----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:15:49]------------------------- 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 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.274145084999999 -3.048793425000000 0.000000000000000 b 5.274145084999999 3.048793425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.818729619999999 Atomic positions (fractional): *1 O 0.41375166057567 0.58624833942433 0.62195445437922 15.999 2 O 0.58624833942433 0.41375166057567 0.12195445437922 15.999 *3 O 0.65861999412898 0.08062674045901 0.51721253851873 15.999 4 O 0.34138000587102 0.91937325954099 0.01721253851873 15.999 5 O 0.91937325954099 0.34138000587102 0.51721253851873 15.999 6 O 0.08062674045901 0.65861999412898 0.01721253851873 15.999 *7 Na 0.32664318956670 0.00391852762769 0.49795253920034 22.990 8 Na 0.99608147237231 0.67335681043330 0.49795253920034 22.990 9 Na 0.67335681043330 0.99608147237231 0.99795253920034 22.990 10 Na 0.00391852762769 0.32664318956670 0.99795253920034 22.990 *11 Si 0.65840742659741 0.34159257340259 0.46111539018267 28.085 12 Si 0.34159257340259 0.65840742659741 0.96111539018267 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.548290169999998 0.000000000000000 0.000000000000000 b 0.000000000000000 6.097586850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.818729619999999 Atomic positions (fractional): *1 O 0.50000000000000 0.08624833942433 0.62195445437922 15.999 > 1 2 O 0.50000000000000 0.91375166057567 0.12195445437922 15.999 > 2 *3 O 0.36962336729399 0.71100337316501 0.51721253851873 15.999 > 3 4 O 0.63037663270601 0.28899662683499 0.01721253851873 15.999 > 4 5 O 0.63037663270601 0.71100337316501 0.51721253851873 15.999 > 5 6 O 0.36962336729399 0.28899662683499 0.01721253851873 15.999 > 6 7 O 0.00000000000000 0.58624833942433 0.62195445437922 15.999 > 1 8 O 0.00000000000000 0.41375166057567 0.12195445437922 15.999 > 2 9 O 0.86962336729399 0.21100337316501 0.51721253851873 15.999 > 3 10 O 0.13037663270601 0.78899662683499 0.01721253851873 15.999 > 4 11 O 0.13037663270601 0.21100337316501 0.51721253851873 15.999 > 5 12 O 0.86962336729399 0.78899662683499 0.01721253851873 15.999 > 6 *13 Na 0.16528085859719 0.83863766903050 0.49795253920034 22.990 > 7 14 Na 0.83471914140281 0.83863766903050 0.49795253920034 22.990 > 8 15 Na 0.83471914140281 0.16136233096950 0.99795253920034 22.990 > 9 16 Na 0.16528085859719 0.16136233096950 0.99795253920034 22.990 > 10 17 Na 0.66528085859719 0.33863766903050 0.49795253920034 22.990 > 7 18 Na 0.33471914140281 0.33863766903050 0.49795253920034 22.990 > 8 19 Na 0.33471914140281 0.66136233096950 0.99795253920034 22.990 > 9 20 Na 0.66528085859719 0.66136233096950 0.99795253920034 22.990 > 10 *21 Si 0.50000000000000 0.84159257340259 0.46111539018267 28.085 > 11 22 Si 0.50000000000000 0.15840742659741 0.96111539018267 28.085 > 12 23 Si 0.00000000000000 0.34159257340259 0.46111539018267 28.085 > 11 24 Si 0.00000000000000 0.65840742659741 0.96111539018267 28.085 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.548290169999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.195173700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.456188859999997 Atomic positions (fractional): *1 O 0.50000000000000 0.04312416971216 0.20731815145974 15.999 > 1 2 O 0.50000000000000 0.54312416971216 0.20731815145974 15.999 > 1 3 O 0.50000000000000 0.04312416971216 0.54065148479307 15.999 > 1 4 O 0.50000000000000 0.54312416971216 0.54065148479307 15.999 > 1 5 O 0.50000000000000 0.04312416971216 0.87398481812641 15.999 > 1 6 O 0.50000000000000 0.54312416971216 0.87398481812641 15.999 > 1 7 O 0.50000000000000 0.45687583028784 0.04065148479307 15.999 > 2 8 O 0.50000000000000 0.95687583028784 0.04065148479307 15.999 > 2 9 O 0.50000000000000 0.45687583028784 0.37398481812641 15.999 > 2 10 O 0.50000000000000 0.95687583028784 0.37398481812641 15.999 > 2 11 O 0.50000000000000 0.45687583028784 0.70731815145974 15.999 > 2 12 O 0.50000000000000 0.95687583028784 0.70731815145974 15.999 > 2 *13 O 0.36962336729399 0.35550168658251 0.17240417950624 15.999 > 3 14 O 0.36962336729399 0.85550168658251 0.17240417950624 15.999 > 3 15 O 0.36962336729399 0.35550168658251 0.50573751283958 15.999 > 3 16 O 0.36962336729399 0.85550168658251 0.50573751283958 15.999 > 3 17 O 0.36962336729399 0.35550168658251 0.83907084617291 15.999 > 3 18 O 0.36962336729399 0.85550168658251 0.83907084617291 15.999 > 3 19 O 0.63037663270601 0.14449831341749 0.00573751283958 15.999 > 4 20 O 0.63037663270601 0.64449831341749 0.00573751283958 15.999 > 4 21 O 0.63037663270601 0.14449831341749 0.33907084617291 15.999 > 4 22 O 0.63037663270601 0.64449831341749 0.33907084617291 15.999 > 4 23 O 0.63037663270601 0.14449831341749 0.67240417950624 15.999 > 4 24 O 0.63037663270601 0.64449831341749 0.67240417950624 15.999 > 4 25 O 0.63037663270601 0.35550168658251 0.17240417950624 15.999 > 5 26 O 0.63037663270601 0.85550168658251 0.17240417950624 15.999 > 5 27 O 0.63037663270601 0.35550168658251 0.50573751283958 15.999 > 5 28 O 0.63037663270601 0.85550168658251 0.50573751283958 15.999 > 5 29 O 0.63037663270601 0.35550168658251 0.83907084617291 15.999 > 5 30 O 0.63037663270601 0.85550168658251 0.83907084617291 15.999 > 5 31 O 0.36962336729399 0.14449831341749 0.00573751283958 15.999 > 6 32 O 0.36962336729399 0.64449831341749 0.00573751283958 15.999 > 6 33 O 0.36962336729399 0.14449831341749 0.33907084617291 15.999 > 6 34 O 0.36962336729399 0.64449831341749 0.33907084617291 15.999 > 6 35 O 0.36962336729399 0.14449831341749 0.67240417950624 15.999 > 6 36 O 0.36962336729399 0.64449831341749 0.67240417950624 15.999 > 6 37 O 0.00000000000000 0.29312416971216 0.20731815145974 15.999 > 1 38 O 0.00000000000000 0.79312416971216 0.20731815145974 15.999 > 1 39 O 0.00000000000000 0.29312416971216 0.54065148479307 15.999 > 1 40 O 0.00000000000000 0.79312416971216 0.54065148479307 15.999 > 1 41 O 0.00000000000000 0.29312416971216 0.87398481812641 15.999 > 1 42 O 0.00000000000000 0.79312416971216 0.87398481812641 15.999 > 1 43 O 0.00000000000000 0.20687583028784 0.04065148479307 15.999 > 2 44 O 0.00000000000000 0.70687583028784 0.04065148479307 15.999 > 2 45 O 0.00000000000000 0.20687583028784 0.37398481812641 15.999 > 2 46 O 0.00000000000000 0.70687583028784 0.37398481812641 15.999 > 2 47 O 0.00000000000000 0.20687583028784 0.70731815145974 15.999 > 2 48 O 0.00000000000000 0.70687583028784 0.70731815145974 15.999 > 2 49 O 0.86962336729399 0.10550168658251 0.17240417950624 15.999 > 3 50 O 0.86962336729399 0.60550168658251 0.17240417950624 15.999 > 3 51 O 0.86962336729399 0.10550168658251 0.50573751283958 15.999 > 3 52 O 0.86962336729399 0.60550168658251 0.50573751283958 15.999 > 3 53 O 0.86962336729399 0.10550168658251 0.83907084617291 15.999 > 3 54 O 0.86962336729399 0.60550168658251 0.83907084617291 15.999 > 3 55 O 0.13037663270601 0.39449831341749 0.00573751283958 15.999 > 4 56 O 0.13037663270601 0.89449831341749 0.00573751283958 15.999 > 4 57 O 0.13037663270601 0.39449831341749 0.33907084617291 15.999 > 4 58 O 0.13037663270601 0.89449831341749 0.33907084617291 15.999 > 4 59 O 0.13037663270601 0.39449831341749 0.67240417950624 15.999 > 4 60 O 0.13037663270601 0.89449831341749 0.67240417950624 15.999 > 4 61 O 0.13037663270601 0.10550168658251 0.17240417950624 15.999 > 5 62 O 0.13037663270601 0.60550168658251 0.17240417950624 15.999 > 5 63 O 0.13037663270601 0.10550168658251 0.50573751283958 15.999 > 5 64 O 0.13037663270601 0.60550168658251 0.50573751283958 15.999 > 5 65 O 0.13037663270601 0.10550168658251 0.83907084617291 15.999 > 5 66 O 0.13037663270601 0.60550168658251 0.83907084617291 15.999 > 5 67 O 0.86962336729399 0.39449831341749 0.00573751283958 15.999 > 6 68 O 0.86962336729399 0.89449831341749 0.00573751283958 15.999 > 6 69 O 0.86962336729399 0.39449831341749 0.33907084617291 15.999 > 6 70 O 0.86962336729399 0.89449831341749 0.33907084617291 15.999 > 6 71 O 0.86962336729399 0.39449831341749 0.67240417950624 15.999 > 6 72 O 0.86962336729399 0.89449831341749 0.67240417950624 15.999 > 6 *73 Na 0.16528085859719 0.41931883451525 0.16598417973345 22.990 > 7 74 Na 0.16528085859719 0.91931883451525 0.16598417973345 22.990 > 7 75 Na 0.16528085859719 0.41931883451525 0.49931751306678 22.990 > 7 76 Na 0.16528085859719 0.91931883451525 0.49931751306678 22.990 > 7 77 Na 0.16528085859719 0.41931883451525 0.83265084640011 22.990 > 7 78 Na 0.16528085859719 0.91931883451525 0.83265084640011 22.990 > 7 79 Na 0.83471914140281 0.41931883451525 0.16598417973345 22.990 > 8 80 Na 0.83471914140281 0.91931883451525 0.16598417973345 22.990 > 8 81 Na 0.83471914140281 0.41931883451525 0.49931751306678 22.990 > 8 82 Na 0.83471914140281 0.91931883451525 0.49931751306678 22.990 > 8 83 Na 0.83471914140281 0.41931883451525 0.83265084640011 22.990 > 8 84 Na 0.83471914140281 0.91931883451525 0.83265084640011 22.990 > 8 85 Na 0.83471914140281 0.08068116548475 0.33265084640011 22.990 > 9 86 Na 0.83471914140281 0.58068116548475 0.33265084640011 22.990 > 9 87 Na 0.83471914140281 0.08068116548475 0.66598417973345 22.990 > 9 88 Na 0.83471914140281 0.58068116548475 0.66598417973345 22.990 > 9 89 Na 0.83471914140281 0.08068116548475 0.99931751306678 22.990 > 9 90 Na 0.83471914140281 0.58068116548475 0.99931751306678 22.990 > 9 91 Na 0.16528085859719 0.08068116548475 0.33265084640011 22.990 > 10 92 Na 0.16528085859719 0.58068116548475 0.33265084640011 22.990 > 10 93 Na 0.16528085859719 0.08068116548475 0.66598417973345 22.990 > 10 94 Na 0.16528085859719 0.58068116548475 0.66598417973345 22.990 > 10 95 Na 0.16528085859719 0.08068116548475 0.99931751306678 22.990 > 10 96 Na 0.16528085859719 0.58068116548475 0.99931751306678 22.990 > 10 97 Na 