.717) 14.806 13.760 ( 3.276 13.900 -8.763) 16.755 14.040 ( -11.734 18.336 5.116) 22.362 14.654 ( 0.996 -8.331 11.225) 14.014 15.176 ( 0.617 -4.572 -8.699) 9.846 16.447 ( 18.291 -1.530 7.156) 19.701 17.533 ( -26.378 -9.788 -0.954) 28.151 18.513 ( 17.214 2.671 6.164) 18.479 19.132 ( -7.053 2.772 -0.123) 7.579 20.572 ( 7.247 3.578 17.188) 18.994 22.256 ( -18.758 -2.411 -28.167) 33.928 23.365 ( 9.958 -8.159 3.416) 13.319 23.845 ( -3.985 1.599 -3.648) 5.634 ======================= Grid point 394 (206/260) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -6.850 3.282 2.151) 7.894 2.486 ( -1.553 4.464 4.708) 6.671 2.784 ( 1.928 1.666 -11.299) 11.583 3.034 ( -0.199 9.313 -20.123) 22.175 3.720 ( -3.043 -15.043 9.245) 17.917 3.830 ( -7.210 -14.345 15.028) 21.991 4.112 ( 5.225 -7.365 -10.173) 13.602 4.328 ( 2.273 -10.212 -11.174) 15.308 5.949 ( 1.618 -1.199 7.293) 7.566 6.084 ( 0.555 3.811 0.300) 3.862 6.371 ( 2.002 5.118 12.425) 13.586 6.574 ( -4.109 7.965 2.916) 9.425 6.869 ( 9.977 1.399 -0.551) 10.089 6.963 ( -10.898 3.014 -1.490) 11.405 7.797 ( 16.985 2.068 4.243) 17.629 8.009 ( -12.517 8.998 -4.326) 16.011 8.767 ( -14.459 -1.362 4.595) 15.233 9.073 ( 10.046 3.394 -2.937) 11.003 9.224 ( 11.760 10.843 4.149) 16.525 9.679 ( -9.196 8.678 -11.651) 17.194 11.828 ( -0.393 -0.358 7.061) 7.081 11.967 ( 2.553 -12.430 -0.693) 12.709 12.378 ( 6.735 -1.714 8.323) 10.843 12.778 ( -10.226 -4.963 -10.306) 15.343 13.782 ( -11.920 17.782 2.332) 21.535 13.895 ( 9.241 21.351 -2.385) 23.387 14.696 ( 0.875 -9.931 11.676) 15.353 15.203 ( 3.154 -8.811 -13.606) 16.514 16.886 ( 18.861 -0.326 4.123) 19.309 17.066 ( -13.263 -6.630 -3.256) 15.181 18.839 ( 5.599 3.150 4.626) 7.916 18.940 ( -3.056 7.542 -1.361) 8.250 20.799 ( 13.275 -3.266 23.931) 27.560 21.832 ( -20.163 -1.972 -27.906) 34.484 23.536 ( 4.317 -3.965 4.707) 7.518 23.748 ( -3.475 -0.575 -5.879) 6.854 ======================= Grid point 395 (207/260) ======================= q-point: (-0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -4.783 8.446 10.634) 14.398 2.536 ( 4.474 1.508 1.658) 5.004 2.840 ( 3.584 4.026 -10.109) 11.456 3.060 ( 3.299 7.606 -16.965) 18.883 3.400 ( -16.233 -13.145 15.089) 25.768 3.750 ( -8.902 -7.427 1.511) 11.691 4.259 ( 11.449 -8.742 -6.204) 15.684 4.537 ( 12.504 -8.802 -3.925) 15.787 5.940 ( -5.970 3.092 7.112) 9.787 6.064 ( -0.265 -1.692 1.950) 2.596 6.218 ( -9.257 8.518 5.951) 13.917 6.586 ( -2.502 -3.103 3.587) 5.362 6.768 ( -5.220 3.134 0.591) 6.118 7.154 ( 15.877 7.531 -1.523) 17.639 7.745 ( -9.104 6.451 -5.574) 12.472 8.193 ( 15.563 1.966 3.837) 16.149 8.409 ( -16.735 -3.987 6.407) 18.358 9.164 ( -4.321 6.630 -4.024) 8.878 9.506 ( 10.294 8.804 1.221) 13.600 9.549 ( 3.552 9.576 -8.284) 13.151 11.523 ( -16.352 3.301 -1.055) 16.716 12.303 ( 15.848 -12.877 13.747) 24.617 12.509 ( 6.374 0.451 1.693) 6.610 12.556 ( -11.217 -7.160 -8.772) 15.939 13.577 ( -7.039 14.466 -0.765) 16.106 14.127 ( 12.457 21.836 0.577) 25.147 14.697 ( -0.115 -9.608 8.782) 13.018 15.292 ( 5.254 -10.313 -12.568) 17.086 16.714 ( -10.292 -7.005 -5.565) 13.637 17.493 ( 28.939 1.439 1.414) 29.009 18.612 ( -13.280 8.537 1.327) 15.843 19.142 ( 8.246 -0.957 -0.903) 8.351 21.098 ( 11.931 -6.232 24.938) 28.338 21.438 ( -14.551 0.209 -21.620) 26.061 23.459 ( -9.126 1.450 -0.458) 9.252 23.786 ( 4.932 -3.259 -1.829) 6.187 ======================= Grid point 396 (208/260) ======================= q-point: (-0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 1.517 11.551 17.953) 21.402 2.654 ( 6.562 0.218 -0.994) 6.641 2.836 ( -6.952 2.107 6.145) 9.515 3.129 ( 3.983 -0.430 -5.579) 6.868 3.240 ( 3.567 5.248 -4.911) 8.024 3.559 ( -7.928 0.799 -4.170) 8.993 4.494 ( 10.253 -8.708 0.684) 13.469 4.760 ( 8.650 -5.225 0.290) 10.110 5.668 ( -17.987 11.821 12.092) 24.688 6.018 ( -6.865 5.531 1.625) 8.964 6.192 ( 6.928 -6.725 -1.079) 9.715 6.467 ( -4.742 -6.546 -2.163) 8.368 6.748 ( 0.377 -1.786 3.327) 3.795 7.360 ( -0.546 7.774 -9.081) 11.967 7.689 ( 6.557 3.716 -2.224) 7.859 7.987 ( -18.952 -5.665 10.020) 22.174 8.563 ( 14.279 4.924 3.429) 15.488 8.949 ( -12.459 13.948 -11.572) 21.993 9.590 ( 4.289 -0.947 4.261) 6.120 9.819 ( 13.613 10.705 -4.839) 17.982 11.228 ( -11.780 4.748 -2.380) 12.922 12.259 ( -16.121 -1.378 -7.444) 17.810 12.537 ( 6.363 -7.208 18.498) 20.848 12.707 ( 11.627 -3.428 -1.432) 12.207 13.514 ( 1.059 7.686 -2.372) 8.113 14.371 ( 10.508 11.590 -2.607) 15.860 14.732 ( 2.873 -2.355 7.728) 8.574 15.376 ( 2.755 -9.491 -10.105) 14.134 16.609 ( 0.898 -3.895 -9.748) 10.536 18.088 ( 27.377 -4.287 3.030) 27.876 18.385 ( -7.897 8.025 -2.363) 11.504 19.199 ( -2.610 -8.499 -1.770) 9.065 21.019 ( -12.591 3.022 -14.745) 19.623 21.484 ( 10.615 -4.492 25.530) 28.011 23.266 ( -7.820 2.204 -1.982) 8.363 23.874 ( 3.164 -1.073 -1.280) 3.578 ======================= Grid point 397 (209/260) ======================= q-point: (-0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 3.839 10.380 19.634) 22.538 2.637 ( -7.723 2.604 16.915) 18.776 2.795 ( 4.859 -0.432 -1.486) 5.100 3.233 ( 3.745 4.555 -5.427) 8.014 3.389 ( 8.150 9.176 -10.526) 16.169 3.505 ( 5.677 10.075 -4.140) 12.283 4.654 ( 4.181 -7.058 7.203) 10.917 4.892 ( 4.607 -2.051 1.975) 5.416 5.286 ( -18.219 14.759 15.586) 28.154 5.844 ( -8.882 6.825 -1.635) 11.320 6.374 ( 8.250 -11.453 1.236) 14.169 6.464 ( 5.060 -7.141 -11.320) 14.309 6.754 ( 0.344 -5.800 5.186) 7.789 7.240 ( -6.886 1.548 -10.928) 13.009 7.590 ( -17.941 -5.135 13.207) 22.862 7.836 ( 1.252 6.812 -9.635) 11.866 8.739 ( -3.648 14.392 -8.685) 17.201 8.804 ( 6.473 10.116 0.651) 12.028 9.688 ( 5.262 -4.281 7.646) 10.221 10.075 ( 11.375 6.217 -5.356) 14.026 11.036 ( -6.969 6.497 -1.745) 9.686 11.890 ( -18.358 0.114 -8.959) 20.428 12.670 ( 5.721 -3.725 16.644) 17.990 12.924 ( 9.341 -0.577 0.291) 9.363 13.605 ( 7.363 0.846 -0.683) 7.443 14.559 ( 8.271 -2.681 -5.966) 10.545 14.769 ( -0.992 6.545 5.216) 8.428 15.380 ( -2.112 -9.549 -7.866) 12.551 16.737 ( 11.073 0.761 -10.898) 15.555 18.258 ( -7.150 7.165 -10.333) 14.465 18.568 ( 16.907 -19.773 5.844) 26.665 19.116 ( -0.590 -7.155 -0.781) 7.221 20.805 ( -6.197 8.768 -7.601) 13.155 21.607 ( -1.772 -6.074 23.505) 24.341 23.200 ( 2.559 4.511 0.169) 5.189 23.909 ( 0.266 0.759 -2.434) 2.564 ======================= Grid point 398 (210/260) ======================= q-point: (-0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -3.143 6.723 18.308) 19.755 2.622 ( 4.664 7.399 20.944) 22.697 2.836 ( -0.650 1.140 -6.150) 6.288 3.269 ( 1.256 10.807 -5.663) 12.266 3.614 ( 14.085 8.254 -9.080) 18.681 3.669 ( 5.897 12.775 -2.528) 14.296 4.657 ( -2.688 -5.239 15.217) 16.317 4.952 ( -8.439 10.087 9.882) 16.451 5.012 ( 1.206 3.260 8.928) 9.581 5.691 ( -5.161 5.728 -5.907) 9.712 6.457 ( -0.367 -10.441 2.309) 10.699 6.598 ( 4.055 -8.357 -12.355) 15.458 6.797 ( 4.472 -5.349 9.512) 11.794 7.138 ( -3.667 -1.707 -3.973) 5.670 7.288 ( -7.076 -1.176 -0.653) 7.203 7.720 ( -10.219 5.507 -15.329) 19.228 8.740 ( 3.138 16.498 -5.869) 17.790 8.871 ( -0.608 8.987 0.690) 9.034 9.820 ( 6.661 -6.129 10.877) 14.151 10.283 ( 8.624 0.887 -6.826) 11.034 10.928 ( -3.342 8.244 0.468) 8.908 11.532 ( -14.743 1.044 -11.916) 18.985 12.761 ( 1.758 -2.068 18.318) 18.518 13.113 ( 9.315 4.231 -4.845) 11.320 13.799 ( 10.855 -4.863 3.357) 12.359 14.671 ( -7.140 10.994 -7.804) 15.256 14.721 ( 6.312 -13.017 2.888) 14.752 15.287 ( -6.017 -9.783 -7.390) 13.657 17.003 ( 13.389 0.627 -4.692) 14.201 17.909 ( -25.568 -2.707 -11.062) 27.990 18.854 ( 13.475 -15.105 4.023) 20.637 19.217 ( 4.576 -3.733 -3.216) 6.725 20.836 ( 11.549 5.928 0.798) 13.006 21.428 ( -15.012 -5.998 15.302) 22.260 23.356 ( 10.885 7.386 2.966) 13.484 23.880 ( -2.991 1.737 -4.291) 5.511 ======================= Grid point 399 (211/260) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 1.346 7.809 17.191) 18.929 2.742 ( 1.740 -1.792 8.672) 9.025 2.938 ( 1.117 6.491 3.880) 7.644 3.489 ( -1.223 10.292 -8.382) 13.330 3.873 ( -6.946 12.027 -0.876) 13.916 4.146 ( 12.854 12.127 -6.795) 18.933 4.483 ( -5.189 -5.576 14.290) 16.193 5.037 ( -3.947 1.457 7.322) 8.445 5.130 ( 3.275 11.683 4.843) 13.064 5.740 ( 1.566 5.253 -6.471) 8.481 6.216 ( -4.736 -10.146 2.390) 11.449 6.278 ( -5.760 -16.009 4.778) 17.672 6.839 ( -4.484 -0.780 6.657) 8.064 7.079 ( 13.359 -1.300 1.769) 13.538 7.435 ( 1.579 3.501 -16.517) 16.957 7.560 ( 1.151 0.809 -16.054) 16.115 8.964 ( -7.222 9.834 3.048) 12.576 9.141 ( 1.112 18.334 -7.098) 19.691 9.823 ( 5.593 -6.347 12.554) 15.138 10.260 ( -3.629 -7.879 -10.793) 13.847 11.043 ( -3.575 6.141 5.107) 8.751 11.375 ( 1.950 1.085 -10.611) 10.843 12.816 ( 0.429 4.016 18.204) 18.647 13.393 ( 6.074 4.972 -10.090) 12.784 13.820 ( 6.977 -11.632 12.698) 18.580 14.536 ( -0.601 -11.308 -15.251) 18.995 14.628 ( -8.965 5.283 3.438) 10.959 15.092 ( 1.227 -1.855 -11.209) 11.428 16.848 ( -23.572 -9.915 22.930) 34.347 17.585 ( 5.946 3.332 -14.406) 15.937 19.015 ( -5.970 -6.811 -2.686) 9.447 19.067 ( 7.022 -2.627 -4.270) 8.628 21.052 ( -10.629 -0.105 8.186) 13.416 21.207 ( 18.723 -2.791 1.178) 18.966 23.708 ( 9.241 4.596 0.312) 10.325 23.818 ( -6.030 1.600 -4.942) 7.959 ======================= Grid point 400 (212/260) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 4.079 6.167 15.272) 16.968 2.759 ( 0.490 1.337 2.155) 2.582 2.989 ( 2.491 4.989 10.028) 11.474 3.401 ( -6.236 12.771 -4.825) 15.009 3.663 ( -10.607 8.951 -8.975) 16.528 4.144 ( -13.258 8.461 -6.667) 17.082 4.495 ( 5.010 -6.958 14.502) 16.847 4.939 ( -6.462 -4.256 -2.708) 8.198 5.294 ( 11.770 9.455 13.237) 20.079 5.776 ( 1.028 6.638 -3.892) 7.763 6.086 ( -4.594 -9.781 7.924) 13.400 6.256 ( 2.295 -9.088 -0.786) 9.407 6.796 ( 0.989 -2.993 5.152) 6.040 7.166 ( -11.071 1.345 -15.285) 18.921 7.428 ( 14.523 1.728 2.744) 14.880 7.898 ( 19.729 5.309 -18.660) 27.670 8.774 ( -10.598 7.541 5.539) 14.137 9.142 ( -0.851 15.586 -4.034) 16.122 9.896 ( 0.401 -2.350 11.819) 12.057 10.115 ( -8.633 -10.239 -12.472) 18.301 10.992 ( -0.987 2.626 3.272) 4.310 11.526 ( 11.011 1.933 -5.435) 12.431 12.805 ( -2.056 5.763 14.161) 15.426 13.429 ( -1.959 2.928 -13.358) 13.815 13.935 ( 2.396 -7.027 6.594) 9.930 14.341 ( -8.011 3.038 -13.350) 15.863 14.683 ( 5.796 -13.131 9.238) 17.069 15.149 ( 4.375 3.009 -11.354) 12.534 16.344 ( -22.932 -5.734 27.811) 36.500 17.756 ( 7.987 3.919 -3.043) 9.403 18.724 ( -15.398 -14.707 -3.931) 21.653 19.165 ( -0.955 1.067 -2.820) 3.162 20.879 ( -6.186 7.044 5.720) 10.981 21.687 ( 25.184 -9.612 -4.954) 27.408 23.611 ( -11.505 2.072 -7.130) 13.693 23.878 ( 5.073 2.874 -0.550) 5.856 ======================= Grid point 401 (213/260) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 3.466 0.724 9.093) 9.758 2.781 ( 1.071 6.848 4.145) 8.076 2.988 ( -3.892 11.119 11.312) 16.332 3.312 ( -0.335 5.299 -0.550) 5.339 3.472 ( -6.658 3.889 -17.598) 19.213 3.816 ( -16.199 7.945 -6.945) 19.333 4.470 ( -8.745 -17.227 11.455) 22.460 4.765 ( -10.059 -8.677 -9.544) 16.358 5.595 ( 16.213 11.526 14.101) 24.384 5.815 ( 3.430 3.371 4.422) 6.533 6.042 ( -0.849 -1.898 3.844) 4.370 6.353 ( 6.742 -4.859 -4.240) 9.330 6.871 ( 5.759 -2.520 7.286) 9.623 6.984 ( -5.103 -0.790 -12.471) 13.498 7.682 ( 7.004 4.622 3.861) 9.237 8.274 ( 16.727 7.981 -15.300) 24.032 8.592 ( -4.425 5.949 6.550) 9.893 9.082 ( -5.591 12.480 -3.125) 14.027 9.802 ( -10.024 -3.945 1.966) 10.951 9.988 ( -2.113 -5.431 -4.660) 7.461 11.006 ( 2.220 0.419 2.026) 3.035 11.759 ( 10.540 -2.270 1.108) 10.839 12.738 ( -5.258 6.213 9.608) 12.592 13.332 ( -5.983 2.960 -15.202) 16.602 13.923 ( -1.777 3.255 -10.155) 10.811 14.265 ( 0.067 0.100 2.440) 2.443 14.784 ( 2.182 -11.969 10.550) 16.104 15.215 ( 0.427 7.012 -8.965) 11.390 16.016 ( -7.891 -3.986 23.024) 24.663 17.884 ( 4.904 1.028 6.518) 8.221 18.406 ( -15.648 -14.834 -1.478) 21.612 19.119 ( -0.952 0.443 -3.699) 3.845 20.780 ( -4.246 10.379 6.441) 12.932 22.167 ( 20.196 -11.047 -10.894) 25.468 23.334 ( -14.176 0.755 -7.740) 16.169 23.940 ( 1.095 1.827 -1.096) 2.395 ======================= Grid point 402 (214/260) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.251 0.842 5.840) 5.906 2.757 ( -3.705 10.873 5.525) 12.747 2.897 ( -4.875 5.501 5.430) 9.138 3.326 ( 1.525 3.556 -6.917) 7.926 3.438 ( 0.730 1.135 -8.805) 8.908 3.525 ( -7.333 2.757 -12.400) 14.668 4.199 ( -16.403 -21.586 9.815) 28.833 4.519 ( -12.820 -12.598 -11.863) 21.535 5.886 ( 2.902 2.867 11.950) 12.627 5.956 ( 16.330 12.471 8.765) 22.339 6.051 ( 2.690 0.307 0.204) 2.715 6.515 ( 8.423 -3.110 -3.494) 9.634 6.913 ( -2.558 0.410 -5.048) 5.674 7.051 ( 11.464 -0.210 7.231) 13.556 7.638 ( -10.234 2.741 2.355) 10.854 8.548 ( 10.799 4.646 4.070) 12.441 8.702 ( 11.836 13.902 -7.402) 19.702 8.902 ( -9.673 7.999 -4.931) 13.486 9.551 ( -13.716 -4.005 1.956) 14.422 9.975 ( 0.119 -0.624 -5.673) 5.708 11.096 ( 6.897 -3.257 3.032) 8.208 11.943 ( 7.115 -6.621 6.431) 11.654 12.592 ( -9.003 7.553 5.788) 13.099 13.169 ( -9.566 -0.567 -15.088) 17.873 13.923 ( 3.126 10.173 -12.272) 16.244 14.307 ( 3.093 2.521 6.433) 7.570 14.733 ( -8.109 -2.144 13.794) 16.144 15.144 ( -4.636 1.429 -9.399) 10.577 16.068 ( 10.752 -4.462 9.363) 14.940 17.825 ( -17.852 -10.236 4.832) 21.138 18.251 ( 8.408 0.527 8.994) 12.323 19.147 ( 2.827 -1.232 -3.853) 4.935 20.696 ( -4.113 9.254 9.723) 14.039 22.424 ( 1.810 -7.233 -22.807) 23.995 23.107 ( -3.654 -3.188 1.237) 5.004 23.931 ( -1.782 0.955 -2.389) 3.130 ======================= Grid point 403 (215/260) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -3.408 11.352 10.096) 15.569 2.664 ( -6.094 1.603 4.020) 7.475 2.799 ( -2.296 1.226 -5.315) 5.918 3.284 ( -6.564 8.494 -16.252) 19.477 3.425 ( 7.203 -0.339 -2.216) 7.544 3.626 ( 5.574 -12.871 -0.493) 14.035 3.867 ( -12.425 -18.472 3.531) 22.540 4.251 ( -11.782 -14.150 -14.725) 23.577 5.936 ( 2.060 3.427 9.580) 10.381 6.103 ( 3.529 2.102 -0.344) 4.122 6.300 ( 13.087 9.142 10.795) 19.271 6.676 ( 7.507 -2.275 1.292) 7.950 6.835 ( -4.967 3.309 -1.434) 6.138 7.248 ( -3.655 5.091 2.249) 6.658 7.475 ( 7.159 -2.351 4.326) 8.688 8.509 ( -15.173 9.687 -4.138) 18.471 8.863 ( 11.343 3.534 -0.530) 11.892 8.988 ( 4.333 8.259 2.839) 9.749 9.293 ( -5.235 1.729 -0.402) 5.528 9.948 ( -3.240 3.514 -10.023) 11.104 11.314 ( 14.143 -7.819 5.982) 17.232 12.049 ( 1.578 -7.957 7.346) 10.943 12.400 ( -8.153 9.369 3.047) 12.788 12.927 ( -12.584 -5.166 -12.482) 18.462 14.041 ( 8.224 13.622 -6.743) 17.282 14.325 ( -5.537 10.439 9.045) 14.881 14.554 ( -4.742 -1.496 9.574) 10.788 15.065 ( -2.583 -6.062 -13.593) 15.106 16.408 ( 21.048 -2.431 2.197) 21.301 17.348 ( -24.554 -8.808 3.047) 26.263 18.575 ( 18.162 3.520 10.551) 21.297 19.176 ( -1.001 1.733 -2.430) 3.148 20.646 ( -0.266 3.861 15.982) 16.444 22.204 ( -17.646 -2.858 -29.546) 34.533 23.224 ( 11.042 -6.184 7.173) 14.547 23.863 ( -4.647 0.429 -4.561) 6.526 ======================= Grid point 404 (216/260) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -6.944 6.365 5.440) 10.878 2.599 ( -0.792 7.227 9.730) 12.146 2.820 ( 4.120 1.223 -5.884) 7.287 3.193 ( -2.220 7.036 -17.730) 19.204 3.431 ( -13.804 -15.121 14.467) 25.069 3.587 ( 4.205 -8.302 4.659) 10.407 3.937 ( 9.708 -10.400 -14.109) 20.036 4.080 ( -0.518 -14.840 -16.168) 21.952 5.971 ( 0.494 3.074 8.680) 9.221 6.153 ( 0.642 2.847 -0.895) 3.052 6.444 ( -0.491 2.385 12.254) 12.493 6.693 ( -6.387 4.414 5.763) 9.669 6.917 ( 14.739 3.392 -1.396) 15.188 7.032 ( -10.643 3.589 -1.102) 11.286 7.828 ( 19.944 1.096 4.924) 20.572 8.166 ( -16.350 6.959 -9.033) 19.934 8.737 ( -18.897 -1.511 11.870) 22.367 9.112 ( 10.311 1.806 2.799) 10.836 9.482 ( 14.652 13.581 -4.883) 20.566 9.821 ( -8.042 5.653 -13.433) 16.645 11.668 ( 18.593 -11.237 9.580) 23.743 11.926 ( -12.339 3.505 -3.167) 13.212 12.363 ( 3.931 0.180 8.549) 9.411 12.668 ( -11.449 -6.556 -9.187) 16.077 14.081 ( -12.048 13.098 5.999) 18.781 14.272 ( 11.312 15.650 -1.705) 19.385 14.534 ( -1.406 -5.646 9.957) 11.532 15.039 ( 1.365 -7.627 -15.524) 17.350 16.842 ( -4.480 -4.329 1.278) 6.360 16.959 ( 12.649 -3.757 -3.358) 13.615 18.898 ( 8.872 2.927 7.614) 12.052 19.091 ( -4.924 7.341 -2.716) 9.247 20.735 ( 8.264 -3.210 24.496) 26.051 21.796 ( -18.955 -1.652 -28.118) 33.951 23.461 ( 10.091 -3.616 6.607) 12.591 23.736 ( -6.933 -0.616 -7.112) 9.951 ======================= Grid point 405 (217/260) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -2.032 6.755 8.200) 10.816 2.626 ( 3.049 7.532 10.079) 12.946 2.962 ( 9.681 5.595 -4.006) 11.878 3.055 ( -12.201 -8.648 7.017) 16.520 3.287 ( 2.041 4.105 -6.988) 8.357 3.591 ( -3.443 -7.646 -0.443) 8.397 4.089 ( 9.848 -8.556 -14.433) 19.455 4.283 ( 14.449 -16.997 -9.460) 24.231 5.966 ( -0.946 1.310 7.393) 7.568 6.112 ( -4.744 4.245 1.773) 6.608 6.335 ( -8.228 2.699 8.514) 12.143 6.571 ( -6.519 1.877 3.229) 7.513 6.829 ( -8.040 3.007 1.093) 8.653 7.289 ( 18.842 6.162 -0.777) 19.840 7.837 ( -13.823 3.067 -10.850) 17.838 8.213 ( 7.176 0.123 9.345) 11.783 8.369 ( -8.026 -0.393 10.953) 13.585 9.269 ( 3.202 4.412 1.300) 5.604 9.609 ( -6.366 3.892 -11.988) 14.121 9.796 ( 11.806 12.679 -5.713) 18.242 11.612 ( -14.653 5.843 -8.725) 18.027 12.072 ( 16.778 -10.924 12.926) 23.831 12.426 ( -6.676 -4.380 -1.409) 8.108 12.520 ( 5.310 -1.388 3.411) 6.462 13.836 ( -10.671 12.014 1.651) 16.153 14.447 ( -2.742 2.551 3.362) 5.033 14.568 ( 12.286 4.925 7.244) 15.088 15.107 ( 5.032 -8.537 -12.983) 16.333 16.586 ( -7.552 -5.659 -5.952) 11.157 17.503 ( 27.174 -0.324 -4.336) 27.520 18.783 ( -12.573 8.769 1.809) 15.436 19.119 ( 0.744 -1.601 -0.738) 1.913 20.985 ( 12.991 -5.181 28.445) 31.698 21.443 ( -12.905 0.258 -21.011) 24.659 23.487 ( -8.734 1.442 -4.509) 9.935 23.720 ( 6.923 -3.451 0.565) 7.756 ======================= Grid point 406 (218/260) ======================= q-point: (-0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 2.510 7.187 11.232) 13.569 2.728 ( 5.435 8.152 8.462) 12.945 2.811 ( -10.056 -5.959 17.195) 20.791 3.199 ( 12.248 9.098 -4.926) 16.033 3.405 ( 7.975 9.004 -8.999) 15.022 3.523 ( -0.630 -2.983 -5.176) 6.007 4.315 ( 11.249 -9.245 -8.851) 17.039 4.571 ( 13.032 -14.402 -6.346) 20.433 5.881 ( -11.495 9.128 11.028) 18.359 6.009 ( -1.859 -1.654 3.464) 4.265 6.220 ( -1.554 3.659 -0.277) 3.985 6.400 ( -8.857 0.587 0.555) 8.894 6.701 ( -4.920 -3.028 3.184) 6.596 7.465 ( -8.804 3.348 -11.728) 15.042 7.743 ( 8.156 1.781 -1.124) 8.423 7.922 ( -15.112 -1.426 16.267) 22.249 8.642 ( 15.351 3.210 5.876) 16.748 9.194 ( -7.542 11.405 -11.735) 18.018 9.560 ( 1.242 -2.324 -1.068) 2.843 10.021 ( 9.422 9.569 -4.906) 14.298 11.340 ( -10.627 6.744 -9.421) 15.721 12.142 ( -11.653 -8.958 -4.905) 15.495 12.446 ( 10.435 -2.617 19.161) 21.975 12.709 ( 11.119 1.899 2.597) 11.575 13.666 ( -5.318 8.070 -0.747) 9.694 14.388 ( -1.426 -6.012 2.153) 6.544 14.817 ( 9.459 7.245 5.372) 13.070 15.192 ( 2.713 -9.084 -9.342) 13.310 16.585 ( 7.905 1.793 -13.360) 15.626 17.972 ( 16.018 -7.136 -1.266) 17.582 18.553 ( -8.168 8.901 -4.275) 12.815 19.037 ( -6.363 -8.070 0.281) 10.281 21.094 ( -5.427 4.648 -4.480) 8.434 21.390 ( 8.011 -5.175 20.624) 22.722 23.298 ( -7.019 1.028 -6.672) 9.739 23.855 ( 5.219 -0.828 0.733) 5.335 ======================= Grid point 407 (219/260) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 1.555 6.263 11.784) 13.435 2.642 ( -4.029 -1.792 18.111) 18.640 2.873 ( 5.477 8.926 8.578) 13.537 3.391 ( 4.512 9.743 -9.877) 14.589 3.514 ( 9.015 2.719 -4.489) 10.432 3.706 ( 13.800 12.244 -1.699) 18.527 4.503 ( 6.218 -8.026 -3.631) 10.783 4.799 ( 9.381 -8.132 -4.535) 13.217 5.582 ( -16.033 15.155 13.201) 25.710 5.932 ( -7.310 1.117 1.358) 7.519 6.226 ( 0.320 -2.496 2.305) 3.412 6.356 ( 6.567 -4.041 -9.591) 12.306 6.617 ( -2.832 -8.210 6.727) 10.986 7.245 ( -8.644 -0.246 -11.549) 14.428 7.513 ( -17.421 -3.282 15.953) 23.848 7.956 ( 0.926 5.256 -7.405) 9.128 8.892 ( 8.447 5.710 3.738) 10.860 9.099 ( 0.276 15.455 -11.158) 19.064 9.596 ( 2.322 -5.232 3.672) 6.801 10.177 ( 6.005 4.273 -5.302) 9.079 11.174 ( -5.256 7.428 -6.725) 11.316 11.832 ( -16.640 -5.291 -5.621) 18.344 12.643 ( 7.287 0.063 20.962) 22.193 12.958 ( 12.403 3.813 0.021) 12.976 13.621 ( 0.738 1.047 0.387) 1.338 14.402 ( 2.401 -9.723 0.789) 10.046 14.934 ( 1.560 6.306 -0.973) 6.568 15.190 ( -2.488 -9.135 -8.177) 12.510 16.833 ( 13.714 9.603 -14.205) 21.956 18.131 ( -3.363 -23.007 -0.181) 23.252 18.391 ( -3.239 5.047 -6.114) 8.564 19.030 ( 6.568 -2.565 0.544) 7.071 20.969 ( -4.637 8.041 -3.171) 9.809 21.484 ( -2.676 -6.388 21.726) 22.803 23.266 ( 5.037 2.312 -3.241) 6.421 23.926 ( 1.534 0.855 -0.934) 1.989 ======================= Grid point 408 (220/260) ======================= q-point: (-0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -2.202 6.484 15.503) 16.948 2.672 ( 3.726 -1.390 15.811) 16.303 2.934 ( 0.373 8.676 1.919) 8.894 3.462 ( 3.440 8.286 -6.506) 11.082 3.774 ( 14.260 8.161 -8.106) 18.321 3.945 ( 7.666 14.236 4.750) 16.852 4.546 ( -1.440 -5.395 4.689) 7.291 4.972 ( 7.699 -2.281 -7.611) 11.063 5.272 ( -13.817 17.169 17.593) 28.199 5.779 ( -5.440 2.928 -3.223) 6.968 6.247 ( 0.416 -10.456 1.824) 10.622 6.414 ( -3.994 -11.227 -5.897) 13.296 6.706 ( 11.889 -3.443 6.390) 13.930 7.110 ( -9.366 -1.080 6.168) 11.266 7.260 ( 0.277 -1.606 -8.066) 8.228 7.812 ( -12.354 3.906 -13.313) 18.577 9.020 ( 3.076 11.556 -0.621) 11.975 9.119 ( 0.573 16.302 -6.492) 17.556 9.686 ( 6.123 -7.687 9.323) 13.546 10.267 ( 2.744 -2.338 -7.369) 8.203 11.100 ( -2.304 9.109 -1.346) 9.492 11.505 ( -13.001 -3.637 -7.467) 15.428 12.766 ( 3.684 2.042 20.201) 20.636 13.207 ( 11.390 5.422 -4.236) 13.307 13.685 ( 5.033 -6.642 5.948) 10.239 14.471 ( 3.810 -12.391 0.332) 12.968 14.866 ( -8.429 8.626 -8.025) 14.486 15.115 ( -2.902 -7.373 -10.072) 12.815 17.043 ( 4.919 3.879 0.902) 6.329 17.758 ( -21.571 -12.233 -10.929) 27.100 18.665 ( 21.555 -4.708 -0.430) 22.068 19.147 ( 1.326 -3.265 -2.434) 4.283 20.951 ( 4.430 5.770 2.631) 7.735 21.314 ( -12.520 -5.563 13.458) 19.204 23.466 ( 12.449 3.991 0.183) 13.075 23.915 ( -2.558 1.717 -2.780) 4.150 ======================= Grid point 409 (221/260) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 0.929 4.585 17.983) 18.581 2.692 ( 3.549 -2.759 8.122) 9.283 3.035 ( -1.608 2.962 2.583) 4.246 3.617 ( -0.256 3.117 -13.411) 13.770 4.100 ( -0.527 10.590 7.037) 12.726 4.253 ( 5.911 -3.283 12.931) 14.592 4.448 ( -5.207 2.402 -3.391) 6.662 4.997 ( -3.017 -1.938 -12.083) 12.604 5.458 ( -1.948 19.107 13.629) 23.551 5.777 ( 4.951 -7.417 2.864) 9.366 5.975 ( -9.913 -6.513 2.471) 12.116 6.054 ( -0.392 -8.237 -0.547) 8.264 6.837 ( -8.076 0.154 7.286) 10.878 7.057 ( 18.694 -0.762 2.974) 18.944 7.499 ( 1.648 3.141 -17.239) 17.600 7.549 ( 0.981 -1.788 -16.758) 16.881 9.125 ( -9.906 5.518 6.127) 12.889 9.455 ( 2.787 11.629 -11.593) 16.655 9.717 ( 8.413 -3.643 11.628) 14.807 10.098 ( -7.738 -7.278 -8.275) 13.465 11.129 ( -7.528 2.475 4.791) 9.261 11.382 ( 5.792 -0.018 -6.789) 8.924 12.887 ( 1.516 2.617 17.722) 17.978 13.461 ( 4.126 1.577 -10.474) 11.367 13.639 ( 7.119 -5.441 15.230) 17.670 14.344 ( 2.325 -5.838 -7.143) 9.513 14.739 ( -13.450 3.577 -9.149) 16.656 15.079 ( 4.751 -0.039 -12.037) 12.941 16.705 ( -23.681 -4.244 28.434) 37.247 17.629 ( 9.184 1.193 -17.953) 20.201 18.909 ( -15.969 -3.240 -1.217) 16.340 19.040 ( 14.783 -0.630 -6.303) 16.083 21.055 ( -5.698 0.154 7.619) 9.515 21.175 ( 12.648 -0.713 2.372) 12.888 23.761 ( 9.862 1.217 -0.063) 9.937 23.842 ( -7.015 0.715 -4.546) 8.390 ======================= Grid point 410 (222/260) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 0.281 1.770 12.815) 12.940 2.777 ( 4.262 0.678 5.624) 7.089 3.048 ( 2.488 1.433 8.296) 8.779 3.553 ( -4.404 2.927 -17.264) 18.055 3.940 ( -12.893 18.191 7.994) 23.686 4.247 ( -11.528 -2.756 12.173) 16.991 4.304 ( -5.802 -8.329 -1.317) 10.235 4.854 ( -9.338 -2.993 -13.961) 17.061 5.546 ( 9.366 15.154 15.017) 23.300 5.818 ( -1.775 -9.360 10.500) 14.178 5.945 ( 6.525 1.797 -1.288) 6.889 6.085 ( 3.843 -7.674 -2.055) 8.825 6.762 ( 0.638 -0.762 4.058) 4.178 7.184 ( -13.854 0.467 -16.021) 21.185 7.448 ( 17.633 0.481 3.920) 18.070 7.960 ( 22.193 1.436 -21.678) 31.057 8.886 ( -12.879 3.429 9.208) 16.199 9.440 ( -2.527 13.202 -7.203) 15.250 9.855 ( -1.901 -2.715 5.342) 6.286 9.906 ( -4.765 -9.023 -3.630) 10.830 11.041 ( -1.727 1.776 4.026) 4.727 11.533 ( 8.251 -0.460 -2.701) 8.694 12.892 ( -1.649 2.684 13.851) 14.205 13.480 ( -1.521 1.933 -13.562) 13.784 13.842 ( 10.950 -2.336 11.613) 16.131 14.317 ( -5.643 -4.337 -23.502) 24.556 14.542 ( -2.744 -1.205 10.342) 10.767 15.202 ( 7.337 1.714 -11.487) 13.737 16.267 ( -19.294 -2.109 32.843) 38.149 17.816 ( 7.881 1.926 -9.365) 12.390 18.513 ( -19.381 -6.276 -0.604) 20.381 19.179 ( -0.106 0.379 -4.388) 4.406 20.980 ( -2.535 3.020 5.566) 6.821 21.556 ( 22.279 -3.732 -3.216) 22.817 23.639 ( -12.104 0.754 -7.247) 14.128 23.911 ( 4.497 0.723 -0.191) 4.559 ======================= Grid point 411 (223/260) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.852 -0.275 6.525) 6.586 2.859 ( 2.788 1.950 5.511) 6.477 3.117 ( 2.849 1.977 9.313) 9.938 3.451 ( -4.164 3.328 -14.478) 15.428 3.640 ( -15.007 17.749 5.011) 23.777 3.958 ( -15.083 1.806 6.213) 16.412 4.100 ( -13.063 -16.932 -0.574) 21.394 4.600 ( -14.333 -6.739 -15.642) 22.260 5.798 ( 11.308 6.394 16.572) 21.057 5.880 ( 8.168 4.082 7.976) 12.124 6.031 ( 1.964 0.408 0.920) 2.207 6.230 ( 9.481 -6.590 -3.018) 11.934 6.840 ( 6.212 -0.722 6.009) 8.673 6.971 ( -5.317 -0.408 -14.250) 15.215 7.736 ( 7.380 1.295 3.728) 8.369 8.381 ( 17.773 2.881 -19.186) 26.311 8.673 ( -4.088 2.201 9.406) 10.489 9.348 ( -7.517 14.795 -4.711) 17.251 9.627 ( -11.036 -12.932 -7.747) 18.682 9.940 ( 0.751 -0.572 8.881) 8.931 11.037 ( 0.899 1.716 2.860) 3.454 11.695 ( 7.072 -2.821 3.024) 8.192 12.835 ( -4.359 3.078 9.475) 10.874 13.375 ( -8.151 1.108 -16.680) 18.598 14.049 ( 5.922 9.609 -6.370) 12.961 14.225 ( 2.189 -5.824 -6.617) 9.082 14.563 ( 2.073 -7.800 10.764) 13.453 15.326 ( 2.660 3.324 -9.113) 10.058 15.969 ( -9.156 -0.956 27.770) 29.256 17.887 ( -1.958 -0.470 -0.171) 2.021 18.211 ( -7.904 -5.013 3.455) 9.977 19.128 ( -2.225 0.329 -4.729) 5.236 20.924 ( -3.686 4.090 6.376) 8.424 22.013 ( 20.587 -4.434 -8.595) 22.745 23.345 ( -15.385 0.298 -8.445) 17.553 23.959 ( 0.482 0.385 -0.682) 0.920 ======================= Grid point 412 (224/260) ======================= q-point: ( 0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 1.201 -0.863 4.301) 4.548 2.873 ( -1.762 1.656 4.086) 4.748 3.122 ( -4.940 11.692 9.659) 15.950 3.347 ( -6.088 2.316 4.362) 7.839 3.436 ( -1.648 2.044 -13.651) 13.901 3.671 ( -12.084 -0.916 5.889) 13.474 3.816 ( -12.924 -9.487 -8.736) 18.258 4.275 ( -15.537 -10.557 -17.344) 25.567 5.939 ( 4.236 2.049 14.574) 15.315 6.051 ( 1.297 -0.234 -0.363) 1.367 6.179 ( 16.335 9.243 6.378) 19.823 6.430 ( 9.046 -5.210 0.118) 10.440 6.918 ( -0.794 0.101 -6.817) 6.864 7.044 ( 13.471 -0.339 6.726) 15.060 7.668 ( -12.504 0.716 2.620) 12.795 8.612 ( 9.607 1.772 3.585) 10.406 8.877 ( 16.192 3.721 -7.509) 18.232 9.098 ( -13.435 11.255 -13.000) 21.821 9.420 ( -10.693 -8.363 2.950) 13.892 9.961 ( 1.632 -0.600 2.328) 2.905 11.081 ( 3.604 0.559 4.611) 5.879 11.826 ( 5.530 -4.084 7.047) 9.845 12.727 ( -6.291 4.912 5.257) 9.557 13.132 ( -14.307 -2.181 -15.871) 21.479 14.101 ( 3.328 5.986 -13.274) 14.936 14.376 ( 7.702 5.801 5.194) 10.953 14.602 ( 0.612 -9.368 9.392) 13.279 15.207 ( -12.270 2.964 -5.324) 13.700 16.003 ( 11.152 -1.960 8.174) 13.965 17.674 ( -18.185 -4.456 4.781) 19.324 18.269 ( 12.555 0.735 12.035) 17.408 19.133 ( 2.719 -0.308 -5.625) 6.255 20.825 ( -6.096 3.680 9.425) 11.813 22.316 ( 5.966 -3.275 -19.931) 21.061 23.068 ( -7.434 -0.945 -0.235) 7.497 23.940 ( -2.140 0.159 -2.234) 3.098 ======================= Grid point 413 (225/260) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -0.166 -0.242 5.303) 5.311 2.810 ( -3.544 0.347 3.033) 4.677 2.929 ( -10.901 16.843 12.106) 23.432 3.288 ( -3.144 -13.135 7.092) 15.255 3.408 ( -4.390 -0.030 -6.138) 7.546 3.503 ( -2.054 -3.420 -0.072) 3.990 3.647 ( -0.245 3.155 -21.186) 21.421 3.976 ( -11.817 -12.895 -19.079) 25.883 6.012 ( 2.383 3.573 10.581) 11.419 6.105 ( 3.761 -1.315 -0.026) 3.984 6.468 ( 7.282 7.473 8.554) 13.492 6.612 ( 11.360 -4.307 4.685) 13.021 6.880 ( -2.822 1.230 -3.167) 4.417 7.334 ( -7.694 3.663 1.851) 8.720 7.421 ( 12.226 -2.943 5.275) 13.637 8.642 ( -15.212 3.731 -7.193) 17.236 8.916 ( 8.718 1.757 0.006) 8.894 9.085 ( -13.651 1.822 11.555) 17.977 9.339 ( 15.565 2.346 -11.926) 19.748 9.981 ( -0.978 0.381 -6.050) 6.141 11.219 ( 10.143 -2.232 9.656) 14.181 11.937 ( 4.946 -3.244 6.405) 8.718 12.579 ( -8.419 8.483 0.893) 11.985 12.801 ( -15.811 -7.089 -11.108) 20.582 14.213 ( 7.630 3.761 -6.041) 10.433 14.466 ( -1.254 6.040 10.510) 12.187 14.557 ( -4.657 -0.888 9.002) 10.174 14.979 ( -6.157 -2.314 -16.301) 17.578 16.368 ( 22.980 -1.287 -1.759) 23.083 17.224 ( -23.731 -3.552 5.315) 24.577 18.630 ( 18.825 1.737 13.844) 23.432 19.196 ( 2.522 0.440 -4.229) 4.943 20.703 ( -5.139 1.736 15.517) 16.438 22.160 ( -16.298 -1.352 -30.309) 34.439 23.141 ( 11.240 -2.295 9.098) 14.641 23.867 ( -4.916 0.032 -4.938) 6.968 ======================= Grid point 414 (226/260) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -3.647 6.140 7.878) 10.633 2.747 ( -3.045 1.661 9.712) 10.312 2.804 ( 0.738 3.326 7.659) 8.382 3.129 ( -10.053 -13.216 13.387) 21.329 3.363 ( 1.383 10.032 -10.390) 14.509 3.538 ( 2.379 -1.287 -4.826) 5.532 3.738 ( 6.735 -7.944 -20.611) 23.093 3.824 ( 0.826 -9.695 -20.422) 22.622 6.035 ( -0.907 2.535 8.031) 8.470 6.182 ( 2.790 0.389 -0.068) 2.817 6.468 ( -5.061 0.399 12.031) 13.058 6.748 ( -4.925 1.432 8.570) 9.987 6.973 ( 16.966 1.805 -3.519) 17.421 7.083 ( -10.505 1.484 -1.517) 10.717 7.840 ( 21.284 0.260 5.927) 22.095 8.261 ( -19.035 2.649 -12.720) 23.047 8.716 ( -19.733 -0.630 16.896) 25.986 9.141 ( 10.519 0.919 2.934) 10.959 9.688 ( 15.836 6.649 -8.845) 19.319 9.883 ( -7.782 0.975 -12.894) 15.092 11.510 ( 16.568 -4.563 13.483) 21.843 11.992 ( -2.848 2.289 -6.990) 7.887 12.394 ( -5.715 2.994 4.546) 7.892 12.538 ( -9.005 -6.113 -2.853) 11.252 14.264 ( -12.483 5.723 8.176) 15.982 14.372 ( 3.692 -1.978 6.824) 8.007 14.569 ( 5.452 5.257 -0.453) 7.587 14.933 ( 0.783 -2.993 -15.607) 15.910 16.764 ( -17.984 -2.623 1.325) 18.222 16.916 ( 27.736 -1.088 -6.283) 28.460 18.941 ( 8.237 1.295 9.729) 12.814 19.195 ( -2.995 3.019 -3.740) 5.663 20.688 ( 4.271 -1.396 25.148) 25.547 21.774 ( -17.761 -0.627 -28.265) 33.388 23.410 ( 12.945 -1.466 7.902) 15.237 23.727 ( -8.348 -0.271 -7.999) 11.565 ======================= Grid point 415 (227/260) ======================= q-point: (-0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -2.686 8.696 8.926) 12.748 2.738 ( -0.082 -5.030 13.578) 14.480 2.858 ( 1.011 3.451 9.118) 9.802 3.024 ( 3.472 -6.191 11.785) 13.757 3.448 ( 7.095 12.089 -6.263) 15.352 3.525 ( -1.713 0.171 -12.398) 12.517 3.907 ( 12.102 -14.239 -16.467) 24.908 3.989 ( 11.907 -6.588 -18.377) 22.867 5.995 ( -2.355 1.147 5.181) 5.806 6.181 ( -3.512 2.429 4.281) 6.047 6.339 ( -6.922 -0.974 10.351) 12.491 6.622 ( -6.524 2.030 2.693) 7.344 6.872 ( -10.706 1.241 0.587) 10.794 7.375 ( 20.580 2.442 -0.856) 20.742 7.869 ( -17.942 0.562 -13.980) 22.752 8.210 ( 0.546 -0.148 14.739) 14.750 8.373 ( -0.667 0.371 11.668) 11.693 9.330 ( 7.107 1.705 3.808) 8.241 9.659 ( -11.067 1.293 -17.039) 20.358 9.977 ( 11.233 5.260 -6.497) 14.002 11.735 ( -11.193 6.573 -12.849) 18.265 11.890 ( 11.227 -7.915 7.570) 15.684 12.384 ( -4.604 -0.261 3.041) 5.524 12.475 ( 9.347 -2.426 9.669) 13.665 14.012 ( -11.455 5.520 3.445) 13.174 14.355 ( -4.001 -4.224 8.829) 10.574 14.766 ( 10.576 8.443 1.202) 13.586 14.968 ( 3.030 -6.009 -11.396) 13.235 16.514 ( -3.658 -1.842 -7.381) 8.441 17.491 ( 25.745 -0.522 -8.337) 27.067 18.927 ( -8.427 5.492 5.560) 11.493 19.076 ( -8.369 -2.553 -3.930) 9.592 20.914 ( 14.882 -1.986 31.573) 34.961 21.447 ( -12.269 0.143 -21.250) 24.538 23.511 ( -10.329 0.843 -9.277) 13.909 23.666 ( 9.940 -1.744 4.294) 10.967 ======================= Grid point 416 (228/260) ======================= q-point: (-0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.133 4.836 8.399) 9.693 2.677 ( -4.776 -6.330 14.475) 16.504 2.951 ( 7.473 13.722 14.512) 21.325 3.215 ( 11.094 -9.928 10.164) 18.026 3.485 ( 0.489 3.279 -15.365) 15.719 3.673 ( 13.273 13.230 -2.008) 18.848 4.174 ( 12.851 -4.783 -16.961) 21.810 4.261 ( 15.456 -14.616 -14.279) 25.620 5.962 ( -1.731 0.695 6.138) 6.415 6.045 ( -9.342 2.954 9.754) 13.825 6.240 ( -1.288 -0.246 2.704) 3.005 6.475 ( -8.552 4.735 -1.879) 9.955 6.635 ( -11.481 -3.391 3.542) 12.485 7.502 ( -14.884 0.833 -13.618) 20.191 7.759 ( 5.823 0.179 1.507) 6.017 7.915 ( -8.497 0.123 17.627) 19.568 8.683 ( 15.936 1.116 7.893) 17.819 9.378 ( -4.054 7.784 -10.681) 13.824 9.495 ( -1.064 -4.593 -5.701) 7.398 10.155 ( 6.264 3.810 -4.806) 8.766 11.460 ( -11.212 4.577 -14.672) 19.025 11.986 ( -6.438 -5.681 -1.740) 8.761 12.426 ( 9.370 -0.050 17.934) 20.234 12.732 ( 13.907 0.317 5.841) 15.087 13.801 ( -8.921 4.848 2.093) 10.367 14.273 ( -3.302 -4.312 4.599) 7.116 14.921 ( 4.260 3.998 -2.845) 6.498 15.044 ( 3.860 -6.002 -1.901) 7.385 16.648 ( 16.659 3.060 -17.255) 24.179 17.852 ( 5.956 -4.080 -4.289) 8.397 18.709 ( -12.554 6.706 -6.726) 15.742 18.897 ( -3.582 -6.174 4.210) 8.287 21.190 ( 0.964 5.187 6.446) 8.329 21.290 ( 4.105 -5.223 12.513) 14.167 23.308 ( -6.829 0.201 -9.623) 11.802 23.844 ( 6.655 -0.301 2.095) 6.983 ======================= Grid point 417 (229/260) ======================= q-point: (-0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 1.081 1.324 6.839) 7.049 2.607 ( -2.132 -1.228 18.375) 18.539 3.094 ( 3.554 11.523 10.897) 16.253 3.405 ( 6.999 -6.677 2.126) 9.904 3.604 ( 12.496 5.094 -8.226) 15.804 3.953 ( 12.272 10.585 5.896) 17.245 4.389 ( 8.406 -2.453 -15.342) 17.665 4.599 ( 17.026 -10.362 -13.417) 24.026 5.817 ( -11.482 7.764 13.561) 19.391 5.912 ( -4.846 -1.476 6.054) 7.894 6.247 ( -8.960 1.754 -3.952) 9.949 6.323 ( 2.745 1.740 -5.457) 6.352 6.455 ( -3.096 -8.034 8.116) 11.833 7.244 ( -7.964 0.097 -13.078) 15.313 7.463 ( -18.611 -1.625 17.922) 25.888 8.026 ( 0.643 1.915 -6.207) 6.528 8.975 ( 12.952 2.552 7.404) 15.135 9.339 ( 2.121 9.405 -12.376) 15.688 9.490 ( -0.189 -5.918 -1.035) 6.010 10.233 ( 1.499 1.503 -4.092) 4.610 11.292 ( -4.395 3.959 -10.951) 12.446 11.736 ( -15.438 -3.518 -1.937) 15.951 12.649 ( 9.430 0.314 20.914) 22.944 13.027 ( 14.053 2.274 0.932) 14.267 13.650 ( -5.717 1.568 4.094) 7.204 14.246 ( 0.592 -5.283 0.721) 5.365 14.974 ( 1.824 -1.004 -8.718) 8.963 15.084 ( -0.539 -1.593 -1.420) 2.201 17.067 ( 19.555 11.902 -22.003) 31.752 17.730 ( -13.876 -15.947 6.129) 22.010 18.459 ( -5.870 1.836 -7.311) 9.554 19.002 ( 8.841 -0.595 0.504) 8.876 21.095 ( -4.571 4.336 -2.298) 6.707 21.380 ( -2.754 -3.766 21.918) 22.410 23.292 ( 6.269 0.600 -4.904) 7.982 23.938 ( 2.354 0.359 -0.248) 2.394 ======================= Grid point 418 (230/260) ======================= q-point: (-0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 0.019 4.092 14.180) 14.758 2.624 ( 2.395 -3.080 13.551) 14.101 3.090 ( -2.808 5.588 2.033) 6.576 3.554 ( 6.386 1.613 -4.248) 7.838 3.906 ( 14.959 4.576 -0.994) 15.674 4.145 ( 5.777 5.168 14.101) 16.091 4.490 ( 1.559 -0.116 -9.900) 10.022 4.910 ( 11.970 -3.147 -14.793) 19.288 5.590 ( -10.263 14.135 14.519) 22.714 5.788 ( -5.765 -2.245 5.286) 8.137 6.097 ( -4.293 -4.543 -1.270) 6.379 6.197 ( -10.081 -8.923 -2.429) 13.680 6.670 ( 16.565 -0.721 3.674) 16.983 7.097 ( -14.992 -0.350 13.040) 19.872 7.235 ( 6.739 -0.767 -14.531) 16.036 7.863 ( -13.769 1.379 -12.353) 18.549 9.227 ( 6.269 9.864 3.251) 12.131 9.344 ( 1.239 3.181 -3.690) 5.027 9.558 ( 6.509 -3.504 -0.399) 7.403 10.213 ( -3.174 -2.313 -5.330) 6.620 11.254 ( -0.359 6.284 -5.533) 8.380 11.417 ( -12.850 -4.701 -1.100) 13.727 12.810 ( 5.242 1.762 20.128) 20.873 13.295 ( 11.501 2.869 -4.568) 12.703 13.578 ( -1.214 -3.465 9.690) 10.362 14.286 ( 2.893 -5.687 -1.949) 6.671 14.981 ( -6.396 3.248 -8.901) 11.432 15.020 ( 0.188 -2.582 -11.183) 11.479 17.148 ( -15.567 5.886 14.170) 21.858 17.518 ( 0.087 -10.136 -20.545) 22.909 18.627 ( 20.165 -0.452 -4.058) 20.574 19.102 ( -1.412 -1.297 -1.772) 2.611 21.043 ( 0.514 3.258 3.050) 4.492 21.227 ( -10.144 -3.086 12.973) 16.755 23.513 ( 13.081 1.116 -0.775) 13.151 23.939 ( -2.232 0.700 -2.266) 3.257 ======================= Grid point 459 (231/260) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 0.928 0.000 -12.210) 12.246 2.449 ( -0.928 0.000 12.210) 12.246 2.822 ( -3.514 0.000 -14.347) 14.771 2.822 ( 3.514 0.000 14.347) 14.771 3.502 ( 2.586 0.000 -1.569) 3.025 3.502 ( -2.586 0.000 1.569) 3.025 4.980 ( 7.254 0.000 -2.780) 7.768 4.980 ( -7.254 0.000 2.780) 7.768 5.226 ( -1.106 0.000 -16.929) 16.966 5.226 ( 1.106 0.000 16.929) 16.966 6.642 ( 8.685 0.000 -10.696) 13.778 6.642 ( -8.685 0.000 10.696) 13.778 7.054 ( 9.139 0.000 -7.134) 11.593 7.054 ( -9.139 0.000 7.134) 11.593 7.178 ( 4.535 0.000 -5.329) 6.997 7.178 ( -4.535 0.000 5.329) 6.997 8.603 ( -5.627 0.000 -1.975) 5.963 8.603 ( 5.627 0.000 1.975) 5.963 10.255 ( -0.095 0.000 -10.612) 10.612 10.255 ( 0.095 0.000 10.612) 10.612 10.919 ( -10.188 0.000 -11.774) 15.570 10.919 ( 10.188 0.000 11.774) 15.570 12.977 ( 10.175 0.000 -9.739) 14.085 12.977 ( -10.175 0.000 9.739) 14.085 14.207 ( -9.175 0.000 -4.216) 10.097 14.207 ( 9.175 0.000 4.216) 10.097 15.298 ( -7.024 0.000 -4.556) 8.372 15.298 ( 7.024 0.000 4.556) 8.372 17.302 ( -21.778 0.000 -0.399) 21.781 17.302 ( 21.778 0.000 0.399) 21.781 19.260 ( 5.116 0.000 -4.362) 6.723 19.260 ( -5.116 0.000 4.362) 6.723 21.308 ( -33.357 0.000 9.685) 34.735 21.308 ( 33.357 0.000 -9.685) 34.735 23.533 ( -8.694 0.000 -10.669) 13.763 23.533 ( 8.694 0.000 10.669) 13.763 ======================= Grid point 461 (232/260) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 3.796 0.000 13.623) 14.142 2.493 ( 2.091 0.000 0.765) 2.226 2.733 ( -3.680 0.000 -17.717) 18.095 2.915 ( 6.560 0.000 0.574) 6.585 3.371 ( -8.684 0.000 0.556) 8.702 3.438 ( -8.159 0.000 -4.926) 9.531 4.948 ( 3.316 0.000 0.932) 3.444 5.124 ( 1.643 0.000 -11.384) 11.502 5.197 ( -0.011 0.000 -18.631) 18.631 5.315 ( 10.083 0.000 17.502) 20.198 6.496 ( -4.835 0.000 11.417) 12.398 6.781 ( 3.207 0.000 -4.413) 5.455 6.848 ( -9.818 0.000 8.632) 13.073 7.126 ( -0.164 0.000 -1.988) 1.995 7.237 ( 6.947 0.000 7.143) 9.964 7.392 ( 16.844 0.000 -3.247) 17.154 8.455 ( -8.094 0.000 -3.813) 8.947 8.673 ( 0.809 0.000 0.564) 0.987 10.138 ( -11.159 0.000 6.196) 12.763 10.167 ( -6.597 0.000 -11.532) 13.286 10.857 ( 3.995 0.000 -10.328) 11.074 11.241 ( 18.978 0.000 9.556) 21.248 12.772 ( -9.649 0.000 10.060) 13.939 13.163 ( 7.762 0.000 -9.342) 12.145 13.970 ( -13.002 0.000 -6.470) 14.523 14.315 ( -0.237 0.000 3.538) 3.545 15.123 ( -8.270 0.000 -4.536) 9.432 15.383 ( 0.840 0.000 7.881) 7.926 16.857 ( -19.589 0.000 9.459) 21.753 17.688 ( 14.587 0.000 7.178) 16.258 19.198 ( -2.791 0.000 5.457) 6.129 19.388 ( 6.053 0.000 -2.408) 6.514 20.631 ( -29.062 0.000 4.162) 29.358 21.914 ( 24.374 0.000 -17.659) 30.098 23.337 ( -9.121 0.000 -11.323) 14.540 23.694 ( 6.311 0.000 8.041) 10.222 ======================= Grid point 462 (233/260) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -4.681 0.000 -17.672) 18.281 2.496 ( -1.778 0.000 11.335) 11.474 2.766 ( 6.719 0.000 10.458) 12.430 3.072 ( 0.490 0.000 -11.164) 11.175 3.242 ( 4.644 0.000 1.205) 4.798 3.246 ( -6.728 0.000 -8.674) 10.978 4.969 ( -3.346 0.000 -1.142) 3.535 5.056 ( -6.314 0.000 -5.913) 8.651 5.317 ( 13.050 0.000 -14.000) 19.140 5.579 ( 12.584 0.000 5.251) 13.636 6.472 ( 2.219 0.000 7.986) 8.289 6.610 ( -11.226 0.000 11.971) 16.411 6.833 ( 0.325 0.000 -2.205) 2.229 7.105 ( -2.668 0.000 -2.177) 3.444 7.368 ( 5.124 0.000 12.418) 13.434 7.841 ( 25.381 0.000 -0.590) 25.387 8.298 ( -5.727 0.000 -4.931) 7.558 8.628 ( -5.323 0.000 -0.273) 5.330 9.855 ( -15.586 0.000 3.633) 16.004 10.000 ( -8.693 0.000 -11.478) 14.398 11.015 ( 10.839 0.000 -9.963) 14.723 11.670 ( 21.549 0.000 7.506) 22.819 12.602 ( -7.106 0.000 10.298) 12.512 13.266 ( 1.987 0.000 -8.628) 8.854 13.685 ( -13.646 0.000 -8.937) 16.312 14.162 ( -14.352 0.000 3.394) 14.747 15.002 ( -2.895 0.000 -4.906) 5.696 15.361 ( -2.545 0.000 12.926) 13.174 16.566 ( -8.312 0.000 14.498) 16.712 17.930 ( 9.644 0.000 6.065) 11.393 18.970 ( -22.642 0.000 -0.451) 22.646 19.459 ( 0.016 0.000 -0.163) 0.164 20.306 ( -0.090 0.000 10.714) 10.715 22.233 ( 5.786 0.000 -25.189) 25.845 23.204 ( -1.361 0.000 -8.244) 8.356 23.798 ( 3.424 0.000 5.178) 6.208 ======================= Grid point 463 (234/260) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -3.438 0.000 -25.198) 25.432 2.460 ( -1.556 0.000 11.152) 11.260 2.785 ( -6.084 0.000 5.546) 8.232 2.898 ( -11.035 0.000 -1.812) 11.182 3.338 ( 15.822 0.000 0.077) 15.822 3.561 ( 19.605 0.000 -6.987) 20.813 4.849 ( -7.597 0.000 -2.220) 7.914 4.872 ( -11.189 0.000 -5.949) 12.672 5.637 ( 16.969 0.000 -6.118) 18.038 5.805 ( 9.076 0.000 1.941) 9.282 6.398 ( -9.389 0.000 10.234) 13.888 6.582 ( 7.165 0.000 2.869) 7.718 6.822 ( -0.897 0.000 0.034) 0.898 6.985 ( -8.966 0.000 -1.850) 9.155 7.453 ( 2.865 0.000 9.437) 9.863 8.268 ( 3.885 0.000 -1.701) 4.241 8.361 ( 15.248 0.000 2.750) 15.494 8.478 ( -0.613 0.000 -0.707) 0.936 9.514 ( -17.222 0.000 2.578) 17.414 9.806 ( -9.548 0.000 -10.482) 14.179 11.280 ( 15.180 0.000 -10.568) 18.497 12.115 ( 20.595 0.000 7.478) 21.911 12.482 ( -5.431 0.000 10.024) 11.400 13.215 ( -6.559 0.000 -5.797) 8.754 13.436 ( -9.212 0.000 -11.546) 14.771 13.785 ( -20.557 0.000 2.002) 20.655 14.989 ( 1.774 0.000 -4.189) 4.549 15.318 ( -1.995 0.000 16.134) 16.257 16.526 ( 3.265 0.000 13.463) 13.853 18.085 ( -1.016 0.000 -0.416) 1.098 18.401 ( -21.705 0.000 -4.405) 22.148 19.369 ( -8.748 0.000 1.694) 8.910 20.522 ( 16.496 0.000 19.751) 25.734 22.129 ( -12.466 0.000 -27.984) 30.635 23.296 ( 8.959 0.000 -5.900) 10.727 23.836 ( 0.003 0.000 3.190) 3.190 ======================= Grid point 464 (235/260) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 2.269 0.000 -20.964) 21.087 2.456 ( 0.805 0.000 7.912) 7.953 2.640 ( -6.617 0.000 -1.716) 6.836 2.669 ( -10.624 0.000 4.782) 11.651 3.748 ( 21.532 