----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:35:18]------------------------- 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_1/m (11) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.811264360257733 0.000000000000000 0.000000000000000 b 0.000000000000000 9.223422009999998 0.000000000000000 c -1.172515090889694 0.000000000000000 5.088619923909432 Atomic positions (fractional): *1 P 0.26139679651385 0.75000000000000 0.89129786357167 30.974 2 P 0.73860320348616 0.25000000000000 0.10870213642833 30.974 *3 P 0.61908556475302 0.59431574222403 0.96072556160618 30.974 4 P 0.38091443524698 0.09431574222403 0.03927443839382 30.974 5 P 0.38091443524698 0.40568425777597 0.03927443839382 30.974 6 P 0.61908556475302 0.90568425777597 0.96072556160618 30.974 *7 P 0.72198137045013 0.52968886659970 0.59389959044690 30.974 8 P 0.27801862954987 0.02968886659970 0.40610040955310 30.974 9 P 0.27801862954987 0.47031113340030 0.40610040955310 30.974 10 P 0.72198137045013 0.97031113340030 0.59389959044690 30.974 *11 Lu 0.00546967489106 0.75000000000000 0.34820131441100 174.967 12 Lu 0.99453032510894 0.25000000000000 0.65179868558900 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.811264360257733 0.000000000000000 0.000000000000000 b 0.000000000000000 9.223422009999998 0.000000000000000 c -1.172515090889694 0.000000000000000 5.088619923909432 Atomic positions (fractional): *1 P 0.26139679651385 0.75000000000000 0.89129786357167 30.974 > 1 2 P 0.73860320348616 0.25000000000000 0.10870213642833 30.974 > 2 *3 P 0.61908556475302 0.59431574222403 0.96072556160618 30.974 > 3 4 P 0.38091443524698 0.09431574222403 0.03927443839382 30.974 > 4 5 P 0.38091443524698 0.40568425777597 0.03927443839382 30.974 > 5 6 P 0.61908556475302 0.90568425777597 0.96072556160618 30.974 > 6 *7 P 0.72198137045013 0.52968886659970 0.59389959044690 30.974 > 7 8 P 0.27801862954987 0.02968886659970 0.40610040955310 30.974 > 8 9 P 0.27801862954987 0.47031113340030 0.40610040955310 30.974 > 9 10 P 0.72198137045013 0.97031113340030 0.59389959044690 30.974 > 10 *11 Lu 0.00546967489106 0.75000000000000 0.34820131441100 174.967 > 11 12 Lu 0.99453032510894 0.25000000000000 0.65179868558900 174.967 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.433793080773199 0.000000000000000 0.000000000000000 b 0.000000000000000 18.446844019999997 0.000000000000000 c -2.345030181779388 0.000000000000000 10.177239847818864 Atomic positions (fractional): *1 P 0.08713226550462 0.37500000000000 0.44564893178584 30.974 > 1 2 P 0.42046559883795 0.37500000000000 0.44564893178584 30.974 > 1 3 P 0.75379893217128 0.37500000000000 0.44564893178584 30.974 > 1 4 P 0.08713226550462 0.87500000000000 0.44564893178584 30.974 > 1 5 P 0.42046559883795 0.87500000000000 0.44564893178584 30.974 > 1 6 P 0.75379893217128 0.87500000000000 0.44564893178584 30.974 > 1 7 P 0.08713226550462 0.37500000000000 0.94564893178584 30.974 > 1 8 P 0.42046559883795 0.37500000000000 0.94564893178584 30.974 > 1 9 P 0.75379893217128 0.37500000000000 0.94564893178584 30.974 > 1 10 P 0.08713226550462 0.87500000000000 0.94564893178584 30.974 > 1 11 P 0.42046559883795 0.87500000000000 0.94564893178584 30.974 > 1 12 P 0.75379893217128 0.87500000000000 0.94564893178584 30.974 > 1 13 P 0.24620106782872 0.12500000000000 0.05435106821416 30.974 > 2 14 P 0.57953440116205 0.12500000000000 0.05435106821416 30.974 > 2 15 P 0.91286773449538 0.12500000000000 0.05435106821416 30.974 > 2 16 P 0.24620106782872 0.62500000000000 0.05435106821416 30.974 > 2 17 P 0.57953440116205 0.62500000000000 0.05435106821416 30.974 > 2 18 P 0.91286773449538 0.62500000000000 0.05435106821416 30.974 > 2 19 P 0.24620106782872 0.12500000000000 0.55435106821416 30.974 > 2 20 P 0.57953440116205 0.12500000000000 0.55435106821416 30.974 > 2 21 P 0.91286773449538 0.12500000000000 0.55435106821416 30.974 > 2 22 P 0.24620106782872 0.62500000000000 0.55435106821416 30.974 > 2 23 P 0.57953440116205 0.62500000000000 0.55435106821416 30.974 > 2 24 P 0.91286773449538 0.62500000000000 0.55435106821416 30.974 > 2 *25 P 0.20636185491767 0.29715787111202 0.48036278080309 30.974 > 3 26 P 0.53969518825101 0.29715787111202 0.48036278080309 30.974 > 3 27 P 0.87302852158434 0.29715787111202 0.48036278080309 30.974 > 3 28 P 0.20636185491767 0.79715787111202 0.48036278080309 30.974 > 3 29 P 0.53969518825101 0.79715787111202 0.48036278080309 30.974 > 3 30 P 0.87302852158434 0.79715787111202 0.48036278080309 30.974 > 3 31 P 0.20636185491767 0.29715787111202 0.98036278080309 30.974 > 3 32 P 0.53969518825101 0.29715787111202 0.98036278080309 30.974 > 3 33 P 0.87302852158434 0.29715787111202 0.98036278080309 30.974 > 3 34 P 0.20636185491767 0.79715787111202 0.98036278080309 30.974 > 3 35 P 0.53969518825101 0.79715787111202 0.98036278080309 30.974 > 3 36 P 0.87302852158434 0.79715787111202 0.98036278080309 30.974 > 3 37 P 0.12697147841566 0.04715787111202 0.01963721919691 30.974 > 4 38 P 0.46030481174899 0.04715787111202 0.01963721919691 30.974 > 4 39 P 0.79363814508233 0.04715787111202 0.01963721919691 30.974 > 4 40 P 0.12697147841566 0.54715787111202 0.01963721919691 30.974 > 4 41 P 0.46030481174899 0.54715787111202 0.01963721919691 30.974 > 4 42 P 0.79363814508233 0.54715787111202 0.01963721919691 30.974 > 4 43 P 0.12697147841566 0.04715787111202 0.51963721919691 30.974 > 4 44 P 0.46030481174899 0.04715787111202 0.51963721919691 30.974 > 4 45 P 0.79363814508233 0.04715787111202 0.51963721919691 30.974 > 4 46 P 0.12697147841566 0.54715787111202 0.51963721919691 30.974 > 4 47 P 0.46030481174899 0.54715787111202 0.51963721919691 30.974 > 4 48 P 0.79363814508233 0.54715787111202 0.51963721919691 30.974 > 4 49 P 0.12697147841566 0.20284212888798 0.01963721919691 30.974 > 5 50 P 0.46030481174899 0.20284212888798 0.01963721919691 30.974 > 5 51 P 0.79363814508233 0.20284212888798 0.01963721919691 30.974 > 5 52 P 0.12697147841566 0.70284212888798 0.01963721919691 30.974 > 5 53 P 0.46030481174899 0.70284212888798 0.01963721919691 30.974 > 5 54 P 0.79363814508233 0.70284212888798 0.01963721919691 30.974 > 5 55 P 0.12697147841566 0.20284212888798 0.51963721919691 30.974 > 5 56 P 0.46030481174899 0.20284212888798 0.51963721919691 30.974 > 5 57 P 0.79363814508233 0.20284212888798 0.51963721919691 30.974 > 5 58 P 0.12697147841566 0.70284212888798 0.51963721919691 30.974 > 5 59 P 0.46030481174899 0.70284212888798 0.51963721919691 30.974 > 5 60 P 0.79363814508233 0.70284212888798 0.51963721919691 30.974 > 5 61 P 0.20636185491767 0.45284212888798 0.48036278080309 30.974 > 6 62 P 0.53969518825101 0.45284212888798 0.48036278080309 30.974 > 6 63 P 0.87302852158434 0.45284212888798 0.48036278080309 30.974 > 6 64 P 0.20636185491767 0.95284212888798 0.48036278080309 30.974 > 6 65 P 0.53969518825101 0.95284212888798 0.48036278080309 30.974 > 6 66 P 0.87302852158434 0.95284212888798 0.48036278080309 30.974 > 6 67 P 0.20636185491767 0.45284212888798 0.98036278080309 30.974 > 6 68 P 0.53969518825101 0.45284212888798 0.98036278080309 30.974 > 6 69 P 0.87302852158434 0.45284212888798 0.98036278080309 30.974 > 6 70 P 0.20636185491767 0.95284212888798 0.98036278080309 30.974 > 6 71 P 0.53969518825101 0.95284212888798 0.98036278080309 30.974 > 6 72 P 0.87302852158434 0.95284212888798 0.98036278080309 30.974 > 6 *73 P 0.24066045681671 0.26484443329985 0.29694979522345 30.974 > 7 74 P 0.57399379015004 0.26484443329985 0.29694979522345 30.974 > 7 75 P 0.90732712348338 0.26484443329985 0.29694979522345 30.974 > 7 76 P 0.24066045681671 0.76484443329985 0.29694979522345 30.974 > 7 77 P 0.57399379015004 0.76484443329985 0.29694979522345 30.974 > 7 78 P 0.90732712348338 0.76484443329985 0.29694979522345 30.974 > 7 79 P 0.24066045681671 0.26484443329985 0.79694979522345 30.974 > 7 80 P 0.57399379015004 0.26484443329985 0.79694979522345 30.974 > 7 81 P 0.90732712348338 0.26484443329985 0.79694979522345 30.974 > 7 82 P 0.24066045681671 0.76484443329985 0.79694979522345 30.974 > 7 83 P 0.57399379015004 0.76484443329985 0.79694979522345 30.974 > 7 84 P 0.90732712348338 0.76484443329985 0.79694979522345 30.974 > 7 85 P 0.09267287651662 0.01484443329985 0.20305020477655 30.974 > 8 86 P 0.42600620984996 0.01484443329985 0.20305020477655 30.974 > 8 87 P 0.75933954318329 0.01484443329985 0.20305020477655 30.974 > 8 88 P 0.09267287651662 0.51484443329985 0.20305020477655 30.974 > 8 89 P 0.42600620984996 0.51484443329985 0.20305020477655 30.974 > 8 90 P 0.75933954318329 0.51484443329985 0.20305020477655 30.974 > 8 91 P 0.09267287651662 0.01484443329985 0.70305020477655 30.974 > 8 92 P 0.42600620984996 0.01484443329985 0.70305020477655 30.974 > 8 93 P 0.75933954318329 0.01484443329985 0.70305020477655 30.974 > 8 94 P 0.09267287651662 0.51484443329985 0.70305020477655 30.974 > 8 95 P 0.42600620984996 0.51484443329985 0.70305020477655 30.974 > 8 96 P 0.75933954318329 0.51484443329985 0.70305020477655 30.974 > 8 97 P 0.09267287651662 0.23515556670015 0.20305020477655 30.974 > 9 98 P 0.42600620984996 0.23515556670015 0.20305020477655 30.974 > 9 99 P 0.75933954318329 0.23515556670015 0.20305020477655 30.974 > 9 100 P 0.09267287651662 0.73515556670015 0.20305020477655 30.974 > 9 101 P 0.42600620984996 0.73515556670015 0.20305020477655 30.974 > 9 102 P 0.75933954318329 0.73515556670015 0.20305020477655 30.974 > 9 103 P 0.09267287651662 0.23515556670015 0.70305020477655 30.974 > 9 104 P 0.42600620984996 0.23515556670015 0.70305020477655 30.974 > 9 105 P 0.75933954318329 0.23515556670015 0.70305020477655 30.974 > 9 106 P 0.09267287651662 0.73515556670015 0.70305020477655 30.974 > 9 107 P 0.42600620984996 0.73515556670015 0.70305020477655 30.974 > 9 108 P 0.75933954318329 0.73515556670015 0.70305020477655 30.974 > 9 109 P 0.24066045681671 0.48515556670015 0.29694979522345 30.974 > 10 110 P 0.57399379015004 0.48515556670015 0.29694979522345 30.974 > 10 111 P 0.90732712348338 0.48515556670015 0.29694979522345 30.974 > 10 112 P 0.24066045681671 0.98515556670015 0.29694979522345 30.974 > 10 113 P 0.57399379015004 0.98515556670015 0.29694979522345 30.974 > 10 114 P 0.90732712348338 0.98515556670015 0.29694979522345 30.974 > 10 115 P 0.24066045681671 0.48515556670015 0.79694979522345 30.974 > 10 116 P 0.57399379015004 0.48515556670015 0.79694979522345 30.974 > 10 117 P 0.90732712348338 0.48515556670015 0.79694979522345 30.974 > 10 118 P 0.24066045681671 0.98515556670015 0.79694979522345 30.974 > 10 119 P 0.57399379015004 0.98515556670015 0.79694979522345 30.974 > 10 120 P 0.90732712348338 0.98515556670015 0.79694979522345 30.974 > 10 *121 Lu 0.00182322496369 0.37500000000000 0.17410065720550 174.967 > 11 122 Lu 0.33515655829702 0.37500000000000 0.17410065720550 174.967 > 11 123 Lu 0.66848989163035 0.37500000000000 0.17410065720550 174.967 > 11 124 Lu 0.00182322496369 0.87500000000000 0.17410065720550 174.967 > 11 125 Lu 0.33515655829702 0.87500000000000 0.17410065720550 174.967 > 11 126 Lu 0.66848989163035 0.87500000000000 0.17410065720550 174.967 > 11 127 Lu 0.00182322496369 0.37500000000000 0.67410065720550 174.967 > 11 128 Lu 0.33515655829702 0.37500000000000 0.67410065720550 174.967 > 11 129 Lu 0.66848989163035 0.37500000000000 0.67410065720550 174.967 > 11 130 Lu 0.00182322496369 0.87500000000000 0.67410065720550 174.967 > 11 131 Lu 0.33515655829702 0.87500000000000 0.67410065720550 174.967 > 11 132 Lu 0.66848989163035 0.87500000000000 0.67410065720550 174.967 > 11 133 Lu 0.33151010836965 0.12500000000000 0.32589934279450 174.967 > 12 134 Lu 0.66484344170298 0.12500000000000 0.32589934279450 174.967 > 12 135 Lu 0.99817677503631 0.12500000000000 0.32589934279450 174.967 > 12 136 Lu 0.33151010836965 0.62500000000000 0.32589934279450 174.967 > 12 137 Lu 0.66484344170298 0.62500000000000 0.32589934279450 174.967 > 12 138 Lu 0.99817677503631 0.62500000000000 0.32589934279450 174.967 > 12 139 Lu 0.33151010836965 0.12500000000000 0.82589934279450 174.967 > 12 140 Lu 0.66484344170298 0.12500000000000 0.82589934279450 174.967 > 12 141 Lu 0.99817677503631 0.12500000000000 0.82589934279450 174.967 > 12 142 Lu 0.33151010836965 0.62500000000000 0.82589934279450 174.967 > 12 143 Lu 0.66484344170298 0.62500000000000 0.82589934279450 174.967 > 12 144 Lu 0.99817677503631 0.62500000000000 0.82589934279450 174.967 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.4779006 0.0000000 -1.0193852 0.0000000 15.1933760 0.0000000 -1.0193825 0.0000000 16.3648440 -------------------------- Born effective charges -------------------------- 1 P -1.1304509 0.0000000 0.1601012 0.0000000 -0.7745988 0.0000000 0.4740518 0.0000000 -0.7736982 2 P -1.1304509 0.0000000 0.1601012 0.0000000 -0.7745988 0.0000000 0.4740518 0.0000000 -0.7736982 3 P 0.0153204 -0.4733817 -0.5645952 -0.5983390 0.4727608 -0.2487637 -0.5708427 0.0908140 0.6801047 4 P 0.0153204 0.4733817 -0.5645952 0.5983390 0.4727608 0.2487637 -0.5708427 -0.0908140 0.6801047 5 P 0.0153204 -0.4733817 -0.5645952 -0.5983390 0.4727608 -0.2487637 -0.5708427 0.0908140 0.6801047 6 P 0.0153204 0.4733817 -0.5645952 0.5983390 0.4727608 0.2487637 -0.5708427 -0.0908140 0.6801047 7 P -0.8426472 0.2826501 0.4386865 0.2417360 -1.2257070 0.3281022 0.1526782 -0.0652471 -1.0304382 8 P -0.8426472 -0.2826501 0.4386865 -0.2417360 -1.2257070 -0.3281022 0.1526782 0.0652471 -1.0304382 9 P -0.8426472 0.2826501 0.4386865 0.2417360 -1.2257070 0.3281022 0.1526782 -0.0652471 -1.0304382 10 P -0.8426472 -0.2826501 0.4386865 -0.2417360 -1.2257070 -0.3281022 0.1526782 0.0652471 -1.0304382 11 Lu 2.7851044 0.0000000 0.0917163 0.0000000 2.2804912 0.0000000 0.3622772 0.0000000 1.4743653 12 Lu 2.7851044 0.0000000 0.0917163 0.0000000 2.2804912 0.0000000 0.3622772 0.0000000 1.4743653 ---------------------------------------------------------------------------- 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: 2046 Number of blocks in projector: 2046 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2046, 2019), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (408, 404), data: True |-- (408, 404), data: True |-- (456, 449), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.565 Solver_block: 200 / 400 - Time: 4.662 Solver_block: 300 / 400 - Time: 4.658 Solver_block: 400 / 400 - Time: 4.659 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.602 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 2046 Number of blocks in projector: 2046 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: 456 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2046, 2019), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (408, 404), data: True |-- (408, 404), data: True |-- (456, 449), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 23:35:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:35:59]------------------------- 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_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.811264360257733 0.000000000000000 0.000000000000000 b 0.000000000000000 9.223422009999998 0.000000000000000 c -1.172515090889694 0.000000000000000 5.088619923909432 Atomic positions (fractional): 1 P 0.26139679651385 0.75000000000000 0.89129786357167 30.974 2 P 0.73860320348616 0.25000000000000 0.10870213642833 30.974 3 P 0.61908556475302 0.59431574222403 0.96072556160618 30.974 4 P 0.38091443524698 0.09431574222403 0.03927443839382 30.974 5 P 0.38091443524698 0.40568425777597 0.03927443839382 30.974 6 P 0.61908556475302 0.90568425777597 0.96072556160618 30.974 7 P 0.72198137045013 0.52968886659970 0.59389959044690 30.974 8 P 0.27801862954987 0.02968886659970 0.40610040955310 30.974 9 P 0.27801862954987 0.47031113340030 0.40610040955310 30.974 10 P 0.72198137045013 0.97031113340030 0.59389959044690 30.974 11 Lu 0.00546967489106 0.75000000000000 0.34820131441100 174.967 12 Lu 0.99453032510894 0.25000000000000 0.65179868558900 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.433793080773199 0.000000000000000 0.000000000000000 b 0.000000000000000 18.446844019999997 0.000000000000000 c -2.345030181779388 0.000000000000000 10.177239847818864 Atomic positions (fractional): 1 P 0.08713226550462 0.37500000000000 0.44564893178584 30.974 > 1 2 P 0.42046559883795 0.37500000000000 0.44564893178584 30.974 > 1 3 P 0.75379893217128 0.37500000000000 0.44564893178584 30.974 > 1 4 P 0.08713226550462 0.87500000000000 0.44564893178584 30.974 > 1 5 P 0.42046559883795 0.87500000000000 0.44564893178584 30.974 > 1 6 P 0.75379893217128 0.87500000000000 0.44564893178584 30.974 > 1 7 P 0.08713226550462 0.37500000000000 0.94564893178584 30.974 > 1 8 P 0.42046559883795 0.37500000000000 0.94564893178584 30.974 > 1 9 P 0.75379893217128 0.37500000000000 0.94564893178584 30.974 > 1 10 P 0.08713226550462 0.87500000000000 0.94564893178584 30.974 > 1 11 P 0.42046559883795 0.87500000000000 0.94564893178584 30.974 > 1 12 P 0.75379893217128 0.87500000000000 0.94564893178584 30.974 > 1 13 P 0.24620106782872 0.12500000000000 0.05435106821416 30.974 > 13 14 P 0.57953440116205 0.12500000000000 0.05435106821416 30.974 > 13 15 P 0.91286773449538 0.12500000000000 0.05435106821416 30.974 > 13 16 P 0.24620106782872 0.62500000000000 0.05435106821416 30.974 > 13 17 P 0.57953440116205 0.62500000000000 0.05435106821416 30.974 > 13 18 P 0.91286773449538 0.62500000000000 0.05435106821416 30.974 > 13 19 P 0.24620106782872 0.12500000000000 0.55435106821416 30.974 > 13 20 P 0.57953440116205 0.12500000000000 0.55435106821416 30.974 > 13 21 P 0.91286773449538 0.12500000000000 0.55435106821416 30.974 > 13 22 P 0.24620106782872 0.62500000000000 0.55435106821416 30.974 > 13 23 P 0.57953440116205 0.62500000000000 0.55435106821416 30.974 > 13 24 P 0.91286773449538 0.62500000000000 0.55435106821416 30.974 > 13 25 P 0.20636185491767 0.29715787111202 0.48036278080309 30.974 > 25 26 P 0.53969518825101 0.29715787111202 0.48036278080309 30.974 > 25 27 P 0.87302852158434 0.29715787111202 0.48036278080309 30.974 > 25 28 P 0.20636185491767 0.79715787111202 0.48036278080309 30.974 > 25 29 P 0.53969518825101 0.79715787111202 0.48036278080309 30.974 > 25 30 P 0.87302852158434 0.79715787111202 0.48036278080309 30.974 > 25 31 P 0.20636185491767 0.29715787111202 0.98036278080309 30.974 > 25 32 P 0.53969518825101 0.29715787111202 0.98036278080309 30.974 > 25 33 P 0.87302852158434 0.29715787111202 0.98036278080309 30.974 > 25 34 P 0.20636185491767 0.79715787111202 0.98036278080309 30.974 > 25 35 P 0.53969518825101 0.79715787111202 0.98036278080309 30.974 > 25 36 P 0.87302852158434 0.79715787111202 0.98036278080309 30.974 > 25 37 P 0.12697147841566 0.04715787111202 0.01963721919691 30.974 > 37 38 P 0.46030481174899 0.04715787111202 0.01963721919691 30.974 > 37 39 P 0.79363814508233 0.04715787111202 0.01963721919691 30.974 > 37 40 P 0.12697147841566 0.54715787111202 0.01963721919691 30.974 > 37 41 P 0.46030481174899 0.54715787111202 0.01963721919691 30.974 > 37 42 P 0.79363814508233 0.54715787111202 0.01963721919691 30.974 > 37 43 P 0.12697147841566 0.04715787111202 0.51963721919691 30.974 > 37 44 P 0.46030481174899 0.04715787111202 0.51963721919691 30.974 > 37 45 P 0.79363814508233 0.04715787111202 0.51963721919691 30.974 > 37 46 P 0.12697147841566 0.54715787111202 0.51963721919691 30.974 > 37 47 P 0.46030481174899 0.54715787111202 0.51963721919691 30.974 > 37 48 P 0.79363814508233 0.54715787111202 0.51963721919691 30.974 > 37 49 P 0.12697147841566 0.20284212888798 0.01963721919691 30.974 > 49 50 P 0.46030481174899 0.20284212888798 0.01963721919691 30.974 > 49 51 P 0.79363814508233 0.20284212888798 0.01963721919691 30.974 > 49 52 P 0.12697147841566 0.70284212888798 0.01963721919691 30.974 > 49 53 P 0.46030481174899 0.70284212888798 0.01963721919691 30.974 > 49 54 P 0.79363814508233 0.70284212888798 0.01963721919691 30.974 > 49 55 P 0.12697147841566 0.20284212888798 0.51963721919691 30.974 > 49 56 P 0.46030481174899 0.20284212888798 0.51963721919691 30.974 > 49 57 P 0.79363814508233 0.20284212888798 0.51963721919691 30.974 > 49 58 P 0.12697147841566 0.70284212888798 0.51963721919691 30.974 > 49 59 P 0.46030481174899 0.70284212888798 0.51963721919691 30.974 > 49 60 P 0.79363814508233 0.70284212888798 0.51963721919691 30.974 > 49 61 P 0.20636185491767 0.45284212888798 0.48036278080309 30.974 > 61 62 P 0.53969518825101 0.45284212888798 0.48036278080309 30.974 > 61 63 P 0.87302852158434 0.45284212888798 0.48036278080309 30.974 > 61 64 P 0.20636185491767 0.95284212888798 0.48036278080309 30.974 > 61 65 P 0.53969518825101 0.95284212888798 0.48036278080309 30.974 > 61 66 P 0.87302852158434 0.95284212888798 0.48036278080309 30.974 > 61 67 P 0.20636185491767 0.45284212888798 0.98036278080309 30.974 > 61 68 P 0.53969518825101 0.45284212888798 0.98036278080309 30.974 > 61 69 P 0.87302852158434 0.45284212888798 0.98036278080309 30.974 > 61 70 P 0.20636185491767 0.95284212888798 0.98036278080309 30.974 > 61 71 P 0.53969518825101 0.95284212888798 0.98036278080309 30.974 > 61 72 P 0.87302852158434 0.95284212888798 0.98036278080309 30.974 > 61 73 P 0.24066045681671 0.26484443329985 0.29694979522345 30.974 > 73 74 P 0.57399379015004 0.26484443329985 0.29694979522345 30.974 > 73 75 P 0.90732712348338 0.26484443329985 0.29694979522345 30.974 > 73 76 P 0.24066045681671 0.76484443329985 0.29694979522345 30.974 > 73 77 P 0.57399379015004 0.76484443329985 0.29694979522345 30.974 > 73 78 P 0.90732712348338 0.76484443329985 0.29694979522345 30.974 > 73 79 P 0.24066045681671 0.26484443329985 0.79694979522345 30.974 > 73 80 P 0.57399379015004 0.26484443329985 0.79694979522345 30.974 > 73 81 P 0.90732712348338 0.26484443329985 0.79694979522345 30.974 > 73 82 P 0.24066045681671 0.76484443329985 0.79694979522345 30.974 > 73 83 P 0.57399379015004 0.76484443329985 0.79694979522345 30.974 > 73 84 P 0.90732712348338 0.76484443329985 0.79694979522345 30.974 > 73 85 P 0.09267287651662 0.01484443329985 0.20305020477655 30.974 > 85 86 P 0.42600620984996 0.01484443329985 0.20305020477655 30.974 > 85 87 P 0.75933954318329 0.01484443329985 0.20305020477655 30.974 > 85 88 P 0.09267287651662 0.51484443329985 0.20305020477655 30.974 > 85 89 P 0.42600620984996 0.51484443329985 0.20305020477655 30.974 > 85 90 P 0.75933954318329 0.51484443329985 0.20305020477655 30.974 > 85 91 P 0.09267287651662 0.01484443329985 0.70305020477655 30.974 > 85 92 P 0.42600620984996 0.01484443329985 0.70305020477655 30.974 > 85 93 P 0.75933954318329 0.01484443329985 0.70305020477655 30.974 > 85 94 P 0.09267287651662 0.51484443329985 0.70305020477655 30.974 > 85 95 P 0.42600620984996 0.51484443329985 0.70305020477655 30.974 > 85 96 P 0.75933954318329 0.51484443329985 0.70305020477655 30.974 > 85 97 P 0.09267287651662 0.23515556670015 0.20305020477655 30.974 > 97 98 P 0.42600620984996 0.23515556670015 0.20305020477655 30.974 > 97 99 P 0.75933954318329 0.23515556670015 0.20305020477655 30.974 > 97 100 P 0.09267287651662 0.73515556670015 0.20305020477655 30.974 > 97 101 P 0.42600620984996 0.73515556670015 0.20305020477655 30.974 > 97 102 P 0.75933954318329 0.73515556670015 0.20305020477655 30.974 > 97 103 P 0.09267287651662 0.23515556670015 0.70305020477655 30.974 > 97 104 P 0.42600620984996 0.23515556670015 0.70305020477655 30.974 > 97 105 P 0.75933954318329 0.23515556670015 0.70305020477655 30.974 > 97 106 P 0.09267287651662 0.73515556670015 0.70305020477655 30.974 > 97 107 P 0.42600620984996 0.73515556670015 0.70305020477655 30.974 > 97 108 P 0.75933954318329 0.73515556670015 0.70305020477655 30.974 > 97 109 P 0.24066045681671 0.48515556670015 0.29694979522345 30.974 > 109 110 P 0.57399379015004 0.48515556670015 0.29694979522345 30.974 > 109 111 P 0.90732712348338 0.48515556670015 0.29694979522345 30.974 > 109 112 P 0.24066045681671 0.98515556670015 0.29694979522345 30.974 > 109 113 P 0.57399379015004 0.98515556670015 0.29694979522345 30.974 > 109 114 P 0.90732712348338 0.98515556670015 0.29694979522345 30.974 > 109 115 P 0.24066045681671 0.48515556670015 0.79694979522345 30.974 > 109 116 P 0.57399379015004 0.48515556670015 0.79694979522345 30.974 > 109 117 P 0.90732712348338 0.48515556670015 0.79694979522345 30.974 > 109 118 P 0.24066045681671 0.98515556670015 0.79694979522345 30.974 > 109 119 P 0.57399379015004 0.98515556670015 0.79694979522345 30.974 > 109 120 P 0.90732712348338 0.98515556670015 0.79694979522345 30.974 > 109 121 Lu 0.00182322496369 0.37500000000000 0.17410065720550 174.967 > 121 122 Lu 0.33515655829702 0.37500000000000 0.17410065720550 174.967 > 121 123 Lu 0.66848989163035 0.37500000000000 0.17410065720550 174.967 > 121 124 Lu 0.00182322496369 0.87500000000000 0.17410065720550 174.967 > 121 125 Lu 0.33515655829702 0.87500000000000 0.17410065720550 174.967 > 121 126 Lu 0.66848989163035 0.87500000000000 0.17410065720550 174.967 > 121 127 Lu 0.00182322496369 0.37500000000000 0.67410065720550 174.967 > 121 128 Lu 0.33515655829702 0.37500000000000 0.67410065720550 174.967 > 121 129 Lu 0.66848989163035 0.37500000000000 0.67410065720550 174.967 > 121 130 Lu 0.00182322496369 0.87500000000000 0.67410065720550 174.967 > 121 131 Lu 0.33515655829702 0.87500000000000 0.67410065720550 174.967 > 121 132 Lu 0.66848989163035 0.87500000000000 0.67410065720550 174.967 > 121 133 Lu 0.33151010836965 0.12500000000000 0.32589934279450 174.967 > 133 134 Lu 0.66484344170298 0.12500000000000 0.32589934279450 174.967 > 133 135 Lu 0.99817677503631 0.12500000000000 0.32589934279450 174.967 > 133 136 Lu 0.33151010836965 0.62500000000000 0.32589934279450 174.967 > 133 137 Lu 0.66484344170298 0.62500000000000 0.32589934279450 174.967 > 133 138 Lu 0.99817677503631 0.62500000000000 0.32589934279450 174.967 > 133 139 Lu 0.33151010836965 0.12500000000000 0.82589934279450 174.967 > 133 140 Lu 0.66484344170298 0.12500000000000 0.82589934279450 174.967 > 133 141 Lu 0.99817677503631 0.12500000000000 0.82589934279450 174.967 > 133 142 Lu 0.33151010836965 0.62500000000000 0.82589934279450 174.967 > 133 143 Lu 0.66484344170298 0.62500000000000 0.82589934279450 174.967 > 133 144 Lu 0.99817677503631 0.62500000000000 0.82589934279450 174.967 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 17.4779006 0.0000000 -1.0193852 0.0000000 15.1933760 0.0000000 -1.0193825 0.0000000 16.3648440 -------------------------- Born effective charges -------------------------- 1 P -1.1304509 0.0000000 0.1601012 0.0000000 -0.7745988 0.0000000 0.4740518 0.0000000 -0.7736982 2 P -1.1304509 0.0000000 0.1601012 0.0000000 -0.7745988 0.0000000 0.4740518 0.0000000 -0.7736982 3 P 0.0153204 -0.4733817 -0.5645952 -0.5983390 0.4727608 -0.2487637 -0.5708427 0.0908140 0.6801047 4 P 0.0153204 0.4733817 -0.5645952 0.5983390 0.4727608 0.2487637 -0.5708427 -0.0908140 0.6801047 5 P 0.0153204 -0.4733817 -0.5645952 -0.5983390 0.4727608 -0.2487637 -0.5708427 0.0908140 0.6801047 6 P 0.0153204 0.4733817 -0.5645952 0.5983390 0.4727608 0.2487637 -0.5708427 -0.0908140 0.6801047 7 P -0.8426472 0.2826501 0.4386865 0.2417360 -1.2257070 0.3281022 0.1526782 -0.0652471 -1.0304382 8 P -0.8426472 -0.2826501 0.4386865 -0.2417360 -1.2257070 -0.3281022 0.1526782 0.0652471 -1.0304382 9 P -0.8426472 0.2826501 0.4386865 0.2417360 -1.2257070 0.3281022 0.1526782 -0.0652471 -1.0304382 10 P -0.8426472 -0.2826501 0.4386865 -0.2417360 -1.2257070 -0.3281022 0.1526782 0.0652471 -1.0304382 11 Lu 2.7851044 0.0000000 0.0917163 0.0000000 2.2804912 0.0000000 0.3622772 0.0000000 1.4743653 12 Lu 2.7851044 0.0000000 0.0917163 0.0000000 2.2804912 0.0000000 0.3622772 0.0000000 1.4743653 ---------------------------------------------------------------------------- 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 73, 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 23:36:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:23]------------------------- 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_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.811264360257733 0.000000000000000 0.000000000000000 b 0.000000000000000 9.223422009999998 0.000000000000000 c -1.172515090889694 0.000000000000000 5.088619923909432 Atomic positions (fractional): 1 P 0.26139679651385 0.75000000000000 0.89129786357167 30.974 2 P 0.73860320348616 0.25000000000000 0.10870213642833 30.974 3 P 0.61908556475302 0.59431574222403 0.96072556160618 30.974 4 P 0.38091443524698 0.09431574222403 0.03927443839382 30.974 5 P 0.38091443524698 0.40568425777597 0.03927443839382 30.974 6 P 0.61908556475302 0.90568425777597 0.96072556160618 30.974 7 P 0.72198137045013 0.52968886659970 0.59389959044690 30.974 8 P 0.27801862954987 0.02968886659970 0.40610040955310 30.974 9 P 0.27801862954987 0.47031113340030 0.40610040955310 30.974 10 P 0.72198137045013 0.97031113340030 0.59389959044690 30.974 11 Lu 0.00546967489106 0.75000000000000 0.34820131441100 174.967 12 Lu 0.99453032510894 0.25000000000000 0.65179868558900 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.433793080773199 0.000000000000000 0.000000000000000 b 0.000000000000000 18.446844019999997 0.000000000000000 c -2.345030181779388 0.000000000000000 10.177239847818864 Atomic positions (fractional): 1 P 0.08713226550462 0.37500000000000 0.44564893178584 30.974 > 1 2 P 0.42046559883795 0.37500000000000 0.44564893178584 30.974 > 1 3 P 0.75379893217128 0.37500000000000 0.44564893178584 30.974 > 1 4 P 0.08713226550462 0.87500000000000 0.44564893178584 30.974 > 1 5 P 0.42046559883795 0.87500000000000 0.44564893178584 30.974 > 1 6 P 0.75379893217128 0.87500000000000 0.44564893178584 30.974 > 1 7 P 0.08713226550462 0.37500000000000 0.94564893178584 30.974 > 1 8 P 0.42046559883795 0.37500000000000 0.94564893178584 30.974 > 1 9 P 0.75379893217128 0.37500000000000 0.94564893178584 30.974 > 1 10 P 0.08713226550462 0.87500000000000 0.94564893178584 30.974 > 1 11 P 0.42046559883795 0.87500000000000 0.94564893178584 30.974 > 1 12 P 0.75379893217128 0.87500000000000 0.94564893178584 30.974 > 1 13 P 0.24620106782872 0.12500000000000 0.05435106821416 30.974 > 13 14 P 0.57953440116205 0.12500000000000 0.05435106821416 30.974 > 13 15 P 0.91286773449538 0.12500000000000 0.05435106821416 30.974 > 13 16 P 0.24620106782872 0.62500000000000 0.05435106821416 30.974 > 13 17 P 0.57953440116205 0.62500000000000 0.05435106821416 30.974 > 13 18 P 0.91286773449538 0.62500000000000 0.05435106821416 30.974 > 13 19 P 0.24620106782872 0.12500000000000 0.55435106821416 30.974 > 13 20 P 0.57953440116205 0.12500000000000 0.55435106821416 30.974 > 13 21 P 0.91286773449538 0.12500000000000 0.55435106821416 30.974 > 13 22 P 0.24620106782872 0.62500000000000 0.55435106821416 30.974 > 13 23 P 0.57953440116205 0.62500000000000 0.55435106821416 30.974 > 13 24 P 0.91286773449538 0.62500000000000 0.55435106821416 30.974 > 13 25 P 0.20636185491767 0.29715787111202 0.48036278080309 30.974 > 25 26 P 0.53969518825101 0.29715787111202 0.48036278080309 30.974 > 25 27 P 0.87302852158434 0.29715787111202 0.48036278080309 30.974 > 25 28 P 0.20636185491767 0.79715787111202 0.48036278080309 30.974 > 25 29 P 0.53969518825101 0.79715787111202 0.48036278080309 30.974 > 25 30 P 0.87302852158434 0.79715787111202 0.48036278080309 30.974 > 25 31 P 0.20636185491767 0.29715787111202 0.98036278080309 30.974 > 25 32 P 0.53969518825101 0.29715787111202 0.98036278080309 30.974 > 25 33 P 0.87302852158434 0.29715787111202 0.98036278080309 30.974 > 25 34 P 0.20636185491767 0.79715787111202 0.98036278080309 30.974 > 25 35 P 0.53969518825101 0.79715787111202 0.98036278080309 30.974 > 25 36 P 0.87302852158434 0.79715787111202 0.98036278080309 30.974 > 25 37 P 0.12697147841566 0.04715787111202 0.01963721919691 30.974 > 37 38 P 0.46030481174899 0.04715787111202 0.01963721919691 30.974 > 37 39 P 0.79363814508233 0.04715787111202 0.01963721919691 30.974 > 37 40 P 0.12697147841566 0.54715787111202 0.01963721919691 30.974 > 37 41 P 0.46030481174899 0.54715787111202 0.01963721919691 30.974 > 37 42 P 0.79363814508233 0.54715787111202 0.01963721919691 30.974 > 37 43 P 0.12697147841566 0.04715787111202 0.51963721919691 30.974 > 37 44 P 0.46030481174899 0.04715787111202 0.51963721919691 30.974 > 37 45 P 0.79363814508233 0.04715787111202 0.51963721919691 30.974 > 37 46 P 0.12697147841566 0.54715787111202 0.51963721919691 30.974 > 37 47 P 0.46030481174899 0.54715787111202 0.51963721919691 30.974 > 37 48 P 0.79363814508233 0.54715787111202 0.51963721919691 30.974 > 37 49 P 0.12697147841566 0.20284212888798 0.01963721919691 30.974 > 49 50 P 0.46030481174899 0.20284212888798 0.01963721919691 30.974 > 49 51 P 0.79363814508233 0.20284212888798 0.01963721919691 30.974 > 49 52 P 0.12697147841566 0.70284212888798 0.01963721919691 30.974 > 49 53 P 0.46030481174899 0.70284212888798 0.01963721919691 30.974 > 49 54 P 0.79363814508233 0.70284212888798 0.01963721919691 30.974 > 49 55 P 0.12697147841566 0.20284212888798 0.51963721919691 30.974 > 49 56 P 0.46030481174899 0.20284212888798 0.51963721919691 30.974 > 49 57 P 0.79363814508233 0.20284212888798 0.51963721919691 30.974 > 49 58 P 0.12697147841566 0.70284212888798 0.51963721919691 30.974 > 49 59 P 0.46030481174899 0.70284212888798 0.51963721919691 30.974 > 49 60 P 0.79363814508233 0.70284212888798 0.51963721919691 30.974 > 49 61 P 0.20636185491767 0.45284212888798 0.48036278080309 30.974 > 61 62 P 0.53969518825101 0.45284212888798 0.48036278080309 30.974 > 61 63 P 0.87302852158434 0.45284212888798 0.48036278080309 30.974 > 61 64 P 0.20636185491767 0.95284212888798 0.48036278080309 30.974 > 61 65 P 0.53969518825101 0.95284212888798 0.48036278080309 30.974 > 61 66 P 0.87302852158434 0.95284212888798 0.48036278080309 30.974 > 61 67 P 0.20636185491767 0.45284212888798 0.98036278080309 30.974 > 61 68 P 0.53969518825101 0.45284212888798 0.98036278080309 30.974 > 61 69 P 0.87302852158434 0.45284212888798 0.98036278080309 30.974 > 61 70 P 0.20636185491767 0.95284212888798 0.98036278080309 30.974 > 61 71 P 0.53969518825101 0.95284212888798 0.98036278080309 30.974 > 61 72 P 0.87302852158434 0.95284212888798 0.98036278080309 30.974 > 61 73 P 0.24066045681671 0.26484443329985 0.29694979522345 30.974 > 73 74 P 0.57399379015004 0.26484443329985 0.29694979522345 30.974 > 73 75 P 0.90732712348338 0.26484443329985 0.29694979522345 30.974 > 73 76 P 0.24066045681671 0.76484443329985 0.29694979522345 30.974 > 73 77 P 0.57399379015004 0.76484443329985 0.29694979522345 30.974 > 73 78 P 0.90732712348338 0.76484443329985 0.29694979522345 30.974 > 73 79 P 0.24066045681671 0.26484443329985 0.79694979522345 30.974 > 73 80 P 0.57399379015004 0.26484443329985 0.79694979522345 30.974 > 73 81 P 0.90732712348338 0.26484443329985 0.79694979522345 30.974 > 73 82 P 0.24066045681671 0.76484443329985 0.79694979522345 30.974 > 73 83 P 0.57399379015004 