----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:22:19]------------------------- 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: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.449142031751389 -1.923608550000000 0.000000000000000 b 7.449142031751389 1.923608550000000 0.000000000000000 c -1.391020678988510 0.000000000000000 9.288051871642212 Atomic positions (fractional): *1 Ge 0.25096094021114 0.25096094021114 0.21449607072055 72.640 2 Ge 0.74903905978886 0.74903905978886 0.78550392927945 72.640 *3 Ge 0.37696655568349 0.37696655568349 0.07388462386443 72.640 4 Ge 0.62303344431651 0.62303344431651 0.92611537613557 72.640 *5 Ge 0.93004327452106 0.93004327452106 0.41118320059374 72.640 6 Ge 0.06995672547894 0.06995672547894 0.58881679940626 72.640 *7 As 0.64586785468274 0.64586785468274 0.19033497343368 74.922 8 As 0.35413214531726 0.35413214531726 0.80966502656632 74.922 *9 As 0.97375437966145 0.97375437966145 0.16356157753993 74.922 10 As 0.02624562033855 0.02624562033855 0.83643842246007 74.922 *11 As 0.33381144132676 0.33381144132676 0.46058958619947 74.922 12 As 0.66618855867324 0.66618855867324 0.53941041380053 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.898284063502778 0.000000000000000 0.000000000000000 b 0.000000000000000 3.847217100000000 0.000000000000000 c -1.391020678988510 0.000000000000000 9.288051871642212 Atomic positions (fractional): *1 Ge 0.25096094021114 0.00000000000000 0.21449607072055 72.640 > 1 2 Ge 0.24903905978886 0.50000000000000 0.78550392927945 72.640 > 2 *3 Ge 0.37696655568349 0.00000000000000 0.07388462386443 72.640 > 3 4 Ge 0.12303344431651 0.50000000000000 0.92611537613557 72.640 > 4 *5 Ge 0.43004327452106 0.50000000000000 0.41118320059374 72.640 > 5 6 Ge 0.06995672547894 0.00000000000000 0.58881679940626 72.640 > 6 7 Ge 0.75096094021114 0.50000000000000 0.21449607072055 72.640 > 1 8 Ge 0.74903905978886 0.00000000000000 0.78550392927945 72.640 > 2 9 Ge 0.87696655568349 0.50000000000000 0.07388462386443 72.640 > 3 10 Ge 0.62303344431651 0.00000000000000 0.92611537613557 72.640 > 4 11 Ge 0.93004327452106 0.00000000000000 0.41118320059374 72.640 > 5 12 Ge 0.56995672547894 0.50000000000000 0.58881679940626 72.640 > 6 *13 As 0.14586785468274 0.50000000000000 0.19033497343368 74.922 > 7 14 As 0.35413214531726 0.00000000000000 0.80966502656632 74.922 > 8 *15 As 0.47375437966145 0.50000000000000 0.16356157753993 74.922 > 9 16 As 0.02624562033855 0.00000000000000 0.83643842246007 74.922 > 10 *17 As 0.33381144132676 0.00000000000000 0.46058958619947 74.922 > 11 18 As 0.16618855867324 0.50000000000000 0.53941041380053 74.922 > 12 19 As 0.64586785468274 0.00000000000000 0.19033497343368 74.922 > 7 20 As 0.85413214531726 0.50000000000000 0.80966502656632 74.922 > 8 21 As 0.97375437966145 0.00000000000000 0.16356157753993 74.922 > 9 22 As 0.52624562033855 0.50000000000000 0.83643842246007 74.922 > 10 23 As 0.83381144132676 0.50000000000000 0.46058958619947 74.922 > 11 24 As 0.66618855867324 0.00000000000000 0.53941041380053 74.922 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.898284063502778 0.000000000000000 0.000000000000000 b 0.000000000000000 11.541651300000000 0.000000000000000 c -2.782041357977020 0.000000000000000 18.576103743284424 Atomic positions (fractional): *1 Ge 0.25096094021114 0.00000000000000 0.10724803536028 72.640 > 1 2 Ge 0.25096094021114 0.33333333333333 0.10724803536028 72.640 > 1 3 Ge 0.25096094021114 0.66666666666667 0.10724803536028 72.640 > 1 4 Ge 0.25096094021114 0.00000000000000 0.60724803536028 72.640 > 1 5 Ge 0.25096094021114 0.33333333333333 0.60724803536028 72.640 > 1 6 Ge 0.25096094021114 0.66666666666667 0.60724803536028 72.640 > 1 7 Ge 0.24903905978886 0.16666666666667 0.39275196463972 72.640 > 2 8 Ge 0.24903905978886 0.50000000000000 0.39275196463972 72.640 > 2 9 Ge 0.24903905978886 0.83333333333333 0.39275196463972 72.640 > 2 10 Ge 0.24903905978886 0.16666666666667 0.89275196463972 72.640 > 2 11 Ge 0.24903905978886 0.50000000000000 0.89275196463972 72.640 > 2 12 Ge 0.24903905978886 0.83333333333333 0.89275196463972 72.640 > 2 *13 Ge 0.37696655568349 0.00000000000000 0.03694231193221 72.640 > 3 14 Ge 0.37696655568349 0.33333333333333 0.03694231193221 72.640 > 3 15 Ge 0.37696655568349 0.66666666666667 0.03694231193221 72.640 > 3 16 Ge 0.37696655568349 0.00000000000000 0.53694231193221 72.640 > 3 17 Ge 0.37696655568349 0.33333333333333 0.53694231193221 72.640 > 3 18 Ge 0.37696655568349 0.66666666666667 0.53694231193221 72.640 > 3 19 Ge 0.12303344431651 0.16666666666667 0.46305768806779 72.640 > 4 20 Ge 0.12303344431651 0.50000000000000 0.46305768806779 72.640 > 4 21 Ge 0.12303344431651 0.83333333333333 0.46305768806779 72.640 > 4 22 Ge 0.12303344431651 0.16666666666667 0.96305768806779 72.640 > 4 23 Ge 0.12303344431651 0.50000000000000 0.96305768806779 72.640 > 4 24 Ge 0.12303344431651 0.83333333333333 0.96305768806779 72.640 > 4 *25 Ge 0.43004327452106 0.16666666666667 0.20559160029687 72.640 > 5 26 Ge 0.43004327452106 0.50000000000000 0.20559160029687 72.640 > 5 27 Ge 0.43004327452106 0.83333333333333 0.20559160029687 72.640 > 5 28 Ge 0.43004327452106 0.16666666666667 0.70559160029687 72.640 > 5 29 Ge 0.43004327452106 0.50000000000000 0.70559160029687 72.640 > 5 30 Ge 0.43004327452106 0.83333333333333 0.70559160029687 72.640 > 5 31 Ge 0.06995672547894 0.00000000000000 0.29440839970313 72.640 > 6 32 Ge 0.06995672547894 0.33333333333333 0.29440839970313 72.640 > 6 33 Ge 0.06995672547894 0.66666666666667 0.29440839970313 72.640 > 6 34 Ge 0.06995672547894 0.00000000000000 0.79440839970313 72.640 > 6 35 Ge 0.06995672547894 0.33333333333333 0.79440839970313 72.640 > 6 36 Ge 0.06995672547894 0.66666666666667 0.79440839970313 72.640 > 6 37 Ge 0.75096094021114 0.16666666666667 0.10724803536028 72.640 > 1 38 Ge 0.75096094021114 0.50000000000000 0.10724803536028 72.640 > 1 39 Ge 0.75096094021114 0.83333333333333 0.10724803536028 72.640 > 1 40 Ge 0.75096094021114 0.16666666666667 0.60724803536028 72.640 > 1 41 Ge 0.75096094021114 0.50000000000000 0.60724803536028 72.640 > 1 42 Ge 0.75096094021114 0.83333333333333 0.60724803536028 72.640 > 1 43 Ge 0.74903905978886 0.00000000000000 0.39275196463972 72.640 > 2 44 Ge 0.74903905978886 0.33333333333333 0.39275196463972 72.640 > 2 45 Ge 0.74903905978886 0.66666666666667 0.39275196463972 72.640 > 2 46 Ge 0.74903905978886 0.00000000000000 0.89275196463972 72.640 > 2 47 Ge 0.74903905978886 0.33333333333333 0.89275196463972 72.640 > 2 48 Ge 0.74903905978886 0.66666666666667 0.89275196463972 72.640 > 2 49 Ge 0.87696655568349 0.16666666666667 0.03694231193221 72.640 > 3 50 Ge 0.87696655568349 0.50000000000000 0.03694231193221 72.640 > 3 51 Ge 0.87696655568349 0.83333333333333 0.03694231193221 72.640 > 3 52 Ge 0.87696655568349 0.16666666666667 0.53694231193221 72.640 > 3 53 Ge 0.87696655568349 0.50000000000000 0.53694231193221 72.640 > 3 54 Ge 0.87696655568349 0.83333333333333 0.53694231193221 72.640 > 3 55 Ge 0.62303344431651 0.00000000000000 0.46305768806779 72.640 > 4 56 Ge 0.62303344431651 0.33333333333333 0.46305768806779 72.640 > 4 57 Ge 0.62303344431651 0.66666666666667 0.46305768806779 72.640 > 4 58 Ge 0.62303344431651 0.00000000000000 0.96305768806779 72.640 > 4 59 Ge 0.62303344431651 0.33333333333333 0.96305768806779 72.640 > 4 60 Ge 0.62303344431651 0.66666666666667 0.96305768806779 72.640 > 4 61 Ge 0.93004327452106 0.00000000000000 0.20559160029687 72.640 > 5 62 Ge 0.93004327452106 0.33333333333333 0.20559160029687 72.640 > 5 63 Ge 0.93004327452106 0.66666666666667 0.20559160029687 72.640 > 5 64 Ge 0.93004327452106 0.00000000000000 0.70559160029687 72.640 > 5 65 Ge 0.93004327452106 0.33333333333333 0.70559160029687 72.640 > 5 66 Ge 0.93004327452106 0.66666666666667 0.70559160029687 72.640 > 5 67 Ge 0.56995672547894 0.16666666666667 0.29440839970313 72.640 > 6 68 Ge 0.56995672547894 0.50000000000000 0.29440839970313 72.640 > 6 69 Ge 0.56995672547894 0.83333333333333 0.29440839970313 72.640 > 6 70 Ge 0.56995672547894 0.16666666666667 0.79440839970313 72.640 > 6 71 Ge 0.56995672547894 0.50000000000000 0.79440839970313 72.640 > 6 72 Ge 0.56995672547894 0.83333333333333 0.79440839970313 72.640 > 6 *73 As 0.14586785468274 0.16666666666667 0.09516748671684 74.922 > 7 74 As 0.14586785468274 0.50000000000000 0.09516748671684 74.922 > 7 75 As 0.14586785468274 0.83333333333333 0.09516748671684 74.922 > 7 76 As 0.14586785468274 0.16666666666667 0.59516748671684 74.922 > 7 77 As 0.14586785468274 0.50000000000000 0.59516748671684 74.922 > 7 78 As 0.14586785468274 0.83333333333333 0.59516748671684 74.922 > 7 79 As 0.35413214531726 0.00000000000000 0.40483251328316 74.922 > 8 80 As 0.35413214531726 0.33333333333333 0.40483251328316 74.922 > 8 81 As 0.35413214531726 0.66666666666667 0.40483251328316 74.922 > 8 82 As 0.35413214531726 0.00000000000000 0.90483251328316 74.922 > 8 83 As 0.35413214531726 0.33333333333333 0.90483251328316 74.922 > 8 84 As 0.35413214531726 0.66666666666667 0.90483251328316 74.922 > 8 *85 As 0.47375437966145 0.16666666666667 0.08178078876997 74.922 > 9 86 As 0.47375437966145 0.50000000000000 0.08178078876997 74.922 > 9 87 As 0.47375437966145 0.83333333333333 0.08178078876997 74.922 > 9 88 As 0.47375437966145 0.16666666666667 0.58178078876997 74.922 > 9 89 As 0.47375437966145 0.50000000000000 0.58178078876997 74.922 > 9 90 As 0.47375437966145 0.83333333333333 0.58178078876997 74.922 > 9 91 As 0.02624562033855 0.00000000000000 0.41821921123003 74.922 > 10 92 As 0.02624562033855 0.33333333333333 0.41821921123003 74.922 > 10 93 As 0.02624562033855 0.66666666666667 0.41821921123003 74.922 > 10 94 As 0.02624562033855 0.00000000000000 0.91821921123003 74.922 > 10 95 As 0.02624562033855 0.33333333333333 0.91821921123003 74.922 > 10 96 As 0.02624562033855 0.66666666666667 0.91821921123003 74.922 > 10 *97 As 0.33381144132676 0.00000000000000 0.23029479309973 74.922 > 11 98 As 0.33381144132676 0.33333333333333 0.23029479309973 74.922 > 11 99 As 0.33381144132676 0.66666666666667 0.23029479309973 74.922 > 11 100 As 0.33381144132676 0.00000000000000 0.73029479309973 74.922 > 11 101 As 0.33381144132676 0.33333333333333 0.73029479309973 74.922 > 11 102 As 0.33381144132676 0.66666666666667 0.73029479309973 74.922 > 11 103 As 0.16618855867324 0.16666666666667 0.26970520690027 74.922 > 12 104 As 0.16618855867324 0.50000000000000 0.26970520690027 74.922 > 12 105 As 0.16618855867324 0.83333333333333 0.26970520690027 74.922 > 12 106 As 0.16618855867324 0.16666666666667 0.76970520690027 74.922 > 12 107 As 0.16618855867324 0.50000000000000 0.76970520690027 74.922 > 12 108 As 0.16618855867324 0.83333333333333 0.76970520690027 74.922 > 12 109 As 0.64586785468274 0.00000000000000 0.09516748671684 74.922 > 7 110 As 0.64586785468274 0.33333333333333 0.09516748671684 74.922 > 7 111 As 0.64586785468274 0.66666666666667 0.09516748671684 74.922 > 7 112 As 0.64586785468274 0.00000000000000 0.59516748671684 74.922 > 7 113 As 0.64586785468274 0.33333333333333 0.59516748671684 74.922 > 7 114 As 0.64586785468274 0.66666666666667 0.59516748671684 74.922 > 7 115 As 0.85413214531726 0.16666666666667 0.40483251328316 74.922 > 8 116 As 0.85413214531726 0.50000000000000 0.40483251328316 74.922 > 8 117 As 0.85413214531726 0.83333333333333 0.40483251328316 74.922 > 8 118 As 0.85413214531726 0.16666666666667 0.90483251328316 74.922 > 8 119 As 0.85413214531726 0.50000000000000 0.90483251328316 74.922 > 8 120 As 0.85413214531726 0.83333333333333 0.90483251328316 74.922 > 8 121 As 0.97375437966145 0.00000000000000 0.08178078876997 74.922 > 9 122 As 0.97375437966145 0.33333333333333 0.08178078876997 74.922 > 9 123 As 0.97375437966145 0.66666666666667 0.08178078876997 74.922 > 9 124 As 0.97375437966145 0.00000000000000 0.58178078876997 74.922 > 9 125 As 0.97375437966145 0.33333333333333 0.58178078876997 74.922 > 9 126 As 0.97375437966145 0.66666666666667 0.58178078876997 74.922 > 9 127 As 0.52624562033855 0.16666666666667 0.41821921123003 74.922 > 10 128 As 0.52624562033855 0.50000000000000 0.41821921123003 74.922 > 10 129 As 0.52624562033855 0.83333333333333 0.41821921123003 74.922 > 10 130 As 0.52624562033855 0.16666666666667 0.91821921123003 74.922 > 10 131 As 0.52624562033855 0.50000000000000 0.91821921123003 74.922 > 10 132 As 0.52624562033855 0.83333333333333 0.91821921123003 74.922 > 10 133 As 0.83381144132676 0.16666666666667 0.23029479309973 74.922 > 11 134 As 0.83381144132676 0.50000000000000 0.23029479309973 74.922 > 11 135 As 0.83381144132676 0.83333333333333 0.23029479309973 74.922 > 11 136 As 0.83381144132676 0.16666666666667 0.73029479309973 74.922 > 11 137 As 0.83381144132676 0.50000000000000 0.73029479309973 74.922 > 11 138 As 0.83381144132676 0.83333333333333 0.73029479309973 74.922 > 11 139 As 0.66618855867324 0.00000000000000 0.26970520690027 74.922 > 12 140 As 0.66618855867324 0.33333333333333 0.26970520690027 74.922 > 12 141 As 0.66618855867324 0.66666666666667 0.26970520690027 74.922 > 12 142 As 0.66618855867324 0.00000000000000 0.76970520690027 74.922 > 12 143 As 0.66618855867324 0.33333333333333 0.76970520690027 74.922 > 12 144 As 0.66618855867324 0.66666666666667 0.76970520690027 74.922 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 145.9450571 0.0000000 3.2352401 0.0000000 24.5601019 0.0000000 3.2366384 0.0000000 25.7175188 -------------------------- Born effective charges -------------------------- 1 Ge 1.3788524 0.0000000 1.1956291 0.0000000 1.7406627 0.0000000 0.3018318 0.0000000 1.1486525 2 Ge 1.3788524 0.0000000 1.1956291 0.0000000 1.7406627 0.0000000 0.3018318 0.0000000 1.1486525 3 Ge 2.0089352 0.0000000 -2.1163251 0.0000000 1.4910664 0.0000000 -0.2450469 0.0000000 0.8500103 4 Ge 2.0089352 0.0000000 -2.1163251 0.0000000 1.4910664 0.0000000 -0.2450469 0.0000000 0.8500103 5 Ge 1.1242014 0.0000000 3.0179590 0.0000000 1.3168551 0.0000000 0.9352952 0.0000000 1.2391856 6 Ge 1.1242014 0.0000000 3.0179590 0.0000000 1.3168551 0.0000000 0.9352952 0.0000000 1.2391856 7 As -0.8737303 0.0000000 -0.6409264 0.0000000 -1.2520666 0.0000000 0.1503343 0.0000000 -0.8847871 8 As -0.8737303 0.0000000 -0.6409264 0.0000000 -1.2520666 0.0000000 0.1503343 0.0000000 -0.8847871 9 As -1.5902344 0.0000000 -1.4434457 0.0000000 -1.7327650 0.0000000 -0.0362122 0.0000000 -0.3523021 10 As -1.5902344 0.0000000 -1.4434457 0.0000000 -1.7327650 0.0000000 -0.0362122 0.0000000 -0.3523021 11 As -2.0480243 0.0000000 -0.0128909 0.0000000 -1.5637526 0.0000000 -1.1062023 0.0000000 -2.0007593 12 As -2.0480243 0.0000000 -0.0128909 0.0000000 -1.5637526 0.0000000 -1.1062023 0.0000000 -2.0007593 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.821 Solver_block: 200 / 400 - Time: 0.775 Solver_block: 300 / 400 - Time: 0.789 Solver_block: 400 / 400 - Time: 0.782 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.247 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:22:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:22:45]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.449142031751389 -1.923608550000000 0.000000000000000 b 7.449142031751389 1.923608550000000 0.000000000000000 c -1.391020678988510 0.000000000000000 9.288051871642212 Atomic positions (fractional): 1 Ge 0.25096094021114 0.25096094021114 0.21449607072055 72.640 2 Ge 0.74903905978886 0.74903905978886 0.78550392927945 72.640 3 Ge 0.37696655568349 0.37696655568349 0.07388462386443 72.640 4 Ge 0.62303344431651 0.62303344431651 0.92611537613557 72.640 5 Ge 0.93004327452106 0.93004327452106 0.41118320059374 72.640 6 Ge 0.06995672547894 0.06995672547894 0.58881679940626 72.640 7 As 0.64586785468274 0.64586785468274 0.19033497343368 74.922 8 As 0.35413214531726 0.35413214531726 0.80966502656632 74.922 9 As 0.97375437966145 0.97375437966145 0.16356157753993 74.922 10 As 0.02624562033855 0.02624562033855 0.83643842246007 74.922 11 As 0.33381144132676 0.33381144132676 0.46058958619947 74.922 12 As 0.66618855867324 0.66618855867324 0.53941041380053 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.898284063502778 0.000000000000000 0.000000000000000 b 0.000000000000000 11.541651300000000 0.000000000000000 c -2.782041357977020 0.000000000000000 18.576103743284424 Atomic positions (fractional): 1 Ge 0.25096094021114 0.00000000000000 0.10724803536028 72.640 > 1 2 Ge 0.25096094021114 0.33333333333333 0.10724803536028 72.640 > 1 3 Ge 0.25096094021114 0.66666666666667 0.10724803536028 72.640 > 1 4 Ge 0.25096094021114 0.00000000000000 0.60724803536028 72.640 > 1 5 Ge 0.25096094021114 0.33333333333333 0.60724803536028 72.640 > 1 6 Ge 0.25096094021114 0.66666666666667 0.60724803536028 72.640 > 1 7 Ge 0.24903905978886 0.16666666666667 0.39275196463972 72.640 > 7 8 Ge 0.24903905978886 0.50000000000000 0.39275196463972 72.640 > 7 9 Ge 0.24903905978886 0.83333333333333 0.39275196463972 72.640 > 7 10 Ge 0.24903905978886 0.16666666666667 0.89275196463972 72.640 > 7 11 Ge 0.24903905978886 0.50000000000000 0.89275196463972 72.640 > 7 12 Ge 0.24903905978886 0.83333333333333 0.89275196463972 72.640 > 7 13 Ge 0.37696655568349 0.00000000000000 0.03694231193221 72.640 > 13 14 Ge 0.37696655568349 0.33333333333333 0.03694231193221 72.640 > 13 15 Ge 0.37696655568349 0.66666666666667 0.03694231193221 72.640 > 13 16 Ge 0.37696655568349 0.00000000000000 0.53694231193221 72.640 > 13 17 Ge 0.37696655568349 0.33333333333333 0.53694231193221 72.640 > 13 18 Ge 0.37696655568349 0.66666666666667 0.53694231193221 72.640 > 13 19 Ge 0.12303344431651 0.16666666666667 0.46305768806779 72.640 > 19 20 Ge 0.12303344431651 0.50000000000000 0.46305768806779 72.640 > 19 21 Ge 0.12303344431651 0.83333333333333 0.46305768806779 72.640 > 19 22 Ge 0.12303344431651 0.16666666666667 0.96305768806779 72.640 > 19 23 Ge 0.12303344431651 0.50000000000000 0.96305768806779 72.640 > 19 24 Ge 0.12303344431651 0.83333333333333 0.96305768806779 72.640 > 19 25 Ge 0.43004327452106 0.16666666666667 0.20559160029687 72.640 > 25 26 Ge 0.43004327452106 0.50000000000000 0.20559160029687 72.640 > 25 27 Ge 0.43004327452106 0.83333333333333 0.20559160029687 72.640 > 25 28 Ge 0.43004327452106 0.16666666666667 0.70559160029687 72.640 > 25 29 Ge 0.43004327452106 0.50000000000000 0.70559160029687 72.640 > 25 30 Ge 0.43004327452106 0.83333333333333 0.70559160029687 72.640 > 25 31 Ge 0.06995672547894 0.00000000000000 0.29440839970313 72.640 > 31 32 Ge 0.06995672547894 0.33333333333333 0.29440839970313 72.640 > 31 33 Ge 0.06995672547894 0.66666666666667 0.29440839970313 72.640 > 31 34 Ge 0.06995672547894 0.00000000000000 0.79440839970313 72.640 > 31 35 Ge 0.06995672547894 0.33333333333333 0.79440839970313 72.640 > 31 36 Ge 0.06995672547894 0.66666666666667 0.79440839970313 72.640 > 31 37 Ge 0.75096094021114 0.16666666666667 0.10724803536028 72.640 > 1 38 Ge 0.75096094021114 0.50000000000000 0.10724803536028 72.640 > 1 39 Ge 0.75096094021114 0.83333333333333 0.10724803536028 72.640 > 1 40 Ge 0.75096094021114 0.16666666666667 0.60724803536028 72.640 > 1 41 Ge 0.75096094021114 0.50000000000000 0.60724803536028 72.640 > 1 42 Ge 0.75096094021114 0.83333333333333 0.60724803536028 72.640 > 1 43 Ge 0.74903905978886 0.00000000000000 0.39275196463972 72.640 > 7 44 Ge 0.74903905978886 0.33333333333333 0.39275196463972 72.640 > 7 45 Ge 0.74903905978886 0.66666666666667 0.39275196463972 72.640 > 7 46 Ge 0.74903905978886 0.00000000000000 0.89275196463972 72.640 > 7 47 Ge 0.74903905978886 0.33333333333333 0.89275196463972 72.640 > 7 48 Ge 0.74903905978886 0.66666666666667 0.89275196463972 72.640 > 7 49 Ge 0.87696655568349 0.16666666666667 0.03694231193221 72.640 > 13 50 Ge 0.87696655568349 0.50000000000000 0.03694231193221 72.640 > 13 51 Ge 0.87696655568349 0.83333333333333 0.03694231193221 72.640 > 13 52 Ge 0.87696655568349 0.16666666666667 0.53694231193221 72.640 > 13 53 Ge 0.87696655568349 0.50000000000000 0.53694231193221 72.640 > 13 54 Ge 0.87696655568349 0.83333333333333 0.53694231193221 72.640 > 13 55 Ge 0.62303344431651 0.00000000000000 0.46305768806779 72.640 > 19 56 Ge 0.62303344431651 0.33333333333333 0.46305768806779 72.640 > 19 57 Ge 0.62303344431651 0.66666666666667 0.46305768806779 72.640 > 19 58 Ge 0.62303344431651 0.00000000000000 0.96305768806779 72.640 > 19 59 Ge 0.62303344431651 0.33333333333333 0.96305768806779 72.640 > 19 60 Ge 0.62303344431651 0.66666666666667 0.96305768806779 72.640 > 19 61 Ge 0.93004327452106 0.00000000000000 0.20559160029687 72.640 > 25 62 Ge 0.93004327452106 0.33333333333333 0.20559160029687 72.640 > 25 63 Ge 0.93004327452106 0.66666666666667 0.20559160029687 72.640 > 25 64 Ge 0.93004327452106 0.00000000000000 0.70559160029687 72.640 > 25 65 Ge 0.93004327452106 0.33333333333333 0.70559160029687 72.640 > 25 66 Ge 0.93004327452106 0.66666666666667 0.70559160029687 72.640 > 25 67 Ge 0.56995672547894 0.16666666666667 0.29440839970313 72.640 > 31 68 Ge 0.56995672547894 0.50000000000000 0.29440839970313 72.640 > 31 69 Ge 0.56995672547894 0.83333333333333 0.29440839970313 72.640 > 31 70 Ge 0.56995672547894 0.16666666666667 0.79440839970313 72.640 > 31 71 Ge 0.56995672547894 0.50000000000000 0.79440839970313 72.640 > 31 72 Ge 0.56995672547894 0.83333333333333 0.79440839970313 72.640 > 31 73 As 0.14586785468274 0.16666666666667 0.09516748671684 74.922 > 73 74 As 0.14586785468274 0.50000000000000 0.09516748671684 74.922 > 73 75 As 0.14586785468274 0.83333333333333 0.09516748671684 74.922 > 73 76 As 0.14586785468274 0.16666666666667 0.59516748671684 74.922 > 73 77 As 0.14586785468274 0.50000000000000 0.59516748671684 74.922 > 73 78 As 0.14586785468274 0.83333333333333 0.59516748671684 74.922 > 73 79 As 0.35413214531726 0.00000000000000 0.40483251328316 74.922 > 79 80 As 0.35413214531726 0.33333333333333 0.40483251328316 74.922 > 79 81 As 0.35413214531726 0.66666666666667 0.40483251328316 74.922 > 79 82 As 0.35413214531726 0.00000000000000 0.90483251328316 74.922 > 79 83 As 0.35413214531726 0.33333333333333 0.90483251328316 74.922 > 79 84 As 0.35413214531726 0.66666666666667 0.90483251328316 74.922 > 79 85 As 0.47375437966145 0.16666666666667 0.08178078876997 74.922 > 85 86 As 0.47375437966145 0.50000000000000 0.08178078876997 74.922 > 85 87 As 0.47375437966145 0.83333333333333 0.08178078876997 74.922 > 85 88 As 0.47375437966145 0.16666666666667 0.58178078876997 74.922 > 85 89 As 0.47375437966145 0.50000000000000 0.58178078876997 74.922 > 85 90 As 0.47375437966145 0.83333333333333 0.58178078876997 74.922 > 85 91 As 0.02624562033855 0.00000000000000 0.41821921123003 74.922 > 91 92 As 0.02624562033855 0.33333333333333 0.41821921123003 74.922 > 91 93 As 0.02624562033855 0.66666666666667 0.41821921123003 74.922 > 91 94 As 0.02624562033855 0.00000000000000 0.91821921123003 74.922 > 91 95 As 0.02624562033855 0.33333333333333 0.91821921123003 74.922 > 91 96 As 0.02624562033855 0.66666666666667 0.91821921123003 74.922 > 91 97 As 0.33381144132676 0.00000000000000 0.23029479309973 74.922 > 97 98 As 0.33381144132676 0.33333333333333 0.23029479309973 74.922 > 97 99 As 0.33381144132676 0.66666666666667 0.23029479309973 74.922 > 97 100 As 0.33381144132676 0.00000000000000 0.73029479309973 74.922 > 97 101 As 0.33381144132676 0.33333333333333 0.73029479309973 74.922 > 97 102 As 0.33381144132676 0.66666666666667 0.73029479309973 74.922 > 97 103 As 0.16618855867324 0.16666666666667 0.26970520690027 74.922 > 103 104 As 0.16618855867324 0.50000000000000 0.26970520690027 74.922 > 103 105 As 0.16618855867324 0.83333333333333 0.26970520690027 74.922 > 103 106 As 0.16618855867324 0.16666666666667 0.76970520690027 74.922 > 103 107 As 0.16618855867324 0.50000000000000 0.76970520690027 74.922 > 103 108 As 0.16618855867324 0.83333333333333 0.76970520690027 74.922 > 103 109 As 0.64586785468274 0.00000000000000 0.09516748671684 74.922 > 73 110 As 0.64586785468274 0.33333333333333 0.09516748671684 74.922 > 73 111 As 0.64586785468274 0.66666666666667 0.09516748671684 74.922 > 73 112 As 0.64586785468274 0.00000000000000 0.59516748671684 74.922 > 73 113 As 0.64586785468274 0.33333333333333 0.59516748671684 74.922 > 73 114 As 0.64586785468274 0.66666666666667 0.59516748671684 74.922 > 73 115 As 0.85413214531726 0.16666666666667 0.40483251328316 74.922 > 79 116 As 0.85413214531726 0.50000000000000 0.40483251328316 74.922 > 79 117 As 0.85413214531726 0.83333333333333 0.40483251328316 74.922 > 79 118 As 0.85413214531726 0.16666666666667 0.90483251328316 74.922 > 79 119 As 0.85413214531726 0.50000000000000 0.90483251328316 74.922 > 79 120 As 0.85413214531726 0.83333333333333 0.90483251328316 74.922 > 79 121 As 0.97375437966145 0.00000000000000 0.08178078876997 74.922 > 85 122 As 0.97375437966145 0.33333333333333 0.08178078876997 74.922 > 85 123 As 0.97375437966145 0.66666666666667 0.08178078876997 74.922 > 85 124 As 0.97375437966145 0.00000000000000 0.58178078876997 74.922 > 85 125 As 0.97375437966145 0.33333333333333 0.58178078876997 74.922 > 85 126 As 0.97375437966145 0.66666666666667 0.58178078876997 74.922 > 85 127 As 0.52624562033855 0.16666666666667 0.41821921123003 74.922 > 91 128 As 0.52624562033855 0.50000000000000 0.41821921123003 74.922 > 91 129 As 0.52624562033855 0.83333333333333 0.41821921123003 74.922 > 91 130 As 0.52624562033855 0.16666666666667 0.91821921123003 74.922 > 91 131 As 0.52624562033855 0.50000000000000 0.91821921123003 74.922 > 91 132 As 0.52624562033855 0.83333333333333 0.91821921123003 74.922 > 91 133 As 0.83381144132676 0.16666666666667 0.23029479309973 74.922 > 97 134 As 0.83381144132676 0.50000000000000 0.23029479309973 74.922 > 97 135 As 0.83381144132676 0.83333333333333 0.23029479309973 74.922 > 97 136 As 0.83381144132676 0.16666666666667 0.73029479309973 74.922 > 97 137 As 0.83381144132676 0.50000000000000 0.73029479309973 74.922 > 97 138 As 0.83381144132676 0.83333333333333 0.73029479309973 74.922 > 97 139 As 0.66618855867324 0.00000000000000 0.26970520690027 74.922 > 103 140 As 0.66618855867324 0.33333333333333 0.26970520690027 74.922 > 103 141 As 0.66618855867324 0.66666666666667 0.26970520690027 74.922 > 103 142 As 0.66618855867324 0.00000000000000 0.76970520690027 74.922 > 103 143 As 0.66618855867324 0.33333333333333 0.76970520690027 74.922 > 103 144 As 0.66618855867324 0.66666666666667 0.76970520690027 74.922 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 145.9450571 0.0000000 3.2352401 0.0000000 24.5601019 0.0000000 3.2366384 0.0000000 25.7175188 -------------------------- Born effective charges -------------------------- 1 Ge 1.3788524 0.0000000 1.1956291 0.0000000 1.7406627 0.0000000 0.3018318 0.0000000 1.1486525 2 Ge 1.3788524 0.0000000 1.1956291 0.0000000 1.7406627 0.0000000 0.3018318 0.0000000 1.1486525 3 Ge 2.0089352 0.0000000 -2.1163251 0.0000000 1.4910664 0.0000000 -0.2450469 0.0000000 0.8500103 4 Ge 2.0089352 0.0000000 -2.1163251 0.0000000 1.4910664 0.0000000 -0.2450469 0.0000000 0.8500103 5 Ge 1.1242014 0.0000000 3.0179590 0.0000000 1.3168551 0.0000000 0.9352952 0.0000000 1.2391856 6 Ge 1.1242014 0.0000000 3.0179590 0.0000000 1.3168551 0.0000000 0.9352952 0.0000000 1.2391856 7 As -0.8737303 0.0000000 -0.6409264 0.0000000 -1.2520666 0.0000000 0.1503343 0.0000000 -0.8847871 8 As -0.8737303 0.0000000 -0.6409264 0.0000000 -1.2520666 0.0000000 0.1503343 0.0000000 -0.8847871 9 As -1.5902344 0.0000000 -1.4434457 0.0000000 -1.7327650 0.0000000 -0.0362122 0.0000000 -0.3523021 10 As -1.5902344 0.0000000 -1.4434457 0.0000000 -1.7327650 0.0000000 -0.0362122 0.0000000 -0.3523021 11 As -2.0480243 0.0000000 -0.0128909 0.0000000 -1.5637526 0.0000000 -1.1062023 0.0000000 -2.0007593 12 As -2.0480243 0.0000000 -0.0128909 0.0000000 -1.5637526 0.0000000 -1.1062023 0.0000000 -2.0007593 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 85, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): 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 23:23:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:23:13]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.449142031751389 -1.923608550000000 0.000000000000000 b 7.449142031751389 1.923608550000000 0.000000000000000 c -1.391020678988510 0.000000000000000 9.288051871642212 Atomic positions (fractional): 1 Ge 0.25096094021114 0.25096094021114 0.21449607072055 72.640 2 Ge 0.74903905978886 0.74903905978886 0.78550392927945 72.640 3 Ge 0.37696655568349 0.37696655568349 0.07388462386443 72.640 4 Ge 0.62303344431651 0.62303344431651 0.92611537613557 72.640 5 Ge 0.93004327452106 0.93004327452106 0.41118320059374 72.640 6 Ge 0.06995672547894 0.06995672547894 0.58881679940626 72.640 7 As 0.64586785468274 0.64586785468274 0.19033497343368 74.922 8 As 0.35413214531726 0.35413214531726 0.80966502656632 74.922 9 As 0.97375437966145 0.97375437966145 0.16356157753993 74.922 10 As 0.02624562033855 0.02624562033855 0.83643842246007 74.922 11 As 0.33381144132676 0.33381144132676 0.46058958619947 74.922 12 As 0.66618855867324 0.66618855867324 0.53941041380053 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.898284063502778 0.000000000000000 0.000000000000000 b 0.000000000000000 11.541651300000000 0.000000000000000 c -2.782041357977020 0.000000000000000 18.576103743284424 Atomic positions (fractional): 1 Ge 0.25096094021114 0.00000000000000 0.10724803536028 72.640 > 1 2 Ge 0.25096094021114 0.33333333333333 0.10724803536028 72.640 > 1 3 Ge 0.25096094021114 0.66666666666667 0.10724803536028 72.640 > 1 4 Ge 0.25096094021114 0.00000000000000 0.60724803536028 72.640 > 1 5 Ge 0.25096094021114 0.33333333333333 0.60724803536028 72.640 > 1 6 Ge 0.25096094021114 0.66666666666667 0.60724803536028 72.640 > 1 7 Ge 0.24903905978886 0.16666666666667 0.39275196463972 72.640 > 7 8 Ge 0.24903905978886 0.50000000000000 0.39275196463972 72.640 > 7 9 Ge 0.24903905978886 0.83333333333333 0.39275196463972 72.640 > 7 10 Ge 0.24903905978886 0.16666666666667 0.89275196463972 72.640 > 7 11 Ge 0.24903905978886 0.50000000000000 0.89275196463972 72.640 > 7 12 Ge 0.24903905978886 0.83333333333333 0.89275196463972 72.640 > 7 13 Ge 0.37696655568349 0.00000000000000 0.03694231193221 72.640 > 13 14 Ge 0.37696655568349 0.33333333333333 0.03694231193221 72.640 > 13 15 Ge 0.37696655568349 0.66666666666667 0.03694231193221 72.640 > 13 16 Ge 0.37696655568349 0.00000000000000 0.53694231193221 72.640 > 13 17 Ge 0.37696655568349 0.33333333333333 0.53694231193221 72.640 > 13 18 Ge 0.37696655568349 0.66666666666667 0.53694231193221 72.640 > 13 19 Ge 0.12303344431651 0.16666666666667 0.46305768806779 72.640 > 19 20 Ge 0.12303344431651 0.50000000000000 0.46305768806779 72.640 > 19 21 Ge 0.12303344431651 0.83333333333333 0.46305768806779 72.640 > 19 22 Ge 0.12303344431651 0.16666666666667 0.96305768806779 72.640 > 19 23 Ge 0.12303344431651 0.50000000000000 0.96305768806779 72.640 > 19 24 Ge 0.12303344431651 0.83333333333333 0.96305768806779 72.640 > 19 25 Ge 0.43004327452106 0.16666666666667 0.20559160029687 72.640 > 25 26 Ge 0.43004327452106 0.50000000000000 0.20559160029687 72.640 > 25 27 Ge 0.43004327452106 0.83333333333333 0.20559160029687 72.640 > 25 28 Ge 0.43004327452106 0.16666666666667 0.70559160029687 72.640 > 25 29 Ge 0.43004327452106 0.50000000000000 0.70559160029687 72.640 > 25 30 Ge 0.43004327452106 0.83333333333333 0.70559160029687 72.640 > 25 31 Ge 0.06995672547894 0.00000000000000 0.29440839970313 72.640 > 31 32 Ge 0.06995672547894 0.33333333333333 0.29440839970313 72.640 > 31 33 Ge 0.06995672547894 0.66666666666667 0.29440839970313 72.640 > 31 34 Ge 0.06995672547894 0.00000000000000 0.79440839970313 72.640 > 31 35 Ge 0.06995672547894 0.33333333333333 0.79440839970313 72.640 > 31 36 Ge 0.06995672547894 0.66666666666667 0.79440839970313 72.640 > 31 37 Ge 0.75096094021114 0.16666666666667 0.10724803536028 72.640 > 1 38 Ge 0.75096094021114 0.50000000000000 0.10724803536028 72.640 > 1 39 Ge 0.75096094021114 0.83333333333333 0.10724803536028 72.640 > 1 40 Ge 0.75096094021114 0.16666666666667 0.60724803536028 72.640 > 1 41 Ge 0.75096094021114 0.50000000000000 0.60724803536028 72.640 > 1 42 Ge 0.75096094021114 0.83333333333333 0.60724803536028 72.640 > 1 43 Ge 0.74903905978886 0.00000000000000 0.39275196463972 72.640 > 7 44 Ge 0.74903905978886 0.33333333333333 0.39275196463972 72.640 > 7 45 Ge 0.74903905978886 0.66666666666667 0.39275196463972 72.640 > 7 46 Ge 0.74903905978886 0.00000000000000 0.89275196463972 72.640 > 7 47 Ge 0.74903905978886 0.33333333333333 0.89275196463972 72.640 > 7 48 Ge 0.74903905978886 0.66666666666667 0.89275196463972 72.640 > 7 49 Ge 0.87696655568349 0.16666666666667 0.03694231193221 72.640 > 13 50 Ge 0.87696655568349 0.50000000000000 0.03694231193221 72.640 > 13 51 Ge 0.87696655568349 0.83333333333333 0.03694231193221 72.640 > 13 52 Ge 0.87696655568349 0.16666666666667 0.53694231193221 72.640 > 13 53 Ge 0.87696655568349 0.50000000000000 0.53694231193221 72.640 > 13 54 Ge 0.87696655568349 0.83333333333333 0.53694231193221 72.640 > 13 55 Ge 0.62303344431651 0.00000000000000 0.46305768806779 72.640 > 19 56 Ge 0.62303344431651 0.33333333333333 0.46305768806779 72.640 > 19 57 Ge 0.62303344431651 0.66666666666667 0.46305768806779 72.640 > 19 58 Ge 0.62303344431651 0.00000000000000 0.96305768806779 72.640 > 19 59 Ge 0.62303344431651 0.33333333333333 0.96305768806779 72.640 > 19 60 Ge 0.62303344431651 0.66666666666667 0.96305768806779 72.640 > 19 61 Ge 0.93004327452106 0.00000000000000 0.20559160029687 72.640 > 25 62 Ge 0.93004327452106 0.33333333333333 0.20559160029687 72.640 > 25 63 Ge 0.93004327452106 0.66666666666667 0.20559160029687 72.640 > 25 64 Ge 0.93004327452106 0.00000000000000 0.70559160029687 72.640 > 25 65 Ge 0.93004327452106 0.33333333333333 0.70559160029687 72.640 > 25 66 Ge 0.93004327452106 0.66666666666667 0.70559160029687 72.640 > 25 67 Ge 0.56995672547894 0.16666666666667 0.29440839970313 72.640 > 31 68 Ge 0.56995672547894 0.50000000000000 0.29440839970313 72.640 > 31 69 Ge 0.56995672547894 0.83333333333333 0.29440839970313 72.640 > 31 70 Ge 0.56995672547894 0.16666666666667 0.79440839970313 72.640 > 31 71 Ge 0.56995672547894 0.50000000000000 0.79440839970313 72.640 > 31 72 Ge 0.56995672547894 0.83333333333333 0.79440839970313 72.640 > 31 73 As 0.14586785468274 0.16666666666667 0.09516748671684 74.922 > 73 74 As 0.14586785468274 0.50000000000000 0.09516748671684 74.922 > 73 75 As 0.14586785468274 0.83333333333333 0.09516748671684 74.922 > 73 76 As 0.14586785468274 0.16666666666667 0.59516748671684 74.922 > 73 77 As 0.14586785468274 0.50000000000000 0.59516748671684 74.922 > 73 78 As 0.14586785468274 0.83333333333333 0.59516748671684 74.922 > 73 79 As 0.35413214531726 0.00000000000000 0.40483251328316 74.922 > 79 80 As 0.35413214531726 0.33333333333333 0.40483251328316 74.922 > 79 81 As 0.35413214531726 0.66666666666667 0.40483251328316 74.922 > 79 82 As 0.35413214531726 0.00000000000000 0.90483251328316 74.922 > 79 83 As 0.35413214531726 0.33333333333333 0.90483251328316 74.922 > 79 84 As 0.35413214531726 0.66666666666667 0.90483251328316 74.922 > 79 85 As 0.47375437966145 0.16666666666667 0.08178078876997 74.922 > 85 86 As 0.47375437966145 0.50000000000000 0.08178078876997 74.922 > 85 87 As 0.47375437966145 0.83333333333333 0.08178078876997 74.922 > 85 88 As 0.47375437966145 0.16666666666667 0.58178078876997 74.922 > 85 89 As 0.47375437966145 0.50000000000000 0.58178078876997 74.922 > 85 90 As 0.47375437966145 0.83333333333333 0.58178078876997 74.922 > 85 91 As 0.02624562033855 0.00000000000000 0.41821921123003 74.922 > 91 92 As 0.02624562033855 0.33333333333333 0.41821921123003 74.922 > 91 93 As 0.02624562033855 0.66666666666667 0.41821921123003 74.922 > 91 94 As 0.02624562033855 0.00000000000000 0.91821921123003 74.922 > 91 95 As 0.02624562033855 0.33333333333333 0.91821921123003 74.922 > 91 96 As 0.02624562033855 0.66666666666667 0.91821921123003 74.922 > 91 97 As 0.33381144132676 0.00000000000000 0.23029479309973 74.922 > 97 98 As 0.33381144132676 0.33333333333333 0.23029479309973 74.922 > 97 99 As 0.33381144132676 0.66666666666667 0.23029479309973 74.922 > 97 100 As 0.33381144132676 0.00000000000000 0.73029479309973 74.922 > 97 101 As 0.33381144132676 0.33333333333333 0.73029479309973 74.922 > 97 102 As 0.33381144132676 0.66666666666667 0.73029479309973 74.922 > 97 103 As 0.16618855867324 0.16666666666667 0.26970520690027 74.922 > 103 104 As 0.16618855867324 0.50000000000000 0.26970520690027 74.922 > 103 105 As 0.16618855867324 0.83333333333333 0.26970520690027 74.922 > 103 106 As 0.16618855867324 0.16666666666667 0.76970520690027 74.922 > 103 107 As 0.16618855867324 0.50000000000000 0.76970520690027 74.922 > 103 108 As 0.16618855867324 0.83333333333333 0.76970520690027 74.922 > 103 109 As 0.64586785468274 0.00000000000000 0.09516748671684 74.922 > 73 110 As 0.64586785468274 0.33333333333333 0.09516748671684 74.922 > 73 111 As 0.64586785468274 0.66666666666667 0.09516748671684 74.922 > 73 112 As 0.64586785468274 0.00000000000000 0.59516748671684 74.922 > 73 113 As 0.64586785468274 0.33333333333333 0.59516748671684 74.922 > 73 114 As 0.64586785468274 0.66666666666667 0.59516748671684 74.922 > 73 115 As 0.85413214531726 0.16666666666667 0.40483251328316 74.922 > 79 116 As 0.85413214531726 0.50000000000000 0.40483251328316 74.922 > 79 117 As 0.85413214531726 0.83333333333333 0.40483251328316 74.922 > 79 118 As 0.85413214531726 0.16666666666667 0.90483251328316 74.922 > 79 119 As 0.85413214531726 0.50000000000000 0.90483251328316 74.922 > 79 120 As 0.85413214531726 0.83333333333333 0.90483251328316 74.922 > 79 121 As 0.97375437966145 0.00000000000000 0.08178078876997 74.922 > 85 122 As 0.97375437966145 0.33333333333333 0.08178078876997 74.922 > 85 123 As 0.97375437966145 0.66666666666667 0.08178078876997 74.922 > 85 124 As 0.97375437966145 0.00000000000000 0.58178078876997 74.922 > 85 125 As 0.97375437966145 0.33333333333333 0.58178078876997 74.922 > 85 126 As 0.97375437966145 0.66666666666667 0.58178078876997 74.922 > 85 127 As 0.52624562033855 0.16666666666667 0.41821921123003 74.922 > 91 128 As 0.52624562033855 0.50000000000000 0.41821921123003 74.922 > 91 129 As 0.52624562033855 0.83333333333333 0.41821921123003 74.922 > 91 130 As 0.52624562033855 0.16666666666667 0.91821921123003 74.922 > 91 131 As 0.52624562033855 0.50000000000000 0.91821921123003 74.922 > 91 132 As 0.52624562033855 0.83333333333333 0.91821921123003 74.922 > 91 133 As 0.83381144132676 0.16666666666667 0.23029479309973 74.922 > 97 134 As 0.83381144132676 0.50000000000000 0.23029479309973 74.922 > 97 135 As 0.83381144132676 0.83333333333333 0.23029479309973 74.922 > 97 136 As 0.83381144132676 0.16666666666667 0.73029479309973 74.922 > 97 137 As 0.83381144132676 0.50000000000000 0.73029479309973 74.922 > 97 138 As 0.83381144132676 0.83333333333333 0.73029479309973 74.922 > 97 139 As 0.66618855867324 0.00000000000000 0.26970520690027 74.922 > 103 140 As 0.66618855867324 0.33333333333333 0.26970520690027 74.922 > 103 141 As 0.66618855867324 0.66666666666667 0.26970520690027 74.922 > 103 142 As 0.66618855867324 0.00000000000000 0.76970520690027 74.922 > 103 143 As 0.66618855867324 0.33333333333333 0.76970520690027 74.922 > 103 144 As 0.66618855867324 0.66666666666667 0.76970520690027 74.922 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 145.9450571 0.0000000 3.2352401 0.0000000 24.5601019 0.0000000 3.2366384 0.0000000 25.7175188 -------------------------- Born effective charges -------------------------- 1 Ge 1.3788524 0.0000000 1.1956291 0.0000000 1.7406627 0.0000000 0.3018318 0.0000000 1.1486525 2 Ge 1.3788524 0.0000000 1.1956291 0.0000000 1.7406627 0.0000000 0.3018318 0.0000000 1.1486525 3 Ge 2.0089352 0.0000000 -2.1163251 0.0000000 1.4910664 0.0000000 -0.2450469 0.0000000 0.8500103 4 Ge 2.0089352 0.0000000 -2.1163251 0.0000000 1.4910664 0.0000000 -0.2450469 0.0000000 0.8500103 5 Ge 1.1242014 0.0000000 3.0179590 0.0000000 1.3168551 0.0000000 0.9352952 0.0000000 1.2391856 6 Ge 1.1242014 0.0000000 3.0179590 0.0000000 1.3168551 0.0000000 0.9352952 0.0000000 1.2391856 7 As -0.8737303 0.0000000 -0.6409264 0.0000000 -1.2520666 0.0000000 0.1503343 0.0000000 -0.8847871 8 As -0.8737303 0.0000000 -0.6409264 0.0000000 -1.2520666 0.0000000 0.1503343 0.0000000 -0.8847871 9 As -1.5902344 0.0000000 -1.4434457 0.0000000 -1.7327650 0.0000000 -0.0362122 0.0000000 -0.3523021 10 As -1.5902344 0.0000000 -1.4434457 0.0000000 -1.7327650 0.0000000 -0.0362122 0.0000000 -0.3523021 11 As -2.0480243 0.0000000 -0.0128909 0.0000000 -1.5637526 0.0000000 -1.1062023 0.0000000 -2.0007593 12 As -2.0480243 0.0000000 -0.0128909 0.0000000 -1.5637526 0.0000000 -1.1062023 0.0000000 -2.0007593 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] 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: 0.65, Number of G-points: 297, Lambda: 0.54 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.346 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 7.878 ( 0.000 0.000 0.000) 0.000 8.090 ( 0.000 0.000 0.000) 0.000 8.571 ( 0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 4.331 -18.864 3.800) 19.725 0.613 ( -7.050 -31.633 -1.238) 32.433 0.987 ( 16.084 -43.613 5.350) 46.791 1.670 ( -2.273 -2.834 -4.746) 5.977 1.853 ( -0.005 -4.302 0.396) 4.320 1.974 ( 1.396 -16.707 -1.528) 16.835 2.107 ( -0.378 -3.444 0.154) 3.468 2.189 ( -1.125 -10.336 2.226) 10.633 2.221 ( 4.451 -10.563 1.344) 11.541 2.492 ( 0.741 -13.926 -0.151) 13.946 2.511 ( 0.029 -8.790 -0.183) 8.792 2.678 ( -1.980 -5.158 -1.749) 5.795 2.953 ( -1.253 -5.477 0.741) 5.667 3.281 ( 3.892 -0.435 -0.150) 3.919 3.754 ( -0.258 3.284 -0.400) 3.318 4.195 ( -0.292 1.211 0.339) 1.291 4.796 ( -0.258 1.884 -0.539) 1.977 4.966 ( 0.027 2.968 0.757) 3.063 5.680 ( 1.597 3.165 0.882) 3.653 6.276 ( -0.012 2.462 -0.392) 2.493 6.379 ( -0.006 4.109 -1.129) 4.262 6.918 ( 0.055 -0.324 0.132) 0.355 6.949 ( 0.209 -0.347 -0.189) 0.447 7.154 ( -0.377 -1.136 0.145) 1.206 7.230 ( 0.267 -1.208 -0.168) 1.248 7.245 ( -2.151 2.830 0.666) 3.617 7.349 ( 0.177 -0.024 -0.067) 0.191 7.430 ( -0.134 -1.186 0.129) 1.201 7.460 ( -6.828 -0.919 1.136) 6.982 7.542 ( 0.411 5.215 0.506) 5.256 7.712 ( -3.407 2.955 -0.528) 4.541 7.743 ( 2.592 3.610 -0.001) 4.444 7.850 ( 0.133 2.758 -0.379) 2.787 8.058 ( 0.268 3.045 0.208) 3.064 8.551 ( 0.046 1.893 0.223) 1.906 8.776 ( -0.386 2.781 -0.278) 2.822 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 2.788 -18.838 3.047) 19.286 1.174 ( -8.527 -28.210 -2.029) 29.540 1.745 ( -3.974 -7.086 -6.148) 10.188 1.868 ( 11.103 -29.664 6.826) 32.401 1.984 ( 0.194 -13.210 1.159) 13.262 2.195 ( 0.893 -5.641 0.021) 5.712 2.308 ( -1.859 -8.713 -4.888) 10.162 2.399 ( 2.738 -16.350 5.261) 17.392 2.555 ( 1.659 -17.594 0.631) 17.683 2.680 ( -0.613 -5.526 -2.197) 5.978 2.828 ( -0.721 -13.603 -1.793) 13.740 2.868 ( 2.667 -19.865 0.620) 20.053 3.131 ( -2.945 -12.351 2.203) 12.887 3.326 ( 4.082 -2.344 -2.053) 5.136 3.663 ( -0.392 5.075 -0.461) 5.111 4.185 ( 0.208 -1.193 0.439) 1.288 4.748 ( -0.592 2.267 -0.469) 2.390 4.889 ( 0.025 4.439 0.906) 4.531 5.603 ( 0.400 4.884 0.101) 4.902 6.207 ( -0.316 4.124 -0.524) 4.169 6.271 ( -0.031 6.193 -0.744) 6.238 6.918 ( 0.123 0.644 0.135) 0.669 6.941 ( 0.104 1.648 -0.212) 1.665 7.150 ( -0.860 5.125 1.167) 5.326 7.171 ( -1.945 0.192 0.273) 1.974 7.251 ( 0.714 0.057 -0.542) 0.898 7.325 ( 0.423 3.515 0.058) 3.540 7.401 ( -2.240 4.793 0.126) 5.292 7.438 ( 0.102 2.465 0.054) 2.468 7.454 ( 1.261 0.466 0.832) 1.581 7.625 ( -1.361 4.120 -0.310) 4.350 7.672 ( 0.477 3.572 0.338) 3.619 7.772 ( -0.151 4.644 -0.966) 4.745 7.987 ( 0.182 3.816 0.184) 3.825 8.509 ( 0.241 2.055 0.543) 2.140 8.701 ( -0.451 4.148 -0.490) 4.201 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 1.201 -17.495 2.617) 17.731 1.639 ( -10.438 -23.262 -3.189) 25.695 1.866 ( -4.847 -7.728 -3.613) 9.812 2.067 ( -0.944 -4.974 3.757) 6.304 2.286 ( -0.955 -5.704 -0.673) 5.823 2.385 ( -1.365 -2.277 -2.716) 3.798 2.548 ( -3.976 -15.436 0.438) 15.946 2.699 ( 0.956 -11.545 1.350) 11.663 2.748 ( -0.001 -6.734 0.993) 6.807 2.938 ( 7.083 -15.816 0.214) 17.331 3.117 ( 2.014 -13.324 1.792) 13.594 3.215 ( -2.222 -10.751 1.741) 11.116 3.371 ( 0.049 -8.110 -0.700) 8.140 3.430 ( 3.256 -9.434 -0.664) 10.002 3.604 ( 6.891 -0.422 -0.113) 6.904 4.281 ( 0.645 -8.243 -0.423) 8.279 4.717 ( 0.147 0.212 0.022) 0.259 4.818 ( 0.166 1.671 0.154) 1.686 5.504 ( -0.195 4.408 -0.675) 4.464 6.120 ( -1.071 3.722 -0.345) 3.888 6.151 ( -0.114 5.163 -0.109) 5.165 6.867 ( -0.593 5.644 0.631) 5.710 6.881 ( 0.515 3.627 -0.699) 3.729 7.020 ( -0.487 6.769 0.720) 6.825 7.125 ( -2.482 3.937 1.606) 4.924 7.180 ( 0.576 7.086 0.018) 7.109 7.235 ( 1.635 4.547 -0.152) 4.834 7.334 ( -2.985 1.225 -0.602) 3.282 7.393 ( 0.962 2.253 -0.054) 2.450 7.432 ( -0.300 2.564 -1.318) 2.899 7.557 ( -0.648 1.594 -1.029) 2.005 7.597 ( 0.480 4.704 1.870) 5.085 7.694 ( -1.210 2.161 -0.811) 2.606 7.918 ( -0.079 2.960 0.090) 2.962 8.483 ( 0.767 0.804 0.656) 1.290 8.618 ( -0.043 3.718 -0.546) 3.758 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.241 -15.212 2.485) 15.415 1.951 ( -7.262 -9.680 -2.051) 12.273 2.025 ( -9.550 -14.713 -2.381) 17.702 2.142 ( -1.749 -3.422 2.152) 4.405 2.352 ( -2.073 0.571 -3.511) 4.117 2.386 ( -6.679 -1.854 -5.095) 8.602 2.591 ( -3.131 0.387 -1.039) 3.322 2.831 ( -1.279 -1.143 5.385) 5.652 2.901 ( -5.664 -5.833 4.090) 9.101 3.129 ( 1.178 -0.017 -1.712) 2.078 3.276 ( 1.956 0.356 3.394) 3.933 3.400 ( 0.088 -8.436 0.242) 8.440 3.470 ( 5.035 -5.432 2.146) 7.712 3.652 ( 6.605 -6.272 -0.670) 9.133 3.761 ( 11.225 -6.168 -0.150) 12.809 4.475 ( 0.124 -9.696 -0.650) 9.719 4.763 ( 1.276 -4.933 -0.216) 5.100 4.874 ( 0.343 -7.604 -0.574) 7.633 5.459 ( -0.009 -0.975 -1.241) 1.578 6.067 ( -1.781 0.311 0.339) 1.839 6.097 ( -0.038 -0.477 -0.155) 0.503 6.731 ( -0.762 6.757 0.716) 6.838 6.777 ( 0.743 6.409 -0.776) 6.498 6.889 ( -0.103 6.361 0.555) 6.386 6.999 ( -0.932 7.221 2.490) 7.695 7.052 ( 0.130 5.878 -0.418) 5.894 7.139 ( 0.780 5.463 0.442) 5.536 7.294 ( -3.344 1.303 -1.088) 3.750 7.336 ( -0.862 3.699 -2.100) 4.340 7.374 ( -1.270 2.002 -0.668) 2.463 7.503 ( 0.879 3.803 0.770) 3.979 7.551 ( -1.653 -0.102 -0.505) 1.732 7.649 ( -0.941 2.413 0.147) 2.594 7.868 ( -0.291 2.023 0.059) 2.045 8.484 ( 1.193 -0.250 0.545) 1.335 8.558 ( 0.567 2.312 -0.410) 2.416 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.271 -12.166 1.992) 12.331 2.039 ( -5.143 -3.443 1.160) 6.297 2.148 ( -2.665 -0.493 1.192) 2.960 2.222 ( -9.143 5.350 -7.435) 12.942 2.300 ( -10.814 -14.262 -6.832) 19.157 2.415 ( -1.982 -2.369 -1.705) 3.528 2.591 ( 2.464 -0.193 4.534) 5.163 2.817 ( 0.976 2.463 7.414) 7.873 2.901 ( -6.668 1.503 1.082) 6.920 3.093 ( 1.444 2.159 -0.879) 2.742 3.246 ( 1.260 3.008 1.378) 3.541 3.433 ( -4.434 2.965 -1.611) 5.572 3.524 ( 3.171 2.168 2.643) 4.663 3.757 ( 10.154 0.964 0.735) 10.226 3.873 ( 7.536 -0.854 -0.941) 7.642 4.664 ( 0.282 -9.038 0.340) 9.049 4.906 ( 2.071 -7.103 -0.174) 7.401 5.074 ( -0.810 -10.508 -1.257) 10.614 5.550 ( 1.138 -7.087 -1.026) 7.251 6.103 ( -1.114 -4.276 0.855) 4.500 6.164 ( 0.662 -5.327 -0.549) 5.395 6.615 ( -0.346 4.524 0.058) 4.538 6.672 ( 0.765 3.386 0.314) 3.486 6.766 ( -0.141 5.565 0.188) 5.570 6.856 ( 0.106 6.452 0.621) 6.483 6.937 ( -0.516 5.747 1.088) 5.872 7.020 ( -1.463 6.531 0.089) 6.694 7.237 ( -2.151 2.713 -2.112) 4.056 7.269 ( -1.068 1.400 -0.393) 1.804 7.349 ( -1.483 -0.430 -0.496) 1.621 7.438 ( 0.233 3.184 0.873) 3.310 7.542 ( -1.671 0.396 -0.026) 1.718 7.580 ( -0.498 3.872 -0.727) 3.971 7.834 ( -0.327 1.257 0.047) 1.299 8.499 ( 1.102 -0.490 0.315) 1.247 8.529 ( 0.811 1.010 -0.180) 1.307 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -1.707 -4.063 0.068) 4.408 2.029 ( -0.960 -1.730 -0.837) 2.149 2.116 ( -1.142 -0.012 -1.192) 1.651 2.128 ( -3.205 3.119 1.068) 4.598 2.441 ( -1.145 -1.993 -3.119) 3.874 2.500 ( -7.049 -8.734 -5.980) 12.718 2.605 ( 2.164 1.259 7.924) 8.310 2.785 ( 4.435 1.555 3.590) 5.914 2.822 ( -3.714 2.735 -0.330) 4.624 3.066 ( 1.428 1.326 0.150) 1.955 3.189 ( 0.140 2.545 -0.213) 2.557 3.331 ( -4.181 2.197 -1.336) 4.908 3.476 ( 1.769 2.721 1.086) 3.422 3.748 ( 3.980 2.093 0.315) 4.508 3.901 ( 2.889 0.244 -0.260) 2.911 4.806 ( 0.036 -4.038 0.391) 4.057 5.020 ( 0.966 -2.861 -0.156) 3.024 5.228 ( -0.646 -4.508 -0.617) 4.596 5.688 ( 0.955 -4.393 -0.339) 4.508 6.188 ( -0.148 -3.138 0.587) 3.196 6.264 ( 0.699 -3.046 -0.514) 3.167 6.543 ( -0.159 2.136 -0.428) 2.184 6.678 ( 1.858 -1.287 2.336) 3.250 6.686 ( -0.679 0.486 -1.082) 1.366 6.775 ( 0.535 1.045 -0.395) 1.239 6.820 ( -0.797 4.941 0.926) 5.090 6.871 ( -2.446 6.306 -0.639) 6.794 7.187 ( -0.615 1.160 -0.753) 1.513 7.258 ( 0.041 -0.125 0.292) 0.320 7.375 ( -0.875 -1.618 0.520) 1.911 7.387 ( -0.268 0.516 -1.008) 1.164 7.478 ( -0.158 4.345 1.166) 4.501 7.541 ( -0.535 0.218 -1.106) 1.248 7.815 ( -0.138 0.447 0.020) 0.468 8.511 ( 0.433 -0.215 0.067) 0.488 8.521 ( 0.398 0.248 -0.007) 0.469 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.223 ( 19.871 -0.000 8.898) 21.772 0.327 ( 30.241 -0.000 6.773) 30.990 0.404 ( 35.626 -0.000 20.633) 41.169 1.625 ( -5.999 0.000 -10.809) 12.362 1.785 ( 1.308 -0.000 -2.797) 3.088 1.833 ( 3.933 -0.000 1.387) 4.170 2.013 ( -2.907 0.000 -0.376) 2.931 2.111 ( 4.435 -0.000 1.998) 4.864 2.140 ( 3.232 -0.000 4.616) 5.635 2.346 ( 0.585 -0.000 0.476) 0.754 2.422 ( 1.263 -0.000 -0.146) 1.271 2.599 ( -4.984 0.000 -3.488) 6.083 2.900 ( -1.456 0.000 0.896) 1.710 3.304 ( 3.429 -0.000 -0.904) 3.546 3.784 ( -2.691 0.000 -0.658) 2.770 4.207 ( -0.785 0.000 0.594) 0.984 4.811 ( -1.773 0.000 -1.347) 2.227 5.000 ( 0.299 -0.000 1.726) 1.752 5.725 ( -0.490 0.000 1.693) 1.762 6.301 ( 0.057 -0.000 -0.865) 0.867 6.420 ( -0.654 0.000 -2.594) 2.675 6.914 ( 0.121 -0.000 0.304) 0.327 6.944 ( 0.294 -0.000 -0.256) 0.390 7.138 ( 0.554 -0.000 0.366) 0.664 7.217 ( 0.381 -0.000 -0.438) 0.580 7.287 ( 0.761 -0.000 2.077) 2.212 7.333 ( 0.495 -0.000 0.745) 0.895 7.354 ( 1.695 -0.000 -0.450) 1.754 7.458 ( 1.007 -0.000 2.622) 2.809 7.601 ( 0.753 -0.000 0.927) 1.194 7.726 ( -3.457 0.000 -1.382) 3.723 7.797 ( 2.663 -0.000 -0.082) 2.664 7.879 ( 0.422 -0.000 -0.605) 0.738 8.095 ( 0.810 -0.000 0.488) 0.945 8.572 ( -0.182 0.000 0.496) 0.529 8.802 ( -0.844 0.000 -0.548) 1.006 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 6.948 -16.178 6.094) 18.632 0.598 ( 7.000 -22.170 5.505) 23.891 1.224 ( 24.483 -37.599 9.387) 45.839 1.609 ( -6.558 -3.484 -11.181) 13.422 1.854 ( 0.262 -3.778 -0.297) 3.799 1.991 ( 2.414 -14.421 -4.166) 15.204 2.105 ( 0.117 -7.057 1.066) 7.138 2.198 ( 1.356 -7.238 5.101) 8.958 2.275 ( 5.161 -10.740 2.971) 12.280 2.503 ( 1.012 -10.895 -1.128) 11.000 2.516 ( 1.055 -11.387 -0.575) 11.451 2.638 ( -4.365 -6.810 -4.081) 9.060 2.935 ( -2.328 -4.949 1.653) 5.714 3.325 ( 4.871 -0.355 -2.883) 5.671 3.735 ( -3.098 2.914 -0.507) 4.283 4.191 ( -0.635 0.933 0.895) 1.440 4.782 ( -2.071 1.580 -1.373) 2.945 4.971 ( 0.338 3.094 2.117) 3.764 5.689 ( 0.060 3.228 0.805) 3.328 6.274 ( -0.048 2.541 -1.122) 2.778 6.373 ( -0.611 3.838 -2.213) 4.472 6.919 ( 0.163 -0.316 0.374) 0.516 6.951 ( 0.255 -0.308 -0.412) 0.574 7.152 ( -0.092 -0.810 0.443) 0.927 7.231 ( 0.288 0.185 0.039) 0.344 7.241 ( 0.878 2.239 1.659) 2.922 7.352 ( 0.380 0.033 0.018) 0.382 7.408 ( -1.216 -2.571 0.173) 2.849 7.457 ( 1.963 0.550 1.615) 2.600 7.552 ( 1.161 5.168 1.349) 5.466 7.677 ( -3.013 2.700 -1.063) 4.183 7.768 ( 2.244 3.916 -0.413) 4.532 7.853 ( 0.591 2.857 -0.991) 3.081 8.065 ( 0.901 3.258 0.559) 3.426 8.552 ( -0.121 1.781 0.854) 1.979 8.768 ( -1.061 2.678 -0.783) 2.985 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 3.152 -17.265 5.221) 18.310 1.097 ( -4.207 -25.099 -0.130) 25.449 1.677 ( -6.740 -7.335 -8.664) 13.202 1.943 ( -0.502 -7.103 3.850) 8.095 2.042 ( 10.512 -28.428 5.865) 30.872 2.203 ( 0.559 -6.745 -3.221) 7.496 2.289 ( -0.686 -8.002 -1.440) 8.160 2.437 ( 3.680 -14.552 4.816) 15.764 2.567 ( 0.255 -15.285 -1.269) 15.339 2.677 ( 1.211 -8.693 -2.272) 9.067 2.820 ( -0.079 -14.800 -2.024) 14.938 2.901 ( 3.222 -19.255 0.657) 19.534 3.106 ( -2.079 -13.114 2.915) 13.594 3.368 ( 4.528 -1.864 -3.230) 5.866 3.654 ( -1.202 3.089 -0.737) 3.395 4.190 ( 0.448 -1.625 0.691) 1.821 4.737 ( -1.390 1.591 -0.839) 2.273 4.893 ( 0.252 4.607 1.661) 4.904 5.604 ( -0.211 5.110 -0.084) 5.115 6.201 ( -0.611 4.381 -0.995) 4.534 6.269 ( -0.227 5.970 -1.092) 6.073 6.920 ( 0.282 0.649 0.313) 0.774 6.941 ( -0.042 1.759 -0.344) 1.792 7.146 ( -0.740 4.449 1.075) 4.636 7.158 ( -0.296 1.887 1.538) 2.453 7.257 ( 0.400 -0.075 -1.040) 1.117 7.330 ( 0.518 2.844 -0.057) 2.891 7.374 ( -2.359 4.654 -0.269) 5.224 7.448 ( 1.438 2.813 0.847) 3.270 7.471 ( 1.532 1.620 0.962) 2.429 7.609 ( -1.342 2.755 -0.523) 3.109 7.683 ( 1.136 4.607 0.559) 4.778 7.771 ( 0.327 5.204 -1.557) 5.442 7.990 ( 0.440 4.116 0.318) 4.151 8.514 ( 0.331 1.811 1.058) 2.123 8.693 ( -0.790 3.862 -0.901) 4.044 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.940 -16.665 4.512) 17.290 1.531 ( -8.600 -21.510 -2.612) 23.312 1.796 ( -7.329 -8.397 -4.851) 12.155 2.054 ( -2.661 -5.234 3.787) 6.987 2.273 ( -1.935 -4.518 -2.645) 5.582 2.348 ( -4.447 -0.772 -6.081) 7.573 2.503 ( -3.859 -9.691 3.897) 11.136 2.711 ( -0.479 -10.422 4.042) 11.188 2.745 ( 0.148 -6.462 -1.840) 6.720 3.020 ( 8.012 -15.092 0.652) 17.099 3.142 ( 0.843 -15.669 0.580) 15.702 3.201 ( 0.061 -9.552 5.287) 10.918 3.380 ( 1.997 -7.420 -1.560) 7.840 3.471 ( 4.954 -10.592 -0.973) 11.733 3.678 ( 7.260 -5.911 -0.321) 9.368 4.288 ( 0.837 -7.876 -0.622) 7.945 4.719 ( 0.180 -0.507 0.026) 0.538 4.821 ( 0.374 1.615 0.294) 1.683 5.498 ( -0.551 4.481 -1.036) 4.632 6.105 ( -1.668 4.060 -0.571) 4.426 6.149 ( -0.159 5.162 -0.033) 5.164 6.861 ( -0.843 5.772 0.845) 5.894 6.888 ( 1.011 3.595 -0.832) 3.825 7.021 ( 0.289 6.806 0.913) 6.873 7.105 ( -1.951 3.740 2.018) 4.676 7.185 ( 0.527 7.083 0.371) 7.113 7.252 ( 1.601 4.473 -0.179) 4.754 7.298 ( -3.517 1.436 -1.202) 3.985 7.401 ( 0.548 2.961 0.018) 3.011 7.426 ( -0.319 3.351 -1.607) 3.730 7.548 ( -0.730 1.947 -0.878) 2.257 7.605 ( 0.464 4.851 1.344) 5.055 7.683 ( -0.710 2.320 -0.594) 2.498 7.918 ( -0.078 3.144 0.125) 3.147 8.493 ( 1.008 0.578 0.994) 1.529 8.616 ( -0.054 3.317 -0.814) 3.416 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 0.123 -14.961 4.006) 15.488 1.854 ( -9.662 -14.554 -3.809) 17.879 1.929 ( -8.651 -10.326 -1.901) 13.604 2.124 ( -2.647 -2.870 3.123) 5.000 2.257 ( -11.809 3.123 -10.399) 16.041 2.350 ( -0.907 -2.782 -1.370) 3.232 2.586 ( 1.124 -2.092 3.216) 3.998 2.813 ( -3.289 -2.146 3.773) 5.446 2.854 ( -4.148 -3.492 2.335) 5.903 3.146 ( 2.396 1.428 0.418) 2.820 3.278 ( -1.909 -1.595 2.311) 3.395 3.410 ( 0.869 -5.040 0.905) 5.194 3.519 ( 3.855 -4.902 1.821) 6.497 3.738 ( 9.903 -9.403 -0.485) 13.664 3.874 ( 10.393 -5.053 -0.132) 11.557 4.477 ( 0.493 -9.776 -0.689) 9.813 4.776 ( 1.269 -5.347 -0.450) 5.514 4.878 ( 0.674 -7.202 -0.532) 7.253 5.456 ( -0.104 -1.488 -1.535) 2.140 6.047 ( -2.016 0.018 0.268) 2.034 6.095 ( -0.213 -0.599 -0.001) 0.636 6.724 ( -0.785 6.613 0.949) 6.727 6.787 ( 1.418 6.473 -0.893) 6.686 6.890 ( 0.022 6.523 0.668) 6.558 6.996 ( -0.435 6.512 2.817) 7.108 7.051 ( -0.095 6.171 -0.169) 6.174 7.144 ( -0.199 6.438 0.424) 6.455 7.258 ( -2.647 0.992 -1.733) 3.315 7.323 ( -1.006 4.233 -1.921) 4.756 7.360 ( -1.192 2.244 -0.595) 2.610 7.510 ( 0.436 3.920 0.538) 3.981 7.528 ( -2.473 0.059 -1.201) 2.750 7.642 ( -0.518 2.318 0.591) 2.448 7.865 ( -0.343 2.084 0.082) 2.113 8.499 ( 1.377 -0.250 0.697) 1.564 8.564 ( 0.684 2.041 -0.527) 2.217 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.205 -12.157 2.639) 12.442 1.976 ( -7.014 -4.108 -0.253) 8.132 2.105 ( -6.371 -3.287 -2.590) 7.622 2.125 ( -7.634 0.378 -3.080) 8.241 2.185 ( -8.098 -9.914 -4.789) 13.667 2.396 ( -1.161 -2.605 -2.208) 3.606 2.634 ( 4.227 -0.834 5.504) 6.990 2.813 ( -3.262 0.520 4.534) 5.609 2.854 ( -2.754 0.488 0.779) 2.903 3.106 ( 1.095 2.566 0.841) 2.914 3.267 ( 2.108 2.321 1.663) 3.549 3.379 ( -5.221 5.068 -1.757) 7.485 3.555 ( 2.420 2.500 1.433) 3.763 3.865 ( 9.969 2.749 0.878) 10.378 3.943 ( 6.350 1.048 -0.869) 6.494 4.673 ( 1.192 -8.968 0.947) 9.097 4.918 ( 0.396 -6.976 -1.554) 7.158 5.069 ( 0.239 -10.017 -0.512) 10.033 5.559 ( 0.989 -7.604 -1.161) 7.756 6.095 ( -0.606 -4.910 0.910) 5.030 6.168 ( 0.270 -5.755 -0.513) 5.784 6.612 ( -0.141 4.324 0.475) 4.352 6.682 ( 1.133 3.462 -0.005) 3.643 6.765 ( -0.046 5.550 0.358) 5.562 6.859 ( 0.379 6.567 0.427) 6.592 6.931 ( -0.902 5.883 1.353) 6.104 6.998 ( -2.714 7.307 -0.601) 7.818 7.219 ( -1.082 2.303 -1.061) 2.757 7.260 ( -0.481 0.695 -0.809) 1.170 7.334 ( -1.158 -0.529 -0.300) 1.308 7.437 ( -0.534 3.400 0.507) 3.479 7.520 ( -2.410 -0.371 -0.814) 2.571 7.576 ( -0.095 3.995 -0.099) 3.997 7.830 ( -0.340 1.202 0.058) 1.251 8.512 ( 1.130 -0.208 0.331) 1.196 8.538 ( 0.855 1.077 -0.190) 1.388 ======================= Grid point 20 (14/231) ======================= q-point: ( 0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -1.628 -3.413 -0.447) 3.808 2.031 ( 0.788 -6.747 -0.335) 6.801 2.091 ( -2.931 0.699 2.207) 3.735 2.110 ( -1.338 -0.042 0.270) 1.366 2.379 ( -9.245 -11.639 -9.787) 17.796 2.443 ( -1.554 -3.051 -0.762) 3.508 2.649 ( 3.851 2.414 8.177) 9.355 2.786 ( -1.789 0.726 0.327) 1.958 2.839 ( 3.185 1.017 1.989) 3.890 3.061 ( -2.579 1.985 -0.824) 3.357 3.200 ( 1.431 3.975 1.208) 4.394 3.300 ( -0.829 -1.115 -2.271) 2.663 3.488 ( 0.302 3.732 1.081) 3.897 3.796 ( 4.795 5.986 0.756) 7.707 3.923 ( 1.561 2.732 -0.694) 3.222 4.815 ( 1.562 -3.607 1.441) 4.186 5.014 ( -1.827 -2.611 -2.125) 3.830 5.229 ( 0.860 -4.755 0.448) 4.853 5.695 ( 0.481 -3.755 -0.490) 3.817 6.188 ( 0.067 -3.094 0.535) 3.140 6.269 ( 0.429 -2.736 -0.327) 2.788 6.545 ( 0.513 2.100 0.337) 2.188 6.673 ( -1.392 0.410 -1.824) 2.331 6.701 ( 1.941 -0.582 2.134) 2.942 6.780 ( 0.659 0.413 -0.641) 1.008 6.812 ( -0.989 4.932 0.903) 5.110 6.846 ( -2.147 5.053 -0.568) 5.520 7.181 ( -0.482 0.551 -0.256) 0.775 7.259 ( 0.040 -0.096 -0.554) 0.564 7.368 ( -0.603 -1.615 0.981) 1.984 7.385 ( 0.233 -0.226 -0.392) 0.509 7.481 ( 0.233 4.114 1.150) 4.278 7.529 ( -1.336 -0.597 -1.527) 2.114 7.814 ( -0.154 0.315 0.004) 0.351 8.516 ( 0.441 0.220 0.051) 0.495 8.525 ( 0.315 0.620 0.006) 0.695 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -0.750 7.270 -0.547) 7.329 2.060 ( 3.932 -4.152 0.133) 5.720 2.122 ( -0.007 -1.901 1.090) 2.192 2.171 ( 4.899 -4.457 2.917) 7.237 2.451 ( 0.462 0.276 0.927) 1.072 2.530 ( -3.145 -3.620 -5.921) 7.619 2.599 ( 2.752 4.400 3.523) 6.273 2.735 ( -3.111 1.590 -3.790) 5.154 2.878 ( 6.269 -3.045 1.453) 7.119 3.039 ( -3.287 -2.108 -0.779) 3.982 3.200 ( 1.887 -1.502 1.248) 2.716 3.376 ( 3.737 -5.284 -1.006) 6.550 3.449 ( -3.027 -0.683 -0.155) 3.107 3.719 ( -1.396 2.357 0.493) 2.783 3.865 ( -4.059 2.164 -0.350) 4.613 4.813 ( 1.363 4.746 0.554) 4.969 4.997 ( -3.011 2.769 -1.368) 4.314 5.242 ( 1.613 4.369 1.242) 4.820 5.677 ( -1.170 4.932 0.129) 5.070 6.190 ( 0.505 2.921 -0.522) 3.010 6.256 ( -0.989 3.458 0.558) 3.640 6.549 ( 0.698 -1.967 1.041) 2.332 6.656 ( -1.599 1.050 -2.303) 2.994 6.692 ( 0.264 -0.651 0.472) 0.846 6.771 ( -0.295 -1.306 0.260) 1.364 6.826 ( 0.468 -5.002 -0.785) 5.085 6.895 ( 1.876 -6.656 0.389) 6.926 7.197 ( 1.023 -1.992 1.355) 2.618 7.258 ( 0.163 -0.217 -0.922) 0.961 7.378 ( -0.261 -1.115 -1.165) 1.633 7.396 ( 0.868 1.981 2.038) 2.972 7.482 ( 0.985 -4.534 -1.029) 4.753 7.543 ( -0.301 -1.126 0.730) 1.375 7.816 ( 0.095 -0.587 -0.029) 0.596 8.507 ( -0.339 0.680 -0.067) 0.763 8.517 ( -0.374 0.052 0.018) 0.378 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.250 12.004 -1.242) 12.071 2.079 ( 3.147 2.853 -1.047) 4.375 2.165 ( 1.174 -0.291 -1.177) 1.688 2.321 ( 7.008 -4.585 7.093) 10.975 2.410 ( 8.078 12.848 6.220) 16.401 2.442 ( 2.934 1.665 0.458) 3.405 2.574 ( 0.577 -1.634 -1.643) 2.388 2.772 ( -4.915 -5.399 -9.384) 11.890 2.980 ( 8.411 -1.347 -1.616) 8.670 3.079 ( -1.660 -3.212 2.419) 4.351 3.244 ( 1.312 -1.527 -0.249) 2.028 3.449 ( -5.030 -0.767 0.548) 5.118 3.496 ( 1.283 -2.475 -3.177) 4.227 3.672 ( -5.037 1.347 0.004) 5.214 3.794 ( -7.869 2.304 0.769) 8.236 4.665 ( 0.360 9.383 0.072) 9.391 4.882 ( -2.259 6.637 -0.433) 7.024 5.086 ( 0.982 11.178 1.167) 11.282 5.540 ( -0.932 6.539 0.689) 6.641 6.115 ( 1.380 3.879 -0.761) 4.186 6.156 ( -1.010 4.863 0.573) 4.999 6.619 ( 0.386 -4.519 0.232) 4.542 6.666 ( -0.327 -3.593 -0.380) 3.628 6.767 ( 0.160 -5.542 -0.166) 5.547 6.855 ( 0.081 -6.511 -0.504) 6.531 6.939 ( 0.154 -5.604 -0.728) 5.653 7.029 ( 0.437 -5.695 -0.321) 5.721 7.267 ( 2.586 -3.540 2.949) 5.284 7.281 ( 1.152 -1.707 -0.487) 2.116 7.364 ( 1.186 0.397 0.267) 1.279 7.429 ( -1.138 -3.026 -1.053) 3.400 7.556 ( 1.023 -0.907 -0.404) 1.425 7.587 ( 0.671 -3.893 0.965) 4.067 7.836 ( 0.237 -1.309 -0.029) 1.331 8.489 ( -0.810 0.734 -0.224) 1.116 8.522 ( -0.576 -0.957 0.129) 1.125 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.204 15.489 -1.144) 15.532 2.006 ( 3.215 6.162 0.528) 6.971 2.118 ( 6.551 13.233 0.670) 14.781 2.156 ( 1.429 7.651 0.353) 7.791 2.365 ( 0.486 1.038 0.838) 1.419 2.440 ( 2.499 2.382 1.956) 3.968 2.652 ( 6.320 -2.207 6.523) 9.347 2.821 ( -1.232 -0.838 -7.125) 7.279 2.956 ( 6.519 8.467 -4.206) 11.483 3.109 ( -4.755 3.299 2.915) 6.480 3.245 ( -1.271 2.185 -2.347) 3.449 3.400 ( -2.864 3.552 1.187) 4.715 3.431 ( 1.355 5.418 -2.332) 6.052 3.599 ( -4.639 4.147 -0.458) 6.239 3.657 ( -7.663 8.411 0.728) 11.402 4.476 ( 0.098 9.809 0.399) 9.818 4.752 ( -0.802 4.341 0.076) 4.415 4.873 ( -0.108 8.038 0.367) 8.047 5.460 ( -0.046 0.639 0.683) 0.936 6.082 ( 1.265 -0.293 -0.400) 1.359 6.096 ( -0.267 0.213 0.308) 0.460 6.736 ( 0.412 -6.831 -0.332) 6.851 6.774 ( -0.164 -6.369 0.431) 6.385 6.891 ( 0.267 -6.388 -0.348) 6.403 7.006 ( 0.821 -7.927 -1.572) 8.123 7.050 ( -0.269 -5.733 0.450) 5.757 7.131 ( -0.552 -4.843 -0.209) 4.879 7.323 ( 1.991 -1.501 -0.147) 2.498 7.346 ( 0.612 -2.627 1.876) 3.286 7.387 ( 0.987 -1.925 0.670) 2.265 7.491 ( -0.910 -4.182 -0.749) 4.345 7.564 ( 0.751 0.282 0.040) 0.803 7.659 ( 0.960 -2.585 0.139) 2.761 7.870 ( 0.171 -1.982 -0.031) 1.990 8.473 ( -0.704 0.254 -0.295) 0.804 8.554 ( -0.316 -2.505 0.224) 2.534 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.546 18.158 -0.840) 18.185 1.731 ( 5.142 23.258 1.605) 23.874 1.904 ( 1.760 7.087 1.472) 7.449 2.065 ( -0.191 5.260 -1.793) 5.560 2.296 ( 0.572 6.258 0.240) 6.288 2.394 ( 0.291 2.778 0.552) 2.847 2.561 ( -0.480 26.339 -0.812) 26.356 2.707 ( 1.992 8.992 2.516) 9.548 2.737 ( -1.400 4.957 -2.693) 5.812 2.885 ( -2.824 14.192 0.006) 14.471 3.103 ( -0.474 11.365 -0.623) 11.392 3.229 ( 0.764 13.859 -0.416) 13.887 3.378 ( 0.810 9.630 -0.024) 9.664 3.408 ( -1.159 8.893 0.330) 8.974 3.547 ( -3.370 -5.190 0.027) 6.188 4.277 ( -0.218 8.501 0.146) 8.505 4.716 ( -0.069 -0.540 -0.009) 0.544 4.817 ( -0.016 -1.751 -0.042) 1.752 5.505 ( -0.024 -4.267 0.221) 4.272 6.127 ( 0.361 -3.541 0.111) 3.561 6.151 ( 0.028 -5.132 0.062) 5.132 6.870 ( 0.127 -5.573 -0.179) 5.577 6.879 ( -0.088 -3.535 0.221) 3.543 7.027 ( 0.572 -7.030 -0.264) 7.059 7.147 ( 1.671 -3.963 -0.894) 4.393 7.173 ( -0.665 -7.336 0.317) 7.373 7.221 ( -0.794 -4.475 0.060) 4.546 7.361 ( 2.240 -1.306 0.148) 2.597 7.381 ( -1.527 -1.860 0.054) 2.407 7.436 ( 0.092 -1.983 0.473) 2.041 7.563 ( 0.272 -1.099 0.654) 1.308 7.591 ( -0.216 -5.199 -1.034) 5.305 7.707 ( 0.842 -2.131 0.377) 2.322 7.919 ( 0.052 -2.874 -0.035) 2.875 8.476 ( -0.298 -0.928 -0.225) 1.000 8.619 ( 0.021 -3.945 0.194) 3.950 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 19.679 -0.000) 19.679 1.231 ( 0.000 27.958 -0.000) 27.958 1.774 ( 0.000 6.301 -0.000) 6.301 1.789 ( 0.000 35.887 -0.000) 35.887 1.984 ( 0.000 10.707 -0.000) 10.707 2.190 ( 0.000 5.639 -0.000) 5.639 2.330 ( 0.000 4.894 -0.000) 4.894 2.371 ( 0.000 20.843 -0.000) 20.843 2.543 ( 0.000 18.432 -0.000) 18.432 2.686 ( 0.000 4.965 -0.000) 4.965 2.836 ( 0.000 12.411 -0.000) 12.411 2.851 ( 0.000 20.565 -0.000) 20.565 3.147 ( 0.000 12.403 -0.000) 12.403 3.303 ( 0.000 2.660 -0.000) 2.660 3.665 ( -0.000 -5.686 0.000) 5.686 4.184 ( 0.000 1.012 -0.000) 1.012 4.751 ( -0.000 -2.439 0.000) 2.439 4.889 ( -0.000 -4.390 0.000) 4.390 5.599 ( -0.000 -4.581 0.000) 4.581 6.209 ( -0.000 -4.035 0.000) 4.035 6.272 ( -0.000 -6.252 0.000) 6.252 6.917 ( -0.000 -0.641 0.000) 0.641 6.941 ( -0.000 -1.580 0.000) 1.580 7.156 ( -0.000 -4.254 0.000) 4.254 7.185 ( -0.000 -1.015 0.000) 1.015 7.247 ( -0.000 -0.179 0.000) 0.179 7.323 ( -0.000 -3.785 0.000) 3.785 7.410 ( -0.000 -4.410 0.000) 4.410 7.443 ( -0.000 -3.597 0.000) 3.597 7.447 ( -0.000 -0.102 0.000) 0.102 7.631 ( -0.000 -5.127 0.000) 5.127 7.673 ( -0.000 -2.935 0.000) 2.935 7.775 ( -0.000 -4.287 0.000) 4.287 7.986 ( -0.000 -3.720 0.000) 3.720 8.507 ( -0.000 -2.135 0.000) 2.135 8.704 ( -0.000 -4.251 0.000) 4.251 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 18.372 -0.000 8.297) 20.158 0.642 ( 28.554 -0.000 6.508) 29.286 0.795 ( 33.880 -0.000 20.229) 39.460 1.527 ( -8.328 0.000 -15.437) 17.540 1.795 ( 1.763 -0.000 -5.329) 5.613 1.890 ( 6.550 -0.000 0.963) 6.621 1.988 ( -1.982 0.000 1.090) 2.262 2.162 ( 4.597 -0.000 2.049) 5.033 2.185 ( 3.564 -0.000 5.084) 6.209 2.356 ( 1.258 -0.000 0.737) 1.458 2.439 ( 2.117 -0.000 -0.155) 2.123 2.524 ( -7.608 0.000 -6.055) 9.723 2.884 ( -1.765 0.000 0.984) 2.021 3.344 ( 4.700 -0.000 -4.282) 6.358 3.743 ( -4.967 0.000 -0.345) 4.978 4.198 ( -1.124 0.000 1.132) 1.596 4.783 ( -3.157 0.000 -1.874) 3.671 5.007 ( 0.364 -0.000 2.818) 2.842 5.722 ( -0.515 0.000 1.045) 1.165 6.300 ( 0.102 -0.000 -1.618) 1.621 6.405 ( -1.165 0.000 -3.147) 3.355 6.916 ( 0.163 -0.000 0.540) 0.564 6.947 ( 0.505 -0.000 -0.443) 0.672 7.147 ( 0.908 -0.000 0.601) 1.089 7.223 ( 0.871 -0.000 -0.588) 1.051 7.303 ( 1.463 -0.000 3.525) 3.816 7.342 ( 1.116 -0.000 0.518) 1.231 7.377 ( 2.713 -0.000 -0.149) 2.717 7.476 ( 1.620 -0.000 1.845) 2.455 7.614 ( 1.161 -0.000 1.405) 1.823 7.690 ( -2.865 0.000 -1.404) 3.191 7.820 ( 1.963 -0.000 -0.844) 2.137 7.884 ( 0.806 -0.000 -1.229) 1.469 8.108 ( 1.453 -0.000 0.927) 1.723 8.570 ( -0.352 0.000 1.128) 1.182 8.788 ( -1.508 0.000 -1.026) 1.824 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 12.154 -8.244 5.168) 15.569 0.747 ( 17.036 -9.887 11.594) 22.856 1.490 ( 22.760 -31.060 10.496) 39.911 1.511 ( -7.732 -5.296 -13.206) 16.194 1.858 ( 0.812 -2.785 -1.622) 3.324 2.004 ( 1.390 -10.528 -5.508) 11.963 2.118 ( 2.047 -11.127 1.878) 11.468 2.222 ( 1.230 -5.480 4.652) 7.293 2.333 ( 4.776 -9.523 3.762) 11.298 2.494 ( -2.235 -6.307 -4.518) 8.073 2.535 ( 2.704 -14.700 -1.381) 15.011 2.597 ( -1.388 -10.414 -2.310) 10.757 2.914 ( -2.061 -4.566 1.645) 5.273 3.368 ( 4.447 -0.464 -4.705) 6.490 3.692 ( -5.008 2.102 -0.463) 5.451 4.186 ( -0.561 0.486 1.290) 1.488 4.752 ( -3.074 1.058 -1.687) 3.662 4.978 ( 0.316 3.160 2.793) 4.229 5.688 ( -0.424 3.126 0.637) 3.218 6.271 ( -0.070 2.695 -1.686) 3.180 6.362 ( -0.875 3.422 -2.569) 4.368 6.922 ( 0.228 -0.348 0.544) 0.685 6.953 ( 0.301 -0.132 -0.506) 0.604 7.154 ( 0.239 -0.049 0.595) 0.643 7.238 ( 0.864 -0.587 -0.611) 1.210 7.260 ( 1.905 3.686 3.039) 5.143 7.358 ( 0.809 0.248 0.088) 0.851 7.407 ( 0.574 -0.362 -0.077) 0.683 7.480 ( 1.857 0.277 1.258) 2.260 7.568 ( 1.222 4.742 1.809) 5.221 7.650 ( -1.515 2.364 -0.608) 2.873 7.787 ( 1.519 3.991 -0.881) 4.361 7.859 ( 0.870 2.935 -1.561) 3.436 8.078 ( 1.317 3.592 0.844) 3.918 8.552 ( -0.209 1.600 1.341) 2.098 8.753 ( -1.512 2.486 -1.181) 3.140 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 2.781 -15.554 5.837) 16.844 1.106 ( 5.128 -17.758 4.244) 18.964 1.583 ( -8.549 -7.799 -9.729) 15.118 1.928 ( -2.132 -5.074 1.880) 5.816 2.143 ( 6.340 -19.939 6.900) 22.031 2.174 ( -5.045 -7.519 -9.196) 12.906 2.295 ( 1.181 -5.538 4.400) 7.171 2.491 ( 3.698 -11.469 3.401) 12.522 2.564 ( 2.080 -16.201 -4.461) 16.932 2.705 ( 4.516 -13.969 -0.098) 14.681 2.821 ( 0.664 -15.758 -1.623) 15.855 2.930 ( 1.673 -16.879 1.642) 17.041 3.106 ( 1.790 -15.709 2.215) 15.965 3.406 ( 3.785 -1.607 -3.646) 5.496 3.636 ( -2.134 0.149 -0.909) 2.324 4.196 ( 0.569 -2.058 0.741) 2.260 4.718 ( -1.812 0.618 -0.954) 2.139 4.899 ( 0.303 4.722 2.005) 5.139 5.599 ( -0.581 5.255 -0.235) 5.293 6.192 ( -0.813 4.786 -1.313) 5.029 6.264 ( -0.322 5.653 -1.099) 5.768 6.924 ( 0.376 0.736 0.532) 0.983 6.940 ( 0.007 1.758 -0.447) 1.814 7.136 ( -1.152 2.411 0.685) 2.758 7.172 ( 1.850 5.309 2.513) 6.158 7.255 ( -0.412 -0.013 -1.402) 1.461 7.335 ( 0.452 2.487 -0.247) 2.540 7.354 ( -1.455 5.140 -0.482) 5.364 7.467 ( 1.718 2.843 1.024) 3.476 7.486 ( 1.081 3.221 1.190) 3.600 7.601 ( 0.050 2.149 -0.413) 2.188 7.693 ( 0.633 4.997 0.456) 5.057 7.773 ( 0.550 5.649 -1.824) 5.962 7.996 ( 0.561 4.548 0.412) 4.601 8.519 ( 0.355 1.474 1.389) 2.056 8.683 ( -0.966 3.451 -1.176) 3.772 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.270 -16.107 5.954) 17.174 1.471 ( -2.133 -17.306 -0.244) 17.439 1.702 ( -9.144 -8.992 -5.566) 13.981 2.027 ( -3.592 -5.460 2.839) 7.125 2.196 ( -10.892 -1.520 -11.045) 15.586 2.317 ( 0.109 -1.101 -0.301) 1.147 2.491 ( -0.430 -8.903 6.418) 10.983 2.696 ( -2.686 -8.115 1.684) 8.712 2.752 ( 1.274 -5.413 -1.204) 5.690 3.096 ( 6.373 -11.684 0.709) 13.328 3.122 ( -3.582 -11.964 -0.163) 12.490 3.237 ( 3.308 -13.802 6.317) 15.536 3.407 ( 3.673 -7.323 -1.400) 8.312 3.530 ( 6.675 -12.724 -1.072) 14.409 3.747 ( 5.923 -10.488 -0.584) 12.059 4.295 ( 0.678 -7.551 -0.677) 7.612 4.721 ( 0.180 -1.525 0.008) 1.535 4.826 ( 0.498 1.608 0.411) 1.733 5.490 ( -0.733 4.486 -1.162) 4.691 6.085 ( -1.935 4.458 -0.689) 4.908 6.147 ( -0.131 5.143 0.071) 5.145 6.854 ( -0.701 5.923 0.867) 6.027 6.899 ( 1.319 3.372 -0.773) 3.703 7.026 ( 0.241 6.879 0.942) 6.947 7.094 ( -0.685 3.862 2.144) 4.470 7.192 ( 0.543 6.974 0.431) 7.008 7.259 ( -3.489 2.840 -1.231) 4.664 7.266 ( 1.026 3.361 -0.495) 3.549 7.405 ( 0.214 3.994 -0.272) 4.009 7.423 ( 0.196 3.856 -0.786) 3.940 7.538 ( -1.086 2.928 -1.129) 3.320 7.612 ( 0.641 5.099 0.490) 5.163 7.676 ( -0.503 2.347 0.000) 2.400 7.917 ( -0.085 3.372 0.142) 3.376 8.506 ( 1.024 0.313 1.143) 1.567 8.614 ( -0.067 2.826 -0.945) 2.981 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.265 -14.887 5.126) 15.747 1.763 ( -6.015 -13.563 -3.332) 15.206 1.835 ( -8.992 -9.635 -2.048) 13.337 2.096 ( -4.690 -2.939 2.559) 6.097 2.113 ( -11.014 1.668 -9.969) 14.949 2.344 ( 0.084 -1.745 -0.892) 1.962 2.612 ( 2.423 -3.648 4.089) 5.991 2.780 ( -3.674 -2.351 3.090) 5.345 2.825 ( -1.870 -1.948 0.364) 2.725 3.176 ( 2.860 2.192 2.150) 4.196 3.256 ( -2.311 -3.826 0.392) 4.487 3.408 ( -1.704 -1.810 1.017) 2.686 3.558 ( 3.344 -4.486 1.000) 5.684 3.841 ( 9.562 -10.223 0.228) 14.000 3.970 ( 7.980 -4.788 -0.305) 9.311 4.483 ( 0.728 -10.208 -0.553) 10.249 4.787 ( 0.889 -5.100 -0.659) 5.219 4.886 ( 0.885 -7.177 -0.322) 7.238 5.452 ( -0.167 -2.038 -1.475) 2.521 6.027 ( -1.820 -0.546 0.211) 1.912 6.093 ( -0.264 -0.571 0.097) 0.637 6.718 ( -0.549 6.472 0.953) 6.565 6.803 ( 1.768 6.486 -0.881) 6.780 6.891 ( -0.051 6.706 0.863) 6.762 6.999 ( 0.243 5.927 2.547) 6.456 7.050 ( -0.220 6.763 0.088) 6.767 7.130 ( -2.463 7.127 -0.508) 7.557 7.241 ( -0.266 0.537 -0.837) 1.029 7.309 ( -1.005 4.635 -1.790) 5.070 7.350 ( -0.446 2.654 -0.340) 2.713 7.497 ( -3.022 0.313 -1.612) 3.440 7.513 ( 0.051 4.278 0.265) 4.287 7.639 ( -0.241 2.218 0.752) 2.354 7.861 ( -0.319 2.142 0.089) 2.167 8.514 ( 1.256 -0.247 0.703) 1.460 8.570 ( 0.638 1.749 -0.544) 1.939 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.705 -11.763 2.863) 12.127 1.903 ( -6.145 -5.713 -1.656) 8.552 2.017 ( -7.975 -9.646 -4.645) 13.350 2.050 ( -5.891 -3.359 -2.114) 7.103 2.129 ( -3.225 -2.643 -0.136) 4.171 2.384 ( -0.500 -2.517 -1.839) 3.157 2.688 ( 4.233 -1.687 5.027) 6.785 2.784 ( -2.742 0.028 2.766) 3.895 2.836 ( -1.162 -0.824 0.110) 1.429 3.115 ( 0.084 4.425 1.709) 4.744 3.285 ( 0.528 -0.335 -0.579) 0.852 3.328 ( -3.590 6.384 -0.216) 7.327 3.579 ( 1.912 3.477 0.787) 4.046 3.958 ( 7.504 3.741 0.631) 8.408 3.999 ( 4.566 2.878 -0.598) 5.430 4.691 ( 1.886 -9.281 1.437) 9.579 4.909 ( -1.326 -6.112 -2.567) 6.761 5.076 ( 1.040 -9.906 0.222) 9.962 5.566 ( 0.643 -7.961 -1.022) 8.052 6.093 ( -0.103 -5.565 0.841) 5.629 6.169 ( -0.017 -6.113 -0.439) 6.129 6.613 ( 0.083 3.949 0.745) 4.019 6.693 ( 0.967 4.096 -0.557) 4.245 6.767 ( 0.274 5.170 0.823) 5.242 6.864 ( 0.503 6.984 -0.059) 7.002 6.923 ( -1.054 5.928 1.527) 6.212 6.966 ( -2.928 7.481 -1.151) 8.116 7.208 ( -0.780 2.554 -0.352) 2.694 7.256 ( -0.156 0.079 -1.088) 1.102 7.329 ( 0.386 -0.854 0.532) 1.078 7.431 ( -0.724 3.573 0.192) 3.651 7.491 ( -2.933 -0.958 -1.302) 3.349 7.576 ( 0.084 3.991 0.199) 3.997 7.827 ( -0.279 1.161 0.053) 1.195 8.523 ( 0.912 0.047 0.271) 0.953 8.546 ( 0.704 1.144 -0.156) 1.352 ======================= Grid point 34 (26/231) ======================= q-point: ( 0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.566 -6.578 0.108) 6.603 2.037 ( 0.336 -7.135 -0.601) 7.168 2.069 ( -2.081 0.908 2.550) 3.414 2.098 ( -1.139 -3.700 1.721) 4.236 2.266 ( -8.811 -12.314 -8.690) 17.458 2.433 ( -0.503 -2.387 -0.903) 2.602 2.705 ( 4.152 3.061 7.115) 8.788 2.778 ( 0.456 0.253 0.534) 0.747 2.863 ( 1.424 -1.599 0.129) 2.145 3.012 ( -6.035 3.040 -2.263) 7.126 3.217 ( 1.272 2.260 2.399) 3.533 3.307 ( 2.311 -1.698 -2.332) 3.696 3.488 ( -0.579 4.715 0.877) 4.831 3.844 ( 4.046 8.111 0.861) 9.105 3.932 ( 0.323 5.181 -0.865) 5.262 4.842 ( 2.891 -3.498 2.374) 5.122 4.980 ( -3.561 -2.185 -3.223) 5.277 5.242 ( 1.238 -5.015 0.755) 5.221 5.697 ( 0.101 -3.162 -0.447) 3.195 6.190 ( 0.088 -2.930 0.359) 2.954 6.273 ( 0.251 -2.465 -0.120) 2.481 6.555 ( 1.058 1.903 0.978) 2.387 6.653 ( -1.876 0.583 -2.169) 2.926 6.724 ( 1.786 1.081 1.786) 2.747 6.784 ( 0.096 -0.570 -1.094) 1.238 6.804 ( -0.687 4.943 0.638) 5.031 6.828 ( -1.239 3.137 -0.079) 3.374 7.177 ( -0.221 -0.032 0.090) 0.241 7.256 ( -0.387 -0.059 -1.047) 1.118 7.363 ( -0.619 0.295 0.687) 0.970 7.395 ( 1.676 -2.598 0.792) 3.191 7.485 ( 0.147 3.630 1.086) 3.792 7.509 ( -1.809 -0.992 -1.916) 2.815 7.812 ( -0.124 0.217 -0.005) 0.250 8.520 ( 0.348 0.524 0.028) 0.630 8.527 ( 0.172 0.980 0.013) 0.995 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -0.781 7.161 -0.282) 7.209 2.095 ( 2.688 -3.848 -1.345) 4.883 2.122 ( -0.320 -2.999 1.029) 3.187 2.240 ( 6.844 -7.679 6.711) 12.281 2.448 ( -4.317 -7.695 -5.927) 10.629 2.461 ( -3.205 -3.004 -3.075) 5.362 2.640 ( 3.029 5.135 6.297) 8.671 2.707 ( -1.637 5.399 -4.583) 7.268 2.941 ( 4.628 -5.012 1.984) 7.104 3.005 ( -2.436 -3.508 -1.338) 4.476 3.230 ( 3.351 -0.802 2.165) 4.069 3.377 ( -2.980 -3.744 -4.217) 6.378 3.436 ( 0.729 -1.308 1.879) 2.402 3.723 ( 1.834 5.081 1.224) 5.539 3.818 ( -4.553 4.412 -0.949) 6.410 4.833 ( 1.988 5.857 1.012) 6.267 4.961 ( -3.097 2.053 -1.611) 4.050 5.259 ( 1.225 4.329 0.895) 4.587 5.666 ( -0.833 5.280 0.003) 5.345 6.196 ( 0.639 2.460 -0.356) 2.566 6.247 ( -0.928 3.984 0.407) 4.111 6.559 ( 0.776 -1.624 1.094) 2.106 6.639 ( -1.101 0.389 -1.709) 2.070 6.694 ( 0.104 -0.756 0.145) 0.777 6.769 ( -0.120 -1.439 0.131) 1.450 6.828 ( 0.185 -5.018 -0.463) 5.043 6.910 ( 0.896 -6.482 0.127) 6.544 7.212 ( 1.241 -3.010 1.551) 3.607 7.257 ( -0.041 -0.686 -1.192) 1.376 7.370 ( -0.691 -1.676 -0.743) 1.960 7.407 ( 0.604 2.880 1.323) 3.226 7.494 ( 1.454 -4.616 -0.661) 4.884 7.537 ( -0.888 -1.921 0.427) 2.159 7.817 ( 0.046 -0.696 -0.021) 0.698 8.504 ( -0.184 1.053 -0.044) 1.070 8.514 ( -0.229 0.226 0.017) 0.322 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -0.117 11.852 -0.423) 11.860 2.101 ( 1.116 2.583 -0.350) 2.836 2.171 ( 0.269 -0.715 -0.487) 0.906 2.375 ( 2.009 -0.255 2.567) 3.270 2.469 ( 1.629 -0.866 1.322) 2.270 2.477 ( 2.866 12.922 1.167) 13.287 2.608 ( 5.548 -6.662 4.899) 9.958 2.693 ( -7.100 -6.386 -9.077) 13.175 3.051 ( 4.432 -1.048 -4.099) 6.127 3.071 ( -0.476 -3.821 4.728) 6.098 3.276 ( 5.019 -1.282 0.934) 5.264 3.363 ( -8.996 0.063 -1.717) 9.159 3.510 ( 0.876 -0.783 -0.713) 1.374 3.663 ( 2.908 2.751 0.114) 4.005 3.717 ( -6.788 2.775 0.386) 7.344 4.669 ( 0.285 9.759 0.102) 9.764 4.863 ( -0.978 6.102 -0.256) 6.185 5.095 ( 0.413 11.634 0.454) 11.650 5.534 ( -0.364 6.176 0.241) 6.192 6.127 ( 1.107 3.734 -0.537) 3.932 6.146 ( -0.968 4.532 0.474) 4.659 6.622 ( 0.178 -4.412 0.158) 4.419 6.663 ( -0.079 -3.839 -0.182) 3.844 6.768 ( 0.083 -5.562 -0.076) 5.563 6.855 ( 0.062 -6.594 -0.190) 6.597 6.939 ( 0.007 -5.507 -0.259) 5.513 7.031 ( 0.069 -5.292 -0.144) 5.294 7.286 ( 0.358 -2.406 1.002) 2.631 7.296 ( 1.446 -3.406 0.151) 3.704 7.374 ( 0.601 0.350 0.045) 0.697 7.415 ( -0.962 -2.937 -0.588) 3.146 7.562 ( 0.371 -0.930 -0.205) 1.022 7.594 ( 0.307 -4.178 0.422) 4.210 7.838 ( 0.087 -1.343 -0.009) 1.345 8.483 ( -0.299 0.878 -0.081) 0.931 8.518 ( -0.208 -0.930 0.047) 0.954 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.000 15.606 -0.000) 15.606 2.022 ( 0.000 5.446 -0.000) 5.446 2.146 ( 0.000 2.943 -0.000) 2.943 2.172 ( 0.000 18.146 -0.000) 18.146 2.367 ( 0.000 1.025 -0.000) 1.025 2.454 ( 0.000 2.838 -0.000) 2.838 2.702 ( -0.000 -1.366 0.000) 1.366 2.799 ( -0.000 -2.853 0.000) 2.853 3.011 ( 0.000 11.749 -0.000) 11.749 3.056 ( 0.000 3.521 -0.000) 3.521 3.245 ( 0.000 4.793 -0.000) 4.793 3.376 ( -0.000 -1.624 0.000) 1.624 3.454 ( 0.000 3.170 -0.000) 3.170 3.559 ( 0.000 7.947 -0.000) 7.947 3.623 ( 0.000 7.625 -0.000) 7.625 4.477 ( 0.000 9.882 -0.000) 9.882 4.748 ( 0.000 4.077 -0.000) 4.077 4.872 ( 0.000 8.211 -0.000) 8.211 5.461 ( 0.000 0.530 -0.000) 0.530 6.091 ( 0.000 0.287 -0.000) 0.287 6.092 ( -0.000 -0.443 0.000) 0.443 6.738 ( -0.000 -6.834 0.000) 6.834 6.774 ( -0.000 -6.369 0.000) 6.369 6.892 ( -0.000 -6.470 0.000) 6.470 7.009 ( -0.000 -8.280 0.000) 8.280 7.049 ( -0.000 -5.642 0.000) 5.642 7.128 ( -0.000 -4.616 0.000) 4.616 7.333 ( -0.000 -1.991 0.000) 1.991 7.352 ( -0.000 -1.658 0.000) 1.658 7.394 ( -0.000 -1.804 0.000) 1.804 7.485 ( -0.000 -4.553 0.000) 4.553 7.567 ( 0.000 0.368 -0.000) 0.368 7.665 ( -0.000 -2.711 0.000) 2.711 7.871 ( -0.000 -1.970 0.000) 1.970 8.469 ( 0.000 0.258 -0.000) 0.258 8.552 ( -0.000 -2.575 0.000) 2.575 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 16.351 -0.000 7.348) 17.926 0.933 ( 25.829 -0.000 6.064) 26.531 1.157 ( 29.107 -0.000 18.374) 34.422 1.420 ( -6.523 0.000 -14.901) 16.266 1.802 ( 1.289 -0.000 -6.789) 6.911 1.964 ( 7.215 -0.000 0.982) 7.281 1.973 ( -1.530 0.000 2.140) 2.631 2.210 ( 4.109 -0.000 1.723) 4.456 2.220 ( 1.622 -0.000 1.450) 2.176 2.374 ( 1.864 -0.000 0.736) 2.004 2.436 ( -6.757 0.000 -6.457) 9.346 2.463 ( 2.391 -0.000 -0.041) 2.391 2.868 ( -1.685 0.000 0.360) 1.723 3.381 ( 3.734 -0.000 -5.557) 6.695 3.683 ( -6.513 0.000 -0.309) 6.520 4.190 ( -0.804 0.000 1.500) 1.702 4.743 ( -3.816 0.000 -1.937) 4.280 5.015 ( 0.176 -0.000 3.099) 3.104 5.718 ( -0.496 0.000 0.941) 1.064 6.298 ( 0.193 -0.000 -2.070) 2.079 6.388 ( -1.238 0.000 -3.194) 3.425 6.918 ( 0.127 -0.000 0.653) 0.665 6.952 ( 0.567 -0.000 -0.518) 0.768 7.158 ( 1.004 -0.000 0.631) 1.186 7.233 ( 1.275 -0.000 -0.461) 1.356 7.327 ( 1.929 -0.000 4.136) 4.563 7.357 ( 1.575 -0.000 0.132) 1.581 7.408 ( 3.032 -0.000 0.140) 3.036 7.493 ( 1.225 -0.000 1.220) 1.729 7.617 ( -1.374 0.000 -0.099) 1.377 7.677 ( 1.048 -0.000 0.991) 1.442 7.835 ( 1.146 -0.000 -1.349) 1.770 7.891 ( 0.947 -0.000 -1.802) 2.036 8.126 ( 1.808 -0.000 1.192) 2.165 8.568 ( -0.427 0.000 1.488) 1.548 8.768 ( -1.840 0.000 -1.347) 2.281 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 12.967 -2.740 4.867) 14.119 0.963 ( 20.329 -2.086 12.766) 24.095 1.404 ( -8.187 -4.433 -13.669) 16.538 1.721 ( 17.056 -24.810 11.466) 32.217 1.867 ( 1.532 -2.292 -2.285) 3.581 1.998 ( -1.074 -5.972 -5.292) 8.051 2.157 ( 5.121 -15.756 1.539) 16.639 2.228 ( -1.324 -5.179 0.714) 5.393 2.374 ( 1.627 -5.053 2.908) 6.052 2.464 ( -0.235 -10.317 -4.740) 11.356 2.561 ( 2.545 -11.739 -1.487) 12.103 2.607 ( 2.957 -14.700 -0.292) 14.997 2.898 ( -1.562 -4.825 0.990) 5.167 3.400 ( 3.039 -0.607 -4.933) 5.826 3.633 ( -6.189 1.222 -0.574) 6.334 4.185 ( -0.127 0.094 1.406) 1.415 4.716 ( -3.309 0.486 -1.579) 3.698 4.985 ( 0.106 3.160 2.761) 4.198 5.684 ( -0.494 3.180 0.578) 3.270 6.268 ( -0.015 2.919 -1.903) 3.485 6.349 ( -0.869 3.026 -2.374) 3.943 6.925 ( 0.244 -0.452 0.607) 0.795 6.956 ( 0.293 0.089 -0.512) 0.596 7.158 ( 0.374 0.624 0.576) 0.928 7.245 ( 0.757 -0.415 -0.682) 1.100 7.288 ( 2.507 4.105 3.537) 5.971 7.369 ( 1.139 0.630 0.029) 1.302 7.414 ( 0.646 1.505 -0.512) 1.716 7.499 ( 1.433 0.123 0.865) 1.678 7.572 ( -0.881 3.251 0.398) 3.392 7.654 ( 2.026 2.920 1.696) 3.938 7.796 ( 0.659 4.021 -1.225) 4.255 7.865 ( 0.863 2.992 -1.943) 3.670 8.094 ( 1.460 4.000 0.961) 4.365 8.552 ( -0.230 1.395 1.549) 2.097 8.734 ( -1.629 2.252 -1.377) 3.102 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 5.435 -12.014 6.452) 14.680 1.202 ( 10.897 -11.095 7.771) 17.385 1.473 ( -9.448 -7.842 -9.644) 15.613 1.911 ( -1.827 -3.572 1.166) 4.178 2.075 ( -10.351 -4.779 -11.300) 16.052 2.205 ( 4.206 -15.205 6.393) 17.022 2.315 ( 0.905 -4.506 4.955) 6.758 2.483 ( -3.370 -10.546 -3.827) 11.714 2.624 ( 7.461 -12.594 -0.052) 14.639 2.767 ( 7.106 -19.743 0.281) 20.984 2.826 ( 0.716 -15.279 -0.758) 15.314 2.940 ( -0.192 -15.239 3.345) 15.603 3.150 ( 5.843 -18.701 0.758) 19.607 3.434 ( 2.777 -1.827 -3.297) 4.682 3.607 ( -3.286 -3.010 -1.004) 4.568 4.203 ( 0.538 -2.271 0.623) 2.416 4.698 ( -1.787 -0.382 -0.843) 2.012 4.905 ( 0.235 4.706 1.882) 5.074 5.592 ( -0.649 5.426 -0.269) 5.471 6.181 ( -0.816 5.287 -1.332) 5.513 6.259 ( -0.309 5.320 -0.892) 5.403 6.929 ( 0.277 1.229 0.703) 1.442 6.941 ( 0.246 1.244 -0.548) 1.382 7.127 ( -0.783 2.753 0.730) 2.954 7.198 ( 2.296 6.244 2.565) 7.131 7.245 ( -0.910 0.535 -1.523) 1.853 7.339 ( 0.271 2.655 -0.593) 2.734 7.341 ( -0.817 5.171 -0.386) 5.250 7.478 ( 0.154 2.773 -0.156) 2.781 7.504 ( 1.949 3.932 2.382) 4.993 7.608 ( 1.273 2.659 -0.309) 2.964 7.696 ( -0.115 5.024 0.164) 5.028 7.776 ( 0.534 5.983 -1.680) 6.238 8.003 ( 0.543 5.034 0.424) 5.081 8.525 ( 0.320 1.128 1.427) 1.847 8.671 ( -0.930 3.010 -1.226) 3.380 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 1.873 -14.829 6.622) 16.348 1.486 ( 4.054 -12.414 2.674) 13.331 1.594 ( -9.722 -9.509 -5.313) 14.600 1.984 ( -6.498 -4.769 -0.912) 8.112 2.054 ( -10.710 -1.120 -9.686) 14.484 2.328 ( 1.421 -0.708 0.861) 1.805 2.505 ( 0.934 -8.900 6.277) 10.931 2.669 ( -2.566 -7.851 -0.459) 8.273 2.765 ( 1.467 -3.677 -0.603) 4.005 3.082 ( -3.840 -10.872 -0.217) 11.533 3.156 ( 5.031 -9.794 0.742) 11.036 3.268 ( 0.791 -12.536 4.076) 13.206 3.444 ( 3.360 -6.593 -0.447) 7.413 3.605 ( 7.798 -15.436 -0.519) 17.301 3.795 ( 3.517 -14.254 -0.763) 14.701 4.300 ( 0.348 -7.316 -0.570) 7.347 4.722 ( 0.130 -2.609 -0.022) 2.612 4.832 ( 0.488 1.644 0.427) 1.767 5.481 ( -0.677 4.466 -1.001) 4.626 6.064 ( -1.709 4.819 -0.620) 5.150 6.147 ( -0.078 5.121 0.117) 5.122 6.849 ( -0.429 6.026 0.721) 6.084 6.912 ( 1.294 3.079 -0.636) 3.400 7.028 ( -0.186 6.565 1.037) 6.649 7.096 ( 0.389 4.475 1.718) 4.810 7.196 ( 0.059 5.881 -0.395) 5.894 7.223 ( -2.606 4.113 -0.728) 4.923 7.274 ( 0.590 3.293 -0.209) 3.352 7.404 ( -0.087 4.629 -0.698) 4.682 7.430 ( 1.076 4.438 0.617) 4.608 7.521 ( -1.663 4.369 -1.684) 4.968 7.620 ( 0.959 5.402 -0.061) 5.487 7.671 ( -0.622 2.130 0.452) 2.265 7.916 ( -0.078 3.585 0.129) 3.588 8.517 ( 0.831 0.074 1.033) 1.328 8.612 ( -0.071 2.358 -0.872) 2.515 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.299 -14.215 4.953) 15.056 1.712 ( -5.881 -9.425 -3.308) 11.591 1.755 ( -2.876 -11.017 0.072) 11.386 1.972 ( -11.125 -1.493 -8.063) 13.820 2.074 ( -2.356 -2.804 1.192) 3.852 2.347 ( 0.474 -0.979 -0.278) 1.123 2.641 ( 1.773 -4.594 3.236) 5.892 2.753 ( -2.276 -2.246 1.902) 3.721 2.814 ( -0.335 -1.182 -0.243) 1.253 3.197 ( -0.538 0.045 3.116) 3.163 3.249 ( 2.175 -2.302 -1.454) 3.485 3.380 ( -3.717 0.006 0.655) 3.775 3.590 ( 2.379 -4.495 0.490) 5.109 3.927 ( 6.660 -9.740 0.519) 11.811 4.036 ( 4.851 -4.890 -0.385) 6.899 4.490 ( 0.658 -10.915 -0.337) 10.940 4.793 ( 0.440 -4.284 -0.617) 4.350 4.894 ( 0.753 -7.489 -0.129) 7.528 5.449 ( -0.156 -2.481 -1.062) 2.704 6.012 ( -1.236 -1.200 0.149) 1.729 6.090 ( -0.208 -0.450 0.110) 0.508 6.715 ( -0.275 6.360 0.718) 6.406 6.819 ( 1.540 6.447 -0.780) 6.675 6.892 ( -0.088 6.792 0.996) 6.865 7.007 ( 0.580 5.360 1.768) 5.674 7.047 ( -0.237 7.672 0.240) 7.679 7.099 ( -2.801 7.041 -1.155) 7.665 7.244 ( 0.553 0.556 0.199) 0.809 7.296 ( -0.983 5.020 -1.595) 5.358 7.353 ( 1.046 2.962 0.225) 3.149 7.462 ( -3.165 0.420 -1.690) 3.613 7.513 ( -0.117 4.813 0.133) 4.817 7.639 ( -0.112 2.105 0.585) 2.188 7.859 ( -0.223 2.185 0.071) 2.198 8.526 ( 0.874 -0.238 0.535) 1.052 8.575 ( 0.446 1.499 -0.424) 1.620 ======================= Grid point 47 (35/231) ======================= q-point: ( 0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -2.459 -10.383 1.241) 10.742 1.857 ( -2.342 -9.684 -0.503) 9.976 1.950 ( -3.140 -8.689 -3.487) 9.875 1.996 ( -4.066 -5.804 -0.608) 7.113 2.105 ( -1.576 -1.501 0.384) 2.210 2.379 ( -0.127 -2.306 -0.989) 2.512 2.725 ( 1.372 -2.360 2.525) 3.719 2.770 ( -0.708 -0.885 1.741) 2.078 2.834 ( 0.858 -1.564 0.210) 1.797 3.111 ( -1.228 7.601 1.089) 7.777 3.269 ( -1.835 2.205 -2.536) 3.829 3.317 ( 0.134 1.306 1.680) 2.132 3.596 ( 1.101 4.322 0.355) 4.474 4.019 ( 4.107 4.130 0.279) 5.831 4.034 ( 2.269 4.225 -0.257) 4.802 4.713 ( 1.706 -10.001 1.308) 10.229 4.889 ( -1.577 -4.865 -2.108) 5.532 5.087 ( 0.799 -9.963 0.293) 9.999 5.569 ( 0.289 -8.146 -0.603) 8.173 6.094 ( 0.109 -6.007 0.534) 6.031 6.167 ( -0.098 -6.389 -0.272) 6.396 6.616 ( 0.154 3.513 0.611) 3.569 6.699 ( 0.361 5.258 -0.737) 5.322 6.773 ( 0.529 4.273 0.951) 4.409 6.868 ( 0.333 7.704 -0.432) 7.724 6.916 ( -0.720 5.755 1.363) 5.958 6.939 ( -1.895 7.325 -1.102) 7.646 7.201 ( -0.470 2.730 -0.061) 2.770 7.251 ( -0.401 0.006 -0.876) 0.964 7.343 ( 1.732 -1.169 1.070) 2.347 7.425 ( -0.383 3.592 -0.001) 3.612 7.458 ( -2.736 -1.321 -1.247) 3.285 7.577 ( 0.075 3.947 0.174) 3.952 7.825 ( -0.157 1.138 0.032) 1.149 8.531 ( 0.506 0.223 0.152) 0.574 8.551 ( 0.395 1.194 -0.088) 1.260 ======================= Grid point 48 (36/231) ======================= q-point: ( 0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 1.326 -9.366 0.339) 9.465 2.034 ( -0.652 -5.621 -0.440) 5.675 2.057 ( -0.738 1.219 0.906) 1.688 2.096 ( 0.057 -9.693 2.428) 9.992 2.185 ( -4.085 -9.019 -4.865) 11.032 2.429 ( -0.150 -2.348 -0.383) 2.384 2.739 ( 0.838 1.286 2.104) 2.605 2.800 ( 2.326 0.786 2.048) 3.198 2.882 ( 3.115 -0.017 -0.030) 3.115 2.940 ( -6.627 1.761 -2.411) 7.268 3.230 ( 0.524 -0.304 1.151) 1.301 3.326 ( 1.441 -0.824 -0.977) 1.926 3.482 ( -0.464 5.640 0.377) 5.672 3.877 ( 1.858 8.445 0.521) 8.662 3.929 ( -0.313 7.199 -0.535) 7.226 4.880 ( 3.328 -4.318 2.683) 6.076 4.936 ( -3.624 -1.075 -3.031) 4.846 5.253 ( 0.533 -5.194 0.331) 5.232 5.697 ( -0.013 -2.795 -0.183) 2.801 6.191 ( 0.031 -2.826 0.123) 2.829 6.274 ( 0.087 -2.257 -0.018) 2.258 6.567 ( 0.795 1.683 0.785) 2.020 6.633 ( -1.137 0.770 -1.247) 1.855 6.742 ( 1.030 3.493 0.988) 3.773 6.778 ( -0.558 -1.325 -0.818) 1.654 6.801 ( -0.085 4.051 0.122) 4.054 6.820 ( -0.326 1.659 0.155) 1.698 7.176 ( -0.005 -0.509 0.120) 0.523 7.250 ( -0.291 -0.104 -0.533) 0.616 7.359 ( -0.263 1.002 0.189) 1.053 7.415 ( 1.395 -3.342 0.830) 3.715 7.484 ( -0.781 -0.707 0.448) 1.145 7.492 ( -0.463 2.818 -1.142) 3.076 7.811 ( -0.047 0.167 -0.003) 0.174 8.523 ( 0.142 0.641 0.008) 0.656 8.528 ( 0.043 1.238 0.007) 1.238 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 7.007 -0.000) 7.007 2.108 ( -0.000 -2.834 0.000) 2.834 2.120 ( -0.000 -3.796 0.000) 3.796 2.308 ( -0.000 -8.498 0.000) 8.498 2.377 ( -0.000 -12.728 0.000) 12.728 2.458 ( -0.000 -0.515 0.000) 0.515 2.678 ( 0.000 6.171 -0.000) 6.171 2.679 ( 0.000 5.540 -0.000) 5.540 2.969 ( -0.000 -6.567 0.000) 6.567 2.990 ( -0.000 -4.206 0.000) 4.206 3.259 ( -0.000 -0.922 0.000) 0.922 3.346 ( -0.000 -0.470 0.000) 0.470 3.444 ( -0.000 -3.055 0.000) 3.055 3.746 ( 0.000 4.920 -0.000) 4.920 3.782 ( 0.000 6.235 -0.000) 6.235 4.847 ( 0.000 6.929 -0.000) 6.929 4.940 ( 0.000 1.115 -0.000) 1.115 5.267 ( 0.000 4.323 -0.000) 4.323 5.662 ( 0.000 5.399 -0.000) 5.399 6.199 ( 0.000 2.104 -0.000) 2.104 6.241 ( 0.000 4.349 -0.000) 4.349 6.565 ( -0.000 -1.388 0.000) 1.388 6.631 ( -0.000 -0.006 0.000) 0.006 6.695 ( -0.000 -0.782 0.000) 0.782 6.769 ( -0.000 -1.492 0.000) 1.492 6.829 ( -0.000 -5.014 0.000) 5.014 6.914 ( -0.000 -6.345 0.000) 6.345 7.221 ( -0.000 -3.633 0.000) 3.633 7.255 ( -0.000 -0.796 0.000) 0.796 7.365 ( -0.000 -1.618 0.000) 1.618 7.411 ( 0.000 3.081 -0.000) 3.081 7.504 ( -0.000 -4.651 0.000) 4.651 7.531 ( -0.000 -2.199 0.000) 2.199 7.817 ( -0.000 -0.737 0.000) 0.737 8.503 ( 0.000 1.200 -0.000) 1.200 8.512 ( 0.000 0.278 -0.000) 0.278 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 13.737 -0.000 6.215) 15.078 1.190 ( 22.120 -0.000 5.437) 22.778 1.281 ( -5.270 0.000 -12.139) 13.234 1.519 ( 24.572 -0.000 16.835) 29.786 1.800 ( 0.385 -0.000 -6.718) 6.729 1.958 ( -2.320 0.000 2.125) 3.147 2.032 ( 4.887 -0.000 1.848) 5.225 2.216 ( -1.334 0.000 -7.420) 7.539 2.251 ( 3.334 -0.000 1.266) 3.567 2.380 ( -2.487 0.000 -2.526) 3.545 2.395 ( 2.064 -0.000 0.545) 2.135 2.487 ( 2.101 -0.000 0.096) 2.103 2.850 ( -1.820 0.000 -0.575) 1.909 3.403 ( 2.174 -0.000 -4.782) 5.253 3.610 ( -7.203 0.000 -0.669) 7.234 4.187 ( -0.110 0.000 1.500) 1.504 4.701 ( -3.636 0.000 -1.618) 3.980 5.020 ( -0.096 0.000 2.680) 2.682 5.715 ( -0.395 0.000 0.870) 0.956 6.298 ( 0.316 -0.000 -2.046) 2.070 6.371 ( -1.056 0.000 -2.641) 2.844 6.920 ( 0.068 -0.000 0.619) 0.623 6.957 ( 0.476 -0.000 -0.474) 0.672 7.169 ( 0.902 -0.000 0.500) 1.032 7.247 ( 1.332 -0.000 -0.246) 1.354 7.354 ( 2.034 -0.000 3.988) 4.476 7.374 ( 1.660 -0.000 -0.095) 1.663 7.438 ( 2.712 -0.000 0.237) 2.722 7.504 ( 0.486 -0.000 0.427) 0.647 7.593 ( -2.496 0.000 -1.144) 2.746 7.706 ( 3.400 -0.000 2.983) 4.523 7.840 ( 0.267 -0.000 -1.659) 1.680 7.897 ( 0.779 -0.000 -2.075) 2.216 8.147 ( 1.774 -0.000 1.169) 2.124 8.566 ( -0.396 0.000 1.517) 1.568 8.747 ( -1.758 0.000 -1.402) 2.248 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 11.194 -0.798 5.296) 12.410 1.181 ( 15.038 0.688 7.296) 16.728 1.316 ( -2.195 -2.377 -7.598) 8.259 1.851 ( 3.083 -13.275 4.686) 14.411 1.884 ( 2.723 -3.319 0.168) 4.296 1.976 ( -0.361 -2.891 -1.739) 3.393 2.185 ( -4.430 -11.491 -5.091) 13.326 2.231 ( 6.566 -13.177 1.089) 14.762 2.392 ( 2.487 -4.845 2.486) 5.986 2.478 ( 2.672 -13.360 -1.274) 13.684 2.582 ( 1.966 -9.335 -0.755) 9.570 2.644 ( 3.900 -17.003 -0.477) 17.451 2.884 ( -1.211 -6.237 -0.023) 6.353 3.417 ( 1.754 -0.805 -3.510) 4.006 3.565 ( -6.460 0.438 -0.936) 6.543 4.188 ( 0.288 -0.088 1.162) 1.201 4.682 ( -2.793 -0.038 -1.188) 3.036 4.989 ( -0.089 3.099 2.157) 3.777 5.680 ( -0.399 3.296 0.487) 3.356 6.266 ( 0.075 3.182 -1.653) 3.586 6.337 ( -0.700 2.714 -1.767) 3.313 6.929 ( 0.208 -0.614 0.537) 0.842 6.958 ( 0.213 0.286 -0.431) 0.560 7.162 ( 0.357 1.131 0.433) 1.263 7.251 ( 0.555 0.275 -0.426) 0.751 7.320 ( 2.593 3.883 3.338) 5.740 7.381 ( 1.075 1.147 0.040) 1.573 7.416 ( -0.090 3.028 -1.160) 3.244 7.513 ( 1.008 0.098 0.609) 1.182 7.559 ( -1.209 1.625 -0.355) 2.056 7.688 ( 3.398 3.561 3.010) 5.769 7.796 ( -0.308 4.072 -1.586) 4.381 7.870 ( 0.629 2.999 -1.864) 3.586 8.109 ( 1.264 4.395 0.835) 4.649 8.552 ( -0.188 1.208 1.394) 1.854 8.716 ( -1.371 2.029 -1.263) 2.756 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 7.886 -9.090 7.470) 14.164 1.315 ( 0.919 -7.950 -2.811) 8.482 1.390 ( 3.506 -5.686 3.593) 7.585 1.878 ( -7.195 -1.281 -3.999) 8.331 1.950 ( -7.666 -3.455 -7.524) 11.283 2.258 ( 4.183 -13.947 6.527) 15.957 2.327 ( 0.308 -4.088 3.084) 5.130 2.434 ( -4.251 -12.018 -5.808) 14.008 2.688 ( 4.790 -6.943 0.723) 8.466 2.814 ( 0.603 -14.854 -2.609) 15.093 2.856 ( 5.770 -19.736 1.189) 20.596 2.941 ( -0.602 -17.033 4.373) 17.596 3.220 ( 7.020 -20.514 -0.042) 21.682 3.455 ( 2.092 -2.607 -2.126) 3.961 3.565 ( -4.455 -5.436 -0.993) 7.098 4.209 ( 0.377 -2.250 0.399) 2.316 4.681 ( -1.317 -1.192 -0.571) 1.866 4.909 ( 0.137 4.596 1.335) 4.788 5.586 ( -0.496 5.593 -0.205) 5.619 6.172 ( -0.596 5.764 -0.990) 5.878 6.255 ( -0.222 5.039 -0.571) 5.076 6.932 ( 0.089 2.058 0.540) 2.129 6.944 ( 0.380 0.295 -0.401) 0.626 7.122 ( -0.423 3.117 0.586) 3.200 7.223 ( 1.514 6.378 2.433) 6.992 7.234 ( -0.382 2.059 -1.539) 2.599 7.331 ( -0.759 3.967 -0.856) 4.128 7.342 ( 0.287 3.580 -0.129) 3.594 7.476 ( -0.343 3.008 -0.275) 3.040 7.528 ( 1.762 3.284 2.072) 4.264 7.623 ( 1.568 4.504 -0.262) 4.776 7.692 ( -0.691 4.476 -0.116) 4.531 7.779 ( 0.362 6.214 -1.156) 6.331 8.008 ( 0.394 5.463 0.322) 5.486 8.530 ( 0.227 0.847 1.099) 1.406 8.661 ( -0.675 2.642 -0.960) 2.891 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 5.563 -12.706 7.088) 15.577 1.468 ( -9.232 -10.326 -7.220) 15.620 1.575 ( 8.170 -8.051 7.546) 13.730 1.855 ( -13.719 -2.618 -10.278) 17.340 1.993 ( -2.142 -3.844 -0.548) 4.434 2.342 ( 0.988 -0.209 0.640) 1.196 2.525 ( 1.158 -8.484 4.427) 9.639 2.644 ( -1.784 -8.634 -1.348) 8.918 2.778 ( 1.189 -2.448 -0.286) 2.736 3.047 ( -2.570 -10.551 -0.125) 10.860 3.202 ( 3.804 -9.851 0.219) 10.562 3.269 ( -1.144 -10.294 2.027) 10.554 3.470 ( 1.705 -5.689 -0.063) 5.939 3.678 ( 5.874 -16.094 0.109) 17.133 3.816 ( 0.899 -17.438 -0.680) 17.474 4.301 ( 0.097 -7.165 -0.325) 7.173 4.723 ( 0.059 -3.445 -0.029) 3.446 4.837 ( 0.311 1.687 0.279) 1.738 5.474 ( -0.406 4.444 -0.580) 4.500 6.049 ( -1.002 5.067 -0.366) 5.178 6.146 ( -0.033 5.100 0.085) 5.101 6.847 ( -0.187 6.075 0.413) 6.091 6.922 ( 0.823 2.832 -0.388) 2.975 7.027 ( -0.177 6.224 0.802) 6.278 7.103 ( 0.485 5.044 0.966) 5.159 7.184 ( -1.473 3.216 -1.489) 3.838 7.212 ( -0.030 7.284 0.637) 7.312 7.278 ( 0.228 2.861 -0.086) 2.871 7.402 ( -0.098 4.796 -0.461) 4.819 7.445 ( 1.571 4.749 1.365) 5.185 7.500 ( -1.909 5.772 -1.934) 6.379 7.630 ( 0.938 6.231 -0.276) 6.307 7.665 ( -0.683 1.406 0.521) 1.648 7.916 ( -0.047 3.734 0.078) 3.735 8.525 ( 0.467 -0.090 0.629) 0.789 8.610 ( -0.050 2.022 -0.540) 2.093 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 3.029 -11.847 3.994) 12.864 1.630 ( -6.636 -10.701 -3.712) 13.127 1.778 ( 4.877 -8.163 3.463) 10.120 1.860 ( -8.294 -4.887 -5.978) 11.332 2.058 ( -0.886 -2.961 0.412) 3.118 2.351 ( 0.244 -0.565 -0.024) 0.616 2.656 ( 0.527 -4.823 1.219) 5.003 2.740 ( -0.726 -2.278 0.597) 2.464 2.814 ( 0.194 -0.998 -0.108) 1.022 3.187 ( -0.981 -2.878 0.887) 3.168 3.287 ( 4.420 0.574 -0.434) 4.478 3.338 ( -4.454 0.713 0.316) 4.522 3.607 ( 0.853 -4.533 0.151) 4.615 3.976 ( 2.393 -9.181 0.268) 9.491 4.069 ( 1.590 -5.053 -0.191) 5.301 4.494 ( 0.267 -11.499 -0.111) 11.503 4.795 ( 0.119 -3.572 -0.253) 3.583 4.900 ( 0.292 -7.772 -0.029) 7.778 5.446 ( -0.064 -2.723 -0.387) 2.751 6.003 ( -0.433 -1.648 0.056) 1.705 6.089 ( -0.078 -0.344 0.047) 0.356 6.714 ( -0.075 6.292 0.269) 6.299 6.830 ( 0.626 6.410 -0.359) 6.451 6.892 ( -0.027 6.814 0.512) 6.833 7.014 ( 0.332 4.728 0.661) 4.785 7.046 ( -0.129 8.631 0.150) 8.633 7.076 ( -1.186 6.923 -0.637) 7.053 7.249 ( 0.290 0.421 0.323) 0.604 7.286 ( -0.509 5.509 -0.779) 5.587 7.369 ( 1.429 3.160 0.497) 3.504 7.431 ( -2.057 0.328 -1.022) 2.320 7.512 ( -0.068 5.132 0.039) 5.133 7.638 ( -0.035 2.029 0.217) 2.041 7.857 ( -0.080 2.208 0.027) 2.210 8.533 ( 0.313 -0.228 0.203) 0.437 8.578 ( 0.159 1.353 -0.163) 1.372 ======================= Grid point 61 (43/231) ======================= q-point: ( 0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.000 -9.876 0.000) 9.876 1.845 ( -0.000 -11.852 0.000) 11.852 1.936 ( -0.000 -6.183 0.000) 6.183 1.971 ( -0.000 -7.876 0.000) 7.876 2.097 ( -0.000 -1.358 0.000) 1.358 2.378 ( -0.000 -2.199 0.000) 2.199 2.731 ( -0.000 -2.124 0.000) 2.124 2.768 ( -0.000 -1.565 0.000) 1.565 2.842 ( -0.000 -2.465 0.000) 2.465 3.103 ( 0.000 9.671 -0.000) 9.671 3.257 ( 0.000 2.653 -0.000) 2.653 3.320 ( -0.000 -0.491 0.000) 0.491 3.602 ( 0.000 4.633 -0.000) 4.633 4.042 ( 0.000 2.516 -0.000) 2.516 4.044 ( 0.000 6.419 -0.000) 6.419 4.724 ( -0.000 -10.545 0.000) 10.545 4.878 ( -0.000 -4.115 0.000) 4.115 5.091 ( -0.000 -9.999 0.000) 9.999 5.570 ( -0.000 -8.199 0.000) 8.199 6.096 ( -0.000 -6.150 0.000) 6.150 6.166 ( -0.000 -6.504 0.000) 6.504 6.617 ( 0.000 3.293 -0.000) 3.293 6.700 ( 0.000 5.880 -0.000) 5.880 6.777 ( 0.000 3.739 -0.000) 3.739 6.869 ( 0.000 8.167 -0.000) 8.167 6.913 ( 0.000 5.523 -0.000) 5.523 6.927 ( 0.000 7.291 -0.000) 7.291 7.199 ( 0.000 2.768 -0.000) 2.768 7.248 ( 0.000 0.019 -0.000) 0.019 7.356 ( -0.000 -1.160 0.000) 1.160 7.423 ( 0.000 3.610 -0.000) 3.610 7.440 ( -0.000 -1.578 0.000) 1.578 7.578 ( 0.000 3.927 -0.000) 3.927 7.824 ( 0.000 1.131 -0.000) 1.131 8.533 ( 0.000 0.286 -0.000) 0.286 8.553 ( 0.000 1.212 -0.000) 1.212 ======================= Grid point 71 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 10.185 -0.000 5.101) 11.391 1.202 ( -5.400 0.000 -10.863) 12.131 1.402 ( 17.172 -0.000 4.561) 17.768 1.783 ( 19.622 -0.000 18.820) 27.188 1.788 ( -1.138 0.000 -5.566) 5.681 1.931 ( -3.228 0.000 1.449) 3.539 2.060 ( -0.097 0.000 0.675) 0.682 2.186 ( -0.619 0.000 -13.311) 13.325 2.282 ( 2.259 -0.000 0.774) 2.388 2.370 ( 0.167 -0.000 0.528) 0.554 2.416 ( 1.628 -0.000 0.293) 1.655 2.505 ( 1.392 -0.000 0.147) 1.400 2.828 ( -1.982 0.000 -1.177) 2.305 3.416 ( 1.563 -0.000 -2.397) 2.861 3.536 ( -6.653 0.000 -1.263) 6.772 4.191 ( 0.333 -0.000 1.071) 1.121 4.666 ( -2.626 0.000 -1.057) 2.831 5.021 ( -0.226 0.000 1.778) 1.792 5.713 ( -0.241 0.000 0.651) 0.694 6.298 ( 0.340 -0.000 -1.506) 1.544 6.358 ( -0.726 0.000 -1.696) 1.845 6.922 ( 0.025 -0.000 0.444) 0.445 6.960 ( 0.298 -0.000 -0.331) 0.446 7.177 ( 0.637 -0.000 0.306) 0.707 7.259 ( 0.986 -0.000 -0.091) 0.990 7.380 ( 1.698 -0.000 3.110) 3.543 7.389 ( 1.269 -0.000 -0.137) 1.276 7.462 ( 1.862 -0.000 0.192) 1.872 7.505 ( -0.161 0.000 -0.338) 0.374 7.569 ( -1.733 0.000 -0.798) 1.908 7.748 ( 3.521 -0.000 3.420) 4.908 7.834 ( -0.733 0.000 -2.031) 2.159 7.901 ( 0.465 -0.000 -1.726) 1.787 8.165 ( 1.305 -0.000 0.847) 1.556 8.565 ( -0.274 0.000 1.156) 1.188 8.729 ( -1.264 0.000 -1.090) 1.669 ======================= Grid point 72 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 9.055 -0.725 6.234) 11.017 1.175 ( -6.588 -2.109 -9.721) 11.931 1.449 ( 18.068 2.740 10.427) 21.040 1.794 ( -10.511 -2.378 -6.697) 12.689 1.922 ( 3.552 0.286 1.457) 3.850 1.996 ( 1.311 -8.065 5.819) 10.031 2.124 ( -4.100 -9.531 -7.737) 12.942 2.287 ( 3.046 -10.349 1.235) 10.858 2.440 ( 5.124 -13.212 2.714) 14.429 2.500 ( 1.609 -13.515 -0.862) 13.638 2.598 ( 1.156 -8.543 -0.266) 8.625 2.677 ( 2.340 -16.245 -0.336) 16.416 2.873 ( -0.797 -9.052 -0.698) 9.114 3.430 ( 1.690 -0.807 -1.079) 2.161 3.501 ( -5.380 -0.113 -1.307) 5.538 4.193 ( 0.325 -0.096 0.640) 0.725 4.657 ( -1.606 -0.409 -0.633) 1.774 4.990 ( -0.122 3.018 1.171) 3.240 5.677 ( -0.217 3.405 0.289) 3.424 6.265 ( 0.091 3.405 -0.963) 3.539 6.329 ( -0.400 2.511 -0.928) 2.707 6.931 ( 0.122 -0.770 0.323) 0.844 6.959 ( 0.104 0.425 -0.255) 0.507 7.166 ( 0.215 1.450 0.227) 1.484 7.255 ( 0.300 0.858 -0.184) 0.927 7.350 ( 2.135 3.201 2.596) 4.641 7.390 ( 0.627 2.162 0.259) 2.266 7.408 ( -0.822 3.748 -1.741) 4.213 7.520 ( 0.320 0.746 0.303) 0.866 7.551 ( -0.381 0.076 -0.234) 0.453 7.727 ( 3.180 3.859 3.124) 5.896 7.785 ( -1.360 4.135 -2.109) 4.837 7.872 ( 0.317 2.971 -1.157) 3.204 8.121 ( 0.736 4.684 0.483) 4.766 8.552 ( -0.102 1.077 0.840) 1.370 8.703 ( -0.784 1.871 -0.773) 2.171 ======================= Grid point 73 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 9.063 -8.000 8.540) 14.801 1.223 ( -9.502 -7.718 -9.610) 15.563 1.540 ( 15.362 -2.199 11.936) 19.578 1.732 ( -15.125 -1.084 -11.533) 19.051 1.918 ( -0.502 -2.074 -0.412) 2.174 2.310 ( 3.599 -13.851 6.828) 15.856 2.331 ( 0.196 -4.745 -0.648) 4.793 2.382 ( -3.802 -11.941 -4.988) 13.488 2.726 ( 2.041 -4.934 0.529) 5.366 2.807 ( -0.671 -12.031 -1.040) 12.095 2.904 ( 2.749 -17.440 -1.086) 17.689 2.942 ( -0.455 -21.224 3.129) 21.458 3.279 ( 3.630 -21.608 -0.122) 21.911 3.476 ( 2.688 -4.081 -0.415) 4.905 3.516 ( -4.467 -5.833 -0.708) 7.381 4.212 ( 0.134 -2.157 0.135) 2.166 4.670 ( -0.487 -1.643 -0.202) 1.725 4.911 ( 0.044 4.495 0.482) 4.521 5.582 ( -0.185 5.699 -0.076) 5.702 6.166 ( -0.217 6.059 -0.365) 6.074 6.253 ( -0.081 4.877 -0.196) 4.881 6.933 ( 0.017 2.464 0.182) 2.471 6.946 ( 0.173 -0.223 -0.128) 0.310 7.119 ( -0.130 3.297 0.228) 3.308 7.225 ( -0.333 2.072 -0.089) 2.100 7.243 ( 0.844 7.795 0.510) 7.857 7.324 ( -0.384 3.102 -0.425) 3.154 7.344 ( 0.113 3.825 -0.055) 3.827 7.473 ( -0.164 3.028 -0.109) 3.034 7.543 ( 0.692 2.571 0.829) 2.789 7.636 ( 0.836 7.043 -0.104) 7.094 7.684 ( -0.539 3.115 -0.119) 3.163 7.780 ( 0.124 6.341 -0.408) 6.355 8.011 ( 0.144 5.715 0.120) 5.718 8.533 ( 0.083 0.690 0.418) 0.812 8.655 ( -0.248 2.433 -0.370) 2.474 ======================= Grid point 74 (47/231) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -0.000 -10.834 0.000) 10.834 1.369 ( -0.000 -11.407 0.000) 11.407 1.680 ( -0.000 -5.254 0.000) 5.254 1.720 ( -0.000 -4.121 0.000) 4.121 1.983 ( -0.000 -3.995 0.000) 3.995 2.348 ( -0.000 -0.047 0.000) 0.047 2.536 ( -0.000 -7.942 0.000) 7.942 2.633 ( -0.000 -9.344 0.000) 9.344 2.785 ( -0.000 -2.001 0.000) 2.001 3.033 ( -0.000 -10.498 0.000) 10.498 3.227 ( -0.000 -11.223 0.000) 11.223 3.260 ( -0.000 -8.237 0.000) 8.237 3.479 ( -0.000 -5.391 0.000) 5.391 3.712 ( -0.000 -15.402 0.000) 15.402 3.818 ( -0.000 -19.253 0.000) 19.253 4.301 ( -0.000 -7.109 0.000) 7.109 4.724 ( -0.000 -3.760 0.000) 3.760 4.839 ( 0.000 1.705 -0.000) 1.705 5.471 ( 0.000 4.435 -0.000) 4.435 6.044 ( 0.000 5.155 -0.000) 5.155 6.146 ( 0.000 5.091 -0.000) 5.091 6.846 ( 0.000 6.087 -0.000) 6.087 6.926 ( 0.000 2.736 -0.000) 2.736 7.027 ( 0.000 6.098 -0.000) 6.098 7.107 ( 0.000 5.248 -0.000) 5.248 7.175 ( 0.000 3.253 -0.000) 3.253 7.213 ( 0.000 7.449 -0.000) 7.449 7.279 ( 0.000 2.690 -0.000) 2.690 7.402 ( 0.000 4.848 -0.000) 4.848 7.459 ( 0.000 3.915 -0.000) 3.915 7.483 ( 0.000 7.219 -0.000) 7.219 7.636 ( 0.000 7.232 -0.000) 7.232 7.661 ( 0.000 0.467 -0.000) 0.467 7.916 ( 0.000 3.787 -0.000) 3.787 8.528 ( -0.000 -0.147 0.000) 0.147 8.610 ( 0.000 1.900 -0.000) 1.900 ======================= Grid point 86 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 4.845 -0.000 3.192) 5.802 1.143 ( -3.061 0.000 -5.339) 6.154 1.547 ( 8.477 -0.000 2.562) 8.856 1.759 ( -2.439 0.000 -2.926) 3.809 1.904 ( -1.665 0.000 0.502) 1.739 1.963 ( 8.864 -0.000 16.127) 18.403 2.045 ( -0.952 0.000 -6.462) 6.532 2.161 ( -1.135 0.000 -7.747) 7.830 2.299 ( 0.810 -0.000 0.261) 0.851 2.374 ( 0.295 -0.000 0.472) 0.556 2.428 ( 0.622 -0.000 0.085) 0.627 2.515 ( 0.479 -0.000 0.070) 0.484 2.810 ( -1.021 0.000 -0.652) 1.211 3.434 ( 2.629 -0.000 0.131) 2.632 3.474 ( -4.801 0.000 -1.378) 4.995 4.195 ( 0.206 -0.000 0.381) 0.433 4.646 ( -0.962 0.000 -0.366) 1.029 5.021 ( -0.115 0.000 0.618) 0.629 5.712 ( -0.078 0.000 0.245) 0.257 6.300 ( 0.154 -0.000 -0.557) 0.578 6.351 ( -0.267 0.000 -0.577) 0.636 6.922 ( 0.005 -0.000 0.162) 0.162 6.962 ( 0.099 -0.000 -0.119) 0.155 7.182 ( 0.232 -0.000 0.102) 0.253 7.266 ( 0.360 -0.000 -0.019) 0.361 7.396 ( 0.724 -0.000 1.270) 1.462 7.398 ( 0.475 -0.000 -0.059) 0.479 7.476 ( 0.661 -0.000 0.072) 0.665 7.501 ( -0.257 0.000 -0.387) 0.464 7.556 ( -0.560 0.000 -0.216) 0.600 7.786 ( 2.703 -0.000 2.997) 4.036 7.818 ( -1.680 0.000 -2.422) 2.947 7.902 ( 0.151 -0.000 -0.677) 0.693 8.175 ( 0.481 -0.000 0.308) 0.572 8.564 ( -0.097 0.000 0.437) 0.447 8.719 ( -0.460 0.000 -0.417) 0.621 ======================= Grid point 87 (49/231) ======================= q-point: ( 0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -0.000 -2.577 0.000) 2.577 1.108 ( 0.000 0.285 -0.000) 0.285 1.626 ( -0.000 -2.948 0.000) 2.948 1.658 ( 0.000 6.077 -0.000) 6.077 1.949 ( 0.000 5.937 -0.000) 5.937 2.003 ( -0.000 -15.106 0.000) 15.106 2.095 ( -0.000 -7.967 0.000) 7.967 2.302 ( -0.000 -7.518 0.000) 7.518 2.475 ( -0.000 -17.158 0.000) 17.158 2.507 ( -0.000 -13.385 0.000) 13.385 2.604 ( -0.000 -8.359 0.000) 8.359 2.689 ( -0.000 -14.936 0.000) 14.936 2.868 ( -0.000 -10.985 0.000) 10.985 3.453 ( -0.000 -0.532 0.000) 0.532 3.456 ( -0.000 -0.497 0.000) 0.497 4.195 ( -0.000 -0.074 0.000) 0.074 4.648 ( -0.000 -0.544 0.000) 0.544 4.990 ( 0.000 2.981 -0.000) 2.981 5.676 ( 0.000 3.449 -0.000) 3.449 6.264 ( 0.000 3.495 -0.000) 3.495 6.326 ( 0.000 2.439 -0.000) 2.439 6.932 ( -0.000 -0.837 0.000) 0.837 6.959 ( 0.000 0.478 -0.000) 0.478 7.167 ( 0.000 1.560 -0.000) 1.560 7.257 ( 0.000 1.076 -0.000) 1.076 7.366 ( 0.000 1.932 -0.000) 1.932 7.394 ( 0.000 6.211 -0.000) 6.211 7.399 ( 0.000 1.292 -0.000) 1.292 7.522 ( 0.000 1.221 -0.000) 1.221 7.549 ( -0.000 -0.670 0.000) 0.670 7.759 ( 0.000 3.592 -0.000) 3.592 7.764 ( 0.000 4.527 -0.000) 4.527 7.873 ( 0.000 2.954 -0.000) 2.954 8.125 ( 0.000 4.790 -0.000) 4.790 8.552 ( 0.000 1.029 -0.000) 1.029 8.698 ( 0.000 1.814 -0.000) 1.814 ======================= Grid point 175 (50/231) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 8.119 -0.000 18.450) 20.157 0.444 ( 6.767 -0.000 20.132) 21.239 0.897 ( 12.100 -0.000 37.637) 39.534 1.414 ( -9.057 0.000 -14.385) 16.999 1.634 ( -2.495 0.000 -11.385) 11.655 1.850 ( -2.492 0.000 -0.515) 2.545 2.050 ( -1.070 0.000 1.389) 1.753 2.150 ( 1.756 -0.000 4.415) 4.752 2.215 ( 4.918 -0.000 6.581) 8.216 2.325 ( 1.094 -0.000 -1.473) 1.835 2.420 ( -0.286 0.000 0.313) 0.424 2.603 ( -7.913 0.000 -3.187) 8.531 2.846 ( 1.575 -0.000 -4.038) 4.334 3.326 ( 2.056 -0.000 2.457) 3.204 3.755 ( -1.850 0.000 -3.032) 3.552 4.247 ( 0.839 -0.000 2.798) 2.921 4.775 ( -0.958 0.000 -2.842) 2.999 5.029 ( 1.850 -0.000 2.440) 3.062 5.675 ( 4.594 -0.000 -3.712) 5.906 6.294 ( -0.910 0.000 -0.428) 1.006 6.423 ( -5.672 0.000 -3.794) 6.824 6.920 ( 0.473 -0.000 0.614) 0.775 6.946 ( -0.549 0.000 0.318) 0.634 7.140 ( 0.717 -0.000 0.475) 0.860 7.203 ( -0.731 0.000 -1.030) 1.263 7.328 ( 2.792 -0.000 3.789) 4.707 7.336 ( 1.419 -0.000 0.569) 1.529 7.355 ( -1.128 0.000 0.679) 1.317 7.484 ( 5.825 -0.000 1.183) 5.944 7.606 ( 1.429 -0.000 0.811) 1.643 7.730 ( -2.623 0.000 -2.035) 3.320 7.787 ( 0.443 -0.000 0.430) 0.617 7.846 ( -0.740 0.000 -2.715) 2.814 8.098 ( 0.618 -0.000 0.542) 0.822 8.573 ( 0.772 -0.000 0.026) 0.772 8.780 ( -0.779 0.000 -2.270) 2.400 ======================= Grid point 176 (51/231) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -1.369 -19.821 11.826) 23.122 0.814 ( 6.203 -15.875 17.672) 24.551 1.303 ( 18.029 -29.999 20.900) 40.765 1.420 ( -7.520 -6.700 -13.196) 16.601 1.804 ( -2.114 -15.785 -8.086) 17.861 1.885 ( -1.100 -4.971 -1.309) 5.257 2.153 ( 0.362 -7.799 2.814) 8.299 2.266 ( 2.778 -9.832 3.691) 10.863 2.322 ( 4.200 -8.526 5.987) 11.233 2.475 ( 0.357 -12.608 -0.922) 12.647 2.510 ( -2.145 -8.886 -0.662) 9.165 2.600 ( -6.109 -4.683 -5.252) 9.319 2.900 ( 0.547 -6.224 -4.026) 7.433 3.339 ( 0.706 -0.905 3.869) 4.036 3.713 ( -1.657 3.049 -3.392) 4.853 4.231 ( 0.020 1.708 2.520) 3.045 4.752 ( -0.878 1.493 -2.648) 3.164 5.005 ( 1.412 3.401 2.237) 4.309 5.652 ( 2.197 3.426 -3.381) 5.291 6.262 ( -1.093 2.434 -0.500) 2.715 6.345 ( -3.027 3.727 -2.162) 5.266 6.926 ( 0.330 -0.095 0.487) 0.596 6.952 ( -0.336 -0.515 0.410) 0.739 7.160 ( 0.375 -1.246 0.423) 1.368 7.214 ( -0.488 -1.121 -1.303) 1.786 7.289 ( 0.892 3.654 2.886) 4.741 7.354 ( -0.025 -0.230 0.376) 0.442 7.417 ( -0.307 -2.949 -0.670) 3.040 7.473 ( 0.897 2.750 0.138) 2.896 7.566 ( 2.119 4.407 1.960) 5.268 7.689 ( -2.934 2.026 -1.441) 3.846 7.746 ( 0.678 3.824 0.333) 3.898 7.813 ( -0.488 2.778 -2.767) 3.951 8.065 ( 0.764 3.493 0.234) 3.584 8.556 ( 0.958 1.971 0.309) 2.213 8.746 ( -0.937 2.674 -2.349) 3.680 ======================= Grid point 177 (52/231) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 3.184 -14.547 14.613) 20.864 1.225 ( -5.087 -22.987 6.597) 24.450 1.571 ( -5.412 -11.791 -7.409) 14.940 1.992 ( -0.679 -15.737 -1.084) 15.789 2.045 ( -0.363 -13.564 -7.592) 15.548 2.120 ( 10.281 -20.318 12.883) 26.163 2.321 ( 3.117 -8.245 2.991) 9.308 2.503 ( -0.489 -10.833 3.180) 11.301 2.568 ( -5.254 -10.079 -1.499) 11.464 2.622 ( 3.144 -11.283 -0.717) 11.735 2.783 ( 0.079 -16.455 -1.469) 16.520 2.870 ( 2.091 -20.574 -0.396) 20.683 3.113 ( 0.184 -14.147 -2.990) 14.460 3.387 ( 0.420 -3.281 5.350) 6.290 3.618 ( -1.232 4.869 -3.524) 6.135 4.204 ( 0.401 0.501 1.164) 1.329 4.711 ( -0.535 1.638 -2.248) 2.832 4.919 ( 0.716 5.484 1.473) 5.723 5.568 ( 0.566 5.157 -3.050) 6.019 6.193 ( -1.018 3.789 -0.508) 3.956 6.246 ( -0.676 5.101 -1.336) 5.316 6.918 ( 0.239 1.336 -0.086) 1.360 6.952 ( -0.220 0.817 1.021) 1.326 7.178 ( -1.233 1.387 0.567) 1.941 7.193 ( 0.534 4.742 2.094) 5.212 7.226 ( -0.091 0.412 -1.722) 1.773 7.333 ( -0.168 2.995 0.339) 3.019 7.386 ( -2.082 4.148 -0.869) 4.722 7.425 ( 1.570 2.660 -1.232) 3.325 7.494 ( 1.597 3.588 2.589) 4.704 7.625 ( -2.086 3.625 0.250) 4.189 7.681 ( 1.350 1.701 0.362) 2.201 7.726 ( -0.801 5.214 -2.905) 6.022 7.985 ( 0.440 4.294 -0.404) 4.336 8.516 ( 1.158 2.242 0.233) 2.534 8.671 ( -0.776 3.898 -2.136) 4.512 ======================= Grid point 178 (53/231) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 2.548 -14.502 12.276) 19.170 1.631 ( -9.053 -20.373 2.110) 22.394 1.788 ( -5.349 -12.370 -2.172) 13.651 2.167 ( -2.564 -5.667 3.127) 6.961 2.189 ( -5.517 -7.437 -7.337) 11.814 2.319 ( -0.767 0.271 -0.147) 0.826 2.578 ( -0.895 -1.530 -0.310) 1.799 2.714 ( 0.868 -14.733 1.759) 14.863 2.822 ( -2.040 -16.054 4.645) 16.836 2.939 ( 6.897 -13.222 0.102) 14.913 3.136 ( 1.998 -16.749 0.419) 16.873 3.269 ( 3.458 -15.283 0.922) 15.696 3.359 ( -1.258 -7.341 0.138) 7.449 3.494 ( 0.490 -7.272 5.653) 9.223 3.566 ( 6.730 -1.972 -3.075) 7.657 4.255 ( 0.888 -6.068 -1.646) 6.349 4.694 ( 0.404 -0.374 -1.858) 1.938 4.824 ( 0.146 3.102 0.289) 3.118 5.462 ( -0.372 4.583 -2.756) 5.361 6.111 ( -1.370 3.198 -0.253) 3.488 6.141 ( -0.070 4.627 -0.647) 4.672 6.861 ( 0.655 4.725 -0.437) 4.790 6.900 ( -0.985 4.612 1.518) 4.955 7.038 ( -0.078 7.530 0.663) 7.560 7.155 ( -0.647 3.333 0.951) 3.526 7.167 ( -0.283 5.807 -1.293) 5.956 7.250 ( 1.296 4.086 1.259) 4.467 7.304 ( -3.124 2.871 -1.528) 4.510 7.365 ( 0.753 3.584 -1.702) 4.038 7.437 ( -0.362 2.852 1.162) 3.101 7.542 ( -0.439 3.128 -0.243) 3.168 7.608 ( -1.184 4.933 -1.654) 5.336 7.682 ( 0.290 -0.027 0.513) 0.589 7.911 ( 0.058 3.071 -0.711) 3.153 8.488 ( 1.336 1.144 -0.098) 1.762 8.592 ( -0.133 3.351 -1.674) 3.749 ======================= Grid point 179 (54/231) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 1.226 -12.930 10.090) 16.447 1.938 ( -9.818 -14.587 0.583) 17.593 1.990 ( -7.558 -11.344 -0.272) 13.634 2.183 ( -8.809 1.007 -5.397) 10.380 2.263 ( -1.487 -1.475 5.447) 5.835 2.329 ( -2.532 -3.139 -2.339) 4.662 2.608 ( 2.775 -1.645 0.969) 3.369 2.866 ( -5.555 -4.735 -0.301) 7.305 2.990 ( -7.520 -1.052 1.625) 7.765 3.092 ( 4.283 -1.099 0.460) 4.445 3.362 ( -2.654 -6.115 -2.800) 7.230 3.421 ( 1.589 0.468 7.616) 7.794 3.580 ( 10.646 -9.874 4.941) 15.338 3.618 ( 1.992 -4.214 -0.681) 4.711 3.733 ( 11.415 -4.590 -2.407) 12.536 4.446 ( 0.618 -11.813 -1.817) 11.968 4.735 ( 1.037 -4.122 -2.036) 4.713 4.860 ( 0.258 -6.994 -0.611) 7.025 5.414 ( -0.167 -1.079 -2.427) 2.662 6.073 ( -1.742 -0.415 0.229) 1.805 6.086 ( 0.063 -0.065 -0.743) 0.748 6.742 ( 0.818 6.966 0.295) 7.020 6.774 ( -1.052 6.331 0.185) 6.421 6.899 ( 0.100 6.835 0.244) 6.840 7.007 ( 0.988 9.017 -1.037) 9.130 7.076 ( -0.719 4.096 2.000) 4.614 7.169 ( -0.085 5.751 1.941) 6.070 7.238 ( -2.179 1.421 -2.658) 3.720 7.292 ( -1.387 3.413 -2.206) 4.294 7.377 ( -1.598 2.130 0.473) 2.705 7.499 ( 0.075 1.606 -1.164) 1.985 7.528 ( -1.761 2.248 -0.845) 2.978 7.666 ( -0.132 1.956 1.138) 2.267 7.860 ( -0.186 1.974 -0.675) 2.094 8.483 ( 1.333 0.152 -0.639) 1.486 8.539 ( 0.696 1.980 -1.169) 2.402 ======================= Grid point 180 (55/231) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.093 -9.418 7.456) 12.013 2.059 ( -9.399 0.220 -1.961) 9.604 2.128 ( -2.576 -3.884 2.910) 5.495 2.173 ( -10.710 -10.661 -3.389) 15.487 2.268 ( -2.034 0.741 5.850) 6.238 2.372 ( -2.990 -3.330 -2.172) 4.975 2.681 ( 4.522 -3.248 3.579) 6.619 2.884 ( -4.381 3.787 -2.232) 6.206 2.899 ( -4.784 0.125 0.597) 4.823 3.101 ( 0.621 1.995 1.450) 2.543 3.355 ( -3.532 3.221 1.529) 5.019 3.370 ( 0.686 5.828 2.577) 6.409 3.601 ( 0.387 3.405 2.984) 4.544 3.748 ( 11.351 1.444 -1.143) 11.499 3.820 ( 8.041 -0.748 -3.729) 8.895 4.689 ( 1.084 -10.812 1.795) 11.014 4.859 ( 0.121 -6.886 -3.564) 7.755 5.053 ( 0.361 -10.468 -0.586) 10.491 5.509 ( 1.053 -7.437 -2.361) 7.874 6.118 ( -0.408 -4.577 0.297) 4.605 6.146 ( 0.245 -4.880 -0.806) 4.953 6.619 ( 0.881 5.358 0.537) 5.456 6.674 ( -0.596 2.544 -0.585) 2.677 6.769 ( 0.332 5.619 0.220) 5.633 6.842 ( 0.630 7.321 -1.210) 7.447 6.981 ( -0.806 5.794 2.399) 6.322 7.023 ( -3.400 7.193 -0.209) 7.959 7.200 ( 0.015 2.755 -1.207) 3.008 7.242 ( -1.182 -0.274 -1.749) 2.128 7.349 ( -1.160 -0.062 0.530) 1.277 7.447 ( -0.449 3.288 -0.334) 3.335 7.504 ( -1.764 -0.418 -1.730) 2.505 7.605 ( -0.168 3.925 1.770) 4.309 7.827 ( -0.247 1.206 -0.570) 1.357 8.489 ( 0.999 -0.181 -1.156) 1.538 8.515 ( 1.096 0.873 -0.907) 1.669 ======================= Grid point 181 (56/231) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -3.302 -0.621 1.007) 3.508 2.062 ( 0.050 -4.964 3.300) 5.961 2.192 ( 1.015 -0.612 6.598) 6.704 2.204 ( -3.282 2.435 5.445) 6.807 2.304 ( -4.425 -6.197 -4.983) 9.100 2.443 ( -3.639 -4.717 -2.067) 6.306 2.746 ( 1.754 0.324 3.298) 3.749 2.784 ( -3.082 3.142 -2.646) 5.135 2.870 ( 1.953 3.351 4.836) 6.200 3.037 ( -1.780 2.092 -3.057) 4.109 3.260 ( 0.767 3.763 4.589) 5.984 3.288 ( -2.430 0.611 0.006) 2.506 3.524 ( 0.607 3.769 2.258) 4.436 3.726 ( 5.523 3.078 -2.015) 6.636 3.854 ( 2.419 -0.333 -4.035) 4.716 4.843 ( 1.635 -2.855 2.881) 4.373 4.967 ( -1.920 -4.221 -4.039) 6.150 5.223 ( 0.872 -5.129 -0.069) 5.203 5.652 ( 0.886 -4.806 -2.669) 5.568 6.204 ( -0.007 -2.218 0.841) 2.372 6.242 ( 0.938 -3.706 -1.406) 4.074 6.553 ( 1.205 1.508 1.294) 2.324 6.644 ( -1.548 1.032 -2.481) 3.101 6.723 ( 1.336 0.771 1.625) 2.241 6.751 ( 0.719 -0.537 -1.377) 1.643 6.832 ( -1.903 6.887 -0.080) 7.146 6.884 ( -2.092 4.853 1.540) 5.504 7.160 ( -0.577 0.520 -2.412) 2.534 7.248 ( 0.038 -0.123 -0.197) 0.235 7.368 ( 0.560 -0.683 -0.494) 1.012 7.389 ( -0.418 0.605 0.214) 0.765 7.495 ( -0.561 2.174 0.224) 2.257 7.541 ( -0.599 0.529 1.239) 1.475 7.809 ( -0.103 0.437 -0.501) 0.673 8.496 ( 0.450 -0.175 -1.293) 1.380 8.508 ( 0.658 0.374 -1.049) 1.294 ======================= Grid point 182 (57/231) ======================= q-point: (-0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.645 4.938 -0.564) 5.011 2.093 ( 0.817 2.044 4.507) 5.016 2.174 ( 1.072 -1.639 4.893) 5.270 2.250 ( 6.449 -2.900 8.599) 11.132 2.401 ( -0.491 -5.603 -4.102) 6.962 2.475 ( -2.212 0.139 -1.555) 2.708 2.642 ( -0.031 8.916 -2.477) 9.254 2.718 ( -1.478 3.673 2.230) 4.544 2.826 ( 6.631 1.356 1.079) 6.854 3.058 ( -2.480 -4.051 -0.431) 4.769 3.247 ( 1.664 -0.522 4.720) 5.032 3.325 ( 0.984 -4.296 -1.284) 4.590 3.495 ( -1.203 -1.107 2.120) 2.677 3.715 ( -2.285 -1.397 -2.327) 3.548 3.864 ( -3.610 -1.420 -3.579) 5.278 4.822 ( 1.364 5.373 1.591) 5.767 4.982 ( -2.691 1.662 -2.789) 4.217 5.241 ( 1.316 3.999 0.217) 4.216 5.664 ( -0.790 3.460 -2.420) 4.296 6.181 ( -0.142 4.033 -0.038) 4.035 6.263 ( -0.267 2.270 -0.586) 2.359 6.564 ( 0.581 -1.238 1.097) 1.753 6.632 ( -0.971 -0.525 -1.369) 1.759 6.690 ( -0.307 0.066 -0.586) 0.665 6.767 ( -0.332 -0.524 -0.482) 0.786 6.813 ( 0.917 -4.060 0.054) 4.163 6.895 ( 1.778 -5.812 1.259) 6.207 7.174 ( 0.100 -2.120 -2.852) 3.555 7.253 ( 0.660 -0.745 0.941) 1.370 7.353 ( 0.078 0.287 -1.047) 1.089 7.426 ( 2.746 0.627 1.841) 3.365 7.455 ( -0.892 -1.769 -0.757) 2.121 7.568 ( -0.442 -2.337 1.108) 2.624 7.809 ( 0.202 -0.401 -0.500) 0.672 8.494 ( -0.073 0.484 -1.336) 1.423 8.508 ( -0.311 -0.485 -1.055) 1.203 ======================= Grid point 183 (58/231) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.892 11.464 2.672) 11.923 2.062 ( 3.946 3.433 3.108) 6.084 2.185 ( 3.072 2.345 4.377) 5.839 2.355 ( 2.826 -2.894 -0.686) 4.103 2.388 ( 2.078 9.695 -0.606) 9.934 2.474 ( 2.498 6.086 3.370) 7.392 2.569 ( 7.916 -8.701 6.172) 13.284 2.647 ( -0.900 1.321 -4.655) 4.922 2.858 ( 5.985 0.343 -2.345) 6.437 3.126 ( 0.778 -2.942 1.908) 3.592 3.277 ( 0.210 -1.123 3.317) 3.508 3.410 ( 2.905 -1.490 -2.735) 4.259 3.531 ( -5.179 -2.596 2.312) 6.238 3.724 ( -8.618 -1.145 -1.759) 8.870 3.859 ( -7.225 -0.329 -2.169) 7.551 4.670 ( 0.181 9.502 0.673) 9.527 4.877 ( -2.198 6.561 -2.184) 7.256 5.090 ( 0.480 10.754 -0.062) 10.765 5.543 ( -1.281 6.243 -1.610) 6.574 6.087 ( 0.944 4.166 -0.475) 4.298 6.167 ( -0.266 5.613 -0.234) 5.624 6.607 ( 0.308 -3.654 -0.494) 3.700 6.682 ( -0.319 -4.940 1.211) 5.096 6.753 ( 0.459 -5.319 -1.157) 5.463 6.823 ( -0.032 -4.826 -1.333) 5.007 6.937 ( 1.337 -6.511 0.634) 6.677 7.026 ( 1.108 -5.927 0.703) 6.070 7.226 ( 0.973 -2.695 -2.765) 3.982 7.300 ( 1.607 -2.762 1.369) 3.476 7.360 ( 0.994 -1.046 0.564) 1.550 7.433 ( -0.056 -1.426 0.803) 1.637 7.507 ( 1.355 -2.096 -2.327) 3.412 7.616 ( 0.055 -2.287 1.562) 2.770 7.826 ( 0.464 -1.172 -0.571) 1.384 8.478 ( -0.534 0.749 -1.444) 1.712 8.522 ( -0.846 -1.348 -0.747) 1.758 ======================= Grid point 184 (59/231) ======================= q-point: (-0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 2.144 14.269 5.929) 15.599 1.993 ( 3.404 5.598 0.759) 6.595 2.096 ( 6.221 13.079 4.907) 15.292 2.165 ( 3.695 8.899 2.526) 9.961 2.380 ( 0.889 2.986 1.087) 3.300 2.399 ( 0.338 1.393 -4.334) 4.565 2.634 ( 0.961 0.206 -4.696) 4.798 2.781 ( 10.713 -3.300 7.565) 13.524 2.829 ( 3.723 4.901 -1.843) 6.425 3.159 ( 2.603 2.702 2.492) 4.504 3.275 ( -3.794 2.594 1.112) 4.729 3.349 ( 2.472 7.420 -2.749) 8.290 3.505 ( -6.373 2.585 3.036) 7.517 3.653 ( -7.013 3.359 0.480) 7.790 3.746 ( -9.595 8.028 -1.354) 12.583 4.471 ( -0.806 10.171 -0.983) 10.250 4.742 ( -0.915 4.830 -1.945) 5.287 4.879 ( -0.480 8.095 -0.237) 8.113 5.456 ( -0.671 1.089 -1.532) 1.996 6.059 ( 1.496 -0.985 -0.325) 1.820 6.094 ( 0.618 0.881 -0.289) 1.114 6.720 ( 0.843 -6.853 -0.164) 6.907 6.804 ( -0.770 -6.720 1.361) 6.899 6.878 ( 0.566 -6.455 -0.396) 6.492 6.940 ( 1.779 -6.593 -2.160) 7.162 7.066 ( 0.918 -5.536 0.782) 5.665 7.147 ( -0.550 -6.047 0.996) 6.153 7.282 ( 1.765 -2.219 -1.930) 3.430 7.350 ( 0.152 -1.721 -0.622) 1.836 7.413 ( 0.716 -2.932 2.140) 3.700 7.476 ( -0.556 -2.762 -1.615) 3.248 7.550 ( 1.379 -2.134 -0.355) 2.565 7.655 ( 0.683 -1.298 0.642) 1.601 7.859 ( 0.458 -1.958 -0.654) 2.114 8.461 ( -0.395 0.452 -1.378) 1.503 8.555 ( -0.883 -2.542 -0.611) 2.759 ======================= Grid point 185 (60/231) ======================= q-point: (-0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.954 16.159 8.856) 18.451 1.752 ( 5.070 22.065 6.230) 23.482 1.869 ( 0.287 7.683 -3.427) 8.418 2.077 ( 4.891 4.847 4.627) 8.296 2.272 ( 0.816 6.943 -2.680) 7.486 2.371 ( 1.894 4.036 -0.986) 4.566 2.510 ( -0.487 17.792 -3.278) 18.098 2.695 ( -2.711 3.718 -3.680) 5.892 2.774 ( 4.653 9.791 6.593) 12.688 2.944 ( -5.325 16.369 1.502) 17.279 3.084 ( 0.466 11.427 -0.170) 11.438 3.233 ( 2.112 11.489 2.215) 11.890 3.357 ( -1.092 14.120 -1.710) 14.265 3.509 ( -4.359 3.595 2.983) 6.390 3.589 ( -6.176 -0.168 0.803) 6.230 4.267 ( -1.138 8.031 -1.615) 8.271 4.691 ( 0.378 0.083 -2.070) 2.106 4.819 ( 0.117 -1.589 0.153) 1.601 5.486 ( -0.292 -3.688 -2.195) 4.302 6.122 ( 0.603 -3.996 -0.070) 4.042 6.145 ( 0.351 -5.323 -0.569) 5.365 6.856 ( 0.340 -5.367 -0.252) 5.383 6.909 ( -0.414 -3.642 1.585) 3.994 7.016 ( 1.110 -6.949 0.384) 7.047 7.090 ( 3.294 -5.983 -1.549) 7.004 7.180 ( 0.725 -5.982 0.302) 6.033 7.250 ( -1.798 -4.143 0.887) 4.602 7.325 ( 2.122 -1.290 -1.166) 2.743 7.380 ( -1.071 -2.090 -1.134) 2.608 7.454 ( -0.931 -0.707 0.146) 1.179 7.541 ( 0.020 -4.622 -0.987) 4.726 7.617 ( 0.868 -3.000 2.403) 3.941 7.686 ( 0.327 -2.328 -1.449) 2.762 7.909 ( 0.240 -2.971 -0.661) 3.053 8.461 ( 0.305 -0.733 -1.111) 1.366 8.614 ( -0.628 -3.735 -0.859) 3.883 ======================= Grid point 186 (61/231) ======================= q-point: (-0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.793 16.020 12.631) 20.416 1.298 ( 1.682 25.170 8.366) 26.577 1.689 ( -3.948 8.831 -7.912) 12.497 1.883 ( -1.779 34.769 5.904) 35.311 2.009 ( 2.842 6.374 3.204) 7.679 2.131 ( -1.181 7.861 -6.128) 10.037 2.287 ( -1.160 9.171 -1.403) 9.350 2.466 ( 1.467 13.963 6.187) 15.342 2.560 ( -0.737 17.610 1.055) 17.657 2.702 ( -3.711 2.706 -0.486) 4.618 2.808 ( -1.342 14.321 -1.973) 14.519 2.871 ( -2.665 20.515 0.475) 20.693 3.075 ( 4.132 13.359 -1.753) 14.093 3.425 ( -5.551 3.643 3.593) 7.550 3.645 ( -0.291 -5.074 -1.341) 5.256 4.188 ( 0.626 0.137 0.742) 0.980 4.720 ( 0.389 -2.314 -2.470) 3.407 4.894 ( 1.294 -4.495 1.132) 4.813 5.567 ( 0.009 -4.122 -2.948) 5.067 6.209 ( -0.480 -4.200 -0.264) 4.236 6.269 ( -0.670 -6.491 -0.957) 6.595 6.916 ( 0.055 -1.021 -0.029) 1.023 6.957 ( -0.485 -1.167 1.031) 1.631 7.153 ( 2.359 -4.725 1.336) 5.448 7.165 ( 2.456 -1.156 -0.301) 2.731 7.250 ( -1.422 0.242 -0.634) 1.576 7.336 ( -0.371 -3.649 0.771) 3.748 7.379 ( 2.165 -4.791 -1.476) 5.461 7.422 ( -0.234 -1.529 -1.069) 1.880 7.461 ( 0.287 -1.251 1.245) 1.788 7.642 ( 0.545 -4.210 1.164) 4.402 7.666 ( -0.204 -3.119 -0.312) 3.141 7.762 ( -1.303 -4.596 -1.796) 5.103 7.980 ( 0.046 -4.044 -0.365) 4.061 8.494 ( 1.044 -2.144 -0.655) 2.473 8.691 ( -0.447 -4.046 -1.389) 4.301 ======================= Grid point 187 (62/231) ======================= q-point: (-0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 4.398 17.026 14.141) 22.566 0.809 ( -6.310 22.676 12.901) 26.841 1.137 ( 5.012 33.494 19.945) 39.304 1.519 ( -7.861 5.172 -12.534) 15.673 1.851 ( -3.978 15.825 -9.344) 18.803 1.905 ( -2.493 4.149 1.176) 4.981 2.141 ( 1.498 4.739 2.361) 5.502 2.229 ( 2.984 12.225 3.850) 13.159 2.280 ( 1.593 8.483 5.576) 10.275 2.479 ( -0.933 14.204 -0.953) 14.267 2.524 ( -1.142 9.834 0.620) 9.919 2.671 ( -5.361 2.493 -2.895) 6.583 2.886 ( 3.467 6.153 -3.336) 7.810 3.343 ( -4.120 1.830 2.971) 5.399 3.730 ( -0.389 -3.219 -2.403) 4.036 4.220 ( 1.271 -1.669 2.374) 3.168 4.762 ( -0.378 -1.778 -2.797) 3.336 4.985 ( 1.881 -3.153 2.039) 4.200 5.634 ( 1.153 -2.465 -3.208) 4.207 6.273 ( -0.965 -2.498 -0.401) 2.707 6.378 ( -1.831 -4.960 -1.798) 5.584 6.921 ( 0.349 0.226 0.404) 0.580 6.957 ( -0.788 0.461 0.488) 1.035 7.153 ( 0.874 1.243 0.073) 1.521 7.223 ( -0.876 1.173 -0.884) 1.710 7.264 ( 3.447 -3.413 2.315) 5.375 7.354 ( 0.262 0.471 0.058) 0.542 7.416 ( 1.161 3.123 -1.086) 3.504 7.444 ( 2.546 -0.969 1.172) 2.966 7.546 ( 1.333 -4.936 0.893) 5.190 7.710 ( 0.003 -2.681 -1.228) 2.949 7.743 ( -1.012 -3.803 0.638) 3.987 7.827 ( -1.313 -2.584 -2.346) 3.729 8.059 ( 0.187 -3.347 0.222) 3.359 8.545 ( 1.268 -2.046 -0.202) 2.415 8.757 ( -0.538 -2.699 -1.925) 3.359 ======================= Grid point 189 (63/231) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 14.408 -0.000 16.918) 22.222 0.620 ( 19.404 -0.000 16.593) 25.531 1.117 ( 18.105 -0.000 31.098) 35.985 1.303 ( -7.226 0.000 -11.214) 13.340 1.602 ( -0.177 0.000 -12.113) 12.114 1.839 ( 0.949 -0.000 -1.837) 2.068 2.040 ( -1.126 0.000 2.044) 2.334 2.181 ( 2.813 -0.000 3.340) 4.366 2.262 ( 2.048 -0.000 5.155) 5.547 2.337 ( 1.541 -0.000 -1.248) 1.983 2.424 ( 1.025 -0.000 0.290) 1.066 2.505 ( -9.285 0.000 -5.367) 10.725 2.843 ( -0.257 0.000 -4.385) 4.393 3.339 ( 0.249 -0.000 3.423) 3.432 3.732 ( -2.309 0.000 -3.950) 4.576 4.249 ( -0.947 0.000 2.676) 2.839 4.759 ( -1.621 0.000 -2.656) 3.111 5.049 ( 1.225 -0.000 2.325) 2.628 5.696 ( 0.807 -0.000 -3.893) 3.976 6.280 ( -1.455 0.000 -0.629) 1.586 6.363 ( -3.152 0.000 -2.631) 4.105 6.926 ( 0.316 -0.000 0.641) 0.714 6.944 ( 0.029 -0.000 0.295) 0.296 7.150 ( 1.007 -0.000 0.742) 1.251 7.198 ( 0.157 -0.000 -1.219) 1.229 7.347 ( -0.224 0.000 0.202) 0.301 7.358 ( 2.291 -0.000 0.982) 2.492 7.362 ( 2.711 -0.000 4.341) 5.118 7.503 ( -0.671 0.000 0.496) 0.834 7.624 ( 1.233 -0.000 0.898) 1.526 7.697 ( -2.324 0.000 -0.745) 2.440 7.788 ( 0.377 -0.000 -0.668) 0.767 7.839 ( -0.051 0.000 -2.744) 2.744 8.109 ( 1.244 -0.000 0.529) 1.351 8.582 ( 0.786 -0.000 0.520) 0.943 8.767 ( -1.149 0.000 -2.485) 2.738 ======================= Grid point 190 (64/231) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 4.405 -14.342 13.512) 20.191 0.946 ( 12.236 -9.803 18.690) 24.395 1.321 ( -7.235 -8.840 -12.493) 16.928 1.532 ( 18.946 -24.619 13.605) 33.914 1.793 ( 2.463 -16.661 -1.867) 16.945 1.878 ( 0.342 -4.083 -3.661) 5.494 2.159 ( -0.009 -10.055 2.781) 10.432 2.290 ( 0.178 -7.083 2.860) 7.641 2.376 ( 4.412 -10.974 4.527) 12.664 2.454 ( -6.263 -2.958 -3.904) 7.951 2.486 ( 1.263 -13.266 -1.516) 13.412 2.559 ( -0.452 -9.755 -2.268) 10.025 2.892 ( -0.641 -6.315 -4.231) 7.628 3.356 ( 1.476 -1.138 4.455) 4.829 3.683 ( -3.111 2.901 -4.098) 5.907 4.230 ( -0.777 1.361 2.234) 2.729 4.734 ( -1.757 1.186 -2.339) 3.156 5.020 ( 0.716 3.557 1.932) 4.111 5.659 ( 0.544 3.462 -3.387) 4.874 6.249 ( -1.103 2.284 -0.758) 2.647 6.321 ( -1.198 2.782 -2.144) 3.711 6.929 ( 0.185 -0.038 0.341) 0.390 6.952 ( 0.176 -0.465 0.534) 0.730 7.164 ( 0.237 -0.705 0.659) 0.994 7.211 ( 0.286 -0.864 -1.369) 1.643 7.305 ( 1.500 3.826 2.934) 5.050 7.357 ( 0.560 0.395 0.581) 0.898 7.414 ( -0.215 -0.861 0.481) 1.010 7.475 ( 0.312 1.995 -0.486) 2.077 7.587 ( 0.820 3.660 1.239) 3.950 7.665 ( -0.812 2.183 0.684) 2.427 7.754 ( 0.909 3.333 -0.831) 3.553 7.807 ( 0.083 2.948 -2.802) 4.068 8.075 ( 1.171 3.783 0.183) 3.965 8.565 ( 0.672 1.862 0.484) 2.038 8.732 ( -1.103 2.568 -2.313) 3.627 ======================= Grid point 191 (65/231) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.420 -16.944 12.195) 20.881 1.234 ( 4.044 -14.637 11.059) 18.786 1.501 ( -5.912 -12.606 -4.970) 14.784 1.968 ( -2.754 -10.708 -0.790) 11.085 2.009 ( -3.263 -9.490 -10.351) 14.417 2.253 ( 7.510 -14.877 11.878) 20.465 2.369 ( 6.014 -14.574 4.659) 16.440 2.480 ( -5.122 -9.763 -4.295) 11.833 2.521 ( -0.551 -10.376 1.043) 10.443 2.667 ( 4.490 -13.704 1.121) 14.464 2.789 ( 1.325 -17.171 -0.544) 17.230 2.901 ( 4.038 -21.210 -0.574) 21.599 3.107 ( -0.320 -14.628 -2.509) 14.845 3.409 ( 1.951 -2.897 5.582) 6.585 3.598 ( -1.514 3.042 -4.183) 5.389 4.209 ( 0.360 0.052 0.989) 1.054 4.700 ( -0.995 1.011 -2.010) 2.461 4.927 ( 0.246 5.713 1.108) 5.824 5.566 ( 0.073 5.471 -3.045) 6.262 6.180 ( -1.130 3.872 -0.589) 4.077 6.240 ( -0.162 4.702 -1.240) 4.866 6.921 ( 0.449 1.266 -0.139) 1.350 6.951 ( -0.250 1.011 1.049) 1.478 7.166 ( -1.316 1.508 0.918) 2.202 7.197 ( -0.005 4.405 0.341) 4.418 7.229 ( 0.951 2.076 -0.354) 2.310 7.332 ( -0.156 2.500 0.018) 2.505 7.362 ( -2.125 4.082 -0.569) 4.637 7.442 ( 1.792 2.905 -1.084) 3.581 7.511 ( 1.084 4.114 1.961) 4.685 7.609 ( -0.854 3.335 0.872) 3.551 7.694 ( 0.788 2.261 0.119) 2.398 7.719 ( 0.460 5.366 -2.661) 6.007 7.989 ( 0.595 4.657 -0.434) 4.715 8.527 ( 0.775 2.064 0.142) 2.210 8.660 ( -0.576 3.614 -1.851) 4.101 ======================= Grid point 192 (66/231) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.610 -14.534 11.752) 18.701 1.562 ( -4.567 -16.596 4.268) 17.734 1.723 ( -6.579 -12.346 0.033) 13.989 2.098 ( -9.391 -4.563 -8.845) 13.684 2.131 ( -4.934 -7.219 2.437) 9.078 2.322 ( 0.871 0.390 1.346) 1.650 2.581 ( 1.124 -2.837 1.418) 3.365 2.689 ( -4.341 -10.541 -2.463) 11.663 2.809 ( -2.061 -12.785 4.823) 13.819 3.016 ( 6.849 -13.243 -0.627) 14.922 3.141 ( -0.677 -14.480 -0.535) 14.506 3.330 ( 3.525 -14.485 4.359) 15.532 3.354 ( 4.323 -11.687 -1.365) 12.535 3.513 ( 1.406 -6.262 5.354) 8.358 3.636 ( 7.465 -7.855 -3.300) 11.328 4.264 ( 1.350 -5.797 -1.289) 6.090 4.695 ( 0.414 -1.046 -1.905) 2.212 4.826 ( 0.173 3.196 0.014) 3.201 5.455 ( -0.295 4.702 -2.564) 5.363 6.094 ( -1.816 3.393 -0.232) 3.856 6.140 ( -0.047 4.639 -0.708) 4.693 6.870 ( 1.038 4.541 -0.254) 4.665 6.890 ( -1.182 5.061 1.142) 5.321 7.040 ( 0.347 7.404 0.632) 7.439 7.138 ( -2.041 2.903 0.361) 3.567 7.172 ( 0.818 5.349 -1.070) 5.516 7.258 ( -1.142 3.145 -0.489) 3.381 7.274 ( -1.022 4.185 0.442) 4.331 7.369 ( 0.590 4.437 -1.595) 4.752 7.438 ( 0.141 4.066 1.103) 4.215 7.532 ( -1.339 3.026 -0.446) 3.339 7.599 ( 0.028 5.114 -1.237) 5.262 7.686 ( 0.210 0.350 0.680) 0.793 7.910 ( 0.026 3.265 -0.735) 3.347 8.500 ( 1.022 1.010 -0.498) 1.521 8.591 ( 0.346 2.970 -1.220) 3.230 ======================= Grid point 193 (67/231) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.336 -12.497 9.964) 15.986 1.836 ( -9.080 -13.905 1.544) 16.679 1.912 ( -7.854 -9.962 0.900) 12.717 2.075 ( -10.006 -0.181 -4.796) 11.097 2.222 ( -6.468 -4.070 3.062) 8.233 2.331 ( 1.976 -0.604 1.116) 2.348 2.643 ( 3.309 -2.823 1.507) 4.603 2.807 ( -5.242 -4.630 -2.340) 7.375 2.916 ( -7.018 -0.505 2.008) 7.317 3.140 ( 4.708 0.471 0.574) 4.767 3.315 ( -5.018 -5.148 -2.524) 7.619 3.440 ( -0.232 -1.233 3.816) 4.017 3.620 ( 0.833 -2.700 4.491) 5.306 3.723 ( 12.663 -10.715 0.601) 16.599 3.844 ( 10.486 -4.434 -2.570) 11.671 4.453 ( 1.246 -11.850 -1.325) 11.989 4.744 ( 1.162 -3.921 -2.135) 4.613 4.864 ( 0.768 -7.083 -0.687) 7.158 5.411 ( 0.304 -1.525 -2.128) 2.636 6.054 ( -1.976 -0.887 0.340) 2.192 6.084 ( -0.167 -0.084 -0.947) 0.965 6.746 ( -0.656 6.861 1.078) 6.976 6.770 ( 0.870 6.255 -0.916) 6.381 6.901 ( 0.239 7.006 0.209) 7.013 7.013 ( 0.463 8.575 -0.996) 8.645 7.073 ( -0.487 4.086 2.069) 4.606 7.148 ( -3.670 6.713 -0.969) 7.712 7.231 ( 0.762 0.247 0.173) 0.820 7.277 ( -0.861 4.625 -2.070) 5.139 7.364 ( -0.884 2.413 0.785) 2.687 7.487 ( -1.952 0.626 -1.540) 2.564 7.515 ( -0.516 3.563 -0.324) 3.615 7.666 ( -0.258 1.964 1.241) 2.337 7.857 ( -0.251 2.026 -0.700) 2.159 8.494 ( 1.120 0.185 -1.185) 1.641 8.547 ( 1.132 1.754 -0.734) 2.213 ======================= Grid point 194 (68/231) ======================= q-point: ( 0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -0.259 -8.078 7.195) 10.821 1.963 ( -8.427 -2.992 -0.862) 8.984 2.056 ( -10.518 -10.885 -1.574) 15.219 2.104 ( -3.098 -6.670 3.503) 8.146 2.234 ( -5.452 -0.313 3.867) 6.692 2.363 ( 1.137 -1.784 0.370) 2.147 2.735 ( 4.519 -3.756 3.215) 6.698 2.834 ( -4.228 2.926 -1.398) 5.328 2.847 ( -5.058 -1.637 -0.800) 5.377 3.109 ( 0.445 4.485 -0.843) 4.585 3.294 ( -5.444 2.701 -3.155) 6.848 3.397 ( 0.721 4.588 6.691) 8.145 3.612 ( 0.929 3.756 2.557) 4.638 3.858 ( 9.845 3.234 -1.332) 10.447 3.897 ( 7.563 1.625 -3.181) 8.364 4.704 ( 1.234 -11.219 1.411) 11.374 4.853 ( -0.127 -5.776 -3.240) 6.624 5.060 ( 1.023 -10.399 -0.512) 10.461 5.518 ( 1.364 -7.695 -2.254) 8.134 6.115 ( -0.317 -5.363 0.816) 5.434 6.146 ( 0.130 -5.267 -1.338) 5.436 6.629 ( 0.554 4.800 1.093) 4.954 6.668 ( -0.092 3.292 -1.429) 3.590 6.774 ( 0.501 4.990 0.215) 5.020 6.847 ( 0.807 7.670 -0.737) 7.748 6.971 ( -1.947 7.118 1.023) 7.450 6.984 ( -3.365 6.126 0.195) 6.993 7.188 ( -1.400 2.942 -2.941) 4.389 7.244 ( 1.074 -0.474 0.655) 1.344 7.343 ( -0.094 -0.560 1.068) 1.210 7.438 ( -1.068 3.561 -0.509) 3.753 7.480 ( -2.144 -0.920 -1.637) 2.850 7.607 ( -0.180 3.813 1.924) 4.274 7.823 ( -0.276 1.158 -0.595) 1.331 8.497 ( 0.936 0.017 -1.530) 1.794 8.526 ( 1.193 1.010 -0.701) 1.714 ======================= Grid point 195 (69/231) ======================= q-point: ( 0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -1.131 -2.797 0.945) 3.162 2.062 ( -0.953 -5.664 2.307) 6.190 2.167 ( -4.224 -0.576 4.503) 6.200 2.219 ( -0.382 -4.912 6.961) 8.528 2.243 ( -4.554 -6.693 -0.270) 8.100 2.416 ( -0.858 -3.177 -1.391) 3.573 2.749 ( -2.290 3.488 -2.986) 5.131 2.788 ( 4.409 2.971 3.140) 6.174 2.874 ( -2.060 -1.615 2.146) 3.384 2.996 ( -4.643 1.515 -4.765) 6.823 3.245 ( -1.758 -0.923 -0.768) 2.129 3.316 ( 3.776 4.444 7.078) 9.171 3.527 ( -0.522 3.770 1.675) 4.158 3.781 ( 5.520 6.124 -1.806) 8.440 3.869 ( 1.785 3.042 -4.194) 5.480 4.870 ( 2.574 -3.015 3.319) 5.170 4.935 ( -2.818 -3.516 -4.307) 6.233 5.233 ( 0.996 -5.304 -0.342) 5.407 5.657 ( 0.834 -4.070 -2.685) 4.947 6.203 ( -0.286 -2.012 0.801) 2.184 6.250 ( 0.912 -3.544 -1.366) 3.906 6.570 ( 1.460 1.417 1.828) 2.735 6.624 ( -1.414 0.980 -2.300) 2.872 6.733 ( 0.492 3.668 -0.062) 3.702 6.761 ( 1.378 -2.912 0.034) 3.222 6.812 ( -1.716 5.721 -0.631) 6.006 6.866 ( -1.856 3.959 1.676) 4.683 7.148 ( -0.643 0.164 -3.115) 3.185 7.251 ( 0.402 -0.006 0.631) 0.748 7.370 ( -0.267 1.559 -0.938) 1.839 7.388 ( 0.443 -2.529 0.575) 2.631 7.489 ( -0.542 0.522 -0.321) 0.819 7.536 ( -0.695 1.597 1.991) 2.646 7.807 ( -0.102 0.303 -0.513) 0.604 8.499 ( 0.476 0.102 -1.442) 1.522 8.513 ( 0.553 0.812 -0.977) 1.385 ======================= Grid point 196 (70/231) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.662 4.347 -0.265) 4.405 2.108 ( 0.729 -0.048 4.667) 4.724 2.187 ( 0.438 -2.376 4.816) 5.388 2.322 ( 2.780 -3.759 2.337) 5.227 2.396 ( 1.545 -9.654 3.473) 10.375 2.454 ( -0.970 -0.662 -0.433) 1.251 2.614 ( -2.555 6.860 -6.578) 9.842 2.727 ( 1.415 4.270 4.134) 6.109 2.888 ( 4.066 -0.320 -0.651) 4.131 3.034 ( -1.188 -4.740 0.675) 4.933 3.278 ( 2.408 0.085 5.416) 5.927 3.327 ( -0.321 -5.529 -1.966) 5.876 3.486 ( -1.026 0.233 2.255) 2.488 3.703 ( 0.605 2.910 -1.648) 3.398 3.814 ( -4.895 0.844 -4.338) 6.595 4.841 ( 1.610 6.239 1.546) 6.627 4.950 ( -2.450 1.288 -2.146) 3.502 5.253 ( 0.778 4.055 -0.475) 4.156 5.651 ( -0.835 4.117 -2.335) 4.807 6.181 ( 0.277 3.785 -0.263) 3.804 6.256 ( -0.780 2.692 -0.499) 2.847 6.566 ( -0.434 -0.560 -0.184) 0.732 6.630 ( 0.698 -1.065 0.671) 1.439 6.687 ( -0.159 -0.348 -0.921) 0.997 6.764 ( -0.297 -0.380 -0.473) 0.676 6.823 ( 1.007 -4.942 0.372) 5.057 6.913 ( 1.306 -6.088 1.165) 6.335 7.170 ( 0.145 -2.538 -3.716) 4.502 7.265 ( 1.015 -1.303 1.455) 2.201 7.352 ( 0.062 -0.191 -0.947) 0.968 7.437 ( -1.452 0.724 0.470) 1.690 7.464 ( 2.936 -1.739 0.389) 3.435 7.562 ( -1.006 -2.842 0.778) 3.113 7.810 ( 0.186 -0.564 -0.487) 0.768 8.492 ( 0.026 0.816 -1.192) 1.445 8.503 ( -0.292 -0.148 -1.122) 1.169 ======================= Grid point 197 (71/231) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 1.787 10.787 4.581) 11.855 2.101 ( 2.714 2.721 2.938) 4.838 2.214 ( 1.517 0.964 4.656) 4.991 2.354 ( -1.074 1.365 -3.900) 4.269 2.408 ( 1.550 4.191 -3.942) 5.959 2.492 ( 0.082 4.759 -0.365) 4.774 2.619 ( -0.238 -1.508 -0.150) 1.534 2.693 ( 9.641 -7.367 9.897) 15.658 2.919 ( 5.850 0.730 -3.181) 6.699 3.140 ( 1.620 -4.913 2.420) 5.711 3.295 ( 2.001 0.570 4.549) 5.002 3.412 ( -3.496 -2.326 -2.943) 5.128 3.487 ( -1.877 -0.141 1.431) 2.364 3.657 ( -3.490 1.533 -0.932) 3.924 3.777 ( -7.660 0.131 -2.244) 7.983 4.673 ( 0.182 10.196 0.545) 10.212 4.855 ( -1.330 6.279 -1.634) 6.623 5.091 ( -0.206 11.189 -0.731) 11.215 5.527 ( -1.277 6.038 -1.812) 6.433 6.098 ( 1.234 3.760 -0.666) 4.013 6.162 ( -0.614 5.006 -0.014) 5.044 6.609 ( 0.137 -4.152 -0.686) 4.210 6.683 ( -0.016 -4.463 1.405) 4.679 6.756 ( 0.517 -5.567 -0.889) 5.661 6.824 ( 0.582 -5.227 -1.355) 5.431 6.952 ( 1.184 -6.253 1.447) 6.527 7.036 ( 0.667 -5.436 1.000) 5.568 7.230 ( 0.553 -3.239 -3.679) 4.933 7.313 ( 0.603 -2.248 0.340) 2.352 7.373 ( 1.279 -1.682 0.943) 2.314 7.430 ( -0.799 -1.183 0.741) 1.609 7.519 ( 1.497 -1.943 -2.115) 3.239 7.617 ( -0.263 -2.750 1.151) 2.993 7.829 ( 0.363 -1.244 -0.549) 1.407 8.472 ( -0.222 0.876 -1.150) 1.463 8.513 ( -0.646 -1.202 -0.878) 1.623 ======================= Grid point 198 (72/231) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 1.335 14.377 7.497) 16.270 2.022 ( 2.016 6.716 0.852) 7.064 2.148 ( 2.777 11.766 1.387) 12.169 2.195 ( 1.182 7.631 2.850) 8.231 2.376 ( -1.330 -0.791 -2.396) 2.852 2.405 ( 0.957 5.325 -1.689) 5.668 2.619 ( -1.623 -1.015 -5.068) 5.418 2.870 ( 4.611 6.728 -1.580) 8.308 2.909 ( 10.581 -1.515 8.288) 13.526 3.166 ( -3.512 6.320 2.832) 7.765 3.254 ( 1.094 4.941 2.352) 5.580 3.384 ( 3.911 1.750 -2.310) 4.868 3.445 ( -4.566 2.714 2.097) 5.710 3.590 ( -5.669 2.958 0.594) 6.422 3.664 ( -5.515 8.592 0.121) 10.211 4.462 ( -0.655 10.810 -1.635) 10.953 4.732 ( -0.461 4.247 -1.775) 4.626 4.873 ( -0.571 8.024 -0.366) 8.053 5.445 ( -0.885 0.792 -1.981) 2.310 6.072 ( 1.105 -0.833 -0.476) 1.463 6.098 ( 0.155 0.612 -0.045) 0.633 6.727 ( 0.518 -6.942 -0.294) 6.968 6.799 ( -0.655 -6.601 1.371) 6.774 6.886 ( 0.874 -6.570 -0.060) 6.628 6.959 ( 2.241 -7.441 -1.863) 7.991 7.076 ( 0.607 -5.555 1.557) 5.801 7.143 ( -0.393 -5.197 1.165) 5.340 7.293 ( 0.978 -2.789 -2.755) 4.041 7.345 ( -0.817 -1.234 -1.155) 1.878 