0.66528085859719 0.16931883451525 0.16598417973345 22.990 > 7 98 Na 0.66528085859719 0.66931883451525 0.16598417973345 22.990 > 7 99 Na 0.66528085859719 0.16931883451525 0.49931751306678 22.990 > 7 100 Na 0.66528085859719 0.66931883451525 0.49931751306678 22.990 > 7 101 Na 0.66528085859719 0.16931883451525 0.83265084640011 22.990 > 7 102 Na 0.66528085859719 0.66931883451525 0.83265084640011 22.990 > 7 103 Na 0.33471914140281 0.16931883451525 0.16598417973345 22.990 > 8 104 Na 0.33471914140281 0.66931883451525 0.16598417973345 22.990 > 8 105 Na 0.33471914140281 0.16931883451525 0.49931751306678 22.990 > 8 106 Na 0.33471914140281 0.66931883451525 0.49931751306678 22.990 > 8 107 Na 0.33471914140281 0.16931883451525 0.83265084640011 22.990 > 8 108 Na 0.33471914140281 0.66931883451525 0.83265084640011 22.990 > 8 109 Na 0.33471914140281 0.33068116548475 0.33265084640011 22.990 > 9 110 Na 0.33471914140281 0.83068116548475 0.33265084640011 22.990 > 9 111 Na 0.33471914140281 0.33068116548475 0.66598417973345 22.990 > 9 112 Na 0.33471914140281 0.83068116548475 0.66598417973345 22.990 > 9 113 Na 0.33471914140281 0.33068116548475 0.99931751306678 22.990 > 9 114 Na 0.33471914140281 0.83068116548475 0.99931751306678 22.990 > 9 115 Na 0.66528085859719 0.33068116548475 0.33265084640011 22.990 > 10 116 Na 0.66528085859719 0.83068116548475 0.33265084640011 22.990 > 10 117 Na 0.66528085859719 0.33068116548475 0.66598417973345 22.990 > 10 118 Na 0.66528085859719 0.83068116548475 0.66598417973345 22.990 > 10 119 Na 0.66528085859719 0.33068116548475 0.99931751306678 22.990 > 10 120 Na 0.66528085859719 0.83068116548475 0.99931751306678 22.990 > 10 *121 Si 0.50000000000000 0.42079628670129 0.15370513006089 28.085 > 11 122 Si 0.50000000000000 0.92079628670129 0.15370513006089 28.085 > 11 123 Si 0.50000000000000 0.42079628670129 0.48703846339422 28.085 > 11 124 Si 0.50000000000000 0.92079628670129 0.48703846339422 28.085 > 11 125 Si 0.50000000000000 0.42079628670129 0.82037179672756 28.085 > 11 126 Si 0.50000000000000 0.92079628670129 0.82037179672756 28.085 > 11 127 Si 0.50000000000000 0.07920371329871 0.32037179672756 28.085 > 12 128 Si 0.50000000000000 0.57920371329871 0.32037179672756 28.085 > 12 129 Si 0.50000000000000 0.07920371329871 0.65370513006089 28.085 > 12 130 Si 0.50000000000000 0.57920371329871 0.65370513006089 28.085 > 12 131 Si 0.50000000000000 0.07920371329871 0.98703846339422 28.085 > 12 132 Si 0.50000000000000 0.57920371329871 0.98703846339422 28.085 > 12 133 Si 0.00000000000000 0.17079628670129 0.15370513006089 28.085 > 11 134 Si 0.00000000000000 0.67079628670129 0.15370513006089 28.085 > 11 135 Si 0.00000000000000 0.17079628670129 0.48703846339422 28.085 > 11 136 Si 0.00000000000000 0.67079628670129 0.48703846339422 28.085 > 11 137 Si 0.00000000000000 0.17079628670129 0.82037179672756 28.085 > 11 138 Si 0.00000000000000 0.67079628670129 0.82037179672756 28.085 > 11 139 Si 0.00000000000000 0.32920371329871 0.32037179672756 28.085 > 12 140 Si 0.00000000000000 0.82920371329871 0.32037179672756 28.085 > 12 141 Si 0.00000000000000 0.32920371329871 0.65370513006089 28.085 > 12 142 Si 0.00000000000000 0.82920371329871 0.65370513006089 28.085 > 12 143 Si 0.00000000000000 0.32920371329871 0.98703846339422 28.085 > 12 144 Si 0.00000000000000 0.82920371329871 0.98703846339422 28.085 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4253303 0.0000000 0.0000000 0.0000000 2.4510780 0.0000000 0.0000000 0.0000000 2.4834001 -------------------------- Born effective charges -------------------------- 1 O -1.0149610 0.0000000 0.0000000 0.0000000 -1.8263086 -0.6404871 0.0000000 -0.7585555 -2.3232270 2 O -1.0149610 0.0000000 0.0000000 0.0000000 -1.8263086 0.6404871 0.0000000 0.7585555 -2.3232270 3 O -1.8206600 -0.2566445 0.0706133 -0.3725273 -1.4972008 0.0899888 0.0916961 0.0220850 -1.3704628 4 O -1.8206600 -0.2566445 -0.0706133 -0.3725273 -1.4972008 -0.0899888 -0.0916961 -0.0220850 -1.3704628 5 O -1.8206600 0.2566445 -0.0706133 0.3725273 -1.4972008 0.0899888 -0.0916961 0.0220850 -1.3704628 6 O -1.8206600 0.2566445 0.0706133 0.3725273 -1.4972008 -0.0899888 0.0916961 -0.0220850 -1.3704628 7 Na 1.0532896 -0.0153626 -0.0051206 0.0623169 1.0244851 -0.0139799 -0.0141749 -0.0153925 1.0371322 8 Na 1.0532896 0.0153626 0.0051206 -0.0623169 1.0244851 -0.0139799 0.0141749 -0.0153925 1.0371322 9 Na 1.0532896 -0.0153626 0.0051206 0.0623169 1.0244851 0.0139799 0.0141749 0.0153925 1.0371322 10 Na 1.0532896 0.0153626 -0.0051206 -0.0623169 1.0244851 0.0139799 -0.0141749 0.0153925 1.0371322 11 Si 2.5497017 0.0000000 0.0000000 0.0000000 2.7717401 -0.2556070 0.0000000 0.1700138 2.9898883 12 Si 2.5497017 0.0000000 0.0000000 0.0000000 2.7717401 0.2556070 0.0000000 -0.1700138 2.9898883 ---------------------------------------------------------------------------- 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: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.421 Solver_block: 200 / 400 - Time: 4.484 Solver_block: 300 / 400 - Time: 4.470 Solver_block: 400 / 400 - Time: 4.469 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.901 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), 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 20:16:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:29]------------------------- 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 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.274145084999999 -3.048793425000000 0.000000000000000 b 5.274145084999999 3.048793425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.818729619999999 Atomic positions (fractional): 1 O 0.41375166057567 0.58624833942433 0.62195445437922 15.999 2 O 0.58624833942433 0.41375166057567 0.12195445437922 15.999 3 O 0.65861999412898 0.08062674045901 0.51721253851873 15.999 4 O 0.34138000587102 0.91937325954099 0.01721253851873 15.999 5 O 0.91937325954099 0.34138000587102 0.51721253851873 15.999 6 O 0.08062674045901 0.65861999412898 0.01721253851873 15.999 7 Na 0.32664318956670 0.00391852762769 0.49795253920034 22.990 8 Na 0.99608147237231 0.67335681043330 0.49795253920034 22.990 9 Na 0.67335681043330 0.99608147237231 0.99795253920034 22.990 10 Na 0.00391852762769 0.32664318956670 0.99795253920034 22.990 11 Si 0.65840742659741 0.34159257340259 0.46111539018267 28.085 12 Si 0.34159257340259 0.65840742659741 0.96111539018267 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.548290169999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.195173700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.456188859999997 Atomic positions (fractional): 1 O 0.50000000000000 0.04312416971216 0.20731815145974 15.999 > 1 2 O 0.50000000000000 0.54312416971216 0.20731815145974 15.999 > 1 3 O 0.50000000000000 0.04312416971216 0.54065148479307 15.999 > 1 4 O 0.50000000000000 0.54312416971216 0.54065148479307 15.999 > 1 5 O 0.50000000000000 0.04312416971216 0.87398481812641 15.999 > 1 6 O 0.50000000000000 0.54312416971216 0.87398481812641 15.999 > 1 7 O 0.50000000000000 0.45687583028784 0.04065148479307 15.999 > 7 8 O 0.50000000000000 0.95687583028784 0.04065148479307 15.999 > 7 9 O 0.50000000000000 0.45687583028784 0.37398481812641 15.999 > 7 10 O 0.50000000000000 0.95687583028784 0.37398481812641 15.999 > 7 11 O 0.50000000000000 0.45687583028784 0.70731815145974 15.999 > 7 12 O 0.50000000000000 0.95687583028784 0.70731815145974 15.999 > 7 13 O 0.36962336729399 0.35550168658251 0.17240417950624 15.999 > 13 14 O 0.36962336729399 0.85550168658251 0.17240417950624 15.999 > 13 15 O 0.36962336729399 0.35550168658251 0.50573751283958 15.999 > 13 16 O 0.36962336729399 0.85550168658251 0.50573751283958 15.999 > 13 17 O 0.36962336729399 0.35550168658251 0.83907084617291 15.999 > 13 18 O 0.36962336729399 0.85550168658251 0.83907084617291 15.999 > 13 19 O 0.63037663270601 0.14449831341749 0.00573751283958 15.999 > 19 20 O 0.63037663270601 0.64449831341749 0.00573751283958 15.999 > 19 21 O 0.63037663270601 0.14449831341749 0.33907084617291 15.999 > 19 22 O 0.63037663270601 0.64449831341749 0.33907084617291 15.999 > 19 23 O 0.63037663270601 0.14449831341749 0.67240417950624 15.999 > 19 24 O 0.63037663270601 0.64449831341749 0.67240417950624 15.999 > 19 25 O 0.63037663270601 0.35550168658251 0.17240417950624 15.999 > 25 26 O 0.63037663270601 0.85550168658251 0.17240417950624 15.999 > 25 27 O 0.63037663270601 0.35550168658251 0.50573751283958 15.999 > 25 28 O 0.63037663270601 0.85550168658251 0.50573751283958 15.999 > 25 29 O 0.63037663270601 0.35550168658251 0.83907084617291 15.999 > 25 30 O 0.63037663270601 0.85550168658251 0.83907084617291 15.999 > 25 31 O 0.36962336729399 0.14449831341749 0.00573751283958 15.999 > 31 32 O 0.36962336729399 0.64449831341749 0.00573751283958 15.999 > 31 33 O 0.36962336729399 0.14449831341749 0.33907084617291 15.999 > 31 34 O 0.36962336729399 0.64449831341749 0.33907084617291 15.999 > 31 35 O 0.36962336729399 0.14449831341749 0.67240417950624 15.999 > 31 36 O 0.36962336729399 0.64449831341749 0.67240417950624 15.999 > 31 37 O 0.00000000000000 0.29312416971216 0.20731815145974 15.999 > 1 38 O 0.00000000000000 0.79312416971216 0.20731815145974 15.999 > 1 39 O 0.00000000000000 0.29312416971216 0.54065148479307 15.999 > 1 40 O 0.00000000000000 0.79312416971216 0.54065148479307 15.999 > 1 41 O 0.00000000000000 0.29312416971216 0.87398481812641 15.999 > 1 42 O 0.00000000000000 0.79312416971216 0.87398481812641 15.999 > 1 43 O 0.00000000000000 0.20687583028784 0.04065148479307 15.999 > 7 44 O 0.00000000000000 0.70687583028784 0.04065148479307 15.999 > 7 45 O 0.00000000000000 0.20687583028784 0.37398481812641 15.999 > 7 46 O 0.00000000000000 0.70687583028784 0.37398481812641 15.999 > 7 47 O 0.00000000000000 