0.76484443329985 0.79694979522345 30.974 > 73 84 P 0.90732712348338 0.76484443329985 0.79694979522345 30.974 > 73 85 P 0.09267287651662 0.01484443329985 0.20305020477655 30.974 > 85 86 P 0.42600620984996 0.01484443329985 0.20305020477655 30.974 > 85 87 P 0.75933954318329 0.01484443329985 0.20305020477655 30.974 > 85 88 P 0.09267287651662 0.51484443329985 0.20305020477655 30.974 > 85 89 P 0.42600620984996 0.51484443329985 0.20305020477655 30.974 > 85 90 P 0.75933954318329 0.51484443329985 0.20305020477655 30.974 > 85 91 P 0.09267287651662 0.01484443329985 0.70305020477655 30.974 > 85 92 P 0.42600620984996 0.01484443329985 0.70305020477655 30.974 > 85 93 P 0.75933954318329 0.01484443329985 0.70305020477655 30.974 > 85 94 P 0.09267287651662 0.51484443329985 0.70305020477655 30.974 > 85 95 P 0.42600620984996 0.51484443329985 0.70305020477655 30.974 > 85 96 P 0.75933954318329 0.51484443329985 0.70305020477655 30.974 > 85 97 P 0.09267287651662 0.23515556670015 0.20305020477655 30.974 > 97 98 P 0.42600620984996 0.23515556670015 0.20305020477655 30.974 > 97 99 P 0.75933954318329 0.23515556670015 0.20305020477655 30.974 > 97 100 P 0.09267287651662 0.73515556670015 0.20305020477655 30.974 > 97 101 P 0.42600620984996 0.73515556670015 0.20305020477655 30.974 > 97 102 P 0.75933954318329 0.73515556670015 0.20305020477655 30.974 > 97 103 P 0.09267287651662 0.23515556670015 0.70305020477655 30.974 > 97 104 P 0.42600620984996 0.23515556670015 0.70305020477655 30.974 > 97 105 P 0.75933954318329 0.23515556670015 0.70305020477655 30.974 > 97 106 P 0.09267287651662 0.73515556670015 0.70305020477655 30.974 > 97 107 P 0.42600620984996 0.73515556670015 0.70305020477655 30.974 > 97 108 P 0.75933954318329 0.73515556670015 0.70305020477655 30.974 > 97 109 P 0.24066045681671 0.48515556670015 0.29694979522345 30.974 > 109 110 P 0.57399379015004 0.48515556670015 0.29694979522345 30.974 > 109 111 P 0.90732712348338 0.48515556670015 0.29694979522345 30.974 > 109 112 P 0.24066045681671 0.98515556670015 0.29694979522345 30.974 > 109 113 P 0.57399379015004 0.98515556670015 0.29694979522345 30.974 > 109 114 P 0.90732712348338 0.98515556670015 0.29694979522345 30.974 > 109 115 P 0.24066045681671 0.48515556670015 0.79694979522345 30.974 > 109 116 P 0.57399379015004 0.48515556670015 0.79694979522345 30.974 > 109 117 P 0.90732712348338 0.48515556670015 0.79694979522345 30.974 > 109 118 P 0.24066045681671 0.98515556670015 0.79694979522345 30.974 > 109 119 P 0.57399379015004 0.98515556670015 0.79694979522345 30.974 > 109 120 P 0.90732712348338 0.98515556670015 0.79694979522345 30.974 > 109 121 Lu 0.00182322496369 0.37500000000000 0.17410065720550 174.967 > 121 122 Lu 0.33515655829702 0.37500000000000 0.17410065720550 174.967 > 121 123 Lu 0.66848989163035 0.37500000000000 0.17410065720550 174.967 > 121 124 Lu 0.00182322496369 0.87500000000000 0.17410065720550 174.967 > 121 125 Lu 0.33515655829702 0.87500000000000 0.17410065720550 174.967 > 121 126 Lu 0.66848989163035 0.87500000000000 0.17410065720550 174.967 > 121 127 Lu 0.00182322496369 0.37500000000000 0.67410065720550 174.967 > 121 128 Lu 0.33515655829702 0.37500000000000 0.67410065720550 174.967 > 121 129 Lu 0.66848989163035 0.37500000000000 0.67410065720550 174.967 > 121 130 Lu 0.00182322496369 0.87500000000000 0.67410065720550 174.967 > 121 131 Lu 0.33515655829702 0.87500000000000 0.67410065720550 174.967 > 121 132 Lu 0.66848989163035 0.87500000000000 0.67410065720550 174.967 > 121 133 Lu 0.33151010836965 0.12500000000000 0.32589934279450 174.967 > 133 134 Lu 0.66484344170298 0.12500000000000 0.32589934279450 174.967 > 133 135 Lu 0.99817677503631 0.12500000000000 0.32589934279450 174.967 > 133 136 Lu 0.33151010836965 0.62500000000000 0.32589934279450 174.967 > 133 137 Lu 0.66484344170298 0.62500000000000 0.32589934279450 174.967 > 133 138 Lu 0.99817677503631 0.62500000000000 0.32589934279450 174.967 > 133 139 Lu 0.33151010836965 0.12500000000000 0.82589934279450 174.967 > 133 140 Lu 0.66484344170298 0.12500000000000 0.82589934279450 174.967 > 133 141 Lu 0.99817677503631 0.12500000000000 0.82589934279450 174.967 > 133 142 Lu 0.33151010836965 0.62500000000000 0.82589934279450 174.967 > 133 143 Lu 0.66484344170298 0.62500000000000 0.82589934279450 174.967 > 133 144 Lu 0.99817677503631 0.62500000000000 0.82589934279450 174.967 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 17.4779006 0.0000000 -1.0193852 0.0000000 15.1933760 0.0000000 -1.0193825 0.0000000 16.3648440 -------------------------- Born effective charges -------------------------- 1 P -1.1304509 0.0000000 0.1601012 0.0000000 -0.7745988 0.0000000 0.4740518 0.0000000 -0.7736982 2 P -1.1304509 0.0000000 0.1601012 0.0000000 -0.7745988 0.0000000 0.4740518 0.0000000 -0.7736982 3 P 0.0153204 -0.4733817 -0.5645952 -0.5983390 0.4727608 -0.2487637 -0.5708427 0.0908140 0.6801047 4 P 0.0153204 0.4733817 -0.5645952 0.5983390 0.4727608 0.2487637 -0.5708427 -0.0908140 0.6801047 5 P 0.0153204 -0.4733817 -0.5645952 -0.5983390 0.4727608 -0.2487637 -0.5708427 0.0908140 0.6801047 6 P 0.0153204 0.4733817 -0.5645952 0.5983390 0.4727608 0.2487637 -0.5708427 -0.0908140 0.6801047 7 P -0.8426472 0.2826501 0.4386865 0.2417360 -1.2257070 0.3281022 0.1526782 -0.0652471 -1.0304382 8 P -0.8426472 -0.2826501 0.4386865 -0.2417360 -1.2257070 -0.3281022 0.1526782 0.0652471 -1.0304382 9 P -0.8426472 0.2826501 0.4386865 0.2417360 -1.2257070 0.3281022 0.1526782 -0.0652471 -1.0304382 10 P -0.8426472 -0.2826501 0.4386865 -0.2417360 -1.2257070 -0.3281022 0.1526782 0.0652471 -1.0304382 11 Lu 2.7851044 0.0000000 0.0917163 0.0000000 2.2804912 0.0000000 0.3622772 0.0000000 1.4743653 12 Lu 2.7851044 0.0000000 0.0917163 0.0000000 2.2804912 0.0000000 0.3622772 0.0000000 1.4743653 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zxz) 0.00000002 (zxz) 0.00000002 (zzx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 11 5 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: 0.68, Number of G-points: 319, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 4.248 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.699 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.955 ( 0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.741 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.813 ( 0.000 0.000 0.000) 0.000 12.895 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 13.887 ( 0.000 0.000 0.000) 0.000 14.129 ( 0.000 0.000 0.000) 0.000 14.209 ( 0.000 0.000 0.000) 0.000 14.457 ( 0.000 0.000 0.000) 0.000 14.933 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 30.955 0.000 -2.567) 31.062 0.598 ( 28.738 0.000 8.892) 30.082 0.913 ( 46.705 0.000 -0.737) 46.711 2.374 ( -0.283 0.000 1.106) 1.141 2.664 ( 0.749 0.000 1.628) 1.792 3.164 ( -13.487 0.000 -10.074) 16.834 3.370 ( -5.548 0.000 7.249) 9.128 3.793 ( 4.392 0.000 -2.119) 4.876 3.865 ( -4.071 0.000 -1.410) 4.309 4.262 ( -4.022 0.000 -0.386) 4.040 4.329 ( 3.723 0.000 -3.165) 4.887 4.479 ( 4.725 0.000 3.703) 6.003 5.517 ( -3.689 0.000 -3.043) 4.782 5.847 ( 1.051 0.000 0.619) 1.220 6.172 ( -1.615 0.000 -0.959) 1.879 6.307 ( 1.601 0.000 2.137) 2.671 6.663 ( -3.917 0.000 1.530) 4.205 6.966 ( -2.028 0.000 -0.016) 2.028 7.537 ( 4.262 0.000 0.571) 4.300 7.691 ( -2.747 0.000 2.342) 3.610 7.891 ( -2.067 0.000 -6.815) 7.122 8.177 ( 7.050 0.000 4.744) 8.498 8.204 ( -3.146 0.000 0.621) 3.207 8.662 ( 3.577 0.000 -0.807) 3.667 11.708 ( -0.467 0.000 -0.208) 0.512 12.185 ( 0.895 0.000 -0.312) 0.948 12.733 ( 0.232 0.000 -1.756) 1.771 12.775 ( 0.204 0.000 1.300) 1.316 12.856 ( 2.859 0.000 2.112) 3.554 12.892 ( -0.261 0.000 0.570) 0.627 13.667 ( 0.225 0.000 0.198) 0.300 13.901 ( 1.213 0.000 0.763) 1.433 14.144 ( -0.498 0.000 -5.714) 5.736 14.229 ( 1.321 0.000 -0.187) 1.334 14.453 ( -0.395 0.000 -0.192) 0.439 14.926 ( -0.540 0.000 -0.704) 0.887 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 29.446 0.000 -2.049) 29.517 1.147 ( 24.739 0.000 8.829) 26.268 1.721 ( 38.174 0.000 -2.191) 38.237 2.372 ( -0.664 0.000 2.788) 2.865 2.698 ( 1.987 0.000 2.616) 3.285 2.797 ( -18.673 0.000 -8.344) 20.453 3.329 ( -2.906 0.000 4.717) 5.540 3.724 ( -9.746 0.000 -0.497) 9.758 3.762 ( -6.106 0.000 -2.967) 6.789 4.241 ( 1.379 0.000 2.127) 2.535 4.451 ( 11.093 0.000 -6.083) 12.651 4.588 ( 5.324 0.000 2.766) 5.999 5.401 ( -6.130 0.000 -6.365) 8.837 5.864 ( 0.022 0.000 0.892) 0.892 6.133 ( -1.713 0.000 -1.422) 2.226 6.353 ( 1.391 0.000 2.794) 3.121 6.587 ( -4.294 0.000 3.851) 5.768 6.899 ( -5.064 0.000 -0.839) 5.133 7.640 ( 5.824 0.000 0.412) 5.838 7.660 ( -1.801 0.000 4.159) 4.532 7.845 ( 1.052 0.000 -8.391) 8.457 8.126 ( -5.150 0.000 1.238) 5.296 8.319 ( 5.365 0.000 3.758) 6.550 8.750 ( 5.937 0.000 -1.142) 6.046 11.693 ( -0.956 0.000 -0.365) 1.023 12.207 ( 1.544 0.000 -0.529) 1.632 12.747 ( 1.941 0.000 -1.366) 2.374 12.785 ( 0.012 0.000 1.839) 1.839 12.872 ( -0.726 0.000 -0.724) 1.026 12.932 ( 2.627 0.000 3.071) 4.041 13.678 ( 0.805 0.000 0.544) 0.972 13.934 ( 1.667 0.000 1.165) 2.034 14.117 ( -0.323 0.000 -2.342) 2.365 14.245 ( 0.286 0.000 0.443) 0.528 14.441 ( -0.680 0.000 -0.305) 0.746 14.908 ( -0.840 0.000 -1.147) 1.422 ======================= Grid point 3 (4/168) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 17.991 0.000 7.691) 19.566 1.666 ( 26.622 0.000 -1.232) 26.651 2.227 ( 10.711 0.000 -3.817) 11.371 2.433 ( -15.920 0.000 -5.722) 16.917 2.442 ( 11.711 0.000 2.245) 11.925 2.775 ( 5.479 0.000 4.335) 6.987 3.292 ( -2.888 0.000 3.677) 4.675 3.539 ( -9.192 0.000 2.628) 9.560 3.573 ( -11.385 0.000 -3.899) 12.034 4.319 ( 5.501 0.000 2.071) 5.878 4.671 ( 14.413 0.000 -6.526) 15.821 4.694 ( 4.341 0.000 1.273) 4.524 5.251 ( -5.917 0.000 -6.798) 9.012 5.843 ( -3.000 0.000 1.136) 3.207 6.105 ( -0.419 0.000 -1.372) 1.434 6.340 ( -3.856 0.000 1.200) 4.039 6.584 ( 1.943 0.000 6.243) 6.538 6.770 ( -7.690 0.000 -1.873) 7.915 7.644 ( -2.066 0.000 3.421) 3.996 7.734 ( 3.287 0.000 -0.108) 3.289 7.880 ( 6.599 0.000 -7.283) 9.828 8.040 ( -3.914 0.000 1.604) 4.230 8.398 ( 1.252 0.000 3.105) 3.347 8.864 ( 6.196 0.000 -0.883) 6.259 11.670 ( -1.250 0.000 -0.407) 1.315 12.236 ( 1.720 0.000 -0.595) 1.820 12.784 ( 1.655 0.000 0.529) 1.738 12.788 ( -0.459 0.000 1.518) 1.585 12.854 ( 0.091 0.000 -2.668) 2.669 12.981 ( 1.041 0.000 2.867) 3.050 13.701 ( 1.272 0.000 0.821) 1.514 13.970 ( 1.466 0.000 1.157) 1.868 14.114 ( 0.775 0.000 -0.873) 1.167 14.244 ( -0.641 0.000 0.443) 0.779 14.426 ( -0.769 0.000 -0.300) 0.825 14.887 ( -0.814 0.000 -1.189) 1.441 ======================= Grid point 4 (5/168) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 8.640 0.000 4.599) 9.788 2.121 ( 19.236 0.000 -4.209) 19.691 2.170 ( -7.421 0.000 1.322) 7.538 2.268 ( 0.118 0.000 0.588) 0.600 2.638 ( 6.593 0.000 -5.444) 8.550 2.971 ( 10.699 0.000 6.879) 12.719 3.258 ( -2.261 0.000 2.542) 3.402 3.324 ( -12.441 0.000 -3.862) 13.026 3.421 ( -5.236 0.000 5.658) 7.710 4.448 ( 6.946 0.000 0.357) 6.955 4.731 ( -0.440 0.000 -2.703) 2.739 4.916 ( 13.640 0.000 -5.101) 14.563 5.153 ( -1.684 0.000 -2.692) 3.176 5.759 ( -6.193 0.000 1.367) 6.342 6.105 ( 0.787 0.000 -0.928) 1.217 6.260 ( -4.091 0.000 0.784) 4.166 6.613 ( -7.282 0.000 -1.931) 7.534 6.672 ( 3.741 0.000 4.900) 6.165 7.615 ( -1.816 0.000 1.301) 2.234 7.743 ( -1.960 0.000 0.067) 1.961 8.014 ( 9.629 0.000 -4.868) 10.789 8.016 ( 0.569 0.000 0.944) 1.102 8.394 ( -2.998 0.000 2.817) 4.114 8.963 ( 4.374 0.000 -0.458) 4.398 11.646 ( -1.089 0.000 -0.314) 1.134 12.263 ( 1.339 0.000 -0.476) 1.421 12.782 ( -0.687 0.000 0.830) 1.077 12.790 ( -1.228 0.000 1.479) 1.922 12.874 ( 3.098 0.000 -3.732) 4.850 12.996 ( -0.691 0.000 2.620) 2.710 13.729 ( 1.158 0.000 0.757) 1.384 13.997 ( 0.953 0.000 0.823) 1.259 14.135 ( 1.534 0.000 -0.088) 1.536 14.227 ( -1.211 0.000 0.163) 1.222 14.411 ( -0.613 0.000 -0.202) 0.646 14.869 ( -0.548 0.000 -0.860) 1.019 ======================= Grid point 5 (6/168) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 1.562 0.000 1.240) 1.994 2.028 ( -3.312 0.000 -1.120) 3.496 2.279 ( 0.523 0.000 0.457) 0.695 2.467 ( 11.917 0.000 1.132) 11.970 2.696 ( 2.012 0.000 -2.433) 3.157 3.083 ( -8.870 0.000 -2.353) 9.176 3.147 ( 4.392 0.000 3.229) 5.451 3.247 ( -0.626 0.000 1.058) 1.229 3.378 ( -1.644 0.000 2.885) 3.321 4.553 ( 3.302 0.000 -0.275) 3.314 4.688 ( -1.473 0.000 -2.318) 2.746 5.110 ( 7.172 0.000 -2.239) 7.513 5.143 ( 0.235 0.000 -0.078) 0.248 5.648 ( -4.733 0.000 0.924) 4.822 6.118 ( 0.588 0.000 -0.300) 0.660 6.209 ( -1.489 0.000 0.293) 1.518 6.504 ( -3.047 0.000 -0.809) 3.153 6.742 ( 1.665 0.000 1.825) 2.470 7.594 ( -0.641 0.000 0.303) 0.709 7.702 ( -1.527 0.000 0.145) 1.534 8.038 ( 0.795 0.000 0.208) 0.822 8.175 ( 8.605 0.000 -3.498) 9.288 8.317 ( -6.086 0.000 2.879) 6.733 9.018 ( 1.523 0.000 -0.133) 1.529 11.629 ( -0.435 0.000 -0.118) 0.451 12.280 ( 0.506 0.000 -0.183) 0.538 12.773 ( -0.347 0.000 0.246) 0.426 12.774 ( -0.637 0.000 0.400) 0.752 12.914 ( 2.008 0.000 -1.989) 2.827 12.985 ( -1.122 0.000 1.681) 2.021 13.747 ( 0.463 0.000 0.308) 0.556 14.012 ( 0.328 0.000 0.294) 0.440 14.166 ( 1.515 0.000 0.182) 1.526 14.202 ( -1.352 0.000 -0.106) 1.356 14.402 ( -0.236 0.000 -0.068) 0.246 14.859 ( -0.187 0.000 -0.309) 0.361 ======================= Grid point 11 (7/168) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 27.438 0.000) 27.438 0.694 ( 0.000 31.473 0.000) 31.473 1.260 ( 0.000 53.388 0.000) 53.388 2.244 ( 0.000 -13.000 0.000) 13.000 2.364 ( 0.000 -20.415 0.000) 20.415 3.339 ( 0.000 -13.745 0.000) 13.745 3.446 ( 0.000 7.414 0.000) 7.414 3.779 ( 0.000 -2.293 0.000) 2.293 3.797 ( 0.000 7.775 0.000) 7.775 4.218 ( 0.000 -2.770 0.000) 2.770 4.253 ( 0.000 9.568 0.000) 9.568 4.689 ( 0.000 17.928 0.000) 17.928 5.479 ( 0.000 -6.981 0.000) 6.981 5.707 ( 0.000 -10.890 0.000) 10.890 6.247 ( 0.000 4.520 0.000) 4.520 6.378 ( 0.000 6.667 0.000) 6.667 6.862 ( 0.000 -2.909 0.000) 2.909 7.067 ( 0.000 4.800 0.000) 4.800 7.401 ( 0.000 -6.839 0.000) 6.839 7.650 ( 0.000 -8.168 0.000) 8.168 7.960 ( 0.000 0.462 0.000) 0.462 8.023 ( 0.000 -1.777 0.000) 1.777 8.276 ( 0.000 3.693 0.000) 3.693 8.597 ( 0.000 -2.890 0.000) 2.890 11.772 ( 0.000 5.285 0.000) 5.285 12.203 ( 0.000 -3.261 0.000) 3.261 12.739 ( 0.000 0.180 0.000) 0.180 12.794 ( 0.000 1.736 0.000) 1.736 12.801 ( 0.000 -0.956 0.000) 0.956 12.887 ( 0.000 -0.721 0.000) 0.721 13.702 ( 0.000 3.259 0.000) 3.259 13.894 ( 0.000 -0.264 0.000) 0.264 14.125 ( 0.000 -0.312 0.000) 0.312 14.186 ( 0.000 -1.930 0.000) 1.930 14.492 ( 0.000 3.209 0.000) 3.209 14.874 ( 0.000 -5.096 0.000) 5.096 ======================= Grid point 12 (8/168) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 15.992 19.105 4.294) 25.282 0.925 ( 21.438 21.267 -0.534) 30.202 1.541 ( 25.193 42.028 0.735) 49.006 2.235 ( -1.026 -13.774 0.587) 13.824 2.380 ( 1.442 -18.524 0.954) 18.605 3.225 ( -10.061 -6.367 0.453) 11.915 3.423 ( -2.505 9.172 -0.659) 9.530 3.779 ( -0.025 -4.400 -2.108) 4.879 3.907 ( 5.408 5.700 0.057) 7.857 4.197 ( 0.632 1.921 -1.260) 2.382 4.288 ( 1.451 -0.220 0.029) 1.468 4.696 ( 1.008 15.957 0.590) 15.999 5.444 ( -2.992 -6.619 -3.278) 7.970 5.721 ( 1.069 -10.925 0.688) 10.999 6.223 ( -2.222 4.029 -0.824) 4.674 6.374 ( -0.530 4.814 0.792) 4.907 6.756 ( -7.525 3.946 1.421) 8.615 7.028 ( -2.096 5.477 -0.493) 5.885 7.445 ( 3.667 -6.878 1.810) 8.002 7.641 ( -1.440 -8.546 -0.054) 8.666 7.880 ( -3.220 1.094 -4.514) 5.652 8.076 ( 0.408 -4.751 2.143) 5.228 8.310 ( 3.722 5.637 1.581) 6.938 8.632 ( 3.763 -2.647 -0.709) 4.655 11.767 ( -0.469 5.270 -0.276) 5.298 12.182 ( -0.741 -1.971 -0.656) 2.206 12.737 ( 0.473 0.566 -0.926) 1.184 12.793 ( -0.059 1.351 0.889) 1.618 12.839 ( 2.686 -1.311 2.036) 3.616 12.881 ( -0.586 -0.831 0.261) 1.049 13.705 ( 0.381 3.364 0.133) 3.388 13.901 ( 0.778 -0.324 0.559) 1.012 14.129 ( 0.239 -0.677 -2.766) 2.858 14.201 ( 1.224 -2.111 0.755) 2.555 14.488 ( -0.409 3.178 -0.296) 3.218 14.867 ( -0.507 -5.066 -0.684) 5.137 ======================= Grid point 13 (9/168) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 21.893 8.157 5.562) 24.016 1.371 ( 24.165 12.492 -0.218) 27.204 2.045 ( 21.450 19.707 -0.861) 29.141 2.233 ( 4.172 -7.948 1.903) 9.176 2.416 ( 1.545 -12.990 1.365) 13.153 3.028 ( -9.326 5.627 -1.451) 10.988 3.358 ( -4.475 4.969 2.171) 7.031 3.685 ( -8.350 -3.122 0.124) 8.916 3.927 ( -3.926 13.996 -2.789) 14.801 4.252 ( 4.963 1.720 0.712) 5.301 4.365 ( 9.205 -5.205 -3.156) 11.036 4.735 ( 2.788 11.310 0.344) 11.654 5.344 ( -5.175 -5.214 -5.789) 9.353 5.742 ( 0.457 -10.671 0.959) 10.724 6.167 ( -2.896 2.710 -1.257) 4.161 6.353 ( -2.368 -0.532 0.354) 2.453 6.661 ( -3.686 6.843 3.581) 8.558 6.978 ( -3.413 6.766 -0.127) 7.579 7.539 ( 3.832 -7.179 4.091) 9.108 7.601 ( -1.080 -9.214 -2.442) 9.593 7.834 ( 0.417 0.855 -4.551) 4.650 8.042 ( -3.463 -5.287 0.973) 6.394 8.410 ( 4.764 6.101 2.540) 8.147 8.723 ( 5.904 -2.380 -0.777) 6.413 11.752 ( -0.934 5.273 -0.452) 5.374 12.181 ( 0.718 -2.782 -0.733) 2.965 12.757 ( 1.897 0.948 -0.446) 2.167 12.796 ( -0.231 0.948 1.405) 1.711 12.864 ( -0.926 -0.692 -0.454) 1.242 12.905 ( 2.633 -2.234 2.590) 4.316 13.719 ( 0.923 3.503 0.377) 3.642 13.926 ( 1.379 -0.885 0.785) 1.817 14.120 ( 0.103 0.350 -1.311) 1.360 14.223 ( 0.535 -1.912 0.718) 2.112 14.475 ( -0.675 3.120 -0.487) 3.229 14.850 ( -0.781 -4.982 -1.121) 5.166 ======================= Grid point 14 (10/168) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 18.929 3.331 5.652) 20.034 1.806 ( 21.643 7.304 -0.165) 22.843 2.130 ( -0.540 -8.751 -0.903) 8.814 2.416 ( -0.619 -4.763 0.073) 4.804 2.576 ( 17.413 13.775 -0.074) 22.203 2.900 ( -3.082 8.418 1.000) 9.020 3.282 ( -4.654 0.473 3.316) 5.734 3.520 ( -8.523 -1.599 2.455) 9.013 3.776 ( -9.181 18.449 -2.370) 20.743 4.376 ( 7.597 4.187 0.494) 8.689 4.573 ( 12.407 -5.337 -3.915) 14.062 4.797 ( 3.845 6.214 -1.334) 7.428 5.219 ( -4.550 -2.731 -5.832) 7.885 5.733 ( -2.238 -9.892 1.173) 10.210 6.115 ( -1.784 0.924 -1.183) 2.332 6.286 ( -4.387 -3.936 -0.146) 5.896 6.626 ( -2.521 4.927 2.720) 6.167 6.909 ( -3.283 10.597 1.132) 11.151 7.523 ( -3.338 -11.292 0.515) 11.786 7.682 ( 6.697 -7.825 0.334) 10.305 7.820 ( -1.669 -0.511 -1.943) 2.612 8.011 ( 1.672 -2.467 -1.337) 3.266 8.484 ( 1.671 6.384 2.470) 7.046 8.835 ( 5.762 -2.639 -0.435) 6.353 11.729 ( -1.174 5.356 -0.478) 5.504 12.196 ( 1.150 -3.770 -0.710) 4.005 12.789 ( 0.009 0.307 1.475) 1.507 12.799 ( 0.452 1.010 1.210) 1.639 12.847 ( 0.392 -0.520 -2.469) 2.554 12.955 ( 1.356 -2.197 2.425) 3.542 13.742 ( 1.226 3.448 0.584) 3.706 13.955 ( 1.322 -1.348 0.748) 2.031 14.126 ( 0.889 0.989 -0.201) 1.344 14.227 ( -0.331 -1.397 0.645) 1.573 14.459 ( -0.718 3.097 -0.519) 3.221 14.830 ( -0.742 -4.870 -1.175) 5.064 ======================= Grid point 15 (11/168) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 10.236 3.186 3.716) 11.347 2.107 ( 4.328 -2.960 3.073) 6.078 2.225 ( 16.928 3.808 -3.894) 17.782 2.367 ( -3.594 4.252 -0.167) 5.570 2.743 ( 2.669 9.497 -5.563) 11.325 2.943 ( 3.017 -0.153 5.887) 6.617 3.220 ( -3.150 -2.752 3.096) 5.204 3.408 ( -4.883 -1.151 4.612) 6.814 3.614 ( -6.043 24.361 -0.575) 25.106 4.528 ( 8.002 5.899 -1.327) 10.029 4.692 ( 0.466 -3.029 -3.165) 4.406 4.917 ( 10.947 0.212 -4.037) 11.669 5.149 ( -0.947 -0.281 -2.336) 2.536 5.662 ( -5.719 -8.846 1.497) 10.640 6.094 ( 0.025 -0.742 -0.860) 1.136 6.205 ( -3.817 -4.506 0.001) 5.906 6.561 ( -4.597 2.026 -0.171) 5.027 6.890 ( 0.245 12.821 2.755) 13.116 7.467 ( -2.347 -12.884 -0.395) 13.102 7.733 ( -3.333 -9.474 0.155) 10.044 7.827 ( 5.101 0.196 0.664) 5.148 8.086 ( 6.027 -1.005 -2.863) 6.747 8.494 ( -1.535 7.609 2.141) 8.052 8.926 ( 3.788 -3.409 -0.121) 5.097 11.706 ( -0.988 5.517 -0.352) 5.616 12.214 ( 0.948 -4.553 -0.522) 4.679 12.782 ( -0.747 0.055 0.786) 1.085 12.793 ( -1.379 0.111 1.217) 1.842 12.875 ( 2.959 0.317 -2.615) 3.962 12.976 ( -0.180 -1.698 2.165) 2.757 13.766 ( 0.986 3.185 0.543) 3.378 13.980 ( 1.021 -1.550 0.550) 1.936 14.148 ( 1.322 1.046 0.268) 1.707 14.218 ( -0.884 -0.777 0.367) 1.233 14.445 ( -0.537 3.131 -0.390) 3.201 14.814 ( -0.483 -4.761 -0.858) 4.861 ======================= Grid point 16 (12/168) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 4.314 5.368 1.053) 6.967 2.150 ( -0.646 5.130 1.040) 5.274 2.309 ( -0.917 3.741 -0.351) 3.867 2.526 ( 12.817 3.500 -1.282) 13.348 2.720 ( -2.911 3.153 -2.227) 4.835 2.954 ( -2.573 -2.424 2.121) 4.123 3.191 ( -0.930 -4.014 1.137) 4.274 3.367 ( -1.533 -1.214 2.749) 3.374 3.560 ( -0.561 27.449 0.598) 27.461 4.631 ( 2.276 -0.018 -3.822) 4.448 4.659 ( -0.257 4.001 0.855) 4.099 5.095 ( 7.146 -1.153 -2.261) 7.583 5.141 ( 0.053 -0.202 -0.172) 0.271 5.555 ( -4.784 -8.370 1.132) 9.707 6.099 ( 0.488 -1.626 -0.440) 1.754 6.152 ( -1.585 -4.669 0.197) 4.935 6.486 ( -2.333 2.179 -0.414) 3.219 6.914 ( 0.675 12.014 1.303) 12.104 7.435 ( -0.824 -13.927 -0.244) 13.953 7.679 ( -1.716 -6.412 0.159) 6.639 7.906 ( 2.212 -2.028 0.351) 3.021 8.177 ( 3.665 -2.498 -1.610) 4.718 8.462 ( -1.869 9.875 1.164) 10.118 8.973 ( 1.247 -4.101 -0.010) 4.287 11.692 ( -0.386 5.656 -0.128) 5.671 12.225 ( 0.360 -4.999 -0.192) 5.016 12.773 ( -0.321 0.002 0.175) 0.365 12.776 ( -0.619 0.116 0.367) 0.729 12.914 ( 1.714 0.093 -1.382) 2.204 12.972 ( -0.759 -1.103 1.318) 1.878 13.781 ( 0.364 2.923 0.221) 2.954 13.996 ( 0.413 -1.549 0.211) 1.617 14.174 ( 1.226 0.676 0.235) 1.419 14.199 ( -1.076 -0.143 0.030) 1.086 14.437 ( -0.197 3.177 -0.145) 3.186 14.805 ( -0.161 -4.691 -0.310) 4.704 ======================= Grid point 22 (13/168) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 27.642 0.000) 27.642 1.350 ( 0.000 28.644 0.000) 28.644 1.779 ( 0.000 -26.135 0.000) 26.135 1.909 ( 0.000 -21.669 0.000) 21.669 2.267 ( 0.000 36.958 0.000) 36.958 2.929 ( 0.000 -24.213 0.000) 24.213 3.564 ( 0.000 4.970 0.000) 4.970 3.685 ( 0.000 -5.735 0.000) 5.735 3.971 ( 0.000 8.071 0.000) 8.071 4.125 ( 0.000 -5.817 0.000) 5.817 4.695 ( 0.000 26.194 0.000) 26.194 5.069 ( 0.000 16.627 0.000) 16.627 5.214 ( 0.000 -18.790 0.000) 18.790 5.408 ( 0.000 -15.131 0.000) 15.131 6.365 ( 0.000 5.836 0.000) 5.836 6.462 ( 0.000 -1.389 0.000) 1.389 6.928 ( 0.000 10.829 0.000) 10.829 7.185 ( 0.000 6.381 0.000) 6.381 7.216 ( 0.000 -11.396 0.000) 11.396 7.380 ( 0.000 -12.931 0.000) 12.931 7.975 ( 0.000 0.946 0.000) 0.946 7.998 ( 0.000 -1.023 0.000) 1.023 8.384 ( 0.000 5.856 0.000) 5.856 8.508 ( 0.000 -5.174 0.000) 5.174 11.924 ( 0.000 8.110 0.000) 8.110 12.093 ( 0.000 -6.815 0.000) 6.815 12.752 ( 0.000 0.949 0.000) 0.949 12.776 ( 0.000 -1.230 0.000) 1.230 12.833 ( 0.000 1.686 0.000) 1.686 12.865 ( 0.000 -1.262 0.000) 1.262 13.791 ( 0.000 4.465 0.000) 4.465 13.870 ( 0.000 -2.341 0.000) 2.341 14.121 ( 0.000 0.124 0.000) 0.124 14.140 ( 0.000 -1.770 0.000) 1.770 14.592 ( 0.000 5.841 0.000) 5.841 14.735 ( 0.000 -7.023 0.000) 7.023 ======================= Grid point 23 (14/168) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 6.164 24.208 1.272) 25.012 1.438 ( 9.453 24.339 0.761) 26.121 1.790 ( 0.915 -23.538 0.538) 23.562 1.950 ( 4.271 -20.644 1.444) 21.131 2.396 ( 11.790 31.920 1.680) 34.069 2.947 ( 1.064 -18.797 2.308) 18.968 3.583 ( 0.408 5.250 -0.215) 5.270 3.689 ( -1.057 -4.379 0.089) 4.506 3.994 ( 4.084 4.832 -1.835) 6.587 4.121 ( 1.281 -5.917 -2.509) 6.554 4.662 ( -3.368 25.608 -0.136) 25.829 5.026 ( -3.753 9.181 0.118) 9.919 5.222 ( 0.656 -10.858 -2.286) 11.115 5.418 ( 1.033 -15.293 -0.175) 15.328 6.327 ( -3.536 5.143 -0.910) 6.307 6.417 ( -4.183 -2.030 -0.960) 4.747 6.921 ( -1.278 13.033 1.991) 13.246 7.170 ( -0.878 7.203 -0.555) 7.277 7.247 ( 2.107 -12.964 2.788) 13.427 7.366 ( -0.682 -12.268 -2.220) 12.486 7.928 ( -3.025 2.627 -1.362) 4.231 7.990 ( -1.887 -3.254 0.305) 3.774 8.435 ( 4.718 5.779 0.786) 7.501 8.551 ( 4.264 -4.708 -0.080) 6.352 11.919 ( -0.441 8.091 -0.413) 8.114 12.086 ( -0.464 -6.588 -0.588) 6.630 12.760 ( 0.913 1.477 0.231) 1.752 12.797 ( 1.491 -1.673 1.434) 2.660 12.832 ( -0.116 1.294 0.390) 1.357 12.860 ( -0.575 -1.164 0.235) 1.319 13.796 ( 0.509 4.448 -0.062) 4.478 13.874 ( 0.506 -2.401 0.020) 2.454 14.125 ( 0.459 0.441 -0.318) 0.712 14.152 ( 0.906 -2.041 0.846) 2.388 14.587 ( -0.420 5.819 -0.496) 5.855 14.730 ( -0.445 -6.991 -0.621) 7.033 ======================= Grid point 24 (15/168) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 12.197 15.773 3.096) 20.178 1.683 ( 14.433 14.025 0.855) 20.143 1.831 ( 3.835 -15.171 1.150) 15.690 2.076 ( 7.740 -16.609 1.952) 18.428 2.654 ( 12.744 20.820 2.728) 24.563 2.975 ( 0.169 -8.823 3.489) 9.489 3.519 ( -6.509 6.707 -1.186) 9.421 3.615 ( -6.645 -3.095 0.247) 7.335 4.121 ( 8.712 2.946 -2.644) 9.569 4.206 ( 9.712 -5.374 -3.431) 11.618 4.583 ( -3.946 23.755 -0.204) 24.081 4.948 ( -4.193 0.248 -0.450) 4.225 5.211 ( -0.219 -1.278 -3.272) 3.520 5.439 ( 0.970 -15.535 -0.006) 15.566 6.239 ( -4.790 3.717 -1.403) 6.223 6.315 ( -5.594 -2.942 -1.472) 6.489 6.890 ( -2.970 14.250 1.144) 14.601 7.158 ( -0.697 7.634 0.844) 7.712 7.264 ( -2.037 -15.522 0.334) 15.659 7.383 ( 3.503 -9.495 0.947) 10.165 7.876 ( -1.367 2.541 -1.929) 3.471 7.943 ( -2.119 -3.756 -0.704) 4.370 8.541 ( 5.276 5.695 1.372) 7.884 8.650 ( 5.703 -4.291 0.224) 7.140 11.905 ( -0.728 8.220 -0.640) 8.277 12.076 ( -0.199 -6.798 -0.815) 6.850 12.788 ( 1.428 1.821 1.174) 2.595 12.818 ( -0.367 0.508 1.714) 1.825 12.841 ( -0.109 -1.187 0.098) 1.196 12.856 ( 1.613 -1.675 0.445) 2.368 13.810 ( 0.956 4.373 0.014) 4.477 13.889 ( 0.976 -2.663 0.082) 2.838 14.136 ( 0.669 1.207 0.362) 1.427 14.174 ( 0.832 -2.256 1.010) 2.608 14.573 ( -0.644 5.775 -0.830) 5.870 14.715 ( -0.672 -6.908 -1.034) 7.017 ======================= Grid point 25 (16/168) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 14.791 7.711 3.227) 16.990 1.895 ( 7.604 -6.789 1.370) 10.285 2.015 ( 14.651 7.220 0.069) 16.334 2.237 ( 7.984 -10.512 1.575) 13.294 2.852 ( 6.025 9.454 3.415) 11.719 2.976 ( -1.770 -1.904 4.161) 4.906 3.370 ( -7.890 6.184 -0.551) 10.039 3.473 ( -7.669 -3.042 0.965) 8.307 4.226 ( 2.255 15.515 -2.592) 15.890 4.413 ( 11.638 -4.975 -4.443) 13.414 4.577 ( 5.123 13.454 -0.270) 14.399 4.873 ( -2.624 -4.852 -1.063) 5.618 5.194 ( -0.128 4.567 -2.704) 5.309 5.443 ( -0.913 -15.216 0.181) 15.244 6.147 ( -3.948 2.103 -1.340) 4.670 6.205 ( -5.125 -3.236 -1.399) 6.220 6.817 ( -4.651 12.861 -0.999) 13.713 7.132 ( -2.368 -3.013 -0.682) 3.893 7.219 ( -2.282 -2.370 1.594) 3.656 7.453 ( 1.818 -11.881 3.416) 12.495 7.864 ( 1.152 3.271 -1.615) 3.825 7.942 ( 3.068 -3.653 -2.254) 5.276 8.628 ( 3.043 6.428 1.546) 7.278 8.752 ( 4.578 -4.863 0.565) 6.703 11.887 ( -0.802 8.621 -0.631) 8.681 12.071 ( 0.048 -7.596 -0.763) 7.634 12.799 ( -0.840 0.598 1.386) 1.727 12.812 ( -1.353 -0.353 1.604) 2.128 12.853 ( 2.263 1.544 -1.007) 2.919 12.900 ( 1.934 -2.569 1.201) 3.432 13.830 ( 1.088 4.219 0.148) 4.359 13.910 ( 1.096 -2.909 0.150) 3.112 14.153 ( 0.866 1.487 0.819) 1.906 14.190 ( 0.376 -1.859 1.008) 2.148 14.557 ( -0.616 5.754 -0.905) 5.857 14.697 ( -0.620 -6.807 -1.112) 6.925 ======================= Grid point 26 (17/168) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 11.299 4.233 1.934) 12.220 2.053 ( 8.527 -2.423 0.843) 8.904 2.291 ( 14.089 3.574 -1.118) 14.579 2.372 ( 5.528 -2.767 0.232) 6.187 2.898 ( -2.345 3.687 2.460) 5.014 2.952 ( -2.613 -1.126 4.849) 5.622 3.241 ( -5.547 5.470 1.008) 7.855 3.358 ( -4.910 -3.907 2.154) 6.635 4.207 ( -1.846 24.433 -0.700) 24.513 4.534 ( 2.429 -7.477 -5.111) 9.377 4.731 ( 9.197 8.273 -1.172) 12.425 4.901 ( 7.273 -3.816 -1.824) 8.414 5.177 ( -1.040 4.747 -1.352) 5.044 5.398 ( -4.113 -13.955 0.787) 14.569 6.085 ( -2.064 0.182 -1.061) 2.328 6.116 ( -3.687 -2.904 -0.682) 4.742 6.719 ( -4.592 12.522 -1.545) 13.426 7.074 ( -2.553 -16.189 -2.134) 16.527 7.197 ( -1.257 10.142 3.003) 10.652 7.470 ( -0.974 -12.594 2.627) 12.902 7.911 ( 3.901 4.975 -0.895) 6.385 8.018 ( 5.193 -4.502 -2.206) 7.218 8.667 ( 0.534 7.820 1.288) 7.943 8.820 ( 2.318 -6.133 0.589) 6.583 11.871 ( -0.620 9.118 -0.438) 9.149 12.070 ( 0.101 -8.456 -0.521) 8.473 12.785 ( -0.906 0.214 0.670) 1.146 12.791 ( -1.200 -0.256 0.697) 1.412 12.894 ( 2.094 1.403 -0.419) 2.555 12.932 ( 0.900 -2.050 1.112) 2.500 13.849 ( 0.787 4.075 0.182) 4.154 13.930 ( 0.897 -3.125 0.154) 3.255 14.173 ( 0.833 1.167 0.780) 1.632 14.197 ( -0.004 -1.042 0.740) 1.278 14.544 ( -0.411 5.771 -0.699) 5.828 14.683 ( -0.390 -6.731 -0.836) 6.793 ======================= Grid point 27 (18/168) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 4.592 3.871 0.321) 6.014 2.189 ( 4.324 -0.540 0.457) 4.381 2.418 ( 0.822 6.049 -0.199) 6.108 2.540 ( 10.585 -3.375 -1.959) 11.282 2.808 ( -6.942 5.370 2.249) 9.060 2.932 ( -0.897 -3.852 1.965) 4.416 3.174 ( -1.949 4.938 0.848) 5.376 3.305 ( -1.651 -4.876 1.346) 5.321 4.180 ( -0.732 24.476 0.160) 24.487 4.513 ( -0.979 -8.330 -2.211) 8.674 4.872 ( 5.089 12.121 -0.915) 13.178 5.064 ( 8.497 -2.743 -2.202) 9.196 5.142 ( -2.034 1.256 -0.010) 2.391 5.302 ( -5.563 -13.458 1.324) 14.622 6.059 ( -0.282 -1.531 -1.237) 1.988 6.065 ( -1.619 -2.321 0.696) 2.915 6.649 ( -1.933 13.007 -0.656) 13.166 7.031 ( -1.091 -20.422 -0.871) 20.470 7.193 ( -0.284 12.634 1.191) 12.693 7.460 ( -0.615 -11.675 0.886) 11.725 7.972 ( 2.026 5.344 -0.240) 5.720 8.090 ( 2.480 -5.099 -0.911) 5.743 8.670 ( -0.285 9.051 0.537) 9.071 8.848 ( 0.563 -7.198 0.252) 7.224 11.862 ( -0.231 9.451 -0.153) 9.455 12.070 ( 0.045 -8.980 -0.182) 8.982 12.774 ( -0.345 0.093 0.157) 0.391 12.776 ( -0.479 -0.055 0.225) 0.532 12.922 ( 0.957 0.714 -0.286) 1.228 12.944 ( 0.046 -1.266 0.589) 1.397 13.860 ( 0.270 4.018 0.079) 4.028 13.943 ( 0.359 -3.331 0.066) 3.351 14.189 ( 0.556 0.580 0.335) 0.870 14.197 ( -0.263 -0.153 0.251) 0.395 14.536 ( -0.141 5.799 -0.264) 5.807 14.676 ( -0.126 -6.697 -0.308) 6.706 ======================= Grid point 55 (19/168) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -9.266 0.000 28.706) 30.165 0.655 ( -2.243 0.000 32.238) 32.316 1.039 ( -10.093 0.000 51.459) 52.440 2.361 ( 1.383 0.000 -1.117) 1.777 2.703 ( 0.677 0.000 5.043) 5.088 3.221 ( -5.150 0.000 -4.647) 6.937 3.617 ( 5.621 0.000 7.986) 9.766 3.699 ( -6.910 0.000 2.085) 7.218 3.810 ( 2.152 0.000 1.790) 2.799 4.197 ( -1.713 0.000 -4.927) 5.217 4.332 ( -3.994 0.000 2.730) 4.838 4.392 ( 5.617 0.000 1.878) 5.923 5.567 ( -3.352 0.000 0.486) 3.387 5.787 ( 1.616 0.000 -4.103) 4.410 6.187 ( -0.936 0.000 -1.787) 2.018 6.371 ( 0.526 0.000 7.861) 7.879 6.719 ( 0.894 0.000 1.956) 2.150 6.951 ( 0.496 0.000 -3.333) 3.369 7.480 ( 0.953 0.000 -1.304) 1.615 7.744 ( 2.259 0.000 2.241) 3.182 7.911 ( -7.968 0.000 -2.549) 8.366 8.159 ( 4.641 0.000 4.148) 6.224 8.239 ( 0.537 0.000 0.618) 0.819 8.622 ( -0.793 0.000 -0.520) 0.948 11.716 ( -0.258 0.000 0.303) 0.398 12.169 ( -0.139 0.000 -0.877) 0.888 12.710 ( -0.987 0.000 -2.887) 3.051 12.780 ( 1.182 0.000 1.021) 1.562 12.853 ( 1.521 0.000 2.850) 3.231 12.898 ( 0.358 0.000 0.396) 0.533 13.668 ( 0.011 0.000 0.234) 0.234 13.886 ( 0.906 0.000 -0.082) 0.909 14.179 ( -4.796 0.000 -1.437) 5.007 14.246 ( -2.118 0.000 1.442) 2.562 14.447 ( 0.036 0.000 -0.965) 0.965 14.904 ( -0.064 0.000 -2.850) 2.851 ======================= Grid point 56 (20/168) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 16.100 0.000 19.129) 25.003 0.929 ( 17.858 0.000 22.264) 28.541 1.386 ( 18.643 0.000 38.151) 42.462 2.390 ( 1.835 0.000 1.034) 2.106 2.745 ( 0.998 0.000 6.619) 6.694 3.015 ( -14.106 0.000 -5.022) 14.973 3.549 ( -7.338 0.000 10.020) 12.419 3.737 ( 1.748 0.000 -2.942) 3.422 3.852 ( -2.850 0.000 0.867) 2.979 4.191 ( 3.802 0.000 -5.095) 6.357 4.297 ( 0.286 0.000 0.018) 0.286 4.498 ( 5.038 0.000 0.341) 5.050 5.459 ( -7.164 0.000 -2.660) 7.642 5.811 ( 2.509 0.000 -3.665) 4.441 6.144 ( -2.189 0.000 -2.333) 3.199 6.432 ( 1.335 0.000 9.606) 9.699 6.713 ( -2.253 0.000 3.565) 4.217 6.930 ( -1.367 0.000 -3.590) 3.842 7.528 ( 4.512 0.000 -1.517) 4.760 7.756 ( -3.075 0.000 -6.753) 7.420 7.782 ( -2.560 0.000 6.701) 7.173 8.223 ( -2.613 0.000 1.346) 2.939 8.270 ( 5.412 0.000 4.061) 6.767 8.644 ( 3.158 0.000 -0.921) 3.289 11.708 ( -0.673 0.000 0.253) 0.719 12.170 ( 0.782 0.000 -1.208) 1.439 12.690 ( 0.426 0.000 -2.475) 2.511 12.807 ( 0.814 0.000 1.826) 1.999 12.884 ( -0.004 0.000 0.739) 0.739 12.928 ( 2.600 0.000 2.823) 3.838 13.673 ( 0.460 0.000 0.252) 0.525 13.914 ( 1.752 0.000 0.532) 1.831 14.105 ( -1.727 0.000 0.296) 1.752 14.246 ( 0.406 0.000 1.337) 1.398 14.440 ( -0.303 0.000 -1.052) 1.095 14.885 ( -0.399 0.000 -3.263) 3.287 ======================= Grid point 57 (21/168) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 23.240 0.000 10.026) 25.310 1.410 ( 22.160 0.000 14.667) 26.574 1.893 ( 18.842 0.000 17.760) 25.893 2.447 ( 2.853 0.000 6.176) 6.803 2.693 ( -16.910 0.000 -1.932) 17.020 2.801 ( 1.999 0.000 7.921) 8.169 3.474 ( -5.477 0.000 8.808) 10.372 3.671 ( -6.465 0.000 -5.063) 8.212 3.735 ( -7.898 0.000 1.540) 8.046 4.274 ( 4.897 0.000 0.829) 4.967 4.370 ( 8.077 0.000 -2.174) 8.364 4.593 ( 5.241 0.000 -1.440) 5.435 5.295 ( -7.962 0.000 -4.021) 8.920 5.838 ( 1.531 0.000 -3.054) 3.416 6.097 ( -1.447 0.000 -2.421) 2.821 6.468 ( -2.579 0.000 7.491) 7.923 6.699 ( -0.796 0.000 7.795) 7.836 6.858 ( -4.716 0.000 -3.194) 5.696 7.622 ( 5.900 0.000 -2.250) 6.315 7.687 ( -0.343 0.000 -7.529) 7.536 7.780 ( -1.245 0.000 7.702) 7.802 8.157 ( -4.869 0.000 1.827) 5.201 8.384 ( 4.427 0.000 2.770) 5.222 8.727 ( 5.849 0.000 -1.117) 5.955 11.693 ( -1.090 0.000 0.340) 1.141 12.187 ( 1.564 0.000 -1.488) 2.159 12.708 ( 2.494 0.000 -2.339) 3.419 12.821 ( -0.186 0.000 1.741) 1.751 12.871 ( -1.350 0.000 0.439) 1.420 12.995 ( 2.535 0.000 3.160) 4.051 13.690 ( 1.161 0.000 0.498) 1.264 13.950 ( 1.751 0.000 0.540) 1.832 14.093 ( 0.153 0.000 -0.151) 0.215 14.255 ( -0.037 0.000 0.403) 0.405 14.427 ( -0.494 0.000 -1.040) 1.151 14.863 ( -0.358 0.000 -3.238) 3.258 ======================= Grid point 58 (22/168) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 22.482 0.000 4.044) 22.843 1.838 ( 15.193 0.000 14.294) 20.860 2.175 ( 7.956 0.000 -0.590) 7.977 2.403 ( -13.006 0.000 2.794) 13.303 2.545 ( 2.537 0.000 9.170) 9.514 2.924 ( 7.215 0.000 10.053) 12.375 3.407 ( -5.415 0.000 5.504) 7.721 3.483 ( -10.301 0.000 -2.392) 10.576 3.613 ( -6.103 0.000 4.104) 7.354 4.370 ( 4.549 0.000 2.653) 5.266 4.565 ( 13.372 0.000 -4.238) 14.028 4.664 ( 2.576 0.000 -3.526) 4.366 5.160 ( -3.871 0.000 -2.234) 4.470 5.831 ( -1.355 0.000 -2.002) 2.418 6.075 ( 0.234 0.000 -1.867) 1.881 6.400 ( -6.325 0.000 4.270) 7.631 6.735 ( -6.825 0.000 -1.407) 6.969 6.752 ( 1.311 0.000 10.536) 10.617 7.653 ( -0.863 0.000 -4.646) 4.726 7.715 ( 4.343 0.000 -2.026) 4.792 7.833 ( 4.361 0.000 4.408) 6.201 8.068 ( -4.706 0.000 1.344) 4.894 8.446 ( 0.917 0.000 1.737) 1.964 8.843 ( 6.563 0.000 -1.066) 6.649 11.671 ( -1.303 0.000 0.562) 1.420 12.214 ( 1.944 0.000 -1.617) 2.529 12.755 ( 3.391 0.000 -2.873) 4.444 12.815 ( -1.072 0.000 1.098) 1.535 12.842 ( -1.885 0.000 0.860) 