7.417 ( -0.584 -1.966 1.510) 2.547 7.474 ( 0.597 -2.853 -1.060) 3.102 7.560 ( 0.667 -2.218 -0.537) 2.378 7.663 ( 0.475 -1.517 0.392) 1.637 7.862 ( 0.314 -1.919 -0.638) 2.047 8.457 ( 0.121 0.311 -0.961) 1.017 8.546 ( -0.672 -2.551 -0.901) 2.788 ======================= Grid point 199 (73/231) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 1.084 16.153 10.301) 19.189 1.777 ( -2.101 21.513 2.306) 21.738 1.860 ( -0.862 10.033 -3.615) 10.699 2.131 ( 3.732 3.993 5.756) 7.938 2.267 ( -0.765 7.938 -4.510) 9.162 2.368 ( -2.206 1.451 -1.821) 3.207 2.537 ( 6.312 21.304 1.656) 22.281 2.660 ( -2.489 4.768 -4.236) 6.847 2.821 ( 2.187 12.921 5.729) 14.303 2.903 ( -3.010 14.751 2.465) 15.256 3.093 ( 1.120 12.540 0.077) 12.590 3.248 ( 0.333 15.398 1.094) 15.441 3.359 ( 1.506 12.743 -1.062) 12.876 3.478 ( -1.688 0.484 0.757) 1.912 3.539 ( -3.891 -1.484 2.801) 5.019 4.256 ( -0.446 7.417 -1.840) 7.655 4.692 ( 0.355 -0.092 -1.922) 1.956 4.820 ( 0.130 -2.228 0.295) 2.251 5.478 ( -0.418 -3.901 -2.497) 4.650 6.125 ( 0.036 -3.573 -0.193) 3.578 6.146 ( -0.028 -4.982 -0.531) 5.010 6.857 ( 0.076 -5.065 -0.444) 5.085 6.908 ( -0.397 -3.879 1.715) 4.259 7.030 ( 1.206 -7.447 0.525) 7.562 7.121 ( 2.937 -6.149 -1.272) 6.932 7.187 ( 0.214 -5.319 0.980) 5.413 7.235 ( -1.051 -4.090 0.779) 4.294 7.341 ( 1.323 -1.674 -1.668) 2.708 7.365 ( -1.398 -2.136 -1.295) 2.862 7.446 ( -0.687 -1.095 0.414) 1.357 7.541 ( 0.253 -4.182 -0.623) 4.236 7.626 ( 0.184 -3.720 1.571) 4.043 7.686 ( -0.041 -1.145 -1.708) 2.057 7.910 ( 0.215 -2.908 -0.677) 2.993 8.465 ( 0.758 -1.003 -0.585) 1.387 8.606 ( -0.615 -3.783 -1.330) 4.057 ======================= Grid point 200 (74/231) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 2.817 15.101 14.461) 21.098 1.284 ( -5.924 25.315 4.796) 26.438 1.634 ( -4.423 10.413 -8.189) 13.966 1.931 ( 8.333 35.935 8.248) 37.800 2.029 ( 0.378 8.006 3.731) 8.841 2.102 ( -2.107 8.941 -7.151) 11.642 2.291 ( 1.723 7.943 1.741) 8.312 2.492 ( 1.348 12.370 5.392) 13.562 2.567 ( 1.877 17.706 2.115) 17.930 2.652 ( -5.231 2.845 -3.371) 6.843 2.792 ( -1.094 15.540 -2.063) 15.714 2.859 ( 0.088 20.284 0.205) 20.286 3.106 ( 2.228 13.447 -2.568) 13.870 3.388 ( -2.381 4.080 4.560) 6.566 3.635 ( -1.071 -5.599 -2.485) 6.219 4.196 ( 0.688 -0.490 1.133) 1.413 4.718 ( -0.042 -2.060 -2.373) 3.142 4.908 ( 1.031 -5.049 1.432) 5.348 5.565 ( 0.684 -4.505 -2.922) 5.413 6.202 ( -0.706 -3.902 -0.400) 3.985 6.258 ( -1.123 -5.842 -1.196) 6.068 6.916 ( 0.095 -1.222 -0.045) 1.226 6.953 ( -0.409 -0.888 1.024) 1.416 7.177 ( 1.710 -2.283 1.387) 3.172 7.184 ( 0.673 -3.669 0.354) 3.747 7.235 ( -1.111 0.023 -1.160) 1.606 7.334 ( -0.201 -3.575 0.663) 3.642 7.394 ( 0.952 -4.188 -1.075) 4.427 7.421 ( -0.001 -2.772 -1.571) 3.187 7.473 ( 1.527 -2.166 2.162) 3.420 7.642 ( -0.842 -5.410 0.663) 5.515 7.670 ( 0.736 -0.996 -0.089) 1.242 7.743 ( -1.562 -4.654 -2.623) 5.566 7.982 ( 0.300 -4.075 -0.397) 4.106 8.504 ( 1.107 -2.289 -0.100) 2.544 8.682 ( -0.714 -4.050 -1.921) 4.538 ======================= Grid point 203 (75/231) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 13.495 -0.000 15.348) 20.437 0.863 ( 22.323 -0.000 12.423) 25.547 1.170 ( -5.366 0.000 -12.293) 13.413 1.423 ( 22.293 -0.000 29.644) 37.091 1.593 ( 1.942 -0.000 -11.823) 11.981 1.862 ( 4.186 -0.000 -3.934) 5.745 2.034 ( -0.963 0.000 2.375) 2.563 2.215 ( 2.823 -0.000 2.146) 3.546 2.252 ( -5.611 0.000 -0.407) 5.625 2.352 ( 1.781 -0.000 -1.123) 2.105 2.423 ( -3.958 0.000 -1.207) 4.138 2.441 ( 2.124 -0.000 0.295) 2.144 2.829 ( -1.110 0.000 -4.619) 4.750 3.357 ( 1.926 -0.000 4.103) 4.533 3.690 ( -4.527 0.000 -4.160) 6.148 4.240 ( -1.371 0.000 2.245) 2.631 4.733 ( -2.453 0.000 -2.108) 3.235 5.060 ( 0.219 -0.000 1.744) 1.758 5.694 ( 0.174 -0.000 -3.446) 3.450 6.267 ( -0.832 0.000 -0.919) 1.240 6.340 ( -0.954 0.000 -2.221) 2.418 6.928 ( -0.061 0.000 0.266) 0.273 6.948 ( 0.641 -0.000 0.667) 0.925 7.161 ( 0.776 -0.000 0.597) 0.979 7.204 ( 1.328 -0.000 -0.986) 1.654 7.349 ( 0.510 -0.000 0.115) 0.523 7.387 ( 2.906 -0.000 0.870) 3.033 7.395 ( 2.286 -0.000 4.463) 5.015 7.494 ( -0.911 0.000 -0.965) 1.327 7.619 ( -2.026 0.000 -1.248) 2.380 7.698 ( 2.319 -0.000 2.695) 3.555 7.793 ( 0.727 -0.000 -1.664) 1.816 7.836 ( 0.297 -0.000 -2.697) 2.713 8.125 ( 1.591 -0.000 0.348) 1.629 8.588 ( 0.132 -0.000 0.461) 0.479 8.750 ( -1.200 0.000 -2.124) 2.439 ======================= Grid point 204 (76/231) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 9.671 -7.029 13.881) 18.320 1.106 ( 12.085 -5.572 14.456) 19.648 1.243 ( -3.351 -9.752 -6.884) 12.398 1.680 ( 7.501 -14.796 -4.553) 17.202 1.876 ( 1.573 -2.903 -5.317) 6.258 1.891 ( 13.335 -20.348 14.364) 28.253 2.162 ( 0.067 -11.389 1.743) 11.521 2.253 ( -7.552 -5.404 -2.587) 9.640 2.403 ( 0.204 -8.260 -1.272) 8.360 2.434 ( 3.478 -7.546 4.788) 9.589 2.504 ( 2.599 -12.919 -1.270) 13.239 2.567 ( 2.052 -11.055 -0.984) 11.287 2.876 ( -1.166 -6.583 -4.079) 7.832 3.384 ( 2.411 -1.284 4.468) 5.237 3.636 ( -4.658 2.297 -4.052) 6.587 4.224 ( -0.893 0.917 1.814) 2.220 4.710 ( -2.264 0.794 -1.783) 2.989 5.025 ( -0.239 3.561 1.212) 3.769 5.657 ( 0.142 3.414 -3.268) 4.728 6.239 ( -0.493 2.320 -0.798) 2.502 6.311 ( -0.268 2.465 -1.629) 2.967 6.930 ( 0.032 -0.167 0.055) 0.179 6.956 ( 0.439 -0.216 0.814) 0.949 7.166 ( 0.058 -0.076 0.428) 0.439 7.217 ( 1.151 -0.316 -0.998) 1.556 7.326 ( 1.804 3.276 1.993) 4.238 7.368 ( 1.119 1.859 0.896) 2.347 7.412 ( -0.556 1.406 0.502) 1.593 7.481 ( 1.033 0.507 -1.043) 1.553 7.580 ( -1.786 2.427 -0.884) 3.140 7.682 ( 2.870 3.149 3.444) 5.478 7.761 ( 0.700 3.119 -1.635) 3.591 7.806 ( 0.639 2.925 -2.643) 3.994 8.089 ( 1.344 4.108 0.002) 4.323 8.569 ( -0.125 1.695 0.113) 1.704 8.718 ( -0.863 2.396 -1.624) 3.021 ======================= Grid point 205 (77/231) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.964 -14.734 12.435) 19.380 1.299 ( 2.809 -10.270 4.837) 11.695 1.455 ( -0.574 -11.442 5.028) 12.511 1.931 ( -5.619 -5.563 -5.747) 9.774 1.953 ( -3.293 -9.532 -4.952) 11.235 2.297 ( 0.618 -5.478 5.447) 7.750 2.408 ( -6.113 -13.807 -5.534) 16.082 2.436 ( 2.549 -13.210 6.090) 14.768 2.562 ( 7.480 -12.129 1.676) 14.348 2.712 ( 3.885 -14.983 0.101) 15.479 2.808 ( 2.504 -17.373 0.658) 17.565 2.952 ( 5.735 -22.076 0.839) 22.825 3.105 ( 0.940 -15.318 -2.193) 15.503 3.441 ( 2.403 -2.851 5.366) 6.534 3.574 ( -1.888 0.315 -4.125) 4.548 4.214 ( 0.344 -0.557 0.789) 1.026 4.686 ( -1.172 0.285 -1.696) 2.082 4.927 ( -0.378 5.657 0.393) 5.683 5.562 ( -0.060 5.597 -2.864) 6.288 6.169 ( -0.841 4.235 -0.461) 4.342 6.238 ( 0.112 4.582 -1.017) 4.695 6.927 ( 0.587 0.998 -0.201) 1.175 6.950 ( -0.302 1.405 1.068) 1.791 7.153 ( -1.306 1.616 0.679) 2.186 7.198 ( 0.408 4.207 -1.046) 4.354 7.240 ( 1.003 4.068 0.851) 4.276 7.330 ( -0.097 2.241 -0.098) 2.245 7.343 ( -1.350 4.322 -0.495) 4.555 7.456 ( 1.073 3.276 -1.038) 3.600 7.521 ( 0.525 3.089 0.330) 3.151 7.613 ( 1.034 4.892 2.188) 5.458 7.694 ( -0.337 3.173 -0.943) 3.327 7.728 ( 1.608 4.631 -1.496) 5.126 7.995 ( 0.609 5.081 -0.509) 5.143 8.531 ( 0.039 1.756 -0.550) 1.841 8.655 ( -0.093 3.270 -0.949) 3.406 ======================= Grid point 206 (78/231) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -1.490 -14.640 10.055) 17.823 1.540 ( -3.181 -12.938 1.445) 13.401 1.676 ( -1.588 -10.297 8.242) 13.285 1.972 ( -12.219 -3.701 -7.742) 14.931 2.082 ( -4.920 -6.343 1.373) 8.144 2.336 ( 1.223 -0.393 1.607) 2.058 2.597 ( 0.205 -3.928 2.488) 4.655 2.638 ( -3.147 -10.227 -4.786) 11.722 2.794 ( -2.161 -8.466 3.577) 9.441 3.059 ( 1.367 -13.783 -2.460) 14.067 3.139 ( 1.271 -10.123 0.257) 10.205 3.323 ( -1.905 -9.097 0.499) 9.308 3.461 ( 11.572 -19.906 3.214) 23.248 3.536 ( 1.576 -5.389 4.214) 7.020 3.704 ( 6.405 -12.094 -2.956) 14.001 4.277 ( 1.400 -5.869 -0.801) 6.086 4.696 ( 0.406 -1.839 -1.991) 2.740 4.827 ( 0.125 2.947 -0.410) 2.978 5.449 ( -0.006 4.635 -2.153) 5.110 6.075 ( -1.779 3.794 -0.075) 4.191 6.138 ( -0.095 4.763 -0.835) 4.837 6.875 ( -0.878 5.551 1.013) 5.711 6.886 ( 0.961 4.188 -0.488) 4.324 7.046 ( 0.404 7.288 0.609) 7.325 7.118 ( -1.708 3.022 -0.763) 3.554 7.177 ( 0.413 4.396 -0.305) 4.426 7.232 ( -2.400 5.028 -1.238) 5.707 7.279 ( 0.563 3.103 1.156) 3.359 7.373 ( 0.609 5.032 -1.266) 5.225 7.443 ( 0.541 4.867 0.500) 4.923 7.516 ( -1.431 3.935 0.088) 4.189 7.603 ( 0.812 5.198 -0.647) 5.300 7.687 ( -0.213 0.672 0.536) 0.886 7.909 ( -0.015 3.482 -0.769) 3.566 8.506 ( 0.467 0.729 -1.316) 1.576 8.595 ( 0.800 2.615 -0.378) 2.760 ======================= Grid point 207 (79/231) ======================= q-point: ( 0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -3.322 -13.243 7.449) 15.553 1.760 ( -7.520 -11.063 0.288) 13.380 1.851 ( -2.833 -7.428 6.309) 10.149 1.971 ( -8.869 -3.693 -2.087) 9.831 2.159 ( -5.951 -3.965 1.696) 7.350 2.354 ( 1.594 -0.592 2.331) 2.885 2.672 ( 1.096 -3.796 0.621) 4.000 2.759 ( -2.470 -4.279 -3.194) 5.883 2.853 ( -5.721 -0.044 1.559) 5.930 3.189 ( 4.443 1.470 0.561) 4.714 3.258 ( -4.955 -4.629 -2.515) 7.232 3.427 ( -3.021 -1.443 1.379) 3.621 3.640 ( 1.429 -2.868 4.449) 5.483 3.843 ( 9.998 -9.893 0.487) 14.073 3.938 ( 8.388 -4.650 -2.407) 9.888 4.466 ( 1.502 -11.781 -0.812) 11.904 4.753 ( 1.225 -3.715 -2.052) 4.417 4.872 ( 0.982 -7.357 -0.841) 7.470 5.414 ( 0.778 -1.981 -1.652) 2.695 6.034 ( -1.823 -1.409 0.432) 2.344 6.080 ( -0.288 -0.087 -1.175) 1.213 6.736 ( -1.358 6.559 0.450) 6.713 6.785 ( 1.868 6.365 -0.781) 6.679 6.903 ( 0.122 7.183 0.092) 7.184 7.014 ( 0.090 7.367 -1.091) 7.448 7.071 ( -0.649 4.952 1.931) 5.355 7.106 ( -3.557 6.653 -1.434) 7.679 7.236 ( 0.101 1.778 -1.325) 2.220 7.273 ( 0.564 3.984 0.249) 4.032 7.364 ( 0.540 2.746 1.422) 3.140 7.461 ( -2.548 0.633 -1.094) 2.844 7.511 ( -0.295 4.254 -0.512) 4.295 7.664 ( -0.475 1.871 1.220) 2.284 7.853 ( -0.252 2.077 -0.732) 2.217 8.502 ( 0.790 0.071 -1.799) 1.966 8.559 ( 1.252 1.647 -0.255) 2.085 ======================= Grid point 208 (80/231) ======================= q-point: ( 0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -6.848 -6.096 1.506) 9.291 1.919 ( -1.682 -10.023 4.908) 11.287 1.966 ( -5.315 -7.125 0.544) 8.906 2.076 ( -3.344 -8.717 4.153) 10.218 2.185 ( -4.453 -1.413 3.422) 5.791 2.382 ( 1.658 -1.191 2.172) 2.981 2.765 ( -0.845 -4.564 -0.854) 4.720 2.795 ( -4.051 1.591 0.169) 4.355 2.808 ( 0.274 -2.034 -0.866) 2.228 3.100 ( -1.710 8.331 -3.252) 9.105 3.248 ( -2.404 1.557 -1.150) 3.087 3.402 ( -1.377 1.675 4.891) 5.350 3.627 ( 1.062 4.726 2.711) 5.551 3.943 ( 7.056 4.523 -1.886) 8.591 3.963 ( 5.964 3.248 -2.333) 7.180 4.715 ( 0.471 -11.290 -0.043) 11.300 4.852 ( 0.861 -4.841 -1.413) 5.116 5.070 ( 0.897 -10.318 -0.847) 10.392 5.530 ( 1.513 -7.758 -1.985) 8.149 6.113 ( -0.487 -5.959 0.961) 6.056 6.146 ( 0.274 -5.793 -1.581) 6.011 6.630 ( -0.717 3.414 0.486) 3.522 6.672 ( 1.306 4.964 -0.974) 5.225 6.777 ( -0.017 4.454 -0.394) 4.472 6.857 ( 1.187 7.762 0.061) 7.852 6.939 ( -3.181 7.412 -1.436) 8.192 6.964 ( -1.754 5.788 2.062) 6.390 7.171 ( -0.651 2.662 -3.058) 4.106 7.256 ( 0.722 0.155 1.253) 1.454 7.350 ( 0.909 -0.843 1.222) 1.740 7.425 ( -1.130 3.654 -0.696) 3.888 7.456 ( -1.908 -1.189 -1.093) 2.500 7.607 ( -0.305 3.614 1.972) 4.128 7.820 ( -0.230 1.109 -0.623) 1.293 8.503 ( 0.764 0.100 -1.832) 1.987 8.537 ( 1.006 1.227 -0.564) 1.684 ======================= Grid point 209 (81/231) ======================= q-point: ( 0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.708 -3.943 0.396) 4.026 2.048 ( -2.458 -6.407 1.661) 7.061 2.131 ( -3.797 -8.041 3.256) 9.470 2.170 ( -5.063 -2.872 1.837) 6.104 2.264 ( 2.723 -7.780 10.102) 13.038 2.417 ( 0.937 -1.368 -0.202) 1.670 2.717 ( -2.884 3.979 -4.776) 6.853 2.837 ( -1.864 -2.955 -2.418) 4.249 2.852 ( 3.597 5.172 4.953) 8.014 2.939 ( -4.493 -2.195 -3.555) 6.135 3.229 ( -1.192 -1.333 -0.672) 1.911 3.365 ( 3.260 2.875 6.454) 7.782 3.519 ( -1.449 4.459 1.273) 4.858 3.828 ( 3.771 7.406 -2.239) 8.607 3.879 ( 1.667 6.508 -3.540) 7.594 4.889 ( -1.857 -5.888 -1.859) 6.448 4.915 ( 2.146 -0.196 1.319) 2.527 5.240 ( 0.400 -5.338 -0.947) 5.436 5.662 ( 0.897 -3.322 -2.496) 4.251 6.201 ( -0.445 -2.077 0.594) 2.206 6.256 ( 0.632 -3.013 -1.282) 3.335 6.578 ( -0.678 1.819 0.377) 1.978 6.619 ( 1.282 0.368 -0.028) 1.334 6.733 ( -0.339 3.128 -1.415) 3.450 6.776 ( 1.254 -1.383 0.899) 2.072 6.797 ( -0.916 4.379 -0.791) 4.544 6.851 ( -1.489 2.717 1.594) 3.484 7.140 ( 0.007 0.015 -3.093) 3.093 7.258 ( 0.539 -0.120 1.054) 1.190 7.362 ( -0.734 1.709 -0.631) 1.964 7.393 ( 0.068 -2.557 -0.823) 2.687 7.484 ( -0.269 -1.729 -0.183) 1.760 7.534 ( -0.334 2.902 2.684) 3.967 7.806 ( -0.044 0.184 -0.509) 0.543 8.501 ( 0.417 0.301 -1.583) 1.664 8.516 ( 0.390 1.181 -0.903) 1.537 ======================= Grid point 210 (82/231) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.949 3.496 0.987) 3.754 2.122 ( 0.549 -0.788 4.208) 4.316 2.197 ( -0.309 -3.517 4.572) 5.777 2.290 ( -5.491 -6.602 -2.920) 9.070 2.430 ( 0.552 -1.171 -1.246) 1.797 2.488 ( 7.253 -8.913 11.221) 16.061 2.578 ( -2.316 5.321 -6.364) 8.612 2.751 ( 1.804 5.097 3.723) 6.565 2.900 ( -0.314 -3.753 -3.751) 5.316 3.040 ( 1.094 -5.919 2.395) 6.478 3.281 ( -2.911 -3.473 -0.242) 4.538 3.344 ( 4.044 0.428 3.694) 5.494 3.480 ( -1.009 -0.685 2.002) 2.344 3.719 ( 2.108 4.711 -1.410) 5.350 3.755 ( -4.349 3.864 -4.852) 7.575 4.852 ( -0.208 6.340 0.255) 6.349 4.935 ( 0.280 1.561 -0.226) 1.601 5.254 ( -0.255 4.177 -1.289) 4.379 5.641 ( -0.359 4.782 -2.149) 5.255 6.185 ( 0.649 3.353 -0.494) 3.451 6.246 ( -0.979 3.059 -0.407) 3.238 6.557 ( -0.930 -0.768 -0.850) 1.475 6.644 ( 1.530 -0.622 1.800) 2.443 6.684 ( -0.091 -0.542 -1.181) 1.302 6.760 ( -0.285 -0.621 -0.640) 0.936 6.835 ( 1.064 -5.743 1.017) 5.929 6.925 ( 0.593 -6.184 1.210) 6.329 7.165 ( 0.095 -2.577 -3.963) 4.728 7.276 ( 0.693 -1.458 1.175) 1.997 7.353 ( 0.528 -0.821 -0.500) 1.097 7.418 ( -1.843 -0.082 -0.774) 2.000 7.494 ( 2.464 -0.623 1.027) 2.741 7.550 ( -1.389 -3.316 0.605) 3.646 7.811 ( 0.156 -0.678 -0.466) 0.837 8.491 ( 0.176 1.067 -1.057) 1.513 8.499 ( -0.167 0.053 -1.194) 1.207 ======================= Grid point 211 (83/231) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 1.238 10.486 6.231) 12.261 2.127 ( 1.438 1.910 2.678) 3.590 2.234 ( 0.880 0.667 4.603) 4.733 2.324 ( -3.717 -0.060 -4.581) 5.900 2.398 ( -2.068 3.729 -5.582) 7.024 2.483 ( -0.826 2.633 -1.800) 3.294 2.616 ( -0.653 3.428 2.171) 4.110 2.808 ( 8.720 -10.136 9.898) 16.636 2.958 ( 2.671 -1.183 -4.234) 5.144 3.161 ( 0.141 -4.037 3.603) 5.413 3.324 ( -0.483 -2.641 1.873) 3.273 3.356 ( -1.214 1.492 2.380) 3.060 3.497 ( 2.334 0.354 -0.403) 2.395 3.647 ( 1.519 3.854 -1.424) 4.381 3.699 ( -6.424 -0.492 -1.957) 6.734 4.675 ( -0.072 10.545 0.457) 10.556 4.846 ( 0.070 6.455 -1.255) 6.577 5.084 ( -0.933 11.301 -1.310) 11.415 5.513 ( -0.811 6.119 -1.996) 6.487 6.110 ( 1.234 3.625 -0.874) 3.928 6.155 ( -0.808 4.523 0.231) 4.601 6.608 ( 0.021 -4.620 -0.708) 4.674 6.685 ( -0.081 -3.882 1.237) 4.075 6.761 ( 0.532 -5.837 -0.594) 5.891 6.829 ( 0.722 -5.807 -1.393) 6.015 6.966 ( 0.902 -5.927 2.232) 6.397 7.045 ( 0.570 -5.250 1.448) 5.476 7.224 ( -0.400 -3.535 -4.207) 5.510 7.312 ( -0.854 -1.652 -0.580) 1.948 7.385 ( 0.283 -1.236 0.973) 1.598 7.425 ( 0.167 -2.113 0.393) 2.155 7.529 ( 0.933 -1.401 -1.768) 2.442 7.614 ( -0.616 -3.289 0.931) 3.473 7.831 ( 0.196 -1.281 -0.540) 1.404 8.470 ( 0.222 0.883 -0.900) 1.280 8.506 ( -0.279 -1.065 -1.014) 1.497 ======================= Grid point 212 (84/231) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.946 14.304 8.622) 16.728 2.033 ( -0.470 8.132 0.910) 8.196 2.146 ( -3.605 14.940 -1.537) 15.445 2.210 ( 1.250 2.972 4.519) 5.552 2.346 ( -3.556 -1.370 -4.946) 6.244 2.401 ( -1.385 5.296 -1.335) 5.635 2.596 ( -1.391 -0.989 -2.843) 3.316 2.911 ( 2.712 5.687 1.267) 6.427 3.003 ( 5.141 0.357 1.121) 5.274 3.125 ( -4.436 8.118 5.985) 11.018 3.284 ( 3.258 5.136 3.057) 6.807 3.389 ( 0.543 -2.063 0.126) 2.137 3.463 ( 3.742 4.143 1.031) 5.677 3.549 ( -0.314 6.518 -0.420) 6.539 3.631 ( -1.595 6.143 1.190) 6.457 4.453 ( -0.480 11.314 -2.066) 11.511 4.727 ( 0.140 4.058 -1.735) 4.415 4.866 ( -0.537 7.677 -0.499) 7.711 5.433 ( -0.803 0.679 -2.317) 2.545 6.080 ( 0.711 -0.555 -0.579) 1.072 6.097 ( -0.494 0.418 0.114) 0.657 6.730 ( 0.366 -6.948 -0.352) 6.967 6.794 ( -0.854 -6.553 1.194) 6.716 6.894 ( 0.578 -6.731 0.140) 6.757 6.979 ( 2.095 -8.183 -1.526) 8.583 7.082 ( -0.098 -5.429 2.088) 5.817 7.145 ( 0.451 -4.522 1.570) 4.809 7.291 ( -0.491 -3.470 -3.675) 5.078 7.330 ( -1.645 -1.021 -1.246) 2.303 7.408 ( -1.365 -1.698 0.956) 2.379 7.483 ( 1.244 -2.535 -0.628) 2.893 7.560 ( -0.442 -2.146 -0.957) 2.391 7.666 ( 0.028 -1.725 0.459) 1.786 7.863 ( 0.127 -1.914 -0.643) 2.023 8.461 ( 0.724 0.152 -0.613) 0.961 8.539 ( -0.314 -2.446 -1.163) 2.727 ======================= Grid point 213 (85/231) ======================= q-point: (-0.08 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 2.023 15.480 11.477) 19.376 1.722 ( -8.099 21.354 0.882) 22.855 1.836 ( -3.022 11.729 -2.993) 12.476 2.167 ( 1.242 4.145 5.345) 6.877 2.241 ( -2.692 8.153 -6.262) 10.627 2.338 ( -2.416 1.692 -1.940) 3.531 2.591 ( 0.055 3.740 0.672) 3.800 2.663 ( 5.829 19.456 1.006) 20.335 2.834 ( -1.054 14.838 4.405) 15.514 2.895 ( 1.202 12.905 1.612) 13.061 3.110 ( 2.261 14.801 0.308) 14.976 3.252 ( 0.494 15.859 0.291) 15.869 3.368 ( -0.141 9.973 -0.078) 9.974 3.481 ( 1.137 4.512 2.417) 5.244 3.523 ( 1.000 -2.512 0.634) 2.777 4.252 ( 0.227 6.662 -1.832) 6.913 4.692 ( 0.386 -0.015 -1.855) 1.895 4.822 ( 0.104 -2.750 0.361) 2.776 5.470 ( -0.332 -4.261 -2.700) 5.055 6.122 ( -0.629 -3.268 -0.223) 3.335 6.144 ( -0.167 -4.733 -0.590) 4.773 6.858 ( 0.218 -4.892 -0.491) 4.921 6.906 ( -0.604 -4.162 1.676) 4.527 7.038 ( 0.118 -7.675 0.582) 7.697 7.144 ( 1.917 -5.749 -0.860) 6.121 7.181 ( -1.477 -4.467 0.792) 4.771 7.236 ( 0.792 -4.408 1.071) 4.605 7.335 ( -2.126 -2.126 -1.873) 3.543 7.359 ( 0.774 -2.735 -1.455) 3.193 7.441 ( -0.550 -1.859 0.885) 2.131 7.543 ( 0.219 -3.718 -0.320) 3.738 7.623 ( -1.059 -4.549 -0.402) 4.688 7.681 ( -0.177 -0.053 -0.620) 0.647 7.911 ( 0.127 -2.950 -0.697) 3.034 8.474 ( 1.189 -1.136 -0.190) 1.655 8.598 ( -0.464 -3.645 -1.656) 4.031 ======================= Grid point 217 (86/231) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 10.257 -0.000 12.074) 15.842 1.107 ( 21.223 -0.000 9.013) 23.057 1.117 ( -1.061 0.000 -6.227) 6.317 1.604 ( 3.492 -0.000 -10.415) 10.985 1.704 ( 22.535 -0.000 24.136) 33.021 1.904 ( 5.231 -0.000 -7.032) 8.764 2.024 ( -1.842 0.000 2.146) 2.828 2.165 ( -8.764 0.000 -2.807) 9.202 2.245 ( 2.614 -0.000 1.197) 2.875 2.370 ( 1.982 -0.000 -1.109) 2.272 2.413 ( 0.201 -0.000 3.574) 3.580 2.466 ( 2.504 -0.000 0.298) 2.522 2.808 ( -1.471 0.000 -4.640) 4.868 3.387 ( 2.575 -0.000 3.878) 4.655 3.629 ( -5.912 0.000 -3.551) 6.896 4.229 ( -1.276 0.000 1.747) 2.164 4.703 ( -2.756 0.000 -1.403) 3.093 5.059 ( -0.841 0.000 0.849) 1.195 5.690 ( 0.061 -0.000 -3.355) 3.355 6.262 ( 0.182 -0.000 -0.756) 0.778 6.333 ( -0.024 0.000 -1.387) 1.387 6.926 ( -0.218 0.000 -0.068) 0.229 6.957 ( 0.773 -0.000 0.975) 1.245 7.168 ( 0.583 -0.000 0.174) 0.609 7.220 ( 1.889 -0.000 -0.554) 1.969 7.358 ( 1.251 -0.000 0.044) 1.252 7.419 ( 2.920 -0.000 0.737) 3.012 7.420 ( 1.168 -0.000 3.925) 4.095 7.482 ( -0.677 0.000 -2.405) 2.499 7.592 ( -2.427 0.000 -1.429) 2.817 7.738 ( 3.848 -0.000 3.802) 5.409 7.796 ( 0.442 -0.000 -2.351) 2.392 7.837 ( 0.895 -0.000 -2.457) 2.615 8.141 ( 1.571 -0.000 0.009) 1.571 8.585 ( -0.798 0.000 -0.235) 0.831 8.737 ( -0.768 0.000 -1.054) 1.305 ======================= Grid point 218 (87/231) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 10.553 -3.629 13.139) 17.239 1.147 ( -2.314 -4.306 -4.132) 6.401 1.324 ( 14.620 -6.563 13.609) 21.024 1.720 ( 3.203 -10.935 -7.826) 13.823 1.864 ( -1.314 1.621 -7.206) 7.502 2.053 ( 8.178 -16.534 11.901) 21.952 2.161 ( -6.920 -5.701 -1.800) 9.145 2.184 ( 5.009 -14.603 0.983) 15.470 2.414 ( 1.328 -5.109 1.362) 5.451 2.483 ( 4.264 -11.560 4.940) 13.274 2.535 ( 3.596 -12.963 -0.857) 13.480 2.595 ( 3.517 -12.622 -0.473) 13.111 2.857 ( -1.339 -7.159 -3.894) 8.258 3.415 ( 2.156 -1.262 3.468) 4.274 3.579 ( -5.118 1.463 -2.644) 5.944 4.218 ( -0.756 0.506 1.346) 1.624 4.684 ( -2.278 0.383 -1.186) 2.596 5.018 ( -1.154 3.458 0.246) 3.654 5.653 ( -0.019 3.410 -3.209) 4.682 6.238 ( 0.375 2.567 -0.455) 2.633 6.309 ( 0.320 2.388 -0.932) 2.583 6.930 ( -0.070 -0.377 -0.190) 0.428 6.962 ( 0.473 0.080 1.030) 1.136 7.167 ( 0.013 0.483 0.100) 0.494 7.229 ( 1.346 0.260 -0.597) 1.496 7.348 ( 1.830 2.330 1.045) 3.142 7.380 ( 0.780 3.942 -0.044) 4.019 7.405 ( -0.668 2.289 0.798) 2.514 7.492 ( 1.328 -0.273 -1.074) 1.730 7.559 ( -1.672 1.665 -1.091) 2.599 7.722 ( 3.463 3.766 3.867) 6.413 7.761 ( -0.226 3.208 -2.396) 4.010 7.814 ( 1.604 2.725 -1.999) 3.741 8.102 ( 1.180 4.400 -0.286) 4.564 8.563 ( -0.972 1.483 -0.838) 1.961 8.710 ( -0.291 2.216 -0.344) 2.261 ======================= Grid point 219 (88/231) ======================= q-point: ( 0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 5.612 -10.713 13.203) 17.904 1.272 ( -5.929 -10.466 -3.723) 12.592 1.533 ( 10.175 -7.085 15.561) 19.896 1.827 ( -10.981 -3.127 -9.070) 14.582 1.932 ( -0.995 -6.914 -0.419) 6.998 2.305 ( -1.490 -5.729 1.484) 6.102 2.340 ( -3.481 -13.752 -6.193) 15.478 2.453 ( -0.384 -10.659 6.301) 12.388 2.643 ( 6.774 -8.808 0.878) 11.147 2.741 ( 1.927 -15.369 -1.863) 15.601 2.842 ( 3.252 -17.759 1.483) 18.115 3.008 ( 3.111 -21.057 2.869) 21.478 3.134 ( 6.228 -18.549 -1.734) 19.643 3.468 ( 1.010 -3.185 2.727) 4.312 3.550 ( -1.341 -2.372 -1.304) 3.020 4.218 ( 0.198 -1.127 0.595) 1.289 4.672 ( -1.034 -0.401 -1.404) 1.789 4.920 ( -0.954 5.352 -0.500) 5.459 5.557 ( 0.009 5.573 -2.609) 6.154 6.163 ( -0.262 4.835 -0.098) 4.843 6.239 ( 0.288 4.684 -0.774) 4.756 6.932 ( 0.478 0.626 -0.272) 0.833 6.949 ( -0.198 1.861 1.025) 2.134 7.141 ( -1.257 2.059 0.209) 2.422 7.201 ( 0.487 4.191 -1.271) 4.407 7.251 ( 0.639 5.337 0.798) 5.434 7.328 ( -0.413 3.296 0.105) 3.323 7.334 ( -0.021 3.430 -0.490) 3.465 7.461 ( 0.323 3.393 -0.845) 3.512 7.525 ( 0.275 2.381 -1.179) 2.671 7.633 ( 1.899 6.516 2.949) 7.400 7.687 ( -0.657 2.858 -1.210) 3.172 7.744 ( 1.750 4.870 -0.870) 5.248 8.000 ( 0.447 5.463 -0.625) 5.516 8.526 ( -0.610 1.369 -1.546) 2.153 8.656 ( 0.401 2.970 0.231) 3.006 ======================= Grid point 220 (89/231) ======================= q-point: ( 0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.876 -12.152 8.863) 15.066 1.473 ( -8.246 -12.685 -1.330) 15.188 1.728 ( 6.658 -6.640 14.613) 17.378 1.831 ( -12.485 -4.285 -5.427) 14.272 2.038 ( -3.773 -5.338 0.898) 6.598 2.347 ( 0.334 -0.905 0.912) 1.328 2.562 ( -4.747 -8.545 -4.117) 10.606 2.640 ( 1.881 -6.916 1.126) 7.255 2.779 ( -1.357 -4.791 1.781) 5.289 3.047 ( -1.841 -13.122 -2.475) 13.480 3.166 ( 3.072 -8.860 0.138) 9.379 3.300 ( -2.427 -9.117 -0.517) 9.448 3.553 ( 0.779 -4.941 6.577) 8.263 3.583 ( 10.128 -19.416 0.224) 21.899 3.756 ( 4.424 -15.245 -2.363) 16.048 4.290 ( 1.146 -6.194 -0.280) 6.306 4.697 ( 0.365 -2.544 -2.125) 3.334 4.827 ( 0.028 2.370 -0.839) 2.514 5.448 ( 0.396 4.426 -1.648) 4.740 6.059 ( -1.263 4.330 0.205) 4.515 6.135 ( -0.128 4.971 -1.015) 5.075 6.864 ( -1.239 6.063 0.611) 6.218 6.899 ( 1.437 3.713 -0.585) 4.024 7.048 ( -0.318 6.858 0.602) 6.891 7.101 ( -1.121 3.469 -1.682) 4.015 7.180 ( 0.107 3.702 0.598) 3.752 7.210 ( -1.291 6.563 -1.391) 6.832 7.285 ( 0.277 2.674 0.885) 2.830 7.378 ( 0.720 5.299 -0.864) 5.417 7.448 ( 0.287 4.080 -0.685) 4.147 7.507 ( -0.534 5.890 1.573) 6.119 7.612 ( 1.135 5.603 -0.322) 5.726 7.683 ( -0.738 0.798 0.344) 1.140 7.908 ( -0.050 3.661 -0.812) 3.750 8.506 ( 0.021 0.351 -2.076) 2.106 8.605 ( 0.956 2.385 0.383) 2.598 ======================= Grid point 221 (90/231) ======================= q-point: ( 0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -9.118 -11.585 -1.832) 14.856 1.666 ( -2.128 -10.903 6.568) 12.905 1.878 ( 4.090 -4.381 10.411) 12.013 1.888 ( -6.810 -7.390 0.909) 10.090 2.110 ( -3.853 -3.794 1.838) 5.711 2.368 ( 0.487 -1.057 2.118) 2.417 2.658 ( -2.712 -4.739 -2.765) 6.120 2.750 ( 0.427 -3.656 -1.349) 3.920 2.805 ( -3.709 0.384 0.199) 3.734 3.199 ( -3.540 -1.032 -3.063) 4.794 3.243 ( 3.841 -0.819 1.029) 4.060 3.388 ( -4.388 -1.455 0.253) 4.630 3.659 ( 0.880 -3.187 4.358) 5.470 3.926 ( 5.872 -9.091 -0.445) 10.832 4.008 ( 5.751 -4.870 -1.905) 7.773 4.480 ( 1.320 -11.556 -0.369) 11.637 4.763 ( 1.258 -3.890 -1.840) 4.484 4.881 ( 0.853 -7.527 -0.992) 7.639 5.422 ( 1.149 -2.341 -1.123) 2.839 6.018 ( -1.361 -1.757 0.467) 2.271 6.075 ( -0.243 -0.143 -1.375) 1.404 6.722 ( -1.224 6.455 -0.124) 6.571 6.803 ( 1.815 6.271 -0.777) 6.575 6.902 ( -0.540 7.331 -0.188) 7.353 7.012 ( -0.222 5.725 -1.157) 5.844 7.058 ( -2.066 6.995 -0.336) 7.301 7.082 ( -0.801 6.243 0.798) 6.344 7.233 ( 0.116 3.201 -1.870) 3.709 7.283 ( 0.893 2.996 1.343) 3.403 7.379 ( 1.589 3.212 1.812) 4.016 7.434 ( -2.079 0.561 -0.540) 2.220 7.507 ( -0.259 4.844 -0.645) 4.893 7.660 ( -0.675 1.705 1.144) 2.161 7.850 ( -0.184 2.112 -0.769) 2.255 8.505 ( 0.450 -0.136 -2.214) 2.264 8.571 ( 1.019 1.662 0.040) 1.950 ======================= Grid point 222 (91/231) ======================= q-point: ( 0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -4.531 -9.278 1.587) 10.447 1.889 ( -3.116 -11.586 2.554) 12.267 1.961 ( 1.520 -2.399 3.656) 4.629 2.051 ( -2.586 -9.577 5.075) 11.143 2.161 ( -1.436 -2.995 5.274) 6.233 2.400 ( 1.129 -1.443 2.700) 3.263 2.734 ( -3.132 -4.217 -3.561) 6.346 2.758 ( -3.390 1.827 -1.187) 4.030 2.816 ( -0.027 -3.584 -1.786) 4.005 3.076 ( -1.219 9.257 -2.687) 9.716 3.240 ( 0.704 2.023 0.304) 2.164 3.387 ( -2.501 -0.579 3.119) 4.039 3.639 ( 0.326 5.396 2.881) 6.126 3.997 ( 4.025 5.206 -2.133) 6.918 4.008 ( 3.094 4.089 -1.888) 5.464 4.712 ( -0.709 -10.365 -1.422) 10.486 4.868 ( 2.242 -5.033 0.418) 5.526 5.075 ( 0.365 -10.147 -1.180) 10.222 5.542 ( 1.489 -7.683 -1.644) 7.997 6.107 ( -0.910 -6.181 0.583) 6.275 6.148 ( 0.624 -6.381 -1.355) 6.553 6.620 ( -1.045 3.102 -0.272) 3.284 6.688 ( 1.737 5.360 -0.191) 5.638 6.771 ( -1.015 4.438 -1.222) 4.714 6.871 ( 1.253 7.459 0.653) 7.592 6.909 ( -1.967 6.549 -1.397) 6.979 6.950 ( -1.306 6.418 1.587) 6.739 7.167 ( 0.570 2.642 -2.230) 3.504 7.263 ( 0.483 0.416 1.379) 1.519 7.356 ( -0.384 -0.426 0.176) 0.600 7.415 ( -0.389 3.472 -0.837) 3.593 7.443 ( -0.288 -1.241 0.125) 1.280 7.607 ( -0.402 3.347 2.017) 3.929 7.817 ( -0.115 1.060 -0.646) 1.247 8.507 ( 0.477 0.093 -2.026) 2.084 8.545 ( 0.628 1.434 -0.494) 1.642 ======================= Grid point 223 (92/231) ======================= q-point: ( 0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 1.488 -4.489 -0.185) 4.733 2.018 ( -3.253 -7.354 1.514) 8.183 2.105 ( -1.799 -9.857 2.649) 10.364 2.140 ( -1.980 -0.845 4.704) 5.173 2.319 ( 4.735 -10.869 11.376) 16.431 2.429 ( 1.240 -0.340 0.673) 1.451 2.668 ( -4.865 4.911 -7.376) 10.109 2.793 ( -3.702 -3.329 -2.283) 5.477 2.888 ( -2.049 0.377 -1.968) 2.866 2.928 ( 5.428 0.302 3.393) 6.408 3.216 ( -1.187 -0.582 -0.504) 1.415 3.396 ( 0.657 -0.684 4.578) 4.675 3.504 ( -1.425 6.287 1.291) 6.575 3.845 ( 0.339 8.619 -3.264) 9.222 3.896 ( 2.273 7.863 -2.204) 8.477 4.856 ( -2.770 -4.520 -2.719) 5.958 4.953 ( 3.614 -1.296 2.543) 4.605 5.238 ( -0.369 -5.181 -1.389) 5.376 5.668 ( 0.959 -2.769 -2.258) 3.699 6.197 ( -0.462 -2.437 0.419) 2.515 6.259 ( 0.358 -2.366 -1.225) 2.688 6.565 ( -1.322 1.979 -0.410) 2.415 6.642 ( 2.394 0.190 1.318) 2.739 6.723 ( -1.141 1.205 -1.851) 2.486 6.786 ( 0.359 1.757 0.492) 1.860 6.791 ( -0.091 3.359 -0.780) 3.450 6.842 ( -0.624 1.124 1.781) 2.197 7.140 ( 0.817 0.201 -2.453) 2.593 7.265 ( 0.608 -0.257 1.049) 1.239 7.354 ( -0.775 0.921 -0.611) 1.350 7.386 ( -0.757 -1.511 -1.842) 2.500 7.483 ( -0.094 -2.433 0.071) 2.436 7.538 ( 0.325 3.097 3.040) 4.352 7.805 ( 0.045 0.100 -0.497) 0.509 8.502 ( 0.290 0.387 -1.678) 1.746 8.518 ( 0.208 1.393 -0.852) 1.646 ======================= Grid point 224 (93/231) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 1.441 2.999 2.682) 4.274 2.133 ( 0.516 -0.413 3.709) 3.767 2.174 ( -5.442 -6.945 0.375) 8.831 2.247 ( -1.875 -4.385 2.874) 5.569 2.421 ( -1.401 1.151 -3.944) 4.341 2.537 ( -1.734 3.856 -4.734) 6.347 2.603 ( 8.439 -11.031 12.067) 18.399 2.768 ( 0.321 4.992 2.680) 5.675 2.888 ( -0.599 -3.989 -4.095) 5.748 3.047 ( -0.641 -6.855 1.765) 7.107 3.248 ( -2.660 -2.830 0.321) 3.897 3.395 ( 3.760 1.672 2.909) 5.039 3.469 ( -1.473 -3.299 2.227) 4.244 3.691 ( -3.664 4.757 -4.720) 7.638 3.762 ( 3.902 6.240 -1.956) 7.615 4.841 ( -1.493 4.813 -0.138) 5.041 4.952 ( 2.392 3.261 0.496) 4.074 5.244 ( -1.158 4.344 -1.734) 4.818 5.638 ( 0.333 5.292 -2.053) 5.686 6.192 ( 0.739 2.889 -0.562) 3.035 6.237 ( -0.660 3.381 -0.383) 3.466 6.547 ( -0.753 -1.188 -0.658) 1.553 6.664 ( 1.634 0.133 1.969) 2.562 6.680 ( -0.249 -0.655 -1.479) 1.637 6.756 ( -0.269 -0.981 -0.937) 1.383 6.847 ( 0.711 -6.327 1.549) 6.552 6.929 ( -0.304 -6.407 1.230) 6.532 7.161 ( 0.198 -2.054 -3.348) 3.933 7.279 ( -0.416 -0.924 0.206) 1.034 7.362 ( 1.079 -1.552 -0.133) 1.895 7.398 ( -1.572 -0.359 -1.167) 1.991 7.515 ( 0.877 -0.274 1.092) 1.427 7.538 ( -0.855 -3.387 0.506) 3.530 7.812 ( 0.104 -0.714 -0.452) 0.851 8.492 ( 0.253 1.183 -0.929) 1.525 8.496 ( 0.126 0.066 -1.291) 1.299 ======================= Grid point 225 (94/231) ======================= q-point: (-0.15 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.614 10.410 7.222) 12.685 2.140 ( 0.205 1.920 3.039) 3.600 2.244 ( -1.600 -1.276 3.147) 3.753 2.263 ( -4.996 -0.823 -4.444) 6.737 2.354 ( -4.858 5.336 -4.287) 8.393 2.466 ( -2.641 3.178 -1.503) 4.397 2.616 ( 0.310 4.458 2.522) 5.131 2.891 ( 4.446 -8.141 6.561) 11.362 2.965 ( 0.161 -3.317 -4.053) 5.240 3.136 ( -5.012 -2.407 3.964) 6.828 3.304 ( -0.515 -3.323 3.791) 5.067 3.405 ( 4.584 0.255 1.425) 4.807 3.528 ( 4.279 -0.461 0.856) 4.389 3.639 ( -2.860 -0.430 -1.915) 3.469 3.685 ( 4.935 3.789 -2.353) 6.652 4.674 ( -0.051 10.555 0.785) 10.584 4.851 ( 1.030 7.014 -1.594) 7.266 5.070 ( -1.254 11.071 -1.498) 11.242 5.505 ( -0.111 6.485 -2.166) 6.839 6.119 ( 0.810 3.680 -0.989) 3.896 6.147 ( -0.636 4.379 0.393) 4.442 6.608 ( 0.167 -4.981 -0.498) 5.009 6.684 ( -0.329 -3.279 0.839) 3.401 6.765 ( 0.308 -6.007 -0.304) 6.023 6.834 ( 0.635 -6.395 -1.445) 6.587 6.977 ( 0.404 -5.652 2.609) 6.238 7.052 ( 0.148 -5.611 1.761) 5.883 7.211 ( -0.846 -3.292 -3.859) 5.143 7.295 ( -2.056 -1.264 -1.285) 2.735 7.378 ( -1.386 -0.492 0.341) 1.510 7.435 ( 1.320 -2.969 0.278) 3.262 7.531 ( -0.122 -0.777 -1.634) 1.813 7.609 ( -0.648 -3.710 1.064) 3.913 7.832 ( 0.012 -1.280 -0.541) 1.390 8.473 ( 0.658 0.743 -0.768) 1.255 8.504 ( 0.203 -0.948 -1.110) 1.474 ======================= Grid point 226 (95/231) ======================= q-point: (-0.08 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.055 13.783 9.460) 16.750 2.011 ( -4.356 10.239 0.771) 11.154 2.077 ( -8.427 15.179 -1.493) 17.426 2.231 ( 0.779 1.850 4.730) 5.138 2.288 ( -5.514 -2.425 -5.904) 8.434 2.372 ( -3.820 4.922 -1.633) 6.441 2.589 ( 0.753 0.162 -0.496) 0.916 2.913 ( -3.062 4.891 1.867) 6.065 3.034 ( 2.102 -0.625 -3.696) 4.298 3.080 ( -5.547 6.306 5.860) 10.241 3.341 ( 5.785 3.626 3.419) 7.636 3.411 ( 0.588 1.601 3.338) 3.749 3.483 ( 4.160 7.606 1.765) 8.847 3.600 ( 5.376 4.384 -0.282) 6.943 3.635 ( 4.603 5.384 -0.354) 7.092 4.446 ( -0.077 11.643 -2.119) 11.835 4.729 ( 0.701 4.116 -1.851) 4.567 4.861 ( -0.260 7.242 -0.576) 7.270 5.422 ( -0.543 0.771 -2.486) 2.659 6.085 ( 0.263 -0.485 -0.673) 0.870 6.088 ( -1.088 0.589 0.209) 1.255 6.735 ( 0.606 -6.938 -0.199) 6.968 6.785 ( -1.160 -6.494 0.859) 6.653 6.898 ( 0.134 -6.759 0.229) 6.764 6.996 ( 1.588 -8.769 -1.231) 8.996 7.081 ( -0.694 -4.785 2.085) 5.265 7.157 ( 1.124 -4.526 2.283) 5.193 7.270 ( -2.369 -3.211 -3.941) 5.609 7.311 ( -1.585 -1.859 -1.509) 2.872 7.393 ( -1.672 -1.881 0.589) 2.584 7.494 ( 1.008 -2.129 -0.683) 2.453 7.548 ( -1.549 -1.956 -1.241) 2.787 7.666 ( -0.125 -1.859 0.840) 2.044 7.863 ( -0.056 -1.934 -0.656) 2.043 8.470 ( 1.203 -0.015 -0.457) 1.287 8.536 ( 0.164 -2.239 -1.298) 2.593 ======================= Grid point 231 (96/231) ======================= q-point: ( 0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 6.308 -0.000 5.926) 8.655 1.138 ( 4.785 -0.000 5.681) 7.428 1.321 ( 17.769 -0.000 5.621) 18.637 1.631 ( 4.459 -0.000 -7.743) 8.935 1.875 ( 1.900 -0.000 -8.693) 8.898 1.999 ( -3.593 0.000 1.483) 3.887 1.999 ( 16.902 -0.000 12.130) 20.804 2.098 ( -2.814 0.000 2.754) 3.938 2.272 ( 2.214 -0.000 0.574) 2.287 2.389 ( 1.997 -0.000 -1.126) 2.293 2.425 ( 0.522 -0.000 5.636) 5.660 2.491 ( 2.101 -0.000 0.230) 2.113 2.786 ( -1.204 0.000 -4.250) 4.417 3.415 ( 1.505 -0.000 1.739) 2.299 3.565 ( -5.147 0.000 -0.568) 5.179 4.220 ( -0.983 0.000 1.186) 1.541 4.674 ( -2.461 0.000 -0.750) 2.573 5.046 ( -1.680 0.000 -0.187) 1.690 5.685 ( -0.134 0.000 -3.422) 3.424 6.268 ( 1.170 -0.000 -0.218) 1.190 6.335 ( 0.642 -0.000 -0.466) 0.793 6.923 ( -0.311 0.000 -0.293) 0.428 6.966 ( 0.650 -0.000 1.143) 1.315 7.174 ( 0.515 -0.000 -0.108) 0.526 7.239 ( 1.694 -0.000 -0.370) 1.734 7.373 ( 1.632 -0.000 0.096) 1.634 7.426 ( -1.010 0.000 1.095) 1.489 7.448 ( 2.436 -0.000 0.566) 2.501 7.477 ( 0.424 -0.000 -1.613) 1.668 7.569 ( -1.653 0.000 -0.898) 1.881 7.783 ( 3.108 -0.000 3.108) 4.395 7.792 ( -0.159 0.000 -2.411) 2.416 7.849 ( 2.001 -0.000 -1.664) 2.602 8.156 ( 1.174 -0.000 -0.433) 1.251 8.571 ( -1.461 0.000 -1.306) 1.960 8.732 ( -0.150 0.000 0.374) 0.403 ======================= Grid point 232 (97/231) ======================= q-point: ( 0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 5.482 -4.431 7.713) 10.449 1.136 ( 2.801 0.055 4.566) 5.356 1.503 ( 15.309 -5.076 11.605) 19.870 1.710 ( -4.231 -4.293 -8.434) 10.367 1.842 ( 0.723 -1.229 -6.609) 6.761 2.043 ( -6.282 -5.906 -3.640) 9.359 2.147 ( 1.702 -10.587 6.484) 12.531 2.263 ( 6.057 -12.647 2.313) 14.212 2.430 ( 1.466 -7.175 0.664) 7.353 2.539 ( 4.541 -12.207 6.781) 14.684 2.572 ( 3.447 -11.249 0.619) 11.782 2.638 ( 4.761 -16.181 0.244) 16.869 2.839 ( -0.738 -8.248 -3.481) 8.983 3.427 ( -0.858 -0.890 -1.665) 2.074 3.538 ( -1.962 0.466 3.397) 3.950 4.212 ( -0.665 0.214 0.821) 1.078 4.661 ( -1.717 0.025 -0.693) 1.852 5.002 ( -1.780 3.297 -0.796) 3.830 5.647 ( -0.130 3.332 -3.220) 4.635 6.246 ( 1.160 2.939 0.131) 3.162 6.314 ( 0.759 2.490 -0.226) 2.613 6.928 ( -0.158 -0.589 -0.366) 0.712 6.969 ( 0.377 0.310 1.154) 1.253 7.167 ( -0.019 0.984 -0.123) 0.992 7.241 ( 1.084 0.706 -0.373) 1.347 7.367 ( 1.369 1.444 0.644) 2.091 7.374 ( -1.096 4.679 -2.627) 5.477 7.409 ( 0.790 3.241 2.209) 4.001 7.502 ( 0.829 -0.036 -1.137) 1.407 7.545 ( -0.698 0.938 -0.793) 1.413 7.748 ( -1.208 3.231 -2.823) 4.457 7.762 ( 2.830 4.195 3.248) 6.013 7.833 ( 2.373 2.667 -0.993) 3.706 8.111 ( 0.712 4.605 -0.638) 4.703 8.548 ( -1.376 1.272 -1.843) 2.629 8.711 ( 0.226 2.075 0.939) 2.288 ======================= Grid point 233 (98/231) ======================= q-point: ( 0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -7.051 -8.789 -2.261) 11.492 1.256 ( 7.890 -7.878 13.494) 17.505 1.658 ( -0.639 -4.072 3.349) 5.311 1.706 ( -0.186 -2.836 4.437) 5.269 1.925 ( -0.258 -4.399 -0.102) 4.407 2.248 ( -5.770 -14.164 -6.906) 16.781 2.340 ( 1.224 -4.351 -0.640) 4.565 2.458 ( -0.166 -11.698 6.418) 13.344 2.702 ( 4.766 -5.145 -0.005) 7.013 2.748 ( 0.357 -14.620 -2.485) 14.834 2.872 ( 2.017 -17.771 0.622) 17.896 3.016 ( -1.623 -18.557 1.910) 18.726 3.223 ( 9.922 -22.942 0.782) 25.008 3.457 ( -2.616 -4.719 -4.143) 6.803 3.554 ( 1.141 -2.724 5.846) 6.550 4.220 ( -0.078 -1.605 0.371) 1.649 4.661 ( -0.558 -0.893 -1.221) 1.612 4.907 ( -1.292 4.892 -1.352) 5.237 5.554 ( 0.190 5.378 -2.370) 5.880 6.164 ( 0.400 5.515 0.397) 5.543 6.241 ( 0.437 4.968 -0.557) 5.018 6.934 ( -0.009 0.673 -0.220) 0.708 6.950 ( 0.154 1.856 0.814) 2.033 7.128 ( -1.122 2.665 -0.194) 2.898 7.204 ( 0.337 4.434 -1.153) 4.593 7.254 ( -0.071 5.166 0.120) 5.168 7.325 ( -0.082 4.858 -0.148) 4.861 7.338 ( 0.619 2.533 0.259) 2.620 7.462 ( 0.122 3.116 -0.635) 3.182 7.523 ( -0.228 2.789 -2.069) 3.480 7.657 ( 1.583 7.073 2.865) 7.794 7.678 ( -0.638 2.134 -1.070) 2.471 7.761 ( 1.671 5.596 -0.391) 5.853 8.002 ( 0.175 5.700 -0.765) 5.754 8.515 ( -0.857 0.990 -2.309) 2.654 8.662 ( 0.640 2.785 1.119) 3.069 ======================= Grid point 234 (99/231) ======================= q-point: ( 0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -9.413 -12.160 -2.476) 15.576 1.475 ( 4.573 -9.277 10.088) 14.448 1.703 ( -10.556 -6.702 -1.702) 12.619 1.838 ( 9.138 -3.943 14.123) 17.277 2.011 ( -1.368 -4.517 1.412) 4.927 2.344 ( -0.927 -1.521 -0.544) 1.862 2.507 ( -4.322 -9.386 -5.179) 11.558 2.656 ( 0.553 -6.585 1.700) 6.824 2.773 ( -0.088 -2.109 0.082) 2.112 3.027 ( -1.060 -11.914 -1.336) 12.035 3.194 ( 2.359 -9.779 -0.623) 10.079 3.271 ( -3.078 -8.494 -1.135) 9.106 3.561 ( -0.523 -5.025 4.201) 6.571 3.671 ( 6.013 -17.069 1.317) 18.145 3.789 ( 2.583 -17.880 -1.537) 18.131 4.300 ( 0.812 -6.663 0.155) 6.714 4.697 ( 0.293 -2.965 -2.313) 3.772 4.825 ( -0.062 1.595 -1.106) 1.942 5.452 ( 0.793 4.132 -1.198) 4.375 6.051 ( -0.402 4.895 0.528) 4.940 6.132 ( -0.096 5.223 -1.193) 5.358 6.853 ( -1.024 6.332 0.191) 6.418 6.912 ( 1.199 3.413 -0.650) 3.675 7.039 ( -1.343 6.084 0.263) 6.236 7.090 ( -0.462 4.410 -1.782) 4.779 7.183 ( 0.384 3.852 0.770) 3.947 7.199 ( -0.677 7.030 -1.496) 7.219 7.289 ( 0.210 2.705 0.885) 2.854 7.385 ( 0.762 5.224 -0.527) 5.306 7.446 ( -0.186 2.525 -0.992) 2.719 7.511 ( 0.568 7.682 2.246) 8.024 7.624 ( 1.214 6.445 -0.114) 6.559 7.674 ( -1.176 0.548 0.177) 1.309 7.906 ( -0.042 3.758 -0.852) 3.853 8.501 ( -0.241 -0.017 -2.513) 2.524 8.615 ( 0.806 2.313 0.804) 2.578 ======================= Grid point 235 (100/231) ======================= q-point: ( 0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -7.711 -12.541 -1.246) 14.775 1.682 ( 2.744 -9.029 6.064) 11.217 1.835 ( -4.068 -9.908 3.671) 11.323 1.948 ( 5.785 -2.048 9.306) 11.148 2.091 ( -0.338 -3.703 4.254) 5.650 2.371 ( -0.418 -1.756 1.401) 2.284 2.622 ( -3.066 -5.279 -4.550) 7.614 2.738 ( -2.668 -2.156 -0.743) 3.510 2.785 ( -0.031 -0.042 -1.872) 1.873 3.162 ( -2.424 -0.854 -2.707) 3.733 3.286 ( 4.001 -0.047 0.477) 4.030 3.342 ( -4.235 -1.849 0.141) 4.623 3.669 ( -0.415 -3.361 4.175) 5.376 3.962 ( 1.378 -8.773 -1.272) 8.971 4.049 ( 2.551 -4.829 -1.489) 5.660 4.491 ( 0.800 -11.054 -0.026) 11.083 4.772 ( 1.104 -4.642 -1.675) 5.057 4.886 ( 0.531 -7.458 -1.020) 7.546 5.434 ( 1.328 -2.540 -0.678) 2.945 6.008 ( -0.679 -1.689 0.426) 1.870 6.072 ( -0.027 -0.330 -1.473) 1.510 6.711 ( -0.893 6.426 -0.447) 6.503 6.818 ( 1.430 6.116 -0.931) 6.349 6.891 ( -1.305 7.434 -0.464) 7.561 7.004 ( -1.056 4.471 -1.207) 4.750 7.040 ( -0.951 7.923 -0.877) 8.028 7.083 ( 0.415 6.607 1.058) 6.704 7.236 ( 0.763 3.225 -0.804) 3.411 7.295 ( 0.976 3.063 1.345) 3.485 7.388 ( -0.857 4.093 1.007) 4.302 7.429 ( 1.463 0.009 0.661) 1.606 7.504 ( -0.117 5.280 -0.726) 5.331 7.654 ( -0.762 1.503 1.068) 1.995 7.847 ( -0.048 2.128 -0.799) 2.273 8.504 ( 0.083 -0.348 -2.411) 2.437 8.579 ( 0.572 1.759 0.154) 1.856 ======================= Grid point 236 (101/231) ======================= q-point: (-0.31 -0.69 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -2.117 -11.432 0.996) 11.669 1.881 ( 0.707 -9.828 3.177) 10.353 1.986 ( 2.236 -1.993 1.715) 3.451 2.052 ( 1.317 -8.259 8.357) 11.823 2.171 ( 1.430 -4.852 7.575) 9.109 2.413 ( 0.617 -2.001 2.634) 3.365 2.700 ( -2.236 -4.285 -4.335) 6.493 2.711 ( -5.208 2.189 -4.275) 7.085 2.804 ( -0.853 -2.088 -3.151) 3.875 3.073 ( 0.827 6.063 -0.571) 6.146 3.258 ( 2.504 3.799 0.535) 4.581 3.363 ( -2.848 -1.592 1.906) 3.779 3.641 ( -0.878 5.557 2.921) 6.339 4.018 ( -0.626 5.018 -2.000) 5.438 4.020 ( 1.124 4.575 -2.003) 5.119 4.699 ( -1.273 -9.199 -1.548) 9.415 4.895 ( 2.563 -5.816 0.747) 6.400 5.074 ( -0.083 -9.904 -1.167) 9.973 5.554 ( 1.225 -7.524 -1.364) 7.744 6.097 ( -1.073 -6.194 0.138) 6.287 6.154 ( 0.775 -6.704 -1.024) 6.826 6.610 ( -0.741 3.182 -0.415) 3.293 6.704 ( 1.214 5.026 0.067) 5.171 6.755 ( -1.353 4.749 -1.678) 5.216 6.879 ( -0.193 7.076 0.300) 7.085 6.893 ( -0.613 5.794 -0.986) 5.910 6.947 ( 0.490 6.889 1.190) 7.008 7.176 ( 1.602 2.748 -1.075) 3.358 7.270 ( 0.423 0.491 1.196) 1.360 7.343 ( -1.734 0.091 -0.486) 1.804 7.413 ( 0.172 3.493 -0.882) 3.607 7.452 ( 1.571 -1.075 0.625) 2.004 7.606 ( -0.380 3.008 2.117) 3.698 7.816 ( 0.051 1.020 -0.659) 1.215 8.507 ( 0.114 0.013 -2.109) 2.112 8.548 ( 0.163 1.574 -0.474) 1.652 ======================= Grid point 237 (102/231) ======================= q-point: (-0.23 -0.69 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -2.020 -8.770 0.794) 9.035 2.014 ( 2.402 -1.542 0.985) 3.019 2.100 ( -0.631 -9.364 3.838) 10.140 2.141 ( 0.458 -0.651 5.486) 5.543 2.395 ( 6.178 -12.259 9.964) 16.963 2.444 ( 1.498 -0.641 2.242) 2.771 2.599 ( -5.710 4.489 -8.364) 11.077 2.760 ( -1.998 -2.988 -2.131) 4.178 2.859 ( -2.650 -3.862 -2.600) 5.357 2.994 ( 5.629 3.510 3.015) 7.287 3.206 ( -0.422 0.778 0.274) 0.926 3.388 ( -2.912 -2.785 2.036) 4.514 3.499 ( -0.209 6.892 1.974) 7.172 3.830 ( -2.004 9.683 -3.320) 10.430 3.912 ( 1.269 6.852 -1.992) 7.248 4.828 ( -1.951 -4.263 -1.572) 4.944 4.991 ( 2.894 -1.527 1.372) 3.548 5.230 ( -0.693 -4.846 -1.276) 5.058 5.674 ( 0.805 -2.528 -2.143) 3.410 6.192 ( -0.459 -2.984 0.311) 3.035 6.260 ( 0.301 -1.900 -1.116) 2.224 6.554 ( -0.745 2.087 0.036) 2.217 6.666 ( 1.714 0.824 0.552) 1.980 6.705 ( -1.529 -1.173 -1.418) 2.393 6.787 ( -0.406 3.697 -0.591) 3.766 6.789 ( 0.205 2.404 -0.430) 2.451 6.845 ( 0.526 1.203 2.057) 2.440 7.149 ( 1.483 0.638 -1.484) 2.193 7.270 ( -0.139 -0.117 0.236) 0.298 7.345 ( -0.426 -0.571 -0.732) 1.022 7.378 ( -0.148 -0.278 -1.297) 1.335 7.480 ( -0.446 -1.282 0.029) 1.358 7.549 ( 0.742 2.337 2.823) 3.739 7.805 ( 0.132 0.074 -0.488) 0.511 8.502 ( 0.132 0.340 -1.691) 1.730 8.518 ( 0.033 1.397 -0.850) 1.636 ======================= Grid point 238 (103/231) ======================= q-point: (-0.15 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.564 3.482 4.143) 5.633 2.103 ( -6.342 -5.366 -0.863) 8.352 2.151 ( 0.740 -1.043 4.256) 4.444 2.241 ( -1.343 -4.138 5.129) 6.725 2.391 ( -2.709 2.976 -6.115) 7.320 2.512 ( -1.788 2.315 -3.389) 4.477 2.706 ( 6.552 -7.229 11.837) 15.340 2.769 ( 0.243 0.643 1.306) 1.476 2.869 ( -2.405 -2.880 -3.529) 5.151 3.041 ( -0.394 -4.914 0.754) 4.987 3.234 ( -0.708 -3.096 2.771) 4.215 3.398 ( -3.618 -0.006 -1.769) 4.027 3.477 ( 2.272 -4.189 4.315) 6.429 3.664 ( 0.106 4.797 -3.993) 6.242 3.799 ( 3.817 5.081 -2.555) 6.849 4.828 ( -0.809 3.787 0.810) 3.957 4.975 ( 1.898 4.197 -0.716) 4.661 5.228 ( -1.194 4.573 -1.434) 4.939 5.641 ( 0.819 5.497 -2.178) 5.970 6.198 ( 0.481 2.566 -0.195) 2.617 6.233 ( 0.076 3.603 -0.668) 3.665 6.541 ( -0.239 -1.470 -0.128) 1.495 6.673 ( -0.592 -1.061 -1.843) 2.207 6.684 ( 1.634 1.090 1.969) 2.781 6.752 ( -0.165 -1.260 -1.272) 1.798 6.853 ( -0.113 -6.773 1.523) 6.943 6.922 ( -1.435 -6.481 1.087) 6.726 7.161 ( 0.614 -1.313 -2.143) 2.587 7.269 ( -1.321 -0.246 -0.843) 1.586 7.369 ( 0.070 -0.721 -0.719) 1.020 7.388 ( -0.015 -1.455 -0.373) 1.502 7.512 ( -1.216 -2.163 0.924) 2.648 7.539 ( 0.507 -1.151 0.631) 1.408 7.812 ( 0.028 -0.670 -0.456) 0.811 8.493 ( 0.220 0.859 -1.001) 1.337 8.498 ( 0.528 0.164 -1.228) 1.346 ======================= Grid point 239 (104/231) ======================= q-point: (-0.08 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.116 10.157 7.539) 12.649 2.137 ( -2.396 4.082 3.683) 5.997 2.166 ( -7.938 -4.610 -4.189) 10.090 2.258 ( -0.700 2.712 0.110) 2.803 2.284 ( -7.075 5.850 0.294) 9.185 2.421 ( -5.041 3.776 -1.820) 6.557 2.637 ( 2.902 3.719 3.061) 5.623 2.915 ( -0.844 -4.278 1.128) 4.504 2.944 ( -3.440 -3.796 -1.736) 5.409 3.102 ( -2.046 -1.275 3.516) 4.263 3.324 ( 2.399 -5.302 7.153) 9.221 3.411 ( -2.716 -1.790 -2.823) 4.307 3.586 ( 3.025 -3.518 4.436) 6.419 3.645 ( 6.850 0.433 -2.540) 7.319 3.746 ( 7.320 3.103 -3.570) 8.715 4.678 ( 0.470 10.580 1.398) 10.682 4.859 ( 0.917 7.327 -2.636) 7.840 5.056 ( -0.736 10.699 -1.127) 10.784 5.504 ( 0.556 6.991 -2.309) 7.384 6.122 ( -0.107 3.944 -0.482) 3.975 6.144 ( 0.060 4.583 -0.064) 4.584 6.611 ( 0.549 -5.254 -0.066) 5.283 6.681 ( -0.539 -2.739 0.254) 2.804 6.767 ( 0.161 -5.958 -0.031) 5.960 6.837 ( 0.577 -6.901 -1.414) 7.068 6.982 ( -0.198 -5.564 2.601) 6.145 7.048 ( -1.492 -6.592 1.080) 6.844 7.200 ( -0.069 -2.536 -2.218) 3.370 7.268 ( -2.550 -0.823 -2.087) 3.396 7.363 ( -1.581 -0.277 0.202) 1.618 7.446 ( 0.599 -3.089 -0.047) 3.147 7.521 ( -1.118 -0.173 -1.671) 2.018 7.606 ( -0.370 -3.911 1.442) 4.185 7.830 ( -0.146 -1.250 -0.552) 1.374 8.481 ( 0.931 0.475 -0.848) 1.346 8.507 ( 0.714 -0.868 -1.085) 1.562 ======================= Grid point 245 (105/231) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 4.823 -0.000 6.483) 8.081 1.211 ( 5.958 -0.000 11.063) 12.566 1.479 ( 10.993 -0.000 0.836) 11.025 1.674 ( 5.797 -0.000 -3.007) 6.530 1.823 ( -5.323 0.000 -14.924) 15.845 1.956 ( -4.773 0.000 0.752) 4.832 2.078 ( 0.167 -0.000 -0.682) 0.702 2.205 ( 13.540 -0.000 13.572) 19.172 2.291 ( 1.293 -0.000 0.089) 1.296 2.406 ( 1.585 -0.000 -1.079) 1.918 2.439 ( 0.342 -0.000 7.984) 7.991 2.509 ( 1.206 -0.000 0.091) 1.209 2.775 ( 0.255 -0.000 -2.802) 2.813 3.412 ( -1.815 0.000 -4.164) 4.542 3.540 ( -0.296 0.000 6.815) 6.822 4.212 ( -0.899 0.000 0.553) 1.055 4.653 ( -1.449 0.000 -0.253) 1.471 5.025 ( -2.106 0.000 -1.237) 2.442 5.677 ( -0.283 