0.20687583028784 0.70731815145974 15.999 > 7 48 O 0.00000000000000 0.70687583028784 0.70731815145974 15.999 > 7 49 O 0.86962336729399 0.10550168658251 0.17240417950624 15.999 > 13 50 O 0.86962336729399 0.60550168658251 0.17240417950624 15.999 > 13 51 O 0.86962336729399 0.10550168658251 0.50573751283958 15.999 > 13 52 O 0.86962336729399 0.60550168658251 0.50573751283958 15.999 > 13 53 O 0.86962336729399 0.10550168658251 0.83907084617291 15.999 > 13 54 O 0.86962336729399 0.60550168658251 0.83907084617291 15.999 > 13 55 O 0.13037663270601 0.39449831341749 0.00573751283958 15.999 > 19 56 O 0.13037663270601 0.89449831341749 0.00573751283958 15.999 > 19 57 O 0.13037663270601 0.39449831341749 0.33907084617291 15.999 > 19 58 O 0.13037663270601 0.89449831341749 0.33907084617291 15.999 > 19 59 O 0.13037663270601 0.39449831341749 0.67240417950624 15.999 > 19 60 O 0.13037663270601 0.89449831341749 0.67240417950624 15.999 > 19 61 O 0.13037663270601 0.10550168658251 0.17240417950624 15.999 > 25 62 O 0.13037663270601 0.60550168658251 0.17240417950624 15.999 > 25 63 O 0.13037663270601 0.10550168658251 0.50573751283958 15.999 > 25 64 O 0.13037663270601 0.60550168658251 0.50573751283958 15.999 > 25 65 O 0.13037663270601 0.10550168658251 0.83907084617291 15.999 > 25 66 O 0.13037663270601 0.60550168658251 0.83907084617291 15.999 > 25 67 O 0.86962336729399 0.39449831341749 0.00573751283958 15.999 > 31 68 O 0.86962336729399 0.89449831341749 0.00573751283958 15.999 > 31 69 O 0.86962336729399 0.39449831341749 0.33907084617291 15.999 > 31 70 O 0.86962336729399 0.89449831341749 0.33907084617291 15.999 > 31 71 O 0.86962336729399 0.39449831341749 0.67240417950624 15.999 > 31 72 O 0.86962336729399 0.89449831341749 0.67240417950624 15.999 > 31 73 Na 0.16528085859719 0.41931883451525 0.16598417973345 22.990 > 73 74 Na 0.16528085859719 0.91931883451525 0.16598417973345 22.990 > 73 75 Na 0.16528085859719 0.41931883451525 0.49931751306678 22.990 > 73 76 Na 0.16528085859719 0.91931883451525 0.49931751306678 22.990 > 73 77 Na 0.16528085859719 0.41931883451525 0.83265084640011 22.990 > 73 78 Na 0.16528085859719 0.91931883451525 0.83265084640011 22.990 > 73 79 Na 0.83471914140281 0.41931883451525 0.16598417973345 22.990 > 79 80 Na 0.83471914140281 0.91931883451525 0.16598417973345 22.990 > 79 81 Na 0.83471914140281 0.41931883451525 0.49931751306678 22.990 > 79 82 Na 0.83471914140281 0.91931883451525 0.49931751306678 22.990 > 79 83 Na 0.83471914140281 0.41931883451525 0.83265084640011 22.990 > 79 84 Na 0.83471914140281 0.91931883451525 0.83265084640011 22.990 > 79 85 Na 0.83471914140281 0.08068116548475 0.33265084640011 22.990 > 85 86 Na 0.83471914140281 0.58068116548475 0.33265084640011 22.990 > 85 87 Na 0.83471914140281 0.08068116548475 0.66598417973345 22.990 > 85 88 Na 0.83471914140281 0.58068116548475 0.66598417973345 22.990 > 85 89 Na 0.83471914140281 0.08068116548475 0.99931751306678 22.990 > 85 90 Na 0.83471914140281 0.58068116548475 0.99931751306678 22.990 > 85 91 Na 0.16528085859719 0.08068116548475 0.33265084640011 22.990 > 91 92 Na 0.16528085859719 0.58068116548475 0.33265084640011 22.990 > 91 93 Na 0.16528085859719 0.08068116548475 0.66598417973345 22.990 > 91 94 Na 0.16528085859719 0.58068116548475 0.66598417973345 22.990 > 91 95 Na 0.16528085859719 0.08068116548475 0.99931751306678 22.990 > 91 96 Na 0.16528085859719 0.58068116548475 0.99931751306678 22.990 > 91 97 Na 0.66528085859719 0.16931883451525 0.16598417973345 22.990 > 73 98 Na 0.66528085859719 0.66931883451525 0.16598417973345 22.990 > 73 99 Na 0.66528085859719 0.16931883451525 0.49931751306678 22.990 > 73 100 Na 0.66528085859719 0.66931883451525 0.49931751306678 22.990 > 73 101 Na 0.66528085859719 0.16931883451525 0.83265084640011 22.990 > 73 102 Na 0.66528085859719 0.66931883451525 0.83265084640011 22.990 > 73 103 Na 0.33471914140281 0.16931883451525 0.16598417973345 22.990 > 79 104 Na 0.33471914140281 0.66931883451525 0.16598417973345 22.990 > 79 105 Na 0.33471914140281 0.16931883451525 0.49931751306678 22.990 > 79 106 Na 0.33471914140281 0.66931883451525 0.49931751306678 22.990 > 79 107 Na 0.33471914140281 0.16931883451525 0.83265084640011 22.990 > 79 108 Na 0.33471914140281 0.66931883451525 0.83265084640011 22.990 > 79 109 Na 0.33471914140281 0.33068116548475 0.33265084640011 22.990 > 85 110 Na 0.33471914140281 0.83068116548475 0.33265084640011 22.990 > 85 111 Na 0.33471914140281 0.33068116548475 0.66598417973345 22.990 > 85 112 Na 0.33471914140281 0.83068116548475 0.66598417973345 22.990 > 85 113 Na 0.33471914140281 0.33068116548475 0.99931751306678 22.990 > 85 114 Na 0.33471914140281 0.83068116548475 0.99931751306678 22.990 > 85 115 Na 0.66528085859719 0.33068116548475 0.33265084640011 22.990 > 91 116 Na 0.66528085859719 0.83068116548475 0.33265084640011 22.990 > 91 117 Na 0.66528085859719 0.33068116548475 0.66598417973345 22.990 > 91 118 Na 0.66528085859719 0.83068116548475 0.66598417973345 22.990 > 91 119 Na 0.66528085859719 0.33068116548475 0.99931751306678 22.990 > 91 120 Na 0.66528085859719 0.83068116548475 0.99931751306678 22.990 > 91 121 Si 0.50000000000000 0.42079628670129 0.15370513006089 28.085 > 121 122 Si 0.50000000000000 0.92079628670129 0.15370513006089 28.085 > 121 123 Si 0.50000000000000 0.42079628670129 0.48703846339422 28.085 > 121 124 Si 0.50000000000000 0.92079628670129 0.48703846339422 28.085 > 121 125 Si 0.50000000000000 0.42079628670129 0.82037179672756 28.085 > 121 126 Si 0.50000000000000 0.92079628670129 0.82037179672756 28.085 > 121 127 Si 0.50000000000000 0.07920371329871 0.32037179672756 28.085 > 127 128 Si 0.50000000000000 0.57920371329871 0.32037179672756 28.085 > 127 129 Si 0.50000000000000 0.07920371329871 0.65370513006089 28.085 > 127 130 Si 0.50000000000000 0.57920371329871 0.65370513006089 28.085 > 127 131 Si 0.50000000000000 0.07920371329871 0.98703846339422 28.085 > 127 132 Si 0.50000000000000 0.57920371329871 0.98703846339422 28.085 > 127 133 Si 0.00000000000000 0.17079628670129 0.15370513006089 28.085 > 121 134 Si 0.00000000000000 0.67079628670129 0.15370513006089 28.085 > 121 135 Si 0.00000000000000 0.17079628670129 0.48703846339422 28.085 > 121 136 Si 0.00000000000000 0.67079628670129 0.48703846339422 28.085 > 121 137 Si 0.00000000000000 0.17079628670129 0.82037179672756 28.085 > 121 138 Si 0.00000000000000 0.67079628670129 0.82037179672756 28.085 > 121 139 Si 0.00000000000000 0.32920371329871 0.32037179672756 28.085 > 127 140 Si 0.00000000000000 0.82920371329871 0.32037179672756 28.085 > 127 141 Si 0.00000000000000 0.32920371329871 0.65370513006089 28.085 > 127 142 Si 0.00000000000000 0.82920371329871 0.65370513006089 28.085 > 127 143 Si 0.00000000000000 0.32920371329871 0.98703846339422 28.085 > 127 144 Si 0.00000000000000 0.82920371329871 0.98703846339422 28.085 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4253303 0.0000000 0.0000000 0.0000000 2.4510780 0.0000000 0.0000000 0.0000000 2.4834001 -------------------------- Born effective charges -------------------------- 1 O -1.0149610 0.0000000 0.0000000 0.0000000 -1.8263086 -0.6404871 0.0000000 -0.7585555 -2.3232270 2 O -1.0149610 0.0000000 0.0000000 0.0000000 -1.8263086 0.6404871 0.0000000 0.7585555 -2.3232270 3 O -1.8206600 -0.2566445 0.0706133 -0.3725273 -1.4972008 0.0899888 0.0916961 0.0220850 -1.3704628 4 O -1.8206600 -0.2566445 -0.0706133 -0.3725273 -1.4972008 -0.0899888 -0.0916961 -0.0220850 -1.3704628 5 O -1.8206600 0.2566445 -0.0706133 0.3725273 -1.4972008 0.0899888 -0.0916961 0.0220850 -1.3704628 6 O -1.8206600 0.2566445 0.0706133 0.3725273 -1.4972008 -0.0899888 0.0916961 -0.0220850 -1.3704628 7 Na 1.0532896 -0.0153626 -0.0051206 0.0623169 1.0244851 -0.0139799 -0.0141749 -0.0153925 1.0371322 8 Na 1.0532896 0.0153626 0.0051206 -0.0623169 1.0244851 -0.0139799 0.0141749 -0.0153925 1.0371322 9 Na 1.0532896 -0.0153626 0.0051206 0.0623169 1.0244851 0.0139799 0.0141749 0.0153925 1.0371322 10 Na 1.0532896 0.0153626 -0.0051206 -0.0623169 1.0244851 0.0139799 -0.0141749 0.0153925 1.0371322 11 Si 2.5497017 0.0000000 0.0000000 0.0000000 2.7717401 -0.2556070 0.0000000 0.1700138 2.9898883 12 Si 2.5497017 0.0000000 0.0000000 0.0000000 2.7717401 0.2556070 0.0000000 -0.1700138 2.9898883 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:16:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:53]------------------------- 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 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.274145084999999 -3.048793425000000 0.000000000000000 b 5.274145084999999 3.048793425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.818729619999999 Atomic positions (fractional): 1 O 0.41375166057567 0.58624833942433 0.62195445437922 15.999 2 O 0.58624833942433 0.41375166057567 0.12195445437922 15.999 3 O 0.65861999412898 0.08062674045901 0.51721253851873 15.999 4 O 0.34138000587102 0.91937325954099 0.01721253851873 15.999 5 O 0.91937325954099 0.34138000587102 0.51721253851873 15.999 6 O 0.08062674045901 0.65861999412898 0.01721253851873 15.999 7 Na 0.32664318956670 0.00391852762769 0.49795253920034 22.990 8 Na 0.99608147237231 0.67335681043330 0.49795253920034 22.990 9 Na 0.67335681043330 0.99608147237231 0.99795253920034 22.990 10 Na 0.00391852762769 0.32664318956670 0.99795253920034 22.990 11 Si 0.65840742659741 0.34159257340259 0.46111539018267 28.085 12 Si 0.34159257340259 0.65840742659741 0.96111539018267 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.548290169999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.195173700000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.456188859999997 Atomic positions (fractional): 1 O 0.50000000000000 0.04312416971216 0.20731815145974 15.999 > 1 2 O 0.50000000000000 