2.072 13.042 ( 0.929 0.000 3.164) 3.298 13.718 ( 1.422 0.000 0.719) 1.594 13.980 ( 1.228 0.000 0.006) 1.228 14.106 ( 1.196 0.000 0.040) 1.197 14.246 ( -0.884 0.000 -0.273) 0.926 14.413 ( -0.499 0.000 -0.932) 1.058 14.846 ( -0.021 0.000 -2.776) 2.776 ======================= Grid point 59 (23/168) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 6.315 0.000 -3.811) 7.376 2.051 ( 1.308 0.000 10.740) 10.819 2.307 ( 7.166 0.000 3.048) 7.787 2.313 ( 4.912 0.000 9.935) 11.083 2.604 ( 1.550 0.000 4.046) 4.333 3.097 ( 5.272 0.000 5.184) 7.394 3.243 ( -10.386 0.000 -3.210) 10.871 3.364 ( -4.971 0.000 7.456) 8.961 3.526 ( -5.557 0.000 4.157) 6.940 4.472 ( 4.994 0.000 1.985) 5.374 4.664 ( 0.124 0.000 -2.715) 2.718 4.813 ( 14.430 0.000 -5.413) 15.412 5.135 ( 0.699 0.000 0.308) 0.764 5.766 ( -4.777 0.000 -0.527) 4.806 6.087 ( 1.566 0.000 -0.960) 1.837 6.300 ( -5.435 0.000 3.056) 6.235 6.610 ( -5.945 0.000 1.756) 6.198 6.812 ( 0.062 0.000 8.952) 8.952 7.617 ( -1.227 0.000 -1.696) 2.093 7.749 ( -0.421 0.000 0.222) 0.476 7.967 ( 8.097 0.000 0.563) 8.117 8.014 ( -0.860 0.000 -0.946) 1.279 8.435 ( -2.609 0.000 1.445) 2.982 8.950 ( 4.818 0.000 -0.822) 4.888 11.651 ( -1.102 0.000 0.867) 1.402 12.243 ( 1.789 0.000 -1.538) 2.359 12.784 ( 0.115 0.000 -3.089) 3.091 12.795 ( -1.243 0.000 0.464) 1.327 12.832 ( 1.457 0.000 0.713) 1.622 13.057 ( -0.761 0.000 3.398) 3.482 13.745 ( 0.917 0.000 0.701) 1.155 13.996 ( 0.607 0.000 -0.857) 1.050 14.134 ( 1.660 0.000 0.040) 1.660 14.222 ( -1.310 0.000 -0.670) 1.472 14.402 ( -0.316 0.000 -0.774) 0.836 14.839 ( 0.381 0.000 -2.090) 2.124 ======================= Grid point 60 (24/168) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.395 0.000 -0.641) 0.753 2.056 ( -2.812 0.000 4.941) 5.685 2.417 ( -1.039 0.000 13.945) 13.984 2.527 ( 7.060 0.000 4.610) 8.432 2.670 ( 5.024 0.000 -0.593) 5.059 3.078 ( -4.456 0.000 1.914) 4.849 3.126 ( -2.298 0.000 -3.723) 4.375 3.308 ( -3.924 0.000 5.209) 6.521 3.432 ( -5.697 0.000 1.512) 5.895 4.557 ( 2.753 0.000 0.899) 2.896 4.685 ( 2.513 0.000 1.867) 3.131 5.036 ( 10.588 0.000 -5.216) 11.803 5.154 ( 0.512 0.000 1.470) 1.556 5.665 ( -4.969 0.000 0.878) 5.046 6.115 ( 1.303 0.000 0.130) 1.310 6.234 ( -2.623 0.000 2.299) 3.488 6.542 ( -2.334 0.000 4.455) 5.029 6.819 ( -2.905 0.000 5.863) 6.543 7.595 ( -0.582 0.000 -0.404) 0.709 7.724 ( -1.765 0.000 1.877) 2.576 8.012 ( 0.786 0.000 -2.700) 2.812 8.123 ( 8.240 0.000 -1.654) 8.404 8.366 ( -5.415 0.000 2.133) 5.820 9.010 ( 1.861 0.000 -0.677) 1.981 11.640 ( -0.471 0.000 1.152) 1.245 12.265 ( 1.111 0.000 -1.283) 1.697 12.763 ( -0.613 0.000 -1.644) 1.754 12.776 ( -0.750 0.000 0.041) 0.751 12.873 ( 2.397 0.000 -1.266) 2.711 13.047 ( -1.917 0.000 3.802) 4.258 13.755 ( -0.101 0.000 0.429) 0.441 13.997 ( 0.093 0.000 -1.727) 1.729 14.162 ( 1.007 0.000 -0.654) 1.200 14.197 ( -0.798 0.000 -0.238) 0.833 14.396 ( 0.040 0.000 -0.621) 0.623 14.842 ( 0.714 0.000 -1.449) 1.615 ======================= Grid point 61 (25/168) ======================= q-point: (-0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -4.386 0.000 3.086) 5.363 2.055 ( 4.910 0.000 1.331) 5.087 2.381 ( -7.309 0.000 9.767) 12.199 2.492 ( -11.121 0.000 3.700) 11.721 2.768 ( 3.100 0.000 4.200) 5.220 3.018 ( -5.583 0.000 -7.320) 9.206 3.157 ( 9.343 0.000 4.630) 10.428 3.266 ( -2.102 0.000 3.005) 3.667 3.336 ( -3.474 0.000 -1.115) 3.648 4.561 ( -2.893 0.000 0.304) 2.909 4.748 ( 1.668 0.000 2.681) 3.157 5.120 ( -1.013 0.000 -1.385) 1.716 5.175 ( 1.240 0.000 4.139) 4.321 5.633 ( 2.140 0.000 -0.409) 2.179 6.131 ( 0.024 0.000 1.224) 1.224 6.223 ( 0.587 0.000 1.834) 1.925 6.565 ( 2.566 0.000 4.917) 5.547 6.754 ( -5.921 0.000 3.143) 6.704 7.590 ( 0.051 0.000 -0.051) 0.072 7.721 ( 0.659 0.000 1.925) 2.034 8.002 ( -0.544 0.000 -3.351) 3.395 8.253 ( 6.229 0.000 -3.248) 7.024 8.255 ( -7.370 0.000 4.241) 8.504 9.013 ( -1.194 0.000 -0.771) 1.421 11.644 ( 0.323 0.000 1.304) 1.343 12.272 ( 0.113 0.000 -0.961) 0.967 12.753 ( 0.273 0.000 -1.682) 1.704 12.767 ( -0.171 0.000 -0.378) 0.415 12.904 ( 1.448 0.000 -1.698) 2.232 13.022 ( -2.429 0.000 4.003) 4.682 13.745 ( -1.069 0.000 0.050) 1.070 13.985 ( -0.353 0.000 -2.299) 2.326 14.154 ( -0.874 0.000 -1.031) 1.352 14.203 ( 0.934 0.000 0.183) 0.952 14.398 ( 0.483 0.000 -0.511) 0.703 14.853 ( 0.985 0.000 -1.020) 1.418 ======================= Grid point 62 (26/168) ======================= q-point: (-0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -12.647 0.000 2.986) 12.995 2.112 ( -10.166 0.000 0.790) 10.197 2.290 ( -3.265 0.000 2.224) 3.950 2.325 ( 2.082 0.000 10.416) 10.622 2.758 ( -7.876 0.000 5.303) 9.495 2.863 ( -7.887 0.000 -3.282) 8.542 3.250 ( 0.202 0.000 1.882) 1.893 3.353 ( 6.201 0.000 0.799) 6.253 3.391 ( 11.784 0.000 2.589) 12.065 4.456 ( -7.995 0.000 0.802) 8.035 4.730 ( -3.631 0.000 -2.484) 4.399 5.011 ( -9.840 0.000 4.268) 10.726 5.263 ( 5.060 0.000 8.266) 9.691 5.712 ( 5.661 0.000 -3.092) 6.450 6.131 ( -0.521 0.000 1.883) 1.954 6.272 ( 3.655 0.000 1.878) 4.109 6.636 ( -7.202 0.000 1.611) 7.380 6.669 ( 6.009 0.000 3.351) 6.880 7.593 ( 0.329 0.000 -0.429) 0.541 7.752 ( 0.961 0.000 0.867) 1.294 7.973 ( -0.139 0.000 -3.349) 3.351 8.130 ( -7.605 0.000 6.125) 9.765 8.329 ( 2.902 0.000 -3.409) 4.477 8.962 ( -3.773 0.000 -0.812) 3.859 11.662 ( 0.887 0.000 1.270) 1.549 12.261 ( -0.837 0.000 -0.686) 1.082 12.756 ( 0.742 0.000 -1.989) 2.123 12.764 ( 0.018 0.000 -0.962) 0.962 12.910 ( -0.177 0.000 -1.066) 1.080 12.992 ( -2.340 0.000 3.184) 3.951 13.719 ( -1.500 0.000 -0.186) 1.511 13.964 ( -0.784 0.000 -2.460) 2.582 14.136 ( -0.603 0.000 -0.100) 0.612 14.220 ( 0.862 0.000 -0.293) 0.911 14.409 ( 0.831 0.000 -0.468) 0.954 14.869 ( 1.192 0.000 -0.870) 1.476 ======================= Grid point 63 (27/168) ======================= q-point: (-0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -21.221 0.000 3.168) 21.456 1.753 ( -24.623 0.000 7.465) 25.729 2.283 ( 0.891 0.000 0.159) 0.905 2.481 ( -23.174 0.000 7.797) 24.451 2.595 ( 16.668 0.000 9.511) 19.190 2.744 ( -4.346 0.000 0.218) 4.352 3.277 ( 1.455 0.000 2.407) 2.813 3.540 ( 11.022 0.000 3.350) 11.520 3.611 ( 10.530 0.000 -0.223) 10.533 4.301 ( -7.531 0.000 0.378) 7.540 4.616 ( -5.661 0.000 -5.829) 8.126 4.818 ( -12.934 0.000 8.100) 15.260 5.410 ( 5.720 0.000 8.875) 10.559 5.785 ( 3.386 0.000 -4.264) 5.445 6.136 ( 0.271 0.000 1.831) 1.851 6.366 ( 4.250 0.000 3.461) 5.481 6.519 ( -4.549 0.000 0.188) 4.553 6.798 ( 6.049 0.000 0.824) 6.105 7.598 ( 0.563 0.000 -0.775) 0.958 7.719 ( -4.240 0.000 -1.759) 4.590 8.007 ( 4.820 0.000 -1.545) 5.061 8.039 ( -4.986 0.000 8.195) 9.593 8.326 ( -1.520 0.000 -3.974) 4.255 8.871 ( -5.361 0.000 -0.440) 5.379 11.685 ( 0.971 0.000 1.075) 1.449 12.237 ( -1.395 0.000 -0.521) 1.489 12.758 ( -0.021 0.000 -1.441) 1.441 12.758 ( 0.319 0.000 -1.751) 1.780 12.894 ( -0.893 0.000 -0.566) 1.057 12.957 ( -2.722 0.000 1.909) 3.325 13.691 ( -1.253 0.000 -0.118) 1.259 13.935 ( -1.113 0.000 -2.267) 2.526 14.136 ( 0.546 0.000 1.186) 1.306 14.232 ( 0.526 0.000 -0.661) 0.845 14.424 ( 0.933 0.000 -0.510) 1.064 14.889 ( 1.230 0.000 -1.032) 1.606 ======================= Grid point 64 (28/168) ======================= q-point: (-0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -24.995 0.000 7.547) 26.110 1.295 ( -27.877 0.000 12.662) 30.618 1.967 ( -35.487 0.000 20.441) 40.953 2.320 ( 1.963 0.000 -2.483) 3.165 2.689 ( -1.925 0.000 1.556) 2.475 2.975 ( 18.403 0.000 7.630) 19.922 3.314 ( 0.766 0.000 4.078) 4.149 3.747 ( 8.409 0.000 1.763) 8.592 3.772 ( 6.427 0.000 -1.932) 6.711 4.214 ( -1.017 0.000 -0.077) 1.020 4.480 ( -5.690 0.000 -7.310) 9.263 4.607 ( -13.031 0.000 9.573) 16.169 5.534 ( 3.364 0.000 6.922) 7.696 5.803 ( 0.787 0.000 -4.679) 4.745 6.158 ( 1.244 0.000 1.144) 1.690 6.383 ( -3.631 0.000 5.457) 6.555 6.544 ( 6.117 0.000 -0.458) 6.135 6.892 ( 3.964 0.000 -1.541) 4.253 7.609 ( -5.601 0.000 -2.629) 6.187 7.619 ( 2.147 0.000 0.049) 2.148 8.013 ( -1.866 0.000 8.611) 8.811 8.109 ( 5.645 0.000 -0.596) 5.676 8.240 ( -5.447 0.000 -4.232) 6.898 8.765 ( -5.481 0.000 0.080) 5.481 11.705 ( 0.628 0.000 0.780) 1.001 12.207 ( -1.404 0.000 -0.487) 1.486 12.752 ( -0.282 0.000 -0.900) 0.943 12.753 ( 0.211 0.000 -1.280) 1.297 12.874 ( -1.004 0.000 -1.857) 2.111 12.910 ( -2.635 0.000 2.176) 3.417 13.673 ( -0.610 0.000 0.150) 0.628 13.905 ( -1.091 0.000 -1.788) 2.094 14.170 ( 2.082 0.000 2.473) 3.233 14.235 ( 0.219 0.000 -0.809) 0.838 14.438 ( 0.773 0.000 -0.637) 1.001 14.905 ( 0.986 0.000 -1.501) 1.796 ======================= Grid point 65 (29/168) ======================= q-point: (-0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -20.333 0.000 21.709) 29.744 0.840 ( -26.545 0.000 20.310) 33.423 1.369 ( -37.902 0.000 35.737) 52.093 2.343 ( 1.428 0.000 -2.012) 2.467 2.680 ( -0.262 0.000 3.270) 3.280 3.259 ( 5.103 0.000 -4.328) 6.691 3.395 ( 8.720 0.000 12.409) 15.167 3.811 ( -2.314 0.000 -0.360) 2.342 3.835 ( 0.758 0.000 -2.923) 3.019 4.256 ( 2.983 0.000 0.937) 3.127 4.338 ( -4.642 0.000 -7.060) 8.450 4.429 ( -9.100 0.000 7.316) 11.677 5.589 ( -0.139 0.000 4.079) 4.081 5.789 ( 0.287 0.000 -4.560) 4.569 6.185 ( 1.148 0.000 -0.041) 1.149 6.352 ( -1.790 0.000 6.029) 6.289 6.657 ( 4.829 0.000 1.010) 4.934 6.939 ( 2.201 0.000 -2.749) 3.521 7.510 ( -3.289 0.000 -2.053) 3.878 7.679 ( 3.523 0.000 1.092) 3.688 8.025 ( -2.019 0.000 6.036) 6.365 8.113 ( -4.154 0.000 -1.881) 4.560 8.197 ( 3.626 0.000 -0.038) 3.626 8.673 ( -4.017 0.000 0.013) 4.017 11.715 ( 0.154 0.000 0.488) 0.512 12.182 ( -0.931 0.000 -0.607) 1.111 12.739 ( -0.750 0.000 -1.656) 1.817 12.759 ( 0.794 0.000 -0.289) 0.845 12.839 ( -1.359 0.000 0.922) 1.642 12.894 ( -0.148 0.000 0.646) 0.662 13.668 ( -0.140 0.000 0.310) 0.340 13.883 ( -0.366 0.000 -1.017) 1.081 14.211 ( 0.220 0.000 0.644) 0.680 14.252 ( 2.371 0.000 0.059) 2.372 14.446 ( 0.434 0.000 -0.808) 0.917 14.911 ( 0.484 0.000 -2.178) 2.231 ======================= Grid point 66 (30/168) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -2.738 18.766 22.953) 29.774 0.963 ( -4.517 22.156 22.108) 31.623 1.563 ( -5.629 40.184 28.514) 49.593 2.252 ( 0.776 -10.573 0.957) 10.645 2.429 ( -0.554 -19.324 6.533) 20.406 3.270 ( 2.184 -3.823 -3.402) 5.564 3.594 ( -3.167 0.362 10.609) 11.077 3.730 ( -3.870 0.057 -1.142) 4.035 3.861 ( 1.727 3.796 3.252) 5.288 4.170 ( -3.001 1.590 -4.024) 5.265 4.251 ( 2.483 4.077 -1.033) 4.884 4.711 ( -0.392 17.509 2.162) 17.646 5.484 ( -3.410 -7.523 0.389) 8.269 5.678 ( 1.285 -9.978 -3.017) 10.503 6.231 ( -0.638 4.138 -1.655) 4.502 6.437 ( -0.503 4.604 5.591) 7.260 6.788 ( 2.426 2.832 -3.213) 4.922 7.027 ( -0.253 5.804 -3.033) 6.553 7.403 ( 1.601 -6.072 -0.259) 6.284 7.663 ( 0.028 -8.878 0.817) 8.915 7.929 ( -5.974 1.659 -1.181) 6.311 8.074 ( 3.422 -4.674 2.920) 6.487 8.292 ( 1.181 3.887 1.625) 4.375 8.595 ( -0.694 -2.540 -0.126) 2.636 11.774 ( -0.300 5.141 0.157) 5.152 12.166 ( -0.134 -1.747 -2.294) 2.886 12.716 ( -0.526 0.682 -2.093) 2.263 12.799 ( 0.873 1.478 0.772) 1.882 12.832 ( 1.515 -1.659 2.283) 3.204 12.890 ( 0.235 -0.703 0.388) 0.836 13.705 ( 0.005 3.196 0.182) 3.201 13.888 ( 0.735 -0.105 -0.347) 0.820 14.146 ( -3.084 -1.748 0.379) 3.565 14.209 ( 0.247 -2.409 1.940) 3.103 14.481 ( -0.036 3.045 -1.134) 3.249 14.846 ( -0.071 -4.969 -2.713) 5.662 ======================= Grid point 67 (31/168) ======================= q-point: ( 0.09 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 8.560 16.431 18.681) 26.310 1.149 ( 12.775 17.474 19.762) 29.310 1.791 ( 14.151 31.521 22.495) 41.229 2.272 ( 0.411 -10.989 4.051) 11.719 2.462 ( 0.670 -16.754 7.032) 18.182 3.177 ( -9.026 3.704 -3.029) 10.216 3.548 ( -5.289 0.982 10.821) 12.085 3.745 ( 2.595 -1.876 -0.750) 3.289 3.906 ( -0.709 6.358 -0.422) 6.412 4.143 ( 3.830 -2.088 -4.098) 5.986 4.264 ( 0.228 2.822 -1.650) 3.277 4.717 ( 0.390 15.175 1.287) 15.235 5.388 ( -6.106 -6.400 -2.243) 9.126 5.699 ( 2.150 -10.162 -2.809) 10.760 6.191 ( -2.373 3.901 -2.467) 5.190 6.442 ( -1.857 0.078 5.213) 5.534 6.778 ( -2.089 5.359 2.242) 6.173 6.999 ( -0.902 5.796 -2.398) 6.337 7.460 ( 4.161 -5.496 -0.997) 6.965 7.646 ( -1.798 -10.887 -0.061) 11.035 7.823 ( -4.185 3.552 -0.007) 5.489 8.114 ( -0.880 -6.291 1.596) 6.550 8.354 ( 4.416 4.815 2.787) 7.103 8.620 ( 3.371 -2.089 -0.379) 3.984 11.765 ( -0.689 5.043 0.066) 5.090 12.154 ( 0.085 -2.105 -1.799) 2.770 12.707 ( 0.802 1.585 -1.959) 2.645 12.819 ( 0.484 1.020 1.545) 1.914 12.875 ( 0.952 -1.036 1.137) 1.809 12.902 ( 1.413 -1.975 2.046) 3.176 13.710 ( 0.506 3.199 0.179) 3.244 13.908 ( 1.315 -0.714 0.246) 1.516 14.109 ( -0.842 0.475 0.249) 0.999 14.224 ( 0.576 -1.906 1.313) 2.385 14.471 ( -0.369 2.879 -1.274) 3.170 14.828 ( -0.381 -4.901 -3.099) 5.811 ======================= Grid point 68 (32/168) ======================= q-point: ( 0.18 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 17.314 9.250 11.969) 22.991 1.535 ( 18.071 10.794 15.223) 25.977 2.111 ( 7.634 7.699 5.575) 12.191 2.352 ( 6.853 0.183 11.690) 13.552 2.504 ( 0.669 -8.357 7.287) 11.108 3.002 ( -6.796 8.326 0.327) 10.753 3.487 ( -6.044 0.754 9.872) 11.600 3.705 ( -6.398 -1.986 1.724) 6.917 3.850 ( -3.938 15.515 -4.897) 16.739 4.251 ( 7.497 -3.154 -1.549) 8.279 4.314 ( 6.903 -0.996 -0.944) 7.038 4.741 ( 1.711 11.423 0.094) 11.551 5.248 ( -6.732 -4.341 -3.638) 8.797 5.725 ( 1.517 -10.089 -2.574) 10.522 6.133 ( -2.406 2.797 -2.323) 4.359 6.402 ( -4.383 -4.790 3.886) 7.566 6.750 ( -2.960 4.755 5.260) 7.684 6.972 ( -1.326 9.042 0.062) 9.139 7.511 ( 1.352 -9.164 -5.156) 10.601 7.641 ( 2.054 -7.278 3.267) 8.238 7.779 ( -0.626 2.185 0.286) 2.291 8.066 ( -4.120 -6.455 1.399) 7.785 8.457 ( 4.408 5.139 2.218) 7.125 8.708 ( 5.877 -1.642 -0.629) 6.135 11.749 ( -1.036 5.022 0.145) 5.130 12.157 ( 0.978 -2.904 -1.550) 3.434 12.731 ( 2.493 2.030 -1.945) 3.758 12.826 ( -0.447 0.435 1.486) 1.612 12.868 ( -1.307 -0.312 0.616) 1.478 12.959 ( 2.498 -3.023 2.798) 4.817 13.727 ( 1.176 3.185 0.327) 3.411 13.936 ( 1.435 -1.338 0.372) 1.997 14.107 ( 0.482 1.271 -0.029) 1.360 14.236 ( 0.171 -1.624 0.520) 1.713 14.457 ( -0.506 2.744 -1.265) 3.064 14.807 ( -0.337 -4.810 -3.069) 5.715 ======================= Grid point 69 (33/168) ======================= q-point: ( 0.27 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 17.856 3.380 7.513) 19.665 1.910 ( 14.700 5.992 10.962) 19.291 2.170 ( 0.749 -5.425 5.057) 7.455 2.445 ( -2.116 3.143 1.568) 4.101 2.615 ( 5.275 8.733 6.294) 11.988 2.974 ( 2.167 4.773 6.362) 8.244 3.409 ( -6.473 -1.080 8.966) 11.111 3.591 ( -6.219 -1.744 4.067) 7.633 3.720 ( -6.729 21.621 -3.129) 22.859 4.384 ( 6.671 -0.116 -0.512) 6.691 4.492 ( 11.351 -3.268 -3.099) 12.212 4.771 ( 1.634 7.685 -1.102) 7.933 5.137 ( -2.741 -2.043 -2.483) 4.225 5.724 ( -0.858 -9.669 -1.954) 9.901 6.089 ( -1.183 1.128 -1.616) 2.299 6.322 ( -5.337 -5.751 3.494) 8.589 6.691 ( -5.432 1.898 3.359) 6.663 6.962 ( -0.695 12.134 4.761) 13.054 7.483 ( -1.194 -12.844 -4.197) 13.565 7.731 ( 4.737 -4.852 3.624) 7.689 7.789 ( 0.690 0.268 -0.610) 0.960 8.005 ( -1.527 -4.543 0.602) 4.831 8.521 ( 1.344 5.650 1.234) 5.937 8.822 ( 6.023 -1.976 -0.746) 6.383 11.728 ( -1.173 5.138 0.390) 5.285 12.174 ( 1.453 -3.681 -1.452) 4.215 12.775 ( 2.826 1.685 -2.739) 4.281 12.815 ( -1.152 0.072 0.995) 1.524 12.842 ( -1.523 0.112 1.261) 1.981 13.007 ( 1.180 -2.972 2.732) 4.206 13.754 ( 1.352 3.044 0.484) 3.366 13.962 ( 1.164 -1.625 0.054) 2.000 14.123 ( 1.175 1.460 -0.079) 1.876 14.233 ( -0.593 -1.156 -0.186) 1.313 14.443 ( -0.424 2.731 -1.111) 2.979 14.791 ( 0.000 -4.723 -2.623) 5.402 ======================= Grid point 70 (34/168) ======================= q-point: ( 0.36 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 5.750 2.189 5.181) 8.043 2.208 ( 14.884 2.465 2.110) 15.233 2.254 ( 1.599 -0.250 12.990) 13.091 2.388 ( -1.527 6.342 0.730) 6.564 2.689 ( 1.751 7.736 2.240) 8.242 3.038 ( -0.307 -0.222 3.831) 3.849 3.323 ( -6.044 -2.747 7.063) 9.694 3.496 ( -6.453 -1.746 2.915) 7.293 3.613 ( -3.258 25.935 0.654) 26.147 4.497 ( 5.693 -0.007 -1.699) 5.941 4.640 ( 4.231 0.099 -1.118) 4.377 4.848 ( 9.059 2.976 -2.700) 9.911 5.124 ( 1.135 -0.834 -0.498) 1.494 5.669 ( -4.240 -8.817 -0.664) 9.806 6.077 ( 0.388 -0.763 -0.869) 1.220 6.245 ( -4.298 -4.460 3.770) 7.251 6.595 ( -5.509 1.697 3.530) 6.760 6.975 ( -0.877 11.492 5.811) 12.907 7.447 ( -1.048 -13.974 -1.921) 14.144 7.755 ( -3.527 -6.515 2.027) 7.680 7.837 ( 4.527 -0.746 0.118) 4.590 8.047 ( 5.391 -1.072 -0.866) 5.565 8.520 ( -1.689 6.625 0.521) 6.857 8.916 ( 4.052 -3.072 -0.778) 5.144 11.710 ( -0.945 5.351 0.724) 5.482 12.196 ( 1.402 -4.313 -1.252) 4.705 12.784 ( -0.588 0.065 -1.961) 2.048 12.796 ( -1.187 0.024 0.163) 1.198 12.849 ( 1.802 1.484 0.382) 2.366 13.026 ( -0.379 -2.623 2.788) 3.847 13.778 ( 0.829 2.830 0.486) 2.989 13.980 ( 0.773 -1.518 -0.561) 1.794 14.147 ( 1.351 1.084 -0.289) 1.756 14.214 ( -1.056 -0.653 -0.735) 1.443 14.433 ( -0.159 2.875 -0.859) 3.005 14.785 ( 0.401 -4.646 -1.962) 5.059 ======================= Grid point 71 (35/168) ======================= q-point: ( 0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 2.729 5.287 3.986) 7.161 2.202 ( -6.150 10.734 1.966) 12.527 2.402 ( 0.500 -1.119 10.978) 11.046 2.530 ( 11.868 0.293 1.439) 11.959 2.710 ( -0.842 3.714 1.685) 4.164 2.992 ( -4.575 0.012 2.386) 5.160 3.253 ( -4.100 -3.802 5.186) 7.626 3.370 ( -6.053 1.002 -1.942) 6.435 3.577 ( -1.852 24.309 0.516) 24.385 4.588 ( 4.673 -1.267 -0.286) 4.850 4.694 ( 1.628 4.494 2.359) 5.330 5.032 ( 9.765 -0.236 -3.867) 10.506 5.145 ( 0.732 -0.751 0.843) 1.345 5.574 ( -5.026 -8.273 0.722) 9.707 6.089 ( 0.979 -2.066 0.062) 2.287 6.197 ( -2.424 -3.193 3.627) 5.407 6.535 ( -2.487 2.030 5.171) 6.087 6.966 ( -2.499 10.849 3.971) 11.820 7.432 ( 0.075 -14.029 -0.185) 14.031 7.702 ( -2.370 -6.502 2.054) 7.219 7.895 ( 1.610 -0.921 -1.425) 2.339 8.157 ( 5.588 -1.396 -0.346) 5.770 8.471 ( -3.092 8.331 -0.115) 8.887 8.964 ( 1.409 -4.166 -0.886) 4.486 11.701 ( -0.375 5.529 1.028) 5.636 12.214 ( 0.911 -4.695 -0.948) 4.875 12.764 ( -0.493 0.137 -1.351) 1.445 12.777 ( -0.774 0.008 -0.043) 0.775 12.885 ( 1.847 1.009 -0.993) 2.327 13.020 ( -1.517 -2.231 2.987) 4.025 13.787 ( -0.033 2.753 0.314) 2.771 13.985 ( 0.213 -1.195 -1.274) 1.760 14.168 ( 0.884 0.516 -0.824) 1.314 14.191 ( -0.836 -0.404 -0.738) 1.186 14.430 ( 0.195 3.109 -0.601) 3.172 14.789 ( 0.710 -4.595 -1.344) 4.840 ======================= Grid point 72 (36/168) ======================= q-point: (-0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -6.983 5.862 1.982) 9.330 2.175 ( -0.654 5.791 2.934) 6.525 2.393 ( -3.317 3.288 7.770) 9.066 2.583 ( -10.453 3.809 4.152) 11.875 2.755 ( 7.094 -2.995 -0.953) 7.759 2.929 ( -3.471 0.307 2.052) 4.044 3.214 ( -1.904 -3.711 3.778) 5.628 3.301 ( 0.538 0.807 -2.263) 2.462 3.554 ( 0.424 25.516 -0.124) 25.520 4.652 ( 0.077 5.599 -0.303) 5.608 4.713 ( -0.212 -1.165 3.554) 3.746 5.112 ( -1.812 -0.547 -0.620) 1.992 5.168 ( 1.559 -0.768 3.355) 3.779 5.536 ( 2.037 -8.657 -0.580) 8.912 6.108 ( 0.490 -1.809 1.117) 2.182 6.189 ( 0.300 -2.990 3.220) 4.404 6.549 ( 1.208 2.108 5.654) 6.154 6.917 ( -3.721 11.383 1.647) 12.089 7.446 ( 1.098 -12.721 0.892) 12.800 7.694 ( 0.829 -7.970 1.485) 8.149 7.881 ( -2.163 -0.295 -1.971) 2.941 8.218 ( -0.663 -3.313 2.371) 4.127 8.427 ( -0.247 10.387 -2.216) 10.623 8.963 ( -1.052 -4.527 -1.144) 4.787 11.706 ( 0.325 5.564 1.200) 5.701 12.221 ( 0.186 -4.693 -0.630) 4.738 12.757 ( 0.311 0.313 -1.500) 1.564 12.767 ( -0.158 -0.003 -0.419) 0.448 12.905 ( 0.784 0.168 -1.416) 1.627 12.999 ( -2.058 -1.927 3.066) 4.165 13.780 ( -0.801 2.996 0.062) 3.102 13.977 ( -0.404 -0.944 -1.746) 2.026 14.158 ( -0.882 0.335 -1.336) 1.635 14.193 ( 0.802 -0.749 -0.394) 1.166 14.435 ( 0.546 3.295 -0.421) 3.367 14.800 ( 0.936 -4.600 -0.927) 4.785 ======================= Grid point 73 (37/168) ======================= q-point: (-0.36 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -13.017 3.276 2.828) 13.717 2.092 ( -7.277 -0.834 1.329) 7.444 2.336 ( -15.285 2.741 6.170) 16.710 2.428 ( 2.355 3.605 5.590) 7.056 2.792 ( -3.296 -1.515 -4.156) 5.516 2.879 ( -2.259 4.797 2.771) 5.983 3.225 ( 1.435 -0.603 4.034) 4.324 3.362 ( 5.730 0.582 1.283) 5.901 3.631 ( 7.480 22.336 1.021) 23.577 4.558 ( -8.703 8.020 1.585) 11.941 4.709 ( -2.423 -1.858 -1.700) 3.495 5.001 ( -8.944 -0.834 4.194) 9.914 5.240 ( 3.761 -2.015 7.126) 8.306 5.615 ( 5.528 -8.699 -2.956) 10.722 6.118 ( 0.248 -0.692 1.831) 1.974 6.239 ( 3.289 -3.052 3.090) 5.448 6.603 ( 1.110 3.212 4.169) 5.378 6.866 ( -1.007 11.685 0.222) 11.730 7.477 ( 1.554 -10.525 0.919) 10.679 7.735 ( 1.619 -14.219 -0.631) 14.324 7.814 ( -2.684 3.968 -0.219) 4.796 8.158 ( -6.054 -1.889 4.445) 7.745 8.436 ( 1.494 8.480 -3.598) 9.332 8.916 ( -3.262 -4.069 -1.237) 5.360 11.722 ( 0.845 5.474 1.197) 5.667 12.216 ( -0.498 -4.253 -0.390) 4.300 12.761 ( 0.724 0.377 -1.868) 2.038 12.764 ( 0.159 0.083 -0.993) 1.009 12.901 ( -0.667 -0.627 -0.887) 1.274 12.971 ( -2.131 -1.791 2.383) 3.664 13.760 ( -1.243 3.427 -0.107) 3.647 13.957 ( -0.829 -0.770 -1.855) 2.173 14.138 ( -0.655 0.199 -0.716) 0.991 14.205 ( 0.678 -1.281 -0.698) 1.609 14.446 ( 0.804 3.355 -0.361) 3.469 14.815 ( 1.101 -4.677 -0.781) 4.868 ======================= Grid point 74 (38/168) ======================= q-point: (-0.27 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -20.496 4.024 4.147) 21.295 1.872 ( -18.913 6.587 5.854) 20.865 2.178 ( -2.418 -7.727 2.985) 8.629 2.475 ( -0.869 -7.260 5.557) 9.184 2.608 ( -16.358 9.562 3.973) 19.360 2.890 ( 4.336 4.714 -0.859) 6.462 3.300 ( 4.245 4.688 5.133) 8.146 3.516 ( 9.108 -0.875 2.401) 9.460 3.808 ( 9.663 17.910 1.045) 20.377 4.384 ( -9.376 5.848 1.426) 11.142 4.588 ( -8.775 -2.381 -3.043) 9.588 4.859 ( -7.733 3.994 5.724) 10.417 5.359 ( 4.697 -4.681 8.037) 10.420 5.683 ( 2.819 -9.189 -3.568) 10.253 6.142 ( 1.544 0.876 1.702) 2.460 6.328 ( 4.113 -3.089 3.735) 6.357 6.604 ( -1.376 7.962 1.104) 8.156 6.900 ( 3.765 8.432 -0.108) 9.235 7.504 ( 0.768 -8.585 -0.395) 8.629 7.673 ( -4.454 -8.148 -1.597) 9.422 7.862 ( 4.394 -3.211 2.052) 5.816 8.066 ( -4.878 -1.802 4.410) 6.819 8.425 ( -1.347 7.303 -3.495) 8.208 8.833 ( -4.911 -3.374 -0.822) 6.015 11.745 ( 0.944 5.359 1.023) 5.537 12.200 ( -0.868 -3.480 -0.298) 3.599 12.757 ( -0.112 0.203 -1.678) 1.694 12.769 ( 0.696 0.608 -1.573) 1.824 12.879 ( -1.056 -1.098 -0.544) 1.618 12.936 ( -2.592 -1.773 1.565) 3.509 13.735 ( -1.217 3.704 -0.074) 3.900 13.931 ( -1.050 -0.511 -1.723) 2.081 14.132 ( 0.239 -0.277 0.395) 0.538 14.211 ( 0.306 -1.764 -0.891) 2.000 14.461 ( 0.881 3.324 -0.435) 3.466 14.833 ( 1.124 -4.801 -0.946) 5.021 ======================= Grid point 75 (39/168) ======================= q-point: (-0.18 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -20.896 8.799 9.064) 24.417 1.499 ( -23.195 12.199 11.040) 28.438 2.168 ( -8.519 -0.441 6.885) 10.963 2.250 ( -16.595 9.893 7.315) 20.658 2.456 ( -2.881 -14.505 5.165) 15.664 3.019 ( 8.732 -2.419 -1.848) 9.247 3.422 ( 5.365 9.674 7.726) 13.493 3.692 ( 7.784 -2.968 0.555) 8.349 3.960 ( 4.639 15.295 0.700) 15.999 4.246 ( -5.181 2.833 0.503) 5.926 4.391 ( -9.744 -5.099 -1.512) 11.101 4.762 ( -4.858 11.167 4.224) 12.890 5.465 ( 2.867 -6.432 6.334) 9.472 5.694 ( 0.317 -9.662 -3.565) 10.303 6.187 ( 2.323 2.572 0.838) 3.566 6.402 ( 1.041 -0.072 5.045) 5.152 6.613 ( 3.242 7.766 -1.007) 8.476 6.969 ( 3.327 6.517 -1.117) 7.402 7.479 ( -2.907 -8.167 -1.869) 8.868 7.625 ( 0.060 -5.197 -0.000) 5.197 7.935 ( 1.400 -4.249 4.797) 6.559 8.036 ( 0.386 -3.790 1.043) 3.950 8.359 ( -3.755 7.335 -2.600) 8.641 8.732 ( -5.283 -2.957 -0.153) 6.056 11.764 ( 0.630 5.283 0.722) 5.369 12.183 ( -0.693 -2.567 -0.462) 2.699 12.745 ( -0.359 0.140 -1.319) 1.374 12.775 ( 0.578 1.128 -0.881) 1.544 12.856 ( -1.326 -1.458 -1.682) 2.591 12.894 ( -1.984 -1.275 1.808) 2.971 13.716 ( -0.779 3.640 0.102) 3.724 13.904 ( -0.975 -0.175 -1.389) 1.706 14.152 ( 1.323 -1.297 1.660) 2.487 14.208 ( -0.253 -2.222 -0.856) 2.395 14.474 ( 0.734 3.265 -0.628) 3.405 14.848 ( 0.900 -4.922 -1.412) 5.199 ======================= Grid point 76 (40/168) ======================= q-point: (-0.09 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -12.510 16.717 18.184) 27.687 1.135 ( -20.324 17.648 17.199) 31.943 1.776 ( -25.732 32.657 22.801) 47.418 2.231 ( 1.218 -10.711 0.055) 10.780 2.429 ( -2.253 -18.224 5.769) 19.248 3.172 ( 8.027 -7.647 -2.807) 11.436 3.549 ( 3.282 8.643 9.139) 13.000 3.780 ( 1.285 -3.396 -1.310) 3.860 3.936 ( -7.641 6.772 2.703) 10.562 4.205 ( 1.105 3.600 -0.208) 3.771 4.251 ( -4.173 -1.526 -3.056) 5.393 4.716 ( -1.717 16.420 3.076) 16.794 5.512 ( -0.325 -7.386 3.404) 8.139 5.679 ( 0.098 -9.736 -3.268) 10.270 6.226 ( 1.500 3.738 -0.392) 4.046 6.422 ( -0.571 4.674 5.379) 7.148 6.707 ( 6.404 3.816 -2.339) 7.813 7.014 ( 2.298 6.008 -1.952) 6.722 7.414 ( -2.300 -7.164 -1.177) 7.616 7.646 ( 1.288 -6.038 0.464) 6.191 7.980 ( 1.241 -3.064 5.587) 6.491 8.036 ( -1.183 -3.370 -1.916) 4.053 8.292 ( -1.769 5.970 -0.353) 6.236 8.642 ( -3.963 -2.828 0.096) 4.870 11.774 ( 0.151 5.229 0.393) 5.245 12.173 ( 0.007 -1.826 -1.238) 2.206 12.734 ( -0.392 0.091 -1.324) 1.384 12.785 ( 0.675 1.715 -0.346) 1.875 12.819 ( -1.259 -1.562 0.533) 2.076 12.885 ( 0.037 -0.803 0.551) 0.975 13.707 ( -0.295 3.369 0.222) 3.389 13.886 ( -0.281 0.064 -0.875) 0.921 14.187 ( 0.874 -2.136 1.370) 2.684 14.192 ( -1.018 -3.350 0.330) 3.517 14.482 ( 0.401 3.180 -0.884) 3.325 14.853 ( 0.443 -4.985 -2.071) 5.416 ======================= Grid point 77 (41/168) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -2.277 22.524 14.263) 26.758 1.476 ( -1.766 23.498 12.207) 26.538 1.866 ( -0.998 -20.926 7.525) 22.260 1.990 ( -0.344 -20.388 8.395) 22.051 2.418 ( -1.678 32.541 14.521) 35.673 2.992 ( 1.276 -20.101 5.769) 20.952 3.622 ( -1.679 2.192 5.839) 6.459 3.694 ( 0.055 -3.459 1.073) 3.622 3.962 ( -1.709 6.466 -0.846) 6.741 4.101 ( -2.349 -5.555 -2.374) 6.482 4.668 ( 0.629 26.494 -2.659) 26.635 5.078 ( 0.241 15.241 0.872) 15.268 5.204 ( -2.323 -18.998 -0.851) 19.158 5.402 ( -0.565 -13.911 -0.541) 13.933 6.347 ( -0.662 5.975 -1.830) 6.284 6.461 ( -1.065 -3.352 -0.416) 3.541 6.949 ( 1.876 13.141 2.606) 13.528 7.159 ( -0.504 6.358 -2.202) 6.747 7.242 ( 2.314 -9.301 1.828) 9.758 7.375 ( -2.110 -14.583 -0.269) 14.738 7.964 ( -1.923 1.505 -0.728) 2.548 8.002 ( 1.106 -2.201 0.183) 2.470 8.399 ( 0.577 5.579 1.527) 5.813 8.515 ( -0.224 -4.728 0.756) 4.793 11.920 ( -0.329 7.748 -0.353) 7.763 12.078 ( -0.295 -6.131 -1.294) 6.273 12.742 ( 0.301 1.723 -0.862) 1.950 12.786 ( 1.089 -2.182 0.793) 2.564 12.837 ( 0.530 1.673 0.454) 1.813 12.869 ( 0.282 -1.258 0.435) 1.360 13.792 ( -0.078 4.277 -0.040) 4.278 13.866 ( 0.123 -2.217 -0.322) 2.244 14.128 ( -0.522 0.189 0.569) 0.794 14.155 ( 0.562 -2.196 1.216) 2.573 14.575 ( -0.111 5.538 -1.629) 5.774 14.712 ( -0.096 -6.751 -2.268) 7.123 ======================= Grid point 78 (42/168) ======================= q-point: ( 0.09 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 3.257 19.053 13.734) 23.711 1.581 ( 6.866 19.463 12.883) 24.329 1.885 ( -0.459 -17.217 8.304) 19.121 2.060 ( 3.601 -18.089 9.686) 20.832 2.546 ( 7.636 27.462 12.913) 31.292 3.026 ( -0.266 -15.832 5.274) 16.690 3.636 ( -1.875 4.774 5.385) 7.437 3.705 ( -0.500 -1.635 1.838) 2.510 3.964 ( 3.390 1.693 -1.011) 3.922 4.052 ( 0.687 -5.388 -4.252) 6.898 4.639 ( -2.545 25.774 -2.103) 25.984 5.040 ( -4.136 9.277 1.418) 10.255 5.170 ( -0.867 -10.845 -2.862) 11.250 5.402 ( 1.093 -15.481 -1.496) 15.592 6.294 ( -3.590 5.236 -2.439) 6.801 6.400 ( -4.595 -3.953 -0.946) 6.135 6.975 ( -1.524 13.143 3.225) 13.618 7.150 ( 1.372 7.684 -0.977) 7.867 7.310 ( -1.912 -11.188 -3.404) 11.849 7.328 ( 3.096 -13.559 4.964) 14.767 7.904 ( -3.557 3.731 -0.929) 5.238 7.992 ( -2.243 -4.710 -0.048) 5.217 8.462 ( 4.749 4.862 1.919) 7.062 8.557 ( 4.041 -3.743 0.758) 5.560 11.909 ( -0.615 7.643 -0.510) 7.685 12.065 ( -0.380 -6.044 -1.368) 6.209 12.756 ( 1.506 2.805 -0.677) 3.255 12.823 ( 2.194 -3.196 0.854) 3.970 12.845 ( 0.017 1.256 1.250) 1.772 12.871 ( -0.454 -1.085 0.912) 1.488 13.795 ( 0.523 4.200 -0.066) 4.233 13.873 ( 0.679 -2.657 -0.129) 2.746 14.129 ( 0.383 1.499 0.611) 1.663 14.173 ( 0.794 -2.437 1.138) 2.804 14.562 ( -0.417 5.389 -1.879) 5.722 14.696 ( -0.382 -6.653 -2.598) 7.153 ======================= Grid point 79 (43/168) ======================= q-point: ( 0.18 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 8.933 12.391 10.875) 18.751 1.807 ( 9.529 6.991 10.031) 15.502 1.941 ( 3.365 -5.646 10.472) 12.364 2.198 ( 5.852 -14.485 9.915) 18.504 2.760 ( 8.744 18.354 7.681) 21.733 3.035 ( -0.468 -6.110 2.757) 6.719 3.554 ( -7.566 5.077 4.626) 10.218 3.649 ( -6.639 -3.201 3.023) 7.966 4.082 ( 8.428 2.751 -1.417) 8.978 4.143 ( 9.265 -4.531 -2.441) 10.599 4.575 ( -2.649 23.608 -0.557) 23.763 4.956 ( -5.117 -1.178 1.504) 5.462 5.143 ( -0.212 1.920 -3.800) 4.263 5.421 ( 1.357 -16.529 -1.911) 16.695 6.206 ( -4.280 3.876 -1.997) 6.110 6.298 ( -5.449 -4.572 -0.317) 7.120 6.916 ( -4.984 10.917 1.241) 12.064 7.179 ( -1.554 1.061 0.637) 1.987 7.248 ( 0.069 -5.337 -0.577) 5.368 7.445 ( 5.273 -10.061 4.634) 12.268 7.842 ( -1.915 3.408 -1.314) 4.124 7.933 ( -3.182 -5.234 -0.200) 6.128 8.568 ( 5.093 4.764 1.428) 7.119 8.656 ( 5.666 -3.236 0.427) 6.538 11.894 ( -0.718 7.790 -0.410) 7.834 12.055 ( 0.009 -6.427 -1.158) 6.531 12.790 ( 2.268 3.249 -0.955) 4.076 12.836 ( -0.773 0.172 0.472) 0.922 12.859 ( -0.959 -0.431 1.191) 1.589 12.881 ( 2.294 -3.525 2.030) 4.670 13.811 ( 1.091 4.098 0.013) 4.241 13.890 ( 1.074 -2.972 0.026) 3.161 14.144 ( 0.824 2.020 0.376) 2.214 14.192 ( 0.630 -2.290 0.637) 2.459 14.545 ( -0.445 5.289 -1.874) 5.629 14.678 ( -0.345 -6.560 -2.576) 7.056 ======================= Grid point 80 (44/168) ======================= q-point: ( 0.27 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 12.032 5.235 7.595) 15.162 1.968 ( 5.960 -5.609 5.469) 9.843 2.137 ( 9.651 8.161 12.302) 17.637 2.344 ( 4.807 -8.902 8.631) 13.298 2.898 ( 3.050 11.474 1.440) 11.959 3.039 ( -0.244 -1.187 2.871) 3.117 3.428 ( -7.787 3.644 5.831) 10.388 3.527 ( -7.102 -4.137 4.009) 9.144 4.193 ( 2.929 13.189 -0.897) 13.540 4.323 ( 9.625 -3.895 -3.979) 11.120 4.581 ( 4.248 14.678 0.512) 15.288 4.877 ( -3.103 -4.292 1.732) 5.573 5.136 ( 1.113 6.766 -3.247) 7.586 5.427 ( -0.008 -16.418 -1.633) 16.499 6.126 ( -3.306 2.524 -0.936) 4.263 6.204 ( -4.493 -4.658 1.210) 6.584 6.818 ( -5.586 10.057 1.052) 11.552 7.109 ( -3.596 -13.316 -1.177) 13.843 7.275 ( -0.175 9.704 3.708) 10.390 7.535 ( 1.194 -11.403 4.621) 12.361 7.835 ( 1.967 2.861 -1.309) 3.710 7.909 ( 1.812 -3.981 -0.847) 4.455 8.649 ( 2.780 5.724 0.591) 6.391 8.757 ( 4.567 -4.043 -0.068) 6.099 11.880 ( -0.657 8.240 -0.114) 8.267 12.055 ( 0.350 -7.215 -0.860) 7.274 12.810 ( -0.217 0.938 -1.496) 1.779 12.817 ( -1.297 0.015 0.446) 1.371 12.860 ( 1.067 2.134 1.519) 2.829 12.930 ( 1.754 -3.772 1.659) 4.478 13.834 ( 1.186 3.908 0.101) 4.086 13.911 ( 1.100 -3.060 0.002) 3.252 14.161 ( 0.860 1.858 -0.069) 2.049 14.200 ( 0.143 -1.729 -0.052) 1.735 14.531 ( -0.205 5.311 -1.611) 5.554 14.663 ( -0.024 -6.511 -2.196) 6.872 ======================= Grid point 81 (45/168) ======================= q-point: ( 0.36 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 8.610 3.032 5.237) 10.524 2.139 ( 9.501 -3.670 6.258) 11.955 2.350 ( 7.733 5.162 8.297) 12.461 2.437 ( 1.450 -1.914 5.830) 6.305 2.905 ( -1.597 9.309 0.016) 9.445 3.033 ( -2.388 -2.419 3.228) 4.688 3.311 ( -7.154 2.936 5.179) 9.307 3.417 ( -6.479 -5.081 2.965) 8.752 4.200 ( -1.019 21.230 -0.373) 21.258 4.435 ( 4.292 -4.772 -3.920) 7.521 4.720 ( 8.853 7.759 -0.267) 11.775 4.890 ( 4.233 -2.660 1.136) 5.127 5.146 ( 0.768 5.733 -1.724) 6.035 5.400 ( -2.554 -14.836 -0.478) 15.061 6.077 ( -1.781 1.368 0.339) 2.271 6.143 ( -2.974 -4.364 2.972) 6.060 6.727 ( -4.411 10.821 2.312) 11.912 7.054 ( -1.931 -17.224 -0.014) 17.332 7.263 ( -2.407 11.644 3.698) 12.452 7.529 ( -2.768 -11.804 3.236) 12.549 7.899 ( 4.475 3.923 -0.426) 5.966 7.986 ( 5.706 -3.844 -0.861) 6.934 8.677 ( 0.181 7.271 -0.294) 7.279 8.820 ( 2.216 -5.690 -0.629) 6.138 11.870 ( -0.432 8.786 0.269) 8.801 12.060 ( 0.468 -8.033 -0.498) 8.062 12.788 ( -1.104 0.265 -0.687) 1.327 12.794 ( -1.194 -0.216 -0.025) 1.213 12.894 ( 1.534 2.590 0.401) 3.037 12.958 ( 0.570 -3.287 1.407) 3.620 13.853 ( 0.754 3.771 0.101) 3.847 13.929 ( 0.829 -3.065 -0.193) 3.181 14.174 ( 0.649 1.216 -0.665) 1.531 14.197 ( -0.270 -0.919 -0.784) 1.237 14.524 ( 0.158 5.451 -1.178) 5.580 14.658 ( 0.369 -6.510 -1.616) 6.718 ======================= Grid point 82 (46/168) ======================= q-point: ( 0.45 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 4.173 5.068 5.180) 8.363 2.302 ( 1.444 -2.270 9.053) 9.445 2.437 ( -0.406 5.000 2.169) 5.465 2.521 ( 6.850 -1.978 0.951) 7.193 2.843 ( -5.923 7.740 2.157) 9.982 2.982 ( -4.009 -3.598 3.199) 6.265 3.215 ( -4.346 2.216 3.361) 5.924 3.311 ( -4.521 -4.668 -0.644) 6.530 4.176 ( -0.822 23.810 -0.553) 23.831 4.489 ( 3.120 -7.311 -0.000) 7.949 4.865 ( 5.661 9.576 -0.220) 11.126 5.022 ( 8.435 -2.367 -1.424) 8.876 5.142 ( -0.901 2.423 -0.006) 2.585 5.329 ( -4.784 -12.960 1.285) 13.875 6.062 ( -0.242 0.434 1.670) 1.742 6.115 ( -1.611 -3.832 3.904) 5.703 6.682 ( -1.545 11.895 3.942) 12.626 7.039 ( 0.076 -19.417 1.578) 19.481 7.227 ( -2.701 12.124 2.311) 12.635 7.486 ( -2.546 -11.417 1.751) 11.828 7.969 ( 2.423 5.254 -0.036) 5.786 8.082 ( 3.907 -4.797 0.189) 6.190 8.663 ( -0.943 8.736 -1.243) 8.874 8.838 ( 0.339 -7.199 -1.246) 7.314 11.867 ( -0.082 9.166 0.612) 9.186 12.067 ( 0.409 -8.561 -0.139) 8.572 12.769 ( -0.488 0.295 -0.714) 0.914 12.775 ( -0.668 -0.177 -0.255) 0.737 12.915 ( 0.691 1.831 -0.233) 1.970 12.964 ( -0.525 -2.602 1.217) 2.920 13.862 ( 0.145 3.799 0.026) 3.802 13.939 ( 0.295 -3.045 -0.457) 3.094 14.179 ( 0.323 0.411 -1.219) 1.326 14.185 ( -0.472 -0.179 -1.363) 1.453 14.526 ( 0.479 5.631 -0.740) 5.699 14.662 ( 0.657 -6.529 -1.059) 6.647 ======================= Grid point 83 (47/168) ======================= q-point: (-0.45 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -8.326 5.743 4.007) 10.879 2.253 ( -7.632 1.395 5.306) 9.399 2.459 ( -0.333 3.204 4.509) 5.541 2.587 ( -4.948 -6.523 1.972) 8.422 2.745 ( 0.101 7.464 -3.083) 8.076 2.915 ( -3.619 -5.578 0.449) 6.664 3.199 ( 1.238 3.337 4.137) 5.458 3.278 ( 1.624 -2.669 -0.257) 3.135 4.179 ( 1.390 26.411 0.308) 26.449 4.560 ( 3.590 -9.675 2.198) 10.551 4.891 ( -3.556 11.487 0.316) 12.029 5.093 ( -5.490 -3.475 0.737) 6.539 5.149 ( 3.977 0.867 0.841) 4.157 5.289 ( 2.457 -12.098 0.503) 12.355 6.081 ( 1.126 0.004 2.486) 2.730 6.117 ( 0.208 -3.049 4.132) 5.139 6.706 ( 1.903 12.532 4.971) 13.616 7.071 ( 2.210 -19.456 3.066) 19.820 7.183 ( -2.492 12.540 0.315) 12.789 7.452 ( -1.543 -12.093 0.013) 12.191 7.980 ( -1.391 6.428 0.622) 6.606 8.117 ( -0.940 -5.782 1.773) 6.120 