0.000 4.500) 21.997 3.969 ( 19.226 0.000 -5.881) 20.105 4.590 ( -15.710 0.000 -6.814) 17.124 4.652 ( -11.612 0.000 1.435) 11.701 5.966 ( 6.790 0.000 0.547) 6.812 5.983 ( 16.175 0.000 0.035) 16.175 6.238 ( -6.327 0.000 4.230) 7.611 6.630 ( -8.958 0.000 0.436) 8.969 6.813 ( 0.239 0.000 1.824) 1.840 6.827 ( -0.804 0.000 -2.778) 2.892 7.547 ( 7.702 0.000 2.691) 8.158 8.143 ( -16.204 0.000 0.680) 16.219 8.448 ( 12.552 0.000 2.488) 12.796 8.883 ( 16.340 0.000 2.889) 16.593 9.175 ( -12.517 0.000 1.496) 12.606 9.593 ( -10.974 0.000 -8.431) 13.839 11.633 ( 19.237 0.000 -10.536) 21.933 12.332 ( -9.742 0.000 15.172) 18.031 12.522 ( 16.967 0.000 2.674) 17.177 13.041 ( -8.933 0.000 -3.235) 9.501 13.275 ( -6.332 0.000 -11.591) 13.207 13.390 ( -15.643 0.000 1.859) 15.753 15.070 ( 5.921 0.000 -6.630) 8.890 15.281 ( -2.860 0.000 15.653) 15.912 16.693 ( 12.224 0.000 11.056) 16.483 17.596 ( -29.923 0.000 -8.861) 31.208 18.467 ( 13.447 0.000 -1.342) 13.514 19.116 ( -15.089 0.000 2.753) 15.338 20.920 ( 20.149 0.000 24.092) 31.407 21.780 ( -18.853 0.000 -27.399) 33.259 23.500 ( 9.993 0.000 -4.689) 11.038 23.798 ( -3.828 0.000 2.589) 4.622 ======================= Grid point 465 (236/260) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 5.548 0.000 -10.707) 12.060 2.449 ( -5.548 0.000 10.707) 12.060 2.538 ( -1.707 0.000 -7.213) 7.412 2.538 ( 1.707 0.000 7.213) 7.412 4.169 ( -15.453 0.000 -2.609) 15.672 4.169 ( 15.453 0.000 2.609) 15.672 4.382 ( 11.659 0.000 -7.723) 13.985 4.382 ( -11.659 0.000 7.723) 13.985 6.095 ( 5.590 0.000 -2.814) 6.258 6.095 ( -5.590 0.000 2.814) 6.258 6.338 ( -15.684 0.000 0.854) 15.707 6.338 ( 15.684 0.000 -0.854) 15.707 6.831 ( -0.780 0.000 -2.827) 2.932 6.831 ( 0.780 0.000 2.827) 2.932 7.800 ( -15.791 0.000 0.359) 15.795 7.800 ( 15.791 0.000 -0.359) 15.795 8.751 ( -15.757 0.000 -2.241) 15.915 8.751 ( 15.757 0.000 2.241) 15.915 9.330 ( -14.397 0.000 -6.081) 15.628 9.330 ( 14.397 0.000 6.081) 15.628 12.034 ( 18.742 0.000 -11.457) 21.967 12.034 ( -18.742 0.000 11.457) 21.967 12.831 ( -12.258 0.000 -4.028) 12.903 12.831 ( 12.258 0.000 4.028) 12.903 13.207 ( 1.946 0.000 -6.450) 6.737 13.207 ( -1.946 0.000 6.450) 6.737 15.197 ( 5.882 0.000 -11.735) 13.127 15.197 ( -5.882 0.000 11.735) 13.127 17.047 ( -21.852 0.000 -9.838) 23.964 17.047 ( 21.852 0.000 9.838) 23.964 18.783 ( -16.469 0.000 2.744) 16.696 18.783 ( 16.469 0.000 -2.744) 16.696 21.356 ( -20.596 0.000 -26.212) 33.336 21.356 ( 20.596 0.000 26.212) 33.336 23.682 ( 7.491 0.000 -3.291) 8.182 23.682 ( -7.491 0.000 3.291) 8.182 ======================= Grid point 471 (237/260) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.195 4.693 -14.016) 14.782 2.499 ( -0.195 4.693 14.016) 14.782 2.899 ( -2.144 7.520 -13.982) 16.019 2.899 ( 2.144 7.519 13.982) 16.019 3.543 ( 4.344 4.570 -5.370) 8.282 3.543 ( -4.344 4.570 5.370) 8.282 4.965 ( 6.921 -1.724 -6.634) 9.741 4.965 ( -6.922 -1.724 6.634) 9.741 5.255 ( -0.887 3.112 -19.203) 19.474 5.255 ( 0.887 3.112 19.203) 19.474 6.600 ( 7.124 -4.182 -9.521) 12.605 6.600 ( -7.124 -4.182 9.521) 12.605 7.059 ( 7.274 -0.279 -10.044) 12.405 7.059 ( -7.274 -0.279 10.044) 12.405 7.200 ( -0.063 2.689 -7.676) 8.134 7.200 ( 0.063 2.689 7.676) 8.134 8.647 ( -5.695 4.748 -1.767) 7.623 8.647 ( 5.695 4.748 1.767) 7.623 10.232 ( -0.807 -2.407 -10.870) 11.162 10.232 ( 0.807 -2.407 10.870) 11.162 10.965 ( -8.744 4.523 -11.616) 15.227 10.965 ( 8.744 4.523 11.616) 15.227 13.000 ( 7.270 2.355 -11.312) 13.651 13.000 ( -7.270 2.355 11.312) 13.651 14.218 ( -10.305 0.884 -6.147) 12.032 14.218 ( 10.305 0.884 6.147) 12.032 15.201 ( -7.239 -9.374 -5.537) 13.074 15.201 ( 7.239 -9.374 5.537) 13.074 17.308 ( -18.740 0.277 -1.959) 18.844 17.308 ( 18.740 0.277 1.959) 18.844 19.219 ( -0.106 -4.106 -3.770) 5.575 19.219 ( 0.106 -4.106 3.770) 5.575 21.274 ( -25.917 -3.068 6.422) 26.876 21.274 ( 25.917 -3.068 -6.422) 26.876 23.576 ( -8.452 4.029 -8.860) 12.891 23.576 ( 8.452 4.029 8.860) 12.891 ======================= Grid point 473 (238/260) ======================= q-point: ( 0.10 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 1.326 3.495 -5.407) 6.573 2.548 ( 4.589 5.107 12.480) 14.244 2.795 ( -5.802 6.390 -9.871) 13.112 2.991 ( 6.112 6.847 0.439) 9.189 3.374 ( -10.150 1.216 2.656) 10.562 3.515 ( -7.130 7.636 -7.447) 12.830 4.922 ( 2.992 -2.471 3.840) 5.460 5.069 ( -0.557 -4.597 -11.788) 12.665 5.260 ( 2.205 5.290 -18.426) 19.296 5.358 ( 10.378 4.377 16.961) 20.360 6.454 ( -5.491 -3.869 9.924) 11.983 6.692 ( -1.826 -8.756 0.590) 8.964 6.862 ( -6.376 1.979 4.102) 7.836 7.092 ( -0.019 -3.445 -1.196) 3.647 7.329 ( 8.317 7.889 6.251) 13.057 7.422 ( 17.557 2.633 -5.470) 18.577 8.499 ( -7.710 5.146 -2.063) 9.497 8.728 ( 1.452 5.412 0.402) 5.618 10.124 ( -8.839 -2.724 -5.025) 10.526 10.147 ( -7.948 -0.842 0.600) 8.015 10.887 ( 2.659 3.052 -7.650) 8.655 11.283 ( 18.737 4.107 7.469) 20.585 12.811 ( -9.214 4.014 9.290) 13.686 13.150 ( 5.438 -1.177 -10.446) 11.835 13.960 ( -13.543 -1.078 -7.289) 15.418 14.359 ( 1.757 3.927 6.093) 7.459 15.033 ( -6.780 -7.811 -4.931) 11.458 15.322 ( 3.026 -6.732 7.103) 10.243 16.841 ( -20.596 -1.346 10.551) 23.180 17.716 ( 15.450 2.420 7.389) 17.296 19.174 ( -0.303 -3.472 3.260) 4.772 19.260 ( -2.117 -11.045 -2.390) 11.497 20.687 ( -23.256 5.403 3.739) 24.167 21.849 ( 23.930 -6.321 -15.930) 29.434 23.371 ( -9.926 3.252 -9.142) 13.881 23.732 ( 5.926 3.660 5.810) 9.070 ======================= Grid point 474 (239/260) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -1.774 3.858 -3.692) 5.627 2.607 ( -4.709 9.550 -4.499) 11.559 2.739 ( 5.058 -1.649 6.408) 8.329 3.120 ( -4.750 4.108 -1.978) 6.584 3.226 ( 6.237 -1.394 -1.479) 6.559 3.328 ( -6.416 7.717 -8.602) 13.218 4.928 ( -5.328 -3.801 -2.152) 6.890 5.021 ( -3.456 -4.337 -4.592) 7.200 5.374 ( 11.730 5.855 -11.148) 17.209 5.624 ( 12.551 4.560 5.675) 14.509 6.401 ( -0.893 -6.639 7.595) 10.127 6.528 ( -8.759 -7.126 7.567) 13.592 6.835 ( 0.185 0.264 -1.561) 1.594 7.105 ( 0.577 -0.586 1.769) 1.951 7.470 ( 4.299 9.241 9.706) 14.074 7.849 ( 22.265 0.576 -5.480) 22.937 8.367 ( -3.241 7.481 -0.023) 8.153 8.692 ( -5.070 6.079 -0.885) 7.965 9.875 ( -14.230 1.516 3.130) 14.649 9.973 ( -8.409 -2.282 -9.918) 13.202 11.017 ( 9.397 0.260 -6.990) 11.715 11.705 ( 21.056 3.232 6.424) 22.250 12.644 ( -7.127 4.381 8.221) 11.729 13.189 ( -1.872 -6.805 -9.634) 11.943 13.681 ( -12.400 -0.245 -8.861) 15.242 14.271 ( -9.976 9.252 5.433) 14.651 14.944 ( -2.091 -4.555 -4.714) 6.881 15.333 ( -1.721 -3.589 10.902) 11.606 16.532 ( -8.912 -3.132 14.614) 17.401 17.965 ( 9.503 3.359 7.690) 12.678 18.921 ( -24.684 -6.230 -1.758) 25.518 19.293 ( 4.206 -13.364 0.654) 14.025 20.436 ( -1.032 11.312 8.803) 14.370 22.180 ( 7.211 -5.317 -24.042) 25.658 23.212 ( -3.142 0.812 -6.123) 6.930 23.824 ( 2.734 2.471 3.395) 5.010 ======================= Grid point 475 (240/260) ======================= q-point: ( 0.30 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -3.700 6.915 -23.652) 24.918 2.502 ( -2.300 4.475 9.795) 11.012 2.767 ( -5.493 -0.661 2.680) 6.147 2.928 ( -9.857 2.815 0.905) 10.291 3.337 ( 12.011 -0.509 0.496) 12.032 3.548 ( 17.585 -1.454 -6.607) 18.842 4.762 ( -10.130 -6.943 -5.625) 13.508 4.871 ( -10.328 -3.001 -1.065) 10.808 5.684 ( 16.456 4.925 -4.946) 17.875 5.850 ( 9.327 4.668 3.571) 11.024 6.283 ( -8.022 -9.553 8.116) 14.882 6.544 ( 7.246 -3.388 0.544) 8.018 6.815 ( -2.601 -0.117 -1.972) 3.266 7.084 ( -3.453 7.346 2.918) 8.626 7.507 ( 0.083 5.023 7.440) 8.977 8.220 ( 12.002 -2.121 -6.145) 13.650 8.442 ( 0.845 6.839 4.783) 8.388 8.572 ( 4.813 8.120 0.811) 9.474 9.560 ( -16.095 4.375 3.327) 17.008 9.794 ( -8.608 -1.015 -10.151) 13.348 11.257 ( 14.117 -2.260 -7.374) 16.086 12.130 ( 18.978 1.067 7.659) 20.493 12.520 ( -5.778 3.890 7.081) 9.932 13.063 ( -9.075 -11.456 -7.920) 16.623 13.464 ( -7.923 3.217 -9.671) 12.909 14.001 ( -15.131 17.438 2.427) 23.215 14.924 ( 0.620 -5.551 -2.070) 5.957 15.293 ( -2.390 -3.298 12.334) 12.989 16.489 ( 3.584 -3.659 12.768) 13.757 18.102 ( -5.549 1.239 1.155) 5.802 18.371 ( -15.905 -2.763 -2.993) 16.418 19.305 ( -4.273 -5.925 1.806) 7.525 20.582 ( 12.770 5.894 17.574) 22.509 22.103 ( -11.796 -2.774 -28.218) 30.710 23.276 ( 8.318 -1.910 -3.188) 9.110 23.847 ( -0.677 1.017 1.719) 2.109 ======================= Grid point 476 (241/260) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -0.147 3.985 -14.295) 14.841 2.508 ( 1.660 5.189 0.737) 5.498 2.607 ( -7.856 -0.721 1.095) 7.965 2.739 ( -8.239 4.734 3.002) 9.965 3.693 ( 19.932 -5.362 3.793) 20.986 3.920 ( 17.939 -5.227 -5.572) 19.498 4.499 ( -15.035 -8.507 -7.103) 18.678 4.616 ( -14.016 -5.058 3.457) 15.296 5.950 ( 7.600 0.888 -0.757) 7.689 6.073 ( 11.664 5.701 5.071) 13.938 6.165 ( -1.515 -4.439 0.562) 4.724 6.688 ( -8.507 4.263 -0.131) 9.516 6.715 ( 6.164 -3.897 -0.877) 7.345 6.975 ( -5.982 9.012 -0.608) 10.834 7.572 ( 7.631 2.203 3.906) 8.851 8.173 ( -16.127 3.246 0.119) 16.451 8.491 ( 13.710 4.006 -1.580) 14.370 8.912 ( 14.014 3.180 5.033) 15.226 9.242 ( -11.874 6.506 3.371) 13.953 9.598 ( -10.231 0.772 -8.964) 13.625 11.596 ( 18.902 -3.629 -7.408) 20.624 12.336 ( -10.468 0.294 13.068) 16.746 12.492 ( 11.751 -3.272 3.805) 12.777 12.862 ( -8.774 -11.250 -8.822) 16.774 13.360 ( -0.891 10.408 -6.641) 12.379 13.690 ( -14.156 21.763 0.644) 25.970 14.985 ( 5.390 -7.866 -2.474) 9.851 15.235 ( -4.205 -5.127 10.130) 12.107 16.669 ( 13.018 -2.580 9.867) 16.538 17.578 ( -29.379 -2.020 -6.428) 30.142 18.501 ( 13.902 3.506 -0.169) 14.339 19.121 ( -12.859 0.475 1.979) 13.019 20.924 ( 18.471 0.505 23.233) 29.685 21.759 ( -18.777 -2.199 -27.823) 33.638 23.479 ( 10.219 -2.055 -2.305) 10.676 23.796 ( -4.353 -0.254 1.073) 4.491 ======================= Grid point 477 (242/260) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 4.644 1.084 -4.702) 6.697 2.448 ( -4.644 1.084 4.702) 6.697 2.599 ( -1.493 5.228 -1.728) 5.705 2.599 ( 1.493 5.228 1.728) 5.705 4.097 ( -13.096 -7.354 -5.519) 16.001 4.097 ( 13.096 -7.354 5.519) 16.001 4.314 ( 9.149 -7.104 -8.701) 14.487 4.314 ( -9.149 -7.104 8.701) 14.487 6.060 ( -0.729 -2.011 -0.320) 2.163 6.060 ( 0.729 -2.011 0.320) 2.163 6.415 ( -12.988 6.519 -2.075) 14.680 6.415 ( 12.988 6.519 2.075) 14.680 6.853 ( -5.747 2.260 -2.785) 6.774 6.853 ( 5.747 2.260 2.785) 6.774 7.828 ( -15.158 2.816 -1.919) 15.536 7.828 ( 15.158 2.816 1.919) 15.536 8.803 ( -11.647 4.909 -2.263) 12.840 8.803 ( 11.647 4.909 2.263) 12.840 9.352 ( -11.962 2.538 -9.078) 15.229 9.352 ( 11.962 2.538 9.078) 15.229 12.005 ( 7.495 -3.144 -7.534) 11.082 12.005 ( -7.495 -3.144 7.534) 11.082 12.699 ( -6.481 -8.535 -10.435) 14.957 12.699 ( 6.481 -8.535 10.435) 14.957 13.445 ( -2.160 19.246 -2.277) 19.500 13.445 ( 2.160 19.246 2.277) 19.500 15.120 ( 2.528 -7.543 -12.265) 14.619 15.120 ( -2.528 -7.543 12.265) 14.619 17.035 ( -21.728 -1.494 -8.246) 23.288 17.035 ( 21.728 -1.494 8.246) 23.288 18.815 ( -15.346 3.354 1.354) 15.767 18.815 ( 15.346 3.354 -1.354) 15.767 21.339 ( -20.005 -1.696 -26.423) 33.185 21.339 ( 20.005 -1.696 26.423) 33.185 23.669 ( -2.394 -1.272 -3.082) 4.105 23.669 ( 2.394 -1.272 3.082) 4.105 ======================= Grid point 483 (243/260) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( -0.924 5.954 -13.042) 14.367 2.606 ( 0.924 5.954 13.042) 14.367 3.066 ( -2.363 8.572 -14.881) 17.336 3.066 ( 2.363 8.572 14.881) 17.336 3.695 ( 8.875 11.637 -8.322) 16.836 3.695 ( -8.875 11.637 8.322) 16.836 4.910 ( 4.409 -4.115 -12.794) 14.144 4.910 ( -4.409 -4.115 12.794) 14.144 5.346 ( -0.302 6.345 -21.154) 22.088 5.346 ( 0.302 6.345 21.154) 22.088 6.482 ( 3.785 -8.291 -7.147) 11.582 6.482 ( -3.785 -8.291 7.147) 11.582 7.042 ( 4.325 -0.910 -10.728) 11.603 7.042 ( -4.325 -0.910 10.728) 11.603 7.264 ( -4.116 3.071 -8.046) 9.545 7.264 ( 4.116 3.071 8.046) 9.545 8.792 ( -4.144 10.468 -0.695) 11.280 8.792 ( 4.144 10.468 0.695) 11.280 10.163 ( -2.677 -4.777 -11.297) 12.554 10.163 ( 2.677 -4.777 11.297) 12.554 11.073 ( -5.277 6.173 -10.591) 13.346 11.073 ( 5.277 6.173 10.591) 13.346 13.063 ( 4.571 4.037 -14.049) 15.316 13.063 ( -4.571 4.037 14.049) 15.316 14.220 ( -12.023 -1.601 -12.335) 17.300 14.220 ( 12.023 -1.601 12.335) 17.300 14.992 ( -5.235 -10.582 -9.421) 15.104 14.992 ( 5.235 -10.582 9.421) 15.104 17.300 ( -5.820 -1.272 -8.727) 10.567 17.300 ( 5.820 -1.272 8.727) 10.567 19.117 ( -7.044 -6.064 -2.339) 9.585 19.117 ( 7.044 -6.064 2.339) 9.585 21.213 ( -18.670 -2.850 3.753) 19.256 21.213 ( 18.670 -2.850 -3.753) 19.256 23.665 ( -8.272 4.684 -5.366) 10.916 23.665 ( 8.272 4.684 5.366) 10.916 ======================= Grid point 485 (244/260) ======================= q-point: ( 0.10 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 1.398 4.102 -9.946) 10.849 2.664 ( 3.677 6.941 11.023) 13.535 2.962 ( -6.109 9.805 -9.783) 15.138 3.128 ( 2.877 6.851 5.072) 8.996 3.446 ( -13.099 7.137 5.589) 15.930 3.724 ( -6.772 13.732 -8.469) 17.498 4.858 ( 2.268 -4.637 6.113) 8.001 4.953 ( -3.335 -7.413 -9.247) 12.312 5.386 ( 3.895 7.812 -14.103) 16.586 5.474 ( 11.457 7.528 12.779) 18.741 6.368 ( -5.859 -4.987 8.702) 11.615 6.487 ( -3.968 -11.935 1.223) 12.637 6.909 ( -6.736 2.461 0.917) 7.229 7.002 ( 0.065 -5.610 -0.283) 5.618 7.454 ( 15.736 1.832 0.018) 15.842 7.496 ( 13.881 7.105 -4.581) 16.253 8.662 ( -6.608 11.550 2.557) 13.550 8.872 ( 1.669 9.588 -0.039) 9.732 10.032 ( -8.434 -6.440 -10.875) 15.194 10.135 ( -5.411 -0.872 8.089) 9.771 10.965 ( -0.245 4.848 -1.909) 5.216 11.376 ( 17.724 4.848 2.945) 18.610 12.918 ( -7.948 6.824 8.269) 13.346 13.129 ( 0.530 -0.711 -12.852) 12.882 13.925 ( -13.748 -2.683 -9.137) 16.724 14.414 ( 3.854 -0.096 11.915) 12.523 14.908 ( -0.785 -3.112 -9.115) 9.664 15.130 ( 5.788 -12.505 7.821) 15.845 16.820 ( -21.686 -0.515 14.190) 25.921 17.748 ( 18.156 0.082 5.730) 19.039 18.938 ( -8.834 -16.223 -4.713) 19.064 19.163 ( -3.275 -2.109 2.073) 4.413 20.816 ( -13.547 7.473 2.830) 15.728 21.698 ( 22.185 -8.669 -12.548) 26.922 23.443 ( -11.561 3.804 -5.656) 13.421 23.813 ( 5.070 4.192 2.414) 7.008 ======================= Grid point 486 (245/260) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -0.405 5.201 -8.585) 10.046 2.733 ( -1.093 2.822 3.667) 4.754 2.846 ( -1.280 13.847 -1.936) 14.040 3.186 ( -6.311 0.242 -1.433) 6.476 3.234 ( 1.314 5.501 2.507) 6.186 3.499 ( -10.518 9.483 -5.710) 15.269 4.808 ( -9.288 -10.019 -7.496) 15.583 4.895 ( -2.451 -7.993 3.328) 8.998 5.529 ( 11.627 10.075 -6.379) 16.655 5.744 ( 12.635 7.630 6.534) 16.142 6.256 ( -6.831 -7.441 7.630) 12.659 6.393 ( -1.236 -6.327 0.658) 6.480 6.827 ( -1.287 -1.528 -4.057) 4.522 7.076 ( 5.618 -2.249 6.392) 8.802 7.659 ( 3.934 9.038 7.780) 12.557 7.863 ( 18.997 1.390 -14.176) 23.744 8.569 ( -0.621 12.491 7.538) 14.602 8.836 ( -5.558 8.624 -1.833) 10.423 9.842 ( -9.212 -5.518 -6.973) 12.803 9.983 ( -8.717 3.642 2.925) 9.890 11.029 ( 5.935 1.142 -0.747) 6.089 11.766 ( 19.000 2.308 3.712) 19.496 12.762 ( -7.167 7.531 5.271) 11.656 13.061 ( -6.355 -5.274 -12.482) 14.967 13.680 ( -9.013 0.384 -8.563) 12.438 14.404 ( -3.578 2.115 8.473) 9.438 14.917 ( -0.063 3.632 -7.461) 8.298 15.204 ( 0.524 -9.889 9.406) 13.658 16.472 ( -11.330 -2.295 16.513) 20.157 18.038 ( 10.250 3.344 10.860) 15.303 18.675 ( -19.285 -18.204 -4.125) 26.839 19.108 ( 1.762 -4.918 -0.228) 5.229 20.671 ( -1.493 12.425 6.394) 14.053 22.044 ( 9.884 -8.469 -21.168) 24.849 23.231 ( -6.831 0.999 -2.976) 7.518 23.878 ( 1.282 2.802 0.707) 3.161 ======================= Grid point 487 (246/260) ======================= q-point: ( 0.30 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -3.381 4.212 -16.625) 17.480 2.632 ( -3.410 8.835 4.848) 10.639 2.834 ( -5.724 9.413 1.239) 11.086 3.001 ( -8.775 4.897 1.433) 10.150 3.307 ( 6.703 -2.393 -3.379) 7.878 3.505 ( 10.232 -3.045 -1.674) 10.806 4.577 ( -12.756 -12.834 -6.890) 19.362 4.734 ( -12.167 -11.309 4.554) 17.224 5.819 ( 13.940 8.750 -2.826) 16.700 5.978 ( 10.532 8.283 6.297) 14.805 6.116 ( -5.198 -6.625 4.251) 9.433 6.478 ( 8.072 -3.050 -2.862) 9.092 6.813 ( -0.818 -0.426 -3.816) 3.926 7.198 ( 4.454 4.073 8.036) 10.050 7.612 ( -6.515 5.176 4.160) 9.303 8.222 ( 16.414 2.249 -12.903) 20.999 8.599 ( -9.907 8.957 2.562) 13.599 8.742 ( 9.174 9.096 6.078) 14.277 9.630 ( -11.831 0.479 2.059) 12.018 9.809 ( -7.650 4.551 -5.594) 10.513 11.207 ( 11.524 -2.408 -0.197) 11.775 12.128 ( 15.109 -1.925 6.103) 16.408 12.609 ( -9.243 4.324 5.682) 11.680 12.887 ( -8.577 -5.321 -14.892) 17.990 13.561 ( -1.706 6.882 -7.372) 10.228 14.309 ( -6.304 11.611 4.123) 13.840 14.852 ( -4.894 0.518 -2.061) 5.335 15.176 ( -2.939 -8.829 7.901) 12.207 16.398 ( 3.353 -5.324 12.108) 13.645 18.077 ( -20.979 -5.588 2.889) 21.902 18.346 ( 4.775 1.827 2.504) 5.693 19.180 ( 2.207 -6.379 0.236) 6.754 20.727 ( 6.264 8.718 13.663) 17.376 22.025 ( -9.928 -5.173 -28.410) 30.536 23.230 ( 6.505 -2.760 1.822) 7.297 23.869 ( -2.160 1.085 -0.728) 2.524 ======================= Grid point 488 (247/260) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -2.202 5.600 -10.961) 12.505 2.633 ( 0.739 6.320 4.200) 7.625 2.657 ( -7.506 8.120 -3.247) 11.524 2.837 ( -7.050 5.598 2.023) 9.226 3.561 ( 15.806 -8.046 0.522) 17.744 3.771 ( 14.495 -9.970 -3.480) 17.934 4.278 ( -15.688 -14.384 -6.412) 22.229 4.438 ( -15.940 -13.509 6.845) 21.988 6.003 ( 4.503 4.359 1.203) 6.382 6.058 ( -0.589 -2.221 1.177) 2.582 6.257 ( 14.967 9.140 2.322) 17.690 6.652 ( 5.668 -2.188 -3.670) 7.098 6.776 ( -1.046 4.069 0.295) 4.211 7.143 ( -10.370 8.072 -0.127) 13.142 7.611 ( 8.806 1.439 7.020) 11.354 8.263 ( -17.064 5.823 -3.325) 18.334 8.576 ( 16.080 4.416 -9.716) 19.299 9.007 ( 9.723 6.623 9.188) 14.927 9.377 ( -9.970 5.715 8.598) 14.353 9.644 ( -8.636 4.976 -10.257) 14.302 11.511 ( 17.810 -4.540 0.022) 18.379 12.331 ( -17.574 -3.856 4.473) 18.540 12.389 ( 9.965 -4.057 8.438) 13.673 12.727 ( -6.699 -3.074 -14.575) 16.333 13.621 ( 7.629 15.566 -5.177) 18.091 14.115 ( -12.489 21.361 2.241) 24.845 14.816 ( 2.767 -8.660 0.595) 9.111 15.088 ( -6.028 -9.630 4.019) 12.051 16.593 ( 14.416 -5.258 7.124) 16.918 17.515 ( -27.985 -4.473 -0.957) 28.356 18.599 ( 14.831 6.616 2.647) 16.454 19.132 ( -7.159 0.553 0.193) 7.183 20.944 ( 13.813 1.742 21.137) 25.310 21.699 ( -18.372 -3.961 -28.873) 34.451 23.427 ( 10.744 -3.241 2.726) 11.548 23.788 ( -5.606 -0.571 -1.887) 5.942 ======================= Grid point 489 (248/260) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 3.078 5.721 -7.538) 9.951 2.512 ( -3.078 5.721 7.538) 9.951 2.713 ( 0.560 6.507 -10.965) 12.763 2.713 ( -0.560 6.507 10.965) 12.763 3.905 ( -8.358 -12.103 -9.167) 17.331 3.905 ( 8.358 -12.103 9.167) 17.331 4.112 ( 5.184 -13.785 -11.318) 18.574 4.112 ( -5.184 -13.785 11.318) 18.574 6.053 ( -0.545 1.338 -3.496) 3.783 6.053 ( 0.545 1.338 3.496) 3.783 6.545 ( -8.563 6.411 -4.946) 11.785 6.545 ( 8.563 6.411 4.946) 11.785 6.910 ( -10.196 3.374 -3.599) 11.327 6.910 ( 10.196 3.374 3.599) 11.327 7.897 ( -16.442 4.107 -5.933) 17.955 7.897 ( 16.442 4.107 5.933) 17.955 8.908 ( 5.759 5.254 -7.926) 11.117 8.908 ( -5.759 5.254 7.926) 11.117 9.436 ( -9.966 6.213 -12.843) 17.403 9.436 ( 9.966 6.213 12.843) 17.403 11.921 ( -18.302 -5.193 -0.562) 19.033 11.921 ( 18.302 -5.193 0.562) 19.033 12.575 ( -7.742 -4.441 -10.666) 13.907 12.575 ( 7.742 -4.441 10.666) 13.907 13.841 ( -11.174 20.876 2.402) 23.800 13.841 ( 11.174 20.876 -2.402) 23.800 14.939 ( -0.583 -10.406 -13.058) 16.708 14.939 ( 0.583 -10.406 13.058) 16.708 16.982 ( -21.414 -4.019 -4.450) 22.237 16.982 ( 21.414 -4.019 4.450) 22.237 18.906 ( -12.756 5.770 -1.611) 14.092 18.906 ( 12.756 5.770 1.611) 14.092 21.296 ( -18.075 -2.613 -27.045) 32.634 21.296 ( 18.075 -2.613 27.045) 32.634 23.636 ( -6.639 -2.070 -5.179) 8.671 23.636 ( 6.639 -2.070 5.179) 8.671 ======================= Grid point 495 (249/260) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -2.391 4.696 -9.035) 10.460 2.711 ( 2.391 4.696 9.035) 10.460 3.194 ( -3.291 4.649 -18.830) 19.673 3.194 ( 3.291 4.649 18.830) 19.673 3.972 ( 2.904 16.120 -8.147) 18.293 3.972 ( -2.904 16.120 8.147) 18.293 4.809 ( 0.215 -6.265 -16.266) 17.432 4.809 ( -0.215 -6.265 16.266) 17.432 5.497 ( 0.894 9.462 -17.796) 20.175 5.497 ( -0.894 9.462 17.796) 20.175 6.280 ( 0.204 -12.590 -3.249) 13.004 6.280 ( -0.204 -12.590 3.249) 13.004 7.038 ( 5.337 0.489 -10.869) 12.119 7.038 ( -5.337 0.489 10.869) 12.119 7.300 ( -9.318 0.681 -7.483) 11.970 7.300 ( 9.318 0.681 7.483) 11.970 9.032 ( 3.428 13.690 -4.176) 14.718 9.032 ( -3.428 13.690 4.176) 14.718 10.051 ( -5.571 -6.737 -11.088) 14.120 10.051 ( 5.571 -6.737 11.088) 14.120 11.182 ( -0.549 4.776 -8.317) 9.607 11.182 ( 0.549 4.776 8.317) 9.607 13.145 ( 2.455 4.258 -15.337) 16.105 13.145 ( -2.455 4.258 15.337) 16.105 14.130 ( -9.814 -7.435 -18.993) 22.635 14.130 ( 9.814 -7.435 18.993) 22.635 14.856 ( 0.833 -3.130 -12.776) 13.180 14.856 ( -0.833 -3.130 12.776) 13.180 17.261 ( 8.713 -2.539 -18.011) 20.169 17.261 ( -8.713 -2.539 18.011) 20.169 19.007 ( -11.614 -5.039 0.274) 12.663 19.007 ( 11.614 -5.039 -0.274) 12.663 21.174 ( -9.282 -1.177 1.450) 9.468 21.174 ( 9.282 -1.177 -1.450) 