0.54312416971216 0.20731815145974 15.999 > 1 3 O 0.50000000000000 0.04312416971216 0.54065148479307 15.999 > 1 4 O 0.50000000000000 0.54312416971216 0.54065148479307 15.999 > 1 5 O 0.50000000000000 0.04312416971216 0.87398481812641 15.999 > 1 6 O 0.50000000000000 0.54312416971216 0.87398481812641 15.999 > 1 7 O 0.50000000000000 0.45687583028784 0.04065148479307 15.999 > 7 8 O 0.50000000000000 0.95687583028784 0.04065148479307 15.999 > 7 9 O 0.50000000000000 0.45687583028784 0.37398481812641 15.999 > 7 10 O 0.50000000000000 0.95687583028784 0.37398481812641 15.999 > 7 11 O 0.50000000000000 0.45687583028784 0.70731815145974 15.999 > 7 12 O 0.50000000000000 0.95687583028784 0.70731815145974 15.999 > 7 13 O 0.36962336729399 0.35550168658251 0.17240417950624 15.999 > 13 14 O 0.36962336729399 0.85550168658251 0.17240417950624 15.999 > 13 15 O 0.36962336729399 0.35550168658251 0.50573751283958 15.999 > 13 16 O 0.36962336729399 0.85550168658251 0.50573751283958 15.999 > 13 17 O 0.36962336729399 0.35550168658251 0.83907084617291 15.999 > 13 18 O 0.36962336729399 0.85550168658251 0.83907084617291 15.999 > 13 19 O 0.63037663270601 0.14449831341749 0.00573751283958 15.999 > 19 20 O 0.63037663270601 0.64449831341749 0.00573751283958 15.999 > 19 21 O 0.63037663270601 0.14449831341749 0.33907084617291 15.999 > 19 22 O 0.63037663270601 0.64449831341749 0.33907084617291 15.999 > 19 23 O 0.63037663270601 0.14449831341749 0.67240417950624 15.999 > 19 24 O 0.63037663270601 0.64449831341749 0.67240417950624 15.999 > 19 25 O 0.63037663270601 0.35550168658251 0.17240417950624 15.999 > 25 26 O 0.63037663270601 0.85550168658251 0.17240417950624 15.999 > 25 27 O 0.63037663270601 0.35550168658251 0.50573751283958 15.999 > 25 28 O 0.63037663270601 0.85550168658251 0.50573751283958 15.999 > 25 29 O 0.63037663270601 0.35550168658251 0.83907084617291 15.999 > 25 30 O 0.63037663270601 0.85550168658251 0.83907084617291 15.999 > 25 31 O 0.36962336729399 0.14449831341749 0.00573751283958 15.999 > 31 32 O 0.36962336729399 0.64449831341749 0.00573751283958 15.999 > 31 33 O 0.36962336729399 0.14449831341749 0.33907084617291 15.999 > 31 34 O 0.36962336729399 0.64449831341749 0.33907084617291 15.999 > 31 35 O 0.36962336729399 0.14449831341749 0.67240417950624 15.999 > 31 36 O 0.36962336729399 0.64449831341749 0.67240417950624 15.999 > 31 37 O 0.00000000000000 0.29312416971216 0.20731815145974 15.999 > 1 38 O 0.00000000000000 0.79312416971216 0.20731815145974 15.999 > 1 39 O 0.00000000000000 0.29312416971216 0.54065148479307 15.999 > 1 40 O 0.00000000000000 0.79312416971216 0.54065148479307 15.999 > 1 41 O 0.00000000000000 0.29312416971216 0.87398481812641 15.999 > 1 42 O 0.00000000000000 0.79312416971216 0.87398481812641 15.999 > 1 43 O 0.00000000000000 0.20687583028784 0.04065148479307 15.999 > 7 44 O 0.00000000000000 0.70687583028784 0.04065148479307 15.999 > 7 45 O 0.00000000000000 0.20687583028784 0.37398481812641 15.999 > 7 46 O 0.00000000000000 0.70687583028784 0.37398481812641 15.999 > 7 47 O 0.00000000000000 0.20687583028784 0.70731815145974 15.999 > 7 48 O 0.00000000000000 0.70687583028784 0.70731815145974 15.999 > 7 49 O 0.86962336729399 0.10550168658251 0.17240417950624 15.999 > 13 50 O 0.86962336729399 0.60550168658251 0.17240417950624 15.999 > 13 51 O 0.86962336729399 0.10550168658251 0.50573751283958 15.999 > 13 52 O 0.86962336729399 0.60550168658251 0.50573751283958 15.999 > 13 53 O 0.86962336729399 0.10550168658251 0.83907084617291 15.999 > 13 54 O 0.86962336729399 0.60550168658251 0.83907084617291 15.999 > 13 55 O 0.13037663270601 0.39449831341749 0.00573751283958 15.999 > 19 56 O 0.13037663270601 0.89449831341749 0.00573751283958 15.999 > 19 57 O 0.13037663270601 0.39449831341749 0.33907084617291 15.999 > 19 58 O 0.13037663270601 0.89449831341749 0.33907084617291 15.999 > 19 59 O 0.13037663270601 0.39449831341749 0.67240417950624 15.999 > 19 60 O 0.13037663270601 0.89449831341749 0.67240417950624 15.999 > 19 61 O 0.13037663270601 0.10550168658251 0.17240417950624 15.999 > 25 62 O 0.13037663270601 0.60550168658251 0.17240417950624 15.999 > 25 63 O 0.13037663270601 0.10550168658251 0.50573751283958 15.999 > 25 64 O 0.13037663270601 0.60550168658251 0.50573751283958 15.999 > 25 65 O 0.13037663270601 0.10550168658251 0.83907084617291 15.999 > 25 66 O 0.13037663270601 0.60550168658251 0.83907084617291 15.999 > 25 67 O 0.86962336729399 0.39449831341749 0.00573751283958 15.999 > 31 68 O 0.86962336729399 0.89449831341749 0.00573751283958 15.999 > 31 69 O 0.86962336729399 0.39449831341749 0.33907084617291 15.999 > 31 70 O 0.86962336729399 0.89449831341749 0.33907084617291 15.999 > 31 71 O 0.86962336729399 0.39449831341749 0.67240417950624 15.999 > 31 72 O 0.86962336729399 0.89449831341749 0.67240417950624 15.999 > 31 73 Na 0.16528085859719 0.41931883451525 0.16598417973345 22.990 > 73 74 Na 0.16528085859719 0.91931883451525 0.16598417973345 22.990 > 73 75 Na 0.16528085859719 0.41931883451525 0.49931751306678 22.990 > 73 76 Na 0.16528085859719 0.91931883451525 0.49931751306678 22.990 > 73 77 Na 0.16528085859719 0.41931883451525 0.83265084640011 22.990 > 73 78 Na 0.16528085859719 0.91931883451525 0.83265084640011 22.990 > 73 79 Na 0.83471914140281 0.41931883451525 0.16598417973345 22.990 > 79 80 Na 0.83471914140281 0.91931883451525 0.16598417973345 22.990 > 79 81 Na 0.83471914140281 0.41931883451525 0.49931751306678 22.990 > 79 82 Na 0.83471914140281 0.91931883451525 0.49931751306678 22.990 > 79 83 Na 0.83471914140281 0.41931883451525 0.83265084640011 22.990 > 79 84 Na 0.83471914140281 0.91931883451525 0.83265084640011 22.990 > 79 85 Na 0.83471914140281 0.08068116548475 0.33265084640011 22.990 > 85 86 Na 0.83471914140281 0.58068116548475 0.33265084640011 22.990 > 85 87 Na 0.83471914140281 0.08068116548475 0.66598417973345 22.990 > 85 88 Na 0.83471914140281 0.58068116548475 0.66598417973345 22.990 > 85 89 Na 0.83471914140281 0.08068116548475 0.99931751306678 22.990 > 85 90 Na 0.83471914140281 0.58068116548475 0.99931751306678 22.990 > 85 91 Na 0.16528085859719 0.08068116548475 0.33265084640011 22.990 > 91 92 Na 0.16528085859719 0.58068116548475 0.33265084640011 22.990 > 91 93 Na 0.16528085859719 0.08068116548475 0.66598417973345 22.990 > 91 94 Na 0.16528085859719 0.58068116548475 0.66598417973345 22.990 > 91 95 Na 0.16528085859719 0.08068116548475 0.99931751306678 22.990 > 91 96 Na 0.16528085859719 0.58068116548475 0.99931751306678 22.990 > 91 97 Na 0.66528085859719 0.16931883451525 0.16598417973345 22.990 > 73 98 Na 0.66528085859719 0.66931883451525 0.16598417973345 22.990 > 73 99 Na 0.66528085859719 0.16931883451525 0.49931751306678 22.990 > 73 100 Na 0.66528085859719 0.66931883451525 0.49931751306678 22.990 > 73 101 Na 0.66528085859719 0.16931883451525 0.83265084640011 22.990 > 73 102 Na 0.66528085859719 0.66931883451525 0.83265084640011 22.990 > 73 103 Na 0.33471914140281 0.16931883451525 0.16598417973345 22.990 > 79 104 Na 0.33471914140281 0.66931883451525 0.16598417973345 22.990 > 79 105 Na 0.33471914140281 0.16931883451525 0.49931751306678 22.990 > 79 106 Na 0.33471914140281 0.66931883451525 0.49931751306678 22.990 > 79 107 Na 0.33471914140281 0.16931883451525 0.83265084640011 22.990 > 79 108 Na 0.33471914140281 0.66931883451525 0.83265084640011 22.990 > 79 109 Na 0.33471914140281 0.33068116548475 0.33265084640011 22.990 > 85 110 Na 0.33471914140281 0.83068116548475 0.33265084640011 22.990 > 85 111 Na 0.33471914140281 0.33068116548475 0.66598417973345 22.990 > 85 112 Na 0.33471914140281 0.83068116548475 0.66598417973345 22.990 > 85 113 Na 0.33471914140281 0.33068116548475 0.99931751306678 22.990 > 85 114 Na 0.33471914140281 0.83068116548475 0.99931751306678 22.990 > 85 115 Na 0.66528085859719 0.33068116548475 0.33265084640011 22.990 > 91 116 Na 0.66528085859719 0.83068116548475 0.33265084640011 22.990 > 91 117 Na 0.66528085859719 0.33068116548475 0.66598417973345 22.990 > 91 118 Na 0.66528085859719 0.83068116548475 0.66598417973345 22.990 > 91 119 Na 0.66528085859719 0.33068116548475 0.99931751306678 22.990 > 91 120 Na 0.66528085859719 0.83068116548475 0.99931751306678 22.990 > 91 121 Si 0.50000000000000 0.42079628670129 0.15370513006089 28.085 > 121 122 Si 0.50000000000000 0.92079628670129 0.15370513006089 28.085 > 121 123 Si 0.50000000000000 0.42079628670129 0.48703846339422 28.085 > 121 124 Si 0.50000000000000 0.92079628670129 0.48703846339422 28.085 > 121 125 Si 0.50000000000000 0.42079628670129 0.82037179672756 28.085 > 121 126 Si 0.50000000000000 0.92079628670129 0.82037179672756 28.085 > 121 127 Si 0.50000000000000 0.07920371329871 0.32037179672756 28.085 > 127 128 Si 0.50000000000000 0.57920371329871 0.32037179672756 28.085 > 127 129 Si 0.50000000000000 0.07920371329871 0.65370513006089 28.085 > 127 130 Si 0.50000000000000 0.57920371329871 0.65370513006089 28.085 > 127 131 Si 0.50000000000000 0.07920371329871 0.98703846339422 28.085 > 127 132 Si 0.50000000000000 0.57920371329871 0.98703846339422 28.085 > 127 133 Si 0.00000000000000 0.17079628670129 0.15370513006089 28.085 > 121 134 Si 0.00000000000000 0.67079628670129 0.15370513006089 28.085 > 121 135 Si 0.00000000000000 0.17079628670129 0.48703846339422 28.085 > 121 136 Si 0.00000000000000 0.67079628670129 0.48703846339422 28.085 > 121 137 Si 0.00000000000000 0.17079628670129 0.82037179672756 28.085 > 121 138 Si 0.00000000000000 0.67079628670129 0.82037179672756 28.085 > 121 139 Si 0.00000000000000 0.32920371329871 0.32037179672756 28.085 > 127 140 Si 0.00000000000000 0.82920371329871 0.32037179672756 28.085 > 127 141 Si 0.00000000000000 0.32920371329871 0.65370513006089 28.085 > 127 142 Si 0.00000000000000 0.82920371329871 0.65370513006089 28.085 > 127 143 Si 