8.642 ( -0.321 9.311 -2.299) 9.597 8.828 ( -0.682 -7.647 -1.864) 7.900 11.872 ( 0.319 9.218 0.834) 9.261 12.073 ( 0.280 -8.608 0.142) 8.614 12.764 ( 0.230 0.262 -0.991) 1.050 12.767 ( -0.031 -0.053 -0.599) 0.602 12.917 ( -0.371 1.032 -0.583) 1.242 12.952 ( -1.274 -2.096 1.061) 2.672 13.859 ( -0.397 3.943 -0.058) 3.964 13.936 ( -0.335 -2.861 -0.635) 2.950 14.167 ( -0.616 0.458 -1.772) 1.932 14.178 ( 0.137 -0.579 -1.425) 1.544 14.535 ( 0.693 5.767 -0.441) 5.825 14.673 ( 0.827 -6.562 -0.680) 6.649 ======================= Grid point 84 (48/168) ======================= q-point: (-0.36 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -13.822 5.509 2.700) 15.123 2.080 ( -10.859 -1.255 2.637) 11.245 2.364 ( -13.914 1.565 5.299) 14.971 2.433 ( -8.283 -3.063 5.765) 10.547 2.790 ( 4.180 2.680 -6.842) 8.454 2.878 ( 0.130 -4.132 -2.469) 4.815 3.288 ( 5.421 4.672 5.667) 9.128 3.359 ( 5.792 -1.446 2.912) 6.642 4.232 ( 3.515 27.038 1.823) 27.327 4.605 ( -1.738 -7.762 1.800) 8.155 4.762 ( -9.084 8.871 1.440) 12.778 4.953 ( -7.584 -5.725 3.316) 10.064 5.213 ( 2.105 1.870 2.820) 3.985 5.373 ( 4.630 -11.643 -1.332) 12.601 6.120 ( 1.945 1.046 2.660) 3.458 6.166 ( 2.968 -3.076 3.790) 5.713 6.784 ( 3.517 13.215 4.921) 14.533 7.127 ( 0.042 0.684 1.753) 1.882 7.158 ( 2.129 -5.906 0.521) 6.300 7.426 ( -0.806 -13.435 -1.920) 13.595 7.935 ( -3.156 6.367 1.569) 7.278 8.069 ( -4.620 -5.583 2.972) 7.832 8.626 ( -0.479 8.475 -2.849) 8.954 8.795 ( -1.996 -6.897 -2.103) 7.481 11.885 ( 0.640 8.951 0.900) 9.019 12.079 ( 0.156 -8.142 0.296) 8.149 12.767 ( 0.349 0.166 -1.211) 1.271 12.768 ( 0.708 0.116 -1.383) 1.558 12.897 ( -1.398 0.572 -0.402) 1.563 12.927 ( -1.765 -1.977 0.770) 2.760 13.847 ( -0.827 4.138 -0.090) 4.221 13.922 ( -0.766 -2.564 -0.648) 2.753 14.147 ( -0.571 0.792 -1.649) 1.916 14.173 ( 0.018 -1.479 -1.494) 2.102 14.548 ( 0.815 5.830 -0.344) 5.897 14.687 ( 0.925 -6.630 -0.551) 6.716 ======================= Grid point 85 (49/168) ======================= q-point: (-0.27 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -15.667 8.770 3.882) 18.369 1.916 ( -7.535 -6.384 3.145) 10.365 2.092 ( -16.480 5.058 6.533) 18.435 2.283 ( -9.933 -10.020 5.563) 15.166 2.794 ( -2.892 6.191 -2.044) 7.132 2.884 ( 2.187 -2.790 -4.204) 5.499 3.439 ( 7.435 5.264 5.889) 10.847 3.502 ( 7.167 -1.029 4.161) 8.351 4.290 ( -0.904 18.283 3.548) 18.646 4.473 ( -10.895 -2.055 1.419) 11.178 4.594 ( -7.473 11.384 1.198) 13.670 4.914 ( 1.204 -5.545 3.116) 6.473 5.255 ( 0.856 -0.238 3.785) 3.887 5.427 ( 1.565 -12.462 -0.993) 12.599 6.182 ( 3.479 2.747 2.140) 4.922 6.253 ( 4.471 -3.580 3.171) 6.547 6.857 ( 1.853 15.055 3.201) 15.502 7.124 ( 0.897 11.002 -1.161) 11.099 7.225 ( 2.533 -15.903 1.958) 16.222 7.401 ( -0.827 -13.322 -2.097) 13.512 7.899 ( -1.019 4.038 2.006) 4.623 7.994 ( -4.063 -4.258 3.032) 6.620 8.588 ( -2.463 7.280 -2.542) 8.095 8.731 ( -3.798 -5.802 -1.664) 7.131 11.902 ( 0.711 8.520 0.779) 8.585 12.082 ( 0.072 -7.337 0.263) 7.343 12.766 ( 0.248 0.594 -1.729) 1.845 12.777 ( 0.894 -0.112 -1.692) 1.917 12.866 ( -1.650 0.269 -0.142) 1.678 12.892 ( -2.127 -1.911 0.682) 2.940 13.829 ( -1.013 4.350 -0.039) 4.466 13.903 ( -0.913 -2.286 -0.550) 2.522 14.134 ( -0.212 0.678 -1.022) 1.244 14.166 ( -0.164 -2.102 -1.331) 2.493 14.562 ( 0.831 5.827 -0.465) 5.905 14.702 ( 0.921 -6.725 -0.708) 6.824 ======================= Grid point 86 (50/168) ======================= q-point: (-0.18 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -11.574 16.095 7.431) 21.171 1.774 ( -14.138 11.818 9.042) 20.526 1.871 ( -5.253 -14.698 4.516) 16.249 2.123 ( -9.231 -16.011 6.365) 19.547 2.668 ( -10.124 16.408 4.097) 19.710 2.911 ( 2.006 -7.053 -2.517) 7.753 3.592 ( 5.017 4.501 5.955) 8.995 3.641 ( 5.192 -1.475 3.017) 6.183 4.184 ( -9.754 3.137 3.499) 10.827 4.260 ( -10.540 -4.283 1.676) 11.500 4.579 ( 3.552 25.089 -0.740) 25.350 4.969 ( 2.937 0.253 1.751) 3.429 5.276 ( -0.497 -5.626 3.284) 6.533 5.432 ( -0.421 -12.616 -0.189) 12.624 6.263 ( 4.055 4.220 1.051) 5.946 6.354 ( 4.723 -3.742 2.317) 6.456 6.885 ( 0.606 16.150 1.131) 16.201 7.146 ( 1.453 9.047 -0.649) 9.186 7.245 ( -0.723 -13.811 -0.613) 13.844 7.390 ( 0.154 -12.849 0.667) 12.867 7.914 ( 1.276 1.359 1.857) 2.632 7.963 ( -0.133 -2.917 1.471) 3.269 8.513 ( -4.311 6.651 -1.505) 8.068 8.642 ( -4.836 -5.175 -0.718) 7.119 11.917 ( 0.492 8.133 0.463) 8.161 12.084 ( 0.089 -6.571 -0.042) 6.572 12.759 ( -0.268 1.072 -1.510) 1.871 12.784 ( 0.488 -0.779 -1.365) 1.645 12.837 ( -1.257 0.429 -0.438) 1.399 12.862 ( -1.013 -1.511 0.790) 1.984 13.811 ( -0.868 4.472 0.027) 4.556 13.885 ( -0.813 -2.023 -0.435) 2.224 14.132 ( 0.247 -0.149 -0.035) 0.290 14.155 ( -0.442 -2.169 -0.878) 2.381 14.574 ( 0.676 5.776 -0.783) 5.867 14.714 ( 0.735 -6.799 -1.132) 6.932 ======================= Grid point 87 (51/168) ======================= q-point: (-0.09 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -5.655 22.147 11.441) 25.561 1.552 ( -11.689 20.785 11.512) 26.479 1.854 ( -0.868 -21.166 5.934) 22.000 2.008 ( -5.532 -20.242 7.420) 22.258 2.490 ( -10.644 27.721 10.639) 31.543 2.943 ( 1.779 -14.507 1.752) 14.720 3.645 ( -1.900 1.673 5.755) 6.287 3.702 ( -0.170 -3.560 2.029) 4.101 4.026 ( -6.136 4.954 1.138) 7.968 4.146 ( -2.783 -5.225 0.050) 5.920 4.642 ( 3.110 26.497 -2.135) 26.765 5.034 ( 3.140 6.918 0.981) 7.661 5.256 ( -2.573 -11.656 1.182) 11.995 5.419 ( -0.953 -12.879 0.287) 12.917 6.331 ( 2.640 5.487 -0.421) 6.103 6.439 ( 3.003 -3.440 1.028) 4.681 6.907 ( 1.441 14.526 1.056) 14.635 7.164 ( 0.737 7.157 -1.066) 7.274 7.223 ( -0.574 -10.653 0.041) 10.668 7.396 ( -0.360 -13.699 0.876) 13.732 7.955 ( 2.112 0.441 1.414) 2.579 7.982 ( 1.065 -1.901 -0.470) 2.229 8.429 ( -3.668 6.348 0.078) 7.332 8.555 ( -3.881 -5.079 0.229) 6.396 11.923 ( 0.096 7.904 0.028) 7.905 12.084 ( 0.072 -6.224 -0.676) 6.261 12.747 ( -0.289 1.114 -0.983) 1.514 12.779 ( -0.371 -1.723 -0.213) 1.775 12.826 ( 0.324 1.750 -0.169) 1.788 12.860 ( 0.315 -1.393 0.276) 1.454 13.797 ( -0.514 4.416 0.023) 4.446 13.871 ( -0.418 -1.926 -0.375) 2.006 14.139 ( -0.252 -1.234 0.678) 1.431 14.143 ( -0.094 -1.561 0.044) 1.564 14.579 ( 0.327 5.677 -1.216) 5.815 14.718 ( 0.353 -6.810 -1.713) 7.031 ======================= Grid point 110 (52/168) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -8.238 0.000 27.513) 28.719 1.246 ( -3.649 0.000 27.381) 27.623 1.980 ( -7.551 0.000 41.320) 42.004 2.356 ( 3.785 0.000 3.085) 4.883 2.850 ( 1.253 0.000 9.660) 9.741 3.134 ( -5.040 0.000 -4.286) 6.616 3.661 ( -1.028 0.000 -1.723) 2.007 3.823 ( -0.690 0.000 6.907) 6.942 3.868 ( 2.746 0.000 4.165) 4.989 4.092 ( -3.584 0.000 -5.662) 6.701 4.400 ( 6.076 0.000 -1.158) 6.185 4.447 ( -9.506 0.000 9.562) 13.483 5.573 ( -6.647 0.000 -0.085) 6.647 5.695 ( 2.031 0.000 -4.893) 5.298 6.132 ( -1.678 0.000 -3.887) 4.234 6.562 ( 1.774 0.000 10.867) 11.011 6.772 ( 1.364 0.000 3.271) 3.544 6.858 ( 0.704 0.000 -5.875) 5.917 7.441 ( 1.091 0.000 -2.559) 2.782 7.706 ( -1.555 0.000 -6.056) 6.253 7.953 ( -3.751 0.000 6.368) 7.391 8.252 ( 2.954 0.000 5.190) 5.972 8.258 ( 1.179 0.000 1.395) 1.827 8.618 ( -0.758 0.000 0.381) 0.848 11.725 ( -0.357 0.000 0.674) 0.763 12.143 ( -0.254 0.000 -1.699) 1.717 12.653 ( -0.784 0.000 -2.743) 2.852 12.808 ( 1.896 0.000 1.743) 2.576 12.902 ( -0.566 0.000 1.356) 1.470 12.916 ( 2.630 0.000 2.066) 3.345 13.667 ( -0.091 0.000 -0.611) 0.618 13.889 ( 1.596 0.000 0.572) 1.695 14.158 ( -2.522 0.000 -0.670) 2.610 14.265 ( 0.057 0.000 0.355) 0.360 14.423 ( 0.068 0.000 -1.405) 1.406 14.828 ( -0.069 0.000 -4.552) 4.552 ======================= Grid point 111 (53/168) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 5.518 0.000 24.576) 25.188 1.376 ( 6.683 0.000 21.761) 22.764 2.099 ( 1.841 0.000 25.022) 25.090 2.498 ( 7.104 0.000 16.709) 18.157 2.918 ( 1.196 0.000 10.591) 10.659 2.958 ( -11.784 0.000 -1.320) 11.858 3.590 ( -3.839 0.000 -5.473) 6.685 3.815 ( -4.081 0.000 9.139) 10.009 3.882 ( -5.144 0.000 1.434) 5.340 4.098 ( 8.116 0.000 -4.254) 9.163 4.352 ( -3.891 0.000 6.461) 7.542 4.494 ( 4.388 0.000 -0.936) 4.487 5.420 ( -8.730 0.000 -1.212) 8.813 5.724 ( 3.155 0.000 -4.806) 5.749 6.077 ( -1.862 0.000 -4.395) 4.773 6.637 ( -0.409 0.000 9.840) 9.848 6.806 ( 1.417 0.000 6.354) 6.510 6.834 ( -0.603 0.000 -5.833) 5.864 7.476 ( 3.884 0.000 -3.822) 5.449 7.617 ( -3.395 0.000 -7.087) 7.859 7.943 ( -1.740 0.000 8.702) 8.874 8.256 ( -2.203 0.000 1.969) 2.955 8.342 ( 4.322 0.000 3.444) 5.526 8.638 ( 2.486 0.000 0.583) 2.554 11.719 ( -0.676 0.000 0.834) 1.073 12.139 ( 0.645 0.000 -1.953) 2.057 12.642 ( 0.800 0.000 -2.265) 2.402 12.843 ( 0.805 0.000 1.757) 1.933 12.896 ( -0.570 0.000 0.592) 0.822 12.984 ( 3.203 0.000 2.623) 4.140 13.669 ( 0.776 0.000 -0.781) 1.100 13.926 ( 1.832 0.000 0.871) 2.028 14.115 ( -1.693 0.000 0.666) 1.819 14.264 ( -0.260 0.000 0.222) 0.341 14.415 ( -0.234 0.000 -1.419) 1.438 14.806 ( -0.069 0.000 -4.476) 4.477 ======================= Grid point 112 (54/168) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 13.359 0.000 16.992) 21.614 1.670 ( 15.481 0.000 12.252) 19.743 2.203 ( 1.122 0.000 9.119) 9.188 2.713 ( -13.454 0.000 3.358) 13.866 2.723 ( 4.965 0.000 22.698) 23.234 2.997 ( 2.958 0.000 11.512) 11.886 3.478 ( -5.048 0.000 -7.404) 8.961 3.749 ( -7.355 0.000 11.267) 13.455 3.768 ( -6.090 0.000 1.226) 6.213 4.261 ( 9.044 0.000 -2.042) 9.272 4.369 ( 3.716 0.000 2.453) 4.452 4.562 ( 3.393 0.000 -1.117) 3.572 5.258 ( -7.489 0.000 0.618) 7.515 5.763 ( 2.675 0.000 -4.298) 5.062 6.034 ( -0.504 0.000 -3.834) 3.867 6.602 ( -6.026 0.000 5.714) 8.305 6.784 ( -2.333 0.000 -4.011) 4.640 6.896 ( 2.785 0.000 11.772) 12.097 7.548 ( -0.578 0.000 -6.564) 6.589 7.551 ( 6.005 0.000 -4.911) 7.757 7.948 ( -1.631 0.000 8.860) 9.009 8.194 ( -5.051 0.000 1.810) 5.366 8.430 ( 3.241 0.000 2.012) 3.814 8.713 ( 5.255 0.000 -0.113) 5.256 11.707 ( -1.009 0.000 1.089) 1.485 12.150 ( 1.518 0.000 -2.142) 2.626 12.663 ( 2.255 0.000 -2.158) 3.121 12.850 ( -0.717 0.000 1.096) 1.309 12.882 ( -1.180 0.000 0.534) 1.295 13.053 ( 2.652 0.000 2.617) 3.726 13.690 ( 1.658 0.000 -0.659) 1.784 13.960 ( 1.286 0.000 0.561) 1.403 14.102 ( -0.129 0.000 0.936) 0.945 14.254 ( -0.733 0.000 -0.621) 0.961 14.402 ( -0.363 0.000 -1.444) 1.488 14.790 ( 0.315 0.000 -3.987) 3.999 ======================= Grid point 113 (55/168) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 12.548 0.000 7.703) 14.723 2.024 ( 17.055 0.000 4.941) 17.756 2.228 ( -1.422 0.000 4.662) 4.874 2.522 ( -8.165 0.000 8.488) 11.778 2.833 ( -1.843 0.000 18.831) 18.921 3.124 ( 3.687 0.000 9.151) 9.866 3.337 ( -6.541 0.000 -5.988) 8.868 3.651 ( -8.139 0.000 12.387) 14.822 3.669 ( -5.319 0.000 0.846) 5.386 4.408 ( 6.830 0.000 1.397) 6.971 4.503 ( 9.842 0.000 -1.989) 10.041 4.608 ( 1.980 0.000 -1.110) 2.270 5.169 ( -2.626 0.000 3.489) 4.367 5.777 ( 0.351 0.000 -3.241) 3.260 6.030 ( 1.579 0.000 -2.566) 3.013 6.491 ( -7.531 0.000 4.847) 8.956 6.722 ( -3.043 0.000 0.217) 3.050 6.982 ( 0.351 0.000 12.232) 12.237 7.534 ( 1.794 0.000 -6.246) 6.499 7.651 ( 6.294 0.000 -4.428) 7.696 7.968 ( 0.123 0.000 7.781) 7.782 8.091 ( -6.097 0.000 0.797) 6.149 8.470 ( 0.284 0.000 0.822) 0.870 8.826 ( 6.425 0.000 -0.700) 6.463 11.691 ( -1.162 0.000 1.403) 1.822 12.176 ( 2.070 0.000 -2.184) 3.009 12.699 ( 2.355 0.000 -2.708) 3.589 12.829 ( -1.597 0.000 0.367) 1.639 12.861 ( -1.195 0.000 0.858) 1.472 13.102 ( 1.237 0.000 2.770) 3.034 13.721 ( 1.833 0.000 -0.537) 1.910 13.977 ( 0.372 0.000 -0.161) 0.405 14.115 ( 0.924 0.000 0.850) 1.255 14.231 ( -1.218 0.000 -1.294) 1.777 14.390 ( -0.288 0.000 -1.459) 1.488 14.785 ( 0.825 0.000 -3.298) 3.400 ======================= Grid point 114 (56/168) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 2.793 0.000 -0.327) 2.813 2.196 ( -3.598 0.000 4.575) 5.821 2.342 ( 15.027 0.000 -0.181) 15.028 2.524 ( 3.400 0.000 10.991) 11.505 2.849 ( -5.101 0.000 17.074) 17.820 3.163 ( -2.169 0.000 2.521) 3.326 3.199 ( -5.705 0.000 -1.194) 5.829 3.551 ( -7.953 0.000 11.046) 13.611 3.560 ( -6.250 0.000 -0.680) 6.287 4.532 ( 4.356 0.000 4.400) 6.191 4.647 ( 3.079 0.000 0.525) 3.124 4.704 ( 12.619 0.000 -5.535) 13.780 5.176 ( 0.837 0.000 4.605) 4.680 5.745 ( -2.524 0.000 -1.468) 2.920 6.069 ( 3.088 0.000 -0.723) 3.171 6.378 ( -6.362 0.000 4.878) 8.017 6.678 ( -2.751 0.000 4.857) 5.582 7.008 ( -2.869 0.000 10.472) 10.858 7.550 ( 2.130 0.000 -4.706) 5.166 7.733 ( 3.451 0.000 -2.180) 4.082 7.990 ( -3.910 0.000 -1.274) 4.112 8.026 ( 3.035 0.000 4.649) 5.552 8.453 ( -2.122 0.000 0.465) 2.172 8.932 ( 4.842 0.000 -1.066) 4.958 11.677 ( -0.974 0.000 1.714) 1.972 12.206 ( 2.090 0.000 -2.080) 2.948 12.718 ( 1.009 0.000 -3.270) 3.423 12.799 ( -1.522 0.000 -0.019) 1.522 12.853 ( 0.016 0.000 0.977) 0.978 13.123 ( -0.257 0.000 3.161) 3.171 13.749 ( 1.175 0.000 -0.454) 1.260 13.973 ( -0.401 0.000 -1.127) 1.196 14.137 ( 0.927 0.000 0.265) 0.965 14.203 ( -0.875 0.000 -1.115) 1.418 14.380 ( -0.042 0.000 -1.431) 1.431 14.791 ( 1.176 0.000 -2.693) 2.938 ======================= Grid point 115 (57/168) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 1.639 0.000 -1.184) 2.022 2.138 ( -4.231 0.000 3.982) 5.810 2.590 ( 11.587 0.000 -2.816) 11.925 2.639 ( 1.635 0.000 6.618) 6.817 2.753 ( -11.041 0.000 7.756) 13.493 3.098 ( -5.608 0.000 3.461) 6.590 3.146 ( 0.374 0.000 4.296) 4.313 3.447 ( -7.403 0.000 8.543) 11.305 3.449 ( -5.042 0.000 3.270) 6.009 4.584 ( -0.101 0.000 1.456) 1.460 4.736 ( 4.434 0.000 2.673) 5.177 4.911 ( 11.574 0.000 -7.252) 13.658 5.227 ( 2.005 0.000 6.492) 6.795 5.681 ( -3.548 0.000 0.696) 3.616 6.127 ( 2.579 0.000 1.103) 2.805 6.302 ( -3.699 0.000 4.716) 5.994 6.661 ( -1.728 0.000 7.205) 7.410 6.965 ( -5.923 0.000 8.711) 10.534 7.570 ( 1.628 0.000 -2.357) 2.864 7.758 ( -0.027 0.000 0.932) 0.932 7.940 ( -0.542 0.000 -4.220) 4.254 8.114 ( 4.658 0.000 0.846) 4.734 8.402 ( -3.554 0.000 1.524) 3.867 8.989 ( 1.709 0.000 -1.647) 2.373 11.671 ( -0.466 0.000 1.911) 1.967 12.233 ( 1.520 0.000 -1.901) 2.434 12.714 ( 0.267 0.000 -3.012) 3.023 12.775 ( -0.977 0.000 -0.161) 0.990 12.865 ( 0.852 0.000 0.164) 0.868 13.122 ( -1.418 0.000 3.605) 3.874 13.759 ( -0.011 0.000 -0.278) 0.278 13.955 ( -0.687 0.000 -2.110) 2.219 14.141 ( -0.259 0.000 -1.255) 1.281 14.198 ( 0.478 0.000 0.412) 0.631 14.376 ( 0.329 0.000 -1.348) 1.387 14.804 ( 1.324 0.000 -2.339) 2.688 ======================= Grid point 116 (58/168) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 6.393 0.000 -0.175) 6.395 2.074 ( -4.572 0.000 4.075) 6.125 2.511 ( -13.791 0.000 0.274) 13.794 2.605 ( -7.408 0.000 7.380) 10.456 2.762 ( 6.772 0.000 -4.842) 8.325 2.977 ( -7.754 0.000 0.750) 7.790 3.245 ( 6.660 0.000 3.805) 7.670 3.363 ( -4.189 0.000 6.703) 7.904 3.431 ( -0.891 0.000 14.550) 14.577 4.550 ( -3.292 0.000 -1.598) 3.659 4.783 ( -1.422 0.000 1.365) 1.971 5.051 ( 5.565 0.000 -5.466) 7.800 5.316 ( 3.895 0.000 9.436) 10.208 5.638 ( -0.926 0.000 0.930) 1.312 6.166 ( 0.728 0.000 2.228) 2.344 6.283 ( -0.318 0.000 4.286) 4.297 6.679 ( 0.540 0.000 6.305) 6.328 6.869 ( -7.982 0.000 8.486) 11.651 7.589 ( 0.941 0.000 -0.379) 1.015 7.764 ( 0.196 0.000 1.809) 1.820 7.911 ( -0.466 0.000 -5.584) 5.603 8.191 ( 3.192 0.000 -2.304) 3.937 8.342 ( -3.591 0.000 4.183) 5.513 8.982 ( -1.359 0.000 -2.597) 2.932 11.677 ( 0.141 0.000 1.890) 1.895 12.245 ( 0.549 0.000 -1.720) 1.806 12.709 ( 0.538 0.000 -2.711) 2.764 12.759 ( -0.614 0.000 -0.384) 0.724 12.880 ( 0.657 0.000 -0.718) 0.973 13.103 ( -2.308 0.000 3.882) 4.516 13.747 ( -1.121 0.000 -0.006) 1.121 13.932 ( -0.597 0.000 -2.749) 2.813 14.129 ( -0.168 0.000 -1.284) 1.295 14.212 ( 0.527 0.000 0.746) 0.914 14.381 ( 0.727 0.000 -1.259) 1.454 14.820 ( 1.375 0.000 -2.282) 2.664 ======================= Grid point 117 (59/168) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -11.864 0.000 5.698) 13.161 2.157 ( -2.962 0.000 3.014) 4.226 2.296 ( -6.332 0.000 -2.109) 6.674 2.529 ( 0.816 0.000 9.779) 9.813 2.803 ( -0.495 0.000 -2.052) 2.111 2.836 ( -7.472 0.000 0.706) 7.506 3.329 ( 0.651 0.000 5.579) 5.617 3.421 ( 7.586 0.000 0.878) 7.637 3.529 ( 3.539 0.000 16.857) 17.225 4.452 ( -6.068 0.000 -1.929) 6.367 4.690 ( -8.025 0.000 -0.129) 8.026 5.062 ( -2.945 0.000 0.324) 2.963 5.449 ( 5.312 0.000 9.967) 11.294 5.657 ( 2.744 0.000 -2.003) 3.397 6.176 ( -0.592 0.000 2.469) 2.539 6.329 ( 3.269 0.000 3.871) 5.066 6.734 ( 2.864 0.000 3.112) 4.229 6.747 ( -8.850 0.000 9.676) 13.113 7.601 ( 0.264 0.000 0.870) 0.909 7.754 ( -2.490 0.000 -1.943) 3.158 7.902 ( 2.760 0.000 -2.788) 3.923 8.195 ( -1.519 0.000 -0.980) 1.808 8.316 ( -1.592 0.000 3.881) 4.195 8.923 ( -3.298 0.000 -3.334) 4.690 11.692 ( 0.552 0.000 1.645) 1.735 12.238 ( -0.435 0.000 -1.568) 1.628 12.711 ( 0.887 0.000 -2.558) 2.707 12.746 ( -0.521 0.000 -0.715) 0.885 12.881 ( -0.110 0.000 -1.248) 1.252 13.068 ( -3.095 0.000 3.806) 4.905 13.721 ( -1.523 0.000 0.268) 1.547 13.909 ( -0.539 0.000 -2.798) 2.850 14.128 ( 0.609 0.000 -0.612) 0.863 14.222 ( 0.221 0.000 0.496) 0.543 14.392 ( 0.990 0.000 -1.230) 1.579 14.835 ( 1.360 0.000 -2.515) 2.859 ======================= Grid point 118 (60/168) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -18.318 0.000 9.948) 20.845 1.942 ( -19.415 0.000 11.055) 22.342 2.251 ( 0.877 0.000 -2.246) 2.411 2.667 ( -13.287 0.000 7.295) 15.158 2.752 ( 15.143 0.000 5.463) 16.098 2.770 ( -2.127 0.000 2.954) 3.640 3.392 ( 2.384 0.000 9.026) 9.335 3.566 ( 8.308 0.000 -4.100) 9.265 3.688 ( 5.990 0.000 11.708) 13.151 4.316 ( -7.211 0.000 0.058) 7.212 4.516 ( -8.798 0.000 -2.661) 9.191 4.963 ( -8.486 0.000 5.866) 10.316 5.583 ( 4.075 0.000 8.373) 9.312 5.698 ( 2.422 0.000 -4.178) 4.830 6.173 ( -0.539 0.000 1.761) 1.842 6.435 ( 6.052 0.000 3.423) 6.953 6.628 ( -8.175 0.000 10.741) 13.498 6.800 ( 3.140 0.000 -0.582) 3.194 7.613 ( 0.654 0.000 1.746) 1.865 7.659 ( -5.174 0.000 -4.415) 6.802 7.986 ( 5.997 0.000 -0.613) 6.028 8.160 ( -1.821 0.000 1.820) 2.575 8.282 ( -3.812 0.000 2.137) 4.370 8.837 ( -4.148 0.000 -3.160) 5.214 11.709 ( 0.564 0.000 1.263) 1.383 12.217 ( -1.068 0.000 -1.453) 1.804 12.717 ( 0.830 0.000 -2.450) 2.587 12.736 ( -0.169 0.000 -0.752) 0.771 12.866 ( -0.730 0.000 -1.221) 1.423 13.019 ( -3.738 0.000 3.361) 5.027 13.696 ( -1.183 0.000 0.498) 1.284 13.887 ( -0.570 0.000 -2.361) 2.429 14.150 ( 1.859 0.000 0.010) 1.859 14.225 ( -0.074 0.000 0.147) 0.164 14.406 ( 1.011 0.000 -1.271) 1.624 14.848 ( 1.189 0.000 -2.999) 3.226 ======================= Grid point 119 (61/168) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -16.729 0.000 18.836) 25.192 1.597 ( -22.456 0.000 17.087) 28.218 2.269 ( 1.338 0.000 -1.566) 2.060 2.395 ( -20.643 0.000 19.069) 28.103 2.763 ( -0.667 0.000 6.029) 6.065 3.043 ( 12.479 0.000 -0.172) 12.480 3.489 ( 3.268 0.000 11.637) 12.087 3.697 ( 7.399 0.000 -5.100) 8.986 3.820 ( 2.645 0.000 6.668) 7.173 4.224 ( -1.183 0.000 -0.266) 1.213 4.350 ( -7.115 0.000 -4.501) 8.419 4.804 ( -11.722 0.000 9.648) 15.182 5.662 ( 0.844 0.000 5.880) 5.940 5.706 ( 0.653 0.000 -4.828) 4.872 6.173 ( -0.085 0.000 0.164) 0.185 6.535 ( -3.934 0.000 7.653) 8.605 6.581 ( 5.014 0.000 5.965) 7.792 6.841 ( 2.279 0.000 -3.440) 4.126 7.543 ( -4.709 0.000 -3.774) 6.035 7.649 ( 2.284 0.000 2.014) 3.045 8.102 ( 6.084 0.000 -0.143) 6.085 8.139 ( -1.712 0.000 -1.074) 2.021 8.200 ( -5.358 0.000 5.912) 7.979 8.744 ( -4.305 0.000 -2.231) 4.849 11.722 ( 0.253 0.000 0.885) 0.920 12.188 ( -1.208 0.000 -1.408) 1.855 12.715 ( -0.113 0.000 -2.677) 2.680 12.738 ( 0.775 0.000 -0.132) 0.786 12.852 ( -0.086 0.000 -0.252) 0.266 12.961 ( -3.544 0.000 2.746) 4.483 13.681 ( -0.632 0.000 0.476) 0.791 13.869 ( -0.305 0.000 -1.546) 1.576 14.196 ( 2.718 0.000 -0.547) 2.772 14.221 ( -0.304 0.000 0.311) 0.435 14.418 ( 0.803 0.000 -1.338) 1.561 14.852 ( 0.801 0.000 -3.628) 3.715 ======================= Grid point 120 (62/168) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -10.052 0.000 27.106) 28.910 1.281 ( -19.134 0.000 23.380) 30.212 2.091 ( -20.922 0.000 34.911) 40.701 2.302 ( 2.100 0.000 -1.727) 2.719 2.793 ( 0.502 0.000 8.094) 8.110 3.177 ( 2.836 0.000 -4.435) 5.264 3.612 ( 4.171 0.000 7.931) 8.961 3.788 ( 3.345 0.000 -0.895) 3.463 3.842 ( -1.354 0.000 4.155) 4.370 4.202 ( -5.124 0.000 -5.816) 7.751 4.285 ( 5.567 0.000 -0.254) 5.572 4.615 ( -12.561 0.000 11.085) 16.753 5.661 ( -3.096 0.000 2.872) 4.223 5.693 ( 0.565 0.000 -4.896) 4.928 6.165 ( -0.479 0.000 -2.018) 2.074 6.512 ( -1.522 0.000 9.585) 9.705 6.702 ( 4.508 0.000 3.509) 5.712 6.860 ( 1.665 0.000 -5.142) 5.404 7.462 ( -2.170 0.000 -2.616) 3.399 7.704 ( 2.487 0.000 -0.228) 2.498 8.043 ( -6.289 0.000 -0.320) 6.297 8.192 ( 0.309 0.000 7.258) 7.264 8.202 ( 4.203 0.000 0.530) 4.236 8.661 ( -3.429 0.000 -0.960) 3.560 11.726 ( -0.086 0.000 0.670) 0.675 12.162 ( -0.911 0.000 -1.489) 1.746 12.688 ( -1.236 0.000 -2.997) 3.242 12.765 ( 1.780 0.000 0.932) 2.009 12.868 ( 1.441 0.000 1.451) 2.045 12.918 ( -1.947 0.000 1.832) 2.674 13.673 ( -0.394 0.000 -0.026) 0.394 13.867 ( 0.605 0.000 -0.399) 0.725 14.199 ( -1.104 0.000 -1.448) 1.821 14.249 ( 1.777 0.000 0.131) 1.782 14.424 ( 0.452 0.000 -1.385) 1.457 14.846 ( 0.296 0.000 -4.217) 4.227 ======================= Grid point 121 (63/168) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -3.741 11.157 23.728) 26.486 1.413 ( -4.506 18.349 23.021) 29.782 2.150 ( -5.013 7.107 17.022) 19.115 2.358 ( 1.904 7.332 20.292) 21.660 2.607 ( -1.150 -16.369 11.149) 19.838 3.224 ( 0.873 1.762 -1.432) 2.433 3.711 ( -0.190 1.907 2.095) 2.839 3.831 ( -4.170 -0.373 8.744) 9.695 3.911 ( 0.474 2.546 1.757) 3.130 4.074 ( -3.916 2.540 -5.395) 7.134 4.222 ( 1.577 -1.240 -1.173) 2.324 4.774 ( -2.840 16.692 4.453) 17.507 5.491 ( -5.476 -8.080 0.043) 9.761 5.604 ( 1.034 -7.857 -3.834) 8.804 6.177 ( -1.401 3.973 -3.882) 5.729 6.555 ( -1.305 -2.963 4.777) 5.770 6.791 ( 3.864 6.071 3.514) 8.008 6.959 ( -0.002 6.388 -3.583) 7.324 7.382 ( 1.237 -4.955 -1.948) 5.466 7.642 ( -0.980 -6.773 -3.589) 7.727 7.953 ( -4.118 -0.021 3.604) 5.473 8.131 ( 1.270 -7.025 3.476) 7.940 8.337 ( 2.477 4.339 2.814) 5.734 8.600 ( -0.571 -1.713 0.907) 2.020 11.779 ( -0.402 4.748 0.399) 4.782 12.126 ( -0.316 -1.881 -1.949) 2.728 12.670 ( -0.381 1.549 -2.369) 2.856 12.822 ( 1.585 1.144 1.434) 2.424 12.877 ( 1.201 -2.639 2.196) 3.637 12.902 ( 0.829 -0.763 0.773) 1.367 13.702 ( -0.034 3.109 -0.643) 3.175 13.886 ( 1.216 -0.440 0.240) 1.315 14.146 ( -1.737 -0.838 -0.061) 1.930 14.235 ( 0.441 -2.448 0.585) 2.555 14.452 ( -0.009 2.652 -1.656) 3.126 14.775 ( -0.073 -4.565 -4.248) 6.236 ======================= Grid point 122 (64/168) ======================= q-point: ( 0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 1.888 12.339 21.221) 24.620 1.546 ( 7.587 15.897 19.447) 26.238 2.173 ( 0.292 1.819 8.928) 9.116 2.544 ( 5.367 7.708 27.700) 29.249 2.635 ( -0.879 -14.067 9.804) 17.169 3.152 ( -6.620 5.822 0.968) 8.869 3.727 ( 1.055 6.862 -1.408) 7.084 3.782 ( -5.398 -1.775 10.801) 12.205 3.896 ( -5.721 4.254 -0.464) 7.144 4.056 ( 6.947 -3.597 -4.121) 8.842 4.248 ( 1.822 0.112 0.533) 1.902 4.749 ( -1.263 15.441 2.268) 15.658 5.360 ( -7.788 -5.827 -0.564) 9.743 5.623 ( 2.595 -9.005 -4.524) 10.406 6.124 ( -2.012 3.869 -4.321) 6.139 6.535 ( -2.804 -7.023 3.391) 8.288 6.860 ( -0.028 4.832 4.678) 6.726 6.953 ( 2.016 8.545 -0.651) 8.804 7.406 ( 2.016 -5.805 -4.143) 7.411 7.598 ( -0.675 -3.671 -4.430) 5.793 7.904 ( -3.427 -2.230 6.728) 7.872 8.146 ( -1.381 -7.529 2.045) 7.923 8.412 ( 3.983 4.481 2.953) 6.683 8.625 ( 2.661 -1.179 1.073) 3.102 11.771 ( -0.679 4.610 0.555) 4.693 12.117 ( 0.338 -2.159 -1.941) 2.923 12.666 ( 1.068 2.210 -2.094) 3.226 12.849 ( 0.476 0.444 1.400) 1.544 12.891 ( -0.201 -0.605 0.662) 0.919 12.948 ( 2.773 -3.002 2.262) 4.671 13.705 ( 0.765 3.132 -0.782) 3.318 13.915 ( 1.510 -1.177 0.522) 1.985 14.119 ( -1.015 0.483 0.664) 1.305 14.241 ( 0.027 -1.940 0.243) 1.955 14.442 ( -0.274 2.475 -1.614) 2.968 14.754 ( -0.074 -4.452 -4.145) 6.084 ======================= Grid point 123 (65/168) ======================= q-point: ( 0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 9.495 8.126 15.293) 19.750 1.826 ( 13.200 12.453 12.863) 22.243 2.215 ( 0.921 -0.959 4.721) 4.905 2.605 ( -4.981 -6.678 9.092) 12.332 2.768 ( 3.154 4.752 21.458) 22.203 3.072 ( -1.884 4.659 6.742) 8.409 3.709 ( -7.203 -2.715 10.232) 12.804 3.714 ( -1.548 15.278 -1.957) 15.480 3.767 ( -6.461 3.835 -1.099) 7.593 4.206 ( 8.920 -4.414 -2.131) 10.178 4.323 ( 5.887 0.006 1.405) 6.052 4.748 ( 0.447 12.995 1.018) 13.043 5.215 ( -6.892 -4.310 0.609) 8.151 5.653 ( 2.411 -9.450 -4.351) 10.679 6.074 ( -1.253 3.030 -3.572) 4.848 6.480 ( -4.440 -8.299 3.652) 10.096 6.823 ( -3.924 2.939 1.014) 5.006 7.030 ( 3.086 10.187 6.858) 12.662 7.402 ( 0.230 -8.890 -5.673) 10.549 7.617 ( 4.574 0.648 -4.113) 6.185 7.880 ( -2.440 -4.797 7.563) 9.282 8.099 ( -4.137 -7.290 2.065) 8.633 8.495 ( 3.181 4.699 1.644) 5.908 8.703 ( 5.104 -0.933 0.176) 5.191 11.758 ( -0.921 4.604 0.830) 4.768 12.123 ( 1.132 -2.621 -1.883) 3.420 12.690 ( 2.212 2.428 -2.112) 3.905 12.850 ( -0.840 -0.052 0.840) 1.189 12.881 ( -0.994 -0.055 0.638) 1.183 13.010 ( 2.555 -3.619 2.305) 4.994 13.725 ( 1.560 3.024 -0.710) 3.476 13.943 ( 1.192 -1.616 0.357) 2.040 14.114 ( 0.090 1.082 0.623) 1.251 14.237 ( -0.485 -1.513 -0.571) 1.688 14.429 ( -0.332 2.418 -1.546) 2.889 14.739 ( 0.285 -4.367 -3.666) 5.709 ======================= Grid point 124 (66/168) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 11.783 4.497 8.384) 15.144 2.093 ( 9.018 3.493 5.781) 11.267 2.278 ( 5.238 4.939 4.032) 8.252 2.530 ( -5.844 1.282 8.295) 10.228 2.851 ( -1.762 2.348 16.230) 16.493 3.112 ( 0.517 0.913 6.879) 6.958 3.602 ( -7.954 -0.516 8.508) 11.659 3.643 ( -6.527 4.558 -1.557) 8.112 3.673 ( -2.680 16.218 1.882) 16.545 4.359 ( 7.795 -3.850 -0.506) 8.709 4.467 ( 8.568 -0.080 -0.072) 8.569 4.770 ( 1.381 11.169 1.043) 11.302 5.132 ( -2.225 -3.588 2.592) 4.954 5.668 ( 0.715 -9.396 -3.361) 10.005 6.051 ( 0.233 1.635 -2.074) 2.651 6.408 ( -5.021 -6.601 4.868) 9.617 6.747 ( -4.397 2.555 2.428) 5.635 7.099 ( 0.302 9.345 8.676) 12.755 7.386 ( 0.839 -10.952 -5.252) 12.175 7.709 ( 6.346 2.537 -3.715) 7.779 7.869 ( -2.499 -7.335 5.670) 9.602 8.036 ( -2.380 -4.840 2.754) 6.056 8.534 ( 0.420 5.033 0.148) 5.053 8.807 ( 5.637 -1.704 -0.748) 5.936 11.744 ( -0.989 4.762 1.175) 5.004 12.142 ( 1.667 -3.134 -1.782) 3.972 12.721 ( 1.919 2.006 -2.606) 3.808 12.828 ( -1.572 -0.174 0.249) 1.601 12.865 ( -0.838 0.463 0.954) 1.352 13.058 ( 1.329 -3.751 2.341) 4.617 13.754 ( 1.695 2.793 -0.649) 3.331 13.960 ( 0.574 -1.571 -0.169) 1.681 14.125 ( 0.789 0.939 0.350) 1.276 14.218 ( -1.025 -1.105 -1.312) 1.998 14.417 ( -0.160 2.536 -1.461) 2.932 14.734 ( 0.778 -4.335 -3.023) 5.341 ======================= Grid point 125 (67/168) ======================= q-point: ( 0.36 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 4.546 5.256 2.990) 7.565 2.259 ( 6.602 1.166 2.609) 7.194 2.360 ( 1.296 6.921 -2.309) 7.410 2.549 ( 4.334 1.738 13.096) 13.904 2.861 ( -4.306 1.937 11.989) 12.885 3.116 ( -2.272 0.386 5.795) 6.236 3.491 ( -7.543 3.576 3.630) 9.103 3.497 ( -8.433 -1.935 4.403) 9.708 3.623 ( -2.965 18.846 -0.600) 19.087 4.499 ( 6.505 -3.546 2.407) 7.790 4.624 ( 7.591 1.089 -1.239) 7.769 4.826 ( 4.873 8.501 0.404) 9.807 5.143 ( 1.399 -3.066 3.270) 4.696 5.645 ( -2.044 -8.807 -1.549) 9.173 6.066 ( 1.781 0.024 -0.047) 1.782 6.337 ( -4.685 -3.821 5.375) 8.090 6.690 ( -3.379 2.091 5.777) 7.012 7.113 ( -2.655 8.543 7.900) 11.935 7.391 ( 1.709 -12.538 -3.566) 13.146 7.794 ( 1.111 2.616 0.205) 2.850 7.824 ( -0.981 -8.364 -0.174) 8.423 8.065 ( 3.635 -1.254 2.760) 4.733 8.516 ( -1.958 5.415 -0.791) 5.812 8.895 ( 3.890 -3.281 -1.396) 5.277 11.733 ( -0.784 5.012 1.505) 5.292 12.167 ( 1.725 -3.616 -1.614) 4.319 12.732 ( 0.526 1.223 -2.802) 3.102 12.798 ( -1.496 -0.148 -0.103) 1.507 12.864 ( 0.297 1.092 0.799) 1.385 13.080 ( -0.077 -3.686 2.582) 4.501 13.779 ( 1.098 2.563 -0.588) 2.849 13.963 ( -0.024 -1.088 -0.971) 1.458 14.142 ( 0.792 0.434 -0.110) 0.910 14.191 ( -0.951 -0.927 -1.438) 1.957 14.411 ( 0.159 2.812 -1.369) 3.132 14.741 ( 1.129 -4.335 -2.481) 5.121 ======================= Grid point 126 (68/168) ======================= q-point: ( 0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 3.711 8.246 1.697) 9.201 2.211 ( -6.607 9.845 0.402) 11.863 2.507 ( 9.876 -5.277 -1.901) 11.357 2.649 ( -2.653 0.081 7.491) 7.947 2.787 ( -5.323 2.736 3.803) 7.091 3.094 ( -4.027 0.668 6.850) 7.974 3.359 ( -4.916 2.948 5.085) 7.663 3.397 ( -6.386 -2.837 9.413) 11.723 3.568 ( -1.990 21.627 -1.019) 21.743 4.609 ( 3.455 -1.114 1.903) 4.098 4.725 ( 3.536 2.531 0.088) 4.350 4.958 ( 8.702 3.879 -3.277) 10.075 5.197 ( 2.303 -2.899 4.955) 6.185 5.586 ( -3.499 -8.330 0.654) 9.059 6.109 ( 2.003 -1.104 1.813) 2.919 6.283 ( -3.245 -2.032 5.120) 6.393 6.671 ( -1.879 2.058 8.012) 8.483 7.069 ( -5.075 8.392 6.448) 11.737 7.419 ( 2.347 -12.655 -1.344) 12.940 7.747 ( -3.041 -8.188 1.999) 8.960 7.855 ( 1.447 2.837 -2.350) 3.958 8.165 ( 5.410 -0.045 1.239) 5.550 8.460 ( -3.401 5.805 -0.951) 6.795 8.936 ( 1.173 -4.706 -2.087) 5.280 11.729 ( -0.338 5.214 1.711) 5.498 12.190 ( 1.291 -3.950 -1.422) 4.392 12.725 ( 0.087 0.911 -2.480) 2.643 12.774 ( -0.973 -0.137 -0.248) 1.013 12.876 ( 0.625 1.026 -0.029) 1.202 13.080 ( -1.188 -3.565 2.918) 4.757 13.788 ( 0.129 2.537 -0.418) 2.574 13.952 ( -0.411 -0.458 -1.802) 1.904 14.143 ( -0.382 0.160 -1.565) 1.618 14.181 ( 0.328 -1.300 -0.073) 1.342 14.412 ( 0.505 3.122 -1.287) 3.414 14.754 ( 1.276 -4.352 -2.181) 5.032 ======================= Grid point 127 (69/168) ======================= q-point: (-0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -6.281 5.000 2.123) 8.304 2.226 ( 1.132 8.328 1.701) 8.575 2.510 ( -8.811 2.707 0.579) 9.236 2.619 ( -0.347 -3.708 -1.759) 4.119 2.723 ( -2.291 -1.739 1.468) 3.230 3.007 ( -5.730 0.790 1.456) 5.964 3.326 ( -2.677 -0.775 7.059) 7.589 3.414 ( 1.979 0.478 17.089) 17.210 3.558 ( 1.686 24.507 0.635) 24.573 4.630 ( -1.165 5.196 -2.016) 5.694 4.757 ( -1.086 -0.955 1.103) 1.819 5.072 ( 3.679 1.979 -3.223) 5.276 5.281 ( 4.041 -3.552 7.590) 9.303 5.542 ( -1.007 -8.322 1.254) 8.476 6.148 ( 0.876 -1.093 2.739) 3.077 6.268 ( -0.411 -1.650 4.723) 5.020 6.688 ( -0.039 2.565 7.853) 8.262 6.986 ( -6.242 8.978 5.635) 12.301 7.464 ( 2.384 -11.154 0.486) 11.416 7.713 ( -1.141 -11.492 -0.442) 11.557 7.847 ( -1.141 5.217 -0.714) 5.388 8.260 ( 3.265 -1.536 1.640) 3.963 8.387 ( -3.430 7.562 -1.423) 8.424 8.923 ( -1.213 -5.180 -2.996) 6.106 11.735 ( 0.188 5.283 1.708) 5.555 12.202 ( 0.552 -3.982 -1.270) 4.216 12.718 ( 0.416 0.850 -2.292) 2.480 12.758 ( -0.575 -0.125 -0.462) 0.749 12.883 ( 0.191 0.433 -0.734) 0.874 13.062 ( -2.027 -3.410 3.139) 5.059 13.780 ( -0.764 2.855 -0.170) 2.960 13.934 ( -0.551 -0.020 -2.309) 2.374 14.127 ( -0.341 -0.164 -1.638) 1.681 14.191 ( 0.458 -1.700 0.253) 1.779 14.419 ( 0.796 3.318 -1.243) 3.631 14.769 ( 1.308 -4.391 -2.147) 5.059 ======================= Grid point 128 (70/168) ======================= q-point: (-0.36 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -10.557 2.212 4.949) 11.868 2.138 ( -7.909 -0.324 2.516) 8.305 2.410 ( -8.982 6.720 0.559) 11.232 2.536 ( 0.344 0.091 4.477) 4.491 2.721 ( -0.168 -6.425 -2.028) 6.740 2.926 ( -3.445 2.634 1.393) 4.555 3.347 ( 1.641 2.836 7.661) 8.332 3.516 ( 1.546 2.105 11.862) 12.146 3.666 ( 7.911 20.767 4.957) 22.769 4.556 ( -5.254 8.181 -3.009) 10.177 4.677 ( -7.483 -1.110 0.283) 7.570 5.066 ( -3.312 0.383 2.025) 3.901 5.405 ( 4.738 -4.456 8.559) 10.750 5.565 ( 2.965 -7.907 -1.378) 8.556 6.166 ( -0.044 -0.366 2.743) 2.767 6.312 ( 2.931 -1.991 4.126) 5.438 6.722 ( -0.823 3.784 7.310) 8.272 6.903 ( -3.864 9.447 4.058) 10.983 7.507 ( 1.388 -8.679 1.833) 8.979 7.676 ( -2.056 -12.372 -4.939) 13.479 7.839 ( 0.811 3.779 2.324) 4.510 8.254 ( -5.153 -3.364 5.080) 7.980 8.360 ( 1.529 8.705 -3.776) 9.611 8.870 ( -2.723 -4.632 -3.568) 6.450 11.750 ( 0.554 5.237 1.483) 5.471 12.199 ( -0.203 -3.643 -1.199) 3.841 12.720 ( 0.748 0.773 -2.213) 2.461 12.746 ( -0.367 -0.004 -0.768) 0.851 12.876 ( -0.516 -0.208 -1.067) 1.203 13.031 ( -2.757 -3.193 3.074) 5.220 13.760 ( -1.230 3.308 0.051) 3.530 13.913 ( -0.586 0.185 -2.341) 2.421 14.121 ( 0.375 -0.588 -0.989) 1.210 14.198 ( 0.205 -2.008 0.073) 2.019 14.430 ( 0.959 3.344 -1.269) 3.704 14.784 ( 1.264 -4.466 -2.370) 5.211 ======================= Grid point 129 (71/168) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -16.844 3.653 9.796) 19.825 2.011 ( -11.569 3.529 7.583) 14.276 2.228 ( -6.113 -2.230 2.556) 6.991 2.593 ( -0.367 -4.179 5.611) 7.005 2.696 ( -3.579 -1.824 2.671) 4.824 2.894 ( 0.746 2.465 2.184) 3.377 3.452 ( 5.248 6.279 9.329) 12.410 3.604 ( 4.285 2.986 4.823) 7.109 3.845 ( 7.750 16.627 4.588) 18.910 4.416 ( -8.348 7.322 -0.280) 11.108 4.504 ( -9.422 -0.918 -2.574) 9.810 4.990 ( -6.281 2.366 6.421) 9.288 5.519 ( 3.232 -6.369 7.376) 10.267 5.611 ( 2.350 -7.357 -2.818) 8.222 6.179 ( 0.478 0.873 1.754) 2.016 6.406 ( 4.954 -3.166 3.723) 6.959 6.694 ( -4.968 7.590 8.094) 12.157 6.899 ( 1.735 7.745 0.192) 7.939 7.516 ( -1.863 -7.928 1.139) 8.224 7.613 ( -1.048 -7.124 -4.127) 8.300 7.898 ( 3.872 -2.033 1.685) 4.687 8.173 ( -5.152 -3.571 5.944) 8.638 8.355 ( -0.785 7.711 -3.102) 8.348 8.795 ( -3.610 -3.725 -3.161) 6.074 11.767 ( 0.559 5.142 1.101) 5.288 12.185 ( -0.706 -3.048 -1.225) 3.360 12.722 ( 0.236 0.434 -1.990) 2.050 12.743 ( 0.633 0.599 -0.888) 1.244 12.856 ( -1.000 -0.645 -0.982) 1.543 12.985 ( -3.302 -2.839 2.730) 5.139 13.738 ( -1.155 3.507 0.202) 3.698 13.892 ( -0.587 0.316 -1.983) 2.093 14.135 ( 1.469 -1.186 -0.264) 1.906 14.199 ( -0.068 -2.196 -0.159) 2.203 14.442 ( 0.936 3.244 -1.372) 3.644 14.795 ( 1.078 -4.566 -2.824) 5.476 ======================= Grid point 130 (72/168) ======================= q-point: (-0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -14.049 6.926 17.534) 23.511 1.758 ( -18.057 10.735 14.714) 25.647 2.205 ( 0.653 -7.097 0.653) 7.157 2.520 ( -13.134 8.867 13.029) 20.515 2.612 ( -4.673 -9.385 10.376) 14.750 2.994 ( 7.690 -4.377 0.026) 8.849 3.604 ( 5.594 7.910 9.487) 13.559 3.712 ( 5.216 1.077 1.573) 5.554 3.970 ( 3.451 15.313 1.395) 15.759 4.267 ( -6.598 3.209 0.045) 7.337 4.321 ( -8.000 -2.207 -3.411) 8.973 4.896 ( -6.689 7.702 8.274) 13.135 5.575 ( 0.134 -9.013 2.526) 9.361 5.628 ( 0.480 -6.161 -0.678) 6.217 6.197 ( 0.870 2.352 -0.032) 2.508 6.512 ( 3.457 -4.945 4.454) 7.499 6.651 ( -1.704 10.238 6.020) 11.998 6.935 ( 2.166 7.167 -2.139) 7.787 7.451 ( -3.680 -7.276 -1.431) 8.278 7.617 ( 1.707 -5.039 -0.590) 5.353 7.976 ( 3.418 -4.419 0.246) 5.592 8.121 ( -3.441 -5.330 6.555) 9.122 8.313 ( -1.893 8.329 -1.717) 8.712 8.711 ( -3.938 -2.961 -1.971) 5.307 11.778 ( 0.251 5.037 0.694) 5.091 12.164 ( -0.824 -2.417 -1.387) 2.906 12.714 ( -0.180 0.298 -1.927) 1.958 12.759 ( 1.218 1.387 -0.492) 1.910 12.837 ( -0.472 -1.182 -0.121) 1.279 12.935 ( -2.932 -2.204 2.182) 4.268 13.720 ( -0.770 3.348 0.169) 3.439 13.875 ( -0.347 0.392 -1.329) 1.428 14.171 ( 2.126 -1.971 -0.270) 2.912 14.195 ( -0.287 -2.251 0.033) 2.269 14.452 ( 0.723 3.075 -1.512) 3.502 14.798 ( 0.712 -4.644 -3.414) 5.808 ======================= Grid point 131 (73/168) ======================= q-point: (-0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -7.611 9.931 23.369) 26.508 1.513 ( -14.891 15.327 20.522) 29.628 2.211 ( -2.817 -4.696 4.011) 6.788 2.328 ( -11.373 16.161 23.880) 30.996 2.593 ( -2.513 -14.765 10.576) 18.335 3.140 ( 7.161 -4.328 -0.610) 8.390 3.702 ( 0.692 5.074 5.392) 7.436 3.803 ( 3.013 1.023 4.282) 5.335 3.970 ( -3.920 9.477 0.502) 10.268 4.161 ( -3.631 1.775 -3.981) 5.673 4.217 ( -1.764 -3.161 -0.512) 3.655 4.820 ( -4.854 13.917 7.181) 16.396 5.559 ( -1.921 -10.072 -0.284) 10.257 5.620 ( -1.040 -5.991 -0.851) 6.140 6.203 ( 0.092 3.450 -2.159) 4.071 6.552 ( -0.927 -1.353 6.114) 6.330 6.702 ( 4.046 6.293 2.489) 7.884 6.959 ( 1.552 6.827 -3.300) 7.740 7.392 ( -1.673 -5.807 -1.328) 6.187 7.648 ( 1.346 -6.240 -1.113) 6.480 8.006 ( -0.905 -2.231 -0.639) 2.491 8.099 ( -1.197 -6.179 6.535) 9.073 8.297 ( 0.634 6.255 0.965) 6.361 8.636 ( -3.132 -2.312 -0.459) 3.920 11.782 ( -0.109 4.912 0.431) 4.932 12.143 ( -0.651 -1.966 -1.710) 2.685 12.694 ( -0.846 0.773 -2.396) 2.656 12.785 ( 1.575 1.617 0.590) 2.333 12.845 ( 0.911 -2.069 1.600) 2.769 12.902 ( -1.191 -1.264 1.213) 2.118 13.709 ( -0.434 3.128 -0.194) 3.164 13.871 ( 0.379 0.186 -0.476) 0.636 14.175 ( -0.950 -1.881 -0.881) 2.284 14.215 ( 1.502 -2.689 0.600) 3.138 14.456 ( 0.373 2.869 -1.626) 3.319 14.791 ( 0.258 -4.647 -3.958) 6.109 ======================= Grid point 132 (74/168) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.937 14.812 15.722) 21.687 1.792 ( -3.062 14.616 18.413) 23.707 2.024 ( 0.222 -9.785 8.301) 12.834 2.228 ( -0.724 -17.663 14.722) 23.005 2.779 ( -1.385 20.833 20.367) 29.168 3.125 ( 2.670 -10.571 7.080) 13.001 3.739 ( -1.601 0.759 3.826) 4.217 3.776 ( -2.495 -3.026 8.587) 9.440 3.942 ( -1.892 3.533 -0.858) 4.099 4.042 ( -4.076 -4.658 -3.119) 6.931 4.595 ( 1.288 27.308 -4.693) 27.739 5.088 ( 1.147 2.979 -0.791) 3.288 5.199 ( -4.661 -10.339 1.276) 11.413 5.400 ( -2.701 -10.632 0.886) 11.005 6.292 ( -1.373 6.347 -3.718) 7.483 6.438 ( -1.681 -6.714 -1.881) 7.173 7.034 ( 1.877 14.907 5.225) 15.907 7.103 ( -0.092 6.948 -3.145) 7.627 7.251 ( 1.387 -6.712 -1.466) 7.009 7.388 ( -1.081 -15.813 1.496) 15.920 7.960 ( -2.234 0.940 0.470) 2.469 8.007 ( 0.407 -3.788 0.632) 3.862 8.443 ( 1.302 5.081 2.952) 6.019 8.541 ( 0.104 -3.707 2.053) 4.239 11.912 ( -0.454 6.932 -0.399) 6.958 12.050 ( -0.429 -5.188 -1.470) 5.409 12.721 ( 0.444 3.143 -1.229) 3.404 12.800 ( 1.178 -3.883 0.501) 4.088 12.853 ( 1.096 1.428 1.189) 2.157 12.882 ( 0.612 -1.150 0.818) 1.539 13.786 ( -0.015 4.119 -0.631) 4.167 13.859 ( 0.348 -2.293 -0.350) 2.345 14.139 ( -0.104 0.561 0.507) 0.764 14.175 ( 0.764 -2.619 0.629) 2.800 14.534 ( -0.119 4.811 -2.359) 5.360 14.654 ( -0.112 -5.994 -3.384) 6.885 ======================= Grid point 133 (75/168) ======================= q-point: ( 0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.638 13.056 14.554) 19.562 1.876 ( 3.307 8.512 14.848) 17.432 2.078 ( 1.559 -3.411 10.952) 11.577 2.309 ( 2.262 -15.090 14.409) 20.986 2.870 ( 1.268 16.500 18.873) 25.101 3.141 ( -3.229 -7.235 6.396) 10.182 3.758 ( -2.002 1.272 4.273) 4.887 3.781 ( -1.669 -0.110 7.157) 7.350 3.958 ( 1.978 -0.894 0.290) 2.190 3.971 ( 3.622 -3.070 -3.027) 5.631 4.585 ( -0.421 26.788 -3.251) 26.988 5.079 ( -1.970 14.026 0.909) 14.193 5.118 ( -4.071 -18.130 -0.673) 18.593 5.368 ( -0.281 -12.926 -1.310) 12.996 6.231 ( -2.972 5.902 -3.882) 7.664 6.376 ( -3.744 -7.277 -1.507) 8.322 7.013 ( -3.706 9.276 -0.345) 9.995 7.165 ( 4.724 10.176 2.865) 11.579 7.237 ( -1.655 -9.094 -3.517) 9.890 7.417 ( 3.502 -11.559 3.309) 12.523 7.904 ( -3.759 2.346 1.308) 4.620 7.993 ( -2.160 -5.787 0.399) 6.190 8.509 ( 3.923 4.163 2.806) 6.371 8.584 ( 3.249 -2.669 2.055) 4.680 11.901 ( -0.544 6.814 -0.255) 6.841 12.037 ( -0.174 -5.220 -1.329) 5.390 12.735 ( 1.559 4.029 -1.334) 4.522 12.828 ( 1.351 -3.782 -0.166) 4.019 12.876 ( 0.681 0.362 1.527) 1.710 12.894 ( 0.305 -1.251 1.355) 1.869 13.789 ( 0.697 4.186 -0.638) 4.292 13.870 ( 0.893 -2.985 -0.156) 3.119 14.142 ( 0.147 1.657 0.521) 1.743 14.189 ( 0.474 -2.565 0.332) 2.629 14.520 ( -0.279 4.630 -2.247) 5.154 14.636 ( -0.155 -5.857 -3.253) 6.702 ======================= Grid point 134 (76/168) ======================= q-point: ( 0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.789 9.303 11.677) 15.679 1.992 ( 2.959 -3.283 8.284) 9.389 2.208 ( 6.633 6.934 14.039) 17.005 2.424 ( 3.461 -9.979 11.824) 15.855 2.958 ( -0.003 10.125 12.480) 16.071 3.109 ( -1.971 -2.596 5.485) 6.380 3.676 ( -7.223 0.424 6.791) 9.923 3.717 ( -6.611 -2.328 3.222) 7.714 4.059 ( 7.959 5.083 -0.747) 9.473 4.126 ( 9.295 -2.861 0.816) 9.759 4.563 ( -0.404 24.011 -0.677) 24.024 5.016 ( -5.632 -6.573 4.376) 9.699 5.066 ( 0.089 6.432 -3.281) 7.221 5.374 ( 1.387 -15.236 -2.264) 15.465 6.159 ( -2.810 5.054 -2.684) 6.375 6.299 ( -3.748 -7.763 0.403) 8.630 6.932 ( -4.557 7.720 0.317) 8.970 7.153 ( -3.340 -10.860 -2.568) 11.649 7.290 ( 4.400 10.706 4.179) 12.307 7.524 ( 5.700 -9.034 2.363) 10.940 7.842 ( -3.150 2.084 1.762) 4.168 7.939 ( -3.230 -6.456 0.987) 7.286 8.596 ( 3.807 4.181 1.324) 5.808 8.668 ( 4.581 -2.415 0.790) 5.238 11.891 ( -0.508 7.001 0.057) 7.019 12.033 ( 0.291 -5.616 -1.042) 5.719 12.763 ( 1.768 4.052 -1.644) 4.717 12.837 ( -0.373 -1.792 -0.370) 1.868 12.883 ( -0.330 0.453 1.161) 1.289 12.921 ( 1.733 -3.594 1.768) 4.364 13.806 ( 1.295 4.112 -0.608) 4.354 13.889 ( 1.113 -3.300 -0.153) 3.487 14.148 ( 0.326 1.969 0.034) 1.996 14.194 ( 0.055 -2.211 -0.382) 2.245 14.506 ( -0.157 4.617 -1.995) 5.032 14.622 ( 0.124 -5.822 -2.846) 6.482 ======================= Grid point 135 (77/168) ======================= q-point: ( 0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 8.255 4.467 7.719) 12.152 2.082 ( 4.129 -3.516 5.597) 7.793 2.411 ( 7.694 6.335 11.976) 15.580 2.524 ( 1.859 -3.214 8.601) 9.369 2.977 ( -2.036 8.213 8.058) 11.684 3.111 ( -1.004 -2.790 4.636) 5.503 3.560 ( -8.262 -0.280 6.944) 10.796 3.598 ( -7.322 -2.941 2.433) 8.257 4.167 ( 3.333 13.182 -2.081) 13.755 4.291 ( 7.329 -2.685 1.249) 7.904 4.592 ( 3.998 16.169 0.633) 16.668 4.947 ( -3.127 -8.100 5.064) 10.051 5.078 ( 2.114 10.088 -1.958) 10.492 5.391 ( 1.020 -15.403 -1.640) 15.524 6.110 ( -1.527 4.325 -0.662) 4.634 6.245 ( -2.689 -7.639 2.769) 8.559 6.853 ( -4.188 7.778 2.305) 9.129 7.091 ( -2.190 -13.199 -0.819) 13.405 7.356 ( 0.148 11.960 4.424) 12.753 7.614 ( 1.324 -10.842 2.691) 11.249 7.821 ( 1.289 3.196 0.426) 3.472 7.917 ( 1.124 -5.353 1.770) 5.749 8.651 ( 1.688 5.284 -0.394) 5.561 8.750 ( 3.724 -3.638 -0.688) 5.251 11.883 ( -0.377 7.472 0.440) 7.495 12.039 ( 0.670 -6.288 -0.726) 6.365 12.776 ( 0.338 2.666 -1.830) 3.251 12.817 ( -1.320 -1.006 -0.366) 1.700 12.888 ( 0.410 1.924 1.099) 2.253 12.960 ( 1.493 -4.573 1.369) 5.001 13.829 ( 1.354 3.847 -0.652) 4.130 13.908 ( 0.959 -3.178 -0.369) 3.340 14.153 ( 0.328 1.533 -0.567) 1.667 14.188 ( -0.414 -1.581 -1.155) 2.001 14.498 ( 0.189 4.804 -1.706) 5.101 14.617 ( 0.572 -5.904 -2.346) 6.379 ======================= Grid point 136 (78/168) ======================= q-point: ( 0.36 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 6.663 3.136 4.107) 8.432 2.223 ( 8.981 -2.505 2.669) 9.699 2.544 ( -1.488 5.390 3.382) 6.534 2.581 ( 2.955 0.780 11.525) 11.923 2.962 ( -3.046 7.173 5.493) 9.535 3.098 ( -2.158 -3.575 3.690) 5.573 3.428 ( -8.476 -1.212 7.246) 11.217 3.456 ( -8.358 -3.052 1.860) 9.090 4.178 ( -0.405 20.647 -1.608) 20.714 4.414 ( 5.178 -4.861 1.824) 7.332 4.711 ( 7.759 9.205 -0.532) 12.050 4.952 ( 1.291 -5.803 4.804) 7.643 5.117 ( 2.278 8.189 -1.004) 8.559 5.389 ( -0.875 -13.811 -0.274) 13.841 6.097 ( -0.089 3.555 1.724) 3.952 6.218 ( -1.962 -6.576 4.462) 8.185 6.801 ( -2.830 8.582 4.778) 10.222 7.066 ( -0.432 -15.096 0.953) 15.133 7.341 ( -3.230 11.340 4.235) 12.529 7.590 ( -3.837 -11.226 2.714) 12.170 7.893 ( 4.920 4.552 -0.094) 6.703 7.993 ( 5.266 -4.482 1.644) 7.108 8.656 ( -0.564 6.856 -1.784) 7.107 8.796 ( 1.664 -5.732 -1.861) 6.252 11.881 ( -0.182 8.029 0.792) 8.070 12.051 ( 0.797 -7.005 -0.431) 7.063 12.764 ( -0.567 1.518 -1.504) 2.212 12.790 ( -1.297 -0.732 -0.444) 1.554 12.904 ( 0.717 2.730 0.509) 2.868 12.985 ( 0.459 -4.530 1.213) 4.712 13.848 ( 0.908 3.576 -0.712) 3.758 13.921 ( 0.588 -2.814 -0.737) 2.967 14.155 ( 0.199 0.672 -1.021) 1.238 14.171 ( -0.622 -0.848 -1.642) 1.950 14.498 ( 0.574 5.102 -1.492) 5.347 14.623 ( 0.940 -6.038 -1.963) 6.418 ======================= Grid point 137 (79/168) ======================= q-point: ( 0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 3.698 5.261 1.360) 6.573 2.392 ( 6.155 -5.031 -0.507) 7.966 2.480 ( -4.044 10.249 2.047) 11.206 2.624 ( -3.414 -3.299 6.278) 7.872 2.889 ( -6.252 7.157 0.857) 9.542 3.049 ( -5.217 -5.638 1.463) 7.820 3.333 ( -4.340 -0.907 8.557) 9.638 3.346 ( -3.993 -1.866 9.049) 10.066 4.169 ( 0.250 25.160 0.220) 25.162 4.510 ( 4.253 -7.892 1.983) 9.182 4.843 ( 5.551 7.573 -1.981) 9.596 5.030 ( 5.137 -4.611 2.105) 7.217 5.143 ( 0.577 4.871 0.189) 4.909 5.356 ( -2.639 -11.632 1.651) 12.042 6.116 ( 0.707 2.477 3.615) 4.439 6.206 ( -1.511 -4.753 5.165) 7.180 6.791 ( -0.787 9.520 6.573) 11.596 7.082 ( 1.387 -16.384 2.385) 16.615 7.285 ( -4.351 10.908 3.750) 12.327 7.525 ( -3.942 -10.901 2.067) 11.775 7.972 ( 2.919 6.218 0.386) 6.880 8.099 ( 4.557 -5.087 1.529) 6.999 8.623 ( -1.633 8.295 -2.812) 8.909 8.799 ( -0.122 -7.591 -2.813) 8.097 11.883 ( 0.054 8.431 1.016) 8.492 12.064 ( 0.689 -7.511 -0.210) 7.545 12.749 ( -0.382 1.126 -1.320) 1.777 12.767 ( -0.825 -0.544 -0.536) 1.125 12.913 ( 0.114 2.538 -0.008) 2.541 12.989 ( -0.558 -4.253 1.239) 4.464 13.857 ( 0.298 3.468 -0.688) 3.548 13.923 ( 0.134 -2.352 -1.109) 2.604 14.147 ( -0.493 0.226 -1.869) 1.947 14.157 ( -0.054 -0.774 -1.123) 1.365 14.506 ( 0.843 5.381 -1.402) 5.624 14.634 ( 1.120 -6.155 -1.782) 6.505 ======================= Grid point 138 (80/168) ======================= q-point: (-0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -8.108 7.293 0.507) 10.917 2.337 ( -8.766 0.272 2.091) 9.016 2.529 ( 2.017 -1.342 -1.199) 2.703 2.572 ( 0.392 -1.726 -0.591) 1.866 2.741 ( -9.056 6.999 1.110) 11.499 2.928 ( -6.207 -7.578 -0.294) 9.800 3.348 ( 1.154 2.109 9.750) 10.042 3.391 ( 2.153 -1.691 14.201) 14.462 4.198 ( 2.464 27.713 1.786) 27.879 4.590 ( 3.154 -8.783 0.864) 9.372 4.868 ( -1.991 9.317 -2.524) 9.856 5.109 ( -2.367 -8.919 1.141) 9.298 5.169 ( 5.517 3.485 1.111) 6.620 5.333 ( -0.176 -9.258 3.696) 9.970 6.149 ( 0.849 1.629 4.114) 4.506 6.210 ( -0.245 -3.335 5.059) 6.065 6.829 ( 1.625 10.725 6.942) 12.879 7.139 ( 3.245 -16.401 3.312) 17.044 7.212 ( -4.906 10.950 2.888) 12.342 7.459 ( -3.695 -11.535 0.846) 12.142 7.998 ( -0.513 7.767 1.276) 7.888 8.158 ( 0.416 -6.556 2.451) 7.011 8.582 ( -0.897 9.229 -3.707) 9.986 8.774 ( -0.883 -8.214 -3.658) 9.035 11.891 ( 0.311 8.532 1.055) 8.603 12.074 ( 0.467 -7.611 -0.117) 7.626 12.739 ( 0.043 0.908 -1.370) 1.644 12.753 ( -0.384 -0.374 -0.734) 0.909 12.908 ( -0.635 2.083 -0.297) 2.198 12.976 ( -1.361 -4.003 1.312) 4.427 13.854 ( -0.255 3.544 -0.589) 3.601 13.917 ( -0.278 -1.875 -1.298) 2.297 14.128 ( -0.473 0.509 -1.882) 2.006 14.152 ( 0.004 -1.609 -0.956) 1.871 14.517 ( 0.970 5.552 -1.422) 5.813 14.648 ( 1.152 -6.238 -1.794) 6.592 ======================= Grid point 139 (81/168) ======================= q-point: (-0.36 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -11.418 5.131 3.122) 12.902 2.134 ( -11.091 -1.156 2.552) 11.439 2.449 ( -10.147 0.765 2.717) 10.533 2.540 ( -6.752 -6.279 3.536) 9.875 2.681 ( 4.120 7.842 -3.437) 9.501 2.854 ( -1.368 -7.005 -0.426) 7.150 3.445 ( 4.346 4.528 9.763) 11.606 3.513 ( 4.013 -1.668 12.771) 13.490 4.272 ( 4.136 27.213 2.166) 27.611 4.610 ( -2.156 -5.474 -0.907) 5.953 4.763 ( -7.520 9.954 -1.524) 12.567 5.028 ( -5.225 -8.721 4.111) 10.966 5.278 ( 4.081 -2.119 2.417) 5.195 5.378 ( 2.623 -7.871 3.184) 8.887 6.183 ( 1.084 2.083 3.400) 4.132 6.247 ( 2.006 -3.472 4.206) 5.811 6.902 ( 2.413 12.382 6.447) 14.167 7.133 ( -3.815 11.508 1.286) 12.191 7.226 ( 3.767 -15.971 3.886) 16.863 7.394 ( -3.002 -12.425 -1.137) 12.833 7.973 ( -2.475 7.429 2.229) 8.142 8.134 ( -4.020 -6.923 3.514) 8.743 8.558 ( -0.126 8.822 -3.961) 9.672 8.736 ( -1.408 -7.445 -3.905) 8.524 11.903 ( 0.479 8.336 0.883) 8.396 12.080 ( 0.214 -7.251 -0.190) 7.257 12.738 ( 0.343 0.649 -1.460) 1.634 12.746 ( 0.009 -0.133 -0.970) 0.979 12.888 ( -1.268 1.657 -0.346) 2.115 12.950 ( -2.004 -3.750 1.311) 4.450 13.843 ( -0.679 3.756 -0.469) 3.845 13.903 ( -0.529 -1.505 -1.255) 2.030 14.115 ( -0.060 0.501 -1.467) 1.551 14.148 ( -0.032 -2.263 -0.878) 2.427 14.529 ( 0.974 5.588 -1.540) 5.878 14.661 ( 1.081 -6.298 -1.982) 6.690 ======================= Grid point 140 (82/168) ======================= q-point: (-0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -12.327 7.330 7.713) 16.284 2.000 ( -5.144 -5.523 5.073) 9.094 2.233 ( -13.892 5.269 7.489) 16.638 2.418 ( -8.418 -10.091 7.274) 15.020 2.750 ( 3.678 4.593 -2.457) 6.376 2.850 ( 0.589 -4.273 0.239) 4.320 3.588 ( 6.223 4.821 8.854) 11.847 3.642 ( 4.168 -0.075 9.880) 10.724 4.343 ( 0.731 18.886 1.322) 18.947 4.480 ( -10.341 -1.256 -0.261) 10.420 4.602 ( -7.473 14.046 -0.582) 15.921 4.990 ( -0.794 -8.939 4.166) 9.894 5.336 ( 0.716 -4.047 3.475) 5.382 5.435 ( 1.562 -8.161 3.132) 8.880 6.225 ( 2.168 3.446 2.024) 4.547 6.316 ( 3.442 -4.582 2.974) 6.457 6.949 ( -0.763 14.942 6.109) 16.160 7.100 ( 0.532 10.482 -1.060) 10.549 7.284 ( -0.815 -13.730 3.783) 14.265 7.358 ( 1.242 -13.399 -2.593) 13.704 7.943 ( -1.379 4.669 2.425) 5.439 8.061 ( -4.646 -5.803 3.803) 8.350 8.531 ( -1.279 7.795 -3.099) 8.485 8.684 ( -2.423 -6.237 -3.107) 7.377 11.915 ( 0.412 7.958 0.521) 7.986 12.080 ( -0.039 -6.582 -0.444) 6.597 12.736 ( 0.148 0.797 -1.328) 1.556 12.750 ( 0.897 -0.262 -0.957) 1.337 12.859 ( -1.580 1.344 -0.259) 2.091 12.913 ( -2.310 -3.341 1.200) 4.235 13.826 ( -0.873 4.013 -0.375) 4.124 13.887 ( -0.618 -1.298 -1.068) 1.791 14.115 ( 0.623 -0.072 -0.829) 1.039 14.144 ( -0.009 -2.429 -0.739) 2.539 14.539 ( 0.850 5.501 -1.757) 5.837 14.671 ( 0.892 -6.324 -2.336) 6.800 ======================= Grid point 141 (83/168) ======================= q-point: (-0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -8.089 12.284 12.758) 19.470 1.966 ( -2.113 -7.087 7.706) 10.680 2.013 ( -13.107 6.524 11.556) 18.651 2.297 ( -8.085 -14.424 10.508) 19.591 2.773 ( -1.823 8.067 4.871) 9.598 2.895 ( 4.146 -4.403 1.345) 6.195 3.733 ( 3.617 3.275 7.725) 9.137 3.746 ( 3.191 1.527 7.719) 8.491 4.237 ( -11.092 2.321 0.857) 11.365 4.270 ( -10.367 -1.933 0.112) 10.546 4.553 ( 1.678 26.458 -1.909) 26.580 5.013 ( 1.328 -5.944 2.210) 6.480 5.334 ( -2.322 -4.939 2.684) 6.082 5.460 ( -0.529 -9.076 3.632) 9.790 6.276 ( 2.449 4.822 0.111) 5.410 6.394 ( 3.434 -5.718 1.433) 6.822 6.948 ( -1.015 15.932 5.268) 16.811 7.120 ( 1.477 9.897 -2.189) 10.243 7.254 ( -2.071 -10.991 1.256) 11.254 7.390 ( 1.668 -14.254 -0.615) 14.364 7.947 ( 0.725 1.257 1.576) 2.142 8.009 ( -2.401 -4.244 3.247) 5.859 8.484 ( -2.489 7.178 -1.307) 7.709 8.620 ( -3.171 -5.319 -1.472) 6.365 11.922 ( 0.123 7.555 0.073) 7.556 12.075 ( -0.240 -5.899 -0.845) 5.964 12.733 ( 0.059 1.432 -1.105) 1.810 12.768 ( 1.143 -1.233 -0.383) 1.724 12.831 ( -1.072 1.408 0.019) 1.770 12.879 ( -1.545 -2.639 0.911) 3.191 13.808 ( -0.794 4.148 -0.375) 4.240 13.871 ( -0.554 -1.294 -0.836) 1.638 14.131 ( 1.155 -1.103 -0.221) 1.613 14.142 ( 0.045 -1.999 -0.355) 2.030 14.545 ( 0.588 5.317 -2.035) 5.723 14.674 ( 0.573 -6.283 -2.790) 6.898 ======================= Grid point 142 (84/168) ======================= q-point: (-0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -3.992 15.134 15.497) 22.026 1.842 ( -10.168 14.356 16.889) 24.387 1.988 ( -0.059 -12.456 7.318) 14.446 2.220 ( -5.070 -17.295 13.192) 22.335 2.754 ( -3.735 16.415 14.269) 22.069 3.006 ( 5.863 -7.915 4.469) 10.816 3.760 ( -2.428 1.879 6.348) 7.052 3.815 ( -1.809 -1.934 8.372) 8.781 4.030 ( -8.450 3.123 -0.781) 9.042 4.127 ( -4.628 -4.634 -1.749) 6.779 4.581 ( 2.156 27.378 -4.050) 27.760 5.053 ( 2.200 -3.050 0.327) 3.775 5.279 ( -4.305 -5.677 1.852) 7.362 5.445 ( -2.459 -9.934 2.722) 10.589 6.308 ( 1.065 5.935 -2.080) 6.378 6.446 ( 1.493 -6.374 -0.509) 6.566 6.972 ( 1.255 15.415 5.228) 16.326 7.124 ( 0.148 8.861 -3.051) 9.373 7.236 ( -0.154 -8.518 0.715) 8.549 7.403 ( -0.231 -15.243 -0.113) 15.245 7.973 ( 1.078 -0.552 0.078) 1.213 7.994 ( -0.635 -2.765 2.379) 3.703 8.440 ( -1.696 6.412 1.137) 6.729 8.561 ( -2.532 -4.613 0.522) 5.288 11.921 ( -0.213 7.210 -0.284) 7.219 12.064 ( -0.384 -5.427 -1.275) 5.588 12.726 ( -0.226 2.149 -1.126) 2.437 12.783 ( 0.520 -2.895 0.454) 2.976 12.829 ( 0.730 1.892 0.583) 2.110 12.869 ( 0.104 -1.735 0.611) 1.843 13.794 ( -0.500 4.121 -0.497) 4.180 13.860 ( -0.228 -1.618 -0.600) 1.741 14.140 ( -0.046 -0.829 -0.013) 0.830 14.155 ( 1.095 -2.213 0.457) 2.511 14.543 ( 0.227 5.068 -2.274) 5.559 14.668 ( 0.190 -6.161 -3.197) 6.944 ======================= Grid point 165 (85/168) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -6.605 0.000 25.795) 26.627 1.709 ( -4.223 0.000 19.241) 19.699 2.286 ( -0.780 0.000 2.014) 2.160 2.838 ( 3.119 0.000 32.877) 33.024 3.037 ( -2.485 0.000 -6.224) 6.701 3.072 ( 1.493 0.000 12.789) 12.876 3.594 ( -3.731 0.000 -4.520) 5.861 3.916 ( 1.475 0.000 2.987) 3.331 3.943 ( 1.191 0.000 -1.097) 1.619 3.999 ( -5.623 0.000 0.317) 5.632 4.357 ( 6.829 0.000 -2.484) 7.267 4.684 ( -10.568 0.000 13.096) 16.828 5.560 ( -7.554 0.000 -0.966) 7.615 5.603 ( 1.715 0.000 -4.291) 4.621 6.033 ( -2.242 0.000 -6.288) 6.676 6.735 ( 0.581 0.000 -6.125) 6.153 6.770 ( 1.404 0.000 9.111) 9.218 6.846 ( 2.818 0.000 4.852) 5.611 7.379 ( -0.097 0.000 -3.867) 3.868 7.564 ( -2.418 0.000 -7.606) 7.981 8.081 ( -1.059 0.000 5.482) 5.583 8.293 ( 1.660 0.000 2.048) 2.636 8.359 ( 0.720 0.000 5.305) 5.353 8.649 ( 0.037 0.000 2.904) 2.904 11.742 ( -0.268 0.000 1.062) 1.096 12.104 ( -0.304 0.000 -2.202) 2.223 12.606 ( -0.413 0.000 -2.042) 2.084 12.844 ( 1.878 0.000 1.859) 2.643 12.919 ( -0.474 0.000 0.753) 0.890 12.962 ( 2.233 0.000 2.052) 3.033 13.641 ( -0.105 0.000 -1.853) 1.856 13.911 ( 1.657 0.000 1.539) 2.261 14.153 ( -1.376 0.000 0.085) 1.378 14.258 ( 0.386 0.000 -0.932) 1.009 14.395 ( 0.058 0.000 -1.297) 1.299 14.737 ( -0.008 0.000 -4.351) 4.351 ======================= Grid point 166 (86/168) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.703 0.000 24.733) 24.743 1.756 ( 1.234 0.000 16.475) 16.522 2.286 ( -0.164 0.000 2.994) 2.999 2.932 ( -6.391 0.000 -2.462) 6.849 3.046 ( 3.098 0.000 26.437) 26.618 3.152 ( 1.140 0.000 14.318) 14.364 3.464 ( -6.527 0.000 -6.082) 8.922 3.877 ( -5.690 0.000 -2.483) 6.208 3.944 ( -0.115 0.000 3.793) 3.795 4.037 ( 8.088 0.000 -1.583) 8.241 4.470 ( 5.677 0.000 -0.891) 5.747 4.557 ( -8.659 0.000 13.244) 15.824 5.420 ( -6.869 0.000 1.592) 7.051 5.632 ( 3.209 0.000 -4.457) 5.492 5.974 ( -0.928 0.000 -6.028) 6.099 6.720 ( 0.552 0.000 -5.280) 5.309 6.775 ( -3.583 0.000 4.465) 5.725 6.978 ( 6.473 0.000 10.251) 12.124 7.379 ( 2.588 0.000 -5.952) 6.491 7.484 ( -2.409 0.000 -6.268) 6.715 8.092 ( -0.613 0.000 5.897) 5.929 8.294 ( -2.432 0.000 1.704) 2.969 8.409 ( 2.487 0.000 3.329) 4.155 8.673 ( 1.198 0.000 2.942) 3.177 11.740 ( -0.539 0.000 1.268) 1.378 12.097 ( 0.588 0.000 -2.190) 2.267 12.603 ( 0.995 0.000 -1.612) 1.894 12.872 ( 0.197 0.000 1.075) 1.093 12.907 ( -0.864 0.000 0.521) 1.009 13.026 ( 3.312 0.000 1.544) 3.655 13.642 ( 1.091 0.000 -1.792) 2.098 13.947 ( 1.472 0.000 1.141) 1.862 14.131 ( -1.018 0.000 0.937) 1.384 14.253 ( -0.475 0.000 -1.199) 1.290 14.387 ( -0.315 0.000 -1.323) 1.361 14.721 ( 0.285 0.000 -3.881) 3.892 ======================= Grid point 167 (87/168) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 4.329 0.000 18.950) 19.438 1.899 ( 7.290 0.000 10.756) 12.994 2.302 ( 0.141 0.000 2.952) 2.955 2.793 ( -7.833 0.000 3.683) 8.656 3.135 ( -1.575 0.000 13.416) 13.508 3.251 ( 1.002 0.000 14.734) 14.768 3.323 ( -4.866 0.000 -7.323) 8.792 3.756 ( -5.812 0.000 -3.056) 6.567 3.939 ( -3.014 0.000 6.837) 7.471 4.224 ( 11.546 0.000 -0.851) 11.577 4.484 ( -3.852 0.000 9.351) 10.113 4.562 ( 3.910 0.000 1.454) 4.172 5.331 ( -4.355 0.000 7.059) 8.295 5.677 ( 3.326 0.000 -4.211) 5.366 5.952 ( 1.132 0.000 -4.300) 4.447 6.697 ( -6.235 0.000 4.172) 7.502 6.717 ( 1.119 0.000 -2.465) 2.707 7.130 ( 3.726 0.000 11.050) 11.661 7.429 ( -0.499 0.000 -5.385) 5.408 7.435 ( 6.481 0.000 -6.496) 9.176 8.103 ( -1.069 0.000 6.440) 6.528 8.219 ( -5.879 0.000 0.365) 5.890 8.466 ( 1.842 0.000 1.689) 2.499 8.724 ( 3.482 0.000 1.142) 3.664 11.733 ( -0.829 0.000 1.447) 1.668 12.107 ( 1.509 0.000 -2.073) 2.564 12.625 ( 1.866 0.000 -1.608) 2.463 12.862 ( -1.372 0.000 0.074) 1.374 12.890 ( -1.083 0.000 0.286) 1.120 13.093 ( 2.967 0.000 1.410) 3.285 13.665 ( 1.992 0.000 -1.667) 2.597 13.972 ( 0.687 0.000 0.537) 0.872 14.126 ( -0.062 0.000 1.377) 1.379 14.231 ( -1.169 0.000 -1.578) 1.964 14.373 ( -0.475 0.000 -1.459) 1.534 14.716 ( 0.817 0.000 -3.291) 3.391 ======================= Grid point 168 (88/168) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 1.513 0.000 9.559) 9.678 2.105 ( 10.494 0.000 3.882) 11.189 2.306 ( -1.254 0.000 3.297) 3.527 2.703 ( -3.734 0.000 9.233) 9.960 3.122 ( -4.831 0.000 4.519) 6.615 3.225 ( -2.564 0.000 -5.241) 5.835 3.299 ( -1.162 0.000 11.286) 11.346 3.633 ( -5.070 0.000 -3.422) 6.117 3.882 ( -6.913 0.000 9.730) 11.936 4.443 ( 10.951 0.000 1.725) 11.086 4.503 ( 3.011 0.000 2.619) 3.990 4.629 ( 1.907 0.000 3.219) 3.741 5.311 ( -2.265 0.000 11.002) 11.233 5.710 ( 1.751 0.000 -3.376) 3.803 5.983 ( 3.617 0.000 -1.897) 4.084 6.590 ( -6.952 0.000 5.163) 8.660 6.744 ( 1.735 0.000 1.929) 2.594 7.201 ( -0.483 0.000 8.757) 8.770 7.419 ( 1.808 0.000 -5.355) 5.652 7.557 ( 8.018 0.000 -3.987) 8.955 8.089 ( -7.172 0.000 -1.387) 7.305 8.111 ( -0.945 0.000 6.456) 6.525 8.482 ( -0.624 0.000 0.454) 0.772 8.813 ( 5.393 0.000 -0.796) 5.451 11.722 ( -0.937 0.000 1.628) 1.879 12.134 ( 2.112 0.000 -1.909) 2.846 12.651 ( 1.479 0.000 -2.115) 2.581 12.828 ( -1.851 0.000 -0.497) 1.916 12.873 ( -0.765 0.000 0.395) 0.861 13.146 ( 1.829 0.000 1.587) 2.422 13.697 ( 2.091 0.000 -1.703) 2.697 13.976 ( -0.390 0.000 -0.022) 0.391 14.138 ( 0.565 0.000 1.526) 1.627 14.199 ( -1.219 0.000 -1.771) 2.150 14.358 ( -0.345 0.000 -1.642) 1.678 14.723 ( 1.278 0.000 -2.818) 3.094 ======================= Grid point 169 (89/168) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -2.465 0.000 1.867) 3.093 2.268 ( -1.267 0.000 2.616) 2.907 2.324 ( 8.833 0.000 -0.565) 8.851 2.731 ( 1.095 0.000 9.938) 9.998 2.978 ( -9.934 0.000 -3.949) 10.690 3.186 ( -0.045 0.000 -0.548) 0.549 3.269 ( -6.475 0.000 0.782) 6.522 3.599 ( 1.151 0.000 10.939) 11.000 3.768 ( -9.514 0.000 9.960) 13.774 4.611 ( 8.194 0.000 -3.253) 8.816 4.630 ( 4.965 0.000 4.247) 6.533 4.661 ( 2.467 0.000 1.067) 2.687 5.335 ( -0.336 0.000 11.328) 11.333 5.713 ( -0.236 0.000 -1.685) 1.701 6.066 ( 4.992 0.000 0.488) 5.016 6.489 ( -6.192 0.000 6.204) 8.765 6.787 ( 0.686 0.000 6.020) 6.059 7.198 ( -3.492 0.000 8.001) 8.730 7.447 ( 3.509 0.000 -5.444) 6.477 7.675 ( 5.557 0.000 -2.723) 6.188 7.955 ( -5.476 0.000 -2.749) 6.127 8.129 ( 0.129 0.000 5.623) 5.624 8.457 ( -1.807 0.000 -0.079) 1.809 8.901 ( 4.181 0.000 -2.289) 4.766 11.713 ( -0.779 0.000 1.801) 1.962 12.167 ( 2.150 0.000 -1.795) 2.801 12.659 ( 0.586 0.000 -2.645) 2.709 12.794 ( -1.431 0.000 -0.509) 1.519 12.868 ( -0.066 0.000 0.542) 0.546 13.175 ( 0.453 0.000 1.932) 1.984 13.725 ( 1.552 0.000 -1.804) 2.379 13.958 ( -1.320 0.000 -0.427) 1.387 14.142 ( -0.933 0.000 0.079) 0.937 14.188 ( 0.855 0.000 -0.182) 0.874 14.347 ( 0.028 0.000 -1.772) 1.772 14.738 ( 1.467 0.000 -2.570) 2.959 ======================= Grid point 170 (90/168) ======================= q-point: (-0.55 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 1.009 0.000 -1.335) 1.673 2.222 ( -3.889 0.000 4.472) 5.927 2.488 ( 8.233 0.000 -6.050) 10.217 2.744 ( -11.574 0.000 -5.067) 12.634 2.782 ( -0.614 0.000 7.812) 7.836 3.100 ( -8.594 0.000 -5.753) 10.342 3.219 ( 2.774 0.000 2.536) 3.759 3.623 ( -9.458 0.000 8.774) 12.901 3.723 ( 2.674 0.000 21.757) 21.921 4.607 ( -4.212 0.000 0.827) 4.293 4.767 ( 10.176 0.000 -6.791) 12.234 4.776 ( 4.484 0.000 1.231) 4.649 5.400 ( 2.321 0.000 10.260) 10.519 5.692 ( -1.553 0.000 0.370) 1.596 6.157 ( 3.663 0.000 1.813) 4.087 6.415 ( -4.317 0.000 6.541) 7.837 6.811 ( -1.414 0.000 7.858) 7.984 7.147 ( -5.641 0.000 9.203) 10.794 7.499 ( 4.180 0.000 -4.806) 6.369 7.737 ( 2.335 0.000 -3.031) 3.826 7.867 ( -2.580 0.000 -3.132) 4.058 8.162 ( 0.915 0.000 4.197) 4.295 8.424 ( -1.483 0.000 0.708) 1.643 8.938 ( 0.939 0.000 -3.736) 3.852 11.710 ( -0.425 0.000 1.866) 1.913 12.195 ( 1.582 0.000 -1.785) 2.385 12.655 ( 0.382 0.000 -2.789) 2.815 12.770 ( -0.925 0.000 -0.295) 0.971 12.872 ( 0.166 0.000 0.367) 0.403 13.181 ( -0.767 0.000 2.258) 2.385 13.739 ( 0.682 0.000 -1.704) 1.836 13.927 ( -1.685 0.000 -0.689) 1.821 14.121 ( -0.794 0.000 -0.564) 0.974 14.211 ( 1.048 0.000 0.714) 1.268 14.345 ( 0.503 0.000 -1.794) 1.863 14.754 ( 1.416 0.000 -2.555) 2.921 ======================= Grid point 171 (91/168) ======================= q-point: (-0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 7.857 0.000 -1.929) 8.091 2.173 ( -3.575 0.000 5.664) 6.697 2.435 ( -11.015 0.000 -5.277) 12.214 2.657 ( 5.220 0.000 -5.656) 7.696 2.765 ( -4.835 0.000 8.622) 9.885 2.934 ( -6.100 0.000 -4.126) 7.364 3.290 ( 3.522 0.000 0.572) 3.568 3.518 ( -4.822 0.000 8.660) 9.912 3.852 ( -0.116 0.000 24.194) 24.194 4.507 ( -5.516 0.000 -2.534) 6.070 4.811 ( -1.648 0.000 1.271) 2.081 4.919 ( 8.684 0.000 -7.550) 11.507 5.508 ( 4.321 0.000 9.229) 10.191 5.662 ( -1.824 0.000 1.316) 2.249 6.210 ( 1.016 0.000 1.908) 2.162 6.389 ( -1.293 0.000 6.285) 6.416 6.807 ( -2.182 0.000 6.697) 7.044 7.077 ( -6.567 0.000 12.162) 13.821 7.555 ( 3.508 0.000 -3.466) 4.931 7.728 ( -1.357 0.000 -6.562) 6.701 7.839 ( 0.897 0.000 -0.624) 1.093 8.187 ( -0.073 0.000 2.420) 2.422 8.413 ( -0.548 0.000 2.922) 2.973 8.906 ( -2.072 0.000 -5.193) 5.591 11.713 ( -0.029 0.000 1.739) 1.739 12.209 ( 0.630 0.000 -1.852) 1.957 12.653 ( 0.726 0.000 -2.702) 2.797 12.754 ( -0.806 0.000 -0.182) 0.827 12.874 ( -0.105 0.000 0.008) 0.105 13.166 ( -1.846 0.000 2.499) 3.107 13.736 ( -0.267 0.000 -1.235) 1.264 13.893 ( -1.357 0.000 -0.849) 1.601 14.111 ( -0.011 0.000 -0.389) 0.389 14.228 ( 0.443 0.000 0.699) 0.828 14.350 ( 0.911 0.000 -1.747) 1.970 14.768 ( 1.254 0.000 -2.768) 3.039 ======================= Grid point 172 (92/168) ======================= q-point: (-0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -9.329 0.000 9.191) 13.096 2.200 ( 5.703 0.000 0.796) 5.758 2.241 ( -4.538 0.000 -2.578) 5.219 2.705 ( -3.159 0.000 8.380) 8.956 2.731 ( 4.331 0.000 -3.945) 5.858 2.838 ( -3.063 0.000 -0.882) 3.187 3.362 ( 5.087 0.000 -2.630) 5.727 3.523 ( 0.554 0.000 9.376) 9.392 3.921 ( -2.720 0.000 20.293) 20.475 4.394 ( -4.857 0.000 -2.888) 5.651 4.723 ( -8.304 0.000 2.403) 8.645 5.014 ( 3.988 0.000 -5.012) 6.405 5.631 ( 4.359 0.000 8.000) 9.111 5.640 ( -0.722 0.000 0.037) 0.723 6.216 ( -0.913 0.000 1.172) 1.486 6.425 ( 2.322 0.000 5.890) 6.331 6.795 ( -1.318 0.000 3.288) 3.543 6.999 ( -8.216 0.000 15.243) 17.317 7.596 ( 2.151 0.000 -2.343) 3.181 7.649 ( -3.075 0.000 -7.826) 8.408 7.884 ( 3.739 0.000 0.027) 3.739 8.181 ( -1.267 0.000 1.417) 1.901 8.416 ( -1.466 0.000 5.093) 5.300 8.829 ( -3.073 0.000 -6.085) 6.817 11.723 ( 0.223 0.000 1.440) 1.457 12.203 ( -0.310 0.000 -1.936) 1.961 12.659 ( 1.025 0.000 -2.566) 2.763 12.738 ( -0.695 0.000 -0.077) 0.700 12.867 ( -0.543 0.000 -0.232) 0.590 13.132 ( -2.952 0.000 2.629) 3.953 13.720 ( -0.875 0.000 -0.633) 1.080 13.870 ( -0.772 0.000 -0.779) 1.097 14.118 ( 0.888 0.000 -0.245) 0.921 14.234 ( -0.056 0.000 0.464) 0.468 14.363 ( 1.124 0.000 -1.685) 2.026 14.777 ( 1.040 0.000 -3.197) 3.362 ======================= Grid point 173 (93/168) ======================= q-point: (-0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -11.869 0.000 14.100) 18.430 2.161 ( -11.693 0.000 10.513) 15.724 2.221 ( 0.998 0.000 -0.234) 1.025 2.754 ( -2.967 0.000 3.924) 4.919 2.805 ( 10.372 0.000 0.507) 10.385 2.828 ( 2.626 0.000 1.352) 2.954 3.459 ( 6.674 0.000 -6.252) 9.145 3.606 ( 3.472 0.000 11.543) 12.054 3.944 ( -1.505 0.000 11.459) 11.557 4.298 ( -4.836 0.000 -0.019) 4.836 4.536 ( -12.145 0.000 3.527) 12.647 5.023 ( -1.688 0.000 -0.066) 1.689 5.632 ( 0.211 0.000 -2.358) 2.368 5.726 ( 2.142 0.000 5.931) 6.306 6.193 ( -1.605 0.000 -0.164) 1.614 6.522 ( 4.977 0.000 5.545) 7.451 6.784 ( -0.562 0.000 -0.665) 0.870 6.894 ( -9.707 0.000 14.859) 17.748 7.557 ( -3.427 0.000 -5.251) 6.270 7.620 ( 1.643 0.000 -2.399) 2.908 7.977 ( 6.087 0.000 -0.484) 6.106 8.159 ( -1.638 0.000 1.292) 2.086 8.392 ( -3.677 0.000 6.609) 7.563 8.749 ( -2.530 0.000 -5.410) 5.972 11.733 ( 0.204 0.000 1.085) 1.104 12.182 ( -0.915 0.000 -1.999) 2.199 12.666 ( 0.766 0.000 -2.565) 2.677 12.732 ( 0.083 0.000 0.365) 0.374 12.855 ( -0.463 0.000 0.007) 0.463 13.078 ( -3.898 0.000 2.625) 4.699 13.700 ( -0.953 0.000 -0.431) 1.046 13.857 ( -0.306 0.000 -0.257) 0.399 14.142 ( 1.749 0.000 -0.482) 1.814 14.232 ( -0.234 0.000 0.274) 0.360 14.377 ( 1.101 0.000 -1.609) 1.950 14.779 ( 0.746 0.000 -3.756) 3.829 ======================= Grid point 174 (94/168) ======================= q-point: (-0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -9.573 0.000 19.406) 21.638 1.940 ( -16.386 0.000 17.306) 23.833 2.249 ( 1.771 0.000 0.349) 1.805 2.702 ( -5.469 0.000 13.082) 14.179 2.902 ( 2.694 0.000 7.002) 7.503 2.994 ( 8.699 0.000 -4.622) 9.851 3.551 ( 6.086 0.000 -6.523) 8.922 3.742 ( 4.964 0.000 10.247) 11.386 3.976 ( 0.485 0.000 5.311) 5.333 4.205 ( -5.158 0.000 0.947) 5.244 4.329 ( -9.704 0.000 2.335) 9.981 4.956 ( -6.470 0.000 5.200) 8.300 5.621 ( -0.053 0.000 -3.682) 3.682 5.752 ( -1.626 0.000 3.000) 3.413 6.155 ( -1.821 0.000 -2.195) 2.852 6.643 ( 4.559 0.000 5.714) 7.310 6.767 ( -0.118 0.000 -3.695) 3.697 6.786 ( -6.683 0.000 11.302) 13.130 7.476 ( -3.316 0.000 -2.519) 4.164 7.637 ( 1.475 0.000 -4.420) 4.660 8.101 ( 6.774 0.000 0.083) 6.775 8.128 ( -2.469 0.000 2.157) 3.279 8.351 ( -3.477 0.000 7.618) 8.374 8.688 ( -1.998 0.000 -2.965) 3.575 11.739 ( 0.024 0.000 0.861) 0.861 12.154 ( -1.095 0.000 -2.059) 2.332 12.659 ( -0.361 0.000 -2.705) 2.729 12.749 ( 1.444 0.000 1.176) 1.862 12.858 ( 0.827 0.000 0.683) 1.072 13.013 ( -3.929 0.000 2.507) 4.661 13.680 ( -0.907 0.000 -0.871) 1.258 13.858 ( 0.328 0.000 0.655) 0.733 14.172 ( 1.424 0.000 -1.131) 1.818 14.232 ( 0.257 0.000 0.208) 0.330 14.389 ( 0.874 0.000 -1.499) 1.735 14.772 ( 0.382 0.000 -4.257) 4.274 ======================= Grid point 175 (95/168) ======================= q-point: (-0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -7.255 0.000 20.446) 21.695 1.736 ( -13.517 0.000 22.605) 26.338 2.282 ( 1.026 0.000 0.512) 1.146 2.699 ( -2.809 0.000 26.290) 26.440 2.986 ( 2.033 0.000 10.981) 11.167 3.071 ( 2.282 0.000 -6.821) 7.193 3.620 ( 3.039 0.000 -4.970) 5.826 3.856 ( 3.123 0.000 5.940) 6.711 3.968 ( -3.718 0.000 5.189) 6.383 4.107 ( -5.217 0.000 -1.862) 5.540 4.260 ( 2.773 0.000 -1.222) 3.030 4.831 ( -9.903 0.000 9.915) 14.014 5.604 ( 0.249 0.000 -4.025) 4.033 5.690 ( -5.469 0.000 0.101) 5.470 6.102 ( -2.274 0.000 -4.635) 5.163 6.709 ( -0.396 0.000 9.999) 10.007 6.750 ( 0.452 0.000 -5.529) 5.548 6.785 ( 2.173 0.000 4.487) 4.986 7.413 ( -2.130 0.000 -2.242) 3.092 7.625 ( -0.347 0.000 -7.192) 7.200 8.092 ( -2.446 0.000 4.340) 4.981 8.220 ( 5.083 0.000 1.308) 5.248 8.337 ( -1.352 0.000 7.089) 7.217 8.651 ( -1.158 0.000 0.392) 1.223 11.742 ( -0.117 0.000 0.880) 0.888 12.125 ( -0.891 0.000 -2.137) 2.316 12.632 ( -1.088 0.000 -2.529) 2.753 12.793 ( 2.361 0.000 1.865) 3.008 12.892 ( 2.115 0.000 1.020) 2.348 12.961 ( -2.532 0.000 2.308) 3.426 13.658 ( -0.791 0.000 -1.533) 1.725 13.877 ( 1.166 0.000 1.412) 1.831 14.175 ( -0.571 0.000 -0.852) 1.026 14.247 ( 1.102 0.000 -0.492) 1.207 14.396 ( 0.498 0.000 -1.374) 1.462 14.757 ( 0.066 0.000 -4.493) 4.494 ======================= Grid point 176 (96/168) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -3.182 5.751 16.901) 18.134 1.868 ( -5.363 15.377 22.728) 27.960 2.253 ( -0.097 -3.093 2.585) 4.032 2.795 ( -0.362 -11.001 9.477) 14.525 2.963 ( 1.888 7.430 26.891) 27.963 3.227 ( 1.430 5.435 2.885) 6.317 3.739 ( -3.842 9.432 -0.490) 10.196 3.920 ( -0.510 -1.442 -1.936) 2.467 3.929 ( 1.881 3.153 0.535) 3.710 3.997 ( -5.366 1.148 0.562) 5.516 4.224 ( 2.673 -5.801 1.047) 6.472 4.897 ( -5.909 13.727 8.023) 16.963 5.459 ( -2.296 -9.715 -3.647) 10.628 5.562 ( -3.809 -3.255 0.151) 5.013 6.080 ( -1.848 4.011 -6.115) 7.543 6.589 ( -0.911 -8.368 -0.847) 8.460 6.894 ( 1.013 4.295 1.215) 4.577 6.920 ( 3.482 8.760 4.568) 10.475 7.328 ( -0.376 -4.361 -3.436) 5.565 7.539 ( -1.276 -2.952 -6.149) 6.939 8.025 ( -0.716 -3.527 2.788) 4.552 8.226 ( -1.807 -8.227 5.864) 10.264 8.396 ( 2.998 5.040 2.986) 6.580 8.637 ( 0.160 -1.104 2.949) 3.153 11.790 ( -0.309 4.201 0.740) 4.277 12.087 ( -0.327 -1.720 -2.035) 2.684 12.627 ( -0.171 2.007 -1.934) 2.793 12.851 ( 1.533 0.422 1.437) 2.143 12.910 ( -0.783 -1.416 1.060) 1.934 12.924 ( 2.604 -2.553 1.460) 3.928 13.677 ( -0.008 3.164 -1.802) 3.641 13.899 ( 1.257 -1.159 1.035) 1.999 14.147 ( -0.922 -0.351 0.273) 1.024 14.232 ( 0.610 -2.221 -0.778) 2.431 14.421 ( 0.013 2.278 -1.440) 2.695 14.691 ( -0.010 -3.903 -3.934) 5.542 ======================= Grid point 177 (97/168) ======================= q-point: ( 0.09 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.055 5.555 15.442) 16.411 1.926 ( 1.356 14.700 19.738) 24.648 2.267 ( 0.378 -1.652 3.365) 3.767 2.800 ( -2.908 -9.219 5.632) 11.187 3.113 ( 0.675 4.982 24.320) 24.834 3.231 ( -2.434 4.338 7.607) 9.089 3.660 ( -2.633 15.270 -4.763) 16.211 3.869 ( -4.927 -0.722 -1.932) 5.342 3.940 ( -1.495 1.314 4.238) 4.682 4.012 ( 7.193 -1.623 -0.072) 7.375 4.290 ( 3.155 -5.457 3.188) 7.064 4.831 ( -4.278 14.681 6.673) 16.684 5.367 ( -5.742 -5.894 1.005) 8.290 5.541 ( 1.497 -6.882 -3.081) 7.687 6.025 ( -0.975 4.067 -5.686) 7.058 6.566 ( -1.298 -9.333 0.121) 9.424 6.869 ( -2.079 4.263 -1.047) 4.857 7.059 ( 6.353 7.105 8.203) 12.575 7.311 ( 0.346 -5.399 -5.229) 7.524 7.496 ( 0.195 -0.034 -5.514) 5.518 8.020 ( -1.375 -4.884 4.090) 6.517 8.207 ( -2.820 -8.067 4.237) 9.538 8.465 ( 2.997 4.610 2.225) 5.932 8.665 ( 1.346 -0.827 2.771) 3.189 11.786 ( -0.512 4.078 0.974) 4.224 12.079 ( 0.419 -1.776 -1.915) 2.646 12.628 ( 1.158 2.362 -1.669) 