0.000 -3.568) 3.580 6.284 ( 1.815 -0.000 0.486) 1.879 6.344 ( 1.117 -0.000 0.377) 1.178 6.919 ( -0.355 0.000 -0.455) 0.577 6.974 ( 0.425 -0.000 1.232) 1.303 7.178 ( 0.321 -0.000 -0.263) 0.415 7.253 ( 1.134 -0.000 -0.367) 1.192 7.390 ( 1.419 -0.000 0.222) 1.436 7.406 ( -2.369 0.000 -1.842) 3.001 7.470 ( 1.530 -0.000 0.398) 1.581 7.483 ( 0.740 -0.000 -0.684) 1.008 7.556 ( -0.599 0.000 -0.170) 0.623 7.774 ( -1.667 0.000 -3.452) 3.833 7.822 ( 2.628 -0.000 3.027) 4.009 7.872 ( 2.663 -0.000 -0.529) 2.715 8.163 ( 0.469 -0.000 -0.903) 1.017 8.553 ( -1.506 0.000 -2.166) 2.639 8.735 ( 0.310 -0.000 1.510) 1.541 ======================= Grid point 246 (106/231) ======================= q-point: ( 0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -1.489 -0.502 4.155) 4.442 1.229 ( 9.291 -0.717 13.061) 16.044 1.606 ( -12.013 3.241 -8.551) 15.097 1.661 ( 11.760 -7.283 6.229) 15.170 1.862 ( 4.167 -6.903 -4.168) 9.077 1.976 ( -5.104 -0.712 -2.547) 5.748 2.183 ( 3.338 -13.372 5.014) 14.666 2.292 ( -0.084 -6.372 -0.516) 6.394 2.440 ( 0.076 -9.946 -1.316) 10.033 2.579 ( 1.435 -12.092 3.042) 12.551 2.607 ( 2.004 -9.936 4.204) 10.973 2.683 ( 2.926 -15.837 1.237) 16.152 2.841 ( 2.186 -11.227 -1.241) 11.505 3.399 ( -1.997 -0.393 -5.746) 6.096 3.550 ( 1.620 -0.149 9.008) 9.153 4.206 ( -0.866 0.018 0.227) 0.895 4.648 ( -0.549 -0.176 -0.354) 0.677 4.981 ( -1.971 3.116 -1.766) 4.088 5.640 ( -0.114 3.148 -3.267) 4.538 6.261 ( 1.582 3.324 0.775) 3.762 6.324 ( 1.091 2.716 0.374) 2.950 6.926 ( -0.227 -0.753 -0.478) 0.920 6.974 ( 0.224 0.448 1.215) 1.315 7.166 ( -0.139 1.370 -0.274) 1.404 7.249 ( 0.672 0.942 -0.274) 1.189 7.349 ( -2.258 3.701 -2.916) 5.224 7.384 ( 1.222 1.671 0.248) 2.084 7.421 ( 0.855 3.947 1.651) 4.363 7.505 ( 0.114 0.557 -1.178) 1.308 7.542 ( 0.103 0.459 -0.609) 0.769 7.726 ( -2.047 3.158 -3.117) 4.887 7.792 ( 2.096 4.334 2.698) 5.518 7.857 ( 2.363 2.862 -0.102) 3.713 8.114 ( 0.055 4.672 -0.980) 4.774 8.531 ( -1.223 1.119 -2.479) 2.982 8.717 ( 0.525 1.999 1.746) 2.706 ======================= Grid point 247 (107/231) ======================= q-point: ( 0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -6.921 -6.636 0.481) 9.600 1.365 ( 9.076 -5.932 13.056) 16.971 1.524 ( -13.972 -3.806 -4.748) 15.239 1.833 ( 9.949 -2.642 11.156) 15.180 1.931 ( 2.315 -3.907 1.068) 4.665 2.185 ( -3.833 -14.929 -7.043) 16.946 2.339 ( -1.347 -2.256 -1.355) 2.956 2.474 ( 1.343 -11.959 5.603) 13.275 2.737 ( 0.089 -4.710 1.010) 4.818 2.753 ( 3.199 -13.160 -3.154) 13.905 2.884 ( 0.245 -17.628 -0.538) 17.638 2.988 ( -4.189 -18.400 1.176) 18.908 3.305 ( 2.979 -25.117 1.246) 25.323 3.429 ( 1.036 -4.984 -5.827) 7.737 3.579 ( 1.171 -1.767 8.552) 8.810 4.217 ( -0.438 -2.076 0.079) 2.124 4.657 ( 0.198 -1.027 -1.195) 1.588 4.891 ( -1.276 4.380 -1.940) 4.957 5.554 ( 0.436 5.044 -2.213) 5.526 6.172 ( 0.928 6.066 0.883) 6.200 6.246 ( 0.576 5.385 -0.404) 5.431 6.932 ( -0.337 1.085 -0.159) 1.147 6.953 ( 0.241 1.478 0.629) 1.624 7.117 ( -0.846 3.222 -0.464) 3.363 7.203 ( -0.166 5.017 -1.396) 5.211 7.251 ( -0.339 3.544 0.012) 3.560 7.326 ( 0.173 5.903 -0.682) 5.945 7.346 ( 0.792 2.591 1.043) 2.903 7.463 ( 0.263 2.754 -0.531) 2.817 7.513 ( -0.895 3.377 -2.363) 4.218 7.661 ( -1.127 1.770 0.039) 2.098 7.683 ( 1.250 6.766 1.459) 7.033 7.776 ( 1.430 6.254 0.042) 6.416 8.001 ( -0.104 5.722 -0.881) 5.790 8.503 ( -0.765 0.720 -2.689) 2.887 8.671 ( 0.660 2.739 1.534) 3.209 ======================= Grid point 248 (108/231) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -7.879 -11.923 -1.258) 14.347 1.547 ( 5.363 -7.540 7.554) 11.945 1.616 ( -5.440 -9.621 4.190) 11.820 1.929 ( 3.445 -3.413 4.928) 6.914 2.041 ( 7.372 -3.173 8.787) 11.901 2.329 ( -1.312 -2.262 -1.780) 3.163 2.457 ( -3.876 -9.506 -4.678) 11.282 2.656 ( -0.688 -5.663 0.287) 5.712 2.774 ( 0.259 -0.985 -0.624) 1.194 3.024 ( 0.758 -10.881 -0.333) 10.912 3.210 ( 0.734 -11.758 -1.366) 11.860 3.235 ( -3.304 -7.430 -1.286) 8.233 3.554 ( -2.038 -6.558 2.849) 7.435 3.705 ( 0.110 -13.672 1.576) 13.762 3.808 ( 1.540 -19.032 -0.857) 19.113 4.307 ( 0.472 -7.195 0.389) 7.221 4.696 ( 0.210 -2.973 -2.532) 3.911 4.822 ( -0.093 0.838 -1.115) 1.398 5.460 ( 1.072 3.821 -0.924) 4.075 6.053 ( 0.552 5.356 0.790) 5.442 6.130 ( 0.025 5.466 -1.309) 5.620 6.844 ( -0.679 6.492 -0.058) 6.528 6.921 ( 0.768 3.124 -0.637) 3.280 7.024 ( -1.412 5.874 -0.086) 6.042 7.082 ( -0.728 4.996 -1.659) 5.315 7.185 ( -0.339 7.027 -1.931) 7.295 7.197 ( 0.989 4.137 0.850) 4.338 7.293 ( 0.257 2.829 1.184) 3.078 7.392 ( 0.627 4.850 -0.369) 4.905 7.444 ( -0.049 1.831 -0.122) 1.835 7.522 ( 0.912 7.941 1.638) 8.159 7.635 ( 0.631 7.632 -0.067) 7.658 7.662 ( -0.940 -0.202 0.158) 0.974 7.904 ( 0.023 3.758 -0.869) 3.857 8.494 ( -0.402 -0.265 -2.666) 2.709 8.623 ( 0.496 2.389 0.918) 2.607 ======================= Grid point 249 (109/231) ======================= q-point: (-0.31 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -3.953 -14.215 -0.366) 14.759 1.736 ( 5.581 -7.623 4.719) 10.561 1.820 ( -0.179 -11.447 6.865) 13.349 2.008 ( 3.372 -2.397 3.179) 5.218 2.132 ( 6.366 -1.488 10.943) 12.747 2.367 ( -0.632 -2.514 0.733) 2.694 2.582 ( -3.055 -5.679 -5.279) 8.333 2.706 ( -2.703 -0.435 -2.642) 3.805 2.786 ( 0.524 -0.402 -2.106) 2.207 3.140 ( -1.168 0.156 -2.488) 2.753 3.302 ( -2.646 -3.061 0.323) 4.059 3.328 ( 2.996 -0.316 -0.000) 3.013 3.663 ( -1.958 -3.390 4.043) 5.627 3.952 ( -2.720 -8.935 -1.540) 9.466 4.054 ( -1.142 -4.618 -1.477) 4.981 4.496 ( 0.149 -10.307 0.200) 10.310 4.779 ( 0.593 -5.703 -1.720) 5.987 4.889 ( 0.202 -7.265 -0.857) 7.318 5.446 ( 1.249 -2.545 -0.428) 2.867 6.006 ( 0.141 -1.149 0.332) 1.205 6.071 ( 0.301 -0.636 -1.421) 1.585 6.703 ( -0.439 6.429 -0.529) 6.466 6.829 ( 0.813 6.068 -0.942) 6.195 6.876 ( -1.334 7.449 -0.591) 7.590 6.986 ( -1.993 4.659 -1.446) 5.270 7.036 ( 0.164 7.287 -0.732) 7.326 7.094 ( 1.603 6.914 0.642) 7.126 7.245 ( 0.895 2.648 0.250) 2.806 7.307 ( 1.083 3.393 1.078) 3.722 7.376 ( -1.145 4.050 1.145) 4.362 7.454 ( 2.726 0.314 0.629) 2.815 7.503 ( 0.066 5.477 -0.783) 5.533 7.648 ( -0.676 1.314 1.037) 1.806 7.846 ( 0.139 2.125 -0.807) 2.277 8.499 ( -0.295 -0.509 -2.436) 2.506 8.583 ( 0.056 1.908 0.145) 1.914 ======================= Grid point 250 (110/231) ======================= q-point: (-0.23 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -0.726 -12.748 0.063) 12.769 1.910 ( 3.591 -7.410 3.356) 8.892 2.018 ( 3.925 -3.574 1.593) 5.543 2.104 ( 5.560 -5.013 10.394) 12.809 2.212 ( 3.906 -6.313 9.338) 11.929 2.422 ( 0.447 -2.503 2.324) 3.445 2.636 ( -6.807 1.396 -6.159) 9.285 2.679 ( -0.493 -2.674 -6.006) 6.593 2.796 ( 0.166 -0.793 -2.695) 2.814 3.084 ( 1.141 2.932 0.464) 3.181 3.290 ( 3.336 4.990 0.091) 6.003 3.337 ( -2.465 -1.434 1.383) 3.169 3.630 ( -2.129 5.251 2.874) 6.354 3.988 ( -4.493 4.746 -2.228) 6.905 4.015 ( -1.528 4.130 -1.919) 4.803 4.684 ( -1.169 -8.540 -0.895) 8.666 4.917 ( 1.443 -6.535 -0.226) 6.697 5.072 ( 0.010 -9.696 -0.591) 9.714 5.562 ( 0.679 -7.294 -1.235) 7.429 6.087 ( -0.837 -5.981 -0.110) 6.040 6.160 ( 0.718 -6.723 -0.786) 6.806 6.604 ( -0.281 3.217 -0.317) 3.245 6.709 ( -0.501 4.719 0.118) 4.747 6.743 ( -0.131 5.042 -1.747) 5.337 6.866 ( -1.831 5.605 -0.651) 5.933 6.896 ( 0.933 6.687 -0.337) 6.761 6.963 ( 1.974 6.911 0.949) 7.250 7.194 ( 2.016 2.768 -0.219) 3.431 7.273 ( -0.332 0.771 0.433) 0.945 7.330 ( -0.383 0.316 0.364) 0.616 7.415 ( 0.493 3.319 -0.790) 3.447 7.471 ( 1.842 -0.261 -0.115) 1.864 7.606 ( -0.221 2.605 2.233) 3.438 7.816 ( 0.231 1.004 -0.655) 1.221 8.503 ( -0.252 -0.134 -2.079) 2.099 8.546 ( -0.290 1.624 -0.494) 1.722 ======================= Grid point 251 (111/231) ======================= q-point: (-0.15 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -0.704 -6.625 0.555) 6.686 2.049 ( 3.469 -1.848 2.215) 4.512 2.104 ( 0.576 -7.136 5.226) 8.864 2.162 ( 1.633 0.187 5.961) 6.183 2.430 ( -0.143 0.088 -2.097) 2.103 2.507 ( 7.874 -12.816 11.269) 18.794 2.536 ( -3.925 2.371 -6.149) 7.671 2.745 ( -0.290 -2.857 -2.435) 3.765 2.822 ( -3.657 -2.506 -3.336) 5.548 3.047 ( 3.593 3.220 2.098) 5.261 3.211 ( 1.054 2.153 1.503) 2.829 3.352 ( -3.854 -1.757 0.472) 4.262 3.502 ( -0.062 5.041 2.144) 5.479 3.796 ( -3.523 8.793 -3.103) 9.968 3.914 ( -0.320 5.269 -2.326) 5.768 4.812 ( -0.807 -4.367 -0.269) 4.449 5.012 ( 0.985 -1.673 -0.508) 2.007 5.223 ( -0.079 -4.433 -0.482) 4.460 5.677 ( 0.341 -2.598 -2.202) 3.423 6.188 ( -0.482 -3.562 0.229) 3.602 6.262 ( 0.350 -1.739 -0.922) 1.999 6.551 ( -0.009 2.126 0.667) 2.228 6.670 ( -0.976 1.682 -2.345) 3.047 6.694 ( -0.234 -2.883 0.653) 2.966 6.779 ( -0.650 2.593 -0.875) 2.813 6.795 ( 0.779 2.925 -0.124) 3.030 6.857 ( 1.194 3.033 1.835) 3.741 7.163 ( 1.548 1.148 -0.898) 2.126 7.262 ( -1.152 0.056 -0.810) 1.409 7.346 ( 0.633 -1.299 -0.335) 1.483 7.380 ( 0.941 0.390 -0.392) 1.092 7.474 ( -0.732 -0.041 -0.005) 0.733 7.560 ( 0.600 1.883 2.234) 2.983 7.806 ( 0.188 0.120 -0.491) 0.539 8.500 ( -0.008 0.159 -1.618) 1.626 8.516 ( -0.123 1.201 -0.901) 1.507 ======================= Grid point 252 (112/231) ======================= q-point: (-0.08 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -3.531 0.949 2.246) 4.291 2.054 ( -0.656 0.576 2.220) 2.385 2.169 ( 1.293 -0.147 5.252) 5.411 2.229 ( -2.600 -4.322 5.351) 7.353 2.350 ( -3.137 4.381 -6.593) 8.514 2.484 ( -3.073 3.352 -2.349) 5.118 2.736 ( -0.679 2.686 4.151) 4.991 2.815 ( 3.930 -5.651 4.681) 8.324 2.830 ( -2.144 -5.587 -1.078) 6.081 3.044 ( 0.501 -2.710 -0.635) 2.828 3.240 ( 0.648 -3.585 4.928) 6.129 3.341 ( -5.810 -0.774 -2.802) 6.497 3.507 ( 1.881 -3.971 3.221) 5.448 3.680 ( 3.777 1.341 -2.762) 4.868 3.831 ( 3.153 3.085 -3.400) 5.570 4.828 ( 0.413 3.185 1.962) 3.763 4.983 ( -0.003 4.429 -2.644) 5.159 5.219 ( -0.165 4.859 -0.563) 4.895 5.647 ( 0.955 5.325 -2.448) 5.938 6.201 ( 0.217 2.432 0.461) 2.484 6.236 ( 0.681 3.664 -1.161) 3.903 6.543 ( 0.472 -1.574 0.555) 1.734 6.662 ( -1.074 -1.001 -2.216) 2.658 6.704 ( 1.643 1.031 1.977) 2.770 6.749 ( 0.134 -1.122 -1.537) 1.908 6.848 ( -1.163 -7.134 0.863) 7.280 6.904 ( -2.147 -5.857 1.145) 6.342 7.164 ( 0.371 -0.854 -1.600) 1.851 7.254 ( -1.011 0.147 -1.102) 1.503 7.366 ( -0.078 0.568 -0.671) 0.883 7.390 ( 0.156 -1.885 -0.034) 1.892 7.501 ( -0.928 -2.634 0.723) 2.885 7.543 ( -0.066 -0.381 0.799) 0.887 7.811 ( -0.051 -0.568 -0.477) 0.743 8.494 ( 0.344 0.489 -1.152) 1.298 8.502 ( 0.667 0.010 -1.121) 1.304 ======================= Grid point 259 (113/231) ======================= q-point: ( 0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.482 -0.000 10.178) 10.189 1.291 ( 6.346 -0.000 11.525) 13.157 1.534 ( -0.269 0.000 -3.573) 3.584 1.742 ( -6.197 0.000 -13.035) 14.433 1.745 ( 7.577 -0.000 1.586) 7.741 1.912 ( -3.214 0.000 0.250) 3.223 2.068 ( -1.717 0.000 -2.036) 2.663 2.297 ( -0.100 0.000 -0.354) 0.368 2.309 ( 3.458 -0.000 3.631) 5.014 2.416 ( 0.601 -0.000 -0.993) 1.160 2.462 ( 1.397 -0.000 11.455) 11.540 2.516 ( 0.214 -0.000 -0.047) 0.219 2.786 ( 2.314 -0.000 -0.230) 2.325 3.388 ( -0.121 0.000 -5.629) 5.630 3.567 ( 2.168 -0.000 10.485) 10.707 4.202 ( -1.247 0.000 -0.162) 1.257 4.646 ( 0.210 -0.000 0.103) 0.234 5.001 ( -2.059 0.000 -2.197) 3.011 5.668 ( -0.238 0.000 -3.697) 3.705 6.305 ( 1.857 -0.000 1.137) 2.178 6.359 ( 1.503 -0.000 1.048) 1.832 6.915 ( -0.316 0.000 -0.546) 0.631 6.979 ( 0.166 -0.000 1.264) 1.274 7.179 ( -0.048 0.000 -0.361) 0.364 7.261 ( 0.458 -0.000 -0.396) 0.606 7.375 ( -2.811 0.000 -3.013) 4.121 7.401 ( 0.647 -0.000 0.334) 0.728 7.480 ( 0.357 -0.000 0.274) 0.451 7.487 ( 0.294 -0.000 -1.258) 1.292 7.556 ( 0.535 -0.000 0.523) 0.748 7.747 ( -2.343 0.000 -3.469) 4.187 7.848 ( 1.733 -0.000 2.377) 2.942 7.898 ( 2.282 -0.000 0.262) 2.297 8.162 ( -0.371 0.000 -1.293) 1.345 8.535 ( -1.048 0.000 -2.604) 2.807 8.742 ( 0.592 -0.000 2.079) 2.161 ======================= Grid point 260 (114/231) ======================= q-point: (-0.46 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -3.610 2.330 8.007) 9.087 1.338 ( 5.731 -2.158 11.272) 12.828 1.456 ( -12.465 5.636 -4.686) 14.460 1.741 ( 2.727 -11.869 -4.186) 12.877 1.915 ( 5.755 -9.905 2.202) 11.665 1.939 ( -0.754 5.677 -0.975) 5.809 2.226 ( 3.198 -17.442 4.274) 18.241 2.273 ( -2.821 -3.410 -2.373) 5.022 2.423 ( -2.832 -10.352 -2.414) 11.000 2.584 ( -1.127 -11.529 2.470) 11.844 2.616 ( -0.853 -10.306 2.506) 10.640 2.699 ( 0.206 -12.330 0.778) 12.356 2.866 ( 1.475 -12.464 0.936) 12.586 3.391 ( 2.711 -0.495 -5.204) 5.889 3.586 ( 1.901 0.078 10.833) 10.999 4.194 ( -1.304 -0.181 -0.436) 1.387 4.650 ( 0.996 -0.117 -0.161) 1.015 4.958 ( -1.704 2.926 -2.500) 4.209 5.635 ( 0.073 2.897 -3.306) 4.397 6.279 ( 1.461 3.589 1.281) 4.081 6.337 ( 1.387 3.043 0.800) 3.439 6.922 ( -0.249 -0.824 -0.516) 1.004 6.977 ( 0.048 0.495 1.235) 1.332 7.163 ( -0.329 1.563 -0.393) 1.645 7.254 ( 0.282 0.929 -0.234) 0.999 7.319 ( -2.616 3.394 -3.078) 5.276 7.393 ( 0.387 1.381 0.256) 1.457 7.430 ( 0.579 3.843 1.000) 4.013 7.503 ( -0.250 0.516 -1.176) 1.308 7.543 ( 0.264 1.054 -0.674) 1.279 7.698 ( -2.407 2.919 -2.735) 4.668 7.813 ( 1.263 4.397 2.137) 5.049 7.879 ( 1.665 3.080 0.326) 3.516 8.109 ( -0.596 4.569 -1.210) 4.764 8.516 ( -0.728 1.064 -2.726) 3.016 8.726 ( 0.682 1.998 2.010) 2.915 ======================= Grid point 261 (115/231) ======================= q-point: (-0.38 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -6.866 -4.872 2.717) 8.846 1.382 ( -12.205 -6.901 -0.582) 14.033 1.481 ( 9.316 -5.195 12.543) 16.466 1.881 ( -0.220 -1.447 0.432) 1.526 2.006 ( 8.207 -7.962 2.780) 11.768 2.158 ( 0.855 -12.419 -1.526) 12.542 2.312 ( -3.053 -2.571 -1.433) 4.241 2.496 ( 1.074 -9.863 2.745) 10.294 2.727 ( -1.665 -9.225 1.750) 9.536 2.790 ( 4.087 -9.335 -2.031) 10.391 2.872 ( -2.353 -17.937 -1.923) 18.193 2.938 ( -5.278 -18.512 1.585) 19.314 3.272 ( -6.782 -20.894 -2.140) 22.072 3.476 ( 7.019 -8.815 -3.210) 11.716 3.600 ( 0.056 -0.578 9.790) 9.807 4.211 ( -0.789 -2.607 -0.281) 2.738 4.662 ( 1.034 -0.704 -1.327) 1.824 4.876 ( -0.916 3.906 -2.098) 4.527 5.556 ( 0.680 4.661 -2.171) 5.187 6.184 ( 1.155 6.313 1.208) 6.531 6.252 ( 0.700 5.884 -0.333) 5.935 6.928 ( -0.418 1.256 -0.191) 1.338 6.956 ( 0.084 1.361 0.656) 1.513 7.110 ( -0.400 3.524 -0.639) 3.604 7.194 ( -1.230 5.559 -1.837) 5.983 7.251 ( 0.326 1.662 0.446) 1.751 7.326 ( 0.173 6.483 -1.147) 6.585 7.356 ( 0.611 2.910 1.414) 3.293 7.465 ( 0.377 2.431 -0.596) 2.532 7.498 ( -1.342 3.486 -2.116) 4.293 7.646 ( -1.585 0.483 -0.230) 1.673 7.696 ( 0.734 7.559 1.350) 7.714 7.789 ( 0.962 6.550 0.288) 6.627 7.997 ( -0.295 5.517 -0.918) 5.601 8.492 ( -0.501 0.631 -2.767) 2.882 8.680 ( 0.579 2.829 1.541) 3.273 ======================= Grid point 262 (116/231) ======================= q-point: (-0.31 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -4.135 -12.750 0.612) 13.418 1.551 ( -2.617 -12.542 5.229) 13.838 1.658 ( 7.434 -6.775 9.539) 13.862 1.944 ( 0.512 -4.182 -1.063) 4.345 2.160 ( 10.373 -2.744 9.003) 14.006 2.321 ( 0.704 -2.144 0.363) 2.285 2.413 ( -3.234 -9.561 -3.839) 10.799 2.646 ( -0.785 -4.908 -1.535) 5.202 2.774 ( -0.190 -0.890 -0.606) 1.093 3.039 ( 1.821 -9.642 -0.345) 9.819 3.191 ( -3.282 -9.558 -1.098) 10.165 3.213 ( -1.055 -11.624 -1.598) 11.780 3.527 ( -3.803 -9.302 1.303) 10.134 3.687 ( -3.646 -11.031 3.041) 12.009 3.812 ( -0.848 -17.098 -0.964) 17.146 4.310 ( 0.025 -7.713 0.339) 7.721 4.694 ( 0.166 -2.571 -2.692) 3.727 4.820 ( -0.063 0.330 -0.908) 0.968 5.471 ( 1.155 3.567 -0.878) 3.851 6.064 ( 1.312 5.586 0.900) 5.808 6.129 ( 0.225 5.640 -1.318) 5.796 6.839 ( -0.238 6.528 -0.117) 6.534 6.925 ( 0.181 2.827 -0.338) 2.853 7.013 ( -0.642 6.230 -0.300) 6.270 7.069 ( -1.368 5.232 -1.787) 5.695 7.177 ( -0.429 7.487 -2.008) 7.763 7.215 ( 2.160 3.537 0.706) 4.204 7.297 ( 0.006 2.879 1.372) 3.189 7.396 ( 0.317 4.201 -0.368) 4.229 7.446 ( 0.418 1.722 0.909) 1.991 7.533 ( 0.784 7.283 0.723) 7.360 7.630 ( -1.329 5.283 -0.208) 5.452 7.662 ( 0.762 2.276 0.315) 2.421 7.904 ( 0.127 3.670 -0.849) 3.769 8.485 ( -0.498 -0.336 -2.618) 2.686 8.628 ( 0.149 2.592 0.806) 2.719 ======================= Grid point 263 (117/231) ======================= q-point: (-0.23 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.411 -15.003 0.683) 15.024 1.805 ( 6.598 -8.247 2.833) 10.935 1.854 ( 4.065 -11.382 9.748) 15.527 2.038 ( 2.611 -4.684 0.672) 5.405 2.241 ( 10.017 1.269 12.785) 16.292 2.364 ( 0.006 -2.858 0.709) 2.945 2.542 ( -2.919 -5.235 -5.375) 8.051 2.682 ( -0.679 0.557 -4.270) 4.359 2.788 ( 0.598 -0.671 -2.151) 2.331 3.127 ( -0.630 0.628 -2.125) 2.304 3.282 ( -1.127 -3.507 1.085) 3.840 3.355 ( 2.067 -1.752 -1.191) 2.960 3.641 ( -3.416 -3.295 3.996) 6.204 3.903 ( -6.108 -9.138 -1.339) 11.072 4.021 ( -4.857 -4.546 -1.701) 6.867 4.495 ( -0.396 -9.632 0.263) 9.643 4.778 ( -0.181 -6.423 -1.947) 6.714 4.888 ( -0.035 -7.227 -0.562) 7.249 5.457 ( 0.908 -2.350 -0.424) 2.554 6.012 ( 0.951 -0.347 0.208) 1.033 6.073 ( 0.626 -0.945 -1.223) 1.668 6.700 ( 0.083 6.463 -0.435) 6.478 6.831 ( -0.361 6.425 -0.242) 6.440 6.866 ( -0.201 7.164 -1.017) 7.239 6.962 ( -2.088 4.947 -1.718) 5.638 7.039 ( 0.628 6.547 -0.545) 6.599 7.116 ( 2.222 7.062 0.375) 7.413 7.252 ( 0.408 2.006 0.456) 2.097 7.320 ( 1.174 3.641 0.772) 3.902 7.373 ( 0.121 4.028 1.900) 4.455 7.481 ( 2.200 0.456 -0.269) 2.263 7.503 ( 0.409 5.203 -0.658) 5.261 7.644 ( -0.400 1.196 1.053) 1.643 7.848 ( 0.333 2.104 -0.786) 2.271 8.491 ( -0.611 -0.598 -2.325) 2.478 8.581 ( -0.416 2.088 0.048) 2.130 ======================= Grid point 264 (118/231) ======================= q-point: (-0.15 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.341 -12.898 0.016) 12.903 1.959 ( 4.669 -5.396 2.977) 7.732 2.073 ( 5.691 -4.174 2.745) 7.573 2.191 ( 7.919 -2.212 10.174) 13.081 2.279 ( 5.954 -7.489 9.967) 13.816 2.431 ( 0.709 -2.840 2.098) 3.601 2.561 ( -5.403 1.864 -6.547) 8.691 2.671 ( 0.570 -2.212 -6.893) 7.261 2.798 ( 0.982 0.097 -2.554) 2.738 3.097 ( 1.238 1.251 1.319) 2.199 3.300 ( -1.894 2.020 0.429) 2.802 3.341 ( 3.365 2.519 0.160) 4.206 3.607 ( -3.164 4.520 2.756) 6.168 3.920 ( -7.770 4.359 -2.411) 9.230 3.984 ( -3.886 2.884 -1.921) 5.207 4.673 ( -0.704 -8.456 -0.097) 8.486 4.920 ( -0.543 -6.943 -1.618) 7.149 5.074 ( 0.598 -9.749 0.198) 9.770 5.564 ( -0.074 -6.984 -1.267) 7.099 6.081 ( -0.278 -5.481 -0.228) 5.493 6.165 ( 0.497 -6.529 -0.598) 6.576 6.603 ( 0.116 3.220 -0.227) 3.230 6.698 ( -1.321 4.985 0.220) 5.162 6.745 ( 0.682 4.964 -1.533) 5.240 6.846 ( -1.700 5.057 -1.005) 5.429 6.908 ( 1.374 6.792 -0.196) 6.932 6.987 ( 2.314 6.782 0.727) 7.203 7.212 ( 1.382 2.453 -0.491) 2.858 7.270 ( 0.078 1.690 0.549) 1.778 7.335 ( 1.003 0.325 0.988) 1.445 7.421 ( 0.772 2.959 -0.506) 3.100 7.487 ( 1.441 0.714 -1.089) 1.942 7.608 ( 0.004 2.235 2.222) 3.152 7.818 ( 0.384 1.027 -0.634) 1.267 8.496 ( -0.531 -0.332 -1.944) 2.042 8.541 ( -0.649 1.587 -0.550) 1.801 ======================= Grid point 265 (119/231) ======================= q-point: (-0.08 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.384 -5.382 -0.054) 5.396 2.078 ( 1.145 -3.820 3.407) 5.245 2.138 ( 3.868 -1.178 6.109) 7.326 2.191 ( 2.424 1.467 6.908) 7.466 2.415 ( -0.997 3.308 -4.984) 6.064 2.500 ( -2.091 0.090 -2.699) 3.416 2.602 ( 6.404 -13.181 7.842) 16.621 2.743 ( -0.760 -4.672 -2.407) 5.311 2.784 ( -0.648 1.099 -2.037) 2.404 3.071 ( 0.406 3.220 0.839) 3.352 3.228 ( 1.241 2.049 2.882) 3.748 3.324 ( -1.165 0.775 -0.286) 1.428 3.501 ( -0.651 3.052 2.046) 3.732 3.752 ( -3.819 5.843 -2.821) 7.529 3.898 ( -1.989 3.446 -2.884) 4.914 4.811 ( 0.381 -4.741 0.871) 4.836 5.008 ( -1.333 -1.766 -2.209) 3.126 5.228 ( 0.974 -4.107 0.283) 4.231 5.673 ( -0.295 -2.929 -2.345) 3.763 6.183 ( -0.412 -3.963 0.124) 3.986 6.264 ( 0.196 -1.894 -0.720) 2.035 6.555 ( 0.600 1.909 1.200) 2.333 6.650 ( -1.757 0.302 -2.421) 3.006 6.694 ( -0.213 -1.058 0.061) 1.081 6.772 ( -0.434 1.294 -0.656) 1.514 6.804 ( 0.945 3.386 -0.002) 3.515 6.875 ( 1.692 4.829 1.498) 5.332 7.174 ( 0.726 1.654 -1.536) 2.371 7.251 ( -0.442 0.235 -0.277) 0.572 7.352 ( 0.474 -0.863 -0.694) 1.204 7.397 ( 2.264 0.228 0.726) 2.389 7.465 ( -0.905 0.793 -0.122) 1.209 7.567 ( 0.136 1.953 1.611) 2.535 7.807 ( 0.207 0.238 -0.499) 0.590 8.497 ( -0.085 -0.134 -1.487) 1.496 8.512 ( -0.246 0.868 -0.979) 1.331 ======================= Grid point 273 (120/231) ======================= q-point: (-0.46 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -7.100 0.000 11.204) 13.264 1.381 ( 7.201 -0.000 11.343) 13.436 1.470 ( -10.372 0.000 -3.593) 10.977 1.649 ( -8.847 0.000 -8.779) 12.463 1.818 ( 5.561 -0.000 1.503) 5.761 1.898 ( 0.401 -0.000 0.303) 0.503 2.039 ( -2.922 0.000 -3.182) 4.319 2.288 ( -1.527 0.000 -0.603) 1.642 2.308 ( -2.532 0.000 -1.476) 2.931 2.414 ( -0.800 0.000 -1.007) 1.286 2.493 ( 0.657 -0.000 10.824) 10.844 2.514 ( -0.618 0.000 -0.098) 0.626 2.811 ( 1.816 -0.000 0.818) 1.992 3.405 ( 5.070 -0.000 -4.360) 6.687 3.607 ( 1.849 -0.000 11.812) 11.955 4.185 ( -1.644 0.000 -0.904) 1.876 4.658 ( 2.036 -0.000 0.326) 2.062 4.978 ( -1.576 0.000 -2.874) 3.278 5.661 ( 0.029 -0.000 -3.753) 3.753 6.324 ( 1.228 -0.000 1.498) 1.937 6.378 ( 1.891 -0.000 1.521) 2.427 6.911 ( -0.202 0.000 -0.550) 0.586 6.981 ( -0.108 0.000 1.249) 1.253 7.176 ( -0.501 0.000 -0.437) 0.665 7.261 ( -0.186 0.000 -0.376) 0.420 7.341 ( -2.873 0.000 -3.386) 4.440 7.403 ( -0.416 0.000 0.364) 0.553 7.478 ( -0.864 0.000 0.234) 0.895 7.485 ( -0.095 0.000 -1.785) 1.787 7.567 ( 1.361 -0.000 0.623) 1.497 7.716 ( -2.526 0.000 -2.882) 3.832 7.865 ( 0.833 -0.000 1.887) 2.063 7.917 ( 1.275 -0.000 0.479) 1.362 8.152 ( -1.086 0.000 -1.475) 1.832 8.524 ( -0.378 0.000 -2.693) 2.719 8.753 ( 0.777 -0.000 2.107) 2.245 ======================= Grid point 274 (121/231) ======================= q-point: (-0.38 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -6.911 2.880 10.951) 13.266 1.237 ( -18.138 2.854 -4.157) 18.825 1.483 ( 8.477 -0.516 13.032) 15.555 1.725 ( -2.773 -14.101 -7.698) 16.303 1.915 ( -1.738 2.254 -2.109) 3.542 2.001 ( 6.522 -8.030 4.835) 11.419 2.231 ( -4.127 -1.599 -3.677) 5.754 2.248 ( -1.098 -24.136 1.798) 24.228 2.382 ( -3.309 -6.692 -1.650) 7.646 2.573 ( -1.300 -10.304 4.076) 11.157 2.608 ( -1.008 -9.724 0.859) 9.814 2.691 ( -2.203 -13.793 0.804) 13.991 2.864 ( -1.651 -8.478 -0.269) 8.642 3.439 ( 7.287 -0.822 -3.817) 8.267 3.616 ( 0.396 0.620 11.627) 11.651 4.178 ( -1.425 -0.402 -1.015) 1.795 4.668 ( 2.404 0.227 -0.144) 2.419 4.939 ( -1.061 2.736 -2.771) 4.036 5.632 ( 0.377 2.649 -3.334) 4.275 6.293 ( 0.877 3.623 1.469) 4.007 6.354 ( 1.587 3.480 1.012) 3.957 6.919 ( -0.215 -0.788 -0.475) 0.945 6.978 ( -0.142 0.454 1.227) 1.316 7.158 ( -0.505 1.507 -0.489) 1.663 7.255 ( -0.043 0.788 -0.284) 0.839 7.287 ( -2.643 2.949 -2.764) 4.830 7.392 ( -0.537 1.136 0.182) 1.270 7.436 ( 0.171 3.184 0.627) 3.249 7.495 ( -0.823 0.018 -1.340) 1.573 7.545 ( 0.383 2.484 -0.957) 2.689 7.670 ( -2.122 2.572 -1.703) 3.744 7.824 ( 0.335 4.427 1.594) 4.717 7.891 ( 0.639 3.189 0.366) 3.273 8.099 ( -1.028 4.309 -1.223) 4.596 8.508 ( -0.127 1.113 -2.686) 2.911 8.737 ( 0.764 2.068 1.815) 2.856 ======================= Grid point 275 (122/231) ======================= q-point: (-0.31 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -6.523 -5.571 4.094) 9.505 1.276 ( -8.716 -11.681 5.189) 15.471 1.594 ( 8.765 -4.535 11.227) 14.948 1.872 ( -0.653 -2.447 -2.055) 3.261 2.048 ( 1.339 -14.258 -7.218) 16.037 2.202 ( 3.836 -6.141 3.818) 8.185 2.287 ( 0.069 -5.183 2.372) 5.700 2.498 ( -1.178 -8.078 -1.006) 8.225 2.709 ( -2.857 -11.538 2.851) 12.223 2.818 ( -3.897 -15.377 -0.633) 15.876 2.835 ( 2.076 -13.216 -1.975) 13.523 2.896 ( -3.276 -16.625 1.655) 17.025 3.189 ( -8.074 -20.117 -2.787) 21.856 3.535 ( 4.986 -6.781 -3.558) 9.138 3.610 ( -1.080 -0.195 10.639) 10.695 4.201 ( -0.954 -3.048 -0.594) 3.248 4.674 ( 1.672 0.029 -1.581) 2.301 4.866 ( -0.337 3.549 -1.782) 3.986 5.561 ( 0.842 4.327 -2.243) 4.946 6.198 ( 1.013 6.184 1.244) 6.389 6.259 ( 0.780 6.395 -0.329) 6.451 6.923 ( -0.383 1.195 -0.207) 1.271 6.957 ( -0.060 1.479 0.810) 1.688 7.108 ( 0.188 3.431 -0.744) 3.516 7.174 ( -1.921 5.501 -1.746) 6.083 7.259 ( 0.832 0.509 0.568) 1.129 7.326 ( 0.231 6.555 -1.343) 6.695 7.362 ( 0.129 3.327 1.312) 3.579 7.466 ( -0.163 2.382 -0.961) 2.574 7.482 ( -1.035 2.725 -1.345) 3.210 7.630 ( -1.519 0.286 0.074) 1.547 7.701 ( 0.006 7.629 0.847) 7.675 7.796 ( 0.304 6.444 0.273) 6.457 7.993 ( -0.355 5.155 -0.845) 5.236 8.484 ( -0.176 0.741 -2.627) 2.735 8.688 ( 0.457 3.034 1.230) 3.306 ======================= Grid point 276 (123/231) ======================= q-point: (-0.23 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.081 -14.108 2.823) 14.388 1.552 ( 0.856 -16.223 8.683) 18.420 1.750 ( 7.392 -5.722 7.750) 12.143 1.950 ( 1.365 -4.856 -2.531) 5.644 2.237 ( 3.142 -4.967 -2.348) 6.328 2.365 ( 2.977 -4.005 3.125) 5.888 2.390 ( 3.155 -6.430 3.516) 7.979 2.639 ( 0.090 -5.270 -2.471) 5.821 2.769 ( -0.670 -1.141 -0.643) 1.471 3.053 ( 0.731 -8.444 -1.411) 8.592 3.159 ( -2.553 -10.472 -1.019) 10.827 3.192 ( -2.395 -13.860 -0.489) 14.074 3.481 ( -5.027 -12.226 0.001) 13.219 3.647 ( -5.030 -8.172 4.753) 10.708 3.786 ( -3.874 -13.698 -1.372) 14.301 4.308 ( -0.587 -8.124 -0.001) 8.145 4.691 ( 0.213 -1.900 -2.693) 3.303 4.818 ( -0.023 0.208 -0.612) 0.647 5.481 ( 1.013 3.426 -1.047) 3.723 6.081 ( 1.659 5.506 0.807) 5.807 6.131 ( 0.465 5.711 -1.203) 5.855 6.839 ( 0.242 6.432 -0.041) 6.437 6.924 ( -0.458 2.696 0.246) 2.745 7.011 ( 0.362 6.771 -0.367) 6.790 7.051 ( -1.331 5.229 -2.035) 5.766 7.171 ( -0.096 7.233 -1.558) 7.399 7.241 ( 2.620 3.395 0.303) 4.299 7.296 ( -0.567 2.797 1.199) 3.096 7.397 ( 0.000 3.422 -0.406) 3.446 7.454 ( 0.692 1.723 1.488) 2.379 7.540 ( 0.525 6.250 -0.097) 6.273 7.614 ( -1.496 3.559 0.093) 3.862 7.672 ( 0.912 3.816 0.145) 3.927 7.904 ( 0.225 3.514 -0.797) 3.610 8.476 ( -0.508 -0.225 -2.417) 2.480 8.629 ( -0.164 2.887 0.526) 2.939 ======================= Grid point 277 (124/231) ======================= q-point: (-0.15 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 1.833 -14.820 2.133) 15.085 1.881 ( 7.273 -7.893 1.455) 10.831 1.924 ( 6.040 -12.255 10.596) 17.290 2.071 ( 3.711 -6.638 0.893) 7.657 2.343 ( 4.238 -3.086 3.078) 6.079 2.383 ( 4.021 1.854 6.149) 7.577 2.520 ( 1.285 -3.393 -2.255) 4.272 2.680 ( 1.544 1.138 -4.855) 5.220 2.792 ( 0.897 -1.391 -2.414) 2.926 3.122 ( 0.210 0.098 -0.867) 0.897 3.281 ( 0.349 -2.954 1.331) 3.259 3.364 ( 0.189 -4.012 -2.346) 4.651 3.606 ( -4.560 -3.127 3.974) 6.810 3.826 ( -8.337 -8.689 -0.818) 12.069 3.950 ( -8.054 -4.893 -1.937) 9.621 4.490 ( -0.727 -9.366 0.095) 9.394 4.770 ( -0.839 -6.356 -2.133) 6.757 4.886 ( -0.203 -7.487 -0.303) 7.496 5.463 ( 0.381 -1.983 -0.653) 2.122 6.026 ( 1.526 0.399 0.052) 1.578 6.079 ( 0.831 -1.117 -0.929) 1.674 6.703 ( 0.576 6.548 -0.266) 6.578 6.822 ( -1.159 6.844 0.644) 6.971 6.868 ( 0.759 6.831 -1.247) 6.985 6.941 ( -1.300 5.154 -1.985) 5.674 7.046 ( 0.858 6.017 -0.270) 6.084 7.137 ( 1.651 7.099 0.398) 7.299 7.256 ( 0.550 1.740 -0.116) 1.828 7.334 ( 1.176 3.273 0.490) 3.512 7.383 ( 1.028 3.850 2.373) 4.638 7.492 ( 0.129 2.623 -1.423) 2.987 7.515 ( 1.818 2.647 -0.199) 3.217 7.644 ( 0.027 1.167 1.043) 1.565 7.851 ( 0.476 2.067 -0.742) 2.248 8.480 ( -0.774 -0.612 -2.099) 2.319 8.575 ( -0.758 2.275 -0.119) 2.401 ======================= Grid point 278 (125/231) ======================= q-point: (-0.08 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 1.338 -12.304 1.007) 12.418 2.012 ( 4.638 -4.151 2.939) 6.884 2.136 ( 5.113 -3.792 3.683) 7.354 2.289 ( 7.825 0.457 7.008) 10.514 2.354 ( 5.016 -8.544 6.618) 11.914 2.446 ( 1.562 -3.789 2.783) 4.954 2.519 ( 0.020 3.499 -2.748) 4.449 2.664 ( -0.035 -1.319 -7.234) 7.354 2.814 ( 3.136 0.417 -2.318) 3.922 3.113 ( 1.225 1.066 1.919) 2.514 3.281 ( -1.652 2.002 1.584) 3.041 3.378 ( 3.735 2.493 -1.357) 4.691 3.574 ( -4.001 3.548 2.556) 5.927 3.825 ( -9.664 3.254 -2.333) 10.461 3.930 ( -5.846 1.484 -2.023) 6.362 4.669 ( -0.174 -8.829 0.479) 8.844 4.903 ( -1.978 -6.900 -2.318) 7.543 5.083 ( 0.832 -10.178 0.376) 10.218 5.557 ( -0.817 -6.607 -1.412) 6.805 6.081 ( 0.397 -4.800 -0.329) 4.828 6.168 ( 0.140 -6.154 -0.423) 6.170 6.605 ( 0.328 3.324 -0.286) 3.352 6.687 ( -0.903 5.140 0.707) 5.266 6.750 ( 0.604 5.079 -1.374) 5.296 6.830 ( -0.968 4.782 -1.229) 5.031 6.923 ( 1.433 6.684 0.080) 6.837 7.010 ( 1.872 6.464 0.609) 6.758 7.221 ( 0.746 2.247 -1.723) 2.928 7.280 ( 1.491 2.624 1.482) 3.362 7.348 ( 1.117 0.510 0.773) 1.451 7.429 ( 0.701 2.264 0.154) 2.375 7.498 ( 1.148 1.595 -1.917) 2.746 7.612 ( 0.142 2.091 1.975) 2.880 7.822 ( 0.471 1.090 -0.603) 1.332 8.487 ( -0.640 -0.551 -1.722) 1.918 8.532 ( -0.847 1.485 -0.636) 1.824 ======================= Grid point 287 (126/231) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -12.201 0.000 11.271) 16.610 1.321 ( -17.135 0.000 -2.457) 17.310 1.411 ( -9.460 0.000 -1.574) 9.591 1.576 ( 0.836 -0.000 8.796) 8.835 1.858 ( 1.804 -0.000 -0.498) 1.872 1.916 ( 2.499 -0.000 1.209) 2.776 2.001 ( -3.382 0.000 -4.682) 5.776 2.265 ( -2.568 0.000 -0.413) 2.601 2.269 ( -4.199 0.000 -2.899) 5.103 2.397 ( -2.049 0.000 -1.212) 2.380 2.503 ( -1.298 0.000 -0.032) 1.299 2.513 ( 0.722 -0.000 9.152) 9.181 2.821 ( 0.056 -0.000 -0.314) 0.319 3.473 ( 8.638 -0.000 -3.363) 9.269 3.633 ( -0.683 0.000 12.152) 12.171 4.168 ( -1.128 0.000 -1.300) 1.721 4.687 ( 3.351 -0.000 0.294) 3.364 4.961 ( -0.757 0.000 -2.963) 3.059 5.658 ( 0.409 -0.000 -3.763) 3.785 6.334 ( 0.357 -0.000 1.482) 1.525 6.401 ( 1.969 -0.000 1.657) 2.573 6.909 ( -0.057 0.000 -0.464) 0.467 6.980 ( -0.395 0.000 1.194) 1.258 7.168 ( -0.885 0.000 -0.493) 1.013 7.256 ( -0.671 0.000 -0.286) 0.729 7.307 ( -2.560 0.000 -3.193) 4.092 7.394 ( -1.436 0.000 0.272) 1.462 7.464 ( -1.887 0.000 0.307) 1.912 7.480 ( -0.366 0.000 -1.902) 1.937 7.583 ( 1.519 -0.000 -0.041) 1.520 7.689 ( -1.863 0.000 -1.511) 2.399 7.871 ( -0.214 0.000 1.226) 1.245 7.925 ( 0.099 -0.000 0.411) 0.423 8.137 ( -1.435 0.000 -1.336) 1.961 8.519 ( 0.292 -0.000 -2.536) 2.552 8.764 ( 0.886 -0.000 1.697) 1.914 ======================= Grid point 288 (127/231) ======================= q-point: (-0.31 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -11.920 4.393 10.521) 16.495 1.041 ( -17.499 -3.054 1.089) 17.797 1.589 ( 7.455 -1.472 12.097) 14.286 1.664 ( -7.253 -17.612 -6.369) 20.084 1.890 ( -2.115 2.143 -2.612) 3.986 2.055 ( 2.073 -12.753 2.670) 13.193 2.180 ( -4.131 -0.798 -5.571) 6.982 2.208 ( -5.313 -22.299 0.911) 22.941 2.360 ( -1.595 -6.481 -0.494) 6.692 2.573 ( -0.636 -9.308 4.437) 10.331 2.606 ( 1.072 -9.561 2.040) 9.835 2.655 ( -4.843 -16.035 0.838) 16.771 2.843 ( -1.716 -4.159 -2.191) 5.004 3.517 ( 8.255 -0.288 -4.016) 9.185 3.624 ( -2.521 0.899 11.926) 12.222 4.165 ( -0.584 -0.423 -1.054) 1.277 4.697 ( 3.162 0.760 -0.421) 3.279 4.929 ( -0.186 2.576 -2.370) 3.506 5.632 ( 0.664 2.466 -3.377) 4.234 6.301 ( 0.171 3.466 1.301) 3.706 6.372 ( 1.447 3.935 0.905) 4.289 6.917 ( -0.135 -0.673 -0.360) 0.774 6.978 ( -0.339 0.323 1.187) 1.276 7.152 ( -0.551 1.188 -0.538) 1.416 7.250 ( -1.185 2.437 -1.480) 3.088 7.260 ( -1.396 0.630 -0.900) 1.776 7.383 ( -1.238 0.764 0.044) 1.455 7.436 ( -0.374 2.160 0.637) 2.283 7.482 ( -1.355 -0.275 -1.567) 2.090 7.546 ( 0.066 3.934 -1.549) 4.229 7.653 ( -0.778 2.275 -0.112) 2.407 7.825 ( -0.669 4.385 0.904) 4.527 7.893 ( -0.450 3.185 0.164) 3.221 8.086 ( -1.114 3.968 -0.967) 4.234 8.505 ( 0.444 1.247 -2.436) 2.772 8.747 ( 0.771 2.197 1.270) 2.652 ======================= Grid point 289 (128/231) ======================= q-point: (-0.23 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -4.219 -9.664 5.651) 11.964 1.218 ( -4.947 -16.164 10.195) 19.740 1.691 ( 6.513 -4.338 8.476) 11.536 1.869 ( 1.019 -3.342 -2.291) 4.179 2.037 ( -0.779 -17.553 -7.559) 19.127 2.196 ( -2.810 -3.805 -3.400) 5.825 2.342 ( 6.012 -9.935 8.615) 14.459 2.464 ( -4.815 -8.934 -3.817) 10.843 2.668 ( -5.658 -18.259 1.224) 19.155 2.767 ( -3.656 -9.764 2.315) 10.680 2.866 ( -1.088 -12.526 -2.042) 12.738 2.878 ( 2.796 -15.106 2.825) 15.620 3.104 ( -7.253 -20.392 -2.874) 21.833 3.558 ( -0.112 -1.368 -1.515) 2.044 3.618 ( 0.123 -1.850 7.706) 7.926 4.191 ( -0.789 -3.036 -0.658) 3.205 4.690 ( 1.902 0.953 -1.899) 2.852 4.864 ( 0.284 3.396 -1.094) 3.579 5.566 ( 0.849 4.111 -2.405) 4.838 6.208 ( 0.600 5.766 0.959) 5.876 6.267 ( 0.736 6.782 -0.374) 6.832 6.919 ( -0.283 1.025 -0.167) 1.077 6.958 ( -0.092 1.641 0.989) 1.918 7.112 ( 0.860 2.923 -0.777) 3.144 7.151 ( -1.843 5.322 -1.179) 5.754 7.268 ( 0.625 -0.057 0.382) 0.734 7.328 ( 0.605 5.804 -1.236) 5.964 7.362 ( -0.490 4.071 0.791) 4.176 7.457 ( -1.091 2.538 -0.864) 2.895 7.474 ( -0.412 1.247 -0.930) 1.610 7.618 ( -0.743 0.686 0.654) 1.204 7.698 ( -0.685 7.414 0.358) 7.454 7.796 ( -0.392 6.040 0.022) 6.053 7.988 ( -0.315 4.756 -0.682) 4.815 8.480 ( 0.168 1.019 -2.314) 2.534 8.693 ( 0.303 3.318 0.691) 3.403 ======================= Grid point 290 (129/231) ======================= q-point: (-0.15 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 1.999 -15.099 5.004) 16.031 1.595 ( 4.621 -19.519 10.277) 22.538 1.825 ( 4.928 -5.290 4.251) 8.387 1.970 ( 3.499 -5.515 -1.404) 6.681 2.250 ( 1.418 -5.441 -3.789) 6.780 2.356 ( -0.477 -8.987 -3.412) 9.624 2.481 ( 6.803 -3.420 7.575) 10.741 2.647 ( 2.555 -6.913 -0.440) 7.383 2.757 ( -1.281 -1.413 -1.184) 2.244 3.043 ( -2.316 -9.950 -1.321) 10.301 3.124 ( -3.702 -14.445 -3.251) 15.262 3.181 ( 0.497 -11.108 2.971) 11.510 3.429 ( -4.773 -13.754 -0.719) 14.576 3.601 ( -5.418 -6.130 5.495) 9.855 3.730 ( -6.174 -9.363 -1.562) 11.324 4.298 ( -1.187 -8.348 -0.546) 8.450 4.690 ( 0.323 -1.155 -2.528) 2.798 4.818 ( 0.006 0.455 -0.320) 0.556 5.488 ( 0.666 3.423 -1.376) 3.749 6.099 ( 1.542 5.115 0.531) 5.368 6.135 ( 0.658 5.692 -0.979) 5.813 6.844 ( 0.620 6.195 0.047) 6.226 6.918 ( -0.744 2.888 0.818) 3.092 7.014 ( -0.175 7.143 0.003) 7.145 7.043 ( 0.874 5.106 -2.306) 5.670 7.170 ( 0.240 6.852 -1.024) 6.933 7.267 ( 1.820 4.188 0.324) 4.578 7.290 ( -0.370 1.708 0.507) 1.820 7.395 ( -0.257 2.798 -0.526) 2.859 7.462 ( 0.274 1.433 1.273) 1.936 7.543 ( 0.246 5.329 -0.810) 5.396 7.603 ( -0.681 3.024 1.039) 3.269 7.680 ( 0.642 3.872 -0.249) 3.933 7.906 ( 0.273 3.321 -0.732) 3.412 8.467 ( -0.383 0.034 -2.085) 2.120 8.626 ( -0.404 3.222 0.125) 3.249 ======================= Grid point 291 (130/231) ======================= q-point: (-0.08 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 2.573 -14.392 4.007) 15.159 1.948 ( 5.168 -5.286 0.671) 7.423 2.011 ( 7.613 -14.737 8.773) 18.765 2.117 ( 4.581 -8.085 1.924) 9.490 2.365 ( 1.568 -5.121 -0.294) 5.364 2.407 ( -0.395 1.247 -1.253) 1.812 2.585 ( 8.441 -0.690 4.138) 9.426 2.698 ( 3.785 3.071 -2.035) 5.282 2.803 ( 2.093 -3.008 -2.511) 4.442 3.132 ( 1.744 -1.047 0.987) 2.261 3.289 ( 0.410 -1.240 1.607) 2.070 3.352 ( -1.306 -7.470 -3.416) 8.317 3.560 ( -5.412 -3.001 3.774) 7.249 3.735 ( -8.686 -6.703 -0.126) 10.972 3.853 ( -10.020 -5.999 -1.944) 11.839 4.481 ( -0.856 -9.599 -0.344) 9.643 4.756 ( -1.086 -5.666 -2.117) 6.145 4.883 ( -0.348 -7.866 -0.195) 7.876 5.463 ( -0.198 -1.523 -1.054) 1.863 6.042 ( 1.699 0.862 -0.135) 1.910 6.087 ( 0.841 -1.084 -0.599) 1.497 6.711 ( 0.887 6.692 -0.144) 6.752 6.812 ( -1.065 6.860 1.126) 7.033 6.874 ( 0.593 6.644 -0.842) 6.724 6.932 ( 0.357 5.688 -2.226) 6.119 7.056 ( 0.961 5.676 0.156) 5.759 7.148 ( 0.252 6.766 0.718) 6.809 7.266 ( 1.524 1.846 -1.043) 2.611 7.345 ( 0.820 2.455 0.001) 2.588 7.399 ( 1.234 3.596 2.423) 4.508 7.486 ( -0.635 2.905 -1.671) 3.411 7.533 ( 1.798 2.020 -0.312) 2.722 7.648 ( 0.464 1.194 0.909) 1.571 7.855 ( 0.522 2.015 -0.692) 2.193 8.469 ( -0.709 -0.559 -1.775) 1.991 8.565 ( -0.919 2.439 -0.343) 2.628 ======================= Grid point 301 (131/231) ======================= q-point: (-0.31 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -14.390 0.000 12.481) 19.048 1.117 ( -21.441 0.000 -0.800) 21.456 1.217 ( -23.177 0.000 -4.001) 23.520 1.654 ( 6.552 -0.000 14.818) 16.202 1.854 ( -1.895 0.000 -3.039) 3.581 1.949 ( 3.140 -0.000 2.260) 3.869 1.954 ( -3.818 0.000 -5.615) 6.790 2.212 ( -5.938 0.000 -3.580) 6.934 2.235 ( -3.186 0.000 0.326) 3.202 2.370 ( -2.536 0.000 -1.566) 2.980 2.487 ( -1.849 0.000 0.098) 1.852 2.545 ( 3.211 -0.000 8.057) 8.673 2.815 ( -0.647 0.000 -1.914) 2.021 3.558 ( 7.962 -0.000 -5.135) 9.474 3.626 ( -3.813 0.000 12.589) 13.154 4.163 ( 0.615 -0.000 -0.729) 0.954 4.724 ( 3.689 -0.000 -0.204) 3.695 4.954 ( 0.270 -0.000 -2.209) 2.226 5.658 ( 0.721 -0.000 -3.787) 3.855 6.336 ( -0.391 0.000 1.162) 1.226 6.422 ( 1.524 -0.000 1.253) 1.973 6.909 ( 0.069 -0.000 -0.303) 0.310 6.977 ( -0.675 0.000 1.100) 1.291 7.157 ( -1.054 0.000 -0.503) 1.168 7.247 ( -0.918 0.000 -0.161) 0.932 7.280 ( -1.767 0.000 -2.387) 2.970 7.376 ( -2.105 0.000 0.077) 2.106 7.441 ( -2.509 0.000 0.488) 2.556 7.472 ( -0.669 0.000 -1.676) 1.805 7.594 ( 0.543 -0.000 -1.240) 1.354 7.679 ( 0.194 -0.000 0.507) 0.543 7.864 ( -1.253 0.000 0.348) 1.301 7.921 ( -1.063 0.000 0.113) 1.069 8.120 ( -1.347 0.000 -0.871) 1.604 8.522 ( 0.870 -0.000 -2.192) 2.358 8.776 ( 0.881 -0.000 0.975) 1.314 ======================= Grid point 302 (132/231) ======================= q-point: (-0.23 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -17.235 1.567 4.327) 17.839 0.913 ( -10.738 -9.757 14.277) 20.355 1.539 ( -14.537 -25.423 -4.732) 29.666 1.669 ( 3.324 -0.648 7.585) 8.307 1.875 ( 0.371 1.554 -0.368) 1.639 2.042 ( -4.022 -14.876 -2.650) 15.636 2.134 ( -2.607 -4.811 -5.767) 7.950 2.176 ( -1.564 -12.938 4.196) 13.691 2.335 ( -3.035 -8.856 -0.289) 9.366 2.563 ( -2.020 -10.535 1.760) 10.870 2.598 ( -5.298 -16.390 -0.299) 17.228 2.646 ( 4.050 -7.721 6.405) 10.818 2.826 ( -0.524 -2.496 -3.983) 4.730 3.565 ( -1.379 0.947 -2.347) 2.882 3.622 ( 2.423 0.457 8.187) 8.550 4.166 ( 0.855 0.021 -0.253) 0.892 4.728 ( 3.025 1.312 -1.086) 3.471 4.929 ( 0.767 2.516 -1.270) 2.921 5.635 ( 0.790 2.374 -3.461) 4.271 6.301 ( -0.445 3.224 0.867) 3.368 6.385 ( 0.924 4.271 0.405) 4.389 6.915 ( -0.025 -0.532 -0.187) 0.564 6.975 ( -0.523 0.103 1.089) 1.213 7.146 ( -0.386 0.642 -0.499) 0.900 7.230 ( -1.513 3.498 -1.360) 4.046 7.253 ( -0.501 -0.955 0.022) 1.078 7.368 ( -1.432 0.250 -0.112) 1.458 7.430 ( -0.967 0.744 0.913) 1.524 7.464 ( -1.450 -0.048 -1.650) 2.197 7.541 ( -0.477 4.796 -1.666) 5.100 7.655 ( 1.071 2.400 1.052) 2.831 7.814 ( -1.597 4.255 0.147) 4.547 7.883 ( -1.368 3.059 -0.256) 3.361 8.074 ( -0.924 3.655 -0.529) 3.807 8.509 ( 0.926 1.436 -2.015) 2.642 8.756 ( 0.661 2.358 0.499) 2.500 ======================= Grid point 303 (133/231) ======================= q-point: (-0.15 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -1.260 -14.050 7.705) 16.074 1.206 ( -0.616 -20.579 12.984) 24.340 1.743 ( 1.665 -4.809 1.384) 5.274 1.892 ( 3.677 -4.558 1.520) 6.050 2.007 ( -3.298 -22.352 -5.255) 23.197 2.163 ( -1.836 -4.510 -4.404) 6.566 2.391 ( -6.545 -13.818 -5.002) 16.086 2.407 ( 3.127 -10.386 8.010) 13.484 2.612 ( -4.669 -19.049 0.286) 19.615 2.746 ( -1.854 -5.047 3.250) 6.283 2.844 ( -1.945 -13.084 -0.999) 13.265 2.915 ( 1.831 -15.466 2.532) 15.778 3.039 ( -3.608 -19.318 -3.321) 19.931 3.533 ( -4.387 -0.072 2.250) 4.931 3.633 ( 1.095 -0.192 2.465) 2.704 4.184 ( -0.353 -2.341 -0.367) 2.396 4.706 ( 1.670 1.772 -2.210) 3.289 4.868 ( 0.819 3.521 -0.233) 3.623 5.570 ( 0.642 4.033 -2.628) 4.856 6.213 ( 0.136 5.228 0.490) 5.252 6.272 ( 0.470 6.912 -0.500) 6.946 6.917 ( -0.160 0.892 -0.099) 0.911 6.958 ( -0.080 1.647 1.094) 1.978 7.123 ( 1.514 2.093 -0.766) 2.695 7.135 ( -0.940 5.237 -0.254) 5.327 7.271 ( -0.181 -0.057 0.029) 0.191 7.335 ( 1.016 3.526 -0.655) 3.727 7.356 ( -0.545 5.782 -0.070) 5.808 7.445 ( -1.063 1.930 -0.630) 2.292 7.467 ( -0.750 0.533 -0.572) 1.084 7.618 ( 0.460 1.419 1.180) 1.902 7.689 ( -1.195 6.880 -0.016) 6.983 7.789 ( -0.932 5.485 -0.413) 5.579 7.984 ( -0.239 4.420 -0.504) 4.455 8.480 ( 0.517 1.401 -1.855) 2.381 8.696 ( 0.104 3.625 0.015) 3.627 ======================= Grid point 304 (134/231) ======================= q-point: (-0.08 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 1.736 -15.708 7.066) 17.311 1.673 ( 6.980 -21.664 9.382) 24.619 1.862 ( 1.916 -5.946 -0.774) 6.295 2.018 ( 5.260 -5.530 2.195) 7.942 2.262 ( 1.637 -5.851 -2.405) 6.534 2.355 ( 1.277 -8.043 -2.965) 8.667 2.522 ( 0.366 -9.138 -0.889) 9.189 2.694 ( 4.820 -8.462 3.692) 10.415 2.740 ( -1.189 -1.942 -0.816) 2.418 3.001 ( -5.407 -15.346 0.033) 16.270 3.090 ( -1.617 -12.268 -1.731) 12.495 3.204 ( 2.484 -9.855 2.846) 10.554 3.384 ( -3.459 -14.316 -1.294) 14.785 3.553 ( -5.304 -5.160 4.927) 8.890 3.659 ( -7.046 -4.246 -1.012) 8.288 4.283 ( -1.448 -8.334 -1.143) 8.536 4.690 ( 0.396 -0.510 -2.288) 2.377 4.818 ( 0.050 0.957 -0.059) 0.960 5.490 ( 0.173 3.532 -1.791) 3.964 6.113 ( 1.121 4.540 0.186) 4.680 6.141 ( 0.647 5.578 -0.728) 5.663 6.851 ( 0.669 5.809 -0.017) 5.848 6.912 ( -0.611 3.269 1.264) 3.557 7.010 ( -0.140 6.807 0.088) 6.809 7.060 ( 2.812 5.637 -1.875) 6.573 7.173 ( 0.539 6.439 -0.417) 6.475 7.267 ( -1.508 4.618 1.011) 4.962 7.303 ( 2.299 0.953 -0.761) 2.603 7.390 ( -0.586 2.378 -0.788) 2.573 7.462 ( -0.579 0.902 0.534) 1.198 7.543 ( -0.017 4.932 -1.194) 5.074 7.605 ( 0.510 2.784 2.167) 3.564 7.684 ( 0.413 3.302 -0.813) 3.425 7.907 ( 0.266 3.127 -0.680) 3.211 8.462 ( -0.100 0.380 -1.638) 1.684 8.621 ( -0.558 3.528 -0.352) 3.589 ======================= Grid point 315 (135/231) ======================= q-point: (-0.23 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -15.768 0.000 12.856) 20.345 0.882 ( -23.809 0.000 1.936) 23.887 0.962 ( -24.260 0.000 4.290) 24.636 1.711 ( -0.658 0.000 6.663) 6.696 1.813 ( -4.428 0.000 -5.555) 7.103 1.923 ( -0.225 0.000 0.240) 0.329 1.986 ( 3.207 -0.000 2.828) 4.276 2.140 ( -6.130 0.000 -4.175) 7.416 2.201 ( -3.679 0.000 1.405) 3.938 2.343 ( -2.006 0.000 -1.880) 2.749 2.466 ( -2.131 0.000 0.222) 2.142 2.601 ( 4.865 -0.000 7.242) 8.724 2.805 ( -0.378 0.000 -3.605) 3.625 3.548 ( -7.684 0.000 1.553) 7.840 3.661 ( 6.569 -0.000 2.709) 7.105 4.178 ( 2.138 -0.000 0.572) 2.213 4.758 ( 2.999 -0.000 -1.216) 3.237 4.960 ( 1.345 -0.000 -0.696) 1.514 5.660 ( 0.805 -0.000 -3.863) 3.946 6.330 ( -0.964 0.000 0.626) 1.150 6.435 ( 0.751 -0.000 0.341) 0.825 6.909 ( 0.158 -0.000 -0.092) 0.183 6.970 ( -0.890 0.000 0.960) 1.309 7.146 ( -0.926 0.000 -0.417) 1.016 7.237 ( -0.989 0.000 -0.105) 0.995 7.265 ( -0.465 0.000 -0.985) 1.089 7.353 ( -2.138 0.000 -0.090) 2.140 7.415 ( -2.651 0.000 0.697) 2.741 7.461 ( -0.956 0.000 -1.104) 1.460 7.592 ( -0.223 0.000 -1.395) 1.413 7.694 ( 2.088 -0.000 1.422) 2.526 7.846 ( -2.112 0.000 -0.465) 2.162 7.905 ( -1.904 0.000 -0.478) 1.963 8.107 ( -1.003 0.000 -0.268) 1.038 8.530 ( 1.316 -0.000 -1.689) 2.141 8.785 ( 0.705 -0.000 0.084) 0.710 ======================= Grid point 316 (136/231) ======================= q-point: (-0.15 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -10.784 -9.237 7.740) 16.172 0.845 ( -7.354 -12.612 19.600) 24.440 1.358 ( -18.693 -31.594 -0.987) 36.723 1.673 ( -2.997 -1.313 -2.614) 4.188 1.898 ( 2.517 0.629 4.601) 5.282 1.982 ( -5.567 -14.041 -6.227) 16.338 2.113 ( -0.193 -4.970 -3.565) 6.119 2.176 ( 0.051 -12.499 5.225) 13.548 2.301 ( -3.280 -9.976 0.938) 10.543 2.535 ( -3.754 -16.220 -0.498) 16.656 2.555 ( -2.625 -10.180 1.048) 10.565 2.696 ( 2.929 -5.869 6.066) 8.934 2.823 ( 1.607 -3.300 -5.361) 6.498 3.504 ( -8.482 -0.005 2.043) 8.725 3.677 ( 5.082 1.707 0.909) 5.437 4.180 ( 1.735 0.762 0.881) 2.089 4.753 ( 2.122 1.712 -1.975) 3.366 4.940 ( 1.606 2.624 0.190) 3.082 5.637 ( 0.628 2.369 -3.587) 4.344 6.295 ( -0.896 2.948 0.305) 3.096 6.391 ( 0.235 4.443 -0.356) 4.463 6.916 ( 0.101 -0.411 0.015) 0.424 6.970 ( -0.661 -0.167 0.912) 1.139 7.143 ( -0.008 -0.050 -0.357) 0.360 7.219 ( -0.185 3.548 0.050) 3.553 7.246 ( -0.840 -1.217 -0.145) 1.486 7.355 ( -0.897 -0.312 -0.202) 0.971 7.420 ( -1.234 -0.900 0.989) 1.820 7.448 ( -1.191 0.515 -1.143) 1.729 7.534 ( -0.194 5.110 -0.966) 5.205 7.674 ( 2.041 2.822 1.190) 3.680 7.793 ( -2.329 4.049 -0.421) 4.690 7.865 ( -1.793 2.828 -0.866) 3.459 8.065 ( -0.647 3.445 -0.114) 3.508 8.518 ( 1.289 1.649 -1.452) 2.548 8.762 ( 0.399 2.519 -0.370) 2.577 ======================= Grid point 317 (137/231) ======================= q-point: (-0.08 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.194 -15.938 10.108) 18.874 1.245 ( 3.800 -24.155 12.530) 27.475 1.734 ( -2.257 -6.412 -5.398) 8.681 1.919 ( -2.894 -21.217 3.596) 21.713 1.973 ( 1.127 -13.492 -0.196) 13.540 2.146 ( -0.421 -5.999 -4.565) 7.550 2.321 ( -4.675 -11.139 -3.994) 12.723 2.443 ( 1.470 -14.154 6.734) 15.743 2.576 ( -2.556 -17.756 0.392) 17.943 2.731 ( -2.178 -3.543 1.954) 4.596 2.825 ( -1.459 -13.165 -1.536) 13.334 2.906 ( -3.548 -19.669 1.443) 20.039 3.036 ( 3.314 -14.914 -2.202) 15.436 3.482 ( -6.092 -1.720 3.138) 7.065 3.644 ( 0.615 2.939 0.060) 3.003 4.183 ( 0.165 -1.198 0.167) 1.221 4.716 ( 1.076 2.253 -2.428) 3.482 4.879 ( 1.195 3.926 0.571) 4.143 5.571 ( 0.221 4.058 -2.854) 4.967 6.213 ( -0.229 4.678 0.038) 4.683 6.274 ( -0.011 6.796 -0.712) 6.834 6.916 ( -0.036 0.888 -0.047) 0.890 6.959 ( -0.221 1.450 1.079) 1.821 7.133 ( 0.863 4.965 0.524) 5.067 7.142 ( 2.064 1.422 -0.403) 2.538 7.264 ( -1.020 -0.110 -0.309) 1.072 7.339 ( -0.373 2.355 0.676) 2.478 7.359 ( 1.698 6.453 -1.438) 6.826 7.432 ( -1.172 1.279 -1.040) 2.023 7.460 ( -0.379 0.666 0.509) 0.920 7.629 ( 1.205 2.240 1.315) 2.863 7.675 ( -1.292 5.816 -0.213) 5.962 7.777 ( -1.188 4.948 -1.008) 5.188 7.981 ( -0.147 4.180 -0.388) 4.200 8.485 ( 0.842 1.805 -1.279) 2.367 8.695 ( -0.150 3.889 -0.707) 3.955 ======================= Grid point 329 (138/231) ======================= q-point: (-0.15 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -20.592 0.000 7.564) 21.937 0.643 ( -23.073 0.000 6.835) 24.064 0.785 ( -12.397 0.000 23.747) 26.788 1.658 ( -8.274 0.000 -6.012) 10.228 1.751 ( -5.225 0.000 -7.874) 9.450 1.931 ( -1.837 0.000 5.458) 5.759 2.022 ( 2.877 -0.000 2.692) 3.941 2.099 ( 0.547 -0.000 -0.797) 0.966 2.165 ( -3.661 0.000 2.616) 4.500 2.326 ( -0.853 0.000 -1.928) 2.108 2.445 ( -1.984 0.000 0.301) 2.006 2.656 ( 3.039 -0.000 5.988) 6.715 2.800 ( 1.077 -0.000 -5.196) 5.307 3.454 ( -10.189 0.000 1.453) 10.292 3.726 ( 5.205 -0.000 -0.340) 5.216 4.204 ( 2.353 -0.000 1.684) 2.894 4.780 ( 1.693 -0.000 -2.319) 2.871 4.979 ( 2.126 -0.000 0.942) 2.326 5.661 ( 0.511 -0.000 -3.981) 4.013 6.319 ( -1.296 0.000 0.031) 1.297 6.439 ( 0.153 -0.000 -0.721) 0.737 6.912 ( 0.245 -0.000 0.145) 0.285 6.962 ( -0.965 0.000 0.768) 1.234 7.137 ( -0.507 0.000 -0.206) 0.547 7.226 ( -1.061 0.000 -0.266) 1.094 7.269 ( 1.144 -0.000 0.773) 1.381 7.334 ( -1.340 0.000 -0.022) 1.340 7.390 ( -2.384 0.000 0.815) 2.519 7.450 ( -1.000 0.000 -0.207) 1.021 7.590 ( 0.114 -0.000 -0.637) 0.648 7.720 ( 2.438 -0.000 1.049) 2.654 7.820 ( -2.777 0.000 -0.851) 2.904 7.883 ( -1.976 0.000 -1.264) 2.345 8.099 ( -0.611 0.000 0.200) 0.642 8.543 ( 1.605 -0.000 -1.066) 1.927 8.790 ( 0.335 -0.000 -0.836) 0.900 ======================= Grid point 330 (139/231) ======================= q-point: (-0.08 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.758 -17.052 11.687) 20.687 0.826 ( -2.946 -16.926 20.439) 26.701 1.178 ( -14.865 -35.235 6.595) 38.807 1.613 ( -6.453 -3.043 -9.372) 11.778 1.907 ( -3.549 -10.391 -4.242) 11.771 1.926 ( -2.176 -6.067 -0.174) 6.448 2.119 ( 1.740 -4.149 0.257) 4.506 2.195 ( 2.086 -12.498 4.699) 13.515 2.276 ( -1.893 -10.055 2.995) 10.661 2.499 ( -2.617 -15.780 -0.996) 16.027 2.536 ( -1.560 -9.604 1.060) 9.787 2.710 ( -1.702 -3.011 1.752) 3.877 2.848 ( 4.393 -5.586 -4.048) 8.178 3.413 ( -8.966 -1.131 1.825) 9.219 3.720 ( 2.923 2.760 -1.050) 4.155 4.201 ( 1.701 1.375 1.768) 2.812 4.765 ( 0.837 1.890 -2.654) 3.364 4.961 ( 2.048 2.872 1.406) 3.797 5.636 ( 0.168 2.397 -3.648) 4.368 6.284 ( -1.089 2.673 -0.190) 2.893 6.390 ( -0.355 4.591 -1.095) 4.733 6.918 ( 0.238 -0.320 0.221) 0.455 6.964 ( -0.740 -0.388 0.683) 1.079 7.145 ( 0.555 -0.768 -0.148) 0.959 7.229 ( 1.874 3.239 1.453) 4.015 7.235 ( -1.056 -1.015 -0.382) 1.513 7.351 ( 0.049 -0.652 -0.168) 0.675 7.411 ( -0.489 -2.175 0.562) 2.299 7.438 ( -0.531 0.705 -0.023) 0.883 7.535 ( 0.546 5.116 -0.042) 5.145 7.697 ( 1.964 3.108 0.570) 3.720 7.766 ( -2.668 3.756 -0.481) 4.632 7.845 ( -1.620 2.628 -1.583) 3.470 8.060 ( -0.332 3.349 0.132) 3.368 8.531 ( 1.491 1.859 -0.804) 2.515 8.762 ( -0.017 2.642 -1.213) 2.908 ======================= Grid point 343 (140/231) ======================= q-point: (-0.08 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -11.117 0.000 13.956) 17.843 0.457 ( -14.056 0.000 15.105) 20.633 0.772 ( 0.579 -0.000 34.924) 34.929 1.542 ( -10.827 0.000 -12.105) 16.241 1.687 ( -4.404 0.000 -9.880) 10.817 1.891 ( -5.293 0.000 1.105) 5.407 2.049 ( 1.261 -0.000 1.674) 2.096 2.141 ( -1.625 0.000 4.111) 4.420 2.145 ( 6.029 -0.000 5.527) 8.179 2.320 ( 0.278 -0.000 -1.735) 1.757 2.428 ( -1.351 0.000 0.328) 1.390 2.665 ( -2.973 0.000 1.679) 3.415 2.818 ( 3.734 -0.000 -4.403) 5.773 3.356 ( -8.318 0.000 1.569) 8.465 3.762 ( 2.002 -0.000 -2.085) 2.890 4.229 ( 1.683 -0.000 2.383) 2.917 4.786 ( 0.142 -0.000 -3.017) 3.020 5.004 ( 2.283 -0.000 2.018) 3.047 5.658 ( 0.168 -0.000 -3.782) 3.786 6.305 ( -1.206 0.000 -0.338) 1.253 6.440 ( 0.663 -0.000 -1.784) 1.903 6.915 ( 0.368 -0.000 0.391) 0.537 6.953 ( -0.856 0.000 0.537) 1.010 7.135 ( 0.105 -0.000 0.113) 0.154 7.214 ( -1.091 0.000 -0.650) 1.270 7.291 ( 2.735 -0.000 2.565) 3.750 7.328 ( 0.064 -0.000 0.297) 0.304 7.369 ( -1.845 0.000 0.787) 2.006 7.443 ( 0.222 -0.000 1.243) 1.263 7.594 ( 0.792 -0.000 0.221) 0.823 7.741 ( 1.109 -0.000 -0.473) 1.206 7.791 ( -2.222 0.000 -0.163) 2.227 7.862 ( -1.481 0.000 -2.079) 2.553 8.095 ( -0.131 0.000 0.439) 0.458 8.560 ( 1.714 -0.000 -0.440) 1.769 8.789 ( -0.201 0.000 -1.661) 1.673 ======================= Grid point 344 (141/231) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 7.859 -0.000 13.388) 15.525 0.842 ( 4.553 -0.000 15.123) 15.793 1.058 ( -8.000 0.000 -12.540) 14.875 1.356 ( -3.080 0.000 -12.424) 12.801 1.621 ( 9.207 -0.000 20.864) 22.806 1.816 ( -4.014 0.000 -1.425) 4.260 2.082 ( -0.302 0.000 1.061) 1.103 2.228 ( 0.066 -0.000 2.683) 2.684 2.286 ( 1.167 -0.000 -1.903) 2.232 2.313 ( 2.419 -0.000 1.338) 2.764 2.425 ( -0.156 0.000 0.122) 0.198 2.490 ( -8.439 0.000 -5.360) 9.997 2.769 ( 0.152 -0.000 -2.685) 2.689 3.394 ( 2.379 -0.000 3.402) 4.151 3.667 ( -2.206 0.000 -4.120) 4.673 4.300 ( 0.294 -0.000 1.499) 1.527 4.727 ( -0.294 0.000 -1.261) 1.295 5.082 ( 0.930 -0.000 1.825) 2.049 5.592 ( 1.607 -0.000 -2.845) 3.268 6.293 ( -0.366 0.000 0.381) 0.529 6.345 ( -2.349 0.000 -2.700) 3.579 6.933 ( 0.414 -0.000 0.417) 0.588 6.953 ( -0.476 0.000 0.174) 0.507 7.155 ( 1.183 -0.000 0.862) 1.464 7.178 ( -1.141 0.000 -1.164) 1.630 7.348 ( 0.757 -0.000 0.382) 0.847 7.367 ( -0.612 0.000 0.331) 0.696 7.418 ( 2.871 -0.000 3.968) 4.898 7.487 ( 0.239 -0.000 -1.256) 1.278 7.625 ( 1.200 -0.000 0.265) 1.229 7.705 ( 0.171 -0.000 0.946) 0.961 7.764 ( -2.417 0.000 -3.372) 4.149 7.806 ( 0.358 -0.000 0.165) 0.394 8.105 ( 0.314 -0.000 0.112) 0.334 8.585 ( 1.083 -0.000 0.895) 1.405 8.725 ( -0.868 0.000 -2.168) 2.335 ======================= Grid point 345 (142/231) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 2.024 -14.356 9.500) 17.333 1.087 ( 2.567 -9.816 -0.121) 10.147 1.238 ( 0.637 -18.081 5.477) 18.903 1.440 ( 1.128 -14.908 -10.303) 18.157 1.796 ( 2.191 -6.396 0.854) 6.815 1.949 ( 3.495 -17.671 9.776) 20.495 2.224 ( 1.029 -12.036 3.962) 12.714 2.329 ( 1.227 -5.810 1.952) 6.251 2.397 ( -3.472 -10.235 -1.976) 10.987 2.420 ( -1.158 -8.225 -3.425) 8.984 2.484 ( 0.146 -8.146 1.654) 8.313 2.528 ( -0.323 -8.884 -1.127) 8.961 2.808 ( -0.295 -5.307 -3.516) 6.373 3.426 ( 1.522 -1.998 3.027) 3.934 3.623 ( -1.714 2.988 -3.366) 4.816 4.277 ( -0.564 2.162 1.189) 2.531 4.709 ( -0.455 1.378 -1.034) 1.782 5.046 ( 0.277 3.849 1.138) 4.023 5.570 ( 1.196 2.635 -2.986) 4.158 6.262 ( -0.969 2.541 0.448) 2.756 6.303 ( -1.181 2.743 -1.071) 3.173 6.933 ( -0.020 0.249 0.128) 0.281 6.963 ( 0.055 -0.876 0.474) 0.998 7.173 ( 0.561 -1.063 0.567) 1.329 7.183 ( -0.330 -0.762 -1.123) 1.397 7.338 ( -0.072 2.728 1.143) 2.959 7.359 ( 0.768 0.629 -0.167) 1.007 7.425 ( 0.632 0.729 1.054) 1.429 7.457 ( -0.305 2.506 -1.127) 2.765 7.598 ( -0.245 2.646 0.006) 2.657 7.687 ( 1.536 2.026 2.069) 3.278 7.726 ( -1.426 2.426 -2.797) 3.968 7.772 ( 0.148 3.469 -0.166) 3.476 8.065 ( 0.515 3.990 -0.170) 4.026 8.567 ( 0.523 2.153 0.370) 2.246 8.694 ( -0.374 2.452 -1.621) 2.963 ======================= Grid point 346 (143/231) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 1.762 -14.385 6.393) 15.840 1.332 ( -2.964 -17.189 -0.364) 17.447 1.549 ( 2.047 -14.731 5.911) 16.004 1.845 ( -0.080 -15.088 -6.324) 16.360 1.973 ( -2.235 -14.279 -0.785) 14.475 2.345 ( -0.326 -5.305 -1.029) 5.414 2.438 ( 1.404 -8.862 3.671) 9.694 2.478 ( 0.925 -18.444 2.758) 18.672 2.560 ( -2.029 -9.438 2.342) 9.933 2.649 ( 3.168 -13.988 0.212) 14.344 2.775 ( 2.500 -17.537 0.914) 17.738 2.862 ( 1.049 -21.574 0.304) 21.601 3.021 ( 1.070 -15.404 -4.474) 16.076 3.498 ( -0.161 -4.529 1.875) 4.904 3.534 ( 0.467 4.583 -0.992) 4.712 4.225 ( -0.191 2.233 0.466) 2.290 4.673 ( -0.354 1.617 -1.025) 1.947 4.942 ( -0.296 6.225 0.327) 6.241 5.500 ( 0.542 4.373 -2.266) 4.954 6.192 ( -0.938 3.802 0.405) 3.937 6.226 ( -0.157 4.559 -0.283) 4.571 6.916 ( 0.128 1.713 -0.059) 1.718 6.974 ( -0.139 0.171 0.817) 0.846 7.180 ( -1.896 0.628 -1.740) 2.649 7.195 ( 0.361 1.048 0.976) 1.477 7.226 ( 0.436 6.861 0.163) 6.877 7.335 ( -0.145 2.222 0.132) 2.231 7.369 ( -2.355 4.004 -1.078) 4.769 7.410 ( 2.338 3.002 0.254) 3.813 7.528 ( -0.973 3.807 -0.368) 3.946 7.642 ( 0.256 4.041 1.534) 4.329 7.676 ( -0.231 4.392 -1.124) 4.540 7.683 ( 1.053 1.542 -0.106) 1.870 7.973 ( 0.384 4.702 -0.435) 4.738 8.517 ( 0.042 2.570 -0.493) 2.617 8.631 ( 0.377 3.512 -0.770) 3.615 ======================= Grid point 347 (144/231) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.063 -13.676 1.923) 13.810 1.680 ( -5.184 -17.415 2.780) 18.381 1.852 ( 0.332 -13.228 7.643) 15.281 2.027 ( -4.028 -7.679 -4.665) 9.846 2.209 ( -5.787 -8.303 -0.210) 10.123 2.347 ( 1.305 0.256 1.645) 2.116 2.564 ( 2.333 -1.912 0.643) 3.084 2.702 ( -9.157 -11.114 -5.037) 15.256 2.911 ( 2.810 -15.175 2.333) 15.608 2.969 ( 0.686 -13.610 2.512) 13.856 3.150 ( 1.161 -13.978 2.022) 14.172 3.244 ( 4.150 -13.400 -2.607) 14.268 3.347 ( 1.316 -15.453 -1.998) 15.637 3.497 ( 5.636 -3.474 -2.067) 6.936 3.624 ( 1.724 -6.308 4.910) 8.178 4.226 ( 1.341 -3.539 -0.743) 3.857 4.655 ( 0.113 -0.330 -1.337) 1.382 4.828 ( -0.405 3.641 0.015) 3.663 5.413 ( 0.180 3.851 -1.131) 4.018 6.113 ( -1.306 3.093 0.346) 3.375 6.129 ( -0.177 4.573 -0.375) 4.592 6.855 ( 0.646 4.717 -0.155) 4.764 6.929 ( -1.239 4.976 1.048) 5.234 7.042 ( -0.241 8.074 -0.297) 8.083 7.119 ( -1.758 4.739 -2.675) 5.718 7.182 ( 0.825 2.972 1.873) 3.609 7.253 ( -2.199 4.083 -1.818) 4.981 7.301 ( -0.154 2.577 1.431) 2.952 7.344 ( 0.857 4.527 -0.321) 4.618 7.445 ( -0.938 3.582 -0.561) 3.745 7.547 ( -0.209 4.711 0.511) 4.743 7.583 ( 0.454 3.662 0.375) 3.709 7.691 ( 0.109 -0.393 -0.084) 0.416 7.896 ( 0.024 3.083 -0.482) 3.121 8.475 ( -0.109 1.430 -1.218) 1.882 8.567 ( 1.170 3.023 -0.064) 3.242 ======================= Grid point 348 (145/231) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.341 -12.833 0.826) 12.929 1.955 ( -7.473 -12.901 1.413) 14.976 2.048 ( -3.558 -6.329 7.031) 10.107 2.113 ( -5.926 -3.370 -0.459) 6.833 2.279 ( -3.971 -4.515 -1.881) 6.300 2.390 ( 0.908 -1.693 4.632) 5.015 2.611 ( 3.022 -2.848 -0.753) 4.221 2.815 ( -8.431 -4.905 -4.278) 10.651 3.015 ( -3.745 2.842 2.058) 5.133 3.153 ( 0.602 -3.356 3.486) 4.876 3.283 ( -4.431 -5.008 -3.507) 7.551 3.483 ( -0.698 -6.939 -4.506) 8.303 3.592 ( 6.534 -5.211 2.219) 8.648 3.660 ( 12.119 -3.962 -1.824) 12.880 3.725 ( 4.383 -1.159 2.747) 5.301 4.417 ( 1.628 -13.824 -0.360) 13.924 4.697 ( 0.897 -4.052 -1.066) 4.285 4.854 ( 0.108 -6.724 0.150) 6.727 5.379 ( 0.488 -1.217 -0.316) 1.349 6.066 ( -0.531 0.818 -0.742) 1.226 6.082 ( -1.422 -1.220 0.312) 1.899 6.741 ( 0.940 6.611 -0.577) 6.703 6.782 ( -1.561 7.344 0.840) 7.554 6.896 ( -0.181 7.145 -0.574) 7.170 6.978 ( 0.188 8.006 -1.822) 8.213 7.118 ( -0.066 3.575 1.550) 3.898 7.161 ( -3.833 4.709 -1.341) 6.218 7.222 ( -1.629 4.445 -1.859) 5.086 7.271 ( 2.002 2.594 2.531) 4.140 7.390 ( -0.576 1.538 1.026) 1.937 7.477 ( -0.202 2.313 -0.855) 2.474 7.522 ( -1.327 2.444 0.257) 2.793 7.683 ( 0.040 1.399 0.260) 1.424 7.846 ( -0.253 1.859 -0.432) 1.926 8.458 ( 0.101 0.239 -1.395) 1.419 8.524 ( 1.557 1.989 0.056) 2.527 ======================= Grid point 349 (146/231) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -6.623 -4.323 -3.544) 8.667 2.059 ( -1.683 -3.591 6.180) 7.343 2.155 ( -6.297 -7.001 2.232) 9.677 2.199 ( -2.614 -8.554 2.595) 9.313 2.334 ( -4.710 -1.861 -0.090) 5.065 2.399 ( 1.878 1.099 4.306) 4.824 2.720 ( 2.179 -5.652 -0.589) 6.086 2.822 ( -3.037 1.167 -2.095) 3.870 2.916 ( -5.703 2.023 -0.007) 6.051 3.111 ( -4.891 5.873 -0.937) 7.700 3.292 ( -2.903 0.954 -0.493) 3.096 3.514 ( -2.409 1.592 1.300) 3.167 3.612 ( 3.828 4.568 0.288) 5.967 3.722 ( 8.723 2.523 -3.216) 9.633 3.747 ( 10.036 2.224 -0.111) 10.281 4.708 ( -0.461 -13.128 -0.954) 13.171 4.812 ( 1.620 -5.741 0.397) 5.978 5.048 ( 0.380 -10.662 0.282) 10.673 5.471 ( 1.177 -6.683 -0.587) 6.811 6.103 ( 0.349 -4.479 -1.137) 4.634 6.147 ( -0.607 -5.046 0.558) 5.113 6.627 ( 1.186 4.731 -0.686) 4.926 6.661 ( -1.089 3.684 0.623) 3.892 6.762 ( -0.135 5.293 -1.122) 5.412 6.827 ( 1.296 6.771 -0.141) 6.895 6.996 ( -4.504 7.546 -1.653) 8.942 7.041 ( -1.054 5.563 2.698) 6.272 7.137 ( -1.936 2.670 -3.347) 4.698 7.259 ( 1.842 0.315 2.364) 3.013 7.370 ( -0.198 0.470 1.377) 1.468 7.428 ( -0.156 2.759 -0.946) 2.921 7.485 ( -2.396 -0.196 -0.428) 2.442 7.636 ( 0.328 3.317 0.862) 3.443 7.815 ( -0.321 1.094 -0.376) 1.201 8.460 ( 0.274 -0.332 -1.169) 1.245 8.501 ( 1.367 1.222 -0.303) 1.859 ======================= Grid point 350 (147/231) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -3.124 0.082 -1.037) 3.293 2.142 ( -1.479 -4.178 3.935) 5.927 2.255 ( -2.159 -3.467 -0.016) 4.084 2.299 ( -2.641 1.155 2.412) 3.759 2.362 ( 4.550 -4.776 6.575) 9.314 2.407 ( -1.588 -2.672 -0.247) 3.118 2.708 ( -4.763 6.662 -4.096) 9.157 2.790 ( 2.058 1.587 1.427) 2.965 2.928 ( -3.158 -2.318 -5.940) 7.115 2.970 ( -3.385 1.405 3.259) 4.904 3.259 ( -1.346 0.460 0.541) 1.522 3.439 ( 2.108 4.932 6.966) 8.792 3.533 ( 0.296 2.538 -1.757) 3.101 3.691 ( 4.670 3.144 -0.721) 5.676 3.745 ( 2.998 0.476 -4.711) 5.604 4.880 ( -0.878 -3.161 -2.499) 4.124 4.915 ( 0.830 -4.094 2.251) 4.745 5.220 ( 0.337 -5.167 -0.011) 5.178 5.598 ( 0.743 -4.080 -1.619) 4.452 6.209 ( 1.211 -4.369 -1.247) 4.702 6.224 ( -0.275 -1.509 0.820) 1.739 6.583 ( 1.629 -0.125 -0.112) 1.637 6.607 ( -0.850 2.105 0.719) 2.382 6.706 ( -0.295 1.074 -2.040) 2.324 6.760 ( 1.740 -0.716 1.020) 2.140 6.824 ( -2.834 6.402 -0.600) 7.027 6.917 ( -1.809 5.215 1.239) 5.657 7.094 ( -0.933 0.676 -2.460) 2.716 7.264 ( 0.695 -0.007 1.130) 1.326 7.353 ( -0.269 1.448 -0.814) 1.683 7.398 ( 0.517 -0.359 0.781) 1.003 7.494 ( -1.411 -1.054 -0.296) 1.786 7.571 ( 0.401 2.530 1.157) 2.811 7.799 ( -0.143 0.376 -0.318) 0.513 8.469 ( 0.099 -0.434 -0.886) 0.992 8.486 ( 0.727 0.715 -0.666) 1.218 ======================= Grid point 351 (148/231) ======================= q-point: (-0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.936 2.156 0.646) 2.438 2.178 ( 1.643 2.164 2.032) 3.393 2.253 ( 1.238 -0.322 -0.084) 1.282 2.295 ( 2.620 1.374 1.670) 3.397 2.431 ( -2.013 -2.935 -1.266) 3.778 2.481 ( -0.889 6.158 -3.348) 7.065 2.572 ( 4.302 -4.739 6.673) 9.247 2.773 ( 1.189 1.476 2.378) 3.041 2.862 ( 1.275 5.081 0.690) 5.284 3.030 ( -0.041 -4.233 -2.275) 4.806 3.289 ( 0.200 -3.334 -1.761) 3.775 3.393 ( 2.697 1.222 7.670) 8.222 3.537 ( -1.406 -2.748 0.908) 3.218 3.672 ( -1.585 -1.147 -0.918) 2.161 3.764 ( -5.189 -3.063 -4.783) 7.693 4.850 ( 1.182 5.583 0.679) 5.747 4.941 ( -1.528 1.844 -0.659) 2.484 5.231 ( 0.220 4.217 -0.905) 4.319 5.605 ( -0.565 3.213 -2.206) 3.938 6.187 ( -0.681 4.466 0.686) 4.569 6.245 ( -0.041 1.630 -0.981) 1.903 6.571 ( -1.096 0.274 0.055) 1.131 6.637 ( 1.532 -3.340 0.248) 3.683 6.671 ( -0.717 1.338 -0.090) 1.521 6.767 ( -0.569 -0.255 0.244) 0.670 6.815 ( 1.645 -4.700 0.137) 4.981 6.920 ( 1.910 -5.372 0.891) 5.771 7.099 ( -0.553 -1.830 -2.889) 3.464 7.275 ( 0.603 -0.825 0.402) 1.098 7.341 ( 0.187 -0.652 0.056) 0.680 7.421 ( 0.465 -1.264 -1.222) 1.819 7.476 ( 1.006 1.964 1.458) 2.644 7.582 ( -0.834 -2.879 0.152) 3.001 7.799 ( 0.198 -0.367 -0.299) 0.513 8.467 ( 0.147 0.632 -0.775) 1.011 8.486 ( -0.515 -0.776 -0.667) 1.146 ======================= Grid point 352 (149/231) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 4.910 7.846 5.648) 10.843 2.122 ( 4.046 5.258 1.061) 6.719 2.241 ( 3.481 2.070 -5.700) 6.992 2.291 ( 0.063 2.508 2.502) 3.543 2.301 ( 0.717 5.880 -4.895) 7.685 2.468 ( -1.870 -1.105 -2.270) 3.142 2.667 ( 1.629 8.282 3.970) 9.328 2.780 ( 8.856 -5.761 7.006) 12.677 2.831 ( 6.129 -1.261 2.009) 6.572 3.131 ( 1.413 -5.383 -1.945) 5.895 3.336 ( 1.250 0.049 -3.046) 3.293 3.400 ( 3.011 1.223 7.143) 7.848 3.592 ( -5.443 -3.308 3.094) 7.082 3.704 ( -7.520 -3.005 -0.254) 8.102 3.789 ( -7.933 -2.333 -3.751) 9.080 4.684 ( 0.179 10.941 0.684) 10.964 4.837 ( -1.496 6.881 -1.344) 7.168 5.070 ( -0.302 10.720 -1.486) 10.827 5.494 ( -1.273 5.912 -2.365) 6.493 6.086 ( 0.324 4.266 0.385) 4.295 6.159 ( 0.221 5.441 -0.456) 5.465 6.606 ( -0.103 -4.155 0.562) 4.194 6.693 ( -0.071 -3.939 -1.256) 4.135 6.735 ( 0.881 -5.971 0.703) 6.077 6.819 ( -0.708 -5.020 0.591) 5.104 6.958 ( 3.222 -6.710 1.439) 7.581 7.051 ( 1.937 -5.957 1.481) 6.437 7.148 ( -0.304 -3.240 -3.803) 5.006 7.300 ( 0.091 -1.304 -1.074) 1.692 7.381 ( 1.171 -2.630 0.890) 3.013 7.437 ( -1.704 -0.509 -1.707) 2.465 7.473 ( 2.945 -1.092 0.391) 3.165 7.639 ( -0.448 -2.669 0.522) 2.756 7.815 ( 0.450 -1.085 -0.328) 1.220 8.452 ( -0.057 0.736 -0.566) 0.930 8.505 ( -1.133 -1.545 -0.642) 2.021 ======================= Grid point 353 (150/231) ======================= q-point: (-0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 4.265 12.620 7.748) 15.411 1.991 ( 4.788 10.014 -0.960) 11.141 2.136 ( 1.454 9.449 -1.418) 9.665 2.223 ( 5.001 2.966 -1.039) 5.907 2.251 ( -1.665 3.892 -5.099) 6.627 2.427 ( 1.026 3.900 1.731) 4.388 2.579 ( 0.328 0.726 0.747) 1.092 2.766 ( 5.789 6.423 -0.761) 8.680 2.983 ( 8.616 -1.979 6.151) 10.769 3.214 ( -0.325 0.298 -0.861) 0.967 3.268 ( 2.733 6.269 -1.314) 6.964 3.347 ( 0.975 6.043 5.010) 7.910 3.559 ( -8.084 4.643 2.605) 9.680 3.686 ( -8.529 2.880 -0.510) 9.017 3.723 ( -5.225 3.705 1.074) 6.495 4.437 ( -1.874 12.481 -1.845) 12.755 4.700 ( -0.633 4.821 -1.372) 5.053 4.866 ( -0.325 7.355 -0.797) 7.405 5.406 ( -0.978 1.205 -2.453) 2.903 6.056 ( 1.032 -1.113 0.124) 1.523 6.088 ( 1.149 1.141 -0.269) 1.641 6.725 ( 0.250 -7.012 0.614) 7.043 6.808 ( 0.349 -7.063 -1.163) 7.167 6.879 ( 0.806 -7.428 0.668) 7.501 6.935 ( 0.979 -6.109 1.589) 6.388 7.093 ( 2.508 -5.082 1.851) 5.961 7.172 ( -0.597 -5.193 0.926) 5.309 7.219 ( 1.273 -4.242 -3.127) 5.422 7.324 ( -0.720 -1.326 -1.759) 2.317 7.430 ( -0.372 -0.795 -2.457) 2.609 7.453 ( 0.399 -3.015 1.468) 3.377 7.535 ( 1.154 -3.732 -0.833) 3.994 7.675 ( 0.175 -0.836 0.914) 1.251 7.846 ( 0.412 -1.874 -0.394) 1.959 8.441 ( 0.258 0.265 -0.111) 0.386 8.537 ( -1.434 -2.434 -0.911) 2.969 ======================= Grid point 354 (151/231) ======================= q-point: (-0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 2.896 14.594 8.071) 16.927 1.774 ( 0.471 13.117 -4.792) 13.973 1.867 ( -0.022 16.907 4.224) 17.427 2.128 ( -1.588 7.095 -9.556) 12.008 2.177 ( 6.265 5.148 3.006) 8.648 2.374 ( -1.839 2.423 -0.632) 3.107 2.537 ( 9.779 14.128 7.181) 18.623 2.613 ( -3.249 2.811 -3.229) 5.375 2.884 ( 1.484 14.224 3.352) 14.688 2.999 ( -0.510 15.469 1.118) 15.517 3.128 ( -2.811 13.162 4.730) 14.266 3.258 ( 3.097 6.731 -2.487) 7.815 3.312 ( -4.269 17.304 -0.346) 17.826 3.485 ( -5.040 4.777 -1.270) 7.059 3.664 ( -4.265 3.094 1.928) 5.611 4.230 ( -1.384 5.199 -1.200) 5.512 4.651 ( 0.507 0.283 -1.101) 1.245 4.824 ( 0.505 -2.690 0.302) 2.754 5.429 ( -0.559 -3.317 -2.368) 4.113 6.120 ( 0.637 -3.654 -0.170) 3.713 6.131 ( 0.493 -4.903 -0.573) 4.960 6.854 ( -0.282 -5.026 -0.003) 5.034 6.937 ( 0.403 -4.199 0.580) 4.258 7.031 ( 0.967 -7.916 0.675) 8.004 7.076 ( 3.015 -5.988 0.764) 6.748 7.200 ( 1.776 -4.628 1.572) 5.200 7.240 ( -1.339 -2.546 -2.078) 3.549 7.314 ( 1.383 -3.194 0.498) 3.516 7.351 ( -1.543 -2.981 -1.286) 3.595 7.444 ( 0.396 -1.231 -0.609) 1.429 7.543 ( -0.036 -5.627 0.652) 5.665 7.622 ( -1.228 -4.849 -2.316) 5.512 7.677 ( 0.635 0.776 1.098) 1.487 7.896 ( 0.122 -3.065 -0.443) 3.099 8.451 ( 1.019 -1.053 0.468) 1.539 8.587 ( -1.484 -3.365 -1.444) 3.951 ======================= Grid point 355 (152/231) ======================= q-point: (-0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 3.406 14.636 8.754) 17.391 1.431 ( -5.816 18.715 -1.376) 19.646 1.553 ( -1.799 13.407 0.482) 13.536 1.916 ( -4.249 17.502 -8.992) 20.130 1.973 ( 1.971 15.731 -0.657) 15.868 2.215 ( 7.799 12.260 13.330) 19.719 2.313 ( 1.951 8.744 2.736) 9.367 2.562 ( 0.889 7.635 1.267) 7.790 2.584 ( -0.616 13.159 1.511) 13.260 2.663 ( -5.750 11.205 -2.280) 12.799 2.796 ( -4.571 16.709 -0.139) 17.324 2.880 ( -2.300 21.440 0.298) 21.565 3.021 ( 0.758 14.197 -4.028) 14.777 3.445 ( 1.171 2.595 0.967) 3.006 3.613 ( -4.328 -2.115 -2.791) 5.568 4.215 ( 0.875 -2.088 1.327) 2.624 4.675 ( 0.528 -1.922 -1.251) 2.354 4.926 ( 1.410 -5.719 1.551) 6.091 5.501 ( -0.117 -3.761 -2.266) 4.392 6.201 ( -0.126 -4.010 -0.368) 4.029 6.240 ( -0.524 -5.375 -1.401) 5.579 6.916 ( -0.021 -1.548 0.007) 1.548 6.977 ( -0.298 -0.332 0.607) 0.753 7.159 ( 2.286 -0.829 0.151) 2.437 7.197 ( 2.197 -6.891 1.864) 7.469 7.228 ( -1.757 0.499 -1.170) 2.169 7.338 ( -0.055 -4.215 -0.244) 4.223 7.359 ( 2.376 -2.936 -0.287) 3.788 7.415 ( -1.702 -2.822 0.121) 3.298 7.494 ( 2.202 -3.150 1.810) 4.248 7.662 ( -0.858 -1.815 0.011) 2.008 7.665 ( 0.471 -4.153 0.655) 4.231 7.708 ( -2.221 -4.280 -2.690) 5.522 7.972 ( -0.174 -4.580 -0.291) 4.592 8.495 ( 1.630 -2.449 0.921) 3.083 8.650 ( -1.373 -3.659 -1.990) 4.386 ======================= Grid point 356 (153/231) ======================= q-point: (-0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.768 15.408 9.524) 18.200 1.057 ( -1.141 15.844 7.221) 17.449 1.281 ( -7.117 14.082 -4.553) 16.423 1.453 ( -0.850 13.762 -4.166) 14.404 1.748 ( 3.672 12.064 4.545) 13.405 1.943 ( -3.190 12.209 5.418) 13.733 2.196 ( 2.928 7.869 3.161) 8.971 2.301 ( 2.211 8.895 2.250) 9.438 2.383 ( 1.889 9.867 2.957) 10.473 2.464 ( -0.862 14.998 -0.816) 15.045 2.521 ( -4.225 7.799 -1.993) 9.091 2.560 ( -7.243 3.013 -5.770) 9.738 2.812 ( 0.763 5.483 -3.545) 6.574 3.400 ( 1.713 2.032 3.320) 4.253 3.654 ( -2.657 -2.703 -4.364) 5.781 4.271 ( 1.150 -2.181 1.686) 2.988 4.713 ( 0.091 -1.493 -1.391) 2.042 5.035 ( 1.439 -3.759 2.068) 4.525 5.563 ( 0.761 -2.300 -2.334) 3.364 6.267 ( -0.219 -2.517 -0.084) 2.528 6.322 ( -1.481 -3.323 -2.517) 4.424 6.930 ( 0.405 -0.121 0.343) 0.544 6.966 ( -0.708 0.803 0.209) 1.091 7.160 ( 1.254 0.950 0.592) 1.681 7.197 ( -1.509 0.974 -1.245) 2.185 7.324 ( 2.327 -3.947 2.534) 5.236 7.352 ( 0.432 0.370 -0.049) 0.570 7.421 ( -0.194 0.759 0.917) 1.206 7.455 ( 0.771 -2.815 -0.260) 2.931 7.580 ( 2.670 -3.216 1.664) 4.499 7.684 ( -0.686 -1.876 -0.119) 2.001 7.753 ( -2.550 -2.923 -2.047) 4.386 7.770 ( -0.076 -3.093 -0.750) 3.183 8.062 ( -0.055 -3.900 0.050) 3.901 8.554 ( 1.593 -2.154 1.063) 2.882 8.706 ( -1.177 -2.479 -2.280) 3.568 ======================= Grid point 358 (154/231) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 7.274 -0.000 7.321) 10.321 0.945 ( 10.851 -0.000 10.042) 14.785 0.990 ( 1.065 -0.000 -6.027) 6.120 1.333 ( 1.972 -0.000 -9.499) 9.702 1.752 ( 7.205 -0.000 6.743) 9.868 1.786 ( 1.414 -0.000 5.332) 5.516 2.080 ( -0.455 0.000 1.199) 1.283 2.236 ( 0.690 -0.000 1.797) 1.925 2.289 ( -6.270 0.000 -2.062) 6.600 2.297 ( 1.535 -0.000 -2.302) 2.767 2.430 ( 1.159 -0.000 0.239) 1.184 2.456 ( 2.336 -0.000 3.397) 4.123 2.758 ( -1.332 0.000 -2.721) 3.030 3.412 ( 0.362 -0.000 1.224) 1.277 3.646 ( -0.962 0.000 -1.794) 2.036 4.294 ( -1.615 0.000 1.045) 1.923 4.719 ( -0.861 0.000 -0.778) 1.161 5.086 ( -0.380 0.000 0.680) 0.779 5.602 ( 1.134 -0.000 -3.614) 3.787 6.282 ( -1.577 0.000 0.691) 1.722 6.325 ( -0.675 0.000 -0.275) 0.729 6.933 ( -0.454 0.000 -0.031) 0.455 6.956 ( 0.827 -0.000 0.599) 1.021 7.162 ( -0.313 0.000 -0.423) 0.526 7.177 ( 1.537 -0.000 0.126) 1.542 7.348 ( -0.340 0.000 -0.154) 0.373 7.378 ( 2.056 -0.000 0.626) 2.150 7.445 ( 1.211 -0.000 1.786) 2.158 7.473 ( -1.765 0.000 -1.938) 2.621 7.618 ( -2.050 0.000 -0.924) 2.248 7.726 ( 2.730 -0.000 2.543) 3.731 7.745 ( -0.178 0.000 -2.515) 2.521 7.807 ( -0.133 0.000 -0.132) 0.187 8.112 ( 0.838 -0.000 -0.200) 0.862 8.591 ( -0.285 0.000 -0.198) 0.347 8.718 ( 0.164 -0.000 -1.043) 1.056 ======================= Grid point 359 (155/231) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 5.614 -11.616 8.624) 15.519 1.083 ( -0.273 -8.612 -4.706) 9.817 1.317 ( 9.587 -14.622 12.316) 21.387 1.454 ( 4.861 -16.357 -10.302) 19.932 1.788 ( -2.067 -4.143 -3.363) 5.722 2.032 ( 7.807 -17.552 5.954) 20.111 2.215 ( -4.458 -11.101 -1.168) 12.019 2.287 ( -4.332 -5.408 0.532) 6.950 2.394 ( 2.271 -10.421 2.014) 10.854 2.451 ( 4.090 -12.485 1.133) 13.186 2.503 ( 3.266 -6.415 3.933) 8.203 2.536 ( 1.940 -8.269 0.382) 8.502 2.797 ( -0.776 -6.015 -3.379) 6.943 3.432 ( -0.604 -1.994 -0.326) 2.109 3.612 ( -0.012 2.763 0.508) 2.809 4.266 ( -1.607 1.801 0.704) 2.514 4.700 ( -1.007 1.255 -0.644) 1.734 5.044 ( -0.965 3.836 -0.004) 3.956 5.576 ( 0.793 2.741 -3.186) 4.277 6.251 ( -0.989 2.344 0.851) 2.683 6.298 ( 0.038 2.533 0.319) 2.554 6.931 ( -0.296 0.076 -0.116) 0.327 6.968 ( 0.645 -0.585 0.715) 1.127 7.166 ( -0.763 -0.511 -0.911) 1.294 7.195 ( 1.651 -0.666 0.546) 1.862 7.336 ( -0.288 2.228 -0.045) 2.247 7.362 ( -0.016 2.108 -0.892) 2.289 7.434 ( 0.509 2.367 0.872) 2.573 7.452 ( 0.047 0.534 -0.884) 1.034 7.580 ( -2.344 2.366 -1.145) 3.522 7.711 ( 0.849 2.139 -1.140) 2.568 7.724 ( 2.501 2.721 2.177) 4.289 7.772 ( 0.089 3.309 -0.360) 3.330 8.072 ( 0.866 4.120 -0.368) 4.226 8.564 ( -0.950 2.071 -1.025) 2.498 8.695 ( 0.794 2.387 -0.235) 2.526 ======================= Grid point 360 (156/231) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -2.157 -12.313 -2.807) 12.812 1.321 ( 1.368 -16.598 8.738) 18.808 1.601 ( 5.614 -12.880 6.704) 15.567 1.835 ( -0.989 -10.669 -2.484) 10.999 1.948 ( -2.024 -14.647 -0.385) 14.791 2.316 ( -4.327 -5.361 -4.745) 8.365 2.376 ( -5.593 -12.106 -5.053) 14.261 2.549 ( 0.549 -6.063 1.725) 6.327 2.568 ( 5.548 -16.740 8.130) 19.420 2.678 ( 2.639 -12.881 -0.334) 13.153 2.819 ( 4.758 -18.562 4.236) 19.625 2.893 ( 5.451 -22.204 0.190) 22.864 3.027 ( 1.186 -15.771 -3.879) 16.284 3.470 ( -3.016 -2.036 -3.877) 5.317 3.572 ( 4.140 0.619 5.637) 7.021 4.223 ( -0.242 1.436 -0.009) 1.457 4.666 ( -0.739 1.341 -0.936) 1.795 4.934 ( -1.199 6.090 -0.544) 6.230 5.502 ( 0.495 4.481 -1.982) 4.925 6.183 ( -0.830 3.950 0.821) 4.119 6.226 ( 0.148 4.634 0.095) 4.637 6.918 ( 0.319 1.455 -0.120) 1.494 6.974 ( -0.195 0.584 0.861) 1.058 7.157 ( -1.807 1.187 -1.657) 2.724 7.195 ( -0.478 4.045 0.640) 4.124 7.233 ( 0.972 3.998 -0.309) 4.126 7.335 ( 0.056 1.674 0.412) 1.725 7.344 ( -2.104 5.082 -1.170) 5.623 7.433 ( 2.042 3.001 0.390) 3.651 7.509 ( -1.846 3.268 -1.920) 4.216 7.656 ( 1.467 5.293 2.662) 6.104 7.672 ( -0.248 2.705 -0.993) 2.892 7.697 ( 1.679 2.855 0.051) 3.313 7.977 ( 0.512 4.964 -0.451) 5.010 8.510 ( -1.037 2.341 -1.753) 3.102 8.640 ( 1.388 3.397 0.422) 3.694 ======================= Grid point 361 (157/231) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -3.412 -13.998 -2.144) 14.566 1.639 ( -3.687 -14.765 6.149) 16.413 1.883 ( 2.719 -11.330 8.864) 14.640 1.969 ( -6.023 -6.522 -0.604) 8.898 2.144 ( -6.348 -6.775 -0.893) 9.327 2.363 ( 1.190 -1.456 1.894) 2.669 2.594 ( -5.294 -11.563 -3.992) 13.330 2.599 ( -0.522 -1.459 -1.633) 2.251 2.898 ( -3.733 -11.466 1.612) 12.166 2.997 ( 2.277 -15.162 -0.751) 15.351 3.156 ( 0.098 -8.050 3.198) 8.663 3.281 ( 1.915 -11.615 -5.520) 13.001 3.381 ( 6.421 -18.424 0.450) 19.516 3.556 ( 6.462 -9.372 -2.550) 11.666 3.662 ( 3.715 -5.598 5.858) 8.914 4.243 ( 2.062 -4.273 -0.504) 4.772 4.653 ( 0.001 -0.758 -1.549) 1.725 4.822 ( -0.600 3.189 -0.266) 3.256 5.414 ( 0.419 3.822 -0.575) 3.888 6.098 ( -1.568 3.393 0.570) 3.781 6.125 ( -0.359 4.821 -0.466) 4.857 6.864 ( 0.953 4.599 -0.317) 4.707 6.915 ( -1.754 5.575 1.056) 5.939 7.040 ( 0.130 7.581 -0.650) 7.610 7.094 ( -2.009 4.246 -2.846) 5.492 7.196 ( 1.052 3.005 2.390) 3.981 7.221 ( -2.893 4.743 -2.285) 6.008 7.302 ( -0.229 2.505 1.031) 2.719 7.354 ( 1.147 5.156 0.065) 5.282 7.436 ( -0.625 2.933 -0.633) 3.065 7.545 ( -0.261 5.270 0.894) 5.351 7.592 ( 1.040 4.517 1.090) 4.762 7.691 ( -0.141 -0.306 -0.442) 0.556 7.895 ( -0.029 3.284 -0.466) 3.317 8.469 ( -0.500 1.104 -1.983) 2.324 8.583 ( 1.756 2.976 0.591) 3.506 ======================= Grid point 362 (158/231) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -5.792 -12.432 -3.378) 14.125 1.880 ( -7.305 -11.902 3.603) 14.422 2.042 ( -0.541 -2.893 9.966) 10.391 2.055 ( -5.321 -5.754 2.349) 8.181 2.227 ( -4.861 -5.757 -0.557) 7.555 2.407 ( 0.739 -1.638 3.361) 3.811 2.632 ( 0.561 -2.988 -3.126) 4.361 2.734 ( -5.269 -5.566 -3.042) 8.246 2.953 ( -7.401 1.552 0.627) 7.588 3.180 ( 1.909 1.524 1.987) 3.149 3.238 ( -2.480 -6.074 -1.829) 6.811 3.450 ( -3.652 -5.220 -4.468) 7.782 3.655 ( 4.931 -4.464 0.554) 6.674 3.782 ( 11.392 -4.972 -0.327) 12.434 3.789 ( 7.143 -3.095 0.599) 7.808 4.437 ( 2.210 -12.860 0.192) 13.050 4.706 ( 1.129 -4.579 -0.996) 4.821 4.856 ( 0.326 -6.954 0.127) 6.963 5.387 ( 0.922 -1.496 0.195) 1.768 6.057 ( -0.890 0.395 -0.627) 1.159 6.066 ( -1.559 -1.254 0.065) 2.002 6.744 ( -0.365 6.806 -1.327) 6.944 6.772 ( -0.300 6.806 1.328) 6.941 6.894 ( 0.017 7.421 -0.844) 7.469 6.976 ( 0.122 6.644 -2.311) 7.036 7.100 ( -3.459 5.396 -1.817) 6.663 7.139 ( -0.588 4.010 3.000) 5.042 7.203 ( -1.120 5.454 -1.955) 5.901 7.293 ( 1.460 1.925 2.270) 3.315 7.391 ( 0.320 1.625 1.722) 2.389 7.469 ( -1.135 1.914 -0.606) 2.306 7.509 ( -1.097 3.806 0.143) 3.964 7.683 ( -0.131 1.208 0.173) 1.228 7.842 ( -0.340 1.923 -0.447) 2.003 8.457 ( 0.140 0.004 -1.725) 1.731 8.542 ( 1.739 2.120 0.250) 2.753 ======================= Grid point 363 (159/231) ======================= q-point: ( 0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -6.354 -5.736 -3.089) 9.101 2.048 ( -3.099 -5.607 4.189) 7.654 2.081 ( -6.862 -6.397 4.119) 10.245 2.188 ( -1.042 -8.617 4.807) 9.922 2.292 ( -3.147 -2.411 1.883) 4.389 2.428 ( 2.200 0.443 3.872) 4.475 2.721 ( -1.864 -4.847 -3.593) 6.315 2.785 ( -2.952 -2.280 -1.930) 4.200 2.854 ( -6.231 2.518 -2.703) 7.244 3.073 ( -2.008 7.821 0.112) 8.076 3.271 ( -1.417 0.660 1.553) 2.204 3.478 ( -3.940 -0.729 -1.944) 4.454 3.648 ( 2.953 5.602 1.525) 6.514 3.810 ( 8.817 4.922 -2.573) 10.420 3.847 ( 8.907 3.072 -0.638) 9.443 4.700 ( -0.639 -11.527 -1.328) 11.621 4.833 ( 2.083 -6.266 0.962) 6.673 5.052 ( 0.410 -10.592 0.235) 10.602 5.484 ( 1.494 -6.615 -0.359) 6.791 6.106 ( 0.529 -5.210 -1.369) 5.413 6.141 ( -0.855 -5.657 0.702) 5.764 6.631 ( -0.218 3.773 -1.672) 4.132 6.659 ( 0.483 4.221 1.642) 4.555 6.758 ( -0.311 5.298 -1.541) 5.527 6.842 ( 1.643 6.413 -0.173) 6.623 6.948 ( -4.189 7.284 -1.512) 8.537 7.027 ( -2.315 6.149 1.752) 6.800 7.123 ( -0.044 2.569 -1.431) 2.941 7.276 ( 0.820 0.740 1.557) 1.909 7.373 ( 0.152 0.553 1.241) 1.367 7.423 ( -0.849 3.033 -0.331) 3.167 7.460 ( -1.915 -0.720 -0.531) 2.113 7.640 ( 0.186 3.037 0.935) 3.183 7.811 ( -0.353 1.033 -0.392) 1.160 8.461 ( 0.359 -0.332 -1.325) 1.412 8.514 ( 1.328 1.518 -0.273) 2.035 ======================= Grid point 364 (160/231) ======================= q-point: ( 0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -0.821 -1.319 -0.211) 1.568 2.132 ( -1.783 -5.797 3.662) 7.085 2.213 ( -5.292 -6.284 0.026) 8.216 2.274 ( -2.773 -1.114 2.525) 3.912 2.399 ( 1.221 -5.617 3.173) 6.566 2.430 ( 4.588 -1.897 5.306) 7.266 2.646 ( -5.694 7.110 -6.072) 10.947 2.804 ( -0.478 -0.629 -1.513) 1.707 2.887 ( -2.357 -1.553 -3.239) 4.296 2.952 ( -0.758 -0.954 4.121) 4.297 3.249 ( -1.068 0.129 1.265) 1.660 3.460 ( 0.090 1.419 2.500) 2.876 3.533 ( 0.217 4.757 -0.036) 4.762 3.730 ( 3.511 4.722 -3.165) 6.682 3.781 ( 4.509 6.019 -1.754) 7.723 4.859 ( -2.023 -4.861 -2.224) 5.716 4.937 ( 2.254 -2.105 2.142) 3.755 5.222 ( 0.063 -5.092 -0.241) 5.098 5.604 ( 0.935 -3.372 -1.480) 3.800 6.216 ( 0.220 -3.547 -0.916) 3.669 6.224 ( 0.264 -1.870 0.462) 1.944 6.587 ( -0.637 1.107 -0.797) 1.505 6.614 ( 1.517 0.778 1.552) 2.305 6.700 ( -0.238 0.849 -2.012) 2.197 6.777 ( 1.010 0.467 0.228) 1.136 6.800 ( -1.510 4.151 -0.178) 4.421 6.899 ( -1.912 4.195 1.049) 4.728 7.087 ( 0.214 0.848 -1.333) 1.594 7.271 ( 0.304 0.073 0.632) 0.705 7.349 ( -0.215 1.462 -0.847) 1.703 7.397 ( -1.099 -0.796 0.338) 1.398 7.484 ( -0.377 -1.921 -0.219) 1.970 7.577 ( 0.360 2.925 1.419) 3.270 7.797 ( -0.113 0.219 -0.302) 0.389 8.468 ( 0.104 -0.297 -0.985) 1.034 8.493 ( 0.658 1.143 -0.619) 1.457 ======================= Grid point 365 (161/231) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.720 0.194 1.856) 3.298 2.195 ( 1.118 1.806 1.678) 2.707 2.258 ( -1.192 -2.789 0.106) 3.035 2.314 ( 1.033 -1.538 2.284) 2.941 2.395 ( -4.265 1.014 -3.391) 5.542 2.463 ( -0.036 5.588 -4.562) 7.214 2.653 ( 7.396 -9.643 9.370) 15.346 2.793 ( 1.903 3.093 2.331) 4.315 2.857 ( -1.451 0.360 -0.312) 1.528 3.043 ( 2.248 -4.580 -0.674) 5.146 3.283 ( -0.773 -3.820 -1.215) 4.083 3.429 ( 2.048 1.173 6.556) 6.968 3.521 ( -1.730 -2.585 -0.153) 3.114 3.669 ( 1.130 3.384 -0.676) 3.631 3.697 ( -6.052 -0.241 -5.142) 7.945 4.858 ( 0.077 4.577 0.414) 4.596 4.932 ( -0.035 3.144 -0.086) 3.145 5.229 ( -0.272 4.356 -1.195) 4.525 5.597 ( -0.361 3.938 -1.948) 4.409 6.182 ( -0.432 4.376 0.435) 4.419 6.241 ( -0.412 1.889 -0.826) 2.103 6.561 ( -0.943 -0.140 0.269) 0.991 6.645 ( 0.317 -2.238 -1.810) 2.896 6.672 ( 0.637 0.623 1.600) 1.831 6.758 ( -1.014 0.065 -0.297) 1.058 6.838 ( 2.549 -6.473 0.992) 7.027 6.939 ( 1.450 -6.059 0.850) 6.288 7.094 ( 0.346 -1.543 -2.115) 2.641 7.279 ( -0.009 -0.684 -0.497) 0.846 7.345 ( 0.594 -1.232 0.331) 1.407 7.410 ( -1.678 -1.017 -1.564) 2.509 7.498 ( 2.313 1.312 1.402) 3.007 7.572 ( -1.101 -2.883 0.151) 3.090 7.800 ( 0.195 -0.523 -0.281) 0.625 8.468 ( 0.158 0.670 -0.702) 0.983 8.480 ( -0.434 -0.287 -0.700) 0.872 ======================= Grid point 366 (162/231) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 4.638 7.344 6.703) 10.971 2.151 ( 1.732 2.798 -0.220) 3.298 2.261 ( 0.315 1.747 -4.332) 4.681 2.268 ( -0.913 6.106 -2.770) 6.767 2.339 ( 3.701 1.890 2.188) 4.697 2.448 ( -0.984 -1.069 -2.192) 2.630 2.676 ( -0.722 7.565 2.430) 7.979 2.845 ( 3.295 -2.335 -0.885) 4.134 2.914 ( 7.599 -6.293 6.272) 11.691 3.166 ( 5.532 -5.094 0.312) 7.527 3.338 ( 0.113 -0.695 -2.500) 2.597 3.436 ( 1.540 1.185 6.837) 7.108 3.538 ( -5.267 -0.299 3.487) 6.323 3.642 ( -4.577 -1.416 -1.381) 4.986 3.703 ( -6.799 -2.744 -3.881) 8.296 4.688 ( 0.372 11.951 1.073) 12.005 4.821 ( -1.102 6.873 -1.567) 7.135 5.063 ( -0.637 10.770 -1.470) 10.888 5.478 ( -1.080 6.050 -2.124) 6.502 6.091 ( 0.524 3.738 0.075) 3.775 6.159 ( -0.053 4.804 -0.228) 4.809 6.606 ( -0.175 -4.562 0.434) 4.586 6.690 ( -0.060 -4.069 -1.110) 4.218 6.746 ( 1.023 -5.960 0.610) 6.078 6.814 ( -0.387 -5.494 0.099) 5.508 6.994 ( 2.867 -6.420 2.355) 7.415 7.072 ( 1.596 -5.819 1.989) 6.353 7.141 ( 0.198 -3.119 -3.565) 4.741 7.293 ( -1.017 -1.105 -2.115) 2.594 7.396 ( 1.478 -2.668 0.355) 3.071 7.416 ( -1.883 -0.771 -1.277) 2.402 7.501 ( 2.202 -0.668 0.407) 2.337 7.635 ( -0.563 -3.085 0.387) 3.160 7.818 ( 0.332 -1.146 -0.336) 1.239 8.452 ( 0.179 0.715 -0.382) 0.830 8.493 ( -0.947 -1.288 -0.754) 1.768 ======================= Grid point 367 (163/231) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 2.580 13.090 7.481) 15.296 2.031 ( 2.769 10.899 -0.411) 11.252 2.147 ( 0.521 8.844 -0.274) 8.864 2.223 ( -0.457 3.597 -7.736) 8.544 2.270 ( 2.301 3.205 2.353) 4.594 2.424 ( -1.406 3.124 0.113) 3.428 2.576 ( -0.762 1.103 0.152) 1.349 2.840 ( 8.148 5.672 1.000) 9.978 3.041 ( -0.092 -0.537 1.644) 1.732 3.219 ( 3.785 4.652 0.718) 6.040 3.319 ( 6.089 2.214 -0.734) 6.521 3.350 ( -2.361 8.167 4.398) 9.571 3.481 ( -6.414 4.097 2.099) 7.895 3.607 ( -5.957 4.782 -0.825) 7.683 3.690 ( -2.153 0.872 2.262) 3.242 4.418 ( -1.256 13.505 -1.895) 13.694 4.693 ( -0.344 4.236 -1.318) 4.450 4.861 ( -0.381 7.017 -0.577) 7.051 5.393 ( -0.869 1.012 -2.173) 2.549 6.065 ( 0.699 -1.039 -0.079) 1.254 6.097 ( 0.571 0.891 -0.074) 1.061 6.727 ( 0.012 -6.919 0.269) 6.925 6.809 ( -0.020 -7.348 -0.579) 7.371 6.890 ( 0.920 -7.159 0.435) 7.231 6.950 ( 1.480 -7.447 1.064) 7.666 7.116 ( 0.999 -4.873 1.748) 5.272 7.173 ( 0.972 -3.216 1.383) 3.633 7.226 ( 0.562 -5.401 -2.233) 5.871 7.309 ( -1.512 -1.332 -2.484) 3.199 7.421 ( -0.741 -0.948 -1.683) 2.069 7.461 ( 0.762 -3.087 0.705) 3.257 7.543 ( 0.453 -2.609 -0.696) 2.738 7.678 ( 0.123 -1.182 0.677) 1.368 7.849 ( 0.246 -1.819 -0.418) 1.882 8.446 ( 0.599 0.007 0.085) 0.605 8.522 ( -1.140 -2.264 -1.088) 2.759 ======================= Grid point 368 (164/231) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 2.367 14.308 7.562) 16.355 1.764 ( -1.550 16.293 -3.099) 16.658 1.863 ( -1.733 16.505 3.589) 16.979 2.096 ( -1.678 7.466 -8.513) 11.447 2.237 ( 4.107 6.769 2.717) 8.371 2.347 ( -2.482 1.675 -0.523) 3.040 2.571 ( -2.454 0.230 -2.468) 3.488 2.671 ( 11.664 16.192 7.990) 21.496 2.877 ( -3.306 13.875 0.243) 14.265 3.004 ( -0.331 17.390 3.734) 17.789 3.099 ( -1.919 14.543 0.707) 14.686 3.268 ( -3.032 16.000 1.231) 16.331 3.299 ( 4.134 9.707 -4.716) 11.556 3.450 ( -1.504 0.556 -0.110) 1.607 3.629 ( -2.980 4.897 2.157) 6.125 4.219 ( -0.372 3.997 -1.038) 4.146 4.654 ( 0.353 0.072 -1.118) 1.175 4.828 ( 0.277 -3.328 0.372) 3.360 5.420 ( -0.414 -3.516 -2.113) 4.122 6.124 ( 0.171 -3.445 0.061) 3.450 6.133 ( 0.046 -4.439 -0.549) 4.473 6.851 ( -0.144 -4.936 -0.139) 4.940 6.940 ( -0.085 -4.198 0.879) 4.290 7.041 ( 0.679 -8.355 0.287) 8.387 7.108 ( 2.763 -5.957 0.420) 6.580 7.201 ( -1.691 -2.878 -0.883) 3.453 7.241 ( 1.785 -3.929 1.039) 4.439 7.327 ( 0.954 -3.333 0.302) 3.480 7.331 ( -1.767 -2.831 -1.511) 3.664 7.450 ( 0.667 -2.241 -0.002) 2.338 7.545 ( 0.108 -5.240 0.520) 5.267 7.603 ( -1.640 -3.825 -2.277) 4.743 7.684 ( 0.486 0.616 0.705) 1.055 7.896 ( 0.084 -2.950 -0.484) 2.990 8.463 ( 1.102 -1.371 0.492) 1.827 8.571 ( -1.084 -3.275 -1.548) 3.781 ======================= Grid point 369 (165/231) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 3.202 14.233 7.736) 16.513 1.372 ( -4.786 18.839 -0.736) 19.452 1.540 ( -1.017 15.109 2.613) 15.366 1.867 ( -2.209 17.046 -8.640) 19.238 1.986 ( 0.272 14.766 -0.654) 14.782 2.326 ( 8.641 7.583 12.090) 16.683 2.336 ( 2.635 15.495 4.197) 16.268 2.547 ( -5.490 5.549 -5.235) 9.399 2.577 ( -1.434 9.567 2.775) 10.064 2.621 ( 0.411 18.137 0.666) 18.154 2.766 ( -0.939 16.667 -0.520) 16.701 2.863 ( -1.098 21.346 0.223) 21.376 3.020 ( 0.590 14.831 -4.881) 15.624 3.469 ( 2.660 2.829 3.919) 5.517 3.566 ( -3.775 -3.084 -4.031) 6.326 4.223 ( 0.385 -2.508 0.936) 2.705 4.676 ( 0.083 -1.810 -1.132) 2.137 4.939 ( 0.638 -6.095 1.089) 6.224 5.499 ( 0.367 -4.064 -2.298) 4.683 6.199 ( -0.399 -3.868 0.089) 3.889 6.231 ( -0.661 -4.860 -0.938) 4.993 6.916 ( 0.029 -1.744 -0.025) 1.745 6.975 ( -0.252 -0.090 0.730) 0.778 7.180 ( 1.711 -0.538 0.072) 1.795 7.204 ( -1.714 -0.078 -1.139) 2.059 7.219 ( 0.855 -7.179 1.141) 7.319 7.337 ( -0.128 -2.999 -0.081) 3.003 7.384 ( 2.360 -3.207 -0.318) 3.995 7.395 ( -2.050 -3.219 -0.408) 3.838 7.521 ( 1.950 -3.865 1.789) 4.685 7.649 ( -1.451 -3.080 -0.071) 3.405 7.672 ( 0.757 -3.449 0.124) 3.533 7.686 ( -1.168 -3.136 -1.841) 3.820 7.971 ( 0.121 -4.555 -0.388) 4.573 8.511 ( 1.106 -2.601 0.602) 2.890 8.635 ( -0.806 -3.614 -1.793) 4.114 ======================= Grid point 372 (166/231) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 3.185 -0.000 -4.293) 5.345 1.081 ( 12.882 -0.000 2.156) 13.061 1.093 ( 12.876 -0.000 9.168) 15.806 1.370 ( 7.260 -0.000 -3.283) 7.968 1.729 ( -3.411 0.000 -8.107) 8.795 1.908 ( 11.614 -0.000 8.870) 14.614 2.074 ( -1.242 0.000 0.969) 1.576 2.220 ( -5.778 0.000 0.388) 5.791 2.248 ( 1.239 -0.000 1.219) 1.737 2.311 ( 1.902 -0.000 -2.613) 3.232 2.448 ( 2.092 -0.000 0.254) 2.107 2.517 ( 6.493 -0.000 9.736) 11.703 2.735 ( -2.026 0.000 -3.123) 3.722 3.408 ( -0.995 0.000 -1.902) 2.147 3.640 ( -0.150 0.000 2.184) 2.189 4.274 ( -2.324 0.000 0.551) 2.388 4.706 ( -1.438 0.000 -0.280) 1.465 5.076 ( -1.653 0.000 -0.537) 1.738 5.605 ( 0.650 -0.000 -3.591) 3.649 6.272 ( -0.435 0.000 1.327) 1.396 6.325 ( 0.393 -0.000 0.964) 1.041 6.927 ( -0.534 0.000 -0.228) 0.581 6.967 ( 1.120 -0.000 0.771) 1.360 7.158 ( -0.053 0.000 -0.901) 0.902 7.198 ( 2.088 -0.000 0.548) 2.158 7.348 ( 0.491 -0.000 -0.198) 0.530 7.404 ( 2.616 -0.000 0.473) 2.658 7.432 ( -2.544 0.000 -4.126) 4.847 7.469 ( 0.388 -0.000 1.476) 1.526 7.594 ( -2.034 0.000 -0.541) 2.105 7.738 ( 0.428 -0.000 -2.327) 2.366 7.771 ( 3.679 -0.000 3.075) 4.794 7.806 ( 0.234 -0.000 -0.076) 0.246 8.121 ( 1.048 -0.000 -0.499) 1.161 8.578 ( -1.783 0.000 -1.596) 2.392 8.725 ( 1.164 -0.000 0.384) 1.225 ======================= Grid point 373 (167/231) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 2.475 -9.690 -2.930) 10.422 1.127 ( 8.658 -5.604 8.674) 13.477 1.440 ( 10.160 -9.258 9.186) 16.532 1.505 ( 7.266 -17.663 -6.982) 20.335 1.760 ( -1.666 -4.282 -3.587) 5.829 2.079 ( -1.081 -10.802 -3.877) 11.528 2.162 ( -2.289 -7.395 -1.574) 7.900 2.281 ( 1.081 -11.147 4.668) 12.133 2.412 ( 0.941 -9.224 -0.621) 9.293 2.487 ( 3.420 -16.814 0.391) 17.163 2.560 ( 3.324 -9.887 1.117) 10.491 2.587 ( 8.793 -3.356 11.000) 14.477 2.782 ( -1.274 -7.156 -3.550) 8.089 3.413 ( -2.611 -1.377 -3.550) 4.617 3.625 ( 1.713 1.669 4.827) 5.387 4.248 ( -1.858 1.277 0.118) 2.258 4.686 ( -1.502 1.102 -0.309) 1.888 5.027 ( -2.059 3.728 -1.105) 4.400 5.577 ( 0.502 2.703 -3.000) 4.069 6.248 ( 0.101 2.427 1.527) 2.870 6.302 ( 0.597 2.623 0.933) 2.847 6.928 ( -0.308 -0.172 -0.257) 0.437 6.977 ( 0.762 -0.213 0.829) 1.146 7.159 ( -0.306 0.009 -0.980) 1.027 7.213 ( 1.613 -0.294 0.695) 1.780 7.333 ( -0.124 3.365 -1.717) 3.779 7.358 ( -0.297 1.768 -1.053) 2.079 7.436 ( -0.246 3.640 0.671) 3.709 7.459 ( 1.431 -1.219 -0.574) 1.966 7.555 ( -1.944 2.524 -1.058) 3.357 7.711 ( 0.026 2.327 -2.121) 3.149 7.763 ( 3.472 3.241 3.579) 5.947 7.776 ( 1.004 2.869 -0.387) 3.064 8.080 ( 0.931 4.245 -0.560) 4.382 8.546 ( -2.007 1.879 -2.110) 3.466 8.708 ( 1.465 2.324 0.878) 2.884 ======================= Grid point 374 (168/231) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -3.442 -12.004 -4.418) 13.246 1.371 ( 4.654 -12.146 11.891) 17.623 1.666 ( 4.233 -11.070 0.681) 11.871 1.821 ( -0.716 -6.884 5.397) 8.776 1.932 ( -1.204 -12.540 -0.133) 12.598 2.248 ( -6.766 -13.541 -8.046) 17.143 2.329 ( -1.899 -5.062 -2.191) 5.834 2.555 ( 0.123 -9.397 2.737) 9.789 2.616 ( 2.414 -13.154 0.564) 13.385 2.708 ( 3.090 -9.895 1.506) 10.475 2.866 ( 2.677 -18.327 4.281) 19.010 2.984 ( 11.186 -22.676 1.626) 25.337 3.032 ( 0.845 -15.893 -3.611) 16.320 3.432 ( -3.253 -3.382 -4.304) 6.368 3.627 ( 4.565 -0.517 7.121) 8.475 4.220 ( -0.192 0.363 -0.496) 0.644 4.655 ( -1.035 0.998 -0.954) 1.725 4.916 ( -1.842 5.686 -1.255) 6.107 5.504 ( 0.425 4.420 -1.656) 4.739 6.179 ( -0.330 4.474 1.292) 4.668 6.228 ( 0.253 4.957 0.205) 4.968 6.922 ( 0.452 1.032 -0.195) 1.143 6.973 ( -0.344 1.270 0.876) 1.581 7.138 ( -1.446 1.969 -1.625) 2.934 7.190 ( -0.520 5.422 -0.314) 5.456 7.243 ( 0.959 2.299 -0.034) 2.491 7.323 ( -1.550 5.752 -1.178) 6.073 7.339 ( 0.491 1.970 0.672) 2.139 7.452 ( 1.332 3.107 0.565) 3.427 7.489 ( -1.192 2.926 -2.375) 3.952 7.667 ( -0.326 2.126 -0.924) 2.341 7.676 ( 1.515 5.529 2.159) 6.126 7.718 ( 2.146 4.041 0.658) 4.622 7.982 ( 0.462 5.253 -0.488) 5.296 8.493 ( -1.472 1.918 -2.384) 3.395 8.658 ( 1.675 3.318 1.052) 3.863 ======================= Grid point 375 (169/231) ======================= q-point: ( 0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -6.311 -13.691 -3.913) 15.575 1.625 ( -1.167 -11.199 8.193) 13.925 1.875 ( -6.134 -9.134 -1.104) 11.058 1.964 ( 4.010 -6.483 12.929) 15.009 2.080 ( -5.396 -6.178 -1.217) 8.292 2.369 ( -0.985 -1.733 0.367) 2.027 2.499 ( -6.505 -11.579 -6.766) 14.905 2.635 ( 3.221 -1.763 1.760) 4.072 2.854 ( -4.825 -8.010 0.089) 9.351 3.009 ( 0.769 -15.028 -0.566) 15.058 3.167 ( 1.073 -6.596 2.593) 7.168 3.271 ( -1.471 -9.824 -5.450) 11.330 3.458 ( 7.261 -17.599 -1.585) 19.104 3.623 ( 7.030 -14.432 -0.643) 16.066 3.713 ( 4.210 -5.220 5.379) 8.597 4.265 ( 2.229 -5.339 -0.214) 5.790 4.650 ( -0.103 -1.309 -1.807) 2.233 4.815 ( -0.591 2.420 -0.459) 2.533 5.419 ( 0.602 3.642 -0.208) 3.697 6.084 ( -1.387 3.931 0.830) 4.251 6.120 ( -0.542 5.183 -0.657) 5.252 6.873 ( 0.802 4.893 -0.715) 5.010 6.898 ( -1.760 5.718 1.076) 6.078 7.043 ( 0.583 7.112 -0.966) 7.201 7.070 ( -1.730 4.085 -2.479) 5.082 7.189 ( -2.285 5.648 -2.252) 6.496 7.209 ( 0.457 2.703 2.514) 3.720 7.300 ( -0.190 3.130 0.445) 3.167 7.366 ( 1.180 5.125 0.414) 5.276 7.431 ( -0.102 1.959 -0.321) 1.987 7.545 ( -0.182 6.320 1.010) 6.403 7.606 ( 1.152 5.500 1.287) 5.765 7.687 ( -0.439 -0.320 -0.693) 0.880 7.893 ( -0.096 3.503 -0.468) 3.535 8.460 ( -0.503 0.633 -2.234) 2.376 8.603 ( 1.727 2.974 0.806) 3.532 ======================= Grid point 376 (170/231) ======================= q-point: ( 0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -8.195 -12.053 -4.229) 15.176 1.822 ( -5.065 -9.915 4.645) 12.064 2.005 ( -4.992 -7.190 4.255) 9.733 2.062 ( 0.575 -1.930 8.626) 8.858 2.194 ( -1.219 -6.169 3.707) 7.300 2.410 ( -1.077 -2.712 0.833) 3.035 2.600 ( -4.126 -4.189 -5.763) 8.232 2.711 ( 0.407 -3.626 -0.867) 3.751 2.874 ( -7.760 1.311 -1.336) 7.983 3.170 ( -2.530 1.050 -1.332) 3.046 3.247 ( 2.825 -3.677 2.420) 5.230 3.400 ( -4.366 -4.379 -4.522) 7.660 3.697 ( 3.169 -3.630 0.868) 4.896 3.860 ( 6.448 -5.162 -0.020) 8.260 3.891 ( 9.480 -4.739 -1.019) 10.647 4.461 ( 2.245 -11.732 0.558) 11.958 4.716 ( 1.205 -5.311 -1.019) 5.541 4.860 ( 0.448 -7.161 -0.008) 7.175 5.398 ( 1.177 -1.804 0.415) 2.194 6.045 ( -1.403 -1.245 0.378) 1.913 6.052 ( -1.013 -0.085 -1.050) 1.461 6.731 ( -1.485 6.943 -0.830) 7.149 6.778 ( 0.774 6.235 0.323) 6.291 6.892 ( -0.072 7.761 -0.976) 7.822 6.975 ( 0.385 5.349 -2.271) 5.824 7.062 ( -3.036 6.108 -1.548) 6.995 7.134 ( -1.718 5.145 2.409) 5.934 7.200 ( 0.979 5.190 -0.548) 5.310 7.307 ( 0.790 1.920 1.654) 2.654 7.401 ( 1.031 1.861 1.834) 2.809 7.453 ( -1.691 1.701 -0.044) 2.399 7.500 ( -0.760 4.927 -0.181) 4.989 7.681 ( -0.301 0.988 0.170) 1.047 7.838 ( -0.350 1.982 -0.470) 2.067 8.456 ( 0.213 -0.257 -1.817) 1.848 8.560 ( 1.523 2.261 0.264) 2.739 ======================= Grid point 377 (171/231) ======================= q-point: ( 0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -5.202 -8.440 -2.445) 10.211 1.996 ( -5.785 -10.405 2.239) 12.113 2.049 ( -2.496 -1.265 5.318) 6.009 2.193 ( 0.344 -7.222 7.265) 10.250 2.279 ( -0.291 -3.953 3.815) 5.502 2.452 ( 1.225 -0.810 3.195) 3.516 2.675 ( -4.840 -4.831 -5.222) 8.605 2.762 ( -1.551 -0.770 -1.193) 2.103 2.773 ( -7.616 1.294 -7.567) 10.814 3.072 ( 1.143 6.274 3.153) 7.114 3.264 ( -0.536 1.575 2.020) 2.617 3.432 ( -4.037 -1.708 -3.158) 5.402 3.676 ( 1.996 5.965 1.634) 6.499 3.890 ( 7.099 6.059 -2.087) 9.563 3.924 ( 6.262 3.834 -1.001) 7.411 4.691 ( -0.593 -9.964 -1.059) 10.038 4.856 ( 2.112 -6.757 0.707) 7.115 5.056 ( 0.287 -10.417 0.147) 10.422 5.500 ( 1.538 -6.509 -0.347) 6.698 6.109 ( 0.486 -5.777 -1.550) 6.001 6.133 ( -0.847 -6.342 0.845) 6.454 6.622 ( -0.876 3.098 -0.921) 3.348 6.671 ( 1.265 4.289 0.802) 4.543 6.750 ( -0.793 5.577 -1.752) 5.900 6.860 ( 1.749 5.979 -0.382) 6.241 6.909 ( -2.822 7.007 -0.917) 7.610 7.002 ( -2.827 6.299 0.853) 6.957 7.129 ( 1.385 2.939 0.239) 3.257 7.283 ( 0.214 0.966 0.879) 1.324 7.374 ( -0.376 0.735 0.578) 1.008 7.407 ( -1.864 3.327 -0.562) 3.855 7.450 ( -0.090 -1.034 0.283) 1.075 7.643 ( 0.060 2.728 1.026) 2.915 7.807 ( -0.296 0.958 -0.402) 1.081 8.463 ( 0.353 -0.321 -1.407) 1.485 8.526 ( 1.054 1.781 -0.273) 2.088 ======================= Grid point 378 (172/231) ======================= q-point: ( 0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.880 -3.413 0.420) 3.550 2.111 ( -3.425 -6.454 3.510) 8.106 2.170 ( -2.362 -7.600 1.207) 8.050 2.253 ( -1.954 -1.834 2.847) 3.910 2.414 ( 0.415 -0.861 0.930) 1.334 2.487 ( 4.614 -6.322 5.889) 9.795 2.576 ( -5.342 5.238 -5.708) 9.411 2.779 ( -2.871 -2.519 -2.371) 4.495 2.859 ( -2.599 -7.446 -3.025) 8.447 2.977 ( 3.643 4.593 5.967) 8.365 3.240 ( -1.000 -0.347 1.588) 1.908 3.445 ( -2.648 -2.228 -2.724) 4.404 3.540 ( 0.732 7.032 2.352) 7.451 3.757 ( 2.644 7.938 -3.237) 8.972 3.823 ( 3.794 7.977 -0.867) 8.876 4.836 ( -1.743 -4.941 -1.403) 5.424 4.963 ( 2.212 -1.827 1.299) 3.150 5.220 ( -0.197 -4.899 -0.318) 4.913 5.612 ( 0.991 -2.765 -1.433) 3.268 6.213 ( -0.475 -2.576 0.251) 2.631 6.229 ( 0.528 -2.286 -0.700) 2.448 6.578 ( -0.808 1.679 0.462) 1.919 6.629 ( 1.025 0.883 -0.698) 1.522 6.698 ( 0.432 -0.692 -0.861) 1.186 6.779 ( -0.216 2.582 -0.606) 2.661 6.793 ( -0.280 2.384 0.268) 2.416 6.883 ( -1.257 2.354 0.977) 2.842 7.094 ( 1.340 1.159 -0.256) 1.790 7.273 ( -0.069 0.107 -0.057) 0.140 7.346 ( -0.170 1.288 -0.642) 1.450 7.379 ( -1.945 -0.951 -0.272) 2.182 7.484 ( 0.136 -2.347 -0.000) 2.351 7.583 ( 0.384 3.080 1.537) 3.463 7.796 ( -0.046 0.075 -0.283) 0.297 8.468 ( 0.113 -0.147 -1.065) 1.081 8.498 ( 0.473 1.451 -0.569) 1.628 ======================= Grid point 379 (173/231) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 4.290 -0.993 3.601) 5.688 2.208 ( 0.760 2.042 2.022) 2.972 2.224 ( -4.571 -5.293 -0.484) 7.010 2.331 ( 0.692 -1.903 3.442) 3.994 2.338 ( -4.446 1.755 -6.226) 7.849 2.465 ( 0.901 2.372 -2.155) 3.329 2.738 ( 6.097 -9.063 6.072) 12.497 2.814 ( 1.526 2.066 -1.004) 2.758 2.848 ( -0.276 0.632 5.115) 5.161 3.058 ( 0.352 -8.397 -1.114) 8.478 3.278 ( 0.571 -3.108 1.232) 3.392 3.451 ( -0.359 1.750 3.935) 4.322 3.503 ( -0.935 -4.267 -1.532) 4.629 3.630 ( -4.960 3.859 -4.087) 7.496 3.687 ( 2.390 5.701 -1.079) 6.275 4.855 ( -0.498 2.919 0.646) 3.031 4.938 ( 0.843 5.004 -0.329) 5.085 5.223 ( -0.580 4.536 -1.070) 4.696 5.592 ( -0.031 4.611 -1.723) 4.922 6.180 ( -0.028 4.180 0.095) 4.181 6.234 ( -0.513 2.025 -0.551) 2.160 6.553 ( -0.595 -0.424 0.510) 0.891 6.642 ( -0.146 -1.671 -2.183) 2.753 6.684 ( 1.123 0.405 1.626) 2.017 6.747 ( -1.067 -0.281 -0.740) 1.329 6.866 ( 2.131 -7.627 1.481) 8.056 6.951 ( 0.435 -6.415 0.486) 6.448 7.101 ( 1.455 -1.154 -0.873) 2.052 7.272 ( -1.060 -0.239 -1.509) 1.859 7.353 ( 0.888 -1.864 0.363) 2.097 7.389 ( -1.686 -0.893 -1.200) 2.254 7.522 ( 2.001 0.949 1.022) 2.440 7.560 ( -1.330 -2.902 0.245) 3.201 7.802 ( 0.149 -0.624 -0.272) 0.697 8.469 ( 0.202 0.406 -0.710) 0.842 8.476 ( -0.259 0.332 -0.676) 0.796 ======================= Grid point 380 (174/231) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 2.951 8.161 7.025) 11.165 2.168 ( 1.894 1.503 -0.190) 2.425 2.234 ( -3.083 3.354 -3.641) 5.832 2.255 ( -2.174 0.464 -2.008) 2.996 2.375 ( 2.296 2.808 2.837) 4.605 2.442 ( 0.021 0.453 -1.535) 1.601 2.665 ( -1.369 7.513 1.448) 7.773 2.861 ( 0.724 -4.209 -2.623) 5.012 2.986 ( 4.101 -4.741 4.194) 7.542 3.221 ( 2.364 -5.936 1.548) 6.575 3.347 ( 3.932 -2.031 1.688) 4.736 3.444 ( -2.205 0.929 3.544) 4.276 3.508 ( -1.108 2.589 1.959) 3.431 3.596 ( -2.741 -1.474 -3.821) 4.928 3.653 ( -2.061 -2.247 -1.361) 3.339 4.695 ( 0.606 12.803 1.523) 12.907 4.809 ( -0.691 6.815 -2.056) 7.152 5.054 ( -0.699 10.711 -1.060) 10.786 5.466 ( -0.582 6.281 -1.745) 6.545 6.096 ( 0.522 3.475 -0.278) 3.525 6.157 ( -0.228 4.377 0.024) 4.383 6.605 ( -0.000 -4.765 0.301) 4.775 6.687 ( -0.255 -4.093 -0.869) 4.192 6.757 ( 0.914 -6.021 0.481) 6.109 6.811 ( -0.162 -6.044 -0.379) 6.058 7.021 ( 1.568 -5.929 2.675) 6.691 7.085 ( 0.092 -6.613 0.614) 6.642 7.146 ( 1.816 -2.411 -0.929) 3.158 7.271 ( -2.435 -0.893 -3.286) 4.186 7.396 ( -1.486 -0.834 -0.742) 1.858 7.412 ( 1.392 -2.727 0.013) 3.062 7.518 ( 0.944 -0.301 0.321) 1.041 7.630 ( -0.440 -3.472 0.391) 3.522 7.820 ( 0.155 -1.169 -0.345) 1.229 8.455 ( 0.388 0.612 -0.315) 0.790 8.484 ( -0.498 -1.064 -0.818) 1.431 ======================= Grid point 381 (175/231) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 1.610 13.126 6.496) 14.734 2.042 ( -0.620 11.199 -0.346) 11.221 2.136 ( -3.104 10.233 1.089) 10.749 2.207 ( -1.205 4.431 -5.428) 7.110 2.288 ( 1.101 0.473 1.584) 1.986 2.406 ( -2.084 3.837 0.622) 4.411 2.571 ( 0.191 1.662 -0.245) 1.691 2.927 ( 7.726 1.844 1.602) 8.103 2.997 ( -6.704 2.575 -1.565) 7.350 3.251 ( -3.883 4.955 3.826) 7.367 3.338 ( 2.758 7.916 1.333) 8.488 3.370 ( 3.904 3.259 -1.006) 5.184 3.465 ( 4.185 4.593 -0.816) 6.267 3.562 ( -2.908 4.245 1.055) 5.253 3.682 ( -0.280 0.236 2.474) 2.501 4.407 ( -0.381 14.173 -1.590) 14.266 4.690 ( 0.072 3.882 -1.257) 4.081 4.856 ( -0.328 6.722 -0.280) 6.736 5.383 ( -0.512 0.953 -1.647) 1.971 6.070 ( 0.302 -0.926 -0.300) 1.019 6.099 ( -0.180 0.791 0.096) 0.817 6.728 ( 0.217 -6.813 0.054) 6.817 6.805 ( -0.603 -7.490 -0.080) 7.515 6.897 ( 0.376 -6.963 0.128) 6.975 6.966 ( 1.328 -8.608 0.238) 8.713 7.118 ( -0.494 -3.874 0.855) 3.998 7.197 ( 2.658 -2.302 2.934) 4.580 7.222 ( -0.868 -5.950 -1.551) 6.209 7.285 ( -2.221 -2.140 -3.167) 4.420 7.410 ( -1.037 -1.415 -0.703) 1.890 7.470 ( 0.836 -2.750 -0.111) 2.877 7.542 ( -0.388 -1.804 -0.366) 1.882 7.680 ( 0.105 -1.441 0.490) 1.525 7.850 ( 0.062 -1.796 -0.431) 1.848 8.453 ( 0.690 -0.220 -0.055) 0.727 8.512 ( -0.408 -2.075 -1.004) 2.341 ======================= Grid point 382 (176/231) ======================= q-point: (-0.08 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 1.992 13.801 5.703) 15.066 1.730 ( -4.395 18.097 -0.488) 18.629 1.851 ( -1.553 15.113 4.688) 15.900 2.066 ( -2.046 7.984 -6.746) 10.651 2.253 ( -2.132 10.151 1.180) 10.439 2.334 ( 0.362 -2.272 0.805) 2.437 2.553 ( -0.260 1.500 -1.135) 1.899 2.773 ( 0.610 13.183 3.006) 13.535 2.846 ( 2.849 14.035 -0.055) 14.321 2.986 ( -3.472 16.715 4.261) 17.595 3.115 ( 4.045 16.514 -0.024) 17.003 3.239 ( -2.018 13.433 -0.331) 13.588 3.333 ( 3.026 14.005 -3.862) 14.839 3.454 ( 2.463 -0.776 -0.262) 2.595 3.613 ( -0.812 6.190 3.234) 7.031 4.218 ( 0.464 3.387 -0.899) 3.535 4.655 ( 0.228 0.086 -1.194) 1.219 4.830 ( -0.070 -3.678 0.264) 3.689 5.414 ( -0.101 -3.724 -1.689) 4.090 6.122 ( -0.545 -3.135 0.225) 3.190 6.131 ( -0.174 -4.425 -0.452) 4.451 6.851 ( 0.205 -4.859 -0.139) 4.865 6.937 ( -0.618 -4.442 1.005) 4.596 7.044 ( -0.039 -8.415 -0.028) 8.415 7.128 ( 0.874 -5.693 -0.789) 5.814 7.181 ( -1.293 -2.585 -0.231) 2.900 7.260 ( 0.966 -3.702 0.841) 3.917 7.310 ( -1.802 -3.204 -0.601) 3.725 7.336 ( 0.753 -3.522 -0.268) 3.612 7.453 ( -0.241 -3.358 -0.055) 3.367 7.547 ( 0.138 -4.934 0.353) 4.949 7.585 ( -0.976 -3.194 -1.127) 3.525 7.689 ( 0.295 0.501 0.300) 0.655 7.896 ( 0.061 -2.959 -0.499) 3.001 8.473 ( 0.671 -1.510 -0.105) 1.656 8.562 ( -0.070 -3.140 -1.052) 3.312 ======================= Grid point 386 (177/231) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 10.082 -0.000 0.074) 10.082 1.208 ( 12.145 -0.000 -4.755) 13.043 1.235 ( 11.123 -0.000 9.509) 14.633 1.467 ( 10.963 -0.000 3.090) 11.391 1.680 ( -3.212 0.000 -9.101) 9.651 2.022 ( 7.847 -0.000 1.982) 8.094 2.054 ( -2.932 0.000 0.353) 2.953 2.183 ( -0.995 0.000 1.376) 1.698 2.264 ( 1.545 -0.000 0.841) 1.759 2.329 ( 2.460 -0.000 -2.495) 3.504 2.472 ( 2.280 -0.000 0.125) 2.283 2.606 ( 6.237 -0.000 14.022) 15.346 2.712 ( -0.861 0.000 -3.291) 3.402 3.383 ( -3.052 0.000 -4.155) 5.156 3.653 ( 1.770 -0.000 6.002) 6.258 4.250 ( -2.425 0.000 -0.140) 2.429 4.689 ( -1.925 0.000 0.074) 1.926 5.052 ( -2.652 0.000 -1.602) 3.098 5.605 ( 0.340 -0.000 -3.380) 3.397 6.278 ( 0.938 -0.000 2.067) 2.270 6.334 ( 0.988 -0.000 1.493) 1.791 6.921 ( -0.514 0.000 -0.327) 0.609 6.980 ( 1.029 -0.000 0.833) 1.324 7.159 ( 0.390 -0.000 -0.888) 0.969 7.219 ( 1.847 -0.000 0.399) 1.890 7.358 ( 1.460 -0.000 -0.077) 1.462 7.397 ( -2.755 0.000 -4.663) 5.416 7.432 ( 2.607 -0.000 0.292) 2.623 7.472 ( -0.177 0.000 -0.002) 0.177 7.576 ( -1.265 0.000 0.149) 1.274 7.737 ( -0.205 0.000 -2.199) 2.209 7.809 ( 2.324 -0.000 0.311) 2.345 7.821 ( 2.892 -0.000 2.809) 4.031 8.131 ( 0.949 -0.000 -0.775) 1.225 8.552 ( -2.477 0.000 -2.336) 3.404 8.741 ( 1.505 -0.000 1.227) 1.941 ======================= Grid point 387 (178/231) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 4.802 -4.180 -2.552) 6.859 1.247 ( 10.653 -4.709 10.758) 15.855 1.537 ( 6.167 -3.697 -0.466) 7.205 1.572 ( 6.421 -17.885 -1.183) 19.040 1.757 ( 2.249 -5.870 1.275) 6.414 2.027 ( -5.409 -2.828 -4.418) 7.535 2.154 ( 0.284 -10.093 -2.511) 10.405 2.302 ( 1.123 -11.335 2.112) 11.585 2.415 ( 0.181 -7.704 -1.811) 7.916 2.531 ( 4.556 -16.908 0.802) 17.530 2.596 ( 3.760 -10.335 0.473) 11.008 2.707 ( 9.207 -6.844 13.763) 17.917 2.761 ( -0.754 -7.527 -4.161) 8.633 3.368 ( -4.624 -0.814 -4.739) 6.671 3.662 ( 3.586 0.717 7.624) 8.455 4.228 ( -1.874 0.725 -0.660) 2.115 4.669 ( -1.805 0.911 -0.168) 2.029 4.999 ( -2.773 3.528 -1.935) 4.887 5.577 ( 0.255 2.602 -2.761) 3.802 6.258 ( 1.055 2.784 2.098) 3.642 6.312 ( 0.953 2.873 1.176) 3.247 6.924 ( -0.294 -0.422 -0.329) 0.610 6.985 ( 0.666 0.110 0.879) 1.108 7.156 ( -0.002 0.552 -0.910) 1.064 7.229 ( 1.218 0.129 0.521) 1.331 7.322 ( -1.164 4.201 -3.571) 5.635 7.361 ( 1.059 0.840 0.104) 1.356 7.433 ( -0.347 3.802 0.109) 3.819 7.475 ( 1.602 -1.330 -0.332) 2.109 7.537 ( -1.215 2.808 -0.837) 3.172 7.704 ( -0.821 2.468 -2.076) 3.328 7.789 ( 1.891 3.445 0.552) 3.968 7.806 ( 3.429 2.925 2.616) 5.211 8.088 ( 0.713 4.340 -0.746) 4.461 8.519 ( -2.249 1.620 -2.496) 3.730 8.725 ( 1.518 2.284 1.380) 3.070 ======================= Grid point 388 (179/231) ======================= q-point: ( 0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -3.085 -9.461 -3.493) 10.546 1.449 ( 6.432 -8.428 12.557) 16.434 1.663 ( -3.551 -8.158 -3.798) 9.674 1.860 ( 4.753 -7.675 9.585) 13.167 1.920 ( -0.907 -7.526 0.033) 7.580 2.161 ( -6.694 -14.865 -8.245) 18.269 2.326 ( 0.975 -4.513 -0.291) 4.626 2.556 ( -0.922 -10.545 2.183) 10.808 2.635 ( 2.275 -13.117 -1.934) 13.452 2.742 ( 2.791 -7.537 2.449) 8.402 2.891 ( 1.243 -17.272 2.938) 17.564 3.029 ( -0.243 -16.574 -2.311) 16.736 3.110 ( 12.133 -20.636 0.090) 23.939 3.389 ( -3.808 -6.469 -3.712) 8.374 3.686 ( 4.495 -0.649 7.990) 9.191 4.217 ( -0.317 -0.795 -1.001) 1.317 4.642 ( -1.156 0.633 -1.134) 1.739 4.894 ( -2.040 5.052 -1.593) 5.676 5.506 ( 0.362 4.231 -1.438) 4.484 6.181 ( 0.252 5.216 1.636) 5.472 6.231 ( 0.275 5.459 0.129) 5.468 6.926 ( 0.399 0.542 -0.266) 0.724 6.970 ( -0.404 2.115 0.848) 2.314 7.122 ( -1.160 2.666 -1.546) 3.293 7.185 ( -0.315 5.593 -0.983) 5.687 7.251 ( 0.411 1.554 0.178) 1.617 7.309 ( -0.891 6.636 -1.239) 6.810 7.348 ( 0.978 2.160 0.990) 2.569 7.460 ( 0.140 2.873 0.616) 2.941 7.479 ( -0.115 3.054 -2.332) 3.844 7.661 ( -0.421 0.778 -1.020) 1.351 7.694 ( 1.345 6.484 1.597) 6.812 7.742 ( 2.191 5.220 1.064) 5.761 7.985 ( 0.273 5.486 -0.534) 5.518 8.474 ( -1.398 1.419 -2.483) 3.183 8.676 ( 1.492 3.274 1.241) 3.806 ======================= Grid point 389 (180/231) ======================= q-point: ( 0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -7.595 -12.540 -3.858) 15.160 1.639 ( 1.130 -7.734 8.571) 11.600 1.812 ( -5.475 -9.150 2.774) 11.018 2.004 ( -2.716 -4.136 2.455) 5.524 2.060 ( 3.804 -8.100 6.237) 10.908 2.338 ( -3.752 -3.857 -3.380) 6.355 2.451 ( -1.898 -8.784 -2.037) 9.214 2.664 ( 1.419 -2.287 1.068) 2.896 2.803 ( -4.366 -4.820 -1.288) 6.630 3.019 ( 1.128 -13.193 1.430) 13.318 3.182 ( 1.064 -7.576 1.315) 7.762 3.242 ( -2.400 -8.541 -5.314) 10.342 3.514 ( 4.218 -16.041 -3.076) 16.869 3.697 ( 6.887 -17.424 0.726) 18.750 3.760 ( 3.173 -5.174 4.612) 7.622 4.287 ( 1.864 -6.495 0.023) 6.757 4.646 ( -0.165 -1.916 -2.033) 2.799 4.809 ( -0.412 1.546 -0.527) 1.684 5.426 ( 0.710 3.362 -0.121) 3.439 6.073 ( -0.857 4.611 1.046) 4.805 6.113 ( -0.602 5.572 -0.891) 5.675 6.872 ( -0.943 6.858 -0.310) 6.929 6.889 ( -0.035 4.151 0.142) 4.154 7.048 ( 0.525 7.336 -0.701) 7.388 7.051 ( -1.161 3.349 -2.184) 4.163 7.167 ( -1.474 6.186 -1.850) 6.622 7.213 ( -0.429 3.063 1.708) 3.533 7.302 ( 0.454 3.456 0.608) 3.539 7.379 ( 0.996 4.810 0.523) 4.939 7.432 ( 0.340 1.051 0.070) 1.107 7.545 ( -0.120 7.382 0.909) 7.439 7.619 ( 1.001 6.678 1.023) 6.830 7.680 ( -0.657 -0.552 -0.676) 1.092 7.891 ( -0.128 3.681 -0.472) 3.714 8.452 ( -0.379 0.158 -2.179) 2.217 8.620 ( 1.366 2.993 0.793) 3.384 ======================= Grid point 390 (181/231) ======================= q-point: ( 0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -7.405 -12.720 -2.984) 15.018 1.791 ( -2.322 -7.668 4.211) 9.051 1.967 ( -3.563 -7.096 4.835) 9.296 2.072 ( -0.404 -4.965 5.529) 7.442 2.221 ( 4.116 -4.119 9.297) 10.970 2.388 ( -2.727 -4.259 -2.489) 5.637 2.553 ( -3.111 -3.822 -4.141) 6.437 2.713 ( -0.607 -2.121 -2.115) 3.056 2.794 ( -6.325 1.816 -2.638) 7.089 3.146 ( -1.831 0.314 -0.282) 1.879 3.281 ( 2.628 -2.330 1.884) 3.986 3.351 ( -3.717 -3.815 -3.711) 6.491 3.724 ( 1.711 -3.343 1.229) 3.951 3.915 ( 4.128 -6.226 -0.512) 7.488 3.971 ( 6.211 -4.483 -1.143) 7.744 4.483 ( 1.779 -10.715 0.701) 10.884 4.727 ( 1.065 -6.111 -1.174) 6.313 4.865 ( 0.475 -7.283 -0.172) 7.301 5.411 ( 1.210 -2.070 0.290) 2.415 6.031 ( -1.389 -1.729 0.685) 2.321 6.042 ( -0.432 0.050 -1.404) 1.470 6.715 ( -1.288 6.824 -0.437) 6.958 6.785 ( 0.629 5.878 -0.638) 5.946 6.888 ( -0.461 8.079 -0.875) 8.139 6.978 ( 0.643 4.468 -1.709) 4.827 7.035 ( -1.745 6.517 -0.863) 6.801 7.114 ( -2.182 6.052 0.956) 6.504 7.217 ( 2.016 4.735 0.772) 5.204 7.316 ( 0.484 2.234 1.234) 2.598 7.413 ( 0.456 3.236 1.083) 3.442 7.439 ( -0.776 0.774 0.733) 1.319 7.492 ( -0.600 5.519 -0.513) 5.575 7.678 ( -0.392 0.767 0.303) 0.913 7.834 ( -0.263 2.026 -0.483) 2.099 8.455 ( 0.193 -0.477 -1.768) 1.841 8.573 ( 1.064 2.379 0.200) 2.614 ======================= Grid point 391 (182/231) ======================= q-point: ( 0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -3.662 -10.401 -1.623) 11.145 1.954 ( -2.928 -10.344 2.131) 10.960 2.037 ( -1.020 -2.299 4.379) 5.050 2.222 ( 2.770 -4.073 9.566) 10.760 2.295 ( 1.754 -5.477 4.808) 7.496 2.463 ( 0.159 -2.323 2.392) 3.338 2.618 ( -4.323 -3.434 -5.607) 7.869 2.671 ( -8.798 1.374 -8.988) 12.652 2.754 ( -0.166 -0.974 -1.417) 1.727 3.096 ( 1.956 3.174 4.150) 5.579 3.265 ( 0.233 3.049 1.531) 3.420 3.388 ( -3.413 -1.838 -3.236) 5.049 3.694 ( 0.824 6.147 1.676) 6.425 3.947 ( 4.315 6.668 -1.756) 8.134 3.970 ( 2.915 4.078 -1.204) 5.155 4.685 ( -0.462 -8.759 -0.605) 8.792 4.877 ( 1.671 -7.139 -0.007) 7.332 5.059 ( 0.229 -10.187 0.110) 10.190 5.514 ( 1.297 -6.395 -0.595) 6.552 6.108 ( -0.407 -6.033 -0.885) 6.111 6.129 ( 0.079 -6.981 0.240) 6.986 6.613 ( -0.695 2.782 -0.280) 2.881 6.684 ( 1.070 3.933 -0.128) 4.078 6.737 ( -1.055 5.941 -1.475) 6.211 6.875 ( 1.170 5.715 -0.669) 5.871 6.887 ( -1.192 6.751 -0.136) 6.857 6.976 ( -2.172 6.260 0.464) 6.643 7.149 ( 2.091 3.275 0.874) 3.983 7.284 ( -0.166 1.146 0.270) 1.189 7.364 ( -1.524 0.787 0.596) 1.816 7.392 ( -0.595 3.485 -1.089) 3.699 7.454 ( 0.542 -0.856 0.593) 1.174 7.644 ( -0.026 2.425 1.122) 2.672 7.804 ( -0.157 0.885 -0.400) 0.984 8.464 ( 0.250 -0.317 -1.417) 1.473 8.535 ( 0.615 1.969 -0.288) 2.083 ======================= Grid point 392 (183/231) ======================= q-point: (-0.31 -0.77 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.520 -7.202 0.021) 7.221 2.087 ( -1.433 -3.597 4.826) 6.187 2.164 ( 0.287 -9.417 1.811) 9.593 2.246 ( -0.221 -0.520 3.494) 3.540 2.397 ( -3.314 3.131 -4.324) 6.283 2.511 ( -1.111 1.757 -2.593) 3.323 2.566 ( 4.221 -9.238 6.998) 12.334 2.744 ( -3.127 -3.882 -2.030) 5.382 2.827 ( -2.459 -8.514 -2.852) 9.310 3.029 ( 4.170 6.473 5.178) 9.279 3.236 ( -0.131 -1.135 2.381) 2.641 3.404 ( -3.866 -2.518 -4.635) 6.539 3.550 ( 0.365 6.923 2.573) 7.395 3.771 ( 0.925 10.171 -2.484) 10.511 3.853 ( 2.107 8.118 -1.231) 8.477 4.820 ( -0.974 -4.894 -0.628) 5.029 4.984 ( 1.405 -1.797 0.265) 2.297 5.218 ( -0.169 -4.629 -0.168) 4.635 5.619 ( 0.805 -2.365 -1.574) 2.953 6.209 ( -0.526 -2.755 0.575) 2.863 6.232 ( 0.442 -1.758 -0.955) 2.049 6.573 ( -0.374 1.867 1.318) 2.316 6.631 ( -0.119 1.475 -2.628) 3.016 6.705 ( 0.850 -2.813 0.526) 2.985 6.777 ( 0.206 2.752 -0.366) 2.784 6.787 ( -0.951 3.514 -0.259) 3.650 6.877 ( -0.325 0.834 0.923) 1.285 7.111 ( 1.889 1.385 0.170) 2.349 7.268 ( -0.751 0.322 -0.799) 1.143 7.343 ( -0.254 0.671 -0.205) 0.746 7.363 ( -0.801 -0.712 -0.351) 1.128 7.485 ( -0.040 -2.253 0.069) 2.255 7.589 ( 0.296 3.014 1.402) 3.338 7.795 ( 0.028 -0.017 -0.278) 0.280 8.467 ( 0.127 -0.067 -1.099) 1.108 8.500 ( 0.215 1.615 -0.537) 1.715 ======================= Grid point 393 (184/231) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 4.816 -1.073 5.491) 7.382 2.167 ( -5.939 -5.171 -0.218) 7.878 2.221 ( 0.642 1.981 2.516) 3.266 2.281 ( -3.099 3.142 -6.873) 8.168 2.346 ( 0.240 -5.187 3.468) 6.244 2.469 ( 0.202 1.493 -1.503) 2.128 2.778 ( 0.491 -3.052 0.157) 3.095 2.824 ( 0.702 -0.454 -1.249) 1.503 2.874 ( 2.959 -1.592 8.576) 9.211 3.047 ( -1.515 -9.946 -1.590) 10.186 3.304 ( 3.221 -4.056 4.940) 7.157 3.415 ( -5.995 -0.599 -2.348) 6.466 3.510 ( 1.554 -3.170 -0.159) 3.534 3.593 ( -1.070 6.584 -1.573) 6.853 3.709 ( 2.123 6.344 -2.267) 7.063 4.853 ( 0.039 1.807 1.105) 2.119 4.943 ( 0.281 6.163 -1.110) 6.268 5.216 ( -0.444 4.744 -0.558) 4.797 5.591 ( 0.238 5.026 -1.651) 5.295 6.182 ( 0.434 4.068 -0.251) 4.099 6.229 ( -0.363 2.043 -0.217) 2.086 6.551 ( -0.077 -0.542 0.740) 0.921 6.636 ( -0.360 -1.731 -1.960) 2.639 6.699 ( 1.304 0.851 1.196) 1.963 6.735 ( -0.891 -0.876 -0.886) 1.532 6.883 ( 0.570 -8.381 1.335) 8.506 6.950 ( -0.623 -6.192 0.205) 6.226 7.118 ( 1.699 -1.158 -0.244) 2.071 7.255 ( -1.505 0.382 -1.755) 2.343 7.361 ( 0.338 -2.067 0.066) 2.096 7.376 ( -0.353 -0.954 -0.580) 1.171 7.539 ( 0.417 1.959 0.808) 2.160 7.548 ( -0.519 -4.008 0.323) 4.054 7.802 ( 0.063 -0.653 -0.282) 0.715 8.470 ( 0.192 -0.218 -0.817) 0.867 8.473 ( 0.050 1.060 -0.581) 1.210 ======================= Grid point 394 (185/231) ======================= q-point: (-0.15 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.910 8.928 6.258) 10.940 2.177 ( -6.143 1.603 -3.546) 7.272 2.186 ( 0.611 0.782 0.973) 1.390 2.238 ( -0.339 1.297 -0.426) 1.406 2.387 ( -0.904 3.915 2.819) 4.908 2.430 ( -2.327 0.790 -1.105) 2.694 2.664 ( 1.003 7.073 1.552) 7.310 2.859 ( -0.187 -5.125 -2.746) 5.817 3.005 ( -1.303 -2.211 1.945) 3.220 3.209 ( -3.741 -5.381 2.378) 6.972 3.398 ( -6.071 -0.229 -1.768) 6.327 3.431 ( 8.892 -4.339 6.131) 11.640 3.522 ( 3.440 0.759 -1.336) 3.767 3.593 ( 3.020 0.020 -2.817) 4.130 3.643 ( 0.068 -1.316 -0.511) 1.414 4.705 ( 0.614 13.612 1.481) 13.706 4.801 ( -0.194 6.338 -2.157) 6.697 5.047 ( -0.396 10.651 -0.419) 10.666 5.461 ( 0.042 6.514 -1.334) 6.649 6.100 ( 0.368 3.511 -0.628) 3.586 6.155 ( -0.301 4.293 0.264) 4.312 6.607 ( 0.455 -4.858 0.214) 4.884 6.682 ( -0.613 -3.984 -0.588) 4.073 6.765 ( 0.318 -5.868 0.089) 5.878 6.811 ( 0.298 -6.565 -0.519) 6.592 7.036 ( 0.545 -5.472 2.828) 6.184 7.073 ( -2.048 -7.087 -1.279) 7.487 7.171 ( 2.146 -2.926 1.025) 3.771 7.237 ( -2.493 -0.060 -3.107) 3.984 7.383 ( -1.126 -0.833 0.217) 1.418 7.424 ( 0.986 -2.662 -0.750) 2.936 7.520 ( -0.582 -0.073 0.134) 0.601 7.628 ( 0.002 -3.648 0.555) 3.690 7.820 ( -0.038 -1.163 -0.353) 1.216 8.458 ( 0.315 0.462 -0.523) 0.765 8.481 ( 0.318 -0.937 -0.680) 1.200 ======================= Grid point 395 (186/231) ======================= q-point: (-0.08 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.941 12.878 4.590) 13.704 2.017 ( -4.198 11.921 0.030) 12.639 2.090 ( -5.610 9.992 3.325) 11.932 2.172 ( -4.476 3.064 -3.042) 6.219 2.300 ( 0.401 1.437 -0.351) 1.533 2.387 ( -1.682 3.629 2.991) 4.994 2.583 ( 2.195 2.353 -0.254) 3.228 2.910 ( -8.342 2.930 -3.907) 9.666 3.002 ( 4.812 -0.630 2.934) 5.671 3.185 ( -7.073 5.151 3.613) 9.467 3.330 ( -3.432 4.995 -2.239) 6.461 3.448 ( 8.773 8.995 -2.581) 12.827 3.544 ( 7.987 2.149 0.960) 8.326 3.549 ( 2.344 4.914 -0.063) 5.444 3.691 ( 1.484 0.197 2.794) 3.170 4.406 ( 0.652 14.307 -1.012) 14.358 4.691 ( 0.527 3.812 -1.168) 4.022 4.854 ( -0.146 6.613 0.001) 6.614 5.378 ( -0.027 1.025 -0.985) 1.421 6.070 ( -0.120 -0.871 -0.545) 1.034 6.093 ( -0.911 0.926 0.243) 1.322 6.732 ( 0.684 -6.702 -0.120) 6.738 6.796 ( -1.239 -7.493 0.341) 7.602 6.898 ( -0.134 -6.962 -0.215) 6.967 6.976 ( 0.657 -8.861 -0.861) 8.927 7.116 ( -0.178 -3.171 1.249) 3.413 7.200 ( -2.822 -5.302 -1.720) 6.248 7.227 ( 1.598 -1.920 2.601) 3.606 7.260 ( -1.198 -3.998 -2.165) 4.701 7.398 ( -1.069 -1.529 0.192) 1.875 7.476 ( 0.500 -2.546 -0.656) 2.677 7.534 ( -1.050 -1.694 0.029) 1.994 7.682 ( 0.117 -1.505 0.366) 1.553 7.849 ( -0.112 -1.812 -0.431) 1.866 8.458 ( 0.344 -0.330 -0.715) 0.859 8.512 ( 0.747 -1.957 -0.465) 2.145 ======================= Grid point 400 (187/231) ======================= q-point: ( 0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 14.415 -0.000 4.898) 15.224 1.317 ( 10.646 -0.000 -6.709) 12.584 1.343 ( 7.039 -0.000 7.029) 9.948 1.592 ( 11.378 -0.000 5.229) 12.522 1.642 ( -1.754 0.000 -5.248) 5.533 2.014 ( -4.674 0.000 -0.184) 4.677 2.056 ( -0.587 0.000 -1.655) 1.756 2.214 ( 5.727 -0.000 -1.313) 5.876 2.280 ( 1.156 -0.000 0.176) 1.169 2.354 ( 2.854 -0.000 -1.790) 3.369 2.493 ( 1.799 -0.000 -0.050) 1.800 2.641 ( -2.206 0.000 4.079) 4.637 2.750 ( 7.457 -0.000 7.932) 10.887 3.334 ( -4.779 0.000 -4.783) 6.761 3.695 ( 3.967 -0.000 8.685) 9.548 4.224 ( -2.355 0.000 -1.115) 2.606 4.668 ( -2.027 0.000 0.189) 2.036 5.018 ( -3.190 0.000 -2.336) 3.954 5.602 ( 0.072 -0.000 -3.110) 3.111 6.296 ( 1.790 -0.000 2.493) 3.069 6.349 ( 1.346 -0.000 1.677) 2.150 6.915 ( -0.508 0.000 -0.373) 0.630 6.991 ( 0.784 -0.000 0.837) 1.147 7.163 ( 0.579 -0.000 -0.768) 0.961 7.236 ( 1.350 -0.000 0.135) 1.357 7.362 ( -2.663 0.000 -4.618) 5.331 7.376 ( 1.953 -0.000 0.116) 1.956 7.457 ( 2.169 -0.000 0.148) 2.174 7.467 ( -0.462 0.000 -0.923) 1.032 7.567 ( -0.639 0.000 0.380) 0.743 7.726 ( -1.167 0.000 -2.216) 2.504 7.833 ( 2.644 -0.000 0.271) 2.658 7.859 ( 3.123 -0.000 2.851) 4.229 8.137 ( 0.566 -0.000 -1.000) 1.149 8.523 ( -2.375 0.000 -2.465) 3.423 8.758 ( 1.378 -0.000 1.544) 2.069 ======================= Grid point 401 (188/231) ======================= q-point: ( 0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 6.846 1.995 0.254) 7.135 1.368 ( 9.278 -4.821 8.721) 13.616 1.559 ( -0.681 0.159 -1.480) 1.637 1.621 ( 3.088 -15.447 -1.928) 15.870 1.818 ( 7.592 -8.728 5.736) 12.912 1.968 ( -4.519 1.917 -3.085) 5.798 2.161 ( 2.089 -12.191 -3.069) 12.744 2.305 ( -0.777 -11.164 0.062) 11.191 2.412 ( -0.305 -7.071 -2.045) 7.367 2.571 ( 2.653 -13.632 0.680) 13.905 2.641 ( 4.448 -12.686 0.576) 13.455 2.721 ( -3.024 -9.917 -1.968) 10.553 2.842 ( 9.912 -7.257 9.799) 15.714 3.308 ( -5.311 -0.460 -4.874) 7.224 3.719 ( 4.685 0.466 9.366) 10.483 4.207 ( -1.923 0.222 -1.636) 2.535 4.650 ( -1.629 0.740 -0.260) 1.808 4.966 ( -2.932 3.223 -2.313) 4.933 5.574 ( 0.085 2.451 -2.505) 3.506 6.275 ( 1.577 3.228 2.292) 4.261 6.325 ( 1.100 3.236 1.129) 3.599 6.920 ( -0.281 -0.656 -0.342) 0.791 6.993 ( 0.480 0.351 0.887) 1.068 7.156 ( 0.062 1.091 -0.797) 1.353 7.240 ( 0.779 0.551 0.213) 0.978 7.302 ( -1.619 3.445 -3.604) 5.242 7.375 ( 1.525 1.165 0.289) 1.940 7.430 ( -0.182 3.574 -0.306) 3.591 7.489 ( 1.067 -0.919 -0.137) 1.414 7.527 ( -0.530 3.016 -0.807) 3.167 7.689 ( -1.296 2.357 -1.940) 3.317 7.812 ( 2.257 3.684 0.892) 4.412 7.842 ( 2.731 3.179 1.998) 4.643 8.092 ( 0.301 4.375 -0.872) 4.471 8.494 ( -1.904 1.371 -2.424) 3.374 8.742 ( 1.240 2.264 1.494) 2.982 ======================= Grid point 402 (189/231) ======================= q-point: ( 0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -2.663 -5.569 -2.123) 6.527 1.539 ( 7.092 -5.529 12.261) 15.205 1.609 ( -5.600 -7.470 0.811) 9.371 1.888 ( -0.504 -8.744 -3.220) 9.331 1.929 ( 0.232 -3.888 2.651) 4.711 2.111 ( 0.254 -14.131 -2.534) 14.358 2.337 ( 0.783 -4.709 1.195) 4.921 2.539 ( -2.519 -9.990 -0.377) 10.310 2.666 ( 4.251 -13.149 -0.552) 13.830 2.770 ( 1.719 -7.727 2.438) 8.283 2.901 ( 0.012 -15.467 2.174) 15.619 3.017 ( -1.418 -17.211 -1.735) 17.356 3.225 ( 10.008 -16.006 -3.227) 19.151 3.342 ( -4.185 -12.211 -1.450) 12.989 3.742 ( 3.760 0.022 8.383) 9.188 4.210 ( -0.580 -1.937 -1.453) 2.490 4.629 ( -0.935 0.357 -1.422) 1.739 4.871 ( -1.731 4.288 -1.486) 4.857 5.507 ( 0.334 3.971 -1.351) 4.208 6.189 ( 0.726 5.936 1.729) 6.226 6.234 ( 0.242 6.038 -0.125) 6.044 6.929 ( 0.139 0.191 -0.271) 0.360 6.968 ( -0.245 2.837 0.749) 2.945 7.109 ( -0.926 3.183 -1.360) 3.583 7.180 ( -0.232 5.359 -1.163) 5.488 7.253 ( -0.058 1.201 0.193) 1.218 7.301 ( -0.371 7.191 -1.257) 7.309 7.361 ( 1.167 2.473 1.136) 2.961 7.459 ( -0.281 2.248 -0.007) 2.266 7.477 ( 0.128 3.441 -1.443) 3.734 7.655 ( -0.523 -0.090 -0.915) 1.058 7.708 ( 1.035 7.304 1.239) 7.480 7.765 ( 1.805 6.000 0.915) 6.332 7.986 ( 0.056 5.596 -0.538) 5.623 8.458 ( -1.050 0.978 -2.277) 2.691 8.691 ( 1.078 3.262 1.183) 3.634 ======================= Grid point 403 (190/231) ======================= q-point: ( 0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -6.560 -11.480 -2.442) 13.446 1.669 ( 1.849 -5.199 7.471) 9.288 1.781 ( -1.637 -9.802 6.995) 12.153 1.962 ( -4.061 -4.646 -1.600) 6.374 2.110 ( 2.418 -9.194 0.670) 9.530 2.316 ( 1.318 -4.296 1.094) 4.625 2.438 ( -0.936 -6.148 0.898) 6.284 2.658 ( -2.729 -3.622 -1.558) 4.795 2.771 ( -1.283 -1.348 -0.991) 2.109 3.037 ( 1.603 -10.894 3.253) 11.482 3.192 ( 0.497 -9.999 0.365) 10.018 3.207 ( -2.520 -6.735 -5.224) 8.888 3.538 ( 1.335 -16.080 -2.831) 16.382 3.760 ( 4.715 -18.488 0.130) 19.081 3.790 ( 1.369 -4.495 4.462) 6.480 4.303 ( 1.184 -7.527 0.100) 7.620 4.641 ( -0.133 -2.443 -2.130) 3.244 4.805 ( -0.163 0.808 -0.515) 0.972 5.433 ( 0.732 3.059 -0.309) 3.160 6.070 ( -0.139 5.284 1.147) 5.409 6.105 ( -0.480 5.878 -1.125) 6.004 6.860 ( -1.179 7.278 0.412) 7.384 6.891 ( 0.491 4.091 -1.037) 4.249 7.035 ( -1.145 4.382 -0.793) 4.598 7.054 ( 0.507 5.871 -1.083) 5.992 7.153 ( -0.758 6.545 -1.460) 6.748 7.208 ( -0.571 3.672 0.743) 3.790 7.310 ( 0.748 3.312 0.883) 3.509 7.388 ( 0.659 4.367 0.455) 4.440 7.438 ( 0.675 0.404 0.286) 0.837 7.545 ( -0.101 8.200 0.747) 8.234 7.628 ( 0.532 7.760 0.285) 7.783 7.672 ( -0.557 -0.879 -0.205) 1.060 7.890 ( -0.084 3.786 -0.456) 3.814 8.446 ( -0.261 -0.210 -1.954) 1.982 8.633 ( 0.832 3.028 0.657) 3.209 ======================= Grid point 404 (191/231) ======================= q-point: (-0.38 -0.69 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -4.481 -13.691 -0.998) 14.440 1.785 ( 0.110 -5.935 2.755) 6.544 1.952 ( -0.515 -6.251 4.758) 7.873 2.079 ( 0.145 -8.837 5.622) 10.474 2.289 ( 4.799 -4.856 7.787) 10.357 2.358 ( -0.743 -2.554 -1.883) 3.259 2.523 ( -1.969 -3.027 -1.881) 4.072 2.670 ( -5.808 0.631 -5.945) 8.335 2.758 ( -0.684 0.848 -0.765) 1.332 3.131 ( -0.998 0.084 0.532) 1.134 3.300 ( 0.103 -4.166 -0.910) 4.265 3.320 ( -0.584 -1.623 -0.673) 1.852 3.736 ( 0.195 -3.290 1.525) 3.632 3.942 ( 0.995 -6.838 -0.327) 6.918 4.014 ( 2.379 -4.179 -1.355) 4.996 4.498 ( 0.942 -9.969 0.604) 10.031 4.734 ( 0.649 -6.778 -1.421) 6.955 4.869 ( 0.422 -7.366 -0.340) 7.386 5.423 ( 1.019 -2.232 -0.143) 2.457 6.020 ( -0.839 -1.237 0.639) 1.625 6.038 ( 0.101 -0.552 -1.303) 1.419 6.704 ( -0.745 6.712 -0.108) 6.754 6.789 ( 0.466 5.636 -1.318) 5.807 6.881 ( -0.665 8.282 -0.415) 8.319 6.980 ( -0.107 4.066 -0.844) 4.154 7.023 ( -0.518 6.542 -0.506) 6.582 7.098 ( -0.891 6.573 0.269) 6.639 7.238 ( 1.657 4.215 0.750) 4.591 7.322 ( 0.320 2.669 0.832) 2.814 7.410 ( -0.763 4.599 0.817) 4.733 7.444 ( 1.119 -0.126 0.774) 1.367 7.486 ( -0.412 5.835 -0.835) 5.909 7.674 ( -0.397 0.575 0.542) 0.884 7.832 ( -0.084 2.051 -0.469) 2.106 8.454 ( 0.067 -0.631 -1.626) 1.745 8.582 ( 0.470 2.471 0.095) 2.517 ======================= Grid point 405 (192/231) ======================= q-point: (-0.31 -0.69 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -1.726 -11.267 -0.451) 11.408 1.943 ( 0.211 -10.139 1.621) 10.270 2.046 ( 1.612 -3.300 3.498) 5.072 2.276 ( 4.310 -2.371 10.427) 11.529 2.327 ( 3.064 -4.875 4.332) 7.205 2.464 ( -0.384 -3.826 1.726) 4.214 2.565 ( -6.313 4.310 -7.513) 10.718 2.581 ( -3.501 -6.309 -5.665) 9.173 2.753 ( 0.142 -0.420 -1.079) 1.166 3.120 ( 1.479 0.553 3.765) 4.083 3.274 ( 1.081 4.176 0.609) 4.356 3.353 ( -2.383 -1.279 -2.356) 3.586 3.698 ( -0.479 6.147 1.806) 6.424 3.970 ( 0.425 7.737 -1.753) 7.945 3.981 ( -0.127 3.071 -1.090) 3.261 4.680 ( -0.252 -8.122 -0.157) 8.127 4.889 ( 0.682 -7.377 -0.864) 7.459 5.062 ( 0.371 -10.015 0.053) 10.022 5.524 ( 0.805 -6.274 -1.056) 6.413 6.100 ( -0.955 -6.244 0.081) 6.317 6.134 ( 0.783 -7.132 -0.555) 7.196 6.607 ( -0.389 2.611 0.139) 2.643 6.693 ( 0.753 3.646 -0.956) 3.843 6.725 ( -0.890 6.199 -0.661) 6.297 6.875 ( -0.760 5.709 -0.171) 5.762 6.885 ( 0.291 6.493 -0.145) 6.501 6.964 ( -0.028 6.193 0.289) 6.200 7.171 ( 1.767 3.347 0.339) 3.800 7.280 ( -0.483 1.459 -0.094) 1.540 7.353 ( -0.704 1.146 1.120) 1.750 7.389 ( 0.294 3.184 -1.200) 3.415 7.460 ( 0.521 -0.573 0.185) 0.796 7.645 ( -0.118 2.186 1.148) 2.472 7.803 ( 0.034 0.840 -0.383) 0.924 8.464 ( 0.084 -0.349 -1.354) 1.401 8.538 ( 0.092 2.063 -0.318) 2.090 ======================= Grid point 406 (193/231) ======================= q-point: (-0.23 -0.69 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -0.793 -9.102 0.040) 9.136 2.102 ( 2.256 -2.016 5.112) 5.940 2.174 ( 1.198 -9.791 1.532) 9.982 2.260 ( 1.377 2.005 3.957) 4.645 2.349 ( -2.989 4.138 -5.379) 7.416 2.502 ( -0.374 1.397 -0.544) 1.545 2.623 ( 3.284 -11.929 4.611) 13.204 2.715 ( -0.957 -5.463 -0.963) 5.630 2.801 ( -2.043 -6.922 -1.267) 7.328 3.070 ( 2.296 7.078 2.428) 7.828 3.247 ( 1.442 -2.262 3.568) 4.464 3.357 ( -3.524 -1.256 -3.852) 5.370 3.555 ( -0.171 6.116 2.208) 6.504 3.766 ( -1.346 10.587 -1.898) 10.840 3.862 ( 0.151 7.504 -1.989) 7.764 4.815 ( 0.033 -4.959 0.067) 4.959 4.991 ( 0.003 -1.777 -0.744) 1.926 5.218 ( 0.211 -4.362 0.038) 4.368 5.623 ( 0.388 -2.203 -1.872) 2.917 6.204 ( -0.541 -3.304 0.711) 3.423 6.236 ( 0.534 -1.263 -0.987) 1.690 6.575 ( 0.214 1.760 1.938) 2.627 6.622 ( -0.556 1.692 -2.965) 3.458 6.710 ( -0.326 -3.795 0.422) 3.833 6.776 ( -0.804 3.073 -0.253) 3.186 6.783 ( 0.894 3.671 -0.046) 3.778 6.878 ( 0.254 0.899 0.751) 1.199 7.128 ( 1.039 1.521 -0.745) 1.987 7.258 ( -0.644 0.550 -0.428) 0.949 7.341 ( -0.007 -0.009 0.037) 0.039 7.363 ( 0.741 -0.147 -0.236) 0.792 7.483 ( -0.275 -1.960 0.193) 1.989 7.593 ( 0.037 2.895 1.051) 3.080 7.795 ( 0.090 -0.029 -0.290) 0.305 8.467 ( 0.141 -0.100 -1.075) 1.089 8.500 ( -0.063 1.619 -0.534) 1.705 ======================= Grid point 407 (194/231) ======================= q-point: (-0.15 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -6.105 -3.099 -0.850) 6.899 2.141 ( 2.085 0.597 6.339) 6.700 2.230 ( 1.413 -0.218 0.358) 1.474 2.265 ( 1.158 2.906 -1.682) 3.552 2.346 ( -1.214 -4.881 3.064) 5.890 2.462 ( -1.147 2.118 -1.563) 2.871 2.770 ( -1.202 -1.802 -0.110) 2.169 2.811 ( -2.748 -0.251 -1.645) 3.213 2.919 ( 3.014 -1.924 5.126) 6.250 3.031 ( -1.176 -9.215 -1.003) 9.343 3.336 ( -4.349 -2.432 -1.077) 5.098 3.358 ( 1.599 -3.599 5.275) 6.583 3.522 ( 1.027 -1.894 -1.344) 2.539 3.602 ( 2.697 3.870 0.009) 4.718 3.723 ( 1.519 5.925 -3.870) 7.238 4.860 ( 0.928 1.120 1.320) 1.964 4.938 ( -0.895 6.719 -1.665) 6.980 5.213 ( 0.022 4.957 -0.030) 4.957 5.592 ( 0.403 5.058 -1.691) 5.349 6.188 ( 0.878 4.143 -0.557) 4.272 6.226 ( -0.175 1.950 0.115) 1.961 6.554 ( 0.598 -0.501 0.912) 1.200 6.628 ( -0.662 -1.894 -1.543) 2.531 6.713 ( 0.862 1.399 -0.297) 1.670 6.728 ( 0.033 -1.393 0.202) 1.408 6.879 ( -1.501 -8.689 0.543) 8.835 6.941 ( -1.010 -5.662 0.673) 5.790 7.126 ( -0.221 -1.266 -1.702) 2.133 7.244 ( 0.064 0.742 -0.086) 0.749 7.360 ( -0.327 -1.337 -0.174) 1.387 7.380 ( 0.780 -1.374 -0.222) 1.595 7.528 ( -1.620 -0.255 0.421) 1.693 7.556 ( 0.887 -1.720 0.645) 2.040 7.802 ( -0.038 -0.613 -0.303) 0.685 8.470 ( 0.074 0.124 -0.803) 0.816 8.475 ( 0.464 0.547 -0.633) 0.957 ======================= Grid point 408 (195/231) ======================= q-point: (-0.08 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -0.668 8.548 4.242) 9.566 2.100 ( -7.156 -0.342 -1.575) 7.336 2.185 ( -1.251 3.832 1.373) 4.259 2.231 ( -2.320 5.385 1.266) 5.999 2.374 ( -1.975 4.079 0.594) 4.571 2.395 ( -3.369 -1.181 1.957) 4.071 2.690 ( 3.114 6.198 1.326) 7.062 2.848 ( -1.313 -4.352 -2.385) 5.133 2.972 ( -4.900 -1.400 0.701) 5.144 3.165 ( -5.208 -3.970 1.568) 6.734 3.335 ( -4.893 -1.559 -2.942) 5.919 3.509 ( 2.792 -6.101 7.892) 10.359 3.567 ( 5.446 -0.956 -4.052) 6.855 3.645 ( 7.836 2.104 -4.669) 9.361 3.661 ( 4.407 -3.115 1.319) 5.556 4.710 ( 0.122 14.004 0.370) 14.009 4.801 ( 0.684 5.668 -1.080) 5.810 5.045 ( 0.072 10.653 0.097) 10.654 5.463 ( 0.660 6.659 -0.937) 6.757 6.102 ( 0.262 3.859 -0.913) 3.974 6.152 ( -0.395 4.553 0.438) 4.591 6.615 ( 0.995 -4.890 0.023) 4.991 6.673 ( -1.026 -3.789 -0.203) 3.931 6.765 ( -0.124 -5.543 -0.563) 5.573 6.816 ( 0.865 -6.849 -0.305) 6.910 7.040 ( -2.427 -8.061 0.874) 8.463 7.044 ( -1.276 -4.629 0.449) 4.823 7.168 ( -2.404 -3.382 -3.385) 5.355 7.234 ( 1.917 0.452 1.920) 2.751 7.374 ( -0.755 -0.657 0.894) 1.342 7.429 ( 0.367 -2.678 -1.129) 2.929 7.507 ( -1.799 0.020 -0.127) 1.803 7.631 ( 0.327 -3.548 0.747) 3.641 7.819 ( -0.208 -1.137 -0.362) 1.212 8.459 ( 0.188 0.348 -0.910) 0.992 8.488 ( 1.079 -0.983 -0.417) 1.518 ======================= Grid point 414 (196/231) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 14.840 -0.000 7.921) 16.821 1.395 ( 1.323 -0.000 2.770) 3.070 1.405 ( 7.765 -0.000 -5.463) 9.494 1.632 ( 0.504 -0.000 2.005) 2.067 1.708 ( 9.122 -0.000 4.247) 10.062 1.961 ( -5.198 0.000 -0.281) 5.206 2.033 ( -2.475 0.000 -3.701) 4.452 2.257 ( 2.455 -0.000 -4.716) 5.316 2.287 ( 0.391 -0.000 -0.443) 0.591 2.380 ( 2.379 -0.000 -1.034) 2.594 2.508 ( 0.979 -0.000 -0.164) 0.993 2.619 ( -1.751 0.000 1.135) 2.086 2.844 ( 6.831 -0.000 10.424) 12.463 3.278 ( -4.070 0.000 -4.965) 6.420 3.758 ( 4.988 -0.000 10.433) 11.564 4.197 ( -2.399 0.000 -2.307) 3.328 4.650 ( -1.391 0.000 0.064) 1.393 4.981 ( -3.099 0.000 -2.552) 4.015 5.597 ( -0.064 0.000 -2.763) 2.764 6.320 ( 1.946 -0.000 2.348) 3.050 6.366 ( 1.475 -0.000 1.563) 2.149 6.910 ( -0.437 0.000 -0.352) 0.561 6.998 ( 0.477 -0.000 0.797) 0.929 7.167 ( 0.455 -0.000 -0.597) 0.750 7.247 ( 0.831 -0.000 -0.086) 0.835 7.328 ( -2.448 0.000 -4.116) 4.789 7.396 ( 1.656 -0.000 0.249) 1.674 7.461 ( -0.415 0.000 -1.183) 1.253 7.476 ( 1.376 -0.000 0.078) 1.378 7.564 ( -0.149 0.000 0.247) 0.289 7.708 ( -1.483 0.000 -1.999) 2.489 7.862 ( 2.689 -0.000 0.793) 2.803 7.890 ( 2.139 -0.000 1.917) 2.872 8.139 ( 0.043 -0.000 -1.089) 1.090 8.498 ( -1.743 0.000 -2.242) 2.840 8.773 ( 1.020 -0.000 1.541) 1.849 ======================= Grid point 415 (197/231) ======================= q-point: ( 0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 5.981 7.726 2.805) 10.165 1.437 ( 0.306 -5.323 0.939) 5.414 1.557 ( 1.812 1.487 9.233) 9.526 1.631 ( 0.224 -13.213 -3.502) 13.671 1.884 ( 0.715 -6.981 -2.378) 7.409 1.953 ( 4.567 1.554 4.457) 6.568 2.180 ( 1.750 -11.606 -3.914) 12.372 2.292 ( -1.034 -14.920 0.143) 14.956 2.401 ( -1.323 -6.895 -2.062) 7.317 2.589 ( 0.773 -11.316 0.159) 11.343 2.667 ( -1.307 -14.942 -1.243) 15.051 2.699 ( 1.114 -8.330 -0.230) 8.407 2.943 ( 6.050 -8.835 8.665) 13.775 3.254 ( -2.732 0.099 -5.551) 6.188 3.783 ( 4.486 0.792 10.254) 11.220 4.183 ( -2.085 -0.246 -2.593) 3.336 4.636 ( -0.774 0.697 -0.546) 1.176 4.934 ( -2.406 2.832 -2.093) 4.265 5.571 ( 0.041 2.284 -2.239) 3.199 6.295 ( 1.519 3.571 1.975) 4.355 6.338 ( 1.088 3.668 0.804) 3.909 6.917 ( -0.235 -0.829 -0.290) 0.910 6.998 ( 0.271 0.488 0.854) 1.020 7.155 ( -0.066 1.549 -0.669) 1.689 7.246 ( 0.401 0.999 -0.086) 1.080 7.280 ( -1.581 2.483 -2.858) 4.103 7.390 ( 1.022 1.611 0.171) 1.916 7.429 ( 0.079 3.017 -0.431) 3.049 7.496 ( 0.305 -0.295 0.088) 0.433 7.523 ( -0.089 3.105 -0.920) 3.240 7.673 ( -1.218 2.102 -1.465) 2.837 7.835 ( 1.737 4.139 1.135) 4.631 7.868 ( 1.802 3.213 1.044) 3.829 8.092 ( -0.121 4.325 -0.838) 4.407 8.474 ( -1.210 1.203 -2.096) 2.703 8.755 ( 0.806 2.262 1.360) 2.760 ======================= Grid point 416 (198/231) ======================= q-point: (-0.46 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -2.858 -2.083 -0.428) 3.562 1.559 ( -4.806 -7.881 6.903) 11.526 1.633 ( 7.298 -4.572 10.659) 13.703 1.869 ( -2.128 -3.532 -5.094) 6.554 1.901 ( -3.168 -10.294 -6.188) 12.422 2.153 ( 5.384 -10.736 2.092) 12.191 2.347 ( 0.707 -5.849 3.672) 6.942 2.506 ( -3.304 -8.280 -2.979) 9.399 2.716 ( 4.910 -10.587 0.423) 11.677 2.784 ( 0.178 -12.167 1.849) 12.308 2.898 ( -1.148 -12.639 2.155) 12.872 2.996 ( -2.297 -18.291 -0.463) 18.440 3.266 ( -2.691 -5.555 -6.252) 8.785 3.337 ( 5.111 -22.889 0.626) 23.461 3.786 ( 2.232 1.154 8.034) 8.418 4.200 ( -0.803 -3.004 -1.632) 3.512 4.620 ( -0.273 0.300 -1.660) 1.709 4.855 ( -1.011 3.590 -1.025) 3.868 5.509 ( 0.345 3.707 -1.377) 3.969 6.200 ( 0.924 6.407 1.518) 6.649 6.236 ( 0.213 6.581 -0.528) 6.605 6.928 ( -0.150 0.180 -0.147) 0.276 6.968 ( 0.028 3.116 0.587) 3.171 7.099 ( -0.653 3.504 -1.051) 3.716 7.175 ( -0.418 5.052 -0.909) 5.150 7.252 ( 0.021 1.005 0.096) 1.009 7.296 ( -0.089 7.511 -1.210) 7.608 7.373 ( 0.840 2.716 0.961) 3.001 7.457 ( -0.109 1.830 -0.224) 1.847 7.475 ( -0.178 3.376 -0.844) 3.485 7.648 ( -0.622 -0.504 -0.572) 0.984 7.718 ( 0.497 7.930 0.969) 8.004 7.781 ( 1.172 6.378 0.401) 6.497 7.985 ( -0.085 5.568 -0.456) 5.587 8.446 ( -0.575 0.702 -1.899) 2.104 8.702 ( 0.558 3.280 0.958) 3.462 ======================= Grid point 417 (199/231) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -3.219 -11.230 0.132) 11.683 1.694 ( 0.988 -5.273 6.412) 8.360 1.804 ( 3.267 -8.752 9.382) 13.240 1.920 ( -3.419 -5.658 -2.765) 7.165 2.109 ( -0.445 -10.314 -6.522) 12.211 2.358 ( 3.575 -5.474 2.969) 7.180 2.440 ( 1.523 -3.395 5.279) 6.459 2.615 ( -3.748 -3.983 -3.943) 6.743 2.766 ( -0.000 0.265 -0.314) 0.411 3.059 ( 1.430 -8.513 4.211) 9.605 3.170 ( -2.872 -9.603 -4.122) 10.838 3.199 ( 0.509 -8.627 -0.838) 8.683 3.535 ( -1.162 -16.951 -1.834) 17.090 3.785 ( 0.035 -16.632 -0.209) 16.633 3.806 ( 0.662 -5.176 3.729) 6.414 4.311 ( 0.325 -8.264 -0.054) 8.271 4.637 ( 0.030 -2.689 -2.036) 3.373 4.804 ( 0.067 0.379 -0.480) 0.615 5.440 ( 0.662 2.813 -0.703) 2.974 6.074 ( 0.544 5.777 1.086) 5.904 6.100 ( -0.162 6.004 -1.301) 6.145 6.851 ( -0.658 7.228 0.731) 7.295 6.895 ( 0.674 4.342 -1.506) 4.646 7.024 ( -0.902 4.253 -0.007) 4.348 7.054 ( -0.357 5.874 -0.694) 5.926 7.146 ( -0.207 6.659 -1.087) 6.750 7.208 ( 0.437 3.958 0.130) 3.984 7.317 ( 0.323 3.160 0.713) 3.255 7.393 ( 0.224 3.914 0.250) 3.928 7.446 ( 0.793 -0.014 0.092) 0.798 7.545 ( -0.121 8.618 0.623) 8.641 7.630 ( -0.046 7.605 -0.301) 7.611 7.669 ( -0.153 -0.324 0.329) 0.487 7.889 ( 0.027 3.808 -0.421) 3.831 8.441 ( -0.175 -0.403 -1.631) 1.689 8.639 ( 0.227 3.085 0.434) 3.124 ======================= Grid point 418 (200/231) ======================= q-point: (-0.31 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.614 -14.066 1.287) 14.138 1.801 ( 2.266 -5.265 1.156) 5.847 1.971 ( 2.803 -5.405 3.571) 7.059 2.094 ( 1.038 -11.725 6.463) 13.428 2.301 ( -0.786 -9.635 -4.063) 10.486 2.401 ( 4.731 2.353 5.941) 7.951 2.507 ( -0.524 -2.085 1.310) 2.518 2.608 ( -3.157 2.386 -5.542) 6.810 2.756 ( 0.083 0.342 -0.547) 0.651 3.127 ( -0.049 -0.205 1.242) 1.260 3.288 ( -0.858 -4.928 -1.286) 5.164 3.328 ( 0.808 -1.137 -0.187) 1.407 3.733 ( -1.366 -3.379 1.807) 4.068 3.935 ( -2.276 -6.921 0.218) 7.289 4.016 ( -1.601 -4.060 -1.561) 4.635 4.504 ( -0.071 -9.616 0.271) 9.620 4.735 ( 0.047 -7.074 -1.632) 7.260 4.872 ( 0.294 -7.486 -0.532) 7.511 5.431 ( 0.636 -2.249 -0.780) 2.464 6.017 ( -0.075 -0.532 0.632) 0.830 6.040 ( 0.671 -1.102 -1.151) 1.729 6.700 ( -0.110 6.684 0.240) 6.690 6.792 ( 0.595 5.589 -1.653) 5.859 6.874 ( -0.633 8.365 0.216) 8.391 6.970 ( -1.565 4.083 -0.008) 4.373 7.022 ( 0.424 6.305 -0.403) 6.332 7.100 ( 1.233 6.770 0.009) 6.881 7.250 ( 0.343 3.672 -0.094) 3.689 7.326 ( 0.309 3.007 0.436) 3.054 7.407 ( 0.006 4.630 1.189) 4.781 7.456 ( 0.970 -0.261 -0.141) 1.015 7.483 ( 0.231 6.195 -0.826) 6.254 7.671 ( -0.348 0.441 0.791) 0.970 7.831 ( 0.145 2.057 -0.434) 2.107 8.451 ( -0.111 -0.710 -1.412) 1.584 8.583 ( -0.164 2.538 -0.045) 2.544 ======================= Grid point 419 (201/231) ======================= q-point: (-0.23 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.400 -11.308 1.076) 11.366 1.962 ( 3.045 -9.470 1.210) 10.020 2.080 ( 4.206 -3.738 2.056) 5.991 2.320 ( 0.855 -2.968 4.415) 5.389 2.369 ( 3.081 -1.647 2.147) 4.100 2.469 ( 1.216 -5.221 3.123) 6.204 2.500 ( -2.318 1.269 -2.687) 3.768 2.563 ( 0.515 -3.644 -2.158) 4.266 2.753 ( 0.268 -0.090 -1.019) 1.057 3.137 ( 0.809 -0.463 2.468) 2.638 3.287 ( 1.288 4.155 -0.465) 4.375 3.335 ( -0.652 -0.506 -0.420) 0.926 3.689 ( -1.777 5.917 2.025) 6.501 3.945 ( -4.478 6.478 -1.354) 7.991 3.970 ( -1.994 3.746 -1.452) 4.485 4.679 ( -0.028 -8.159 0.200) 8.161 4.888 ( -0.536 -7.411 -1.482) 7.577 5.067 ( 0.542 -10.028 -0.198) 10.045 5.527 ( 0.147 -6.139 -1.607) 6.347 6.091 ( -0.839 -6.131 0.511) 6.209 6.142 ( 0.921 -6.999 -0.770) 7.101 6.605 ( -0.135 2.653 0.375) 2.682 6.698 ( 0.587 3.451 -1.426) 3.780 6.717 ( -0.500 6.436 0.250) 6.460 6.862 ( -1.804 5.305 0.325) 5.613 6.890 ( 0.953 6.663 -0.241) 6.736 6.975 ( 1.906 6.240 0.298) 6.532 7.181 ( 0.177 3.206 -1.346) 3.482 7.279 ( 0.294 1.798 0.462) 1.880 7.354 ( 0.332 1.372 1.363) 1.962 7.395 ( 1.190 2.870 -1.008) 3.266 7.464 ( 0.249 -0.268 -0.391) 0.536 7.645 ( -0.221 2.071 1.061) 2.338 7.804 ( 0.235 0.845 -0.360) 0.948 8.462 ( -0.086 -0.432 -1.221) 1.298 8.536 ( -0.424 2.058 -0.367) 2.133 ======================= Grid point 420 (202/231) ======================= q-point: (-0.15 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -0.717 -7.488 0.374) 7.532 2.134 ( 2.067 -3.626 3.587) 5.503 2.200 ( 3.601 -6.654 0.518) 7.583 2.263 ( -1.244 2.190 -0.041) 2.519 2.353 ( 4.085 4.441 3.114) 6.791 2.496 ( -0.882 1.254 -0.256) 1.554 2.618 ( -3.251 -9.954 -3.207) 10.951 2.744 ( 4.452 -4.880 2.214) 6.967 2.785 ( -0.388 -8.162 2.387) 8.513 3.079 ( -0.925 6.856 -1.415) 7.061 3.272 ( 1.853 -2.121 2.057) 3.488 3.331 ( -0.561 -0.112 1.266) 1.389 3.554 ( -0.635 5.041 1.803) 5.391 3.739 ( -3.166 9.172 -1.529) 9.823 3.850 ( -1.784 6.476 -2.918) 7.324 4.821 ( 0.928 -5.179 0.592) 5.295 4.982 ( -1.337 -1.705 -1.312) 2.532 5.222 ( 0.580 -4.187 -0.022) 4.227 5.621 ( -0.111 -2.287 -2.176) 3.158 6.199 ( -0.639 -3.895 0.787) 4.025 6.240 ( 0.606 -1.114 -0.990) 1.609 6.582 ( 0.335 0.729 1.980) 2.136 6.613 ( -0.137 2.638 -2.108) 3.380 6.700 ( -1.446 -2.913 -0.268) 3.263 6.771 ( -0.277 2.071 0.065) 2.091 6.794 ( 1.051 3.351 0.084) 3.513 6.885 ( 0.915 2.298 0.673) 2.563 7.127 ( -0.600 1.691 -2.422) 3.015 7.258 ( 0.483 0.646 0.777) 1.119 7.341 ( -0.049 0.004 -0.162) 0.170 7.378 ( 2.138 0.155 0.009) 2.144 7.480 ( -0.509 -1.733 0.376) 1.845 7.593 ( -0.287 2.837 0.638) 2.922 7.796 ( 0.136 0.047 -0.307) 0.339 8.467 ( 0.149 -0.243 -0.998) 1.038 8.498 ( -0.308 1.463 -0.561) 1.597 ======================= Grid point 421 (203/231) ======================= q-point: (-0.08 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -5.127 -1.485 -1.374) 5.512 2.150 ( -1.202 2.966 4.573) 5.581 2.255 ( 2.047 -0.398 -0.461) 2.136 2.292 ( 3.405 2.170 4.377) 5.955 2.334 ( -1.585 -2.388 2.893) 4.073 2.438 ( -3.019 3.686 -1.503) 4.996 2.755 ( -2.667 -4.878 -1.670) 5.805 2.779 ( -1.336 -0.703 0.209) 1.524 2.944 ( 0.820 2.660 -0.053) 2.785 3.008 ( -3.481 -7.711 -0.368) 8.468 3.282 ( -3.484 -0.457 -1.504) 3.822 3.401 ( 2.827 -5.611 8.516) 10.583 3.529 ( 0.936 -1.885 -1.935) 2.859 3.641 ( 4.566 -0.457 0.273) 4.597 3.731 ( 1.601 4.078 -5.219) 6.814 4.875 ( 1.460 0.738 0.662) 1.765 4.922 ( -1.609 6.833 -1.074) 7.102 5.216 ( 0.361 5.116 0.145) 5.130 