0.00000000000000 0.32920371329871 0.98703846339422 28.085 > 127 144 Si 0.00000000000000 0.82920371329871 0.98703846339422 28.085 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4253303 0.0000000 0.0000000 0.0000000 2.4510780 0.0000000 0.0000000 0.0000000 2.4834001 -------------------------- Born effective charges -------------------------- 1 O -1.0149610 0.0000000 0.0000000 0.0000000 -1.8263086 -0.6404871 0.0000000 -0.7585555 -2.3232270 2 O -1.0149610 0.0000000 0.0000000 0.0000000 -1.8263086 0.6404871 0.0000000 0.7585555 -2.3232270 3 O -1.8206600 -0.2566445 0.0706133 -0.3725273 -1.4972008 0.0899888 0.0916961 0.0220850 -1.3704628 4 O -1.8206600 -0.2566445 -0.0706133 -0.3725273 -1.4972008 -0.0899888 -0.0916961 -0.0220850 -1.3704628 5 O -1.8206600 0.2566445 -0.0706133 0.3725273 -1.4972008 0.0899888 -0.0916961 0.0220850 -1.3704628 6 O -1.8206600 0.2566445 0.0706133 0.3725273 -1.4972008 -0.0899888 0.0916961 -0.0220850 -1.3704628 7 Na 1.0532896 -0.0153626 -0.0051206 0.0623169 1.0244851 -0.0139799 -0.0141749 -0.0153925 1.0371322 8 Na 1.0532896 0.0153626 0.0051206 -0.0623169 1.0244851 -0.0139799 0.0141749 -0.0153925 1.0371322 9 Na 1.0532896 -0.0153626 0.0051206 0.0623169 1.0244851 0.0139799 0.0141749 0.0153925 1.0371322 10 Na 1.0532896 0.0153626 -0.0051206 -0.0623169 1.0244851 0.0139799 -0.0141749 0.0153925 1.0371322 11 Si 2.5497017 0.0000000 0.0000000 0.0000000 2.7717401 -0.2556070 0.0000000 0.1700138 2.9898883 12 Si 2.5497017 0.0000000 0.0000000 0.0000000 2.7717401 0.2556070 0.0000000 -0.1700138 2.9898883 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 ... [ 9 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.77, Number of G-points: 283, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 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 4.064 ( 0.000 0.000 -0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 -0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 -0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 -0.000) 0.000 7.002 ( 0.000 0.000 -0.000) 0.000 7.057 ( 0.000 0.000 -0.000) 0.000 7.078 ( 0.000 0.000 -0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 -0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 11.032 ( 0.000 0.000 0.000) 0.000 11.321 ( 0.000 0.000 -0.000) 0.000 11.831 ( 0.000 0.000 -0.000) 0.000 11.925 ( 0.000 0.000 -0.000) 0.000 14.235 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 15.353 ( 0.000 0.000 -0.000) 0.000 16.864 ( 0.000 0.000 0.000) 0.000 20.766 ( 0.000 0.000 0.000) 0.000 25.669 ( 0.000 0.000 0.000) 0.000 26.052 ( 0.000 0.000 0.000) 0.000 27.967 ( 0.000 0.000 0.000) 0.000 28.309 ( 0.000 0.000 -0.000) 0.000 29.888 ( 0.000 0.000 -0.000) 0.000 29.920 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 30.427 -22.344 0.000) 37.750 0.913 ( 15.972 -40.300 0.000) 43.349 1.281 ( 26.426 -53.911 0.000) 60.040 4.066 ( 4.145 3.218 0.000) 5.247 4.872 ( -7.769 35.480 0.000) 36.321 4.980 ( -0.996 -7.237 0.000) 7.305 5.312 ( -1.125 7.088 0.000) 7.177 5.591 ( -25.283 5.303 0.000) 25.834 5.772 ( -5.013 2.918 0.000) 5.801 5.919 ( 7.557 -5.622 0.000) 9.419 6.089 ( 9.790 -1.000 0.000) 9.841 6.451 ( 1.042 -10.179 0.000) 10.232 6.666 ( -14.799 10.071 0.000) 17.901 6.895 ( -3.160 0.793 0.000) 3.258 7.123 ( 8.081 0.487 0.000) 8.095 7.253 ( -3.381 -3.584 0.000) 4.927 7.682 ( -7.123 -16.888 0.000) 18.328 7.858 ( 1.024 0.201 0.000) 1.043 8.486 ( 16.428 11.765 0.000) 20.207 8.641 ( -4.324 3.564 0.000) 5.603 8.854 ( 23.206 16.425 0.000) 28.430 11.039 ( 1.440 -0.025 0.000) 1.440 11.362 ( -1.861 -5.192 0.000) 5.515 11.824 ( 1.175 1.456 0.000) 1.871 12.558 ( -19.282 -11.613 0.000) 22.509 14.224 ( -2.640 -0.480 0.000) 2.683 14.938 ( 8.476 2.838 0.000) 8.939 15.631 ( -6.319 -4.589 0.000) 7.810 16.853 ( -0.376 1.017 0.000) 1.085 20.960 ( -8.124 -4.508 0.000) 9.291 25.669 ( -0.088 -0.060 0.000) 0.107 26.374 ( -13.054 -6.337 0.000) 14.511 28.331 ( 1.100 -1.563 0.000) 1.911 28.931 ( -72.117 -43.602 0.000) 84.273 29.929 ( -2.070 -5.567 0.000) 5.939 31.146 ( 77.419 49.762 0.000) 92.032 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 27.744 -18.746 0.000) 33.483 1.792 ( 14.814 -37.933 0.000) 40.723 2.494 ( 20.977 -50.355 0.000) 54.550 3.875 ( -7.101 27.808 0.000) 28.701 4.205 ( 3.781 20.391 0.000) 20.739 5.002 ( -21.791 14.960 0.000) 26.432 5.099 ( -3.872 -5.082 0.000) 6.389 5.364 ( -11.445 -4.833 0.000) 12.424 5.633 ( -2.273 6.602 0.000) 6.982 6.030 ( 7.421 8.446 0.000) 11.243 6.159 ( 10.176 -4.333 0.000) 11.061 6.339 ( -9.369 9.317 0.000) 13.213 6.669 ( -0.102 -10.084 0.000) 10.084 6.871 ( -0.889 0.205 0.000) 0.912 7.186 ( 2.299 -1.181 0.000) 2.584 7.286 ( -1.757 -0.846 0.000) 1.950 7.748 ( 3.911 3.297 0.000) 5.116 7.972 ( 0.162 -7.801 0.000) 7.803 8.350 ( 8.593 15.504 0.000) 17.726 8.534 ( -7.338 2.766 0.000) 7.842 8.815 ( 3.387 2.436 0.000) 4.172 11.062 ( 2.301 -0.219 0.000) 2.312 11.451 ( -2.831 -6.647 0.000) 7.225 11.800 ( 1.230 2.544 0.000) 2.826 12.568 ( -5.780 -4.047 0.000) 7.056 14.203 ( -3.703 -1.037 0.000) 3.845 14.988 ( 4.110 -0.865 0.000) 4.200 15.653 ( -1.564 -2.325 0.000) 2.802 16.821 ( -0.652 1.703 0.000) 1.824 20.955 ( -3.487 -1.713 0.000) 3.885 25.670 ( -0.125 -0.098 0.000) 0.159 26.349 ( -6.589 -2.407 0.000) 7.015 28.380 ( 1.495 -2.064 0.000) 2.549 28.978 ( -29.840 -20.307 0.000) 36.094 30.039 ( -4.589 -10.046 0.000) 11.045 31.020 ( 36.209 29.481 0.000) 46.693 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 12.118 -1.159 0.000) 12.174 2.581 ( 12.132 -31.773 0.000) 34.011 3.094 ( -1.519 14.450 0.000) 14.530 3.656 ( 14.800 -32.837 0.000) 36.018 4.071 ( 6.948 6.933 0.000) 9.815 4.465 ( -23.478 14.633 0.000) 27.665 4.963 ( -10.894 10.839 0.000) 15.368 5.363 ( -10.570 -1.586 0.000) 10.688 5.543 ( 8.628 4.637 0.000) 9.795 5.953 ( 5.886 6.857 0.000) 9.037 6.211 ( 0.810 -3.505 0.000) 3.598 6.358 ( 6.705 -5.708 0.000) 8.805 6.768 ( 2.232 0.567 0.000) 2.303 6.860 ( -1.173 -0.135 0.000) 1.181 7.121 ( -5.374 14.084 0.000) 15.075 7.250 ( -6.361 -7.068 0.000) 9.509 7.799 ( 7.353 -2.658 0.000) 7.818 8.033 ( -4.066 -1.431 0.000) 4.311 8.206 ( 8.487 9.282 0.000) 12.578 8.364 ( -8.531 5.967 0.000) 10.410 8.825 ( -0.603 -1.258 0.000) 1.395 11.092 ( 2.116 -0.342 0.000) 2.143 11.528 ( -2.162 -4.500 0.000) 4.993 11.761 ( 0.200 2.367 0.000) 2.376 12.582 ( -1.412 -1.567 0.000) 2.109 14.189 ( -2.919 -1.287 0.000) 3.190 15.046 ( 2.130 -1.564 0.000) 2.643 15.678 ( -0.055 -1.275 0.000) 1.276 16.782 ( -0.658 1.639 0.000) 1.766 20.949 ( -1.678 -0.686 0.000) 1.813 25.670 ( -0.095 -0.097 0.000) 0.136 26.328 ( -3.568 -1.242 0.000) 3.778 28.428 ( 1.149 -1.512 0.000) 1.899 29.034 ( -13.567 -10.656 0.000) 17.251 30.186 ( -7.081 -12.479 0.000) 14.348 30.850 ( 21.694 22.121 0.000) 30.983 ======================= Grid point 4 (5/150) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -6.099 14.870 0.000) 16.072 3.093 ( 6.140 -11.002 0.000) 12.599 3.210 ( 22.276 -9.270 0.000) 24.128 3.809 ( -28.092 6.205 0.000) 28.769 4.174 ( 8.447 -4.442 0.000) 9.544 4.437 ( 2.253 -12.364 0.000) 12.567 4.608 ( -1.721 7.799 0.000) 7.987 5.152 ( -5.743 11.288 0.000) 12.665 5.577 ( 0.334 0.251 0.000) 0.418 6.004 ( 9.104 -4.070 0.000) 9.972 6.369 ( 2.445 -6.261 0.000) 6.722 6.501 ( 3.791 -4.292 0.000) 5.727 6.692 ( -4.521 8.616 0.000) 9.730 6.759 ( -5.140 10.483 0.000) 11.675 6.860 ( -0.608 -0.617 0.000) 0.866 7.308 ( -2.265 -3.288 0.000) 3.993 7.946 ( 3.135 -5.975 0.000) 6.747 8.020 ( 0.332 0.021 0.000) 0.333 8.134 ( 4.030 6.568 0.000) 7.706 8.180 ( -6.725 3.589 0.000) 7.623 8.838 ( -0.598 -0.737 0.000) 0.949 11.113 ( 0.856 -0.159 0.000) 0.870 11.565 ( -0.652 -1.230 0.000) 1.392 11.730 ( -0.249 0.724 0.000) 0.765 12.593 ( -0.164 -0.422 0.000) 0.453 14.186 ( -1.067 -0.617 0.000) 1.232 15.082 ( 0.654 -0.687 0.000) 0.948 15.695 ( 0.136 -0.413 0.000) 0.435 16.755 ( -0.284 0.683 0.000) 0.739 20.946 ( -0.512 -0.179 0.000) 0.542 25.671 ( -0.033 -0.042 0.000) 0.053 26.319 ( -1.144 -0.437 0.000) 1.225 28.455 ( 0.416 -0.523 0.000) 0.668 29.072 ( -3.950 -3.426 0.000) 5.229 30.323 ( -5.747 -8.738 0.000) 10.458 30.697 ( 10.048 11.741 0.000) 15.454 ======================= Grid point 10 (6/150) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 27.056 -0.000 0.000) 27.056 0.791 ( 37.138 -0.000 0.000) 37.138 1.442 ( 66.897 -0.000 0.000) 66.897 4.148 ( 4.849 -0.000 0.000) 4.849 4.913 ( -1.259 0.000 0.000) 1.259 5.051 ( -29.127 0.000 0.000) 29.127 5.233 ( -8.486 0.000 0.000) 8.486 5.629 ( -9.694 0.000 0.000) 9.694 5.766 ( -5.840 0.000 0.000) 5.840 5.867 ( -0.529 0.000 0.000) 0.529 5.961 ( 6.172 -0.000 0.000) 6.172 6.470 ( 5.344 -0.000 0.000) 5.344 6.805 ( 2.025 -0.000 0.000) 2.025 7.015 ( 0.553 -0.000 0.000) 0.553 7.107 ( 4.291 -0.000 0.000) 4.291 7.187 ( -5.800 0.000 0.000) 5.800 7.263 ( 14.632 -0.000 0.000) 14.632 7.887 ( 1.408 -0.000 0.000) 1.408 8.510 ( -4.544 0.000 0.000) 4.544 8.677 ( -3.828 0.000 0.000) 3.828 9.630 ( -13.389 0.000 0.000) 13.389 11.043 ( 1.042 -0.000 0.000) 1.042 11.367 ( 4.040 -0.000 0.000) 4.040 11.801 ( -1.995 0.000 0.000) 1.995 11.946 ( 1.264 -0.000 0.000) 1.264 14.255 ( 1.842 -0.000 0.000) 1.842 15.177 ( -1.676 0.000 0.000) 1.676 15.352 ( -0.021 0.000 0.000) 0.021 16.883 ( 1.692 -0.000 0.000) 1.692 20.768 ( 0.166 -0.000 0.000) 0.166 25.670 ( 0.090 -0.000 0.000) 0.090 26.068 ( 1.513 -0.000 0.000) 1.513 27.994 ( 2.429 -0.000 0.000) 2.429 28.335 ( 2.362 -0.000 0.000) 2.362 29.852 ( -3.346 0.000 0.000) 3.346 32.275 ( -1.201 0.000 0.000) 1.201 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 18.674 -29.731 0.000) 35.109 1.428 ( 29.435 -24.803 0.000) 38.492 2.277 ( 55.411 -16.765 0.000) 57.892 4.050 ( -16.484 8.655 0.000) 18.618 4.595 ( -9.155 17.144 0.000) 19.435 4.943 ( -6.206 6.368 0.000) 8.892 5.043 ( -17.919 -1.285 0.000) 17.966 5.318 ( 2.253 12.057 0.000) 12.266 5.699 ( -2.402 