3.115 12.870 ( -0.054 -0.370 0.700) 0.793 12.903 ( -0.529 -0.378 0.581) 0.872 12.984 ( 3.011 -3.474 1.323) 4.784 13.679 ( 1.042 3.217 -1.762) 3.814 13.928 ( 1.252 -1.858 0.699) 2.347 14.134 ( -0.699 0.316 0.800) 1.109 14.232 ( -0.226 -1.789 -1.076) 2.100 14.412 ( -0.287 2.222 -1.383) 2.633 14.677 ( 0.252 -3.784 -3.481) 5.148 ======================= Grid point 178 (98/168) ======================= q-point: ( 0.18 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 4.449 3.973 12.451) 13.806 2.060 ( 4.429 10.936 11.844) 16.718 2.298 ( 1.205 0.685 4.053) 4.284 2.746 ( -4.599 -4.019 5.747) 8.387 3.148 ( -4.355 1.760 11.541) 12.461 3.250 ( -0.767 0.454 12.141) 12.174 3.599 ( -1.424 19.656 -6.861) 20.868 3.766 ( -5.416 2.043 -0.401) 5.803 3.904 ( -4.783 -2.262 6.927) 8.717 4.193 ( 10.639 -1.337 1.232) 10.793 4.373 ( 4.205 -2.946 3.802) 6.388 4.800 ( -1.600 13.835 4.900) 14.764 5.283 ( -4.407 -5.005 6.210) 9.113 5.570 ( 2.848 -8.250 -3.400) 9.367 5.999 ( 0.530 3.468 -3.835) 5.197 6.542 ( -2.023 -9.181 2.666) 9.772 6.820 ( -2.443 4.561 -0.283) 5.182 7.200 ( 3.908 6.122 8.935) 11.515 7.292 ( 0.351 -7.640 -5.506) 9.423 7.521 ( 5.108 2.827 -5.066) 7.730 8.004 ( -2.479 -6.666 4.159) 8.239 8.155 ( -4.131 -6.652 3.811) 8.709 8.519 ( 1.722 4.327 0.732) 4.714 8.714 ( 3.206 -0.910 0.764) 3.419 11.779 ( -0.704 4.124 1.203) 4.353 12.086 ( 1.229 -2.017 -1.713) 2.918 12.651 ( 1.851 2.440 -1.705) 3.505 12.857 ( -1.318 -0.523 -0.082) 1.421 12.891 ( -0.874 0.123 0.319) 0.939 13.045 ( 2.781 -4.094 1.183) 5.089 13.700 ( 1.826 3.036 -1.696) 3.928 13.949 ( 0.755 -2.129 0.184) 2.266 14.130 ( -0.056 0.467 0.996) 1.102 14.215 ( -0.951 -1.357 -1.486) 2.226 14.399 ( -0.369 2.332 -1.423) 2.757 14.672 ( 0.730 -3.762 -2.945) 4.833 ======================= Grid point 179 (99/168) ======================= q-point: ( 0.27 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 5.205 3.300 8.185) 10.246 2.168 ( 4.128 4.159 2.900) 6.538 2.342 ( 0.958 5.571 3.112) 6.453 2.710 ( -1.779 0.155 8.743) 8.924 3.085 ( -5.865 0.181 2.988) 6.585 3.277 ( -1.633 -2.004 9.574) 9.917 3.543 ( -1.630 17.975 -3.246) 18.338 3.660 ( -4.947 7.602 -2.025) 9.294 3.824 ( -7.289 -4.352 9.352) 12.630 4.391 ( 8.816 -1.003 2.791) 9.302 4.489 ( 6.542 -1.386 2.655) 7.195 4.809 ( 0.465 12.816 3.219) 13.222 5.254 ( -2.423 -5.630 9.393) 11.216 5.607 ( 2.049 -8.257 -2.200) 8.788 6.015 ( 2.445 2.461 -1.359) 3.726 6.506 ( -3.650 -6.988 5.047) 9.361 6.792 ( -0.676 3.712 2.270) 4.404 7.261 ( -0.182 3.081 2.865) 4.211 7.295 ( 1.545 -6.396 -0.063) 6.580 7.631 ( 7.571 3.869 -3.530) 9.206 7.946 ( -5.181 -7.778 1.790) 9.516 8.116 ( -1.434 -3.858 5.034) 6.502 8.528 ( -0.771 4.103 -0.699) 4.233 8.789 ( 4.463 -2.105 -1.343) 5.114 11.771 ( -0.742 4.335 1.422) 4.622 12.108 ( 1.767 -2.394 -1.510) 3.337 12.675 ( 1.305 2.206 -2.070) 3.295 12.825 ( -1.773 -0.367 -0.541) 1.890 12.878 ( -0.520 0.516 0.363) 0.817 13.095 ( 1.782 -4.408 1.310) 4.932 13.728 ( 1.911 2.729 -1.767) 3.771 13.956 ( -0.003 -1.882 -0.298) 1.905 14.139 ( 0.434 0.109 1.055) 1.146 14.186 ( -1.221 -1.047 -1.766) 2.389 14.387 ( -0.171 2.589 -1.538) 3.017 14.678 ( 1.155 -3.844 -2.547) 4.754 ======================= Grid point 180 (100/168) ======================= q-point: ( 0.36 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.492 8.234 2.520) 8.625 2.296 ( 8.178 -1.831 -0.401) 8.390 2.329 ( -3.191 6.985 1.080) 7.755 2.754 ( 1.250 1.133 8.160) 8.333 2.946 ( -8.522 -0.014 -2.544) 8.893 3.227 ( -5.797 -3.174 -2.765) 7.164 3.548 ( 0.143 24.949 5.400) 25.527 3.592 ( -0.830 1.695 6.302) 6.579 3.714 ( -8.795 -4.180 10.402) 14.248 4.553 ( 7.712 -1.135 1.321) 7.906 4.617 ( 4.820 -1.069 1.714) 5.226 4.841 ( 2.110 11.852 0.911) 12.072 5.271 ( -0.058 -6.199 9.182) 11.079 5.620 ( -0.094 -7.833 -0.537) 7.852 6.077 ( 3.818 1.175 1.131) 4.151 6.450 ( -4.587 -3.949 5.892) 8.447 6.808 ( 0.037 2.215 5.970) 6.368 7.250 ( -2.259 2.841 3.225) 4.855 7.329 ( 2.242 -7.130 -0.318) 7.481 7.744 ( 5.139 3.199 -3.143) 6.821 7.849 ( -4.696 -5.849 0.889) 7.553 8.142 ( 1.665 -1.509 4.721) 5.228 8.492 ( -2.263 3.716 -1.562) 4.623 8.856 ( 3.213 -3.971 -2.845) 5.847 11.765 ( -0.586 4.606 1.602) 4.912 12.137 ( 1.815 -2.817 -1.382) 3.625 12.681 ( 0.413 1.906 -2.354) 3.057 12.791 ( -1.427 -0.282 -0.569) 1.562 12.876 ( 0.033 0.816 0.374) 0.898 13.123 ( 0.499 -4.507 1.629) 4.819 13.753 ( 1.450 2.462 -1.859) 3.409 13.947 ( -0.723 -1.185 -0.615) 1.518 14.140 ( -1.007 -0.156 -0.424) 1.103 14.170 ( 0.580 -1.312 -0.265) 1.459 14.380 ( 0.215 2.906 -1.657) 3.352 14.692 ( 1.351 -3.971 -2.374) 4.819 ======================= Grid point 181 (101/168) ======================= q-point: (-0.55 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 1.515 13.693 -1.307) 13.839 2.254 ( -4.451 3.307 3.339) 6.472 2.436 ( 6.883 -3.794 -4.322) 8.969 2.698 ( -9.861 -1.135 -3.013) 10.373 2.838 ( -2.015 1.455 3.568) 4.348 3.081 ( -5.983 -1.835 -5.671) 8.445 3.543 ( -0.189 24.304 -0.289) 24.306 3.587 ( -7.757 -1.785 9.846) 12.661 3.709 ( 2.531 0.336 22.461) 22.605 4.646 ( -1.385 0.932 1.280) 2.104 4.699 ( 6.265 -0.423 -1.732) 6.514 4.907 ( 5.047 8.321 -2.023) 9.940 5.333 ( 2.554 -6.604 7.925) 10.628 5.604 ( -1.591 -7.536 1.271) 7.806 6.153 ( 3.030 0.144 2.508) 3.936 6.395 ( -3.676 -2.195 6.062) 7.422 6.830 ( -1.127 2.028 7.835) 8.171 7.205 ( -4.575 4.595 6.371) 9.090 7.381 ( 3.655 -9.044 -1.983) 9.954 7.744 ( -2.761 -6.759 -2.765) 7.808 7.833 ( 1.655 5.242 0.605) 5.530 8.209 ( 3.313 0.955 3.356) 4.812 8.437 ( -2.697 2.527 -1.302) 3.918 8.876 ( 0.485 -5.396 -4.151) 6.825 11.763 ( -0.291 4.814 1.663) 5.102 12.161 ( 1.359 -3.139 -1.366) 3.683 12.675 ( 0.230 1.748 -2.374) 2.957 12.767 ( -0.926 -0.295 -0.381) 1.044 12.878 ( 0.014 0.729 0.156) 0.746 13.129 ( -0.663 -4.483 1.952) 4.934 13.766 ( 0.738 2.370 -1.777) 3.053 13.926 ( -1.133 -0.295 -0.756) 1.393 14.116 ( -0.885 -0.366 -1.015) 1.395 14.187 ( 0.772 -1.859 0.508) 2.076 14.381 ( 0.619 3.152 -1.725) 3.646 14.707 ( 1.331 -4.079 -2.408) 4.920 ======================= Grid point 182 (102/168) ======================= q-point: (-0.45 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -2.684 6.362 2.356) 7.296 2.248 ( 1.959 6.931 1.265) 7.313 2.425 ( -7.388 -0.277 -5.635) 9.296 2.578 ( 2.118 -4.250 -3.286) 5.775 2.772 ( -5.969 -1.860 2.068) 6.586 2.989 ( -2.687 1.203 -1.260) 3.202 3.492 ( -3.873 4.086 7.598) 9.457 3.572 ( 1.041 18.602 1.806) 18.719 3.852 ( 1.536 1.550 23.780) 23.880 4.579 ( -4.506 5.588 -2.994) 7.777 4.765 ( 0.402 -2.697 -0.066) 2.728 5.000 ( 5.698 6.487 -3.739) 9.409 5.426 ( 3.650 -8.255 6.118) 10.904 5.585 ( -0.885 -6.273 3.193) 7.094 6.203 ( 0.923 -0.151 2.499) 2.669 6.372 ( -1.298 -1.782 5.744) 6.152 6.836 ( -1.427 3.024 6.943) 7.706 7.140 ( -5.880 5.396 9.667) 12.536 7.444 ( 3.988 -9.415 -2.712) 10.578 7.671 ( -3.596 -7.165 -3.379) 8.700 7.861 ( 0.852 5.518 1.449) 5.768 8.282 ( 2.781 4.676 1.222) 5.576 8.384 ( -2.689 -0.951 0.983) 3.016 8.841 ( -1.782 -5.655 -5.430) 8.040 11.768 ( 0.036 4.901 1.537) 5.136 12.174 ( 0.593 -3.211 -1.451) 3.573 12.672 ( 0.558 1.626 -2.264) 2.842 12.751 ( -0.753 -0.279 -0.266) 0.845 12.876 ( -0.352 0.374 -0.085) 0.521 13.115 ( -1.689 -4.377 2.173) 5.170 13.765 ( -0.040 2.508 -1.451) 2.898 13.901 ( -1.096 0.413 -0.777) 1.406 14.102 ( -0.151 -0.670 -0.785) 1.043 14.200 ( 0.329 -2.302 0.472) 2.373 14.388 ( 0.910 3.241 -1.756) 3.797 14.720 ( 1.192 -4.142 -2.626) 5.048 ======================= Grid point 183 (103/168) ======================= q-point: (-0.36 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -6.267 0.673 7.941) 10.138 2.174 ( -6.681 0.061 1.404) 6.827 2.383 ( 2.014 8.463 -2.470) 9.043 2.599 ( -0.163 -4.958 2.136) 5.401 2.698 ( -0.308 -4.234 -0.461) 4.270 2.945 ( -1.825 1.596 0.927) 2.595 3.511 ( 2.455 6.214 6.586) 9.382 3.602 ( 1.143 16.206 2.108) 16.382 3.966 ( 0.398 4.261 19.863) 20.319 4.465 ( -5.478 6.300 -5.246) 9.860 4.706 ( -6.855 -1.530 1.449) 7.171 5.071 ( 2.636 5.027 -1.401) 5.846 5.499 ( 2.214 -10.469 0.750) 10.727 5.619 ( 2.118 -3.621 6.464) 7.706 6.212 ( -0.679 0.115 1.591) 1.733 6.401 ( 1.829 -2.439 4.956) 5.819 6.841 ( -0.696 4.586 4.282) 6.313 7.064 ( -7.416 5.512 12.266) 15.357 7.501 ( 3.439 -8.799 -4.554) 10.488 7.584 ( -3.792 -6.272 -2.754) 7.830 7.886 ( 1.247 3.163 2.199) 4.049 8.295 ( -1.465 7.141 -1.315) 7.407 8.362 ( -1.059 -4.131 4.813) 6.431 8.774 ( -2.245 -4.688 -6.048) 7.975 11.777 ( 0.236 4.872 1.234) 5.031 12.171 ( -0.179 -2.991 -1.597) 3.395 12.676 ( 0.837 1.497 -2.130) 2.735 12.737 ( -0.494 -0.108 -0.132) 0.522 12.864 ( -0.768 0.007 -0.152) 0.783 13.084 ( -2.686 -4.163 2.266) 5.448 13.753 ( -0.654 2.751 -1.044) 3.015 13.880 ( -0.768 0.711 -0.638) 1.226 14.104 ( 0.743 -1.046 -0.521) 1.385 14.204 ( -0.064 -2.527 0.273) 2.542 14.399 ( 1.034 3.170 -1.770) 3.775 14.729 ( 0.978 -4.170 -3.012) 5.236 ======================= Grid point 184 (104/168) ======================= q-point: (-0.27 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -10.748 2.004 13.001) 16.987 2.136 ( -2.060 -0.927 4.771) 5.279 2.310 ( -8.516 4.549 6.043) 11.390 2.668 ( 5.528 -1.562 1.235) 5.875 2.730 ( 1.510 -6.706 3.260) 7.608 2.939 ( 1.231 0.724 1.283) 1.920 3.615 ( 5.393 12.441 -0.875) 13.588 3.653 ( 3.368 8.406 8.408) 12.357 4.038 ( -0.407 7.187 12.596) 14.508 4.333 ( -5.970 3.882 -5.255) 8.851 4.536 ( -11.479 -0.070 2.963) 11.855 5.083 ( -1.547 4.710 2.771) 5.679 5.527 ( 1.344 -9.139 -2.981) 9.707 5.688 ( 1.305 -3.979 6.698) 7.899 6.199 ( -0.941 0.958 -0.029) 1.344 6.478 ( 4.021 -4.099 3.859) 6.918 6.840 ( -1.364 6.112 2.768) 6.847 6.971 ( -7.052 6.055 10.027) 13.672 7.486 ( -2.608 -6.723 -4.737) 8.628 7.557 ( 1.732 -5.980 -1.354) 6.371 7.932 ( 2.600 -0.418 1.724) 3.147 8.256 ( -1.946 1.750 1.224) 2.890 8.350 ( -2.479 0.250 4.081) 4.781 8.712 ( -1.792 -3.290 -4.998) 6.247 11.786 ( 0.190 4.762 0.860) 4.843 12.155 ( -0.706 -2.593 -1.758) 3.211 12.681 ( 0.438 1.276 -2.085) 2.483 12.737 ( 0.627 0.442 0.263) 0.811 12.848 ( -0.745 -0.372 0.151) 0.846 13.035 ( -3.478 -3.750 2.226) 5.578 13.734 ( -0.886 2.862 -0.877) 3.122 13.867 ( -0.399 0.693 -0.219) 0.829 14.125 ( 1.617 -1.385 -0.528) 2.194 14.201 ( -0.204 -2.598 0.121) 2.609 14.411 ( 0.973 2.981 -1.753) 3.592 14.730 ( 0.676 -4.175 -3.496) 5.487 ======================= Grid point 185 (105/168) ======================= q-point: (-0.18 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -8.324 3.559 17.363) 19.582 2.056 ( -10.834 7.586 14.979) 19.982 2.231 ( -1.189 -2.039 2.751) 3.625 2.742 ( -1.715 0.393 11.013) 11.153 2.771 ( 2.222 -6.670 4.559) 8.379 3.019 ( 6.052 -0.929 1.607) 6.330 3.698 ( 5.106 14.241 -2.367) 15.313 3.788 ( 5.171 3.714 7.886) 10.135 4.053 ( -2.390 6.979 4.932) 8.873 4.201 ( -5.666 0.679 -3.044) 6.467 4.329 ( -10.616 -0.031 2.286) 10.859 5.045 ( -4.406 6.672 6.119) 10.069 5.523 ( -0.098 -8.662 -3.998) 9.540 5.708 ( -2.027 -4.262 4.709) 6.667 6.177 ( -0.988 2.193 -2.273) 3.309 6.568 ( 3.466 -6.786 1.933) 7.861 6.808 ( -3.366 8.174 6.281) 10.844 6.913 ( -1.643 6.932 2.045) 7.412 7.417 ( -3.013 -5.325 -1.705) 6.351 7.581 ( 1.624 -5.570 -3.797) 6.934 7.989 ( 2.302 -3.221 1.336) 4.178 8.241 ( -1.039 -4.270 4.068) 5.988 8.318 ( -2.028 5.287 3.519) 6.667 8.664 ( -1.535 -2.200 -2.410) 3.606 11.791 ( -0.008 4.606 0.597) 4.644 12.131 ( -0.897 -2.179 -1.910) 3.033 12.672 ( -0.423 1.229 -2.174) 2.533 12.763 ( 1.742 1.064 0.853) 2.213 12.846 ( 0.473 -0.982 0.861) 1.388 12.977 ( -3.415 -3.114 2.038) 5.050 13.713 ( -0.863 2.859 -1.125) 3.191 13.864 ( 0.094 0.392 0.429) 0.589 14.154 ( 1.454 -1.481 -0.855) 2.244 14.201 ( 0.260 -2.610 0.118) 2.625 14.419 ( 0.743 2.725 -1.681) 3.287 14.723 ( 0.326 -4.142 -3.919) 5.711 ======================= Grid point 186 (106/168) ======================= q-point: (-0.09 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -5.862 5.083 17.985) 19.587 1.925 ( -10.309 12.785 20.881) 26.566 2.241 ( 0.416 -3.861 1.890) 4.319 2.756 ( -1.657 -5.432 13.848) 14.967 2.842 ( 0.989 1.684 15.675) 15.796 3.145 ( 5.756 1.402 1.632) 6.145 3.769 ( 1.729 11.829 -0.221) 11.956 3.881 ( 2.113 2.804 3.634) 5.052 3.986 ( -5.099 1.698 0.550) 5.403 4.097 ( -4.871 1.398 -0.831) 5.136 4.204 ( -2.066 -3.105 -0.266) 3.739 4.976 ( -5.931 10.452 7.996) 14.435 5.496 ( -0.608 -9.534 -4.238) 10.451 5.653 ( -5.068 -3.639 2.358) 6.670 6.138 ( -1.576 3.306 -4.656) 5.924 6.604 ( 0.025 -8.015 -0.295) 8.020 6.815 ( 1.397 8.867 7.207) 11.512 6.908 ( 0.379 6.527 -1.094) 6.629 7.361 ( -2.016 -4.580 -1.738) 5.297 7.578 ( 0.144 -4.754 -5.679) 7.408 8.020 ( 0.377 -3.534 1.642) 3.915 8.235 ( -2.141 -8.229 6.793) 10.883 8.332 ( 2.060 7.006 2.683) 7.779 8.636 ( -0.915 -1.478 0.762) 1.898 11.792 ( -0.169 4.408 0.572) 4.448 12.106 ( -0.774 -1.864 -2.025) 2.859 12.648 ( -0.909 1.560 -2.200) 2.846 12.807 ( 2.208 1.039 1.478) 2.853 12.875 ( 1.903 -1.718 1.369) 2.907 12.931 ( -2.169 -2.324 1.619) 3.567 13.692 ( -0.663 2.969 -1.565) 3.421 13.875 ( 0.764 -0.286 0.957) 1.258 14.161 ( -0.311 -1.097 -0.458) 1.229 14.216 ( 1.222 -2.535 -0.405) 2.843 14.423 ( 0.396 2.467 -1.562) 2.947 14.709 ( 0.046 -4.046 -4.099) 5.760 ======================= Grid point 187 (107/168) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -2.066 8.560 11.834) 14.751 2.097 ( -2.818 -3.090 9.602) 10.473 2.236 ( 0.114 10.063 15.044) 18.100 2.519 ( -0.556 -13.551 13.659) 19.249 3.152 ( 3.012 7.778 16.235) 18.252 3.263 ( 3.514 -2.088 7.318) 8.382 3.816 ( -4.139 1.470 2.372) 4.992 3.863 ( -2.597 -2.769 -1.174) 3.974 3.975 ( -2.071 1.178 4.310) 4.925 4.025 ( -2.886 -3.113 3.071) 5.239 4.491 ( 2.079 27.905 -5.618) 28.540 5.032 ( 0.987 -14.852 -4.273) 15.486 5.272 ( -5.511 4.985 5.732) 9.385 5.452 ( -5.305 -7.220 4.505) 10.029 6.202 ( -1.683 7.278 -5.436) 9.238 6.389 ( -1.562 -9.547 -2.945) 10.112 7.024 ( -1.154 7.316 -3.496) 8.190 7.127 ( 2.870 7.095 1.065) 7.728 7.216 ( -0.224 -2.605 -0.006) 2.614 7.402 ( 0.937 -9.748 -0.474) 9.805 7.978 ( -1.156 -0.089 1.103) 1.600 8.044 ( -1.435 -6.464 3.165) 7.339 8.511 ( 1.637 4.880 3.677) 6.325 8.595 ( 0.663 -2.880 3.345) 4.464 11.907 ( -0.361 5.947 -0.164) 5.960 12.022 ( -0.364 -4.299 -1.310) 4.509 12.696 ( 0.345 4.315 -1.312) 4.523 12.804 ( 0.767 -5.125 -0.081) 5.183 12.880 ( 1.213 0.692 1.462) 2.022 12.900 ( 0.790 -0.905 0.949) 1.531 13.765 ( 0.125 4.529 -1.428) 4.751 13.853 ( 0.467 -3.213 -0.286) 3.259 14.147 ( 0.140 0.555 0.349) 0.670 14.178 ( 0.831 -2.283 -0.218) 2.440 14.490 ( -0.062 4.026 -1.957) 4.476 14.590 ( -0.052 -4.977 -2.916) 5.768 ======================= Grid point 188 (108/168) ======================= q-point: ( 0.09 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.182 7.712 10.575) 13.090 2.102 ( -0.754 -3.016 8.087) 8.664 2.321 ( 2.320 10.432 13.277) 17.044 2.574 ( 0.264 -11.389 11.411) 16.125 3.226 ( -2.467 4.556 15.599) 16.437 3.281 ( -3.874 -0.095 7.751) 8.666 3.814 ( 0.795 1.045 -0.185) 1.326 3.842 ( -2.056 -1.679 -0.559) 2.712 3.978 ( 2.413 0.913 3.573) 4.407 4.021 ( 2.294 -1.735 6.241) 6.872 4.511 ( 2.213 26.177 -4.306) 26.621 5.022 ( -0.160 -11.676 -4.065) 12.364 5.200 ( -4.779 3.986 6.406) 8.931 5.385 ( -3.231 -7.825 3.883) 9.314 6.145 ( -1.677 7.335 -4.724) 8.884 6.344 ( -1.861 -10.500 -1.506) 10.770 6.980 ( -2.134 6.523 -2.169) 7.197 7.141 ( -0.803 -6.867 -3.925) 7.951 7.267 ( 4.509 8.265 4.308) 10.354 7.440 ( 3.510 -5.785 -0.894) 6.826 7.948 ( -2.705 -0.515 2.432) 3.673 8.022 ( -2.428 -7.065 2.797) 7.977 8.565 ( 2.457 4.099 2.647) 5.463 8.633 ( 1.812 -2.195 2.721) 3.938 11.900 ( -0.322 5.832 0.111) 5.842 12.014 ( 0.048 -4.262 -1.055) 4.391 12.707 ( 1.410 4.805 -1.419) 5.205 12.820 ( 0.923 -4.759 -0.556) 4.879 12.900 ( 0.219 0.342 0.908) 0.994 12.919 ( 0.915 -1.629 1.004) 2.122 13.769 ( 0.896 4.680 -1.408) 4.969 13.865 ( 0.896 -3.876 -0.415) 3.999 14.149 ( -0.059 1.198 0.285) 1.233 14.186 ( 0.157 -2.125 -0.527) 2.195 14.480 ( -0.160 3.955 -1.727) 4.319 14.578 ( 0.082 -4.889 -2.540) 5.510 ======================= Grid point 189 (109/168) ======================= q-point: ( 0.18 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 2.381 5.592 8.710) 10.621 2.132 ( 0.580 -3.357 5.976) 6.879 2.434 ( 4.224 9.984 9.126) 14.170 2.625 ( 0.841 -7.173 8.222) 10.943 3.201 ( -5.127 2.736 8.993) 10.707 3.247 ( -3.239 -1.106 8.245) 8.927 3.745 ( -5.688 1.298 -0.430) 5.850 3.794 ( -5.002 -3.132 5.286) 7.923 4.065 ( 4.727 8.344 1.163) 9.660 4.175 ( 9.080 -2.822 4.161) 10.379 4.541 ( 2.607 22.419 -1.875) 22.648 5.002 ( -0.154 -10.171 -1.796) 10.330 5.150 ( -3.664 5.683 7.488) 10.089 5.370 ( -0.213 -9.912 3.161) 10.406 6.106 ( -0.607 7.107 -2.495) 7.556 6.313 ( -1.221 -11.157 1.036) 11.271 6.931 ( -2.304 6.255 -0.278) 6.671 7.100 ( -1.508 -8.995 -2.571) 9.476 7.377 ( 4.258 8.775 3.868) 10.492 7.526 ( 6.015 -3.482 -1.609) 7.134 7.901 ( -3.488 -0.967 3.340) 4.925 7.983 ( -2.628 -7.392 3.693) 8.671 8.616 ( 1.856 3.982 0.502) 4.422 8.682 ( 2.512 -2.172 0.468) 3.354 11.896 ( -0.230 6.046 0.421) 6.065 12.016 ( 0.541 -4.561 -0.742) 4.652 12.730 ( 1.483 4.626 -1.561) 5.103 12.825 ( -0.306 -3.063 -0.786) 3.177 12.900 ( -0.265 0.900 0.504) 1.065 12.946 ( 1.590 -3.861 0.790) 4.250 13.785 ( 1.419 4.526 -1.469) 4.965 13.881 ( 0.993 -4.028 -0.696) 4.206 14.148 ( -0.128 1.177 0.045) 1.185 14.180 ( -0.465 -1.685 -0.954) 1.992 14.470 ( -0.041 4.141 -1.563) 4.427 14.572 ( 0.413 -5.007 -2.163) 5.470 ======================= Grid point 190 (110/168) ======================= q-point: ( 0.27 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 4.692 2.711 5.804) 7.940 2.178 ( 2.116 -1.814 4.181) 5.024 2.541 ( 3.462 9.397 3.270) 10.535 2.682 ( 1.751 -3.435 6.612) 7.654 3.125 ( -5.972 3.184 2.374) 7.173 3.209 ( -3.878 -4.043 3.650) 6.686 3.635 ( -5.973 1.984 3.705) 7.303 3.708 ( -6.821 -4.624 8.380) 11.753 4.135 ( 2.490 17.353 -0.579) 17.540 4.351 ( 7.232 -5.407 3.979) 9.867 4.603 ( 4.463 16.712 0.282) 17.300 5.009 ( 1.096 -12.553 0.883) 12.631 5.127 ( -2.113 10.291 6.632) 12.424 5.390 ( 0.645 -11.385 2.619) 11.700 6.105 ( 0.978 6.654 0.318) 6.733 6.306 ( -0.696 -10.687 3.279) 11.201 6.898 ( -1.409 6.319 2.117) 6.812 7.074 ( -0.370 -9.681 -0.897) 9.729 7.438 ( 0.324 9.182 3.309) 9.766 7.626 ( 3.692 -6.322 -1.042) 7.395 7.860 ( -1.253 2.307 3.099) 4.062 7.981 ( 0.856 -7.150 4.562) 8.525 8.632 ( 0.101 4.893 -1.621) 5.155 8.726 ( 2.220 -3.651 -1.866) 4.663 11.895 ( -0.102 6.529 0.697) 6.566 12.027 ( 0.892 -5.131 -0.474) 5.229 12.742 ( 0.398 3.613 -1.624) 3.981 12.805 ( -1.229 -1.785 -0.838) 2.323 12.902 ( 0.283 1.976 0.342) 2.025 12.980 ( 1.504 -5.225 0.627) 5.473 13.806 ( 1.438 4.142 -1.633) 4.679 13.895 ( 0.769 -3.706 -1.011) 3.918 14.145 ( -0.093 0.514 -0.115) 0.535 14.162 ( -0.831 -0.996 -1.260) 1.808 14.465 ( 0.256 4.509 -1.539) 4.772 14.574 ( 0.778 -5.278 -1.951) 5.681 ======================= Grid point 191 (111/168) ======================= q-point: ( 0.36 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 3.792 2.033 2.733) 5.098 2.261 ( 5.382 -1.328 1.371) 5.710 2.567 ( -1.715 11.432 -0.100) 11.560 2.735 ( 0.164 -3.756 4.167) 5.613 2.993 ( -7.175 4.267 -3.200) 8.940 3.118 ( -5.523 -6.367 -4.391) 9.504 3.581 ( -2.951 0.537 11.807) 12.182 3.623 ( -6.388 -3.400 11.605) 13.676 4.168 ( 1.283 23.556 1.442) 23.634 4.479 ( 4.516 -7.489 3.955) 9.598 4.705 ( 5.895 11.636 -0.126) 13.045 5.043 ( 1.281 -15.027 3.282) 15.434 5.126 ( -0.048 13.654 2.586) 13.897 5.404 ( -0.448 -11.637 2.266) 11.864 6.142 ( 1.976 5.535 2.699) 6.467 6.309 ( -0.935 -8.504 4.522) 9.677 6.897 ( -0.374 6.172 4.608) 7.711 7.079 ( 1.067 -10.351 0.270) 10.410 7.426 ( -2.853 8.623 4.127) 9.976 7.625 ( -2.746 -9.209 0.711) 9.636 7.907 ( 4.071 6.387 1.780) 7.781 8.048 ( 3.924 -6.189 3.864) 8.284 8.607 ( -1.492 6.268 -3.146) 7.171 8.744 ( 0.805 -6.012 -3.509) 7.008 11.898 ( 0.020 7.078 0.884) 7.133 12.043 ( 0.963 -5.780 -0.312) 5.868 12.734 ( -0.323 2.643 -1.485) 3.048 12.777 ( -1.194 -1.195 -0.772) 1.857 12.911 ( 0.396 2.741 0.158) 2.774 13.004 ( 0.647 -5.610 0.726) 5.694 13.823 ( 1.101 3.732 -1.755) 4.268 13.901 ( 0.393 -3.092 -1.217) 3.346 14.138 ( -0.864 0.043 -0.983) 1.310 14.146 ( -0.060 -0.766 -0.450) 0.890 14.467 ( 0.596 4.898 -1.641) 5.199 14.583 ( 1.027 -5.573 -1.942) 5.990 ======================= Grid point 192 (112/168) ======================= q-point: (-0.55 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 1.934 2.843 0.751) 3.519 2.358 ( 4.165 -3.126 -1.890) 5.540 2.492 ( -4.696 12.869 -0.722) 13.718 2.668 ( -7.347 -3.390 -2.171) 8.378 2.866 ( -5.248 3.060 -1.941) 6.378 2.991 ( -4.652 -6.523 -5.295) 9.603 3.570 ( -4.062 1.282 12.948) 13.631 3.625 ( 0.110 -3.142 15.169) 15.491 4.207 ( 1.505 26.181 4.458) 26.600 4.561 ( 2.698 -7.967 3.137) 8.977 4.802 ( 3.910 8.990 -1.935) 9.993 5.084 ( 2.005 -10.826 2.869) 11.377 5.149 ( 1.479 8.187 0.364) 8.328 5.398 ( -0.921 -10.959 2.665) 11.316 6.192 ( 1.577 3.912 3.789) 5.670 6.308 ( -1.298 -5.638 4.909) 7.588 6.918 ( 0.120 6.500 5.911) 8.786 7.115 ( 2.455 -11.002 0.688) 11.294 7.377 ( -4.420 7.859 5.400) 10.510 7.564 ( -4.003 -8.861 1.789) 9.887 7.988 ( 3.203 7.817 1.368) 8.557 8.144 ( 4.156 -6.009 3.123) 7.946 8.555 ( -2.176 7.378 -3.969) 8.656 8.726 ( -0.728 -7.908 -4.637) 9.196 11.903 ( 0.125 7.481 0.935) 7.541 12.059 ( 0.772 -6.271 -0.278) 6.324 12.721 ( -0.291 2.141 -1.347) 2.546 12.755 ( -0.810 -0.946 -0.642) 1.401 12.914 ( -0.144 2.920 0.042) 2.924 13.011 ( -0.337 -5.643 0.934) 5.730 13.832 ( 0.638 3.435 -1.734) 3.900 13.899 ( 0.013 -2.363 -1.241) 2.669 14.117 ( -0.779 0.662 -1.079) 1.486 14.145 ( -0.013 -1.790 -0.150) 1.796 14.473 ( 0.851 5.171 -1.795) 5.539 14.595 ( 1.115 -5.784 -2.072) 6.244 ======================= Grid point 193 (113/168) ======================= q-point: (-0.45 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -6.178 4.479 1.925) 7.870 2.339 ( -6.502 -2.053 -1.016) 6.894 2.467 ( 2.627 5.107 -3.277) 6.612 2.545 ( -1.737 -0.579 -3.336) 3.805 2.749 ( -6.155 3.072 -0.093) 6.880 2.904 ( -3.472 -7.783 -1.164) 8.602 3.581 ( -0.450 5.732 12.007) 13.313 3.703 ( 0.975 -4.434 14.105) 14.818 4.264 ( 2.076 25.899 5.639) 26.587 4.606 ( 0.831 -6.374 1.140) 6.528 4.808 ( -2.012 9.428 -3.151) 10.142 5.134 ( -0.238 -16.635 1.143) 16.676 5.190 ( 4.525 9.701 0.936) 10.746 5.416 ( 1.562 -9.438 4.246) 10.466 6.227 ( 0.400 2.677 3.473) 4.403 6.307 ( -0.825 -3.977 4.580) 6.121 6.953 ( 1.032 8.008 5.181) 9.594 7.176 ( 3.755 -11.136 0.179) 11.754 7.307 ( -5.742 6.968 6.737) 11.266 7.491 ( -4.705 -8.793 2.280) 10.230 8.029 ( 0.317 8.939 1.834) 9.130 8.214 ( 1.187 -7.441 3.253) 8.208 8.502 ( -1.216 8.233 -4.261) 9.350 8.684 ( -1.139 -8.253 -5.441) 9.951 11.910 ( 0.212 7.613 0.814) 7.659 12.069 ( 0.439 -6.411 -0.386) 6.438 12.713 ( 0.045 1.793 -1.225) 2.172 12.740 ( -0.513 -0.751 -0.534) 1.054 12.905 ( -0.777 2.795 0.044) 2.901 13.000 ( -1.227 -5.529 1.105) 5.771 13.832 ( 0.150 3.312 -1.607) 3.684 13.891 ( -0.277 -1.699 -1.121) 2.054 14.101 ( -0.431 0.970 -0.860) 1.366 14.143 ( -0.127 -2.615 -0.089) 2.619 14.482 ( 0.969 5.274 -1.949) 5.705 14.607 ( 1.068 -5.874 -2.285) 6.392 ======================= Grid point 194 (114/168) ======================= q-point: (-0.36 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -7.564 2.814 5.503) 9.768 2.183 ( -7.880 -0.312 2.652) 8.320 2.476 ( -2.221 0.913 0.266) 2.416 2.546 ( 0.974 -3.940 -1.650) 4.381 2.671 ( -0.907 6.626 1.555) 6.867 2.850 ( -1.746 -7.857 0.095) 8.049 3.652 ( 2.615 7.180 10.149) 12.704 3.779 ( 1.105 -3.057 11.909) 12.344 4.326 ( 1.976 22.869 3.841) 23.274 4.586 ( -3.400 -1.660 -1.399) 4.034 4.717 ( -5.866 9.777 -2.589) 11.692 5.096 ( -3.272 -14.665 2.407) 15.217 5.301 ( 5.502 3.937 0.701) 6.802 5.484 ( 2.691 -8.547 5.884) 10.720 6.241 ( -0.023 2.792 2.297) 3.616 6.323 ( 0.790 -4.248 3.488) 5.554 6.999 ( 1.815 9.851 2.753) 10.388 7.219 ( -6.316 8.386 7.667) 13.000 7.252 ( 3.749 -12.672 -1.858) 13.345 7.413 ( -4.488 -8.928 3.261) 10.511 8.020 ( -1.933 8.129 2.384) 8.689 8.205 ( -3.510 -8.261 3.536) 9.647 8.480 ( 0.567 7.949 -3.536) 8.718 8.644 ( -0.557 -7.010 -5.301) 8.806 11.917 ( 0.211 7.463 0.516) 7.483 12.071 ( 0.063 -6.154 -0.634) 6.187 12.713 ( 0.368 1.469 -1.040) 1.837 12.732 ( -0.047 -0.431 -0.340) 0.551 12.886 ( -1.302 2.474 0.137) 2.799 12.974 ( -2.002 -5.236 1.175) 5.727 13.824 ( -0.288 3.406 -1.449) 3.713 13.880 ( -0.423 -1.273 -0.927) 1.631 14.094 ( 0.159 0.733 -0.594) 0.956 14.139 ( -0.177 -2.984 -0.097) 2.991 14.492 ( 0.939 5.205 -2.084) 5.685 14.615 ( 0.904 -5.846 -2.555) 6.444 ======================= Grid point 195 (115/168) ======================= q-point: (-0.27 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -7.575 4.175 9.810) 13.079 2.107 ( -2.887 -2.726 5.608) 6.871 2.387 ( -8.082 4.547 8.242) 12.407 2.541 ( -2.189 -8.766 4.729) 10.198 2.728 ( 5.036 4.963 0.894) 7.127 2.853 ( 2.459 -6.034 -0.154) 6.517 3.760 ( 4.433 6.004 7.919) 10.881 3.850 ( 1.443 -0.444 9.832) 9.947 4.345 ( -2.112 13.916 -0.418) 14.082 4.464 ( -8.251 2.531 -1.787) 8.813 4.583 ( -6.505 14.793 -0.924) 16.186 5.054 ( -2.036 -15.630 1.827) 15.868 5.382 ( 2.186 3.283 1.944) 4.397 5.549 ( 0.896 -8.422 6.801) 10.862 6.252 ( 0.519 4.063 0.474) 4.123 6.364 ( 2.044 -5.790 1.875) 6.420 7.038 ( 1.584 11.128 -0.055) 11.240 7.132 ( -5.591 8.418 6.492) 12.011 7.292 ( 0.767 -9.884 -3.217) 10.422 7.368 ( -1.265 -10.659 4.102) 11.491 7.992 ( -1.760 5.343 2.394) 6.114 8.138 ( -4.514 -7.569 3.689) 9.554 8.478 ( 0.189 7.022 -1.852) 7.265 8.615 ( -0.494 -5.487 -3.681) 6.626 11.922 ( 0.057 7.115 0.123) 7.117 12.066 ( -0.279 -5.635 -0.959) 5.723 12.715 ( 0.277 1.651 -0.807) 1.858 12.741 ( 1.039 -0.475 -0.010) 1.142 12.860 ( -1.480 1.976 0.353) 2.494 12.937 ( -2.447 -4.660 1.143) 5.386 13.809 ( -0.579 3.674 -1.332) 3.951 13.868 ( -0.453 -1.204 -0.713) 1.471 14.103 ( 0.932 0.004 -0.382) 1.007 14.137 ( -0.001 -2.815 -0.061) 2.816 14.499 ( 0.767 4.985 -2.187) 5.497 14.618 ( 0.631 -5.711 -2.848) 6.413 ======================= Grid point 196 (116/168) ======================= q-point: (-0.18 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -4.972 6.724 12.591) 15.115 2.101 ( -0.844 -5.648 6.422) 8.594 2.272 ( -8.697 8.873 13.864) 18.616 2.509 ( -4.247 -12.160 10.511) 16.624 2.847 ( 6.295 4.518 3.816) 8.637 2.946 ( 6.604 -4.583 2.763) 8.501 3.873 ( 3.860 3.731 5.719) 7.844 3.915 ( 0.915 1.574 8.411) 8.606 4.209 ( -10.237 4.251 -2.184) 11.298 4.276 ( -10.820 -1.009 -0.482) 10.878 4.508 ( -1.130 25.557 -2.458) 25.700 5.033 ( -0.528 -15.882 -0.416) 15.896 5.396 ( -1.932 4.066 3.697) 5.825 5.567 ( -2.097 -8.340 6.507) 10.784 6.260 ( 0.472 5.525 -1.883) 5.856 6.406 ( 1.695 -7.543 -0.179) 7.733 7.056 ( 0.615 12.368 -0.977) 12.422 7.077 ( -2.428 8.836 3.547) 9.826 7.266 ( -1.803 -7.481 -0.321) 7.702 7.383 ( 0.895 -12.374 0.357) 12.412 7.980 ( -0.480 2.298 1.802) 2.960 8.082 ( -2.982 -6.919 3.868) 8.469 8.472 ( -0.328 6.663 0.395) 6.682 8.592 ( -0.738 -4.416 -1.052) 4.599 11.920 ( -0.171 6.695 -0.196) 6.700 12.053 ( -0.502 -5.068 -1.249) 5.244 12.714 ( -0.080 2.593 -0.842) 2.727 12.767 ( 1.537 -1.531 0.308) 2.191 12.840 ( -0.603 1.352 0.903) 1.734 12.898 ( -1.863 -3.582 1.016) 4.163 13.792 ( -0.651 3.963 -1.320) 4.227 13.857 ( -0.372 -1.557 -0.506) 1.679 14.124 ( 1.317 -0.751 -0.274) 1.541 14.141 ( 0.440 -2.244 0.091) 2.288 14.501 ( 0.492 4.655 -2.221) 5.181 14.614 ( 0.311 -5.484 -3.073) 6.294 ======================= Grid point 197 (117/168) ======================= q-point: (-0.09 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -3.323 8.285 12.754) 15.567 2.112 ( -1.792 -7.356 6.960) 10.284 2.203 ( -4.909 12.521 17.120) 21.771 2.490 ( -2.908 -13.684 13.343) 19.333 2.997 ( 6.246 6.666 10.323) 13.785 3.110 ( 8.093 -3.845 5.907) 10.732 3.909 ( -4.497 2.872 6.389) 8.325 3.955 ( -0.658 -0.461 4.916) 4.981 4.005 ( -8.504 3.048 -0.420) 9.043 4.095 ( -6.377 -4.065 -0.733) 7.598 4.488 ( 0.676 27.648 -5.139) 28.130 5.029 ( 0.745 -15.962 -2.694) 16.205 5.349 ( -4.756 5.094 5.015) 8.586 5.528 ( -4.633 -7.836 5.463) 10.616 6.246 ( -0.615 6.672 -4.223) 7.920 6.418 ( -0.002 -8.721 -2.265) 9.010 7.052 ( -0.093 8.445 -3.939) 9.319 7.076 ( 0.762 11.899 4.065) 12.598 7.235 ( -1.285 -5.953 -0.505) 6.111 7.395 ( 0.478 -12.135 -0.673) 12.163 7.983 ( -0.077 0.505 0.999) 1.122 8.056 ( -1.681 -6.460 3.741) 7.652 8.477 ( 0.355 5.979 2.700) 6.570 8.582 ( -0.390 -3.623 1.736) 4.036 11.914 ( -0.325 6.282 -0.298) 6.297 12.037 ( -0.547 -4.599 -1.389) 4.835 12.704 ( -0.448 3.561 -1.145) 3.767 12.792 ( 0.728 -3.858 0.324) 3.940 12.850 ( 0.997 1.146 1.472) 2.115 12.885 ( 0.043 -1.809 0.937) 2.037 13.775 ( -0.441 4.237 -1.393) 4.482 13.851 ( -0.053 -2.305 -0.337) 2.330 14.140 ( 0.473 -0.421 0.110) 0.643 14.158 ( 1.251 -2.155 -0.050) 2.492 14.498 ( 0.188 4.297 -2.145) 4.806 14.603 ( 0.049 -5.211 -3.114) 6.071 ======================= Grid point 220 (118/168) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -2.382 0.000 8.762) 9.079 2.131 ( -4.627 0.000 23.112) 23.571 2.331 ( -0.457 0.000 2.680) 2.719 2.861 ( 0.409 0.000 -12.212) 12.219 3.271 ( 1.914 0.000 11.529) 11.687 3.392 ( 4.843 0.000 17.040) 17.715 3.512 ( -2.797 0.000 -3.165) 4.224 3.847 ( -0.824 0.000 -4.912) 4.980 3.955 ( 0.578 0.000 1.224) 1.354 4.049 ( -5.371 0.000 0.341) 5.382 4.345 ( 4.663 0.000 2.068) 5.101 4.909 ( -6.428 0.000 8.823) 10.917 5.531 ( 1.050 0.000 -2.830) 3.019 5.562 ( -5.645 0.000 2.051) 6.006 5.876 ( -1.300 0.000 -9.599) 9.687 6.640 ( 0.189 0.000 -3.140) 3.146 6.867 ( -0.748 0.000 2.162) 2.287 6.998 ( 5.388 0.000 8.919) 10.420 7.287 ( -2.298 0.000 -5.469) 5.932 7.432 ( -1.180 0.000 -5.201) 5.333 8.155 ( -0.349 0.000 2.210) 2.237 8.332 ( 1.309 0.000 1.682) 2.131 8.441 ( -0.187 0.000 2.806) 2.812 8.722 ( 0.360 0.000 3.833) 3.850 11.764 ( -0.107 0.000 1.030) 1.036 12.063 ( -0.228 0.000 -1.789) 1.804 12.575 ( -0.140 0.000 -1.070) 1.079 12.876 ( 1.155 0.000 1.217) 1.677 12.932 ( -0.298 0.000 0.542) 0.618 12.992 ( 1.315 0.000 1.021) 1.665 13.604 ( -0.035 0.000 -1.634) 1.634 13.942 ( 1.033 0.000 1.352) 1.702 14.158 ( -0.607 0.000 0.358) 0.705 14.235 ( 0.230 0.000 -1.226) 1.248 14.374 ( 0.013 0.000 -0.811) 0.811 14.668 ( 0.040 0.000 -2.517) 2.518 ======================= Grid point 221 (119/168) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.415 0.000 8.383) 8.393 2.174 ( -1.967 0.000 22.306) 22.393 2.337 ( -0.031 0.000 2.480) 2.480 2.816 ( 0.365 0.000 -9.856) 9.862 3.309 ( -2.101 0.000 6.747) 7.067 3.390 ( -8.098 0.000 -0.981) 8.157 3.481 ( -1.446 0.000 10.077) 10.180 3.800 ( -4.926 0.000 -4.463) 6.647 3.987 ( 1.798 0.000 1.066) 2.090 4.030 ( 6.324 0.000 0.963) 6.397 4.480 ( 7.529 0.000 1.674) 7.713 4.812 ( -8.350 0.000 11.451) 14.172 5.507 ( -2.191 0.000 7.708) 8.014 5.556 ( 2.807 0.000 -3.080) 4.167 5.844 ( 1.686 0.000 -6.862) 7.067 6.646 ( 1.732 0.000 -2.065) 2.696 6.838 ( -3.274 0.000 2.286) 3.993 7.168 ( 7.499 0.000 8.399) 11.260 7.245 ( 1.446 0.000 -7.504) 7.642 7.385 ( -1.678 0.000 -3.366) 3.760 8.170 ( 0.761 0.000 2.301) 2.423 8.314 ( -3.634 0.000 0.074) 3.634 8.463 ( 1.282 0.000 1.934) 2.320 8.734 ( -0.416 0.000 2.504) 2.538 11.764 ( -0.408 0.000 0.993) 1.074 12.060 ( 0.691 0.000 -1.313) 1.483 12.580 ( 1.012 0.000 -0.755) 1.263 12.882 ( -0.768 0.000 -0.087) 0.773 12.916 ( -1.242 0.000 0.276) 1.272 13.043 ( 3.222 0.000 0.150) 3.226 13.609 ( 1.223 0.000 -1.304) 1.788 13.963 ( 0.819 0.000 0.258) 0.859 14.149 ( -0.485 0.000 0.830) 0.961 14.226 ( -0.567 0.000 -1.158) 1.289 14.366 ( -0.502 0.000 -0.743) 0.897 14.662 ( 0.421 0.000 -1.992) 2.036 ======================= Grid point 222 (120/168) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.142 0.000 6.116) 6.876 2.219 ( -3.250 0.000 16.772) 17.084 2.352 ( 0.412 0.000 2.391) 2.426 2.805 ( 1.844 0.000 -3.451) 3.912 3.236 ( -7.004 0.000 -0.520) 7.023 3.241 ( -6.556 0.000 -0.989) 6.630 3.462 ( -3.582 0.000 1.227) 3.787 3.679 ( -3.855 0.000 0.162) 3.858 4.014 ( 0.158 0.000 1.304) 1.314 4.224 ( 11.830 0.000 -0.133) 11.830 4.620 ( 5.679 0.000 3.385) 6.611 4.703 ( -8.151 0.000 11.624) 14.197 5.535 ( -0.378 0.000 13.014) 13.019 5.603 ( 3.414 0.000 -3.137) 4.636 5.877 ( 3.988 0.000 -2.959) 4.966 6.694 ( 3.937 0.000 0.016) 3.937 6.771 ( -4.922 0.000 3.289) 5.919 7.227 ( 1.901 0.000 -4.872) 5.230 7.347 ( -0.786 0.000 -2.472) 2.594 7.384 ( 9.343 0.000 4.677) 10.448 8.196 ( 0.548 0.000 3.078) 3.126 8.201 ( -7.486 0.000 -2.110) 7.777 8.494 ( 0.768 0.000 1.037) 1.290 8.741 ( 1.031 0.000 -0.003) 1.031 11.758 ( -0.639 0.000 0.938) 1.135 12.077 ( 1.527 0.000 -0.850) 1.748 12.601 ( 1.387 0.000 -0.807) 1.604 12.852 ( -1.900 0.000 -1.071) 2.181 12.893 ( -1.134 0.000 -0.074) 1.137 13.106 ( 3.321 0.000 -0.075) 3.322 13.635 ( 1.908 0.000 -1.137) 2.220 13.973 ( 0.277 0.000 -0.658) 0.714 14.150 ( 0.254 0.000 0.889) 0.924 14.204 ( -1.340 0.000 -0.771) 1.546 14.350 ( -0.788 0.000 -0.769) 1.101 14.667 ( 0.869 0.000 -1.584) 1.807 ======================= Grid point 223 (121/168) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 4.988 0.000 2.166) 5.438 2.174 ( -7.347 0.000 8.871) 11.518 2.365 ( -0.388 0.000 2.788) 2.815 2.853 ( 2.358 0.000 4.717) 5.273 3.067 ( -9.466 0.000 -6.850) 11.684 3.146 ( -1.554 0.000 -1.746) 2.337 3.325 ( -7.632 0.000 -10.329) 12.843 3.723 ( 4.588 0.000 12.485) 13.301 3.992 ( -3.354 0.000 1.377) 3.626 4.445 ( 11.697 0.000 -1.401) 11.780 4.620 ( -4.927 0.000 8.857) 10.135 4.709 ( 1.896 0.000 3.441) 3.929 5.574 ( -2.230 0.000 14.131) 14.306 5.650 ( 2.735 0.000 -2.630) 3.794 5.967 ( 5.979 0.000 0.667) 6.016 6.687 ( -5.545 0.000 4.298) 7.016 6.791 ( 5.417 0.000 2.418) 5.932 7.254 ( 2.693 0.000 -3.000) 4.031 7.337 ( 0.764 0.000 -2.383) 2.502 7.561 ( 6.938 0.000 3.900) 7.959 8.030 ( -8.541 0.000 -4.369) 9.594 8.217 ( 0.117 0.000 4.332) 4.333 8.488 ( -1.583 0.000 0.222) 1.599 8.782 ( 3.614 0.000 -2.678) 4.498 11.750 ( -0.657 0.000 0.991) 1.189 12.107 ( 1.962 0.000 -0.624) 2.059 12.618 ( 0.701 0.000 -1.194) 1.385 12.810 ( -1.728 0.000 -1.283) 2.152 12.876 ( -0.469 0.000 -0.051) 0.472 13.162 ( 2.464 0.000 0.082) 2.466 13.666 ( 1.818 0.000 -1.229) 2.195 13.968 ( -0.438 0.000 -1.067) 1.154 14.165 ( 0.538 0.000 -0.731) 0.907 14.174 ( -1.119 0.000 1.174) 1.622 14.331 ( -0.713 0.000 -0.888) 1.138 14.680 ( 1.171 0.000 -1.385) 1.814 ======================= Grid point 224 (122/168) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -7.896 0.000 3.270) 8.546 2.266 ( 4.739 0.000 -1.664) 5.023 2.362 ( -0.977 0.000 3.200) 3.346 2.844 ( -10.161 0.000 -8.062) 12.970 2.909 ( 0.381 0.000 7.811) 7.820 3.125 ( -7.938 0.000 -11.041) 13.598 3.163 ( 3.580 0.000 -1.798) 4.006 3.898 ( -7.309 0.000 2.437) 7.704 3.911 ( 7.829 0.000 15.642) 17.492 4.606 ( 0.677 0.000 3.192) 3.263 4.643 ( 9.454 0.000 -1.334) 9.547 4.712 ( -2.893 0.000 2.169) 3.616 5.577 ( -2.855 0.000 11.733) 12.075 5.682 ( 1.581 0.000 -1.351) 2.079 6.092 ( 5.976 0.000 2.287) 6.399 6.604 ( -5.213 0.000 4.720) 7.033 6.901 ( 3.923 0.000 4.836) 6.227 7.290 ( 1.036 0.000 1.617) 1.920 7.353 ( 2.257 0.000 -3.301) 3.999 7.668 ( 2.852 0.000 1.772) 3.358 