5.594 ( 0.549 4.706 -1.707) 5.036 6.198 ( 1.205 4.312 -0.860) 4.560 6.225 ( -0.157 1.764 0.443) 1.826 6.566 ( 1.337 -0.268 0.853) 1.608 6.618 ( -0.975 -2.011 -0.835) 2.386 6.712 ( -0.260 -0.427 -1.836) 1.903 6.740 ( 1.628 0.410 1.361) 2.161 6.856 ( -2.888 -7.958 -0.291) 8.471 6.931 ( -1.316 -5.512 1.216) 5.796 7.111 ( -1.497 -0.878 -2.915) 3.392 7.253 ( 1.064 0.369 1.233) 1.670 7.356 ( -0.249 -1.277 -0.479) 1.386 7.389 ( 0.939 -0.632 0.304) 1.172 7.511 ( -1.720 0.233 0.075) 1.737 7.565 ( 0.579 -2.026 0.865) 2.278 7.801 ( -0.117 -0.515 -0.319) 0.617 8.469 ( 0.088 0.436 -0.809) 0.923 8.480 ( 0.661 -0.170 -0.683) 0.965 ======================= Grid point 428 (204/231) ======================= q-point: (-0.54 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -4.484 0.000 3.041) 5.418 1.426 ( 10.572 -0.000 6.593) 12.460 1.450 ( 1.686 -0.000 -3.178) 3.597 1.656 ( 2.830 -0.000 6.687) 7.261 1.787 ( 5.155 -0.000 1.836) 5.472 1.917 ( -2.684 0.000 0.130) 2.688 1.996 ( -3.431 0.000 -4.678) 5.801 2.247 ( -2.017 0.000 -6.298) 6.613 2.287 ( -0.351 0.000 -0.533) 0.638 2.396 ( 0.939 -0.000 -0.627) 1.129 2.513 ( 0.187 -0.000 -0.157) 0.244 2.613 ( -0.217 0.000 1.298) 1.316 2.910 ( 2.507 -0.000 9.263) 9.596 3.248 ( 0.409 -0.000 -5.820) 5.834 3.824 ( 4.278 -0.000 10.921) 11.729 4.167 ( -2.482 0.000 -3.264) 4.101 4.642 ( -0.043 0.000 -0.302) 0.305 4.949 ( -2.205 0.000 -2.036) 3.001 5.592 ( -0.045 0.000 -2.392) 2.393 6.341 ( 1.356 -0.000 1.627) 2.118 6.384 ( 1.450 -0.000 1.094) 1.817 6.906 ( -0.262 0.000 -0.260) 0.369 7.003 ( 0.159 -0.000 0.727) 0.744 7.169 ( 0.071 -0.000 -0.414) 0.420 7.253 ( 0.326 -0.000 -0.207) 0.386 7.300 ( -1.999 0.000 -3.060) 3.655 7.409 ( 0.696 -0.000 0.262) 0.744 7.456 ( -0.255 0.000 -1.101) 1.130 7.485 ( 0.367 -0.000 0.103) 0.382 7.564 ( 0.188 -0.000 -0.069) 0.200 7.692 ( -1.160 0.000 -1.336) 1.769 7.887 ( 1.563 -0.000 1.058) 1.887 7.909 ( 1.216 -0.000 0.691) 1.399 8.135 ( -0.383 0.000 -0.910) 0.988 8.481 ( -0.844 0.000 -1.831) 2.016 8.784 ( 0.561 -0.000 1.307) 1.422 ======================= Grid point 429 (205/231) ======================= q-point: (-0.46 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.958 12.174 2.799) 12.528 1.395 ( -6.467 -4.859 5.437) 9.746 1.592 ( 0.796 -10.192 -2.764) 10.591 1.656 ( 5.898 -2.726 9.036) 11.130 1.855 ( -3.174 0.319 -6.361) 7.116 2.032 ( 6.769 -5.514 5.345) 10.237 2.165 ( -3.484 -6.774 -5.826) 9.590 2.291 ( -0.068 -24.311 1.098) 24.336 2.379 ( -1.833 -5.413 -1.364) 5.875 2.593 ( 0.397 -10.229 -0.260) 10.240 2.642 ( -2.006 -12.636 -0.931) 12.828 2.713 ( 0.343 -10.261 0.633) 10.286 2.978 ( -1.940 -7.974 7.755) 11.291 3.251 ( 4.194 -0.106 -6.879) 8.057 3.837 ( 2.502 1.432 9.565) 9.990 4.158 ( -1.829 -0.730 -2.806) 3.428 4.634 ( 0.546 0.843 -0.955) 1.386 4.912 ( -1.196 2.466 -1.229) 3.004 5.569 ( 0.104 2.136 -2.015) 2.938 6.310 ( 0.882 3.677 1.224) 3.974 6.349 ( 0.984 4.113 0.179) 4.233 6.915 ( -0.137 -0.895 -0.175) 0.922 7.001 ( 0.047 0.510 0.775) 0.929 7.152 ( -0.264 1.806 -0.498) 1.892 7.247 ( -0.173 1.971 -0.471) 2.033 7.262 ( -0.984 1.008 -1.459) 2.028 7.396 ( 0.117 1.955 -0.039) 1.958 7.430 ( 0.174 2.356 -0.461) 2.407 7.496 ( -0.338 -0.026 0.288) 0.444 7.521 ( -0.004 3.415 -0.944) 3.543 7.661 ( -0.711 1.904 -0.676) 2.142 7.848 ( 0.397 4.434 0.934) 4.549 7.883 ( 0.961 3.209 0.096) 3.351 8.088 ( -0.378 4.206 -0.564) 4.261 8.463 ( -0.369 1.148 -1.625) 2.023 8.763 ( 0.313 2.275 1.032) 2.518 ======================= Grid point 430 (206/231) ======================= q-point: (-0.38 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -3.116 -1.558 1.962) 3.998 1.531 ( -3.363 -9.885 10.708) 14.956 1.721 ( 6.562 -3.354 8.945) 11.590 1.827 ( -3.525 -1.511 -5.470) 6.680 1.876 ( 0.422 -12.706 -7.663) 14.844 2.186 ( 0.120 -8.882 -1.502) 9.009 2.376 ( 3.662 -9.668 6.502) 12.213 2.466 ( -2.996 -5.874 -4.100) 7.765 2.746 ( -0.596 -4.170 -1.604) 4.508 2.788 ( 1.432 -21.508 1.082) 21.582 2.889 ( -1.113 -9.274 3.643) 10.026 2.972 ( -2.252 -18.924 1.476) 19.115 3.209 ( -5.948 -11.259 -2.023) 12.893 3.391 ( 5.026 -16.393 -3.932) 17.591 3.810 ( -0.079 2.055 6.646) 6.957 4.190 ( -0.698 -3.721 -1.211) 3.975 4.619 ( 0.655 0.517 -1.722) 1.913 4.848 ( -0.090 3.194 -0.391) 3.219 5.510 ( 0.368 3.497 -1.495) 3.821 6.211 ( 0.682 6.460 0.959) 6.566 6.237 ( 0.327 7.003 -0.926) 7.072 6.926 ( -0.276 0.358 0.049) 0.455 6.970 ( 0.217 2.981 0.457) 3.024 7.093 ( -0.257 3.658 -0.654) 3.725 7.168 ( -0.744 4.853 -0.338) 4.921 7.255 ( 0.447 0.730 -0.068) 0.858 7.295 ( 0.105 7.646 -1.085) 7.724 7.380 ( 0.095 2.852 0.468) 2.891 7.455 ( -0.130 1.614 -0.287) 1.644 7.472 ( -0.249 3.010 -0.344) 3.040 7.641 ( -0.571 -0.529 0.017) 0.778 7.721 ( -0.225 8.144 0.636) 8.172 7.790 ( 0.417 6.450 -0.252) 6.468 7.983 ( -0.124 5.440 -0.298) 5.450 8.440 ( -0.058 0.649 -1.416) 1.559 8.706 ( 0.015 3.326 0.597) 3.379 ======================= Grid point 431 (207/231) ======================= q-point: (-0.31 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.042 -11.785 3.142) 12.241 1.715 ( 1.434 -6.396 5.767) 8.730 1.861 ( 2.739 -9.128 7.938) 12.403 1.889 ( 0.341 -5.713 -2.307) 6.171 2.100 ( 1.230 -10.111 -6.414) 12.036 2.361 ( -2.327 -7.327 -0.990) 7.752 2.488 ( 3.384 -1.460 4.043) 5.471 2.592 ( 1.752 -4.471 -0.362) 4.815 2.763 ( -0.608 0.453 -0.414) 0.864 3.078 ( 0.972 -6.853 4.836) 8.444 3.133 ( -3.169 -10.762 -4.110) 11.948 3.203 ( 0.642 -9.428 -0.428) 9.459 3.509 ( -3.236 -17.800 -0.605) 18.102 3.766 ( -3.467 -14.537 0.120) 14.945 3.808 ( -1.289 -5.330 2.341) 5.962 4.309 ( -0.639 -8.574 -0.411) 8.608 4.635 ( 0.290 -2.519 -1.783) 3.100 4.805 ( 0.246 0.323 -0.429) 0.591 5.444 ( 0.496 2.692 -1.209) 2.993 6.083 ( 0.947 5.903 0.806) 6.033 6.099 ( 0.344 5.954 -1.311) 6.106 6.848 ( -0.106 6.993 0.982) 7.063 6.901 ( 0.997 4.475 -1.584) 4.851 7.017 ( -0.613 4.128 0.596) 4.216 7.045 ( -1.099 6.383 -0.205) 6.480 7.145 ( 0.283 6.519 -0.696) 6.562 7.219 ( 1.641 3.731 -0.234) 4.083 7.317 ( -0.445 3.203 0.318) 3.250 7.393 ( -0.215 3.567 -0.064) 3.574 7.453 ( 0.524 -0.249 -0.600) 0.834 7.544 ( -0.142 8.556 0.579) 8.577 7.629 ( -0.055 6.439 0.096) 6.440 7.669 ( -0.024 0.766 0.187) 0.789 7.889 ( 0.158 3.755 -0.381) 3.777 8.437 ( -0.086 -0.389 -1.240) 1.302 8.639 ( -0.371 3.163 0.135) 3.187 ======================= Grid point 432 (208/231) ======================= q-point: (-0.23 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 2.904 -13.584 3.593) 14.348 1.835 ( 4.187 -5.687 -0.173) 7.064 2.017 ( 5.138 -5.194 1.489) 7.456 2.117 ( 1.192 -12.958 5.586) 14.161 2.297 ( 1.485 -9.564 -2.305) 9.950 2.402 ( -3.780 0.967 -3.863) 5.491 2.533 ( 2.738 -1.094 2.302) 3.741 2.614 ( 5.395 3.663 3.166) 7.249 2.756 ( 0.395 0.079 -0.312) 0.510 3.136 ( 1.228 -0.424 2.095) 2.465 3.283 ( 0.092 -5.283 -0.272) 5.291 3.330 ( -0.190 -1.614 -1.228) 2.037 3.714 ( -2.894 -3.632 2.072) 5.085 3.897 ( -5.107 -6.279 0.950) 8.149 3.977 ( -5.361 -4.257 -1.756) 7.067 4.498 ( -1.027 -9.752 -0.263) 9.809 4.730 ( -0.490 -6.883 -1.690) 7.105 4.874 ( 0.117 -7.629 -0.730) 7.665 5.433 ( 0.135 -2.111 -1.472) 2.577 6.021 ( 0.650 0.167 0.612) 0.909 6.048 ( 1.155 -1.443 -0.964) 2.085 6.702 ( 0.449 6.760 0.585) 6.800 6.796 ( 0.799 5.763 -1.784) 6.085 6.869 ( -0.399 8.325 0.794) 8.372 6.951 ( -2.034 4.233 0.582) 4.732 7.029 ( 1.069 6.052 -0.222) 6.150 7.120 ( 2.504 6.778 0.084) 7.226 7.245 ( -0.961 3.473 -1.134) 3.778 7.330 ( 0.361 2.799 -0.035) 2.822 7.414 ( 0.720 4.424 1.238) 4.650 7.460 ( 0.026 0.001 -1.242) 1.242 7.491 ( 1.378 5.837 -0.368) 6.009 7.670 ( -0.238 0.380 0.982) 1.080 7.833 ( 0.361 2.040 -0.394) 2.109 8.448 ( -0.245 -0.714 -1.134) 1.362 8.578 ( -0.744 2.581 -0.219) 2.694 ======================= Grid point 433 (209/231) ======================= q-point: (-0.15 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 2.425 -10.579 2.744) 11.195 2.007 ( 5.122 -8.444 1.134) 9.941 2.135 ( 5.911 -3.696 0.206) 6.975 2.311 ( -2.246 1.877 -1.839) 3.457 2.365 ( -2.283 -8.098 -4.917) 9.745 2.486 ( 0.781 -4.525 0.830) 4.666 2.545 ( 8.129 5.693 10.210) 14.238 2.584 ( 3.608 -6.071 1.745) 7.275 2.758 ( 1.199 0.071 -0.870) 1.483 3.142 ( -0.287 0.901 -0.045) 0.947 3.301 ( 1.781 2.622 -0.246) 3.179 3.339 ( 1.084 -0.125 1.553) 1.898 3.668 ( -2.938 5.415 2.309) 6.579 3.880 ( -7.534 5.632 -0.910) 9.450 3.933 ( -4.599 3.403 -2.007) 6.063 4.680 ( 0.098 -8.792 0.408) 8.802 4.875 ( -1.409 -7.256 -1.638) 7.571 5.072 ( 0.455 -10.241 -0.667) 10.273 5.522 ( -0.537 -6.002 -2.088) 6.377 6.085 ( -0.468 -5.658 0.662) 5.716 6.150 ( 0.804 -6.649 -0.758) 6.740 6.605 ( -0.006 2.992 0.499) 3.034 6.699 ( 0.068 3.374 -1.441) 3.669 6.717 ( 0.374 6.558 0.754) 6.612 6.843 ( -1.808 4.974 0.658) 5.333 6.904 ( 1.739 6.772 -0.159) 6.993 7.000 ( 2.541 6.315 0.528) 6.828 7.173 ( -0.889 3.118 -2.713) 4.228 7.287 ( 0.948 1.819 0.526) 2.118 7.361 ( 0.579 1.828 1.235) 2.281 7.412 ( 2.395 2.324 -0.455) 3.367 7.463 ( -0.294 -0.011 -0.946) 0.991 7.644 ( -0.293 2.116 0.897) 2.317 7.806 ( 0.395 0.904 -0.338) 1.043 8.458 ( -0.196 -0.551 -1.028) 1.183 8.528 ( -0.844 1.959 -0.439) 2.177 ======================= Grid point 434 (210/231) ======================= q-point: (-0.08 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -0.281 -4.774 0.277) 4.790 2.157 ( 1.732 -3.362 2.650) 4.618 2.239 ( 2.937 -1.732 -3.500) 4.886 2.261 ( 1.628 -1.855 3.689) 4.438 2.415 ( 5.175 5.390 4.815) 8.890 2.483 ( -1.198 0.911 0.535) 1.597 2.574 ( -3.382 -7.313 -3.822) 8.918 2.763 ( 0.269 -0.445 0.885) 1.027 2.824 ( 4.745 -10.513 4.276) 12.302 3.052 ( -2.701 5.989 -3.632) 7.507 3.285 ( 0.892 1.294 -1.404) 2.107 3.352 ( 2.668 -1.345 7.175) 7.772 3.548 ( -1.036 3.836 1.409) 4.216 3.701 ( -3.442 5.930 -1.245) 6.969 3.816 ( -3.612 5.043 -3.909) 7.332 4.834 ( 1.407 -5.495 0.821) 5.732 4.962 ( -1.958 -1.629 -1.239) 2.832 5.228 ( 0.579 -4.146 -0.415) 4.207 5.614 ( -0.481 -2.628 -2.311) 3.533 6.194 ( -0.729 -4.312 0.797) 4.445 6.244 ( 0.393 -1.308 -1.012) 1.700 6.581 ( -0.807 -0.567 0.382) 1.057 6.619 ( 1.448 3.818 0.262) 4.092 6.684 ( -1.449 -1.890 -0.609) 2.459 6.769 ( -0.114 1.225 0.355) 1.280 6.803 ( 0.836 3.196 -0.133) 3.307 6.900 ( 1.685 4.131 0.773) 4.527 7.113 ( -1.052 1.844 -3.100) 3.757 7.267 ( 0.826 0.746 0.967) 1.474 7.340 ( -0.050 0.252 -0.172) 0.309 7.404 ( 2.605 0.660 -0.169) 2.693 7.474 ( -0.584 -1.787 0.689) 2.003 7.589 ( -0.577 2.847 0.311) 2.922 7.797 ( 0.173 0.193 -0.312) 0.405 8.467 ( 0.149 -0.450 -0.887) 1.006 8.493 ( -0.470 1.172 -0.612) 1.404 ======================= Grid point 442 (211/231) ======================= q-point: (-0.46 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -8.095 0.000 5.110) 9.573 1.420 ( -6.863 0.000 -0.606) 6.890 1.483 ( -2.085 0.000 3.290) 3.895 1.720 ( 7.601 -0.000 8.053) 11.073 1.818 ( 0.780 -0.000 -0.985) 1.257 1.913 ( 1.772 -0.000 0.567) 1.860 1.945 ( -5.255 0.000 -4.406) 6.857 2.215 ( -1.972 0.000 -4.684) 5.082 2.280 ( -0.793 0.000 -0.023) 0.794 2.395 ( -1.005 0.000 -0.528) 1.135 2.512 ( -0.433 0.000 -0.035) 0.435 2.612 ( -0.339 0.000 1.284) 1.328 2.920 ( -2.600 0.000 7.329) 7.776 3.273 ( 5.912 -0.000 -6.916) 9.099 3.870 ( 1.009 -0.000 8.942) 8.999 4.141 ( -1.321 0.000 -2.659) 2.969 4.648 ( 1.439 -0.000 -0.894) 1.694 4.932 ( -0.561 0.000 -0.737) 0.927 5.589 ( 0.072 -0.000 -2.091) 2.092 6.351 ( 0.371 -0.000 0.695) 0.788 6.398 ( 1.120 -0.000 0.059) 1.122 6.904 ( -0.019 0.000 -0.110) 0.111 7.004 ( -0.160 0.000 0.639) 0.659 7.167 ( -0.415 0.000 -0.237) 0.478 7.254 ( -0.150 0.000 -0.246) 0.288 7.279 ( -1.226 0.000 -1.444) 1.894 7.410 ( -0.568 0.000 0.173) 0.594 7.452 ( -0.086 0.000 -0.854) 0.858 7.483 ( -0.671 0.000 0.216) 0.704 7.566 ( 0.293 -0.000 -0.452) 0.539 7.682 ( -0.318 0.000 -0.338) 0.464 7.893 ( -0.634 0.000 0.530) 0.827 7.920 ( 0.754 -0.000 -0.207) 0.782 8.129 ( -0.549 0.000 -0.420) 0.692 8.475 ( 0.112 -0.000 -1.317) 1.322 8.789 ( 0.082 -0.000 0.874) 0.877 ======================= Grid point 443 (212/231) ======================= q-point: (-0.38 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -10.940 9.891 2.377) 14.939 1.348 ( -5.462 -5.496 10.812) 13.302 1.592 ( 0.611 -12.523 -3.101) 12.916 1.740 ( 5.269 0.145 8.858) 10.308 1.808 ( -2.599 1.015 -7.837) 8.319 2.087 ( 0.847 -2.430 -0.669) 2.659 2.102 ( -5.061 -11.618 -3.227) 13.077 2.277 ( -2.481 -24.533 1.258) 24.691 2.370 ( -0.063 -5.350 0.469) 5.371 2.602 ( 1.146 -11.567 -0.743) 11.648 2.628 ( -0.414 -11.779 1.028) 11.831 2.702 ( -2.501 -10.603 0.166) 10.895 2.943 ( -5.913 -5.155 6.469) 10.168 3.305 ( 7.426 -0.809 -7.677) 10.712 3.855 ( -1.646 1.827 6.404) 6.860 4.144 ( -0.005 -0.934 -1.091) 1.436 4.644 ( 1.749 1.105 -1.384) 2.489 4.907 ( 0.393 2.314 0.079) 2.348 5.567 ( 0.210 2.029 -1.883) 2.776 6.316 ( -0.010 3.592 0.319) 3.606 6.358 ( 0.691 4.389 -0.761) 4.508 6.914 ( -0.003 -0.842 -0.019) 0.843 7.001 ( -0.208 0.428 0.641) 0.798 7.148 ( -0.379 1.755 -0.238) 1.811 7.241 ( -0.713 2.915 -0.276) 3.014 7.256 ( -0.155 -0.308 -0.285) 0.448 7.392 ( -0.738 1.784 -0.139) 1.936 7.430 ( 0.047 2.112 -0.595) 2.195 7.490 ( -0.961 -0.252 0.512) 1.118 7.520 ( 0.039 3.865 -0.786) 3.945 7.657 ( 0.096 1.936 0.184) 1.947 7.845 ( -1.132 4.287 0.202) 4.439 7.888 ( 0.009 3.344 -0.597) 3.397 8.083 ( -0.430 4.076 -0.112) 4.100 8.461 ( 0.480 1.203 -1.062) 1.675 8.765 ( -0.169 2.302 0.531) 2.369 ======================= Grid point 444 (213/231) ======================= q-point: (-0.31 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -2.173 -4.684 4.816) 7.061 1.518 ( -2.684 -11.802 12.028) 17.064 1.750 ( -3.496 -2.353 -3.435) 5.437 1.829 ( 5.811 -3.013 2.650) 7.061 1.887 ( 3.597 -12.440 -3.886) 13.520 2.157 ( -4.204 -9.048 -3.726) 10.650 2.407 ( -1.740 -12.915 -2.208) 13.217 2.455 ( 3.225 -4.971 4.214) 7.271 2.707 ( -5.119 -12.594 -2.679) 13.856 2.801 ( -0.007 -12.010 -0.903) 12.044 2.893 ( 0.349 -10.445 4.710) 11.464 2.958 ( -1.033 -18.386 3.391) 18.725 3.141 ( -6.975 -15.094 0.166) 16.628 3.426 ( 3.178 -11.100 -6.002) 13.013 3.804 ( -2.712 1.979 4.392) 5.529 4.184 ( -0.182 -3.519 -0.174) 3.528 4.628 ( 1.441 0.934 -1.626) 2.365 4.852 ( 0.802 3.244 0.275) 3.353 5.512 ( 0.358 3.380 -1.684) 3.793 6.215 ( 0.077 6.165 0.025) 6.166 6.241 ( 0.582 7.129 -1.057) 7.231 6.923 ( -0.288 0.519 0.200) 0.627 6.973 ( 0.276 2.597 0.417) 2.645 7.092 ( 0.324 3.651 -0.230) 3.673 7.160 ( -0.804 4.846 0.411) 4.929 7.260 ( 0.603 0.329 -0.300) 0.749 7.296 ( 0.414 7.535 -0.900) 7.600 7.376 ( -0.727 2.836 -0.112) 2.930 7.452 ( -0.408 1.805 -0.194) 1.860 7.470 ( -0.105 2.425 0.017) 2.427 7.637 ( -0.247 -0.291 0.684) 0.783 7.715 ( -0.919 7.867 0.278) 7.925 7.789 ( -0.406 6.281 -0.920) 6.361 7.981 ( -0.118 5.277 -0.136) 5.280 8.441 ( 0.463 0.824 -0.864) 1.280 8.704 ( -0.492 3.396 0.115) 3.434 ======================= Grid point 445 (214/231) ======================= q-point: (-0.23 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 4.228 -12.735 5.673) 14.568 1.741 ( 2.091 -7.080 3.224) 8.056 1.849 ( -1.905 -11.569 -0.564) 11.739 1.951 ( 6.758 -5.429 5.493) 10.262 2.119 ( 3.919 -9.379 -3.780) 10.845 2.327 ( -3.082 -7.160 -2.107) 8.075 2.495 ( -0.621 -3.282 -3.068) 4.536 2.650 ( 6.270 -4.499 4.245) 8.807 2.755 ( -0.486 -0.672 0.366) 0.906 3.086 ( -2.745 -13.087 -0.150) 13.373 3.101 ( 0.046 -6.412 2.048) 6.731 3.211 ( 0.912 -8.977 -0.136) 9.024 3.468 ( -4.644 -18.106 0.477) 18.698 3.716 ( -6.125 -14.601 -0.865) 15.857 3.788 ( -3.208 -2.953 2.260) 4.911 4.296 ( -1.555 -8.376 -0.832) 8.560 4.637 ( 0.542 -1.992 -1.486) 2.544 4.808 ( 0.388 0.614 -0.326) 0.796 5.446 ( 0.242 2.724 -1.724) 3.232 6.094 ( 0.894 5.394 0.028) 5.467 6.104 ( 1.001 5.984 -0.790) 6.118 6.851 ( 0.224 6.550 1.066) 6.640 6.911 ( 1.188 4.449 -1.333) 4.794 7.014 ( -0.062 4.099 0.806) 4.178 7.033 ( -1.006 7.197 0.480) 7.283 7.150 ( 0.748 6.230 -0.266) 6.280 7.239 ( 2.223 3.056 -0.600) 3.826 7.309 ( -1.130 3.510 0.047) 3.687 7.389 ( -0.597 3.344 -0.440) 3.425 7.454 ( -0.001 -0.221 -1.377) 1.394 7.544 ( -0.139 8.006 0.602) 8.030 7.631 ( 0.318 5.665 0.690) 5.716 7.668 ( -0.150 1.002 -0.169) 1.027 7.891 ( 0.250 3.635 -0.358) 3.661 8.435 ( 0.071 -0.179 -0.795) 0.818 8.632 ( -0.891 3.252 -0.231) 3.380 ======================= Grid point 446 (215/231) ======================= q-point: (-0.15 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 5.085 -12.748 5.631) 14.835 1.884 ( 5.344 -6.919 -1.168) 8.820 2.078 ( 6.230 -6.496 -0.401) 9.009 2.132 ( 0.768 -11.009 2.712) 11.364 2.320 ( 1.243 -8.691 -1.526) 8.911 2.357 ( -1.190 0.244 -2.544) 2.820 2.553 ( 1.673 -1.288 -0.930) 2.306 2.691 ( 5.414 1.158 3.434) 6.515 2.779 ( 5.017 1.239 3.807) 6.419 3.158 ( 2.414 -0.242 2.435) 3.437 3.287 ( 0.424 -6.666 -0.234) 6.684 3.322 ( -0.780 -1.803 -0.750) 2.102 3.679 ( -4.403 -4.133 2.280) 6.455 3.836 ( -6.885 -4.580 1.758) 8.454 3.902 ( -8.375 -4.920 -1.960) 9.909 4.482 ( -1.740 -10.373 -0.899) 10.556 4.721 ( -0.767 -6.305 -1.598) 6.550 4.873 ( -0.061 -7.692 -0.869) 7.741 5.429 ( -0.381 -1.843 -2.060) 2.790 6.031 ( 1.106 0.713 0.509) 1.411 6.061 ( 1.437 -1.532 -0.739) 2.227 6.710 ( 0.755 6.904 0.841) 6.996 6.802 ( 0.756 6.157 -1.821) 6.465 6.869 ( 0.008 8.135 1.074) 8.206 6.934 ( -1.420 4.461 1.142) 4.819 7.043 ( 1.696 5.741 0.196) 5.989 7.148 ( 2.570 6.911 0.441) 7.387 7.230 ( -1.282 3.287 -2.142) 4.127 7.332 ( 0.173 2.245 -0.631) 2.338 7.424 ( 0.922 4.087 0.773) 4.260 7.456 ( -0.365 0.087 -1.293) 1.346 7.507 ( 1.678 5.367 -0.496) 5.645 7.670 ( -0.054 0.404 1.093) 1.167 7.837 ( 0.496 2.000 -0.371) 2.094 8.443 ( -0.246 -0.640 -0.802) 1.055 8.568 ( -1.186 2.587 -0.429) 2.878 ======================= Grid point 447 (216/231) ======================= q-point: (-0.08 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 4.035 -9.226 4.303) 10.950 2.067 ( 5.792 -7.248 1.355) 9.377 2.198 ( 6.065 -3.061 -2.405) 7.207 2.285 ( -1.334 2.122 -1.418) 2.879 2.331 ( -2.522 -9.130 -5.611) 11.009 2.486 ( -0.826 -0.795 -1.288) 1.724 2.629 ( 4.099 -8.382 5.178) 10.671 2.663 ( 10.191 6.532 10.106) 15.768 2.780 ( 3.554 -0.148 -0.341) 3.574 3.134 ( -0.717 3.677 -2.110) 4.300 3.322 ( 2.099 0.843 -1.385) 2.652 3.361 ( 2.387 -0.656 4.714) 5.325 3.636 ( -4.013 4.618 2.641) 6.663 3.792 ( -8.936 4.586 -0.442) 10.054 3.871 ( -6.734 2.716 -2.809) 7.786 4.682 ( 0.122 -9.810 0.510) 9.824 4.856 ( -1.687 -7.029 -1.471) 7.377 5.073 ( 0.117 -10.521 -1.167) 10.587 5.510 ( -1.067 -5.906 -2.362) 6.450 6.083 ( -0.035 -4.965 0.603) 5.002 6.156 ( 0.536 -6.106 -0.642) 6.163 6.606 ( -0.004 3.567 0.575) 3.613 6.696 ( -0.158 3.719 -1.287) 3.939 6.725 ( 0.817 6.193 0.778) 6.295 6.828 ( -1.272 4.817 0.798) 5.046 6.926 ( 2.598 6.834 0.401) 7.322 7.027 ( 2.387 6.239 0.912) 6.742 7.159 ( -0.761 3.151 -3.393) 4.693 7.296 ( 0.730 1.575 -0.206) 1.748 7.369 ( 0.787 2.337 1.100) 2.700 7.441 ( 3.081 1.740 -0.009) 3.539 7.454 ( -1.059 0.161 -1.341) 1.716 7.642 ( -0.344 2.325 0.708) 2.454 7.810 ( 0.474 0.995 -0.327) 1.150 8.455 ( -0.193 -0.669 -0.798) 1.059 8.517 ( -1.094 1.780 -0.532) 2.156 ======================= Grid point 456 (217/231) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -11.358 0.000 6.976) 13.329 1.315 ( -13.112 0.000 2.147) 13.287 1.410 ( -10.885 0.000 2.848) 11.251 1.801 ( -3.398 0.000 -3.892) 5.166 1.813 ( 5.475 -0.000 -2.987) 6.237 1.883 ( -3.372 0.000 4.882) 5.933 1.947 ( 4.064 -0.000 1.020) 4.190 2.191 ( -2.267 0.000 -1.828) 2.912 2.272 ( -0.889 0.000 0.831) 1.217 2.375 ( -2.725 0.000 -0.606) 2.791 2.504 ( -1.046 0.000 0.107) 1.052 2.614 ( 0.632 -0.000 1.130) 1.295 2.891 ( -4.623 0.000 5.228) 6.979 3.334 ( 7.374 -0.000 -8.051) 10.918 3.863 ( -4.336 0.000 4.213) 6.046 4.141 ( 1.871 -0.000 0.415) 1.917 4.667 ( 2.371 -0.000 -1.532) 2.823 4.936 ( 1.294 -0.000 0.943) 1.601 5.588 ( 0.209 -0.000 -1.917) 1.929 6.351 ( -0.584 0.000 -0.180) 0.611 6.406 ( 0.441 -0.000 -1.387) 1.456 6.905 ( 0.216 -0.000 0.066) 0.226 7.001 ( -0.490 0.000 0.540) 0.729 7.160 ( -0.798 0.000 -0.061) 0.800 7.249 ( -0.548 0.000 -0.257) 0.606 7.271 ( -0.170 0.000 0.510) 0.538 7.398 ( -1.701 0.000 0.061) 1.702 7.451 ( 0.077 -0.000 -0.486) 0.493 7.472 ( -1.565 0.000 0.361) 1.607 7.568 ( 0.272 -0.000 -0.640) 0.695 7.685 ( 0.762 -0.000 0.560) 0.946 7.878 ( -2.083 0.000 -0.490) 2.140 7.921 ( -0.522 0.000 -0.795) 0.951 8.123 ( -0.514 0.000 0.192) 0.549 8.479 ( 1.014 -0.000 -0.720) 1.243 8.788 ( -0.361 0.000 0.267) 0.449 ======================= Grid point 457 (218/231) ======================= q-point: (-0.31 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -13.118 4.262 5.213) 14.745 1.306 ( -6.088 -6.993 11.800) 15.007 1.581 ( -3.122 -15.876 -0.173) 16.181 1.710 ( -7.384 1.137 -7.002) 10.239 1.850 ( 7.125 -0.492 3.361) 7.894 2.015 ( -7.094 -3.615 -7.392) 10.865 2.092 ( -1.813 -12.603 1.627) 12.836 2.265 ( -0.373 -17.796 3.203) 18.086 2.369 ( -0.659 -6.934 1.430) 7.111 2.595 ( -1.926 -14.272 -1.098) 14.443 2.634 ( -1.548 -15.334 0.955) 15.441 2.680 ( 0.566 -6.343 0.587) 6.395 2.889 ( -6.039 -2.966 4.987) 8.375 3.366 ( 6.395 -0.601 -8.405) 10.579 3.823 ( -5.477 1.401 2.517) 6.188 4.156 ( 2.234 -0.337 1.409) 2.663 4.664 ( 2.331 1.351 -1.703) 3.187 4.920 ( 1.822 2.469 1.399) 3.373 5.567 ( 0.288 1.974 -1.860) 2.728 6.312 ( -0.789 3.416 -0.514) 3.543 6.361 ( 0.205 4.351 -1.786) 4.708 6.915 ( 0.131 -0.698 0.140) 0.724 6.999 ( -0.493 0.263 0.472) 0.732 7.144 ( -0.343 1.365 0.052) 1.408 7.236 ( -0.257 2.948 0.783) 3.061 7.255 ( -0.162 -0.438 0.079) 0.474 7.380 ( -1.426 1.152 -0.203) 1.844 7.430 ( 0.089 2.314 -0.594) 2.390 7.478 ( -1.491 -0.671 0.757) 1.801 7.520 ( 0.206 4.100 -0.405) 4.125 7.664 ( 0.936 2.203 0.773) 2.516 7.827 ( -2.141 3.907 -0.549) 4.489 7.880 ( -1.224 3.388 -1.225) 3.805 8.079 ( -0.416 3.985 0.292) 4.017 8.469 ( 1.253 1.352 -0.429) 1.892 8.761 ( -0.596 2.341 -0.110) 2.418 ======================= Grid point 458 (219/231) ======================= q-point: (-0.23 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -0.131 -9.412 7.122) 11.804 1.511 ( -2.185 -13.890 11.878) 18.407 1.692 ( -5.262 -3.711 -7.868) 10.167 1.894 ( 5.457 -6.891 0.509) 8.805 1.939 ( 6.239 -10.130 2.822) 12.227 2.102 ( -4.677 -10.325 -4.493) 12.193 2.363 ( -4.719 -10.698 -3.818) 12.301 2.504 ( 3.524 -10.127 5.343) 11.980 2.649 ( -4.787 -15.008 -1.947) 15.873 2.786 ( -2.110 -6.812 -1.497) 7.286 2.897 ( -1.171 -13.803 3.922) 14.397 2.966 ( 1.450 -16.228 3.234) 16.611 3.066 ( -7.710 -18.112 1.240) 19.723 3.440 ( 1.705 -6.526 -6.593) 9.432 3.770 ( -4.686 1.048 2.096) 5.239 4.186 ( 0.361 -2.256 0.873) 2.446 4.642 ( 1.749 1.394 -1.495) 2.690 4.865 ( 1.496 3.705 0.895) 4.094 5.512 ( 0.263 3.370 -1.911) 3.883 6.213 ( -0.291 5.717 -0.718) 5.770 6.245 ( 0.526 6.824 -1.199) 6.948 6.921 ( -0.282 0.683 0.234) 0.775 6.976 ( 0.208 2.039 0.439) 2.096 7.099 ( 1.067 3.392 0.131) 3.558 7.155 ( -0.413 5.022 1.208) 5.182 7.264 ( 0.121 0.077 -0.610) 0.627 7.301 ( 0.998 6.988 -0.716) 7.095 7.366 ( -1.178 2.689 -0.478) 2.975 7.447 ( -0.681 2.176 0.278) 2.297 7.469 ( -0.015 1.997 0.061) 1.998 7.639 ( 0.261 0.143 1.130) 1.168 7.704 ( -1.369 7.168 0.034) 7.297 7.778 ( -1.201 5.897 -1.551) 6.214 7.980 ( -0.147 5.106 -0.053) 5.109 8.447 ( 0.962 1.183 -0.274) 1.549 8.696 ( -0.920 3.484 -0.459) 3.632 ======================= Grid point 459 (220/231) ======================= q-point: (-0.15 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 5.120 -13.680 7.226) 16.297 1.764 ( 1.915 -7.408 -1.820) 7.865 1.839 ( -0.183 -14.996 2.476) 15.200 2.028 ( 6.772 -5.260 3.985) 9.455 2.157 ( 3.222 -8.218 -4.051) 9.712 2.310 ( 1.154 -6.715 0.322) 6.821 2.481 ( -1.066 -6.387 -3.289) 7.263 2.684 ( -0.822 -1.534 -1.793) 2.499 2.780 ( 4.923 -6.566 5.140) 9.683 3.047 ( -3.399 -15.598 -2.245) 16.121 3.117 ( 0.861 -6.844 6.126) 9.225 3.222 ( 1.285 -7.899 -0.513) 8.019 3.417 ( -5.329 -17.927 0.969) 18.727 3.640 ( -7.856 -13.288 -1.867) 15.549 3.752 ( -4.334 -1.596 2.284) 5.153 4.275 ( -2.157 -7.668 -1.155) 8.049 4.642 ( 0.676 -1.318 -1.257) 1.942 4.812 ( 0.505 1.180 -0.141) 1.292 5.444 ( -0.077 2.884 -2.147) 3.596 6.103 ( 0.928 4.663 -0.489) 4.779 6.115 ( 1.144 5.838 -0.418) 5.963 6.855 ( 0.167 5.924 0.832) 5.984 6.921 ( 1.061 4.348 -0.738) 4.536 7.017 ( 0.308 5.169 0.427) 5.196 7.030 ( 0.378 7.107 1.389) 7.251 7.160 ( 1.293 5.854 0.302) 6.002 7.259 ( 1.655 1.834 -1.550) 2.916 7.297 ( -1.028 4.290 0.455) 4.435 7.380 ( -0.930 3.169 -0.808) 3.400 7.450 ( -0.326 0.091 -1.632) 1.667 7.543 ( -0.132 7.135 0.643) 7.165 7.636 ( 0.305 5.840 0.207) 5.852 7.666 ( -0.080 0.018 0.079) 0.115 7.893 ( 0.262 3.461 -0.363) 3.490 8.436 ( 0.338 0.182 -0.317) 0.498 8.620 ( -1.282 3.334 -0.648) 3.630 ======================= Grid point 460 (221/231) ======================= q-point: (-0.08 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 5.474 -12.328 7.105) 15.246 1.939 ( 5.534 -8.546 -1.446) 10.283 2.123 ( 1.984 -11.314 -2.111) 11.679 2.163 ( 5.423 -4.243 1.832) 7.125 2.288 ( -3.087 -2.367 -7.164) 8.152 2.394 ( 4.254 -5.504 3.938) 7.994 2.568 ( 1.398 -0.995 -0.241) 1.733 2.725 ( 2.719 -3.710 -1.242) 4.765 2.873 ( 9.801 2.705 7.530) 12.652 3.191 ( 3.175 0.679 1.863) 3.743 3.278 ( -1.822 -7.379 -3.183) 8.240 3.326 ( 1.260 -3.686 3.579) 5.290 3.629 ( -6.164 -4.780 2.427) 8.169 3.765 ( -7.244 -1.579 2.319) 7.769 3.804 ( -9.479 -6.302 -2.023) 11.561 4.461 ( -2.057 -11.351 -1.479) 11.630 4.710 ( -0.785 -5.554 -1.464) 5.797 4.870 ( -0.209 -7.602 -0.896) 7.657 5.420 ( -0.792 -1.509 -2.413) 2.954 6.044 ( 1.210 1.028 0.328) 1.621 6.075 ( 1.446 -1.399 -0.496) 2.073 6.719 ( 0.658 7.019 0.873) 7.103 6.806 ( 0.549 6.646 -1.639) 6.867 6.872 ( 0.369 7.789 0.907) 7.850 6.927 ( -0.119 5.041 1.629) 5.299 7.065 ( 2.302 5.379 0.946) 5.927 7.170 ( 1.109 6.973 1.206) 7.163 7.217 ( -0.153 2.993 -3.351) 4.495 7.331 ( -0.168 1.709 -1.185) 2.086 7.433 ( 0.563 2.905 -0.995) 3.121 7.451 ( -0.341 0.903 0.176) 0.981 7.522 ( 1.549 4.757 -0.753) 5.059 7.672 ( 0.125 0.551 1.081) 1.220 7.842 ( 0.511 1.941 -0.373) 2.042 8.441 ( -0.068 -0.487 -0.441) 0.661 8.553 ( -1.430 2.543 -0.667) 2.993 ======================= Grid point 470 (222/231) ======================= q-point: (-0.31 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -16.843 0.000 5.488) 17.715 1.168 ( -15.989 0.000 5.391) 16.873 1.310 ( -8.687 0.000 8.260) 11.987 1.738 ( -6.983 0.000 -6.848) 9.780 1.749 ( -9.465 0.000 -9.836) 13.651 1.955 ( 8.398 -0.000 9.098) 12.381 1.993 ( 4.324 -0.000 1.577) 4.603 2.151 ( -5.223 0.000 -0.096) 5.224 2.264 ( -0.924 0.000 1.728) 1.959 2.340 ( -3.601 0.000 -0.843) 3.698 2.490 ( -1.667 0.000 0.179) 1.677 2.635 ( 3.181 -0.000 0.915) 3.310 2.846 ( -5.261 0.000 2.983) 6.048 3.388 ( 5.181 -0.000 -8.889) 10.289 3.806 ( -6.558 0.000 1.013) 6.636 4.174 ( 3.656 -0.000 2.388) 4.367 4.690 ( 2.511 -0.000 -1.946) 3.177 4.960 ( 2.648 -0.000 2.335) 3.530 5.587 ( 0.290 -0.000 -1.874) 1.896 6.340 ( -1.327 0.000 -0.935) 1.623 6.403 ( -0.247 0.000 -2.681) 2.692 6.908 ( 0.380 -0.000 0.232) 0.445 6.995 ( -0.825 0.000 0.431) 0.931 7.151 ( -0.897 0.000 0.126) 0.906 7.242 ( -0.879 0.000 -0.318) 0.935 7.277 ( 1.006 -0.000 2.376) 2.580 7.377 ( -2.267 0.000 0.040) 2.268 7.452 ( 0.246 -0.000 0.006) 0.246 7.453 ( -2.194 0.000 0.462) 2.243 7.571 ( 0.426 -0.000 -0.434) 0.609 7.698 ( 1.520 -0.000 0.901) 1.767 7.851 ( -2.704 0.000 -1.184) 2.952 7.906 ( -2.001 0.000 -1.444) 2.468 8.119 ( -0.502 0.000 0.605) 0.787 8.493 ( 1.784 -0.000 -0.055) 1.785 8.782 ( -0.738 0.000 -0.467) 0.873 ======================= Grid point 471 (223/231) ======================= q-point: (-0.23 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -10.511 -2.378 8.359) 13.639 1.260 ( -6.649 -9.582 11.358) 16.280 1.525 ( -7.480 -20.699 3.059) 22.221 1.610 ( -9.172 -0.142 -9.180) 12.977 1.894 ( -2.899 -9.485 -5.808) 11.493 1.952 ( 0.223 1.977 0.819) 2.152 2.086 ( 0.837 -9.038 2.240) 9.349 2.270 ( -0.158 -14.867 3.713) 15.325 2.362 ( -1.109 -7.890 2.423) 8.328 2.560 ( -4.566 -18.157 -1.468) 18.780 2.600 ( -3.294 -11.572 0.407) 12.038 2.713 ( 3.829 -6.185 0.063) 7.275 2.834 ( -5.637 -2.328 2.823) 6.720 3.404 ( 3.217 -0.377 -8.161) 8.780 3.764 ( -5.762 0.925 0.417) 5.851 4.188 ( 2.988 0.588 2.393) 3.873 4.685 ( 2.195 1.512 -1.847) 3.243 4.947 ( 2.670 2.837 2.340) 4.545 5.567 ( 0.265 1.976 -1.930) 2.775 6.299 ( -1.259 3.141 -1.109) 3.561 6.357 ( -0.248 4.084 -2.552) 4.823 6.917 ( 0.242 -0.504 0.266) 0.619 6.993 ( -0.759 0.034 0.318) 0.824 7.141 ( -0.156 0.743 0.258) 0.802 7.237 ( 0.057 1.912 0.740) 2.051 7.254 ( -0.044 0.806 1.256) 1.493 7.364 ( -1.491 0.462 -0.206) 1.574 7.431 ( 0.295 2.555 -0.300) 2.590 7.462 ( -1.779 -1.130 0.899) 2.291 7.524 ( 0.613 4.146 0.180) 4.195 7.677 ( 1.346 2.523 0.848) 2.983 7.802 ( -2.438 3.521 -0.904) 4.377 7.859 ( -2.327 3.211 -1.837) 4.370 8.075 ( -0.478 3.932 0.458) 3.987 8.485 ( 1.869 1.571 0.226) 2.452 8.752 ( -0.947 2.387 -0.837) 2.701 ======================= Grid point 472 (224/231) ======================= q-point: (-0.15 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.789 -13.189 8.341) 15.708 1.508 ( -2.122 -16.121 10.133) 19.160 1.625 ( -4.873 -6.145 -8.359) 11.462 1.938 ( 2.850 -13.678 -0.763) 13.993 1.998 ( 2.484 -8.064 -1.413) 8.555 2.067 ( 0.610 -11.946 2.168) 12.156 2.311 ( -3.750 -9.981 -1.570) 10.777 2.538 ( 1.642 -11.966 4.292) 12.818 2.608 ( -2.846 -14.147 -0.614) 14.443 2.757 ( -3.037 -5.910 -1.936) 6.921 2.883 ( -2.716 -15.051 4.037) 15.818 2.976 ( -3.975 -19.899 -2.096) 20.400 3.000 ( -1.541 -15.401 3.440) 15.856 3.443 ( 0.660 -3.520 -5.533) 6.591 3.718 ( -5.341 0.411 0.287) 5.364 4.193 ( 0.664 -0.528 1.419) 1.654 4.657 ( 1.548 1.748 -1.412) 2.728 4.884 ( 1.876 4.403 1.393) 4.985 5.511 ( 0.056 3.455 -2.126) 4.057 6.209 ( -0.351 5.090 -0.959) 5.191 6.247 ( 0.235 6.336 -1.425) 6.498 6.918 ( -0.250 0.925 0.166) 0.972 6.979 ( 0.044 1.396 0.473) 1.474 7.114 ( 1.762 2.715 0.290) 3.250 7.157 ( 0.461 5.440 1.931) 5.791 7.260 ( -0.723 -0.140 -0.947) 1.200 7.314 ( 1.635 6.385 -0.607) 6.619 7.353 ( -1.017 2.396 -0.506) 2.652 7.439 ( -0.921 2.482 0.891) 2.793 7.470 ( 0.200 1.966 0.084) 1.978 7.646 ( 0.686 0.699 1.181) 1.534 7.688 ( -1.482 6.207 -0.005) 6.382 7.760 ( -1.817 5.358 -2.109) 6.038 7.978 ( -0.229 4.923 -0.080) 4.929 8.459 ( 1.399 1.643 0.297) 2.178 8.684 ( -1.242 3.573 -1.073) 3.932 ======================= Grid point 473 (225/231) ======================= q-point: (-0.08 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 4.148 -14.368 7.919) 16.922 1.773 ( 1.144 -9.656 -5.208) 11.031 1.852 ( 1.179 -16.629 4.926) 17.383 2.103 ( 6.789 -5.225 2.967) 9.066 2.157 ( -0.879 -7.133 -8.325) 10.998 2.356 ( 5.159 -3.755 3.863) 7.459 2.471 ( 1.012 -12.364 -0.312) 12.409 2.654 ( -3.352 -1.137 -3.310) 4.846 2.843 ( 4.786 -11.123 4.941) 13.078 3.015 ( -2.375 -15.874 -0.716) 16.067 3.132 ( -0.008 -9.637 6.571) 11.664 3.236 ( 1.875 -6.615 -1.721) 7.088 3.363 ( -5.367 -17.808 0.643) 18.610 3.555 ( -7.643 -9.795 -2.132) 12.605 3.708 ( -4.689 -1.758 2.114) 5.436 4.251 ( -2.133 -6.541 -1.280) 6.998 4.647 ( 0.650 -0.708 -1.137) 1.489 4.818 ( 0.566 1.919 0.098) 2.003 5.438 ( -0.394 3.106 -2.383) 3.935 6.112 ( 0.920 4.057 -0.413) 4.181 6.125 ( 0.878 5.423 -0.486) 5.515 6.856 ( -0.135 5.333 0.366) 5.347 6.930 ( 0.794 4.276 0.020) 4.349 7.022 ( 0.495 7.161 0.709) 7.213 7.047 ( 2.231 6.027 1.148) 6.528 7.177 ( 1.883 5.379 1.057) 5.797 7.258 ( -1.053 1.659 -2.535) 3.207 7.299 ( 1.131 4.073 0.994) 4.342 7.367 ( -1.247 3.021 -1.098) 3.448 7.444 ( -0.169 0.580 -1.283) 1.418 7.543 ( -0.108 6.266 0.675) 6.303 7.634 ( -0.496 5.854 -1.447) 6.050 7.669 ( 0.456 -0.890 1.034) 1.439 7.895 ( 0.201 3.257 -0.396) 3.287 8.442 ( 0.693 0.624 0.139) 0.943 8.604 ( -1.499 3.381 -1.079) 3.852 ======================= Grid point 484 (226/231) ======================= q-point: (-0.23 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -18.089 0.000 5.683) 18.960 1.012 ( -15.868 0.000 9.311) 18.398 1.262 ( -4.244 0.000 11.964) 12.695 1.628 ( -10.985 0.000 -6.731) 12.883 1.641 ( -8.923 0.000 -9.411) 12.969 2.019 ( -1.597 0.000 1.788) 2.397 2.037 ( 3.418 -0.000 1.732) 3.831 2.115 ( 1.810 -0.000 4.369) 4.729 2.256 ( -1.411 0.000 2.864) 3.193 2.303 ( -2.929 0.000 -1.490) 3.287 2.471 ( -2.055 0.000 0.160) 2.061 2.677 ( 4.401 -0.000 0.064) 4.401 2.790 ( -6.199 0.000 0.050) 6.199 3.406 ( 0.668 -0.000 -7.703) 7.732 3.748 ( -4.241 0.000 -0.409) 4.261 4.217 ( 3.659 -0.000 2.553) 4.461 4.711 ( 2.017 -0.000 -2.064) 2.886 4.995 ( 3.160 -0.000 3.055) 4.395 5.587 ( 0.241 -0.000 -1.929) 1.944 6.322 ( -1.631 0.000 -1.381) 2.137 6.394 ( -0.640 0.000 -3.432) 3.491 6.913 ( 0.471 -0.000 0.363) 0.595 6.986 ( -1.109 0.000 0.318) 1.154 7.144 ( -0.641 0.000 0.326) 0.719 7.230 ( -1.252 0.000 -0.503) 1.349 7.299 ( 2.130 -0.000 3.760) 4.322 7.355 ( -1.949 0.000 0.190) 1.958 7.429 ( -2.485 0.000 0.471) 2.529 7.456 ( 0.434 -0.000 0.599) 0.740 7.577 ( 0.832 -0.000 -0.015) 0.832 7.715 ( 1.365 -0.000 0.499) 1.454 7.822 ( -2.398 0.000 -1.245) 2.702 7.877 ( -3.044 0.000 -2.008) 3.647 8.114 ( -0.585 0.000 0.694) 0.907 8.515 ( 2.310 -0.000 0.595) 2.385 8.771 ( -1.038 0.000 -1.248) 1.623 ======================= Grid point 485 (227/231) ======================= q-point: (-0.15 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -4.822 -9.165 10.675) 14.873 1.194 ( -9.144 -14.255 7.851) 18.667 1.462 ( -5.548 -22.026 7.412) 23.893 1.499 ( -9.024 -1.194 -8.337) 12.343 1.814 ( -7.322 -12.164 -8.032) 16.312 1.977 ( 0.916 -1.437 3.089) 3.528 2.115 ( 3.548 -5.786 2.581) 7.261 2.272 ( -0.206 -13.316 3.452) 13.758 2.357 ( -0.599 -8.789 3.407) 9.445 2.510 ( -4.097 -18.057 -1.366) 18.566 2.572 ( -2.401 -10.649 0.213) 10.918 2.731 ( -2.126 -1.940 -2.517) 3.824 2.792 ( -1.338 -5.798 0.149) 5.953 3.407 ( -0.343 -0.913 -5.328) 5.417 3.715 ( -3.410 1.308 -1.220) 3.851 4.222 ( 2.755 1.367 2.345) 3.867 4.702 ( 1.563 1.588 -1.842) 2.891 4.980 ( 2.819 3.239 2.745) 5.097 5.566 ( 0.100 2.028 -2.042) 2.880 6.284 ( -1.240 2.800 -1.257) 3.310 6.348 ( -0.514 3.763 -2.914) 4.787 6.921 ( 0.343 -0.301 0.346) 0.573 6.984 ( -0.927 -0.243 0.206) 0.980 7.142 ( 0.220 0.081 0.389) 0.454 7.232 ( -1.050 -0.612 -0.775) 1.442 7.264 ( 1.425 3.646 3.305) 5.123 7.352 ( -0.741 -0.036 -0.046) 0.743 7.434 ( 0.124 2.152 0.165) 2.162 7.446 ( -1.309 -0.998 0.874) 1.863 7.534 ( 1.235 4.059 0.810) 4.319 7.690 ( 0.820 2.633 0.288) 2.773 7.778 ( -1.830 3.317 -0.564) 3.830 7.828 ( -2.940 2.883 -2.412) 4.772 8.070 ( -0.559 3.892 0.400) 3.953 8.508 ( 2.227 1.815 0.796) 2.981 8.739 ( -1.210 2.435 -1.559) 3.134 ======================= Grid point 486 (228/231) ======================= q-point: (-0.08 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 2.894 -14.773 8.815) 17.445 1.486 ( -4.517 -17.752 3.119) 18.581 1.576 ( -2.601 -9.724 -3.443) 10.639 1.953 ( 0.501 -21.022 -0.474) 21.034 1.977 ( -2.772 -9.311 -9.000) 13.243 2.124 ( 6.219 -11.429 10.770) 16.890 2.294 ( 0.433 -7.916 1.527) 8.073 2.553 ( 0.324 -11.712 3.116) 12.123 2.588 ( -1.027 -13.259 0.657) 13.315 2.718 ( -4.042 -6.975 -2.301) 8.384 2.849 ( -5.089 -15.569 2.653) 16.594 2.915 ( -4.759 -22.327 -0.786) 22.842 3.013 ( 1.502 -13.859 -1.319) 14.002 3.440 ( 0.277 -2.508 -2.743) 3.727 3.664 ( -4.928 0.932 -1.264) 5.172 4.203 ( 0.836 1.033 1.510) 2.011 4.669 ( 1.052 1.921 -1.352) 2.573 4.906 ( 1.854 5.128 1.647) 5.696 5.507 ( -0.189 3.590 -2.256) 4.245 6.204 ( -0.238 4.439 -0.796) 4.516 6.245 ( -0.114 5.843 -1.529) 6.041 6.916 ( -0.145 1.238 0.073) 1.248 6.979 ( -0.151 0.791 0.517) 0.957 7.135 ( 2.144 1.675 0.229) 2.731 7.172 ( 1.729 6.160 2.310) 6.802 7.246 ( -1.443 -0.485 -1.201) 1.939 7.332 ( 1.810 6.849 -0.536) 7.104 7.345 ( -0.171 1.172 -0.296) 1.221 7.430 ( -1.268 2.627 0.879) 3.046 7.476 ( 0.960 2.423 0.728) 2.706 7.655 ( 0.814 1.174 0.894) 1.685 7.674 ( -1.292 5.235 0.133) 5.393 7.735 ( -2.171 4.795 -2.549) 5.848 7.975 ( -0.284 4.732 -0.179) 4.744 8.476 ( 1.677 2.101 0.744) 2.790 8.668 ( -1.426 3.640 -1.640) 4.239 ======================= Grid point 498 (229/231) ======================= q-point: (-0.15 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -12.089 0.000 8.995) 15.068 0.882 ( -12.147 0.000 13.461) 18.131 1.240 ( -4.105 0.000 5.423) 6.801 1.523 ( -7.154 0.000 3.607) 8.012 1.531 ( -8.924 0.000 -11.466) 14.530 1.952 ( -8.194 0.000 -0.862) 8.239 2.067 ( 1.929 -0.000 1.421) 2.396 2.185 ( 7.241 -0.000 4.842) 8.711 2.242 ( -2.282 0.000 3.677) 4.328 2.282 ( -0.592 0.000 -1.933) 2.022 2.450 ( -1.969 0.000 0.092) 1.971 2.703 ( -4.795 0.000 -4.075) 6.293 2.730 ( 0.685 -0.000 -0.931) 1.156 3.386 ( -2.016 0.000 -3.197) 3.779 3.718 ( -1.587 0.000 -2.359) 2.843 4.255 ( 2.961 -0.000 2.240) 3.713 4.724 ( 1.177 -0.000 -1.982) 2.305 5.032 ( 2.902 -0.000 3.121) 4.262 5.586 ( 0.078 -0.000 -2.010) 2.012 6.304 ( -1.245 0.000 -1.249) 1.763 6.381 ( -0.671 0.000 -3.676) 3.736 6.919 ( 0.553 -0.000 0.457) 0.717 6.974 ( -1.251 0.000 0.203) 1.267 7.140 ( -0.090 0.000 0.529) 0.537 7.214 ( -1.639 0.000 -0.786) 1.818 7.332 ( 3.137 -0.000 4.505) 5.489 7.340 ( -0.830 0.000 0.449) 0.943 7.404 ( -2.417 0.000 0.388) 2.448 7.464 ( 0.724 -0.000 1.137) 1.348 7.588 ( 1.316 -0.000 0.348) 1.361 7.723 ( -0.128 0.000 -0.605) 0.618 7.803 ( -0.878 0.000 -0.375) 0.955 7.839 ( -3.418 0.000 -2.511) 4.241 8.109 ( -0.581 0.000 0.576) 0.818 8.541 ( 2.465 -0.000 1.082) 2.692 8.757 ( -1.253 0.000 -1.954) 2.321 ======================= Grid point 499 (230/231) ======================= q-point: (-0.08 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.975 -13.709 11.095) 17.663 1.105 ( -9.014 -17.859 6.151) 20.929 1.378 ( -9.327 -11.168 -7.021) 16.156 1.458 ( -0.803 -13.012 6.091) 14.390 1.744 ( -3.390 -13.231 -3.424) 14.081 1.971 ( -2.805 -7.427 3.814) 8.808 2.158 ( 3.710 -5.137 2.181) 6.701 2.280 ( 0.977 -11.206 2.773) 11.585 2.363 ( 0.760 -9.406 3.885) 10.205 2.477 ( -1.942 -16.390 -0.819) 16.525 2.549 ( -2.184 -10.636 -0.180) 10.859 2.662 ( -8.530 -0.339 -5.578) 10.197 2.802 ( 1.985 -6.547 -2.441) 7.264 3.393 ( -0.820 -1.762 -0.371) 1.978 3.685 ( -2.184 2.173 -3.204) 4.445 4.251 ( 2.152 1.894 2.061) 3.531 4.711 ( 0.760 1.580 -1.694) 2.438 5.011 ( 2.353 3.557 2.630) 5.011 5.563 ( 0.020 2.111 -2.118) 2.991 6.272 ( -0.697 2.541 -0.850) 2.769 6.338 ( -0.732 3.545 -2.933) 4.658 6.925 ( 0.442 -0.100 0.383) 0.594 6.975 ( -0.940 -0.541 0.148) 1.095 7.148 ( 0.793 -0.507 0.492) 1.062 7.216 ( -1.632 -0.994 -1.105) 2.208 7.291 ( 2.695 4.096 3.442) 5.991 7.349 ( 0.082 -0.214 0.103) 0.251 7.427 ( -1.116 -1.046 0.721) 1.691 7.446 ( 0.730 2.180 0.491) 2.351 7.553 ( 2.009 3.766 1.389) 4.488 7.692 ( -0.482 2.293 -0.525) 2.401 7.765 ( -0.600 3.524 0.398) 3.597 7.793 ( -2.932 2.501 -3.027) 4.900 8.065 ( -0.470 3.875 0.241) 3.910 8.532 ( 2.194 2.030 1.129) 3.196 8.723 ( -1.349 2.470 -2.130) 3.530 ======================= Grid point 512 (231/231) ======================= q-point: (-0.08 -0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -1.226 0.000 12.500) 12.560 0.816 ( -4.497 0.000 16.147) 16.762 1.168 ( -8.954 0.000 -8.623) 12.431 1.429 ( -6.913 0.000 -12.711) 14.469 1.521 ( 3.161 -0.000 18.897) 19.160 1.872 ( -6.580 0.000 -1.031) 6.660 2.081 ( 0.387 -0.000 1.040) 1.109 2.228 ( -1.164 0.000 3.389) 3.583 2.261 ( 6.061 -0.000 3.249) 6.876 2.280 ( 0.594 -0.000 -1.707) 1.808 2.433 ( -1.308 0.000 0.056) 1.309 2.604 ( -10.242 0.000 -7.014) 12.413 2.758 ( 2.647 -0.000 -2.121) 3.392 3.372 ( 0.092 -0.000 1.903) 1.906 3.697 ( -1.907 0.000 -4.082) 4.505 4.284 ( 2.007 -0.000 1.953) 2.800 4.729 ( 0.322 -0.000 -1.705) 1.735 5.062 ( 2.083 -0.000 2.673) 3.389 5.584 ( 0.454 -0.000 -2.099) 2.148 6.295 ( -0.342 0.000 -0.505) 0.610 6.368 ( -0.990 0.000 -3.687) 3.818 6.926 ( 0.652 -0.000 0.514) 0.831 6.962 ( -1.143 0.000 0.109) 1.148 7.144 ( 0.603 -0.000 0.715) 0.935 7.195 ( -1.677 0.000 -1.024) 1.965 7.339 ( 0.435 -0.000 0.605) 0.745 7.376 ( 3.767 -0.000 4.573) 5.925 7.382 ( -1.985 0.000 0.262) 2.002 7.476 ( 1.342 -0.000 0.942) 1.639 7.605 ( 1.815 -0.000 0.594) 1.910 7.713 ( -1.146 0.000 -0.824) 1.412 7.800 ( -3.245 0.000 -2.697) 4.220 7.801 ( 0.289 -0.000 -0.023) 0.289 8.105 ( -0.294 0.000 0.377) 0.478 8.567 ( 2.081 -0.000 1.224) 2.415 8.740 ( -1.299 0.000 -2.380) 2.711 =================== 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 3/30420 10.0 459.844 250.795 182.394 -0.000 166.695 -0.000 3/30420 20.0 81.316 113.276 57.300 -0.000 34.081 -0.000 3/30420 30.0 41.081 78.937 34.008 -0.000 18.855 -0.000 3/30420 40.0 28.138 63.551 24.716 -0.000 13.370 -0.000 3/30420 50.0 21.645 53.511 19.481 -0.000 10.380 -0.000 3/30420 60.0 17.611 45.947 16.020 -0.000 8.443 -0.000 3/30420 70.0 14.825 40.030 13.553 -0.000 7.082 -0.000 3/30420 80.0 12.785 35.336 11.716 -0.000 6.082 -0.000 3/30420 90.0 11.230 31.566 10.304 -0.000 5.321 -0.000 3/30420 100.0 10.009 28.496 9.191 -0.000 4.726 -0.000 3/30420 110.0 9.028 25.961 8.293 -0.000 4.250 -0.000 3/30420 120.0 8.223 23.838 7.556 -0.000 3.861 -0.000 3/30420 130.0 7.552 22.038 6.940 -0.000 3.538 -0.000 3/30420 140.0 6.983 20.493 6.418 -0.000 3.266 -0.000 3/30420 150.0 6.496 19.154 5.970 -0.000 3.033 -0.000 3/30420 160.0 6.073 17.983 5.582 -0.000 2.832 -0.000 3/30420 170.0 5.703 16.949 5.242 -0.000 2.656 -0.000 3/30420 180.0 5.376 16.030 4.942 -0.000 2.501 -0.000 3/30420 190.0 5.085 15.207 4.675 -0.000 2.364 -0.000 3/30420 200.0 4.825 14.467 4.437 -0.000 2.241 -0.000 3/30420 210.0 4.591 13.796 4.221 -0.000 2.131 -0.000 3/30420 220.0 4.379 13.187 4.026 -0.000 2.031 -0.000 3/30420 230.0 4.186 12.629 3.849 -0.000 1.941 -0.000 3/30420 240.0 4.009 12.118 3.687 -0.000 1.858 -0.000 3/30420 250.0 3.847 11.648 3.538 -0.000 1.782 -0.000 3/30420 260.0 3.698 11.213 3.401 -0.000 1.713 -0.000 3/30420 270.0 3.560 10.810 3.274 -0.000 1.648 -0.000 3/30420 280.0 3.432 10.435 3.157 -0.000 1.588 -0.000 3/30420 290.0 3.313 10.086 3.048 -0.000 1.533 -0.000 3/30420 300.0 3.202 9.760 2.946 -0.000 1.481 -0.000 3/30420 310.0 3.099 9.455 2.851 -0.000 1.433 -0.000 3/30420 320.0 3.002 9.168 2.762 -0.000 1.388 -0.000 3/30420 330.0 2.911 8.898 2.678 -0.000 1.346 -0.000 3/30420 340.0 2.825 8.644 2.600 -0.000 1.306 -0.000 3/30420 350.0 2.745 8.405 2.526 -0.000 1.268 -0.000 3/30420 360.0 2.669 8.178 2.456 -0.000 1.233 -0.000 3/30420 370.0 2.597 7.964 2.390 -0.000 1.200 -0.000 3/30420 380.0 2.529 7.760 2.327 -0.000 1.168 -0.000 3/30420 390.0 2.464 7.567 2.268 -0.000 1.138 -0.000 3/30420 400.0 2.403 7.383 2.211 -0.000 1.110 -0.000 3/30420 410.0 2.344 7.208 2.158 -0.000 1.083 -0.000 3/30420 420.0 2.289 7.041 2.107 -0.000 1.057 -0.000 3/30420 430.0 2.236 6.882 2.058 -0.000 1.032 -0.000 3/30420 440.0 2.185 6.730 2.011 -0.000 1.009 -0.000 3/30420 450.0 2.137 6.585 1.967 -0.000 0.986 -0.000 3/30420 460.0 2.091 6.446 1.925 -0.000 0.965 -0.000 3/30420 470.0 2.046 6.312 1.884 -0.000 0.944 -0.000 3/30420 480.0 2.004 6.184 1.845 -0.000 0.925 -0.000 3/30420 490.0 1.963 6.061 1.808 -0.000 0.906 -0.000 3/30420 500.0 1.924 5.943 1.772 -0.000 0.888 -0.000 3/30420 510.0 1.887 5.830 1.737 -0.000 0.871 -0.000 3/30420 520.0 1.851 5.721 1.704 -0.000 0.854 -0.000 3/30420 530.0 1.816 5.615 1.672 -0.000 0.838 -0.000 3/30420 540.0 1.783 5.514 1.641 -0.000 0.822 -0.000 3/30420 550.0 1.750 5.416 1.612 -0.000 0.808 -0.000 3/30420 560.0 1.719 5.322 1.583 -0.000 0.793 -0.000 3/30420 570.0 1.689 5.231 1.556 -0.000 0.779 -0.000 3/30420 580.0 1.660 5.143 1.529 -0.000 0.766 -0.000 3/30420 590.0 1.632 5.058 1.503 -0.000 0.753 -0.000 3/30420 600.0 1.605 4.976 1.479 -0.000 0.741 -0.000 3/30420 610.0 1.579 4.896 1.455 -0.000 0.728 -0.000 3/30420 620.0 1.554 4.819 1.431 -0.000 0.717 -0.000 3/30420 630.0 1.530 4.744 1.409 -0.000 0.705 -0.000 3/30420 640.0 1.506 4.672 1.387 -0.000 0.694 -0.000 3/30420 650.0 1.483 4.602 1.366 -0.000 0.684 -0.000 3/30420 660.0 1.460 4.534 1.345 -0.000 0.674 -0.000 3/30420 670.0 1.439 4.467 1.325 -0.000 0.664 -0.000 3/30420 680.0 1.418 4.403 1.306 -0.000 0.654 -0.000 3/30420 690.0 1.397 4.341 1.287 -0.000 0.644 -0.000 3/30420 700.0 1.378 4.280 1.269 -0.000 0.635 -0.000 3/30420 710.0 1.358 4.221 1.251 -0.000 0.626 -0.000 3/30420 720.0 1.340 4.164 1.234 -0.000 0.618 -0.000 3/30420 730.0 1.321 4.108 1.217 -0.000 0.609 -0.000 3/30420 740.0 1.304 4.054 1.201 -0.000 0.601 -0.000 3/30420 750.0 1.286 4.001 1.185 -0.000 0.593 -0.000 3/30420 760.0 1.270 3.949 1.170 -0.000 0.585 -0.000 3/30420 770.0 1.253 3.899 1.155 -0.000 0.578 -0.000 3/30420 780.0 1.237 3.850 1.140 -0.000 0.570 -0.000 3/30420 790.0 1.222 3.802 1.126 -0.000 0.563 -0.000 3/30420 800.0 1.207 3.756 1.112 -0.000 0.556 -0.000 3/30420 810.0 1.192 3.710 1.098 -0.000 0.549 -0.000 3/30420 820.0 1.177 3.666 1.085 -0.000 0.543 -0.000 3/30420 830.0 1.163 3.623 1.072 -0.000 0.536 -0.000 3/30420 840.0 1.149 3.580 1.059 -0.000 0.530 -0.000 3/30420 850.0 1.136 3.539 1.047 -0.000 0.524 -0.000 3/30420 860.0 1.123 3.499 1.035 -0.000 0.518 -0.000 3/30420 870.0 1.110 3.459 1.023 -0.000 0.512 -0.000 3/30420 880.0 1.098 3.421 1.011 -0.000 0.506 -0.000 3/30420 890.0 1.085 3.383 1.000 -0.000 0.500 -0.000 3/30420 900.0 1.073 3.346 0.989 -0.000 0.495 -0.000 3/30420 910.0 1.062 3.310 0.978 -0.000 0.489 -0.000 3/30420 920.0 1.050 3.275 0.968 -0.000 0.484 -0.000 3/30420 930.0 1.039 3.240 0.957 -0.000 0.479 -0.000 3/30420 940.0 1.028 3.206 0.947 -0.000 0.474 -0.000 3/30420 950.0 1.017 3.173 0.937 -0.000 0.469 -0.000 3/30420 960.0 1.007 3.141 0.928 -0.000 0.464 -0.000 3/30420 970.0 0.996 3.109 0.918 -0.000 0.459 -0.000 3/30420 980.0 0.986 3.078 0.909 -0.000 0.455 -0.000 3/30420 990.0 0.976 3.047 0.900 -0.000 0.450 -0.000 3/30420 1000.0 0.967 3.017 0.891 -0.000 0.446 -0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:25:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|