9.468 23.740 ( -8.759 3.032 -2.834) 9.693 23.740 ( 8.759 3.032 2.834) 9.693 ======================= Grid point 497 (250/260) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.946 1.896 -4.874) 5.315 2.798 ( 4.238 6.292 5.349) 9.282 3.107 ( -3.684 4.888 -18.533) 19.518 3.250 ( 1.205 5.407 14.248) 15.287 3.667 ( -16.389 15.463 3.777) 22.846 4.014 ( -8.438 15.908 -4.610) 18.588 4.702 ( -4.709 -11.679 -4.088) 13.239 4.816 ( -3.288 -7.072 3.817) 8.683 5.558 ( 6.419 10.193 -2.084) 12.224 5.642 ( 11.120 9.890 2.170) 15.039 6.234 ( -2.814 -11.062 6.248) 13.013 6.272 ( -1.730 -8.609 2.894) 9.246 6.886 ( -5.832 -4.908 -7.620) 10.778 6.960 ( -5.331 1.784 6.333) 8.468 7.455 ( 18.143 -1.104 -10.729) 21.107 7.616 ( 15.604 4.810 1.242) 16.376 8.904 ( -7.252 12.509 7.746) 16.404 9.092 ( 0.629 13.119 -1.275) 13.196 9.882 ( -9.340 -9.213 -10.615) 16.876 10.110 ( -0.222 -1.695 9.017) 9.178 11.061 ( -2.475 4.893 3.174) 6.335 11.445 ( 15.289 2.081 -1.492) 15.502 13.052 ( -6.438 6.447 9.872) 13.434 13.136 ( -2.992 1.611 -16.163) 16.516 13.866 ( -10.780 -2.810 -11.335) 15.893 14.321 ( 4.224 -8.862 10.101) 14.086 14.899 ( 3.400 -9.967 10.456) 14.840 14.932 ( 6.937 3.991 -8.873) 11.949 16.832 ( -19.909 1.967 20.754) 28.827 17.696 ( 19.661 -5.517 -2.310) 20.551 18.672 ( -17.370 -10.479 -1.421) 20.336 19.129 ( -0.589 -1.432 -0.588) 1.656 20.955 ( -6.254 6.653 2.044) 9.357 21.542 ( 19.215 -7.213 -9.844) 22.763 23.505 ( -12.971 2.468 -3.783) 13.735 23.879 ( 4.272 2.650 0.844) 5.098 ======================= Grid point 498 (251/260) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -0.266 -0.091 -4.944) 4.952 2.855 ( 0.233 6.981 0.566) 7.008 3.064 ( 1.203 6.640 -12.315) 14.043 3.240 ( -5.037 6.483 5.355) 9.802 3.379 ( -8.029 9.869 5.073) 13.697 3.708 ( -17.910 13.485 -2.136) 22.520 4.538 ( -10.946 -17.168 -5.528) 21.098 4.707 ( -8.832 -12.578 5.229) 16.234 5.747 ( 11.926 12.178 -1.662) 17.126 5.893 ( 11.582 7.139 4.685) 14.390 6.152 ( -5.277 -2.904 7.539) 9.650 6.284 ( 4.060 -5.432 -2.002) 7.071 6.770 ( -1.684 -4.260 -9.180) 10.260 7.033 ( 8.036 -1.975 9.509) 12.605 7.765 ( 7.118 1.935 1.656) 7.560 7.926 ( 16.383 4.766 -15.197) 22.848 8.793 ( -1.568 9.798 11.891) 15.487 9.024 ( -8.028 11.061 -2.602) 13.912 9.703 ( -6.806 -8.592 -6.815) 12.907 10.062 ( -4.492 3.892 6.595) 8.878 11.067 ( 2.715 2.839 4.279) 5.809 11.771 ( 15.241 -1.873 1.131) 15.397 12.900 ( -8.832 5.823 6.217) 12.270 13.017 ( -7.055 0.739 -17.593) 18.969 13.709 ( -3.555 3.139 -8.992) 10.165 14.355 ( 0.500 -5.550 4.776) 7.339 14.960 ( 1.819 -10.563 3.748) 11.355 15.065 ( 3.137 5.353 -1.678) 6.427 16.474 ( -14.856 2.786 22.310) 26.948 18.027 ( 10.423 -6.932 7.806) 14.752 18.374 ( -10.087 -9.088 -1.697) 13.683 19.058 ( -3.168 -1.280 -2.372) 4.160 20.889 ( -1.169 9.846 4.872) 11.047 21.880 ( 11.771 -7.985 -18.285) 23.166 23.246 ( -10.082 0.509 -1.475) 10.202 23.922 ( 0.022 1.733 -0.511) 1.806 ======================= Grid point 499 (252/260) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -1.878 1.689 -9.249) 9.588 2.826 ( -1.972 9.800 1.603) 10.124 3.040 ( -10.713 7.992 6.087) 14.687 3.128 ( 2.212 7.787 -12.368) 14.781 3.313 ( -6.496 7.234 -2.197) 9.968 3.438 ( 0.094 -3.481 3.764) 5.128 4.274 ( -14.011 -18.073 -2.927) 23.054 4.450 ( -15.347 -17.986 5.745) 24.331 5.996 ( 9.504 8.976 -0.144) 13.074 6.037 ( -1.069 -1.660 -0.165) 1.981 6.145 ( 10.434 8.068 7.233) 15.043 6.435 ( 9.745 -1.412 -3.539) 10.463 6.792 ( 2.697 -1.730 -5.982) 6.786 7.242 ( 10.869 0.849 11.007) 15.492 7.689 ( -11.532 2.721 3.060) 12.237 8.284 ( 18.023 3.450 -19.318) 26.644 8.761 ( -16.282 7.330 -5.295) 18.624 8.911 ( 11.199 8.428 13.936) 19.765 9.575 ( -6.772 -4.767 -0.213) 8.284 9.944 ( -6.757 7.363 2.122) 10.216 11.186 ( 8.919 0.575 6.297) 10.933 12.045 ( 10.697 -6.374 4.712) 13.314 12.670 ( -13.622 3.117 0.513) 13.984 12.857 ( -7.492 0.143 -15.956) 17.628 13.724 ( 5.436 9.751 -7.125) 13.243 14.391 ( 3.210 -0.765 2.071) 3.896 14.959 ( -4.296 -2.575 -7.401) 8.937 14.988 ( -8.601 0.270 10.335) 13.449 16.312 ( -0.048 -3.017 14.373) 14.686 17.913 ( -19.697 -9.713 4.163) 22.353 18.427 ( 12.994 5.326 8.426) 16.377 19.076 ( 4.123 -4.421 -3.217) 6.848 20.894 ( 1.543 8.140 10.963) 13.742 21.917 ( -7.720 -5.651 -28.270) 29.845 23.179 ( 4.299 -2.416 5.366) 7.288 23.885 ( -3.527 0.581 -2.163) 4.178 ======================= Grid point 500 (253/260) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 0.164 5.151 -11.058) 12.200 2.805 ( -0.259 10.996 3.323) 11.490 2.827 ( -9.634 7.206 8.473) 14.715 2.985 ( -8.668 11.663 -7.269) 16.248 3.402 ( 11.222 -8.063 -6.850) 15.423 3.565 ( 9.191 -10.704 1.568) 14.195 3.971 ( -14.862 -16.672 -0.452) 22.339 4.117 ( -16.332 -19.324 5.611) 25.916 6.043 ( 2.198 0.675 -0.024) 2.299 6.104 ( 1.986 5.129 1.555) 5.716 6.423 ( 13.752 7.546 0.757) 15.705 6.627 ( 7.421 -0.571 -3.412) 8.188 6.839 ( 2.225 2.456 0.228) 3.322 7.275 ( -13.811 5.591 0.664) 14.914 7.620 ( 12.488 -0.463 10.312) 16.202 8.376 ( -19.081 5.364 -8.113) 21.417 8.650 ( 17.180 3.194 -15.815) 23.568 9.149 ( 5.796 7.655 10.547) 14.263 9.423 ( -4.039 -0.382 9.517) 10.346 9.787 ( -8.701 8.339 -5.365) 13.191 11.448 ( 15.979 -1.575 7.873) 17.882 12.155 ( -5.985 -10.311 2.956) 12.284 12.418 ( -4.094 3.777 -1.270) 5.713 12.689 ( -8.210 -2.033 -11.281) 14.100 13.910 ( 12.213 13.531 -5.889) 19.155 14.448 ( -2.486 11.025 3.163) 11.736 14.708 ( -8.371 -0.508 -0.984) 8.443 14.895 ( -5.542 -9.820 2.868) 11.635 16.481 ( 14.943 -5.811 4.879) 16.759 17.418 ( -26.250 -5.087 4.171) 27.062 18.741 ( 15.449 7.715 5.926) 18.257 19.132 ( -0.476 -0.745 -1.867) 2.065 20.990 ( 7.849 2.880 19.272) 21.007 21.616 ( -17.532 -4.397 -30.395) 35.363 23.365 ( 11.286 -2.977 7.230) 13.730 23.776 ( -6.927 -0.668 -4.242) 8.150 ======================= Grid point 501 (254/260) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 5.812 7.995 -9.641) 13.808 2.652 ( -5.812 7.995 9.641) 13.808 2.854 ( -1.007 8.801 -15.898) 18.200 2.854 ( 1.007 8.801 15.898) 18.200 3.665 ( 0.640 -12.264 -9.841) 15.738 3.665 ( -0.640 -12.264 9.841) 15.738 3.807 ( -0.429 -17.261 -11.277) 20.623 3.807 ( 0.429 -17.261 11.277) 20.623 6.099 ( 0.267 2.906 -4.599) 5.447 6.099 ( -0.267 2.906 4.599) 5.447 6.647 ( -2.252 4.102 -8.122) 9.374 6.647 ( 2.252 4.102 8.122) 9.374 6.973 ( -11.729 3.017 -4.696) 12.990 6.973 ( 11.729 3.017 4.696) 12.990 7.971 ( -18.835 3.292 -9.557) 21.376 7.971 ( 18.835 3.292 9.557) 21.376 8.988 ( 13.769 3.106 -12.213) 18.665 8.988 ( -13.769 3.106 12.213) 18.665 9.572 ( -11.287 7.127 -11.205) 17.429 9.572 ( 11.287 7.127 11.205) 17.429 11.827 ( -19.031 -4.122 -6.785) 20.621 11.827 ( 19.031 -4.122 6.785) 20.621 12.515 ( -7.872 -2.180 -7.208) 10.894 12.515 ( 7.872 -2.180 7.208) 10.894 14.200 ( -0.821 15.612 -2.080) 15.771 14.200 ( 0.821 15.612 2.080) 15.771 14.757 ( -0.024 -7.830 -12.910) 15.099 14.757 ( 0.024 -7.830 12.910) 15.099 16.891 ( -21.472 -4.984 -0.304) 22.045 16.891 ( 21.472 -4.984 0.304) 22.045 19.019 ( -8.743 5.567 -4.543) 11.317 19.019 ( 8.743 5.567 4.543) 11.317 21.247 ( -14.999 -2.327 -27.964) 31.818 21.247 ( 14.999 -2.327 27.964) 31.818 23.596 ( -9.423 -1.952 -7.126) 11.974 23.596 ( 9.423 -1.952 7.126) 11.974 ======================= Grid point 507 (255/260) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -4.480 1.800 -4.125) 6.350 2.775 ( 4.480 1.800 4.125) 6.350 3.250 ( -3.780 1.405 -20.520) 20.913 3.250 ( 3.780 1.405 20.520) 20.913 4.244 ( -5.574 9.935 -6.862) 13.299 4.244 ( 5.574 9.935 6.862) 13.299 4.686 ( -2.142 -5.404 -18.443) 19.338 4.686 ( 2.142 -5.404 18.443) 19.338 5.699 ( 2.228 10.598 -9.700) 14.538 5.699 ( -2.228 10.598 9.700) 14.538 6.027 ( 2.320 -12.306 -2.710) 12.813 6.027 ( -2.320 -12.306 2.710) 12.813 7.050 ( 12.514 0.509 -10.478) 16.329 7.050 ( -12.514 0.509 10.478) 16.329 7.301 ( -16.597 -0.195 -5.045) 17.348 7.301 ( 16.597 -0.195 5.045) 17.348 9.260 ( 5.950 8.000 -8.260) 12.947 9.260 ( -5.950 8.000 8.260) 12.947 9.928 ( -9.550 -4.809 -9.707) 14.441 9.928 ( 9.550 -4.809 9.707) 14.441 11.246 ( 5.754 1.744 -6.608) 8.934 11.246 ( -5.754 1.744 6.608) 8.934 13.210 ( 1.406 2.092 -15.187) 15.394 13.210 ( -1.406 2.092 15.187) 15.394 13.995 ( -6.342 -4.706 -20.833) 22.279 13.995 ( 6.342 -4.706 20.833) 22.279 14.841 ( 5.730 0.279 -11.666) 13.000 14.841 ( -5.730 0.279 11.666) 13.000 17.220 ( 16.159 -1.339 -24.088) 29.037 17.220 ( -16.159 -1.339 24.088) 29.037 18.938 ( -13.889 -1.907 2.996) 14.336 18.938 ( 13.889 -1.907 -2.996) 14.336 21.163 ( 2.912 -0.201 -1.655) 3.356 21.163 ( -2.912 -0.201 1.655) 3.356 23.778 ( -9.148 0.976 -1.977) 9.410 23.778 ( 9.148 0.976 1.977) 9.410 ======================= Grid point 509 (256/260) ======================= q-point: ( 0.10 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -3.115 0.570 -2.783) 4.216 2.882 ( 4.545 2.247 1.198) 5.210 3.168 ( -2.703 1.663 -17.035) 17.328 3.318 ( 1.397 1.705 17.170) 17.310 3.975 ( -15.634 14.000 -4.807) 21.530 4.291 ( -5.704 9.055 3.986) 11.420 4.482 ( -13.292 -5.907 -5.745) 15.639 4.640 ( -7.802 -11.493 6.223) 15.221 5.766 ( 7.966 10.917 4.295) 14.180 5.839 ( 8.896 9.334 -6.465) 14.424 6.017 ( 2.934 -9.392 7.540) 12.396 6.096 ( 2.899 -10.333 3.897) 11.417 6.819 ( -8.176 -1.834 -6.337) 10.505 6.986 ( -8.521 0.745 4.553) 9.690 7.431 ( 19.398 -0.884 -14.806) 24.419 7.676 ( 17.587 1.525 2.615) 17.846 9.091 ( -10.058 5.723 11.687) 16.447 9.340 ( 1.609 11.065 -3.474) 11.708 9.692 ( -11.928 -9.335 -9.469) 17.863 10.080 ( 4.504 -1.065 8.688) 9.844 11.137 ( -2.995 2.428 5.794) 6.959 11.459 ( 12.393 -0.154 -4.043) 13.037 13.139 ( -5.905 2.470 10.662) 12.435 13.178 ( -3.856 1.728 -17.180) 17.692 13.848 ( -5.034 1.056 -16.615) 17.393 14.134 ( 5.104 -8.124 10.466) 14.198 14.778 ( -1.296 -2.790 12.632) 13.001 15.000 ( 9.186 2.129 -7.826) 12.254 16.882 ( -16.129 2.276 29.513) 33.710 17.580 ( 16.814 -4.668 -14.413) 22.632 18.547 ( -18.896 -2.943 3.567) 19.453 19.110 ( 1.097 -0.528 -2.349) 2.646 21.053 ( -2.370 3.009 1.819) 4.240 21.439 ( 16.690 -3.084 -8.685) 19.066 23.536 ( -13.725 0.794 -3.241) 14.125 23.912 ( 3.831 0.833 0.568) 3.962 ======================= Grid point 510 (257/260) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -0.429 -0.276 -2.645) 2.694 2.934 ( 0.332 1.507 -6.856) 7.028 3.152 ( 1.731 3.186 -5.655) 6.718 3.312 ( -2.513 0.677 9.228) 9.588 3.636 ( -15.999 13.830 -6.821) 22.221 4.025 ( -18.013 18.278 4.782) 26.104 4.206 ( -12.936 -14.486 2.023) 19.526 4.407 ( -14.654 -18.224 2.040) 23.473 5.960 ( 9.556 6.983 1.026) 11.880 5.999 ( 5.856 5.913 -2.377) 8.655 6.133 ( 1.541 -1.593 10.213) 10.451 6.177 ( 10.747 -4.590 1.817) 11.827 6.691 ( -1.256 -2.929 -14.104) 14.460 7.005 ( 7.778 -0.800 10.751) 13.293 7.776 ( 10.547 -0.005 -5.304) 11.806 7.998 ( 14.409 2.082 -11.840) 18.766 8.922 ( -4.086 3.459 13.189) 14.234 9.240 ( -12.867 10.193 -5.102) 17.189 9.526 ( -2.168 -8.941 -2.909) 9.649 10.115 ( -1.417 1.452 8.026) 8.279 11.124 ( 1.621 2.273 6.362) 6.947 11.720 ( 12.031 -2.304 0.321) 12.254 12.983 ( -9.409 3.229 3.285) 10.476 13.039 ( -8.623 0.005 -16.571) 18.681 13.801 ( 1.345 5.033 -11.851) 12.945 14.235 ( 5.228 -5.558 1.541) 7.784 14.776 ( 0.018 -5.774 11.011) 12.433 15.153 ( 4.391 2.355 -7.345) 8.876 16.551 ( -17.276 3.587 29.931) 34.745 17.840 ( 6.552 -7.579 -4.463) 10.968 18.317 ( -0.764 -0.101 6.955) 6.998 19.045 ( -4.709 -0.271 -3.568) 5.914 21.028 ( -0.842 4.066 4.434) 6.075 21.764 ( 12.624 -3.514 -16.889) 21.376 23.251 ( -11.879 0.100 -1.102) 11.930 23.944 ( -0.628 0.531 -0.706) 1.084 ======================= Grid point 511 (258/260) ======================= q-point: ( 0.30 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 1.324 1.186 -3.496) 3.922 2.917 ( -1.107 0.337 -5.486) 5.606 3.176 ( -2.665 6.732 -8.245) 10.973 3.246 ( -2.463 2.682 5.161) 6.317 3.369 ( -6.707 0.541 -5.549) 8.722 3.639 ( -18.154 20.713 2.577) 27.663 3.944 ( -12.678 -13.596 8.783) 20.560 4.067 ( -17.210 -21.097 0.542) 27.231 6.025 ( -0.030 -0.040 -1.666) 1.666 6.133 ( 4.359 4.328 2.793) 6.748 6.259 ( 11.613 3.173 1.609) 12.145 6.422 ( 11.553 -0.181 1.046) 11.602 6.758 ( 6.107 -1.361 -8.266) 10.367 7.245 ( 14.152 -0.165 12.480) 18.869 7.721 ( -13.454 0.769 2.894) 13.784 8.333 ( 18.078 1.381 -22.508) 28.902 8.860 ( -16.517 2.695 -10.096) 19.545 9.047 ( 8.973 4.789 16.262) 19.181 9.485 ( -4.054 -3.493 1.740) 5.627 10.045 ( -5.184 2.746 5.779) 8.235 11.219 ( 7.534 1.917 9.829) 12.532 11.927 ( 7.490 -4.308 3.910) 9.484 12.749 ( -12.922 4.650 -9.222) 16.543 12.834 ( -9.900 -2.852 -9.175) 13.796 13.891 ( 7.532 5.864 -7.773) 12.310 14.369 ( 7.735 -0.571 -4.393) 8.914 14.774 ( -0.882 -6.967 9.102) 11.496 15.110 ( -9.526 3.616 -5.221) 11.449 16.288 ( -5.618 -0.000 18.806) 19.628 17.764 ( -13.864 -4.629 4.609) 15.325 18.511 ( 16.034 2.655 12.233) 20.342 19.014 ( 2.866 -1.804 -6.528) 7.354 21.013 ( -0.644 3.580 10.252) 10.878 21.831 ( -6.336 -2.681 -28.454) 29.274 23.145 ( 2.850 -0.979 6.880) 7.511 23.892 ( -4.279 0.148 -2.643) 5.031 ======================= Grid point 512 (259/260) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 2.519 4.302 -3.775) 6.253 2.872 ( -3.996 -0.422 1.325) 4.231 3.053 ( -3.637 12.955 -5.800) 14.652 3.239 ( -2.782 0.422 -9.681) 10.082 3.294 ( -4.646 5.795 2.190) 7.743 3.408 ( 2.119 -1.263 -0.609) 2.541 3.680 ( -13.625 -15.010 13.690) 24.461 3.747 ( -12.475 -14.852 -1.997) 19.499 6.059 ( 3.585 0.631 -2.024) 4.165 6.180 ( 0.219 2.285 4.054) 4.659 6.523 ( 12.651 2.575 -6.613) 14.505 6.626 ( 7.637 0.274 1.774) 7.845 6.869 ( 4.549 0.761 0.737) 4.670 7.352 ( -17.911 2.250 0.848) 18.072 7.604 ( 17.751 -0.797 12.580) 21.772 8.450 ( -20.589 2.128 -11.074) 23.475 8.694 ( 17.297 1.221 -18.701) 25.503 9.279 ( -2.716 5.321 8.870) 10.694 9.388 ( 7.060 -2.756 10.454) 12.913 9.907 ( -8.653 3.471 -0.515) 9.337 11.448 ( 13.888 0.852 13.881) 19.654 11.995 ( -3.028 -5.193 -0.900) 6.078 12.500 ( -7.851 3.977 -8.157) 12.000 12.636 ( -8.691 -3.052 -6.439) 11.239 14.096 ( 12.512 5.083 -5.388) 14.540 14.531 ( 7.548 1.446 -6.189) 9.868 14.741 ( -2.892 -5.275 6.831) 9.102 14.788 ( -18.921 4.242 1.439) 19.444 16.396 ( 14.372 -2.539 4.257) 15.203 17.343 ( -24.985 -2.302 6.942) 26.034 18.868 ( 15.669 4.468 9.880) 19.055 19.105 ( 3.981 -1.618 -5.012) 6.602 21.039 ( 3.577 1.710 19.167) 19.573 21.547 ( -16.716 -2.180 -32.376) 36.502 23.322 ( 11.628 -1.217 9.687) 15.184 23.766 ( -7.746 -0.304 -5.406) 9.451 ======================= Grid point 513 (260/260) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 0.870 3.318 -5.036) 6.093 2.769 ( -0.870 3.318 5.036) 6.093 3.077 ( 0.156 14.310 -16.311) 21.699 3.077 ( -0.156 14.310 16.311) 21.699 3.408 ( 8.035 -16.087 -14.234) 22.934 3.408 ( -8.035 -16.087 14.234) 22.934 3.546 ( -1.889 -6.694 -6.963) 9.842 3.546 ( 1.889 -6.694 6.963) 9.842 6.144 ( 2.557 1.383 -3.576) 4.609 6.144 ( -2.557 1.383 3.576) 4.609 6.699 ( 1.466 1.356 -10.516) 10.704 6.699 ( -1.466 1.356 10.516) 10.704 7.015 ( -12.125 1.207 -5.218) 13.256 7.015 ( 12.125 1.207 5.218) 13.256 8.015 ( -20.661 1.208 -11.647) 23.748 8.015 ( 20.661 1.208 11.647) 23.748 9.028 ( 15.318 1.038 -13.579) 20.497 9.028 ( -15.318 1.038 13.579) 20.497 9.675 ( -13.374 3.046 -7.152) 15.469 9.675 ( 13.374 3.046 7.152) 15.469 11.773 ( -15.221 -1.419 -13.387) 20.320 11.773 ( 15.221 -1.419 13.387) 20.320 12.486 ( -4.845 -0.805 -3.613) 6.097 12.486 ( 4.845 -0.805 3.613) 6.097 14.401 ( -10.609 4.913 1.234) 11.756 14.401 ( 10.609 4.913 -1.234) 11.756 14.663 ( 3.430 -1.880 -11.050) 11.722 14.663 ( -3.430 -1.880 11.050) 11.722 16.816 ( -23.719 -2.331 3.334) 24.066 16.816 ( 23.719 -2.331 -3.334) 24.066 19.099 ( -4.952 2.307 -6.384) 8.402 19.099 ( 4.952 2.307 6.384) 8.402 21.214 ( -12.364 -0.930 -28.740) 31.301 21.214 ( 12.364 -0.930 28.740) 31.301 23.568 ( -10.864 -0.807 -8.301) 13.697 23.568 ( 10.864 -0.807 8.301) 13.697 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32400 10.0 4779.686 3798.836 7696.536 0.000 2199.431 0.000 3/32400 20.0 1189.499 1045.456 1744.916 0.000 385.640 0.000 3/32400 30.0 465.753 389.642 655.988 0.000 127.388 0.000 3/32400 40.0 243.317 200.323 342.564 0.000 60.610 0.000 3/32400 50.0 151.134 124.239 214.930 0.000 34.871 0.000 3/32400 60.0 104.899 86.439 150.670 0.000 22.526 0.000 3/32400 70.0 78.499 64.822 113.522 0.000 15.757 0.000 3/32400 80.0 61.938 51.184 89.902 0.000 11.690 0.000 3/32400 90.0 50.786 41.944 73.811 0.000 9.075 0.000 3/32400 100.0 42.853 35.340 62.268 0.000 7.300 0.000 3/32400 110.0 36.964 30.420 53.648 0.000 6.043 0.000 3/32400 120.0 32.441 26.634 47.003 0.000 5.119 0.000 3/32400 130.0 28.872 23.642 41.746 0.000 4.420 0.000 3/32400 140.0 25.991 21.227 37.499 0.000 3.877 0.000 3/32400 150.0 23.624 19.241 34.005 0.000 3.446 0.000 3/32400 160.0 21.647 17.583 31.087 0.000 3.097 0.000 3/32400 170.0 19.975 16.181 28.618 0.000 2.811 0.000 3/32400 180.0 18.543 14.982 26.505 0.000 2.572 0.000 3/32400 190.0 17.305 13.945 24.678 0.000 2.370 0.000 3/32400 200.0 16.224 13.041 23.085 0.000 2.197 0.000 3/32400 210.0 15.273 12.246 21.685 0.000 2.048 0.000 3/32400 220.0 14.430 11.543 20.445 0.000 1.919 0.000 3/32400 230.0 13.677 10.916 19.340 0.000 1.805 0.000 3/32400 240.0 13.002 10.354 18.349 0.000 1.705 0.000 3/32400 250.0 12.392 9.848 17.456 0.000 1.615 0.000 3/32400 260.0 11.839 9.389 16.648 0.000 1.535 0.000 3/32400 270.0 11.335 8.972 15.912 0.000 1.463 0.000 3/32400 280.0 10.874 8.591 15.240 0.000 1.398 0.000 3/32400 290.0 10.450 8.242 14.623 0.000 1.339 0.000 3/32400 300.0 10.060 7.920 14.056 0.000 1.284 0.000 3/32400 310.0 9.698 7.624 13.532 0.000 1.235 0.000 3/32400 320.0 9.363 7.349 13.047 0.000 1.189 0.000 3/32400 330.0 9.050 7.094 12.596 0.000 1.146 0.000 3/32400 340.0 8.759 6.856 12.176 0.000 1.107 0.000 3/32400 350.0 8.487 6.634 11.784 0.000 1.071 0.000 3/32400 360.0 8.231 6.426 11.417 0.000 1.037 0.000 3/32400 370.0 7.991 6.232 11.073 0.000 1.005 0.000 3/32400 380.0 7.765 6.049 10.749 0.000 0.975 0.000 3/32400 390.0 7.552 5.877 10.445 0.000 0.947 0.000 3/32400 400.0 7.351 5.714 10.157 0.000 0.921 0.000 3/32400 410.0 7.160 5.561 9.886 0.000 0.896 0.000 3/32400 420.0 6.979 5.415 9.629 0.000 0.872 0.000 3/32400 430.0 6.808 5.278 9.385 0.000 0.850 0.000 3/32400 440.0 6.645 5.147 9.154 0.000 0.829 0.000 3/32400 450.0 6.490 5.023 8.934 0.000 0.809 0.000 3/32400 460.0 6.342 4.905 8.724 0.000 0.790 0.000 3/32400 470.0 6.200 4.792 8.525 0.000 0.772 0.000 3/32400 480.0 6.065 4.685 8.334 0.000 0.755 0.000 3/32400 490.0 5.936 4.582 8.153 0.000 0.738 0.000 3/32400 500.0 5.813 4.484 7.979 0.000 0.723 0.000 3/32400 510.0 5.694 4.390 7.812 0.000 0.707 0.000 3/32400 520.0 5.581 4.300 7.653 0.000 0.693 0.000 3/32400 530.0 5.472 4.214 7.500 0.000 0.679 0.000 3/32400 540.0 5.367 4.131 7.353 0.000 0.666 0.000 3/32400 550.0 5.266 4.051 7.212 0.000 0.653 0.000 3/32400 560.0 5.169 3.975 7.076 0.000 0.641 0.000 3/32400 570.0 5.075 3.901 6.945 0.000 0.629 0.000 3/32400 580.0 4.985 3.830 6.819 0.000 0.618 0.000 3/32400 590.0 4.898 3.762 6.698 0.000 0.607 0.000 3/32400 600.0 4.815 3.696 6.581 0.000 0.596 0.000 3/32400 610.0 4.734 3.633 6.469 0.000 0.586 0.000 3/32400 620.0 4.655 3.571 6.360 0.000 0.576 0.000 3/32400 630.0 4.580 3.512 6.254 0.000 0.567 0.000 3/32400 640.0 4.506 3.455 6.153 0.000 0.558 0.000 3/32400 650.0 4.435 3.399 6.054 0.000 0.549 0.000 3/32400 660.0 4.367 3.345 5.959 0.000 0.540 0.000 3/32400 670.0 4.300 3.294 5.866 0.000 0.532 0.000 3/32400 680.0 4.236 3.243 5.777 0.000 0.524 0.000 3/32400 690.0 4.173 3.194 5.690 0.000 0.516 0.000 3/32400 700.0 4.112 3.147 5.606 0.000 0.508 0.000 3/32400 710.0 4.053 3.101 5.524 0.000 0.501 0.000 3/32400 720.0 3.996 3.056 5.445 0.000 0.494 0.000 3/32400 730.0 3.940 3.013 5.368 0.000 0.487 0.000 3/32400 740.0 3.886 2.971 5.293 0.000 0.480 0.000 3/32400 750.0 3.833 2.930 5.221 0.000 0.474 0.000 3/32400 760.0 3.782 2.890 5.150 0.000 0.467 0.000 3/32400 770.0 3.732 2.852 5.081 0.000 0.461 0.000 3/32400 780.0 3.684 2.814 5.014 0.000 0.455 0.000 3/32400 790.0 3.636 2.777 4.949 0.000 0.449 0.000 3/32400 800.0 3.590 2.742 4.885 0.000 0.443 0.000 3/32400 810.0 3.545 2.707 4.823 0.000 0.438 0.000 3/32400 820.0 3.501 2.673 4.763 0.000 0.432 0.000 3/32400 830.0 3.459 2.640 4.704 0.000 0.427 0.000 3/32400 840.0 3.417 2.608 4.647 0.000 0.422 0.000 3/32400 850.0 3.376 2.576 4.591 0.000 0.417 0.000 3/32400 860.0 3.336 2.545 4.536 0.000 0.412 0.000 3/32400 870.0 3.298 2.515 4.483 0.000 0.407 0.000 3/32400 880.0 3.260 2.486 4.431 0.000 0.402 0.000 3/32400 890.0 3.223 2.458 4.380 0.000 0.398 0.000 3/32400 900.0 3.186 2.430 4.330 0.000 0.393 0.000 3/32400 910.0 3.151 2.402 4.282 0.000 0.389 0.000 3/32400 920.0 3.116 2.376 4.234 0.000 0.385 0.000 3/32400 930.0 3.083 2.350 4.188 0.000 0.380 0.000 3/32400 940.0 3.049 2.324 4.142 0.000 0.376 0.000 3/32400 950.0 3.017 2.299 4.098 0.000 0.372 0.000 3/32400 960.0 2.985 2.275 4.055 0.000 0.368 0.000 3/32400 970.0 2.954 2.251 4.012 0.000 0.364 0.000 3/32400 980.0 2.924 2.227 3.970 0.000 0.361 0.000 3/32400 990.0 2.894 2.204 3.929 0.000 0.357 0.000 3/32400 1000.0 2.865 2.182 3.889 0.000 0.353 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|