1.693 0.000) 2.939 6.063 ( 5.185 -6.314 0.000) 8.171 6.183 ( 1.027 -15.421 0.000) 15.455 6.480 ( 1.892 -0.027 0.000) 1.892 6.553 ( 3.041 20.427 0.000) 20.652 6.885 ( 0.411 2.091 0.000) 2.131 7.084 ( -8.974 -2.075 0.000) 9.211 7.400 ( 12.146 1.720 0.000) 12.268 7.619 ( -1.490 -21.799 0.000) 21.850 7.872 ( 0.373 2.719 0.000) 2.745 8.472 ( -7.087 -1.123 0.000) 7.176 8.586 ( -3.398 4.761 0.000) 5.849 9.139 ( -2.063 24.845 0.000) 24.930 11.076 ( 1.520 -1.200 0.000) 1.936 11.353 ( 1.806 -0.216 0.000) 1.819 11.840 ( -0.057 0.396 0.000) 0.400 12.235 ( -8.937 -21.484 0.000) 23.269 14.222 ( 1.918 4.277 0.000) 4.687 15.058 ( 2.544 4.321 0.000) 5.014 15.511 ( -4.165 -9.623 0.000) 10.486 16.870 ( 1.877 2.931 0.000) 3.480 20.841 ( -2.811 -5.581 0.000) 6.249 25.669 ( 0.076 0.120 0.000) 0.142 26.186 ( -3.486 -7.401 0.000) 8.181 28.290 ( -7.717 -24.172 0.000) 25.374 28.376 ( 2.770 -1.528 0.000) 3.164 29.852 ( -5.162 -4.649 0.000) 6.947 31.917 ( 13.179 31.201 0.000) 33.871 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 12.513 -18.794 0.000) 22.578 2.208 ( 23.195 -28.907 0.000) 37.062 3.011 ( 16.139 -9.648 0.000) 18.803 3.594 ( -15.183 6.344 0.000) 16.455 4.323 ( 4.525 12.587 0.000) 13.376 4.498 ( -14.315 12.635 0.000) 19.094 5.021 ( -4.616 5.508 0.000) 7.187 5.247 ( 0.795 0.054 0.000) 0.796 5.701 ( 7.351 0.262 0.000) 7.355 6.151 ( 4.151 5.118 0.000) 6.590 6.259 ( 1.220 9.870 0.000) 9.945 6.365 ( 8.652 -3.277 0.000) 9.252 6.659 ( -0.535 -14.193 0.000) 14.203 6.861 ( -0.478 0.710 0.000) 0.856 7.026 ( -10.653 -2.897 0.000) 11.040 7.381 ( 4.380 12.053 0.000) 12.824 7.817 ( -3.682 -0.163 0.000) 3.685 7.875 ( -0.984 -9.124 0.000) 9.177 8.345 ( -7.251 5.769 0.000) 9.266 8.465 ( -2.112 6.263 0.000) 6.610 8.822 ( -4.359 6.190 0.000) 7.571 11.110 ( 1.866 -0.469 0.000) 1.924 11.414 ( -0.242 -4.913 0.000) 4.919 11.807 ( -0.369 2.608 0.000) 2.634 12.449 ( -4.733 -10.801 0.000) 11.793 14.173 ( 0.688 2.239 0.000) 2.343 15.054 ( 2.027 -0.212 0.000) 2.038 15.609 ( -2.520 -5.369 0.000) 5.931 16.827 ( 1.105 3.321 0.000) 3.500 20.893 ( -2.179 -3.183 0.000) 3.857 25.669 ( 0.041 -0.009 0.000) 0.042 26.250 ( -2.150 -3.667 0.000) 4.251 28.421 ( 2.226 -1.182 0.000) 2.521 28.625 ( -6.838 -20.071 0.000) 21.204 29.903 ( -7.972 -8.315 0.000) 11.519 31.529 ( 14.640 27.649 0.000) 31.285 ======================= Grid point 13 (9/150) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -12.794 16.721 0.000) 21.054 2.900 ( 17.057 -20.004 0.000) 26.289 3.154 ( 6.990 -17.077 0.000) 18.452 3.468 ( -29.646 -0.338 0.000) 29.648 4.231 ( 3.923 2.590 0.000) 4.701 4.466 ( 18.844 -1.008 0.000) 18.871 4.756 ( -4.236 11.300 0.000) 12.068 5.249 ( 1.078 3.143 0.000) 3.323 5.696 ( 5.352 10.810 0.000) 12.063 6.098 ( 8.802 -0.640 0.000) 8.826 6.300 ( 6.014 -4.540 0.000) 7.535 6.510 ( 7.133 -2.316 0.000) 7.499 6.801 ( -0.888 4.461 0.000) 4.549 6.825 ( -2.422 -0.365 0.000) 2.450 6.939 ( -7.976 7.790 0.000) 11.149 7.160 ( -3.191 -0.002 0.000) 3.191 7.828 ( -4.263 -5.461 0.000) 6.928 7.980 ( -0.896 -4.153 0.000) 4.249 8.165 ( -5.711 5.694 0.000) 8.064 8.305 ( -3.684 7.165 0.000) 8.056 8.764 ( -5.009 -3.345 0.000) 6.023 11.128 ( 1.137 0.326 0.000) 1.183 11.504 ( -0.127 -4.726 0.000) 4.727 11.751 ( -0.698 2.517 0.000) 2.611 12.552 ( -1.297 -4.361 0.000) 4.550 14.161 ( 0.173 -0.430 0.000) 0.463 15.085 ( 1.581 -0.650 0.000) 1.709 15.661 ( -1.574 -2.825 0.000) 3.234 16.780 ( 0.433 2.385 0.000) 2.424 20.919 ( -1.091 -1.786 0.000) 2.093 25.670 ( 0.047 -0.065 0.000) 0.080 26.290 ( 0.062 -2.089 0.000) 2.090 28.455 ( 1.297 -0.426 0.000) 1.365 28.887 ( -1.440 -13.519 0.000) 13.596 29.980 ( -11.678 -11.324 0.000) 16.266 31.207 ( 12.299 23.572 0.000) 26.587 ======================= Grid point 14 (10/150) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -7.097 -0.519 0.000) 7.116 2.958 ( -30.109 5.741 0.000) 30.652 3.299 ( 7.016 1.011 0.000) 7.088 3.733 ( 15.006 -24.376 0.000) 28.625 4.226 ( -13.565 13.736 0.000) 19.305 4.377 ( 8.133 -12.186 0.000) 14.651 4.910 ( 18.487 3.837 0.000) 18.881 5.068 ( -1.639 12.347 0.000) 12.455 5.583 ( 0.943 2.036 0.000) 2.244 6.150 ( 2.360 12.616 0.000) 12.835 6.427 ( 2.962 -1.268 0.000) 3.222 6.574 ( 0.570 3.282 0.000) 3.331 6.629 ( 5.850 -2.693 0.000) 6.440 6.728 ( -0.378 5.417 0.000) 5.430 6.850 ( -0.173 -1.884 0.000) 1.892 7.267 ( -1.361 -7.794 0.000) 7.912 7.903 ( -6.152 -7.577 0.000) 9.760 7.962 ( -9.525 2.723 0.000) 9.906 8.041 ( -1.981 2.504 0.000) 3.193 8.212 ( 2.438 -1.324 0.000) 2.774 8.794 ( -3.224 -3.884 0.000) 5.047 11.120 ( -0.193 1.083 0.000) 1.100 11.571 ( 1.036 -1.845 0.000) 2.115 11.716 ( -0.910 0.144 0.000) 0.921 12.591 ( -0.012 -0.956 0.000) 0.956 14.186 ( 0.867 -1.475 0.000) 1.710 15.099 ( 0.868 0.754 0.000) 1.150 15.681 ( -1.324 -1.126 0.000) 1.739 16.756 ( 0.363 0.603 0.000) 0.704 20.938 ( -0.166 -1.108 0.000) 1.121 25.671 ( 0.064 -0.042 0.000) 0.077 26.329 ( 1.844 -1.091 0.000) 2.143 28.464 ( 0.340 0.422 0.000) 0.542 29.092 ( 5.527 -6.867 0.000) 8.815 30.065 ( -15.792 -13.708 0.000) 20.912 30.924 ( 9.043 19.915 0.000) 21.872 ======================= Grid point 15 (11/150) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.411 -12.266 0.000) 12.273 2.632 ( -22.591 -12.011 0.000) 25.585 3.074 ( -0.093 27.979 0.000) 27.979 3.925 ( -7.660 -0.505 0.000) 7.677 4.327 ( 2.394 16.167 0.000) 16.343 4.426 ( 15.547 7.692 0.000) 17.346 4.788 ( 8.721 -19.396 0.000) 21.266 5.212 ( -3.527 -13.223 0.000) 13.685 5.551 ( -1.395 3.179 0.000) 3.472 5.948 ( 5.604 7.865 0.000) 9.657 6.339 ( 0.048 9.949 0.000) 9.949 6.434 ( -2.626 8.005 0.000) 8.425 6.681 ( -2.009 -4.545 0.000) 4.969 6.877 ( 1.189 -0.306 0.000) 1.228 6.979 ( 11.265 -11.421 0.000) 16.042 7.359 ( 2.976 -1.575 0.000) 3.367 7.757 ( -12.832 3.992 0.000) 13.439 7.933 ( -12.246 -6.059 0.000) 13.662 8.042 ( 1.473 -2.656 0.000) 3.037 8.360 ( 7.975 -6.185 0.000) 10.093 8.820 ( -1.853 -1.640 0.000) 2.475 11.089 ( -1.241 1.348 0.000) 1.832 11.598 ( 2.293 0.628 0.000) 2.378 11.719 ( -1.423 -1.373 0.000) 1.977 12.597 ( 0.174 0.094 0.000) 0.198 14.226 ( 2.249 -0.945 0.000) 2.439 15.071 ( -0.415 2.549 0.000) 2.583 15.679 ( -1.077 -0.209 0.000) 1.097 16.767 ( 0.680 -1.015 0.000) 1.222 20.958 ( 0.561 -0.828 0.000) 1.000 25.673 ( 0.084 0.016 0.000) 0.085 26.368 ( 2.872 -0.493 0.000) 2.914 28.448 ( -0.275 1.338 0.000) 1.366 29.267 ( 14.581 -1.344 0.000) 14.643 30.133 ( -19.891 -13.827 0.000) 24.224 30.670 ( 3.960 15.490 0.000) 15.988 ======================= Grid point 16 (12/150) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -14.666 18.558 0.000) 23.654 2.412 ( -3.935 39.094 0.000) 39.292 3.154 ( 2.487 -41.216 0.000) 41.291 3.396 ( -6.727 50.891 0.000) 51.333 3.950 ( -3.538 -6.930 0.000) 7.781 4.947 ( 17.393 -15.512 0.000) 23.305 5.148 ( 4.679 -7.390 0.000) 8.747 5.367 ( -6.864 -13.861 0.000) 15.467 5.587 ( 6.673 -5.664 0.000) 8.752 5.830 ( -4.283 6.550 0.000) 7.826 6.225 ( -2.310 8.227 0.000) 8.546 6.318 ( 5.442 -2.186 0.000) 5.864 6.724 ( -1.637 -1.455 0.000) 2.190 6.889 ( 1.589 0.372 0.000) 1.631 7.147 ( -1.265 -0.116 0.000) 1.271 7.408 ( 6.362 3.274 0.000) 7.155 7.641 ( -3.667 -3.824 0.000) 5.299 7.871 ( -15.024 -3.246 0.000) 15.371 8.151 ( 2.215 -6.292 0.000) 6.671 8.542 ( 5.940 -4.666 0.000) 7.553 8.808 ( -1.427 1.182 0.000) 1.853 11.053 ( -1.208 0.975 0.000) 1.553 11.585 ( 2.512 4.166 0.000) 4.864 11.735 ( -1.747 -2.553 0.000) 3.093 12.604 ( 0.527 -0.779 0.000) 0.941 14.262 ( 2.825 0.093 0.000) 2.827 15.002 ( -1.548 3.605 0.000) 3.923 15.671 ( -0.408 0.066 0.000) 0.414 16.801 ( 0.733 -1.706 0.000) 1.857 20.981 ( 0.980 -0.779 0.000) 1.252 25.673 ( 0.076 0.068 0.000) 0.102 26.408 ( 2.821 -0.598 0.000) 2.883 28.411 ( -0.443 2.214 0.000) 2.258 29.481 ( 28.086 1.282 0.000) 28.116 30.123 ( -22.415 -8.969 0.000) 24.142 30.439 ( -6.666 8.824 0.000) 11.058 ======================= Grid point 17 (13/150) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 0.000 25.891 0.000) 25.891 1.629 ( 0.000 43.196 0.000) 43.196 2.279 ( 0.000 60.898 0.000) 60.898 3.909 ( -0.000 -19.251 0.000) 19.251 4.184 ( -0.000 -32.905 0.000) 32.905 5.135 ( 0.000 5.789 0.000) 5.789 5.221 ( -0.000 -4.225 0.000) 4.225 5.645 ( -0.000 -11.499 0.000) 11.499 5.723 ( -0.000 -3.712 0.000) 3.712 5.832 ( -0.000 -12.391 0.000) 12.391 6.023 ( 0.000 10.220 0.000) 10.220 6.525 ( -0.000 -13.370 0.000) 13.370 6.665 ( 0.000 8.092 0.000) 8.092 6.904 ( -0.000 -0.851 0.000) 0.851 7.090 ( 0.000 1.949 0.000) 1.949 7.350 ( 0.000 4.929 0.000) 4.929 7.764 ( -0.000 -5.588 0.000) 5.588 7.778 ( -0.000 -0.086 0.000) 0.086 8.264 ( -0.000 -3.645 0.000) 3.645 8.645 ( -0.000 -3.468 0.000) 3.468 8.751 ( 0.000 3.439 0.000) 3.439 11.034 ( 0.000 0.331 0.000) 0.331 11.493 ( 0.000 6.907 0.000) 6.907 11.777 ( -0.000 -2.751 0.000) 2.751 12.640 ( -0.000 -2.391 0.000) 2.391 14.270 ( 0.000 1.086 0.000) 1.086 14.925 ( 0.000 3.263 0.000) 3.263 15.670 ( -0.000 -0.058 0.000) 0.058 16.836 ( -0.000 -1.477 0.000) 1.477 21.003 ( -0.000 -0.818 0.000) 0.818 25.672 ( 0.000 0.092 0.000) 0.092 26.443 ( -0.000 -1.044 0.000) 1.044 28.364 ( 0.000 2.462 0.000) 2.462 29.798 ( -0.000 -2.738 0.000) 2.738 30.043 ( -0.000 -7.254 0.000) 7.254 30.173 ( 0.000 11.376 0.000) 11.376 ======================= Grid point 20 (14/150) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 23.344 -0.000 0.000) 23.344 1.555 ( 35.035 -0.000 0.000) 35.035 2.776 ( 58.273 -0.000 0.000) 58.273 3.820 ( -40.173 0.000 0.000) 40.173 4.763 ( -14.394 0.000 0.000) 14.394 4.781 ( 8.772 -0.000 0.000) 8.772 5.092 ( -3.492 0.000 0.000) 3.492 5.427 ( -9.051 0.000 0.000) 9.051 5.676 ( -0.500 0.000 0.000) 0.500 5.866 ( 0.870 -0.000 0.000) 0.870 6.102 ( 6.655 -0.000 0.000) 6.655 6.550 ( 2.890 -0.000 0.000) 2.890 6.849 ( 1.870 -0.000 0.000) 1.870 6.951 ( -7.542 0.000 0.000) 7.542 7.103 ( -0.853 0.000 0.000) 0.853 