7.869 ( -5.359 0.000 -5.832) 7.920 8.243 ( 0.345 0.000 5.890) 5.900 8.450 ( -1.927 0.000 -0.560) 2.007 8.834 ( 3.002 0.000 -4.661) 5.544 11.743 ( -0.512 0.000 1.094) 1.208 12.141 ( 1.843 0.000 -0.685) 1.966 12.617 ( 0.022 0.000 -1.545) 1.545 12.780 ( -0.962 0.000 -0.889) 1.310 12.874 ( 0.116 0.000 0.129) 0.173 13.197 ( 1.156 0.000 0.403) 1.224 13.690 ( 1.319 0.000 -1.436) 1.950 13.948 ( -1.100 0.000 -0.840) 1.384 14.140 ( -1.346 0.000 -0.150) 1.354 14.196 ( 1.332 0.000 0.800) 1.554 14.317 ( -0.285 0.000 -1.078) 1.115 14.697 ( 1.202 0.000 -1.385) 1.834 ======================= Grid point 225 (123/168) ======================= q-point: (-0.55 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -1.685 0.000 -0.286) 1.709 2.294 ( -1.549 0.000 1.724) 2.318 2.393 ( 3.508 0.000 -2.365) 4.231 2.632 ( -8.422 0.000 -5.477) 10.046 2.936 ( -0.987 0.000 7.424) 7.490 2.951 ( -5.696 0.000 -7.872) 9.716 3.231 ( 3.471 0.000 -1.275) 3.698 3.762 ( -7.743 0.000 4.543) 8.978 4.126 ( 6.701 0.000 17.022) 18.293 4.614 ( -7.308 0.000 -0.331) 7.315 4.668 ( 5.446 0.000 -2.748) 6.100 4.782 ( 4.959 0.000 -0.457) 4.980 5.588 ( -0.051 0.000 7.923) 7.923 5.696 ( 0.067 0.000 0.042) 0.079 6.194 ( 3.491 0.000 1.876) 3.963 6.538 ( -3.761 0.000 5.192) 6.411 6.960 ( -0.621 0.000 6.741) 6.769 7.302 ( -1.212 0.000 6.059) 6.179 7.394 ( 4.063 0.000 -5.120) 6.536 7.676 ( -2.018 0.000 -2.487) 3.203 7.799 ( 0.312 0.000 -3.743) 3.756 8.275 ( -0.328 0.000 6.979) 6.987 8.427 ( 0.139 0.000 -0.571) 0.588 8.841 ( 0.086 0.000 -5.852) 5.852 11.740 ( -0.295 0.000 1.119) 1.157 12.167 ( 1.196 0.000 -0.955) 1.531 12.610 ( 0.100 0.000 -1.661) 1.664 12.764 ( -0.543 0.000 -0.340) 0.641 12.878 ( 0.078 0.000 0.213) 0.227 13.210 ( -0.095 0.000 0.754) 0.760 13.703 ( 0.741 0.000 -1.581) 1.746 13.922 ( -1.436 0.000 -0.101) 1.440 14.121 ( -0.764 0.000 0.379) 0.853 14.221 ( 0.987 0.000 0.285) 1.027 14.312 ( 0.311 0.000 -1.284) 1.322 14.712 ( 0.990 0.000 -1.567) 1.854 ======================= Grid point 226 (124/168) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 7.495 0.000 -2.418) 7.875 2.262 ( -2.397 0.000 2.015) 3.131 2.379 ( -5.416 0.000 0.740) 5.466 2.558 ( 3.866 0.000 -3.597) 5.280 2.852 ( -2.173 0.000 -3.408) 4.042 2.930 ( -3.501 0.000 7.717) 8.474 3.264 ( 1.190 0.000 -3.038) 3.262 3.681 ( -2.849 0.000 7.350) 7.883 4.283 ( 0.276 0.000 18.345) 18.347 4.453 ( -7.429 0.000 -3.079) 8.041 4.774 ( 7.591 0.000 -6.745) 10.155 4.819 ( -0.853 0.000 -0.759) 1.142 5.651 ( 3.543 0.000 4.862) 6.016 5.683 ( -1.560 0.000 0.784) 1.746 6.234 ( 0.187 0.000 0.416) 0.457 6.514 ( -1.164 0.000 5.831) 5.946 6.939 ( -4.299 0.000 6.448) 7.750 7.317 ( -0.985 0.000 11.091) 11.135 7.454 ( 4.473 0.000 -6.333) 7.753 7.583 ( -5.063 0.000 -6.477) 8.222 7.822 ( 2.598 0.000 -1.819) 3.171 8.280 ( -2.109 0.000 6.186) 6.536 8.453 ( 2.105 0.000 0.787) 2.248 8.790 ( -2.543 0.000 -5.742) 6.280 11.741 ( -0.070 0.000 1.021) 1.024 12.176 ( 0.265 0.000 -1.318) 1.345 12.609 ( 0.583 0.000 -1.623) 1.724 12.753 ( -0.608 0.000 0.121) 0.619 12.876 ( -0.326 0.000 0.202) 0.384 13.201 ( -1.225 0.000 1.131) 1.668 13.705 ( 0.175 0.000 -1.567) 1.577 13.897 ( -1.292 0.000 0.847) 1.545 14.115 ( -0.095 0.000 0.625) 0.632 14.234 ( 0.320 0.000 -0.194) 0.374 14.318 ( 0.835 0.000 -1.435) 1.660 14.720 ( 0.654 0.000 -1.928) 2.036 ======================= Grid point 227 (125/168) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 11.194 0.000 -2.468) 11.463 2.213 ( -3.491 0.000 -0.028) 3.491 2.298 ( -4.094 0.000 9.347) 10.205 2.669 ( 8.221 0.000 -1.957) 8.450 2.830 ( 0.124 0.000 1.246) 1.252 2.863 ( -6.567 0.000 7.589) 10.036 3.278 ( 2.814 0.000 -5.524) 6.200 3.715 ( 2.024 0.000 9.286) 9.504 4.203 ( -10.318 0.000 4.189) 11.136 4.407 ( -1.747 0.000 7.168) 7.377 4.753 ( -5.560 0.000 0.341) 5.570 4.883 ( 7.035 0.000 -7.844) 10.536 5.648 ( -2.361 0.000 0.554) 2.425 5.746 ( 3.921 0.000 3.227) 5.078 6.211 ( -1.983 0.000 -1.725) 2.628 6.550 ( 2.147 0.000 6.245) 6.603 6.869 ( -5.202 0.000 4.172) 6.668 7.304 ( -8.925 0.000 13.707) 16.357 7.492 ( 0.844 0.000 -6.142) 6.200 7.496 ( 3.015 0.000 -7.192) 7.799 7.871 ( 3.567 0.000 -1.793) 3.992 8.258 ( -2.743 0.000 5.295) 5.963 8.493 ( 1.155 0.000 1.631) 1.999 8.711 ( -2.984 0.000 -4.123) 5.089 11.746 ( 0.070 0.000 0.847) 0.850 12.166 ( -0.582 0.000 -1.671) 1.769 12.617 ( 0.862 0.000 -1.554) 1.777 12.744 ( -0.402 0.000 0.637) 0.753 12.868 ( -0.588 0.000 0.254) 0.640 13.172 ( -2.448 0.000 1.522) 2.883 13.696 ( -0.377 0.000 -1.463) 1.511 13.882 ( -0.815 0.000 1.704) 1.889 14.122 ( 0.527 0.000 0.562) 0.770 14.233 ( -0.098 0.000 -0.582) 0.590 14.330 ( 1.142 0.000 -1.469) 1.861 14.719 ( 0.315 0.000 -2.413) 2.434 ======================= Grid point 228 (126/168) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -4.586 0.000 4.524) 6.442 2.293 ( -1.210 0.000 8.331) 8.418 2.319 ( 0.724 0.000 4.527) 4.585 2.807 ( 0.409 0.000 0.802) 0.900 2.836 ( 9.118 0.000 1.089) 9.182 2.866 ( 1.953 0.000 7.767) 8.009 3.326 ( 5.204 0.000 -7.039) 8.754 3.816 ( 3.771 0.000 9.207) 9.949 4.044 ( -6.400 0.000 -0.869) 6.458 4.352 ( -6.721 0.000 3.718) 7.681 4.630 ( -8.541 0.000 5.751) 10.297 4.963 ( 4.387 0.000 -5.814) 7.284 5.605 ( -2.079 0.000 -0.500) 2.138 5.804 ( 0.686 0.000 1.771) 1.900 6.152 ( -2.828 0.000 -4.316) 5.160 6.643 ( 4.542 0.000 6.155) 7.649 6.787 ( -4.491 0.000 1.152) 4.637 7.133 ( -11.827 0.000 6.994) 13.740 7.506 ( 1.673 0.000 -8.223) 8.392 7.507 ( -0.671 0.000 2.093) 2.198 7.960 ( 6.897 0.000 -1.243) 7.008 8.227 ( -2.630 0.000 4.269) 5.014 8.501 ( -1.453 0.000 3.186) 3.501 8.658 ( -0.956 0.000 -2.059) 2.270 11.751 ( 0.086 0.000 0.718) 0.723 12.142 ( -1.078 0.000 -1.944) 2.223 12.624 ( 0.434 0.000 -1.594) 1.652 12.749 ( 0.631 0.000 1.353) 1.493 12.861 ( -0.111 0.000 0.526) 0.538 13.122 ( -3.580 0.000 1.865) 4.037 13.678 ( -0.860 0.000 -1.487) 1.718 13.881 ( -0.242 0.000 2.324) 2.337 14.138 ( 1.016 0.000 0.144) 1.026 14.228 ( -0.086 0.000 -0.740) 0.745 14.346 ( 1.193 0.000 -1.367) 1.814 14.711 ( 0.044 0.000 -2.866) 2.866 ======================= Grid point 229 (127/168) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -5.185 0.000 6.955) 8.675 2.260 ( -9.242 0.000 14.678) 17.346 2.311 ( -0.284 0.000 5.626) 5.633 2.863 ( 5.190 0.000 -8.451) 9.917 2.964 ( 4.224 0.000 14.383) 14.990 3.028 ( 8.365 0.000 6.287) 10.464 3.413 ( 7.007 0.000 -6.871) 9.814 3.913 ( 2.265 0.000 6.709) 7.081 3.963 ( -1.264 0.000 -4.592) 4.762 4.213 ( -7.392 0.000 -1.033) 7.463 4.485 ( -10.493 0.000 10.642) 14.945 4.994 ( 0.609 0.000 -1.421) 1.546 5.567 ( -1.410 0.000 -1.653) 2.173 5.780 ( -3.649 0.000 0.052) 3.649 6.068 ( -3.374 0.000 -7.186) 7.939 6.714 ( -3.042 0.000 -1.425) 3.360 6.760 ( 4.798 0.000 5.373) 7.204 6.964 ( -8.317 0.000 6.563) 10.595 7.463 ( -4.375 0.000 0.959) 4.479 7.494 ( 1.044 0.000 -8.621) 8.684 8.109 ( 8.272 0.000 0.972) 8.329 8.196 ( -2.462 0.000 3.300) 4.117 8.474 ( -2.676 0.000 4.031) 4.838 8.657 ( 0.952 0.000 0.799) 1.243 11.755 ( 0.073 0.000 0.759) 0.763 12.111 ( -1.175 0.000 -2.097) 2.403 12.615 ( -0.581 0.000 -1.662) 1.761 12.781 ( 1.945 0.000 1.996) 2.787 12.874 ( 1.158 0.000 0.805) 1.410 13.059 ( -3.857 0.000 2.052) 4.369 13.651 ( -1.170 0.000 -1.681) 2.047 13.893 ( 0.359 0.000 2.561) 2.586 14.157 ( 0.905 0.000 -0.384) 0.984 14.226 ( 0.238 0.000 -0.724) 0.762 14.362 ( 0.989 0.000 -1.172) 1.534 14.697 ( -0.118 0.000 -3.083) 3.085 ======================= Grid point 230 (128/168) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -4.533 0.000 8.087) 9.271 2.160 ( -8.460 0.000 20.319) 22.009 2.326 ( -0.288 0.000 3.432) 3.444 2.891 ( 2.365 0.000 -11.842) 12.076 3.134 ( 5.442 0.000 17.539) 18.364 3.207 ( 6.718 0.000 11.804) 13.582 3.507 ( 4.841 0.000 -5.629) 7.424 3.915 ( -2.328 0.000 -6.650) 7.046 3.951 ( -0.371 0.000 3.401) 3.421 4.116 ( -1.876 0.000 -1.921) 2.685 4.346 ( -7.523 0.000 9.374) 12.020 4.974 ( -3.283 0.000 4.033) 5.200 5.539 ( -0.513 0.000 -2.393) 2.447 5.679 ( -6.356 0.000 -0.484) 6.375 5.966 ( -3.306 0.000 -9.553) 10.109 6.664 ( -1.280 0.000 -2.928) 3.195 6.852 ( 2.042 0.000 2.390) 3.143 6.903 ( -0.755 0.000 9.285) 9.316 7.371 ( -4.471 0.000 -2.382) 5.066 7.470 ( 0.088 0.000 -7.394) 7.395 8.166 ( -1.848 0.000 2.616) 3.203 8.254 ( 5.801 0.000 2.131) 6.180 8.446 ( -1.786 0.000 3.545) 3.970 8.690 ( 1.228 0.000 3.327) 3.547 11.760 ( 0.052 0.000 0.925) 0.927 12.082 ( -0.893 0.000 -2.066) 2.250 12.592 ( -0.937 0.000 -1.475) 1.747 12.833 ( 2.330 0.000 2.037) 3.095 12.908 ( 1.918 0.000 0.663) 2.029 13.003 ( -2.669 0.000 1.917) 3.286 13.622 ( -0.982 0.000 -1.797) 2.048 13.915 ( 0.853 0.000 2.223) 2.381 14.165 ( 0.008 0.000 -0.276) 0.276 14.231 ( 0.577 0.000 -0.958) 1.118 14.372 ( 0.565 0.000 -0.964) 1.118 14.681 ( -0.136 0.000 -2.949) 2.952 ======================= Grid point 231 (129/168) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -1.903 3.100 7.941) 8.734 2.270 ( -4.095 5.356 13.832) 15.387 2.324 ( -0.269 3.269 8.253) 8.881 2.849 ( 0.073 -2.856 -3.706) 4.680 3.312 ( 3.700 3.833 10.254) 11.556 3.408 ( 3.667 1.391 11.366) 12.023 3.684 ( -4.426 13.925 -4.506) 15.291 3.846 ( -0.120 0.255 -1.861) 1.883 3.929 ( 1.477 0.680 -0.955) 1.886 4.058 ( -5.206 0.426 2.640) 5.853 4.251 ( 3.088 -5.684 2.132) 6.811 5.064 ( -4.833 10.255 8.158) 13.967 5.372 ( -0.418 -10.313 -4.662) 11.326 5.603 ( -4.885 0.768 4.044) 6.388 5.930 ( -0.853 4.505 -9.007) 10.107 6.559 ( -0.254 -7.323 -1.340) 7.449 6.888 ( -0.476 2.035 0.098) 2.092 7.053 ( 4.848 4.498 6.283) 9.122 7.255 ( -2.005 -2.631 -3.634) 4.914 7.424 ( -0.796 -0.937 -5.018) 5.166 8.061 ( 0.072 -5.265 1.113) 5.381 8.327 ( -2.034 -8.784 3.736) 9.760 8.446 ( 2.246 6.344 1.965) 7.011 8.705 ( 0.444 -1.403 3.351) 3.660 11.806 ( -0.134 3.667 0.785) 3.752 12.050 ( -0.219 -1.294 -1.570) 2.046 12.597 ( -0.040 2.121 -1.085) 2.383 12.874 ( 0.870 -0.481 0.852) 1.309 12.926 ( -0.594 -0.602 0.635) 1.058 12.948 ( 1.720 -3.481 0.837) 3.972 13.641 ( 0.041 3.296 -1.583) 3.657 13.920 ( 0.763 -2.118 0.850) 2.406 14.155 ( -0.391 -0.238 0.388) 0.600 14.212 ( 0.401 -1.811 -0.985) 2.100 14.398 ( 0.001 2.108 -0.845) 2.271 14.629 ( 0.036 -3.249 -2.214) 3.932 ======================= Grid point 232 (130/168) ======================= q-point: ( 0.09 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.197 2.853 7.414) 7.947 2.265 ( -2.207 1.812 10.191) 10.583 2.363 ( 0.103 6.055 9.877) 11.586 2.829 ( -0.460 -1.106 -2.649) 2.907 3.343 ( -4.669 2.316 4.607) 6.956 3.468 ( -0.757 1.111 9.932) 10.023 3.554 ( -5.227 11.877 -6.115) 14.345 3.856 ( -3.867 6.143 0.016) 7.259 3.956 ( 2.730 -1.804 -0.971) 3.413 4.045 ( 5.344 2.031 2.586) 6.274 4.351 ( 5.440 -7.363 2.889) 9.599 5.004 ( -5.553 12.362 9.851) 16.753 5.361 ( 0.946 -11.226 -2.265) 11.491 5.565 ( -1.481 0.191 6.556) 6.724 5.905 ( 1.622 4.573 -6.290) 7.944 6.562 ( 0.851 -7.685 -0.150) 7.734 6.865 ( -2.031 2.463 0.486) 3.229 7.184 ( 4.541 -2.451 -0.120) 5.162 7.228 ( 2.146 2.386 0.878) 3.327 7.398 ( 0.573 0.878 -3.847) 3.987 8.065 ( -0.284 -6.046 1.000) 6.135 8.290 ( -3.548 -6.928 3.542) 8.551 8.492 ( 2.000 4.684 0.383) 5.107 8.717 ( -0.335 -1.359 1.975) 2.421 11.805 ( -0.343 3.623 0.820) 3.730 12.047 ( 0.578 -1.293 -1.113) 1.801 12.603 ( 1.108 2.264 -0.858) 2.663 12.875 ( -0.813 -0.891 -0.138) 1.214 12.911 ( -0.968 -0.314 0.206) 1.038 12.998 ( 2.945 -3.680 0.072) 4.714 13.646 ( 1.111 3.269 -1.334) 3.701 13.936 ( 0.721 -2.547 0.025) 2.647 14.149 ( -0.402 -0.003 0.643) 0.759 14.208 ( -0.409 -1.493 -1.075) 1.885 14.390 ( -0.416 2.160 -0.737) 2.321 14.624 ( 0.368 -3.206 -1.749) 3.671 ======================= Grid point 233 (131/168) ======================= q-point: ( 0.18 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.602 1.949 5.536) 6.420 2.266 ( -1.980 0.444 7.117) 7.401 2.402 ( -0.308 6.377 7.263) 9.670 2.822 ( 0.239 -0.665 1.577) 1.728 3.215 ( -8.221 0.715 -1.657) 8.417 3.388 ( -6.573 0.323 -6.312) 9.119 3.549 ( 1.966 16.545 6.637) 17.935 3.736 ( -5.903 6.839 -0.991) 9.088 3.986 ( -0.394 -2.659 2.071) 3.393 4.226 ( 10.895 1.295 0.702) 10.994 4.463 ( 4.344 -6.720 4.528) 9.194 4.948 ( -4.613 13.854 9.293) 17.308 5.385 ( 1.545 -12.095 1.043) 12.238 5.595 ( 0.705 -1.118 8.383) 8.486 5.932 ( 3.309 4.153 -2.625) 5.924 6.587 ( 1.097 -8.527 1.902) 8.805 6.828 ( -1.662 3.873 1.112) 4.358 7.189 ( 0.799 -4.607 -4.713) 6.639 7.322 ( 2.578 1.927 1.600) 3.594 7.457 ( 7.188 3.492 0.284) 7.996 8.043 ( -3.037 -6.933 0.330) 7.577 8.233 ( -3.437 -4.268 3.459) 6.480 8.522 ( 0.859 3.327 -0.516) 3.474 8.719 ( 0.656 -1.650 -0.661) 1.894 11.801 ( -0.490 3.770 0.835) 3.893 12.061 ( 1.305 -1.504 -0.672) 2.102 12.625 ( 1.440 2.328 -0.896) 2.880 12.847 ( -1.774 -0.598 -0.930) 2.090 12.892 ( -0.915 0.070 -0.202) 0.940 13.056 ( 3.078 -4.338 -0.126) 5.321 13.668 ( 1.709 2.983 -1.228) 3.650 13.946 ( 0.400 -2.567 -0.640) 2.675 14.148 ( 0.080 -0.163 0.551) 0.580 14.188 ( -1.162 -1.209 -0.882) 1.895 14.377 ( -0.622 2.379 -0.728) 2.564 14.628 ( 0.751 -3.292 -1.401) 3.656 ======================= Grid point 234 (132/168) ======================= q-point: ( 0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 4.238 0.908 2.539) 5.023 2.241 ( -3.474 2.929 4.713) 6.546 2.408 ( -1.547 5.452 3.484) 6.652 2.852 ( 0.976 -1.293 5.282) 5.525 3.036 ( -8.760 -0.042 -6.122) 10.687 3.226 ( -6.438 -2.064 -10.841) 12.777 3.549 ( -2.744 24.586 -3.229) 24.948 3.740 ( 3.981 2.567 13.060) 13.893 3.958 ( -3.865 -3.068 3.771) 6.211 4.426 ( 9.655 0.280 0.437) 9.669 4.552 ( 3.633 -3.478 3.011) 5.862 4.910 ( -3.224 13.443 6.701) 15.363 5.416 ( 0.458 -12.342 3.902) 12.952 5.639 ( -0.147 -2.639 7.074) 7.552 6.007 ( 4.893 3.326 0.818) 5.973 6.595 ( -1.951 -7.802 3.499) 8.770 6.838 ( 2.282 3.583 2.295) 4.828 7.195 ( 1.555 -5.255 -3.048) 6.271 7.360 ( 1.663 3.058 0.358) 3.499 7.608 ( 7.022 2.783 1.121) 7.637 7.948 ( -6.113 -4.884 -1.035) 7.893 8.212 ( -0.612 -2.867 4.305) 5.209 8.510 ( -1.695 2.514 -0.950) 3.177 8.744 ( 2.747 -2.986 -3.394) 5.290 11.795 ( -0.478 4.037 0.914) 4.167 12.088 ( 1.680 -1.869 -0.450) 2.553 12.642 ( 0.734 2.320 -1.162) 2.697 12.808 ( -1.723 -0.341 -1.190) 2.121 12.880 ( -0.275 0.382 -0.189) 0.507 13.108 ( 2.357 -4.707 0.039) 5.264 13.695 ( 1.661 2.648 -1.314) 3.391 13.945 ( -0.077 -2.170 -0.906) 2.353 14.152 ( -0.325 -0.932 -1.217) 1.567 14.164 ( -0.491 -0.755 1.010) 1.353 14.362 ( -0.503 2.701 -0.825) 2.869 14.640 ( 1.012 -3.489 -1.252) 3.843 ======================= Grid point 235 (133/168) ======================= q-point: ( 0.36 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -4.081 9.045 2.226) 10.169 2.267 ( 4.643 0.245 -1.507) 4.888 2.381 ( -2.454 2.950 2.949) 4.839 2.801 ( -8.992 -2.359 -6.148) 11.146 2.921 ( -0.644 0.055 3.858) 3.912 3.061 ( -5.170 -3.774 -11.025) 12.748 3.507 ( 0.211 24.173 -2.529) 24.306 3.854 ( -4.887 -1.571 5.110) 7.243 3.932 ( 4.508 2.134 15.846) 16.613 4.578 ( 5.476 1.026 2.376) 6.057 4.636 ( 4.657 -2.285 -1.389) 5.370 4.878 ( -2.282 12.630 3.150) 13.215 5.437 ( -0.260 -11.697 5.657) 12.995 5.649 ( -1.101 -4.179 4.027) 5.907 6.112 ( 5.007 2.007 2.482) 5.938 6.553 ( -3.712 -5.040 3.930) 7.391 6.914 ( 3.242 1.468 4.319) 5.596 7.217 ( 1.865 -5.667 -2.060) 6.312 7.389 ( 0.593 3.156 2.453) 4.041 7.700 ( 2.103 0.243 -1.913) 2.854 7.847 ( -2.832 0.778 -0.378) 2.961 8.241 ( 1.365 -1.702 5.113) 5.559 8.461 ( -2.618 1.753 -1.364) 3.433 8.777 ( 2.221 -4.756 -5.198) 7.387 11.791 ( -0.357 4.303 1.002) 4.433 12.117 ( 1.577 -2.269 -0.488) 2.806 12.643 ( 0.037 2.331 -1.380) 2.709 12.777 ( -1.031 -0.339 -0.899) 1.410 12.879 ( 0.143 0.553 -0.046) 0.573 13.142 ( 1.152 -4.829 0.370) 4.978 13.717 ( 1.258 2.435 -1.461) 3.106 13.935 ( -0.570 -1.434 -0.711) 1.699 14.126 ( -1.240 -0.930 -0.722) 1.710 14.178 ( 0.852 -1.385 0.696) 1.769 14.352 ( -0.102 3.012 -1.010) 3.178 14.654 ( 1.058 -3.717 -1.290) 4.075 ======================= Grid point 236 (134/168) ======================= q-point: (-0.55 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -0.813 13.719 -0.725) 13.762 2.309 ( -0.896 1.246 0.695) 1.685 2.375 ( 2.072 -1.126 -0.406) 2.393 2.596 ( -8.537 -2.040 -5.793) 10.517 2.864 ( -4.907 -3.820 -3.665) 7.218 3.000 ( 0.273 0.131 0.354) 0.466 3.523 ( 1.549 22.789 -1.334) 22.881 3.744 ( -6.784 -0.613 5.286) 8.622 4.117 ( 5.437 0.983 17.235) 18.099 4.628 ( -2.111 2.345 -2.195) 3.844 4.703 ( 3.546 -0.405 1.050) 3.720 4.878 ( 2.053 10.205 -0.781) 10.439 5.464 ( 0.918 -10.980 4.599) 11.939 5.642 ( -0.859 -5.356 2.593) 6.012 6.201 ( 2.964 0.937 2.163) 3.787 6.504 ( -3.083 -3.402 4.410) 6.366 6.969 ( -0.214 0.971 5.929) 6.012 7.246 ( 2.212 -5.200 -1.805) 5.933 7.405 ( -0.231 1.940 4.159) 4.595 7.673 ( -2.517 -2.295 -3.912) 5.187 7.846 ( 1.434 5.916 0.362) 6.098 8.299 ( 1.864 0.575 5.621) 5.950 8.412 ( -1.593 -0.262 -1.212) 2.019 8.772 ( -0.217 -5.930 -6.236) 8.608 11.790 ( -0.193 4.487 1.000) 4.601 12.140 ( 1.031 -2.559 -0.725) 2.853 12.637 ( 0.046 2.331 -1.432) 2.736 12.760 ( -0.566 -0.423 -0.395) 0.810 12.881 ( -0.031 0.467 0.058) 0.471 13.155 ( -0.057 -4.807 0.727) 4.862 13.730 ( 0.749 2.375 -1.562) 2.940 13.919 ( -0.923 -0.580 -0.159) 1.102 14.105 ( -0.755 -1.002 -0.162) 1.265 14.195 ( 0.658 -2.021 0.285) 2.145 14.350 ( 0.378 3.188 -1.230) 3.438 14.667 ( 0.905 -3.883 -1.489) 4.256 ======================= Grid point 237 (135/168) ======================= q-point: (-0.45 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 3.186 11.485 -1.099) 11.969 2.289 ( -0.637 2.435 1.021) 2.717 2.364 ( -5.235 -1.148 0.996) 5.451 2.508 ( 3.231 -3.247 -2.816) 5.377 2.773 ( -3.316 -4.069 -1.311) 5.410 3.001 ( -1.243 0.257 2.098) 2.452 3.524 ( -0.823 20.779 -1.278) 20.835 3.692 ( -1.120 3.102 6.906) 7.654 4.265 ( 2.037 -0.791 16.765) 16.906 4.512 ( -7.397 5.596 -3.658) 9.971 4.754 ( 0.742 -1.829 -1.130) 2.274 4.934 ( 4.697 9.827 -2.906) 11.273 5.502 ( 0.894 -11.855 1.821) 12.027 5.655 ( 1.506 -4.476 3.147) 5.675 6.236 ( 0.116 0.572 0.789) 0.982 6.482 ( -1.264 -3.089 4.975) 5.991 6.959 ( -3.126 1.934 5.426) 6.554 7.291 ( 2.868 -3.994 0.558) 4.949 7.414 ( -1.509 -0.730 4.470) 4.774 7.589 ( -3.855 -1.012 -4.565) 6.060 7.879 ( 1.756 5.930 -0.039) 6.184 8.327 ( -1.339 3.895 3.105) 5.158 8.414 ( 1.720 -3.717 1.880) 4.507 8.719 ( -2.170 -6.023 -6.250) 8.946 11.792 ( -0.031 4.552 0.875) 4.635 12.148 ( 0.246 -2.624 -1.067) 2.844 12.635 ( 0.477 2.270 -1.360) 2.689 12.749 ( -0.547 -0.410 0.064) 0.687 12.877 ( -0.418 0.288 0.169) 0.535 13.147 ( -1.177 -4.742 1.075) 5.003 13.732 ( 0.202 2.391 -1.588) 2.877 13.901 ( -0.981 0.055 0.557) 1.130 14.097 ( -0.104 -1.202 0.213) 1.226 14.204 ( 0.188 -2.373 -0.086) 2.382 14.355 ( 0.757 3.187 -1.414) 3.568 14.674 ( 0.638 -3.930 -1.829) 4.381 ======================= Grid point 238 (136/168) ======================= q-point: (-0.36 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -0.709 1.716 1.485) 2.378 2.261 ( -3.561 0.874 4.515) 5.816 2.345 ( 4.489 5.886 1.118) 7.487 2.621 ( 8.273 -3.620 0.321) 9.036 2.719 ( -3.018 -4.145 3.277) 6.085 2.974 ( -2.128 -0.160 1.792) 2.786 3.514 ( 1.185 20.307 -2.495) 20.494 3.740 ( 2.093 4.994 8.202) 9.828 4.309 ( -6.797 5.987 10.562) 13.914 4.366 ( -3.453 -0.054 -1.723) 3.859 4.708 ( -4.711 -2.743 -1.572) 5.674 5.023 ( 5.534 10.479 -3.235) 12.284 5.501 ( -1.067 -12.096 -0.256) 12.146 5.725 ( 3.534 -3.501 3.384) 6.017 6.217 ( -1.826 0.841 -1.184) 2.334 6.503 ( 1.118 -4.190 5.129) 6.716 6.911 ( -3.577 3.742 3.144) 6.057 7.327 ( -8.544 2.061 12.077) 14.937 7.366 ( 3.004 -7.539 -6.828) 10.606 7.533 ( -0.111 -0.538 -2.801) 2.855 7.909 ( 1.650 4.141 -0.335) 4.470 8.301 ( -2.099 2.854 1.682) 3.922 8.454 ( 0.578 -3.261 3.779) 5.025 8.653 ( -1.729 -4.736 -5.002) 7.102 11.796 ( 0.054 4.494 0.670) 4.544 12.140 ( -0.481 -2.454 -1.422) 2.877 12.642 ( 0.702 2.169 -1.289) 2.619 12.742 ( -0.186 -0.209 0.586) 0.649 12.867 ( -0.695 0.130 0.355) 0.792 13.119 ( -2.310 -4.618 1.395) 5.349 13.723 ( -0.341 2.424 -1.565) 2.905 13.888 ( -0.748 0.248 1.220) 1.453 14.103 ( 0.572 -1.370 0.330) 1.521 14.203 ( -0.141 -2.485 -0.374) 2.517 14.366 ( 0.979 3.038 -1.491) 3.522 14.675 ( 0.338 -3.860 -2.251) 4.481 ======================= Grid point 239 (137/168) ======================= q-point: (-0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -4.284 0.652 4.458) 6.217 2.254 ( -0.936 -1.548 7.789) 7.996 2.419 ( -0.032 5.976 3.675) 7.015 2.715 ( 2.157 -3.806 5.761) 7.234 2.809 ( 9.690 -2.424 3.988) 10.755 2.954 ( -0.077 -0.847 1.082) 1.376 3.551 ( 3.985 21.385 -3.560) 22.042 3.829 ( 3.337 3.544 7.699) 9.109 4.163 ( -7.155 8.341 -3.661) 11.583 4.315 ( -5.593 -2.335 5.587) 8.243 4.581 ( -8.214 -3.027 1.555) 8.891 5.098 ( 3.126 10.103 -1.232) 10.647 5.473 ( -1.079 -11.102 -2.366) 11.402 5.787 ( 0.992 -2.726 2.910) 4.109 6.165 ( -2.464 1.562 -3.674) 4.691 6.559 ( 2.145 -6.521 4.115) 8.003 6.862 ( -2.205 5.646 0.841) 6.120 7.162 ( -10.314 2.544 5.405) 11.919 7.404 ( 1.393 -6.114 -2.739) 6.843 7.525 ( -0.833 -1.440 -0.025) 1.664 7.951 ( 3.172 0.695 -0.101) 3.248 8.273 ( -1.142 1.660 1.035) 2.265 8.458 ( -2.169 -2.723 5.155) 6.220 8.623 ( 0.427 -2.636 -2.780) 3.855 11.800 ( 0.032 4.341 0.505) 4.370 12.120 ( -0.925 -2.140 -1.709) 2.890 12.646 ( 0.211 2.000 -1.334) 2.414 12.752 ( 0.993 0.210 1.209) 1.578 12.858 ( -0.359 -0.155 0.695) 0.797 13.073 ( -3.291 -4.318 1.636) 5.670 13.706 ( -0.777 2.507 -1.580) 3.064 13.884 ( -0.370 0.005 1.673) 1.714 14.121 ( 1.153 -1.370 0.144) 1.796 14.198 ( -0.117 -2.465 -0.482) 2.514 14.378 ( 1.005 2.780 -1.425) 3.281 14.668 ( 0.070 -3.717 -2.617) 4.547 ======================= Grid point 240 (138/168) ======================= q-point: (-0.18 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -4.560 1.378 6.685) 8.208 2.276 ( -0.239 -1.856 6.472) 6.737 2.376 ( -6.496 6.714 11.236) 14.613 2.818 ( 4.414 -3.703 0.758) 5.811 2.966 ( 4.032 -1.184 11.639) 12.374 3.048 ( 9.680 -0.305 2.391) 9.976 3.627 ( 5.471 21.283 -3.639) 22.274 3.918 ( 2.851 1.824 4.349) 5.511 4.027 ( -5.169 4.067 -5.428) 8.528 4.203 ( -6.801 -0.467 0.642) 6.847 4.423 ( -10.068 -3.802 6.526) 12.586 5.126 ( -0.269 9.103 2.023) 9.329 5.442 ( -0.745 -9.843 -4.176) 10.718 5.777 ( -3.201 -1.451 2.192) 4.142 6.093 ( -2.748 2.600 -6.590) 7.599 6.596 ( 0.120 -8.068 1.025) 8.133 6.850 ( 0.720 5.643 0.776) 5.741 7.020 ( -6.578 4.844 5.356) 9.768 7.387 ( -1.923 -5.437 -2.551) 6.306 7.496 ( -1.337 -1.495 -2.520) 3.221 8.017 ( 2.807 -3.599 1.206) 4.721 8.279 ( 1.490 0.113 0.896) 1.742 8.429 ( -3.019 -0.785 5.545) 6.362 8.638 ( 1.448 -1.554 0.410) 2.164 11.802 ( -0.006 4.120 0.505) 4.151 12.093 ( -1.026 -1.791 -1.868) 2.784 12.635 ( -0.681 1.910 -1.428) 2.480 12.789 ( 2.077 0.481 1.646) 2.693 12.866 ( 0.862 -0.639 1.025) 1.484 13.014 ( -3.492 -3.823 1.716) 5.454 13.682 ( -0.996 2.720 -1.678) 3.348 13.889 ( 0.073 -0.589 1.810) 1.904 14.144 ( 1.140 -1.105 -0.188) 1.599 14.197 ( 0.244 -2.380 -0.444) 2.433 14.390 ( 0.822 2.480 -1.247) 2.895 14.655 ( -0.103 -3.548 -2.765) 4.499 ======================= Grid point 241 (139/168) ======================= q-point: (-0.09 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -3.544 2.496 7.659) 8.801 2.298 ( 0.022 -1.993 4.183) 4.634 2.307 ( -6.640 9.351 16.633) 20.203 2.854 ( 0.890 -4.464 -2.478) 5.183 3.145 ( 7.499 1.285 13.843) 15.796 3.245 ( 8.109 1.661 7.869) 11.421 3.706 ( 3.752 19.852 -4.052) 20.606 3.915 ( -4.142 0.143 -5.452) 6.848 3.945 ( -1.863 -0.420 1.336) 2.330 4.113 ( -1.856 -0.174 -0.536) 1.940 4.275 ( -7.841 -4.340 7.113) 11.442 5.110 ( -2.951 8.949 5.247) 10.785 5.407 ( -0.822 -9.545 -4.880) 10.751 5.697 ( -5.804 -0.021 2.279) 6.236 6.006 ( -2.619 3.730 -8.995) 10.084 6.580 ( -1.121 -7.382 -1.285) 7.577 6.880 ( 1.347 2.865 0.357) 3.186 6.977 ( -0.427 6.118 6.522) 8.952 7.321 ( -3.373 -4.090 -2.430) 5.832 7.461 ( -0.624 -1.488 -5.253) 5.495 8.052 ( 0.506 -5.141 1.393) 5.350 8.324 ( 1.520 -6.333 2.061) 6.831 8.409 ( -0.728 4.907 4.508) 6.704 8.673 ( 1.327 -1.362 2.865) 3.438 11.804 ( -0.027 3.867 0.650) 3.921 12.067 ( -0.790 -1.484 -1.839) 2.492 12.612 ( -0.904 1.974 -1.355) 2.559 12.838 ( 2.150 0.217 1.587) 2.682 12.897 ( 1.884 -1.092 0.908) 2.359 12.963 ( -2.534 -3.258 1.546) 4.407 13.656 ( -0.787 3.045 -1.728) 3.589 13.902 ( 0.506 -1.385 1.524) 2.120 14.157 ( 0.232 -0.653 -0.068) 0.696 14.204 ( 0.729 -2.168 -0.664) 2.381 14.397 ( 0.460 2.229 -1.029) 2.498 14.641 ( -0.125 -3.381 -2.611) 4.274 ======================= Grid point 242 (140/168) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -1.393 5.119 5.948) 7.970 2.221 ( -1.213 -4.505 4.265) 6.321 2.523 ( -1.352 9.637 11.969) 15.426 2.720 ( -0.424 -8.209 6.075) 10.222 3.393 ( 5.318 2.906 9.264) 11.070 3.427 ( 4.250 -0.181 8.237) 9.271 3.796 ( -4.769 0.295 -4.600) 6.633 3.817 ( -2.214 -1.961 -1.458) 3.298 4.070 ( -3.412 1.012 3.994) 5.350 4.104 ( 0.226 -1.030 3.622) 3.773 4.389 ( 2.002 26.971 -4.282) 27.383 4.947 ( 0.370 -20.812 -3.773) 21.154 5.394 ( -4.283 10.258 5.730) 12.506 5.568 ( -4.889 -4.741 6.624) 9.500 6.079 ( -0.926 9.722 -6.727) 11.859 6.335 ( -0.766 -12.498 -2.173) 12.709 6.968 ( -0.522 5.287 -1.980) 5.670 7.087 ( 0.285 -4.000 -2.883) 4.939 7.258 ( 1.516 5.065 2.438) 5.822 7.374 ( 0.760 -4.087 -1.956) 4.594 7.999 ( -0.630 0.588 0.990) 1.312 8.108 ( -1.375 -9.073 2.743) 9.578 8.576 ( 1.125 5.083 2.684) 5.857 8.661 ( 0.670 -2.816 2.911) 4.105 11.906 ( -0.173 4.988 0.072) 4.991 12.000 ( -0.199 -3.379 -0.878) 3.497 12.673 ( 0.176 4.966 -0.886) 5.047 12.800 ( 0.355 -6.046 -0.235) 6.061 12.905 ( 0.710 0.127 0.957) 1.198 12.916 ( 0.586 -0.653 0.612) 1.070 13.736 ( 0.158 5.148 -1.292) 5.310 13.846 ( 0.324 -4.555 -0.389) 4.583 14.154 ( 0.136 0.279 0.300) 0.432 14.172 ( 0.538 -1.512 -0.253) 1.624 14.460 ( -0.018 3.525 -1.052) 3.679 14.545 ( 0.001 -4.154 -1.562) 4.438 ======================= Grid point 243 (141/168) ======================= q-point: ( 0.09 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -0.252 4.637 5.451) 7.161 2.218 ( -0.866 -3.994 4.158) 5.830 2.553 ( -0.541 9.101 9.280) 13.009 2.733 ( -0.637 -7.047 4.663) 8.474 3.396 ( -6.286 2.541 3.109) 7.459 3.449 ( -4.833 -2.067 5.028) 7.274 3.756 ( 1.503 5.569 -1.875) 6.065 3.858 ( 3.578 -4.094 1.126) 5.553 4.049 ( 0.194 4.453 3.160) 5.463 4.143 ( 2.593 -2.719 4.993) 6.249 4.422 ( 3.529 23.783 -4.280) 24.421 4.950 ( 1.546 -20.042 -2.768) 20.292 5.341 ( -4.258 10.679 7.316) 13.627 5.523 ( -3.313 -5.020 9.140) 10.941 6.053 ( 0.775 10.015 -4.198) 10.887 6.324 ( 0.248 -13.332 -0.420) 13.341 6.947 ( -0.936 5.114 -0.889) 5.274 7.075 ( -0.265 -6.138 -2.443) 6.612 7.327 ( 4.454 4.952 1.290) 6.784 7.400 ( 3.335 -1.318 -2.395) 4.312 7.987 ( -1.395 0.020 1.581) 2.109 8.090 ( -1.961 -8.838 3.397) 9.670 8.602 ( 0.739 4.515 0.875) 4.658 8.677 ( 0.036 -2.478 1.357) 2.826 11.904 ( -0.094 4.955 0.270) 4.963 11.998 ( 0.279 -3.356 -0.514) 3.407 12.683 ( 1.223 5.136 -0.891) 5.354 12.809 ( 0.587 -5.501 -0.545) 5.559 12.910 ( -0.292 0.357 0.110) 0.474 12.930 ( 0.800 -1.727 0.100) 1.906 13.741 ( 0.857 5.162 -1.215) 5.372 13.854 ( 0.656 -4.858 -0.656) 4.946 14.153 ( -0.214 0.529 0.116) 0.582 14.174 ( -0.166 -1.380 -0.593) 1.511 14.454 ( -0.179 3.597 -0.842) 3.699 14.540 ( 0.145 -4.189 -1.224) 4.367 ======================= Grid point 244 (142/168) ======================= q-point: ( 0.18 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 1.378 3.443 4.276) 5.660 2.227 ( -0.065 -3.098 3.590) 4.742 2.580 ( -0.082 8.607 5.616) 10.278 2.745 ( 0.150 -6.053 3.923) 7.215 3.252 ( -8.449 2.627 -2.766) 9.270 3.325 ( -7.778 -3.828 -3.716) 9.432 3.776 ( -0.730 5.768 5.509) 8.009 3.891 ( -1.084 -4.637 4.543) 6.582 4.092 ( 2.621 13.147 1.705) 13.514 4.262 ( 7.321 -3.939 3.398) 8.981 4.491 ( 5.412 18.601 -2.637) 19.551 4.981 ( 2.427 -19.382 -0.603) 19.542 5.297 ( -3.896 11.568 7.435) 14.293 5.516 ( -2.293 -7.003 10.172) 12.561 6.072 ( 2.220 9.617 -0.658) 9.892 6.339 ( 0.963 -13.499 1.495) 13.616 6.930 ( -0.607 5.491 0.390) 5.538 7.061 ( -0.196 -6.396 -1.083) 6.490 7.409 ( 3.879 5.001 -1.206) 6.443 7.491 ( 6.607 -1.311 -1.398) 6.879 7.958 ( -2.519 0.564 2.613) 3.673 8.070 ( -1.605 -8.352 4.443) 9.596 8.610 ( 0.007 3.897 -1.212) 4.081 8.677 ( 0.037 -2.367 -1.217) 2.662 11.905 ( 0.002 5.275 0.442) 5.293 12.006 ( 0.719 -3.696 -0.174) 3.769 12.705 ( 1.233 4.867 -0.947) 5.109 12.808 ( -0.492 -3.562 -0.843) 3.693 12.902 ( -0.308 1.012 -0.331) 1.109 12.952 ( 1.611 -4.031 -0.233) 4.347 13.756 ( 1.244 4.845 -1.247) 5.155 13.864 ( 0.742 -4.735 -0.916) 4.879 14.148 ( -0.287 0.288 -0.161) 0.437 14.162 ( -0.713 -1.010 -0.730) 1.435 14.447 ( -0.191 3.934 -0.748) 4.009 14.540 ( 0.356 -4.468 -1.007) 4.594 ======================= Grid point 245 (143/168) ======================= q-point: ( 0.27 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 2.803 1.915 2.574) 4.261 2.247 ( 0.789 -1.390 2.832) 3.252 2.593 ( -0.629 9.684 2.124) 9.934 2.772 ( 0.798 -6.184 2.674) 6.784 3.063 ( -8.785 2.421 -7.116) 11.561 3.140 ( -8.292 -4.452 -9.517) 13.385 3.782 ( -1.756 3.803 8.537) 9.510 3.872 ( -3.447 -4.368 7.474) 9.318 4.161 ( 3.596 21.178 3.595) 21.780 4.415 ( 7.234 -5.792 1.749) 9.430 4.595 ( 6.055 14.307 -0.924) 15.563 5.031 ( 2.596 -18.281 1.169) 18.502 5.252 ( -4.055 12.226 5.951) 14.189 5.511 ( -2.770 -9.380 8.401) 12.893 6.127 ( 3.140 8.434 2.004) 9.220 6.366 ( 0.748 -12.356 2.581) 12.645 6.935 ( 0.826 5.303 1.770) 5.651 7.063 ( 0.630 -6.285 0.156) 6.319 7.464 ( 2.296 6.111 -0.729) 6.568 7.595 ( 4.204 -4.683 -2.017) 6.609 7.930 ( -1.157 4.323 3.895) 5.932 8.080 ( 0.638 -7.945 5.082) 9.453 8.588 ( -1.383 4.043 -2.759) 5.086 8.671 ( 0.444 -3.603 -3.756) 5.223 11.908 ( 0.095 5.807 0.575) 5.836 12.022 ( 0.949 -4.282 0.014) 4.386 12.715 ( 0.279 4.033 -1.022) 4.170 12.786 ( -1.195 -1.988 -1.015) 2.532 12.901 ( 0.399 1.986 -0.361) 2.057 12.985 ( 1.793 -5.643 -0.166) 5.923 13.774 ( 1.230 4.396 -1.337) 4.756 13.873 ( 0.617 -4.312 -1.037) 4.478 14.139 ( -0.649 -0.102 -0.985) 1.184 14.147 ( -0.391 -0.701 0.005) 0.803 14.441 ( -0.030 4.403 -0.802) 4.476 14.545 ( 0.554 -4.889 -0.971) 5.015 ======================= Grid point 246 (144/168) ======================= q-point: ( 0.36 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 2.570 1.001 1.310) 3.053 2.283 ( 2.277 0.269 1.269) 2.620 2.560 ( -3.522 11.199 -0.682) 11.760 2.740 ( -5.951 -4.490 -4.265) 8.589 2.910 ( -3.897 -0.141 -3.141) 5.007 2.960 ( -4.621 -4.660 -9.592) 11.622 3.786 ( -1.374 2.732 6.652) 7.321 3.833 ( -4.038 -1.729 8.504) 9.572 4.259 ( 3.932 22.235 7.723) 23.865 4.542 ( 5.232 -6.377 1.829) 8.449 4.700 ( 5.042 11.545 -0.533) 12.609 5.085 ( 2.420 -17.812 1.670) 18.053 5.196 ( -3.855 13.201 3.731) 14.250 5.484 ( -3.043 -11.030 5.204) 12.569 6.198 ( 2.998 6.444 2.891) 7.673 6.385 ( -0.102 -9.608 2.849) 10.022 6.973 ( 1.722 4.009 3.019) 5.306 7.084 ( 1.267 -6.006 0.572) 6.164 7.486 ( -0.126 5.616 1.668) 5.859 7.618 ( -0.505 -5.990 -1.511) 6.198 7.963 ( 2.426 7.947 3.699) 9.096 8.137 ( 2.888 -7.274 4.930) 9.249 8.537 ( -2.318 4.858 -3.689) 6.526 8.656 ( -0.123 -5.846 -5.388) 7.951 11.913 ( 0.136 6.340 0.625) 6.372 12.040 ( 0.897 -4.904 0.018) 4.986 12.709 ( -0.315 3.263 -0.990) 3.424 12.761 ( -0.966 -1.348 -0.879) 1.877 12.910 ( 0.496 2.781 -0.232) 2.834 13.012 ( 1.056 -6.262 0.092) 6.351 13.789 ( 0.984 4.010 -1.380) 4.354 13.878 ( 0.387 -3.747 -0.963) 3.888 14.120 ( -0.822 0.535 -0.793) 1.261 14.145 ( -0.003 -1.539 0.051) 1.540 14.439 ( 0.239 4.824 -0.985) 4.929 14.552 ( 0.679 -5.296 -1.097) 5.451 ======================= Grid point 247 (145/168) ======================= q-point: (-0.55 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 1.573 1.443 0.906) 2.319 2.335 ( 2.334 -0.601 -0.240) 2.422 2.464 ( -5.098 9.985 -1.971) 11.383 2.567 ( -7.523 -1.136 -6.638) 10.097 2.809 ( -3.935 0.586 -4.204) 5.788 2.921 ( -0.166 -6.857 -1.037) 6.937 3.772 ( -2.887 3.164 6.838) 8.069 3.826 ( 0.328 0.972 5.170) 5.271 4.362 ( 2.433 19.846 10.312) 22.497 4.620 ( 1.934 -4.916 2.047) 5.665 4.768 ( 2.189 9.779 -1.456) 10.126 5.129 ( 1.117 -18.318 1.563) 18.418 5.162 ( -0.076 13.726 1.066) 13.768 5.456 ( -1.176 -11.676 2.926) 12.095 6.256 ( 1.613 4.509 2.494) 5.399 6.388 ( -0.813 -6.790 2.943) 7.445 7.012 ( 0.657 3.272 3.535) 4.862 7.114 ( 1.981 -5.972 -0.346) 6.302 7.479 ( -1.926 4.529 4.344) 6.564 7.586 ( -2.338 -4.961 0.164) 5.487 8.028 ( 2.493 9.646 2.647) 10.309 8.221 ( 3.366 -7.211 4.470) 9.128 8.475 ( -2.329 5.388 -3.722) 6.951 8.618 ( -1.179 -7.430 -6.200) 9.749 11.918 ( 0.122 6.705 0.559) 6.729 12.054 ( 0.604 -5.349 -0.136) 5.384 12.699 ( -0.258 2.878 -0.871) 3.018 12.743 ( -0.566 -1.217 -0.534) 1.445 12.914 ( -0.024 3.145 -0.038) 3.145 13.024 ( 0.056 -6.433 0.400) 6.445 13.799 ( 0.612 3.763 -1.373) 4.052 13.879 ( 0.095 -3.168 -0.754) 3.258 14.103 ( -0.632 1.120 -0.392) 1.344 14.145 ( -0.019 -2.396 0.060) 2.397 14.442 ( 0.505 5.068 -1.234) 5.241 14.560 ( 0.705 -5.557 -1.333) 5.758 ======================= Grid point 248 (146/168) ======================= q-point: (-0.45 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -3.626 1.869 2.289) 4.678 2.336 ( -3.627 -1.182 1.612) 4.142 2.408 ( 1.515 6.303 -2.490) 6.944 2.469 ( 1.210 -0.518 -3.380) 3.627 2.739 ( -2.549 3.265 -0.677) 4.197 2.901 ( -1.896 -8.304 0.636) 8.541 3.765 ( -0.565 6.765 6.226) 9.211 3.870 ( 2.070 0.580 3.376) 4.003 4.428 ( -0.239 16.104 9.768) 18.836 4.624 ( -2.066 -0.474 -0.259) 2.135 4.758 ( -2.391 8.619 -1.541) 9.077 5.149 ( -0.159 -20.205 0.363) 20.209 5.200 ( 4.190 13.735 -0.083) 14.360 5.483 ( 2.933 -11.207 2.267) 11.804 6.277 ( -0.210 3.525 1.527) 3.848 6.383 ( -0.946 -5.542 2.969) 6.358 7.027 ( -0.353 4.503 2.461) 5.144 7.155 ( 2.649 -6.956 -1.917) 7.686 7.452 ( -3.722 3.289 7.070) 8.640 7.532 ( -3.522 -3.669 1.430) 5.283 8.066 ( 0.317 10.357 1.694) 10.499 8.282 ( 0.527 -8.521 3.110) 9.087 8.431 ( -0.415 5.507 -2.043) 5.889 8.567 ( -0.952 -7.056 -6.004) 9.314 11.922 ( 0.066 6.807 0.368) 6.817 12.060 ( 0.177 -5.461 -0.412) 5.480 12.694 ( 0.140 2.624 -0.652) 2.708 12.734 ( -0.304 -1.078 -0.126) 1.127 12.908 ( -0.645 3.142 0.208) 3.215 13.018 ( -0.939 -6.376 0.676) 6.480 13.800 ( 0.169 3.664 -1.381) 3.920 13.875 ( -0.186 -2.715 -0.522) 2.771 14.093 ( -0.319 1.294 0.021) 1.333 14.144 ( -0.167 -2.903 0.077) 2.909 14.447 ( 0.681 5.098 -1.470) 5.349 14.566 ( 0.634 -5.608 -1.624) 5.873 ======================= Grid point 249 (147/168) ======================= q-point: (-0.36 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -4.283 2.084 2.842) 5.547 2.263 ( -4.559 -0.300 5.634) 7.254 2.468 ( 4.695 3.714 -0.035) 5.986 2.541 ( 5.163 -3.647 1.873) 6.593 2.706 ( -0.735 4.623 2.019) 5.098 2.865 ( -2.003 -7.866 1.337) 8.226 3.805 ( 1.996 8.362 4.912) 9.902 3.928 ( 2.330 0.658 3.400) 4.174 4.433 ( -3.119 11.091 6.275) 13.119 4.541 ( -5.595 6.517 -3.693) 9.350 4.681 ( -4.901 7.498 -0.741) 8.988 5.120 ( -2.612 -20.009 0.229) 20.180 5.305 ( 6.233 11.903 -0.691) 13.454 5.571 ( 4.615 -10.530 2.475) 11.760 6.266 ( -1.185 3.956 0.144) 4.132 6.383 ( -0.253 -6.244 2.454) 6.713 7.023 ( -0.643 6.455 0.189) 6.489 7.186 ( 