7.210 ( 4.932 -0.000 0.000) 4.932 7.555 ( 11.099 -0.000 0.000) 11.099 7.906 ( 0.250 -0.000 0.000) 0.250 8.373 ( -8.275 0.000 0.000) 8.275 8.569 ( -6.131 0.000 0.000) 6.131 9.240 ( -22.662 0.000 0.000) 22.662 11.069 ( 1.268 -0.000 0.000) 1.268 11.471 ( 5.354 -0.000 0.000) 5.354 11.771 ( -0.575 0.000 0.000) 0.575 11.962 ( 0.092 -0.000 0.000) 0.092 14.307 ( 2.922 -0.000 0.000) 2.922 15.129 ( -2.786 0.000 0.000) 2.786 15.352 ( 0.023 -0.000 0.000) 0.023 16.930 ( 2.588 -0.000 0.000) 2.588 20.772 ( 0.156 -0.000 0.000) 0.156 25.673 ( 0.136 -0.000 0.000) 0.136 26.111 ( 2.379 -0.000 0.000) 2.379 28.064 ( 4.070 -0.000 0.000) 4.070 28.402 ( 3.715 -0.000 0.000) 3.715 29.756 ( -5.482 0.000 0.000) 5.482 32.241 ( -1.894 0.000 0.000) 1.894 ======================= Grid point 21 (15/150) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 14.068 -21.536 0.000) 25.724 2.069 ( 30.330 -16.162 0.000) 34.368 3.216 ( -7.796 9.772 0.000) 12.501 3.420 ( 2.821 -3.083 0.000) 4.179 4.502 ( -11.218 7.976 0.000) 13.764 4.672 ( -2.044 15.335 0.000) 15.471 5.072 ( 10.193 0.579 0.000) 10.209 5.425 ( 7.499 6.306 0.000) 9.798 5.639 ( -3.759 -6.618 0.000) 7.611 6.103 ( 1.315 -14.193 0.000) 14.254 6.250 ( 4.900 -9.351 0.000) 10.557 6.525 ( 1.861 4.912 0.000) 5.253 6.677 ( 7.081 20.649 0.000) 21.829 6.872 ( -4.875 1.257 0.000) 5.034 6.912 ( -3.624 -0.279 0.000) 3.635 7.541 ( -0.699 -11.573 0.000) 11.594 7.626 ( 3.723 1.116 0.000) 3.887 7.874 ( -0.364 2.394 0.000) 2.422 8.297 ( -9.508 -1.194 0.000) 9.583 8.476 ( -6.586 2.635 0.000) 7.094 8.888 ( -18.381 9.384 0.000) 20.637 11.100 ( 0.885 -1.707 0.000) 1.923 11.422 ( 3.981 4.485 0.000) 5.997 11.834 ( 0.016 -0.185 0.000) 0.186 12.128 ( -2.684 -16.630 0.000) 16.845 14.278 ( 3.006 5.501 0.000) 6.268 15.073 ( -0.538 1.217 0.000) 1.331 15.448 ( -2.107 -7.941 0.000) 8.216 16.918 ( 2.423 3.819 0.000) 4.523 20.809 ( -0.749 -3.400 0.000) 3.482 25.672 ( 0.168 0.194 0.000) 0.256 26.173 ( 1.158 -3.456 0.000) 3.645 28.253 ( 1.662 -14.509 0.000) 14.604 28.445 ( 3.457 -0.488 0.000) 3.492 29.725 ( -6.483 -3.165 0.000) 7.215 32.050 ( 2.275 17.492 0.000) 17.639 ======================= Grid point 22 (16/150) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -14.974 -0.508 0.000) 14.983 2.713 ( 22.329 -22.441 0.000) 31.657 2.909 ( -8.826 -9.457 0.000) 12.936 3.343 ( -11.534 14.919 0.000) 18.858 4.276 ( -9.873 4.286 0.000) 10.763 4.673 ( 21.061 0.370 0.000) 21.065 4.981 ( 1.633 14.735 0.000) 14.825 5.399 ( 14.718 5.625 0.000) 15.756 5.858 ( 5.620 -10.070 0.000) 11.532 6.191 ( -0.194 8.444 0.000) 8.446 6.347 ( 5.593 2.949 0.000) 6.323 6.503 ( 4.157 -6.550 0.000) 7.758 6.678 ( 3.212 -10.328 0.000) 10.816 6.821 ( -4.726 -0.009 0.000) 4.726 6.859 ( -2.567 2.421 0.000) 3.529 7.432 ( 0.782 18.787 0.000) 18.803 7.676 ( -4.880 -5.871 0.000) 7.634 7.884 ( -1.864 -3.725 0.000) 4.165 8.197 ( -7.848 2.069 0.000) 8.116 8.318 ( -10.632 5.044 0.000) 11.768 8.643 ( -10.283 -0.662 0.000) 10.305 11.134 ( 0.549 -0.872 0.000) 1.030 11.436 ( 1.834 -2.168 0.000) 2.840 11.802 ( 0.082 2.995 0.000) 2.996 12.378 ( -2.154 -12.563 0.000) 12.746 14.208 ( 2.145 4.380 0.000) 4.877 15.081 ( 0.712 -1.297 0.000) 1.480 15.555 ( -2.367 -6.184 0.000) 6.622 16.857 ( 1.499 4.708 0.000) 4.941 20.861 ( -0.912 -3.141 0.000) 3.271 25.671 ( 0.146 0.084 0.000) 0.169 26.246 ( 1.130 -3.243 0.000) 3.434 28.465 ( 1.779 -1.097 0.000) 2.090 28.587 ( 1.537 -16.927 0.000) 16.996 29.724 ( -8.360 -5.132 0.000) 9.809 31.725 ( 5.372 21.647 0.000) 22.304 ======================= Grid point 23 (17/150) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -24.630 9.934 0.000) 26.558 2.864 ( -19.570 15.456 0.000) 24.937 3.299 ( 12.100 -19.034 0.000) 22.554 3.344 ( 14.100 -25.349 0.000) 29.007 4.137 ( -13.069 -1.896 0.000) 13.205 4.559 ( 1.054 19.429 0.000) 19.458 4.945 ( 7.015 -1.783 0.000) 7.238 5.485 ( 18.850 8.810 0.000) 20.807 5.773 ( 2.148 17.056 0.000) 17.191 6.297 ( 8.500 -9.172 0.000) 12.505 6.415 ( 3.880 0.189 0.000) 3.885 6.590 ( -2.342 -0.964 0.000) 2.533 6.707 ( 0.992 4.245 0.000) 4.360 6.799 ( -1.201 -2.163 0.000) 2.474 6.892 ( 0.308 3.333 0.000) 3.347 7.123 ( 0.673 4.367 0.000) 4.418 7.733 ( -3.710 -4.745 0.000) 6.023 7.881 ( -9.787 0.234 0.000) 9.790 8.080 ( -4.428 2.441 0.000) 5.056 8.155 ( -5.435 -1.031 0.000) 5.532 8.647 ( -5.132 -6.601 0.000) 8.362 11.139 ( 0.016 0.744 0.000) 0.744 11.515 ( 0.812 -4.396 0.000) 4.470 11.743 ( 0.001 3.127 0.000) 3.127 12.531 ( -0.625 -5.968 0.000) 6.000 14.180 ( 1.160 0.539 0.000) 1.280 15.113 ( 1.055 -0.699 0.000) 1.266 15.622 ( -1.796 -3.614 0.000) 4.036 16.794 ( 0.618 3.124 0.000) 3.184 20.904 ( -0.443 -2.297 0.000) 2.339 25.672 ( 0.096 -0.010 0.000) 0.096 26.315 ( 1.641 -2.581 0.000) 3.058 28.479 ( 0.850 0.527 0.000) 1.001 28.928 ( 4.224 -16.492 0.000) 17.025 29.730 ( -10.892 -6.526 0.000) 12.698 31.387 ( 5.285 21.531 0.000) 22.170 ======================= Grid point 24 (18/150) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.725 -21.662 0.000) 22.171 2.423 ( -14.869 11.471 0.000) 18.780 3.528 ( 11.806 12.130 0.000) 16.927 3.880 ( -8.972 1.094 0.000) 9.038 4.021 ( 2.394 -24.599 0.000) 24.715 4.511 ( 3.738 -13.897 0.000) 14.391 5.021 ( -0.740 -3.605 0.000) 3.680 5.180 ( 4.211 36.431 0.000) 36.674 5.612 ( 0.761 5.874 0.000) 5.923 6.209 ( 4.478 11.554 0.000) 12.391 6.481 ( 1.345 0.947 0.000) 1.645 6.592 ( 1.092 4.130 0.000) 4.272 6.644 ( -2.606 11.903 0.000) 12.185 6.860 ( 1.010 -3.236 0.000) 3.390 6.889 ( 9.993 -12.646 0.000) 16.118 7.257 ( 0.485 -9.906 0.000) 9.918 7.676 ( -12.800 3.300 0.000) 13.218 7.766 ( -5.409 -1.866 0.000) 5.722 8.026 ( -0.224 0.484 0.000) 0.533 8.270 ( 2.252 -9.627 0.000) 9.887 8.727 ( -2.275 -5.740 0.000) 6.174 11.111 ( -0.378 1.844 0.000) 1.883 11.596 ( 0.981 -3.157 0.000) 3.306 11.698 ( -0.626 1.286 0.000) 1.430 12.591 ( 0.026 -1.347 0.000) 1.347 14.208 ( 0.773 -2.091 0.000) 2.229 15.115 ( 0.477 1.617 0.000) 1.686 15.653 ( -0.924 -1.546 0.000) 1.801 16.764 ( 0.273 0.536 0.000) 0.601 20.937 ( -0.003 -1.674 0.000) 1.674 25.673 ( 0.048 -0.035 0.000) 0.059 26.371 ( 1.413 -1.729 0.000) 2.233 28.469 ( 0.137 1.047 0.000) 1.056 29.276 ( 10.122 -13.559 0.000) 16.921 29.727 ( -14.045 -7.243 0.000) 15.803 31.052 ( 3.058 20.109 0.000) 20.340 ======================= Grid point 25 (19/150) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 1.392 0.000) 1.392 2.389 ( -0.000 -29.067 0.000) 29.067 3.081 ( 0.000 35.002 0.000) 35.002 3.831 ( -0.000 -3.775 0.000) 3.775 4.336 ( 0.000 45.060 0.000) 45.060 4.647 ( -0.000 -23.368 0.000) 23.368 4.904 ( -0.000 -23.014 0.000) 23.014 5.097 ( -0.000 -4.744 0.000) 4.744 5.537 ( 0.000 0.496 0.000) 0.496 6.059 ( 0.000 12.194 0.000) 12.194 6.378 ( 0.000 7.967 0.000) 7.967 6.381 ( 0.000 8.456 0.000) 8.456 6.653 ( -0.000 -4.156 0.000) 4.156 6.899 ( -0.000 -0.609 0.000) 0.609 7.122 ( -0.000 -4.767 0.000) 4.767 7.460 ( -0.000 -10.700 0.000) 10.700 7.524 ( 0.000 3.998 0.000) 3.998 7.754 ( -0.000 -0.885 0.000) 0.885 8.061 ( -0.000 -4.145 0.000) 4.145 8.457 ( -0.000 -8.168 0.000) 8.168 8.791 ( -0.000 -2.317 0.000) 2.317 11.073 ( 0.000 1.850 0.000) 1.850 11.639 ( -0.000 -0.122 0.000) 0.122 11.688 ( -0.000 -0.955 0.000) 0.955 12.599 ( 0.000 0.023 0.000) 0.023 14.255 ( -0.000 -2.082 0.000) 2.082 15.066 ( 0.000 3.638 0.000) 3.638 15.665 ( -0.000 -0.440 0.000) 0.440 16.775 ( -0.000 -1.294 0.000) 1.294 20.965 ( -0.000 -1.312 0.000) 1.312 25.674 ( -0.000 -0.001 0.000) 0.001 26.405 ( -0.000 -1.149 0.000) 1.149 28.445 ( 0.000 1.654 0.000) 1.654 29.644 ( -0.000 -14.656 0.000) 14.656 29.689 ( -0.000 -3.026 0.000) 3.026 30.719 ( 0.000 18.054 0.000) 18.054 ======================= Grid point 30 (20/150) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 13.003 -0.000 0.000) 13.003 2.251 ( 30.504 -0.000 0.000) 30.504 2.869 ( -43.466 0.000 0.000) 43.466 3.791 ( 33.875 -0.000 0.000) 33.875 4.382 ( -19.157 0.000 0.000) 19.157 4.956 ( 0.421 -0.000 0.000) 0.421 5.080 ( 3.837 -0.000 0.000) 3.837 5.353 ( 4.900 -0.000 0.000) 4.900 5.791 ( 10.946 -0.000 0.000) 10.946 5.928 ( 5.717 -0.000 0.000) 5.717 6.232 ( 5.882 -0.000 0.000) 5.882 6.592 ( 0.745 -0.000 0.000) 0.745 6.769 ( -8.456 0.000 0.000) 8.456 6.874 ( 0.430 -0.000 0.000) 0.430 7.093 ( -0.807 0.000 0.000) 0.807 7.300 ( 3.348 -0.000 0.000) 3.348 7.705 ( 3.396 -0.000 0.000) 3.396 7.891 ( -2.306 0.000 0.000) 2.306 8.161 ( -11.951 0.000 0.000) 11.951 8.439 ( -5.706 0.000 0.000) 5.706 8.739 ( -22.343 0.000 0.000) 22.343 11.092 ( 0.774 -0.000 0.000) 0.774 11.576 ( 4.224 -0.000 0.000) 4.224 11.784 ( 1.744 -0.000 0.000) 1.744 11.947 ( -1.467 0.000 0.000) 1.467 14.369 ( 2.783 -0.000 0.000) 2.783 15.068 ( -2.768 0.000 0.000) 2.768 15.353 ( 0.074 -0.000 0.000) 0.074 16.983 ( 2.271 -0.000 0.000) 2.271 20.774 ( 0.044 -0.000 0.000) 0.044 25.676 ( 0.118 -0.000 0.000) 0.118 26.161 ( 2.157 -0.000 0.000) 2.157 28.153 ( 4.047 -0.000 0.000) 4.047 28.479 ( 3.367 -0.000 0.000) 3.367 29.637 ( -5.303 0.000 0.000) 5.303 32.202 ( -1.726 0.000 0.000) 1.726 ======================= Grid point 31 (21/150) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -9.860 -4.448 0.000) 10.817 2.525 ( -16.093 -7.940 0.000) 17.945 2.683 ( 21.138 -13.166 0.000) 24.903 3.718 ( 0.279 26.521 0.000) 26.523 4.188 ( -14.352 2.239 0.000) 14.525 4.918 ( 18.205 1.352 0.000) 18.255 5.273 ( 6.133 9.716 0.000) 11.490 5.474 ( -5.246 -21.924 0.000) 22.543 5.744 ( 17.624 9.596 0.000) 20.068 6.175 ( 3.003 -8.252 0.000) 8.782 6.356 ( 5.740 -5.267 0.000) 7.790 6.539 ( -0.503 3.487 0.000) 3.523 6.735 ( -4.662 -1.973 0.000) 5.062 6.824 ( 4.897 9.647 0.000) 10.818 6.887 ( -0.274 5.751 0.000) 5.757 7.496 ( -1.597 -9.775 0.000) 9.905 7.695 ( 2.546 5.179 0.000) 5.770 7.832 ( -4.552 1.111 0.000) 4.686 8.033 ( -15.805 -0.852 0.000) 15.828 8.342 ( -4.861 4.655 0.000) 6.730 8.521 ( -12.774 0.770 0.000) 