1.612 -8.366 -3.964) 9.397 7.393 ( -5.816 3.839 8.584) 11.057 7.481 ( -2.795 -3.780 3.067) 5.614 8.056 ( -1.721 8.874 0.776) 9.072 8.255 ( -3.546 -8.070 0.833) 8.854 8.447 ( 1.576 3.639 0.899) 4.066 8.543 ( 0.887 -4.889 -4.126) 6.459 11.923 ( -0.041 6.636 0.097) 6.637 12.057 ( -0.249 -5.224 -0.743) 5.282 12.698 ( 0.440 2.482 -0.422) 2.556 12.733 ( 0.228 -0.790 0.352) 0.894 12.892 ( -1.155 2.779 0.477) 3.048 12.995 ( -1.839 -6.098 0.882) 6.430 13.793 ( -0.237 3.746 -1.416) 4.012 13.868 ( -0.356 -2.529 -0.341) 2.577 14.092 ( 0.166 0.986 0.341) 1.057 14.140 ( -0.208 -2.950 0.128) 2.960 14.454 ( 0.731 4.919 -1.626) 5.233 14.569 ( 0.476 -5.446 -1.906) 5.790 ======================= Grid point 250 (148/168) ======================= q-point: (-0.27 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -3.745 2.245 4.734) 6.440 2.223 ( -2.408 -1.604 5.922) 6.591 2.540 ( -0.306 4.931 5.864) 7.668 2.634 ( 2.828 -3.859 7.316) 8.741 2.782 ( 7.673 0.849 3.580) 8.510 2.857 ( 1.652 -5.502 1.341) 5.899 3.875 ( 3.267 7.406 3.346) 8.759 3.983 ( 1.790 0.507 3.171) 3.676 4.355 ( -7.193 5.874 1.753) 9.451 4.399 ( -6.944 9.562 -4.874) 12.783 4.575 ( -5.922 11.292 0.109) 12.752 5.063 ( -3.094 -20.747 -0.462) 20.982 5.406 ( 4.268 11.484 -0.147) 12.252 5.654 ( 2.390 -9.552 3.083) 10.318 6.238 ( -1.323 5.436 -1.923) 5.915 6.392 ( 0.217 -8.159 0.968) 8.219 7.009 ( -0.361 7.595 -1.984) 7.858 7.168 ( -1.567 -5.395 -3.864) 6.819 7.330 ( -4.078 2.900 6.549) 8.242 7.445 ( -2.834 -5.494 3.963) 7.343 8.024 ( -1.492 5.982 0.477) 6.183 8.187 ( -3.457 -7.953 0.806) 8.709 8.479 ( 1.010 3.654 2.131) 4.349 8.558 ( 1.744 -3.357 -1.421) 4.041 11.921 ( -0.180 6.265 -0.140) 6.269 12.045 ( -0.556 -4.754 -1.028) 4.896 12.704 ( 0.233 2.908 -0.345) 2.937 12.748 ( 1.165 -0.956 0.725) 1.672 12.872 ( -1.156 2.037 0.838) 2.488 12.958 ( -2.409 -5.458 1.016) 6.051 13.780 ( -0.521 4.013 -1.444) 4.296 13.859 ( -0.411 -2.689 -0.230) 2.730 14.103 ( 0.791 0.366 0.468) 0.990 14.139 ( 0.033 -2.569 0.237) 2.580 14.460 ( 0.644 4.567 -1.653) 4.899 14.567 ( 0.266 -5.121 -2.088) 5.537 ======================= Grid point 251 (149/168) ======================= q-point: (-0.18 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -2.844 3.477 5.641) 7.211 2.217 ( -0.960 -3.343 4.975) 6.071 2.525 ( -3.821 7.168 10.451) 13.236 2.690 ( -0.687 -7.602 7.473) 10.683 2.959 ( 8.805 0.973 7.920) 11.883 3.002 ( 11.030 -2.694 3.981) 12.032 3.944 ( 2.521 4.176 1.346) 5.061 4.007 ( -0.737 -0.457 -0.090) 0.872 4.208 ( -7.879 5.870 2.835) 10.226 4.235 ( -8.399 4.359 -3.729) 10.171 4.469 ( -4.829 18.851 -1.239) 19.499 5.007 ( -2.254 -21.415 -1.773) 21.607 5.455 ( 0.554 11.114 1.378) 11.213 5.678 ( -1.514 -7.957 3.736) 8.920 6.197 ( -1.619 7.137 -4.565) 8.625 6.391 ( -0.433 -10.071 -1.142) 10.145 6.995 ( 0.084 7.499 -2.959) 8.062 7.118 ( -1.807 -0.005 -1.781) 2.537 7.287 ( -2.918 0.270 3.128) 4.286 7.408 ( -2.345 -6.454 2.141) 7.193 8.009 ( -0.551 3.080 0.742) 3.215 8.141 ( -1.992 -8.361 1.595) 8.742 8.506 ( 0.877 4.771 2.963) 5.684 8.591 ( 1.687 -2.942 1.148) 3.581 11.916 ( -0.267 5.797 -0.220) 5.807 12.029 ( -0.663 -4.210 -1.172) 4.420 12.700 ( -0.479 3.900 -0.573) 3.971 12.778 ( 1.379 -2.292 0.681) 2.760 12.864 ( -0.066 1.059 1.337) 1.707 12.919 ( -1.915 -4.032 1.100) 4.597 13.762 ( -0.630 4.398 -1.440) 4.670 13.851 ( -0.349 -3.189 -0.183) 3.214 14.125 ( 1.161 -0.198 0.374) 1.236 14.145 ( 0.435 -1.940 0.334) 2.016 14.463 ( 0.456 4.127 -1.535) 4.426 14.561 ( 0.076 -4.721 -2.089) 5.163 ======================= Grid point 252 (150/168) ======================= q-point: (-0.09 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -2.071 4.715 5.917) 7.844 2.222 ( -0.812 -4.419 4.277) 6.203 2.509 ( -2.938 8.916 12.483) 15.619 2.702 ( -0.940 -8.659 7.160) 11.275 3.187 ( 10.298 2.393 9.875) 14.467 3.238 ( 10.625 -1.874 7.081) 12.906 3.923 ( -6.267 0.557 -3.919) 7.413 3.935 ( -5.035 -0.456 -2.105) 5.477 4.102 ( -2.741 2.407 0.560) 3.690 4.122 ( -4.101 0.659 6.413) 7.640 4.396 ( -1.313 26.044 -3.613) 26.326 4.966 ( -0.860 -21.504 -3.094) 21.742 5.443 ( -2.714 10.591 3.521) 11.487 5.636 ( -4.474 -6.043 4.711) 8.873 6.138 ( -1.859 8.642 -6.713) 11.100 6.366 ( -1.159 -11.392 -2.560) 11.733 6.984 ( -0.052 6.330 -2.756) 6.904 7.093 ( -0.122 0.127 -1.846) 1.854 7.252 ( -1.709 1.747 2.353) 3.392 7.381 ( -0.798 -6.055 -0.533) 6.131 8.004 ( -0.382 1.374 0.867) 1.669 8.121 ( -1.209 -8.905 2.280) 9.271 8.540 ( 1.196 5.333 3.359) 6.415 8.629 ( 1.325 -2.924 2.827) 4.278 11.910 ( -0.249 5.325 -0.122) 5.332 12.012 ( -0.541 -3.712 -1.122) 3.915 12.683 ( -0.733 4.596 -0.820) 4.725 12.796 ( 0.319 -4.882 0.184) 4.896 12.881 ( 1.024 0.499 1.492) 1.877 12.905 ( -0.082 -1.639 1.059) 1.953 13.745 ( -0.429 4.824 -1.391) 5.039 13.846 ( -0.086 -3.903 -0.222) 3.911 14.145 ( 0.693 -0.192 0.318) 0.786 14.158 ( 0.852 -1.554 0.153) 1.779 14.463 ( 0.217 3.732 -1.310) 3.961 14.553 ( -0.023 -4.360 -1.892) 4.753 ======================= Grid point 275 (151/168) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 -0.000) 0.000 2.587 ( -0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.798 ( -0.000 0.000 -0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.386 ( -0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 6.611 ( -0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 7.149 ( -0.000 0.000 -0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 8.175 ( 0.000 0.000 0.000) 0.000 8.350 ( -0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 11.776 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 12.938 ( 0.000 0.000 0.000) 0.000 13.002 ( 0.000 0.000 0.000) 0.000 13.586 ( 0.000 0.000 0.000) 0.000 13.956 ( -0.000 0.000 0.000) 0.000 14.162 ( -0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 277 (152/168) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 1.789 0.000 0.245) 1.806 2.368 ( 0.419 0.000 -0.058) 0.423 2.493 ( -0.425 0.000 -5.524) 5.540 2.630 ( 2.335 0.000 6.885) 7.271 3.333 ( -5.603 0.000 -4.427) 7.140 3.417 ( -6.669 0.000 3.281) 7.433 3.468 ( -6.568 0.000 -10.572) 12.446 3.787 ( -1.322 0.000 4.739) 4.920 3.990 ( 1.873 0.000 -0.790) 2.033 4.068 ( 4.278 0.000 2.368) 4.889 4.483 ( 8.854 0.000 -3.028) 9.358 4.973 ( -3.824 0.000 4.329) 5.776 5.519 ( 1.844 0.000 -0.487) 1.907 5.681 ( 2.950 0.000 3.513) 4.588 5.765 ( 4.083 0.000 5.091) 6.526 6.633 ( 2.237 0.000 0.470) 2.285 6.867 ( -2.073 0.000 0.573) 2.151 7.082 ( -0.113 0.000 -8.772) 8.772 7.302 ( 7.389 0.000 4.990) 8.916 7.370 ( -1.230 0.000 2.235) 2.552 8.191 ( 1.576 0.000 -0.064) 1.577 8.296 ( -5.219 0.000 -1.783) 5.515 8.480 ( 1.266 0.000 -0.245) 1.290 8.747 ( -1.470 0.000 -1.501) 2.101 11.773 ( -0.275 0.000 -0.176) 0.327 12.053 ( 0.850 0.000 0.677) 1.086 12.575 ( 0.939 0.000 0.292) 0.983 12.868 ( -1.725 0.000 -1.326) 2.176 12.917 ( -1.617 0.000 -0.177) 1.627 13.033 ( 2.959 0.000 -1.065) 3.145 13.599 ( 1.144 0.000 0.381) 1.206 13.953 ( -0.046 0.000 -1.346) 1.347 14.160 ( -0.278 0.000 0.290) 0.402 14.217 ( -0.443 0.000 0.241) 0.504 14.360 ( -0.597 0.000 0.197) 0.629 14.647 ( 0.315 0.000 0.479) 0.573 ======================= Grid point 278 (153/168) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.699 0.000 0.223) 2.708 2.381 ( 1.024 0.000 -0.418) 1.106 2.442 ( -4.537 0.000 1.070) 4.661 2.725 ( 5.882 0.000 0.956) 5.959 3.155 ( -10.297 0.000 -6.366) 12.106 3.266 ( -7.482 0.000 -15.253) 16.989 3.292 ( -7.719 0.000 5.162) 9.286 3.823 ( 2.156 0.000 9.235) 9.483 4.002 ( -0.280 0.000 -2.492) 2.508 4.208 ( 9.708 0.000 -0.821) 9.743 4.632 ( 7.529 0.000 -3.300) 8.221 4.901 ( -6.351 0.000 7.836) 10.086 5.561 ( 2.806 0.000 -1.037) 2.992 5.753 ( 2.010 0.000 4.875) 5.273 5.892 ( 5.850 0.000 7.538) 9.541 6.702 ( 4.834 0.000 0.392) 4.850 6.813 ( -3.946 0.000 0.347) 3.961 7.088 ( 4.618 0.000 -7.085) 8.457 7.358 ( -1.300 0.000 4.061) 4.264 7.467 ( 7.895 0.000 1.862) 8.111 8.147 ( -9.000 0.000 -2.815) 9.430 8.228 ( 2.110 0.000 0.111) 2.113 8.505 ( 0.918 0.000 -0.022) 0.919 8.710 ( -0.818 0.000 -3.050) 3.158 11.766 ( -0.358 0.000 -0.164) 0.394 12.079 ( 1.398 0.000 1.033) 1.738 12.596 ( 0.923 0.000 0.329) 0.980 12.821 ( -2.112 0.000 -1.919) 2.854 12.887 ( -1.202 0.000 -0.495) 1.300 13.092 ( 3.617 0.000 -1.283) 3.838 13.628 ( 1.539 0.000 0.496) 1.617 13.943 ( -0.062 0.000 -2.264) 2.265 14.155 ( -0.295 0.000 -0.085) 0.307 14.208 ( -0.642 0.000 0.897) 1.103 14.346 ( -1.007 0.000 0.369) 1.072 14.658 ( 0.569 0.000 0.779) 0.964 ======================= Grid point 279 (154/168) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 2.784 0.000 -0.570) 2.841 2.314 ( -10.302 0.000 4.605) 11.285 2.398 ( 0.865 0.000 -0.752) 1.146 2.855 ( 8.046 0.000 -3.129) 8.633 2.918 ( -10.960 0.000 -7.080) 13.048 3.073 ( -6.313 0.000 -13.001) 14.453 3.194 ( -4.791 0.000 5.812) 7.532 3.948 ( 6.790 0.000 8.725) 11.056 3.955 ( -2.923 0.000 -4.739) 5.568 4.406 ( 11.211 0.000 -2.247) 11.434 4.722 ( 3.126 0.000 -2.464) 3.980 4.809 ( -7.132 0.000 9.359) 11.767 5.612 ( 3.018 0.000 -1.188) 3.244 5.780 ( -1.716 0.000 5.275) 5.547 6.034 ( 5.725 0.000 6.231) 8.461 6.726 ( -4.752 0.000 -1.234) 4.909 6.813 ( 6.692 0.000 -0.560) 6.715 7.189 ( 7.628 0.000 -2.005) 7.887 7.359 ( -0.820 0.000 5.094) 5.160 7.594 ( 5.085 0.000 -2.639) 5.729 7.954 ( -9.458 0.000 -1.858) 9.639 8.271 ( 2.401 0.000 0.524) 2.457 8.498 ( -1.901 0.000 1.164) 2.229 8.706 ( 2.086 0.000 -4.663) 5.108 11.759 ( -0.298 0.000 -0.037) 0.301 12.112 ( 1.528 0.000 1.012) 1.833 12.607 ( 0.058 0.000 0.134) 0.146 12.780 ( -1.260 0.000 -1.677) 2.097 12.872 ( -0.197 0.000 -0.425) 0.468 13.151 ( 3.047 0.000 -1.069) 3.229 13.657 ( 1.263 0.000 0.391) 1.322 13.932 ( -0.058 0.000 -2.472) 2.472 14.147 ( -0.442 0.000 -0.694) 0.823 14.205 ( -0.124 0.000 1.480) 1.485 14.327 ( -1.099 0.000 0.464) 1.193 14.674 ( 0.669 0.000 0.814) 1.053 ======================= Grid point 280 (155/168) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -11.430 0.000 3.770) 12.036 2.232 ( 2.977 0.000 -1.633) 3.395 2.404 ( 0.049 0.000 -0.340) 0.343 2.698 ( -8.959 0.000 -5.637) 10.585 2.922 ( -4.552 0.000 -8.243) 9.417 2.979 ( 5.528 0.000 -2.575) 6.098 3.168 ( -0.191 0.000 4.194) 4.198 3.863 ( -3.955 0.000 -5.277) 6.595 4.144 ( 9.743 0.000 7.774) 12.464 4.573 ( 6.679 0.000 -6.457) 9.290 4.723 ( -5.657 0.000 7.848) 9.674 4.741 ( 0.417 0.000 1.154) 1.227 5.661 ( 2.526 0.000 -0.841) 2.662 5.741 ( -4.151 0.000 4.186) 5.895 6.154 ( 4.469 0.000 3.637) 5.762 6.638 ( -3.518 0.000 -1.763) 3.935 6.937 ( 6.587 0.000 -1.639) 6.787 7.328 ( 5.704 0.000 3.677) 6.787 7.363 ( -1.307 0.000 4.770) 4.946 7.611 ( 0.006 0.000 -10.021) 10.021 7.819 ( -4.347 0.000 2.397) 4.964 8.325 ( 3.097 0.000 0.332) 3.115 8.456 ( -2.988 0.000 2.583) 3.950 8.731 ( 2.328 0.000 -4.858) 5.387 11.754 ( -0.204 0.000 0.039) 0.207 12.142 ( 1.200 0.000 0.713) 1.396 12.602 ( -0.485 0.000 -0.019) 0.485 12.761 ( -0.249 0.000 -0.994) 1.025 12.873 ( 0.380 0.000 -0.200) 0.430 13.194 ( 1.808 0.000 -0.672) 1.928 13.677 ( 0.733 0.000 0.220) 0.765 13.921 ( -0.051 0.000 -1.905) 1.905 14.134 ( -0.513 0.000 -0.541) 0.745 14.215 ( 0.430 0.000 1.091) 1.173 14.310 ( -0.841 0.000 0.405) 0.933 14.689 ( 0.541 0.000 0.601) 0.809 ======================= Grid point 281 (156/168) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -5.048 0.000 1.375) 5.232 2.280 ( 2.416 0.000 -1.226) 2.709 2.399 ( -0.541 0.000 0.645) 0.842 2.548 ( -4.202 0.000 -2.642) 4.963 2.837 ( -1.731 0.000 -2.686) 3.195 3.028 ( 0.883 0.000 -0.225) 0.911 3.206 ( 1.790 0.000 0.898) 2.002 3.783 ( -2.081 0.000 -2.409) 3.183 4.361 ( 8.984 0.000 7.292) 11.571 4.547 ( -4.552 0.000 -8.096) 9.288 4.672 ( -2.142 0.000 3.099) 3.767 4.787 ( 2.186 0.000 1.602) 2.710 5.685 ( -2.318 0.000 1.603) 2.818 5.693 ( 1.023 0.000 -0.289) 1.063 6.225 ( 1.776 0.000 1.155) 2.118 6.587 ( -1.195 0.000 -0.808) 1.443 7.029 ( 3.168 0.000 -1.158) 3.373 7.352 ( -1.154 0.000 2.230) 2.511 7.391 ( -0.546 0.000 3.333) 3.377 7.593 ( 2.634 0.000 -6.606) 7.112 7.775 ( -1.960 0.000 1.962) 2.773 8.381 ( 2.920 0.000 -2.191) 3.651 8.417 ( -2.604 0.000 3.903) 4.692 8.744 ( 0.768 0.000 -2.326) 2.449 11.751 ( -0.077 0.000 0.024) 0.081 12.160 ( 0.459 0.000 0.256) 0.525 12.593 ( -0.266 0.000 -0.025) 0.267 12.758 ( 0.066 0.000 -0.306) 0.313 12.879 ( 0.224 0.000 -0.049) 0.229 13.214 ( 0.562 0.000 -0.227) 0.606 13.687 ( 0.227 0.000 0.069) 0.238 13.914 ( -0.024 0.000 -0.717) 0.718 14.126 ( -0.214 0.000 -0.167) 0.272 14.226 ( 0.264 0.000 0.365) 0.451 14.301 ( -0.314 0.000 0.164) 0.354 14.698 ( 0.208 0.000 0.220) 0.302 ======================= Grid point 287 (157/168) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -0.000 2.443 0.000) 2.443 2.338 ( 0.000 -2.373 0.000) 2.373 2.552 ( -0.000 3.450 -0.000) 3.450 2.738 ( -0.000 7.734 -0.000) 7.734 3.438 ( 0.000 3.311 0.000) 3.311 3.554 ( 0.000 -0.432 0.000) 0.432 3.565 ( -0.000 8.225 -0.000) 8.225 3.875 ( -0.000 9.344 -0.000) 9.344 3.893 ( 0.000 -4.595 0.000) 4.595 4.073 ( 0.000 1.963 0.000) 1.963 4.286 ( 0.000 -6.570 0.000) 6.570 5.170 ( -0.000 12.828 0.000) 12.828 5.305 ( 0.000 -14.339 0.000) 14.339 5.700 ( 0.000 1.425 0.000) 1.425 5.777 ( 0.000 6.155 0.000) 6.155 6.547 ( -0.000 -6.519 0.000) 6.519 6.891 ( 0.000 0.972 0.000) 0.972 7.131 ( -0.000 -1.991 -0.000) 1.991 7.207 ( 0.000 3.036 0.000) 3.036 7.367 ( 0.000 -0.752 0.000) 0.752 8.072 ( 0.000 -5.654 0.000) 5.654 8.364 ( 0.000 -9.078 0.000) 9.078 8.467 ( -0.000 7.124 0.000) 7.124 8.743 ( 0.000 -1.774 0.000) 1.774 11.815 ( -0.000 3.423 -0.000) 3.423 12.033 ( 0.000 -1.060 0.000) 1.060 12.586 ( -0.000 2.117 0.000) 2.117 12.883 ( 0.000 -0.919 0.000) 0.919 12.933 ( -0.000 -0.420 0.000) 0.420 12.956 ( 0.000 -3.625 0.000) 3.625 13.624 ( 0.000 3.355 0.000) 3.355 13.928 ( 0.000 -2.631 0.000) 2.631 14.159 ( -0.000 -0.232 0.000) 0.232 14.202 ( 0.000 -1.517 0.000) 1.517 14.389 ( 0.000 2.074 0.000) 2.074 14.607 ( 0.000 -2.984 0.000) 2.984 ======================= Grid point 289 (158/168) ======================= q-point: ( 0.09 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 1.313 2.069 0.022) 2.451 2.337 ( -0.084 -2.566 0.320) 2.587 2.540 ( -0.864 3.830 -1.468) 4.192 2.762 ( 2.049 6.258 1.460) 6.745 3.352 ( -7.708 1.123 -3.853) 8.691 3.393 ( -8.402 -0.502 -9.185) 12.458 3.630 ( -0.148 14.179 5.485) 15.203 3.832 ( -2.588 5.710 0.377) 6.280 3.956 ( 3.951 -2.596 0.237) 4.734 4.088 ( 2.998 1.954 1.717) 3.970 4.374 ( 7.616 -7.173 -1.697) 10.599 5.152 ( -2.505 13.252 2.874) 13.790 5.329 ( 2.030 -14.239 1.158) 14.430 5.727 ( 1.681 0.777 3.771) 4.201 5.826 ( 4.069 5.782 3.451) 7.868 6.565 ( 1.746 -6.811 0.403) 7.043 6.878 ( -1.425 1.513 0.547) 2.149 7.098 ( -0.082 0.681 -5.538) 5.581 7.278 ( 4.036 -1.158 1.630) 4.504 7.385 ( 2.175 0.769 2.469) 3.379 8.070 ( -0.341 -5.974 -0.390) 5.997 8.334 ( -3.126 -5.617 0.886) 6.489 8.476 ( 1.481 4.304 -2.101) 5.014 8.723 ( -1.558 -1.747 -1.466) 2.762 11.813 ( -0.186 3.524 -0.092) 3.530 12.041 ( 0.745 -1.167 0.602) 1.510 12.596 ( 0.987 2.137 0.225) 2.365 12.864 ( -1.580 -0.611 -0.991) 1.963 12.910 ( -1.477 -0.592 -0.361) 1.631 12.988 ( 2.745 -3.648 -0.969) 4.667 13.635 ( 0.968 3.189 0.301) 3.346 13.927 ( 0.083 -2.454 -0.920) 2.622 14.156 ( -0.368 -0.328 0.099) 0.503 14.197 ( -0.472 -1.587 -0.032) 1.655 14.385 ( -0.493 2.163 0.205) 2.228 14.611 ( 0.273 -3.038 0.420) 3.079 ======================= Grid point 290 (159/168) ======================= q-point: ( 0.18 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 2.369 1.334 -0.149) 2.723 2.336 ( -0.346 -2.935 0.498) 2.997 2.507 ( -2.354 4.878 0.166) 5.419 2.819 ( 3.591 3.114 -0.474) 4.777 3.135 ( -11.759 -1.364 -5.619) 13.104 3.196 ( -7.831 -1.968 -11.301) 13.889 3.589 ( -4.483 23.812 -0.128) 24.231 3.849 ( 2.247 2.542 9.226) 9.830 3.996 ( 0.623 -0.647 -0.897) 1.269 4.216 ( 9.456 1.079 -0.972) 9.567 4.506 ( 6.282 -7.326 -0.922) 9.694 5.104 ( -4.280 14.060 4.990) 15.521 5.382 ( 2.899 -14.004 0.997) 14.336 5.775 ( 0.837 -0.714 4.561) 4.692 5.941 ( 5.359 4.657 5.865) 9.209 6.608 ( 2.186 -8.185 0.068) 8.472 6.852 ( -1.145 3.238 0.808) 3.529 7.106 ( 3.251 0.863 -3.970) 5.203 7.325 ( 1.042 -1.545 1.592) 2.451 7.488 ( 6.720 0.735 0.614) 6.788 8.035 ( -3.639 -5.150 -0.767) 6.352 8.278 ( -2.309 -1.757 1.088) 3.099 8.499 ( 1.547 1.249 -1.908) 2.756 8.681 ( -1.524 -2.057 -2.974) 3.924 11.808 ( -0.227 3.769 -0.045) 3.776 12.064 ( 1.224 -1.449 0.924) 2.110 12.618 ( 1.025 2.199 0.241) 2.438 12.822 ( -2.079 -0.167 -1.582) 2.618 12.883 ( -0.945 -0.236 -0.712) 1.207 13.043 ( 3.341 -4.250 -1.127) 5.522 13.659 ( 1.334 2.834 0.400) 3.158 13.924 ( 0.142 -1.990 -1.540) 2.520 14.146 ( -0.575 -0.674 -0.381) 0.964 14.187 ( -0.548 -1.657 0.449) 1.802 14.373 ( -0.822 2.405 0.381) 2.570 14.621 ( 0.478 -3.198 0.691) 3.306 ======================= Grid point 291 (160/168) ======================= q-point: ( 0.27 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 2.695 0.938 -0.841) 2.975 2.315 ( -3.081 -0.762 1.782) 3.640 2.454 ( -2.995 5.472 0.357) 6.249 2.883 ( 2.277 0.090 -7.475) 7.815 2.890 ( -9.670 -2.587 -4.214) 10.861 3.014 ( -5.962 -3.415 -7.209) 9.958 3.509 ( -3.229 24.961 0.095) 25.169 3.923 ( -0.308 1.975 0.083) 2.000 4.027 ( 4.425 3.237 7.544) 9.326 4.404 ( 10.502 -0.007 -2.716) 10.848 4.592 ( 2.892 -5.351 0.728) 6.126 5.035 ( -5.328 13.993 5.130) 15.828 5.441 ( 2.825 -13.576 0.772) 13.888 5.782 ( -2.278 -2.194 4.167) 5.231 6.066 ( 5.082 3.134 5.209) 7.923 6.620 ( -0.997 -8.253 -1.328) 8.418 6.870 ( 3.068 3.846 0.556) 4.951 7.176 ( 4.210 -1.889 0.934) 4.708 7.359 ( 2.192 0.958 1.158) 2.658 7.595 ( 4.379 -0.774 -3.847) 5.880 7.937 ( -5.502 -0.117 0.525) 5.528 8.273 ( 0.945 -1.463 1.610) 2.372 8.499 ( -1.327 0.495 -0.107) 1.421 8.657 ( 1.003 -3.615 -4.913) 6.181 11.805 ( -0.179 4.043 0.065) 4.047 12.093 ( 1.330 -1.814 0.913) 2.427 12.631 ( 0.212 2.312 0.083) 2.324 12.780 ( -1.431 -0.095 -1.510) 2.082 12.871 ( 0.010 0.121 -0.609) 0.621 13.098 ( 2.880 -4.637 -0.951) 5.541 13.685 ( 1.152 2.535 0.335) 2.804 13.920 ( 0.160 -1.397 -1.682) 2.192 14.131 ( -0.767 -1.161 -0.843) 1.627 14.184 ( -0.013 -1.678 0.879) 1.894 14.359 ( -0.876 2.729 0.468) 2.904 14.634 ( 0.544 -3.434 0.736) 3.554 ======================= Grid point 292 (161/168) ======================= q-point: ( 0.36 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -3.554 5.660 0.152) 6.685 2.252 ( 0.049 2.871 0.867) 3.000 2.414 ( -1.132 1.623 -0.858) 2.157 2.665 ( -9.466 -2.269 -5.480) 11.171 2.843 ( -2.695 -4.566 -9.232) 10.646 2.988 ( 2.327 -1.831 1.053) 3.143 3.481 ( 0.248 23.824 0.222) 23.826 3.861 ( -3.841 1.510 -3.518) 5.423 4.196 ( 7.516 4.259 10.280) 13.428 4.546 ( 5.265 -1.469 -7.691) 9.435 4.648 ( 3.297 -1.381 3.957) 5.332 4.952 ( -5.318 12.877 3.883) 14.463 5.490 ( 1.751 -13.127 0.994) 13.281 5.733 ( -3.900 -3.406 2.645) 5.814 6.171 ( 3.916 1.796 3.149) 5.336 6.578 ( -2.041 -5.599 -1.674) 6.190 6.954 ( 5.029 1.668 -0.532) 5.325 7.237 ( 0.336 -5.452 4.389) 7.008 7.425 ( 3.839 3.064 1.815) 5.237 7.601 ( -0.104 -1.126 -8.304) 8.381 7.874 ( -1.930 5.139 2.619) 6.082 8.317 ( 2.753 -1.388 1.435) 3.400 8.458 ( -2.885 0.361 1.692) 3.364 8.664 ( 1.625 -5.500 -5.346) 7.841 11.802 ( -0.121 4.261 0.103) 4.264 12.119 ( 1.036 -2.161 0.650) 2.483 12.629 ( -0.374 2.457 -0.039) 2.486 12.758 ( -0.414 -0.301 -0.961) 1.089 12.875 ( 0.418 0.310 -0.350) 0.627 13.139 ( 1.765 -4.803 -0.613) 5.153 13.704 ( 0.728 2.415 0.216) 2.531 13.916 ( 0.124 -0.842 -1.308) 1.561 14.113 ( -0.636 -1.411 -0.631) 1.671 14.192 ( 0.352 -1.888 0.661) 2.031 14.346 ( -0.644 3.029 0.394) 3.121 14.646 ( 0.429 -3.677 0.551) 3.743 ======================= Grid point 293 (162/168) ======================= q-point: ( 0.45 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -2.984 12.913 0.726) 13.273 2.293 ( 2.383 1.164 -0.666) 2.734 2.397 ( -0.704 -0.160 0.266) 0.769 2.505 ( -4.610 -3.025 -2.922) 6.241 2.776 ( -1.294 -4.094 -2.741) 5.094 3.027 ( 1.061 -1.636 0.301) 1.973 3.506 ( 1.501 22.713 0.052) 22.762 3.780 ( -2.596 1.015 -1.623) 3.225 4.360 ( 4.527 0.896 7.368) 8.694 4.549 ( 0.019 1.966 -6.782) 7.061 4.724 ( 1.888 0.477 1.549) 2.488 4.887 ( -2.218 10.950 1.721) 11.304 5.512 ( 0.229 -12.474 0.717) 12.496 5.682 ( -1.744 -4.559 0.660) 4.926 6.233 ( 1.544 0.992 1.021) 2.100 6.544 ( -0.784 -4.091 -0.738) 4.231 7.029 ( 2.645 0.236 -0.717) 2.751 7.235 ( -1.225 -6.043 2.112) 6.518 7.479 ( 0.086 3.597 2.978) 4.671 7.581 ( 1.795 -0.937 -5.640) 5.992 7.860 ( -0.750 7.520 1.311) 7.670 8.374 ( 2.688 -1.109 -0.977) 3.068 8.417 ( -2.410 0.220 2.905) 3.781 8.665 ( 0.476 -6.755 -2.659) 7.275 11.801 ( -0.047 4.384 0.046) 4.384 12.135 ( 0.394 -2.378 0.234) 2.421 12.622 ( -0.236 2.529 -0.034) 2.540 12.753 ( 0.017 -0.468 -0.305) 0.559 12.880 ( 0.195 0.310 -0.114) 0.384 13.159 ( 0.569 -4.823 -0.211) 4.861 13.714 ( 0.244 2.416 0.076) 2.430 13.913 ( 0.046 -0.494 -0.497) 0.703 14.103 ( -0.235 -1.478 -0.212) 1.512 14.200 ( 0.195 -2.097 0.230) 2.119 14.339 ( -0.230 3.200 0.154) 3.212 14.654 ( 0.162 -3.833 0.203) 3.842 ======================= Grid point 299 (163/168) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.000 4.322 0.000) 4.322 2.265 ( 0.000 -4.151 0.000) 4.151 2.654 ( -0.000 5.613 -0.000) 5.613 2.767 ( -0.000 -3.694 0.000) 3.694 3.499 ( 0.000 2.191 0.000) 2.191 3.536 ( 0.000 -1.265 0.000) 1.265 3.716 ( -0.000 4.410 0.000) 4.410 3.799 ( -0.000 -3.884 -0.000) 3.884 4.105 ( -0.000 1.330 0.000) 1.330 4.146 ( 0.000 -1.711 0.000) 1.711 4.343 ( -0.000 26.081 0.000) 26.081 4.906 ( 0.000 -22.668 0.000) 22.668 5.458 ( 0.000 12.162 0.000) 12.162 5.656 ( 0.000 -5.692 0.000) 5.692 5.990 ( 0.000 13.420 0.000) 13.420 6.313 ( -0.000 -14.463 0.000) 14.463 6.949 ( 0.000 4.256 0.000) 4.256 7.055 ( 0.000 -4.815 0.000) 4.815 7.287 ( -0.000 3.815 0.000) 3.815 7.347 ( 0.000 -1.492 0.000) 1.492 8.010 ( 0.000 1.100 0.000) 1.100 8.137 ( 0.000 -9.828 0.000) 9.828 8.604 ( -0.000 5.265 0.000) 5.265 8.693 ( 0.000 -2.992 0.000) 2.992 11.907 ( -0.000 4.531 -0.000) 4.531 11.991 ( 0.000 -2.919 0.000) 2.919 12.664 ( -0.000 5.159 0.000) 5.159 12.797 ( 0.000 -6.413 0.000) 6.413 12.915 ( 0.000 -0.091 0.000) 0.091 12.922 ( 0.000 -0.523 0.000) 0.523 13.722 ( 0.000 5.397 0.000) 5.397 13.842 ( 0.000 -5.156 0.000) 5.156 14.157 ( 0.000 0.145 0.000) 0.145 14.170 ( -0.000 -1.118 0.000) 1.118 14.450 ( 0.000 3.371 0.000) 3.371 14.530 ( 0.000 -3.858 0.000) 3.858 ======================= Grid point 301 (164/168) ======================= q-point: ( 0.09 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 0.537 3.987 0.034) 4.023 2.264 ( -0.101 -4.005 0.225) 4.013 2.648 ( -0.397 5.818 -0.822) 5.889 2.768 ( 0.275 -4.275 -0.508) 4.313 3.369 ( -10.120 0.754 -5.205) 11.405 3.386 ( -9.295 -0.608 -9.126) 13.040 3.818 ( 5.294 3.823 6.145) 8.967 3.890 ( 5.728 -3.109 2.232) 6.889 4.092 ( -0.076 6.173 1.326) 6.314 4.192 ( 3.528 -1.828 -0.389) 3.992 4.367 ( 3.209 22.869 -0.854) 23.109 4.927 ( 1.960 -22.933 0.557) 23.024 5.452 ( -1.425 12.884 3.023) 13.310 5.668 ( 0.275 -6.483 3.123) 7.201 6.024 ( 2.718 12.438 2.731) 13.021 6.330 ( 1.419 -14.073 1.035) 14.182 6.948 ( -0.287 4.752 0.915) 4.848 7.058 ( 0.145 -4.447 0.805) 4.521 7.306 ( 2.475 3.554 -2.738) 5.124 7.377 ( 3.198 -1.990 -0.135) 3.769 8.009 ( -0.338 1.293 0.518) 1.433 8.135 ( -0.358 -9.442 0.890) 9.490 8.594 ( -0.663 4.930 -1.759) 5.276 8.676 ( -1.329 -2.794 -1.497) 3.437 11.908 ( 0.087 4.720 0.121) 4.722 11.996 ( 0.458 -3.108 0.391) 3.166 12.675 ( 1.000 5.084 0.023) 5.182 12.801 ( 0.192 -5.572 -0.299) 5.584 12.904 ( -0.763 0.326 -0.785) 1.142 12.923 ( 0.421 -1.630 -0.723) 1.832 13.729 ( 0.616 5.213 0.131) 5.251 13.844 ( 0.319 -4.983 -0.198) 4.997 14.152 ( -0.480 0.085 -0.299) 0.572 14.164 ( -0.465 -1.129 -0.414) 1.290 14.448 ( -0.232 3.519 0.245) 3.535 14.531 ( 0.081 -3.991 0.319) 4.005 ======================= Grid point 302 (165/168) ======================= q-point: ( 0.18 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 1.455 3.156 -0.185) 3.481 2.266 ( 0.336 -3.458 0.104) 3.476 2.635 ( -0.572 6.659 -0.767) 6.727 2.777 ( 0.961 -5.577 -0.965) 5.740 3.127 ( -11.457 0.690 -8.574) 14.326 3.156 ( -10.113 -1.791 -10.652) 14.797 3.906 ( 0.204 3.449 5.515) 6.508 3.966 ( 1.550 -1.915 2.910) 3.812 4.146 ( 4.367 14.180 4.100) 15.393 4.274 ( 6.282 0.594 -2.202) 6.683 4.460 ( 6.364 14.375 -0.390) 15.725 4.980 ( 3.250 -23.070 0.672) 23.307 5.424 ( -3.400 14.246 4.599) 15.351 5.678 ( -1.310 -8.390 4.467) 9.595 6.101 ( 3.544 10.272 3.960) 11.565 6.367 ( 1.721 -13.068 1.286) 13.243 6.950 ( 0.061 5.560 1.649) 5.800 7.069 ( 0.465 -4.523 1.932) 4.940 7.355 ( 4.083 4.318 -3.422) 6.857 7.458 ( 5.337 -3.790 -2.377) 6.964 8.001 ( -0.836 2.708 1.491) 3.203 8.136 ( 0.092 -8.502 1.976) 8.729 8.568 ( -0.876 3.716 -2.870) 4.777 8.635 ( -1.923 -2.390 -2.786) 4.144 11.912 ( 0.179 5.183 0.250) 5.192 12.010 ( 0.755 -3.589 0.623) 3.720 12.694 ( 0.901 4.679 -0.087) 4.765 12.792 ( -0.906 -3.213 -0.778) 3.427 12.888 ( -0.245 0.993 -1.054) 1.469 12.940 ( 1.764 -4.097 -0.907) 4.552 13.744 ( 0.888 4.793 0.189) 4.879 13.851 ( 0.482 -4.565 -0.304) 4.601 14.137 ( -0.750 0.070 -0.796) 1.096 14.152 ( -0.488 -1.269 -0.406) 1.419 14.443 ( -0.384 3.907 0.435) 3.949 14.535 ( 0.135 -4.350 0.542) 4.385 ======================= Grid point 303 (166/168) ======================= q-point: ( 0.27 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 2.409 2.429 -0.591) 3.471 2.280 ( 1.141 -2.191 0.066) 2.471 2.609 ( -2.376 8.045 -1.187) 8.473 2.778 ( -1.893 -7.046 -2.994) 7.886 2.891 ( -7.850 1.123 -9.427) 12.319 2.940 ( -6.949 -3.194 -7.805) 10.928 3.888 ( -2.703 6.931 2.064) 7.721 3.980 ( -1.741 -1.555 3.131) 3.905 4.274 ( 6.241 16.934 7.016) 19.363 4.405 ( 8.004 -0.784 -2.316) 8.369 4.581 ( 6.270 10.621 -0.445) 12.342 5.049 ( 3.514 -22.502 0.803) 22.789 5.360 ( -5.424 15.130 4.446) 16.676 5.647 ( -4.042 -10.270 4.089) 11.770 6.182 ( 3.200 7.841 3.332) 9.101 6.398 ( 1.014 -11.244 0.548) 11.303 6.970 ( 1.397 5.412 1.844) 5.886 7.092 ( 0.806 -5.351 2.964) 6.170 7.424 ( 4.524 4.689 -3.073) 7.204 7.533 ( 3.729 -4.647 -4.392) 7.402 8.001 ( 0.159 6.001 2.789) 6.619 8.164 ( 1.731 -7.779 3.022) 8.522 8.533 ( -1.722 2.312 -2.652) 3.917 8.587 ( -1.392 -2.682 -4.137) 5.123 11.917 ( 0.214 5.722 0.317) 5.735 12.028 ( 0.811 -4.186 0.642) 4.312 12.702 ( 0.023 3.823 -0.270) 3.833 12.766 ( -1.208 -1.601 -1.014) 2.248 12.889 ( 0.727 1.984 -0.825) 2.268 12.975 ( 2.160 -5.745 -0.728) 6.181 13.762 ( 0.838 4.366 0.185) 4.450 13.859 ( 0.482 -4.092 -0.300) 4.131 14.119 ( -0.690 0.401 -1.016) 1.292 14.145 ( -0.155 -1.733 -0.271) 1.761 14.438 ( -0.409 4.395 0.502) 4.442 14.540 ( 0.142 -4.820 0.597) 4.859 ======================= Grid point 304 (167/168) ======================= q-point: ( 0.36 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 2.880 2.250 -0.736) 3.728 2.310 ( 1.726 -0.215 0.630) 1.850 2.520 ( -5.295 6.579 -3.855) 9.283 2.618 ( -9.028 -2.604 -5.823) 11.054 2.781 ( -1.819 0.896 -6.536) 6.844 2.889 ( 1.383 -6.564 -0.949) 6.775 3.847 ( -1.858 7.717 0.319) 7.944 3.937 ( -3.551 0.582 2.257) 4.248 4.424 ( 5.712 15.071 7.686) 17.856 4.533 ( 6.269 -0.258 -2.807) 6.874 4.685 ( 4.851 8.945 -0.792) 10.206 5.112 ( 2.530 -21.577 0.946) 21.745 5.266 ( -5.892 15.316 3.110) 16.702 5.569 ( -5.221 -11.515 2.655) 12.919 6.248 ( 2.426 5.631 1.907) 6.422 6.411 ( 0.429 -8.751 -0.183) 8.764 7.013 ( 2.172 3.850 1.173) 4.574 7.116 ( 0.108 -5.424 2.820) 6.115 7.491 ( 3.399 3.165 -1.251) 4.810 7.558 ( 1.309 -2.756 -4.614) 5.532 8.034 ( 1.754 9.068 2.892) 9.678 8.226 ( 3.143 -7.376 3.503) 8.749 8.482 ( -2.517 1.876 -1.560) 3.505 8.545 ( -1.010 -4.329 -4.913) 6.626 11.922 ( 0.161 6.181 0.262) 6.188 12.045 ( 0.618 -4.731 0.472) 4.794 12.697 ( -0.404 3.202 -0.286) 3.240 12.744 ( -0.625 -1.159 -0.767) 1.524 12.902 ( 0.824 2.815 -0.494) 2.975 13.008 ( 1.500 -6.413 -0.470) 6.603 13.776 ( 0.603 4.069 0.142) 4.116 13.866 ( 0.371 -3.695 -0.218) 3.720 14.104 ( -0.407 0.917 -0.775) 1.268 14.144 ( 0.093 -2.315 -0.167) 2.322 14.433 ( -0.305 4.820 0.400) 4.846 14.545 ( 0.104 -5.253 0.460) 5.274 ======================= Grid point 305 (168/168) ======================= q-point: ( 0.45 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.27e-07 8.27e-07 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 2.362 1.934 0.208) 3.060 2.350 ( 2.234 1.920 1.448) 3.282 2.415 ( -3.657 3.672 -3.092) 6.035 2.458 ( -4.985 -1.001 -3.123) 5.967 2.744 ( -0.531 3.745 -1.721) 4.156 2.914 ( 0.964 -8.447 -0.412) 8.511 3.829 ( 0.015 5.480 -0.505) 5.504 3.883 ( -2.387 3.546 1.310) 4.471 4.534 ( 2.357 13.578 4.617) 14.533 4.606 ( 2.519 2.128 -2.746) 4.291 4.751 ( 2.100 6.584 -0.350) 6.919 5.148 ( 0.858 -20.799 0.475) 20.822 5.186 ( -2.858 15.231 1.187) 15.542 5.497 ( -2.563 -12.200 0.862) 12.496 6.286 ( 0.969 4.266 0.586) 4.414 6.416 ( 0.156 -6.978 -0.194) 6.983 7.051 ( 1.146 1.975 0.232) 2.295 7.120 ( -0.437 -4.374 1.214) 4.560 7.533 ( 0.814 1.598 1.010) 2.059 7.559 ( 0.878 -1.006 -3.075) 3.352 8.074 ( 1.048 11.312 1.309) 11.435 8.295 ( 2.133 -7.339 2.047) 7.912 8.436 ( -1.475 1.652 -0.315) 2.237 8.508 ( -0.802 -5.786 -2.978) 6.557 11.925 ( 0.058 6.447 0.101) 6.448 12.054 ( 0.231 -5.061 0.173) 5.069 12.689 ( -0.222 3.054 -0.125) 3.065 12.735 ( -0.134 -1.262 -0.267) 1.296 12.912 ( 0.313 3.231 -0.169) 3.250 13.026 ( 0.518 -6.642 -0.163) 6.664 13.785 ( 0.225 3.931 0.055) 3.938 13.871 ( 0.145 -3.462 -0.081) 3.466 14.097 ( -0.124 1.276 -0.282) 1.313 14.145 ( 0.074 -2.694 -0.055) 2.695 14.430 ( -0.112 5.058 0.152) 5.062 14.548 ( 0.038 -5.510 0.172) 5.513 =================== 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 3/19800 10.0 3308.732 2574.897 3701.227 0.000 -443.978 0.000 3/19800 20.0 401.130 419.094 486.512 0.000 -88.321 0.000 3/19800 30.0 139.088 157.805 168.457 0.000 -29.697 0.000 3/19800 40.0 72.324 85.546 88.482 0.000 -14.384 0.000 3/19800 50.0 45.910 56.213 56.528 0.000 -8.640 0.000 3/19800 60.0 32.705 41.281 40.366 0.000 -5.928 0.000 3/19800 70.0 25.084 32.503 30.965 0.000 -4.432 0.000 3/19800 80.0 20.234 26.805 24.957 0.000 -3.512 0.000 3/19800 90.0 16.918 22.829 20.843 0.000 -2.898 0.000 3/19800 100.0 14.526 19.903 17.874 0.000 -2.464 0.000 3/19800 110.0 12.726 17.660 15.641 0.000 -2.142 0.000 3/19800 120.0 11.326 15.886 13.906 0.000 -1.894 0.000 3/19800 130.0 10.207 14.446 12.521 0.000 -1.698 0.000 3/19800 140.0 9.293 13.255 11.390 0.000 -1.539 0.000 3/19800 150.0 8.532 12.251 10.451 0.000 -1.408 0.000 3/19800 160.0 7.889 11.394 9.658 0.000 -1.297 0.000 3/19800 170.0 7.339 10.653 8.980 0.000 -1.203 0.000 3/19800 180.0 6.862 10.006 8.393 0.000 -1.122 0.000 3/19800 190.0 6.445 9.436 7.880 0.000 -1.052 0.000 3/19800 200.0 6.077 8.929 7.428 0.000 -0.989 0.000 3/19800 210.0 5.750 8.475 7.027 0.000 -0.935 0.000 3/19800 220.0 5.458 8.067 6.668 0.000 -0.886 0.000 3/19800 230.0 5.194 7.698 6.344 0.000 -0.842 0.000 3/19800 240.0 4.955 7.361 6.052 0.000 -0.802 0.000 3/19800 250.0 4.738 7.054 5.786 0.000 -0.766 0.000 3/19800 260.0 4.540 6.771 5.543 0.000 -0.733 0.000 3/19800 270.0 4.358 6.511 5.320 0.000 -0.703 0.000 3/19800 280.0 4.190 6.271 5.115 0.000 -0.675 0.000 3/19800 290.0 4.035 6.048 4.925 0.000 -0.650 0.000 3/19800 300.0 3.891 5.841 4.749 0.000 -0.626 0.000 3/19800 310.0 3.758 5.647 4.586 0.000 -0.604 0.000 3/19800 320.0 3.633 5.467 4.434 0.000 -0.584 0.000 3/19800 330.0 3.517 5.297 4.291 0.000 -0.565 0.000 3/19800 340.0 3.408 5.138 4.158 0.000 -0.547 0.000 3/19800 350.0 3.305 4.988 4.033 0.000 -0.530 0.000 3/19800 360.0 3.209 4.847 3.916 0.000 -0.515 0.000 3/19800 370.0 3.118 4.714 3.805 0.000 -0.500 0.000 3/19800 380.0 3.033 4.588 3.700 0.000 -0.486 0.000 3/19800 390.0 2.952 4.469 3.601 0.000 -0.473 0.000 3/19800 400.0 2.875 4.355 3.507 0.000 -0.460 0.000 3/19800 410.0 2.802 4.248 3.419 0.000 -0.449 0.000 3/19800 420.0 2.733 4.145 3.334 0.000 -0.437 0.000 3/19800 430.0 2.667 4.048 3.254 0.000 -0.427 0.000 3/19800 440.0 2.605 3.955 3.178 0.000 -0.417 0.000 3/19800 450.0 2.545 3.866 3.105 0.000 -0.407 0.000 3/19800 460.0 2.488 3.781 3.035 0.000 -0.398 0.000 3/19800 470.0 2.434 3.700 2.969 0.000 -0.389 0.000 3/19800 480.0 2.381 3.622 2.905 0.000 -0.381 0.000 3/19800 490.0 2.332 3.547 2.844 0.000 -0.372 0.000 3/19800 500.0 2.284 3.476 2.786 0.000 -0.365 0.000 3/19800 510.0 2.238 3.407 2.730 0.000 -0.357 0.000 3/19800 520.0 2.194 3.341 2.676 0.000 -0.350 0.000 3/19800 530.0 2.151 3.278 2.624 0.000 -0.343 0.000 3/19800 540.0 2.111 3.217 2.575 0.000 -0.337 0.000 3/19800 550.0 2.072 3.158 2.527 0.000 -0.331 0.000 3/19800 560.0 2.034 3.101 2.481 0.000 -0.325 0.000 3/19800 570.0 1.997 3.046 2.436 0.000 -0.319 0.000 3/19800 580.0 1.962 2.993 2.393 0.000 -0.313 0.000 3/19800 590.0 1.928 2.942 2.352 0.000 -0.308 0.000 3/19800 600.0 1.896 2.893 2.312 0.000 -0.302 0.000 3/19800 610.0 1.864 2.845 2.274 0.000 -0.297 0.000 3/19800 620.0 1.833 2.799 2.236 0.000 -0.292 0.000 3/19800 630.0 1.804 2.755 2.200 0.000 -0.288 0.000 3/19800 640.0 1.775 2.711 2.165 0.000 -0.283 0.000 3/19800 650.0 1.748 2.669 2.131 0.000 -0.279 0.000 3/19800 660.0 1.721 2.629 2.099 0.000 -0.274 0.000 3/19800 670.0 1.695 2.589 2.067 0.000 -0.270 0.000 3/19800 680.0 1.669 2.551 2.036 0.000 -0.266 0.000 3/19800 690.0 1.645 2.514 2.006 0.000 -0.262 0.000 3/19800 700.0 1.621 2.478 1.977 0.000 -0.258 0.000 3/19800 710.0 1.598 2.443 1.949 0.000 -0.255 0.000 3/19800 720.0 1.575 2.409 1.921 0.000 -0.251 0.000 3/19800 730.0 1.554 2.376 1.895 0.000 -0.248 0.000 3/19800 740.0 1.532 2.344 1.869 0.000 -0.244 0.000 3/19800 750.0 1.512 2.312 1.844 0.000 -0.241 0.000 3/19800 760.0 1.492 2.282 1.819 0.000 -0.238 0.000 3/19800 770.0 1.472 2.252 1.795 0.000 -0.235 0.000 3/19800 780.0 1.453 2.223 1.772 0.000 -0.231 0.000 3/19800 790.0 1.434 2.195 1.749 0.000 -0.228 0.000 3/19800 800.0 1.416 2.167 1.727 0.000 -0.226 0.000 3/19800 810.0 1.399 2.140 1.706 0.000 -0.223 0.000 3/19800 820.0 1.381 2.114 1.685 0.000 -0.220 0.000 3/19800 830.0 1.365 2.089 1.664 0.000 -0.217 0.000 3/19800 840.0 1.348 2.064 1.644 0.000 -0.215 0.000 3/19800 850.0 1.332 2.039 1.625 0.000 -0.212 0.000 3/19800 860.0 1.316 2.016 1.606 0.000 -0.210 0.000 3/19800 870.0 1.301 1.992 1.587 0.000 -0.207 0.000 3/19800 880.0 1.286 1.970 1.569 0.000 -0.205 0.000 3/19800 890.0 1.272 1.948 1.551 0.000 -0.203 0.000 3/19800 900.0 1.257 1.926 1.534 0.000 -0.200 0.000 3/19800 910.0 1.244 1.905 1.517 0.000 -0.198 0.000 3/19800 920.0 1.230 1.884 1.500 0.000 -0.196 0.000 3/19800 930.0 1.217 1.864 1.484 0.000 -0.194 0.000 3/19800 940.0 1.204 1.844 1.468 0.000 -0.192 0.000 3/19800 950.0 1.191 1.824 1.452 0.000 -0.190 0.000 3/19800 960.0 1.178 1.805 1.437 0.000 -0.188 0.000 3/19800 970.0 1.166 1.787 1.422 0.000 -0.186 0.000 3/19800 980.0 1.154 1.768 1.408 0.000 -0.184 0.000 3/19800 990.0 1.142 1.750 1.393 0.000 -0.182 0.000 3/19800 1000.0 1.131 1.733 1.379 0.000 -0.180 0.000 3/19800 Thermal conductivity related properties were written into "kappa-m11510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:37:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|