12.798 11.114 ( 0.394 -1.476 0.000) 1.528 11.497 ( 2.751 6.039 0.000) 6.636 11.846 ( 0.934 0.919 0.000) 1.310 12.089 ( -1.261 -15.441 0.000) 15.493 14.336 ( 2.150 5.721 0.000) 6.112 15.053 ( -1.066 -1.359 0.000) 1.727 15.417 ( -0.900 -5.926 0.000) 5.994 16.962 ( 1.575 4.228 0.000) 4.512 20.800 ( -0.242 -2.547 0.000) 2.559 25.675 ( 0.113 0.159 0.000) 0.195 26.205 ( 1.448 -2.467 0.000) 2.861 28.305 ( 2.507 -11.638 0.000) 11.905 28.509 ( 2.375 -0.008 0.000) 2.375 29.600 ( -4.757 -1.466 0.000) 4.978 32.069 ( 0.131 12.291 0.000) 12.292 ======================= Grid point 32 (22/150) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -21.631 10.710 0.000) 24.137 2.827 ( 1.588 -27.467 0.000) 27.513 3.128 ( -1.611 19.952 0.000) 20.017 3.219 ( 12.605 -11.290 0.000) 16.922 3.996 ( -12.739 2.550 0.000) 12.992 4.954 ( 4.144 19.002 0.000) 19.449 5.052 ( 3.979 6.653 0.000) 7.752 5.812 ( 16.736 6.360 0.000) 17.904 5.922 ( 3.813 -20.209 0.000) 20.566 6.128 ( -6.669 4.483 0.000) 8.035 6.454 ( 3.616 -1.771 0.000) 4.026 6.550 ( 0.596 -1.144 0.000) 1.290 6.720 ( -0.892 -0.534 0.000) 1.039 6.802 ( 0.962 2.382 0.000) 2.569 6.849 ( 2.772 -2.560 0.000) 3.773 7.459 ( 3.627 18.327 0.000) 18.683 7.656 ( 1.885 -2.312 0.000) 2.983 7.793 ( -6.277 -0.203 0.000) 6.280 7.885 ( -15.808 -6.854 0.000) 17.230 8.206 ( -1.018 5.900 0.000) 5.988 8.479 ( -4.404 -5.360 0.000) 6.938 11.139 ( 0.048 -0.737 0.000) 0.739 11.470 ( 1.014 -0.731 0.000) 1.250 11.808 ( 0.313 3.323 0.000) 3.337 12.350 ( -0.615 -12.913 0.000) 12.928 14.245 ( 1.031 5.099 0.000) 5.202 15.089 ( 0.161 -2.513 0.000) 2.518 15.518 ( -0.985 -5.808 0.000) 5.891 16.881 ( 0.625 5.352 0.000) 5.388 20.850 ( -0.247 -3.012 0.000) 3.022 25.673 ( 0.070 0.103 0.000) 0.125 26.272 ( 0.867 -3.322 0.000) 3.433 28.493 ( 0.774 -0.912 0.000) 1.196 28.633 ( 1.708 -16.634 0.000) 16.722 29.585 ( -3.924 -1.888 0.000) 4.355 31.792 ( 1.360 18.387 0.000) 18.438 ======================= Grid point 33 (23/150) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 0.274 0.000) 0.274 2.654 ( 0.000 20.714 0.000) 20.714 3.398 ( -0.000 -31.593 0.000) 31.593 3.674 ( -0.000 -17.063 0.000) 17.063 3.847 ( 0.000 3.608 0.000) 3.608 4.582 ( 0.000 18.107 0.000) 18.107 5.002 ( 0.000 1.795 0.000) 1.795 5.749 ( 0.000 21.350 0.000) 21.350 5.771 ( 0.000 9.245 0.000) 9.245 6.397 ( -0.000 -12.259 0.000) 12.259 6.433 ( 0.000 10.839 0.000) 10.839 6.574 ( -0.000 -9.104 0.000) 9.104 6.751 ( -0.000 -0.515 0.000) 0.515 6.784 ( -0.000 -5.204 0.000) 5.204 6.895 ( 0.000 6.611 0.000) 6.611 7.172 ( 0.000 6.830 0.000) 6.830 7.661 ( 0.000 2.302 0.000) 2.302 7.721 ( -0.000 -0.063 0.000) 0.063 8.006 ( -0.000 -7.383 0.000) 7.383 8.131 ( -0.000 -0.923 0.000) 0.923 8.586 ( -0.000 -7.746 0.000) 7.746 11.137 ( 0.000 0.946 0.000) 0.946 11.526 ( -0.000 -4.180 0.000) 4.180 11.745 ( 0.000 3.488 0.000) 3.488 12.525 ( -0.000 -6.452 0.000) 6.452 14.194 ( 0.000 0.815 0.000) 0.815 15.125 ( -0.000 -0.875 0.000) 0.875 15.600 ( -0.000 -3.739 0.000) 3.739 16.801 ( 0.000 3.371 0.000) 3.371 20.899 ( -0.000 -2.451 0.000) 2.451 25.673 ( 0.000 0.007 0.000) 0.007 26.335 ( -0.000 -2.882 0.000) 2.882 28.488 ( 0.000 0.912 0.000) 0.912 28.993 ( -0.000 -20.033 0.000) 20.033 29.594 ( -0.000 -2.018 0.000) 2.018 31.441 ( 0.000 20.548 0.000) 20.548 ======================= Grid point 40 (24/150) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -9.235 0.000 0.000) 9.235 2.272 ( -9.489 0.000 0.000) 9.489 2.784 ( 17.039 -0.000 0.000) 17.039 3.927 ( -11.816 0.000 0.000) 11.816 4.247 ( 3.861 -0.000 0.000) 3.861 4.882 ( -3.332 0.000 0.000) 3.332 5.252 ( 7.899 -0.000 0.000) 7.899 5.481 ( 3.598 -0.000 0.000) 3.598 6.034 ( 7.477 -0.000 0.000) 7.477 6.097 ( 7.770 -0.000 0.000) 7.770 6.388 ( 9.203 -0.000 0.000) 9.203 6.567 ( -2.518 0.000 0.000) 2.518 6.634 ( -3.613 0.000 0.000) 3.613 6.872 ( -0.288 0.000 0.000) 0.288 7.059 ( -2.319 0.000 0.000) 2.319 7.347 ( 1.131 -0.000 0.000) 1.131 7.713 ( -12.577 0.000 0.000) 12.577 7.731 ( 0.088 -0.000 0.000) 0.088 7.982 ( -2.416 0.000 0.000) 2.416 8.349 ( -2.358 0.000 0.000) 2.358 8.418 ( -7.233 0.000 0.000) 7.233 11.102 ( 0.218 -0.000 0.000) 0.218 11.639 ( 1.583 -0.000 0.000) 1.583 11.837 ( 3.007 -0.000 0.000) 3.007 11.902 ( -2.710 0.000 0.000) 2.710 14.414 ( 1.200 -0.000 0.000) 1.200 15.023 ( -1.218 0.000 0.000) 1.218 15.355 ( 0.043 -0.000 0.000) 0.043 17.018 ( 0.896 -0.000 0.000) 0.896 20.774 ( -0.006 0.000 0.000) 0.006 25.677 ( 0.046 -0.000 0.000) 0.046 26.194 ( 0.870 -0.000 0.000) 0.870 28.219 ( 1.766 -0.000 0.000) 1.766 28.532 ( 1.357 -0.000 0.000) 1.357 29.553 ( -2.267 0.000 0.000) 2.267 32.175 ( -0.698 0.000 0.000) 0.698 ======================= Grid point 41 (25/150) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 6.712 0.000) 6.712 2.402 ( -0.000 -17.953 0.000) 17.953 2.998 ( -0.000 -12.528 0.000) 12.528 3.649 ( 0.000 26.021 0.000) 26.021 4.015 ( 0.000 9.342 0.000) 9.342 5.142 ( -0.000 -4.016 0.000) 4.016 5.330 ( 0.000 16.252 0.000) 16.252 5.401 ( -0.000 -23.678 0.000) 23.678 6.096 ( 0.000 4.917 0.000) 4.917 6.106 ( -0.000 -0.609 0.000) 0.609 6.452 ( -0.000 -0.459 0.000) 0.459 6.528 ( -0.000 -0.041 0.000) 0.041 6.673 ( -0.000 -3.963 0.000) 3.963 6.853 ( 0.000 1.877 0.000) 1.877 6.927 ( 0.000 7.582 0.000) 7.582 7.515 ( -0.000 -12.569 0.000) 12.569 7.648 ( -0.000 -1.027 0.000) 1.027 7.742 ( -0.000 -0.745 0.000) 0.745 7.854 ( 0.000 12.219 0.000) 12.219 8.297 ( 0.000 4.167 0.000) 4.167 8.389 ( -0.000 -1.505 0.000) 1.505 11.118 ( -0.000 -1.372 0.000) 1.372 11.527 ( 0.000 6.380 0.000) 6.380 11.859 ( 0.000 1.902 0.000) 1.902 12.075 ( -0.000 -15.864 0.000) 15.864 14.360 ( 0.000 5.782 0.000) 5.782 15.040 ( -0.000 -2.357 0.000) 2.357 15.408 ( -0.000 -5.122 0.000) 5.122 16.979 ( 0.000 4.378 0.000) 4.378 20.797 ( -0.000 -2.339 0.000) 2.339 25.676 ( 0.000 0.138 0.000) 0.138 26.222 ( -0.000 -2.390 0.000) 2.390 28.335 ( -0.000 -11.054 0.000) 11.054 28.536 ( 0.000 0.098 0.000) 0.098 29.546 ( -0.000 -0.626 0.000) 0.626 32.069 ( 0.000 10.868 0.000) 10.868 ======================= Grid point 83 (26/150) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 0.000 37.270) 37.270 0.936 ( 0.000 0.000 44.592) 44.592 1.396 ( 0.000 0.000 65.656) 65.656 3.993 ( 0.000 0.000 -6.507) 6.507 4.913 ( 0.000 0.000 -1.294) 1.294 5.053 ( 0.000 0.000 -20.353) 20.353 5.267 ( 0.000 0.000 -10.781) 10.781 5.846 ( 0.000 0.000 1.356) 1.356 5.967 ( 0.000 0.000 7.893) 7.893 6.018 ( 0.000 0.000 10.904) 10.904 6.287 ( 0.000 0.000 -5.280) 5.280 6.569 ( 0.000 0.000 -12.887) 12.887 6.751 ( 0.000 0.000 -15.474) 15.474 7.112 ( 0.000 0.000 3.332) 3.332 7.192 ( 0.000 0.000 -3.341) 3.341 7.192 ( 0.000 0.000 6.508) 6.508 7.336 ( 0.000 0.000 11.282) 11.282 7.746 ( 0.000 0.000 -1.735) 1.735 8.120 ( 0.000 0.000 -0.987) 0.987 8.757 ( 0.000 0.000 3.672) 3.672 8.782 ( 0.000 0.000 10.350) 10.350 10.865 ( 0.000 0.000 -12.698) 12.698 11.770 ( 0.000 0.000 0.741) 0.741 11.975 ( 0.000 0.000 4.730) 4.730 12.059 ( 0.000 0.000 18.461) 18.461 14.821 ( 0.000 0.000 -4.032) 4.032 15.177 ( 0.000 0.000 -16.490) 16.490 15.303 ( 0.000 0.000 -17.809) 17.809 17.783 ( 0.000 0.000 20.792) 20.792 20.779 ( 0.000 0.000 0.800) 0.800 26.126 ( 0.000 0.000 7.128) 7.128 27.857 ( 0.000 0.000 -1.960) 1.960 27.957 ( 0.000 0.000 -0.986) 0.986 28.698 ( 0.000 0.000 -3.134) 3.134 29.882 ( 0.000 0.000 -0.602) 0.602 29.912 ( 0.000 0.000 -0.753) 0.753 ======================= Grid point 84 (27/150) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 12.912 -17.661 28.269) 35.745 1.101 ( 19.825 -13.942 29.974) 38.547 1.961 ( 15.915 -41.868 47.643) 65.391 3.963 ( 4.089 6.854 -8.874) 11.935 4.779 ( -5.131 22.217 -7.884) 24.127 4.955 ( 0.311 -5.062 -1.808) 5.384 5.313 ( -3.605 1.806 -5.272) 6.637 5.584 ( -16.644 9.139 -0.872) 19.008 5.761 ( -6.450 1.573 -0.953) 6.707 6.128 ( 3.429 5.693 1.043) 6.727 6.232 ( -14.920 18.400 8.201) 25.068 6.479 ( -0.925 -0.605 -5.553) 5.662 6.551 ( 2.273 -9.011 4.986) 10.546 6.905 ( -3.841 6.427 3.456) 8.247 7.125 ( 4.621 1.597 -0.817) 4.957 7.236 ( 1.453 -3.516 0.232) 3.812 7.631 ( -4.110 -14.034 -2.511) 14.838 7.860 ( 7.157 1.366 -1.301) 7.401 8.179 ( 19.132 9.957 -12.996) 25.180 8.786 ( -2.548 -2.065 10.169) 10.685 8.923 ( 3.180 -5.195 4.342) 7.480 10.859 ( 0.642 0.851 -13.442) 13.485 11.545 ( -4.374 4.960 10.377) 12.305 12.057 ( 0.777 0.448 18.540) 18.561 12.277 ( -4.131 -17.417 -9.587) 20.306 14.611 ( -10.652 21.120 7.204) 24.727 14.894 ( 7.032 5.146 -5.507) 10.308 15.405 ( -1.245 -3.607 -20.140) 20.499 17.367 ( -11.166 13.540 37.158) 41.094 20.907 ( -3.015 -7.669 -2.890) 8.733 26.013 ( -0.170 9.589 15.417) 18.156 26.771 ( -20.015 19.163 30.421) 41.149 28.284 ( 0.287 -4.356 -4.429) 6.219 28.849 ( -54.593 -36.248 -7.140) 65.919 29.917 ( -1.128 -4.738 -1.123) 4.998 30.591 ( 71.017 12.992 -30.842) 78.507 ======================= Grid point 85 (28/150) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 22.784 -17.806 19.258) 34.742 1.728 ( 15.817 -33.416 4.635) 37.260 2.948 ( 16.711 -43.517 34.282) 57.864 3.728 ( -0.609 24.404 -10.268) 26.484 4.297 ( -3.381 18.767 5.939) 19.972 4.962 ( -16.893 10.065 -5.345) 20.378 5.116 ( -3.197 0.243 1.992) 3.775 5.404 ( -11.704 -5.229 1.918) 12.962 5.611 ( -7.337 9.889 -5.051) 13.309 5.955 ( 3.955 2.446 -6.243) 7.784 6.080 ( 6.076 6.816 -4.716) 10.277 6.384 ( 0.679 5.313 5.052) 7.363 6.740 ( -5.124 -3.638 -0.763) 6.330 6.826 ( 1.340 -1.584 3.246) 3.853 7.158 ( -1.449 -4.207 -2.554) 5.130 7.309 ( 2.898 0.179 2.186) 3.635 7.741 ( 3.244 0.404 -2.027) 3.847 7.911 ( -1.780 -4.237 -4.683) 6.561 8.160 ( 14.508 9.577 -8.213) 19.227 8.763 ( -7.012 1.468 12.503) 14.410 8.921 ( -0.882 2.709 8.968) 9.410 10.849 ( 1.366 1.554 -15.648) 15.784 11.513 ( -4.266 -4.323 5.485) 8.184 12.058 ( 1.397 0.698 19.678) 19.740 12.464 ( -3.271 -8.472 -6.512) 11.175 14.243 ( -3.177 11.341 -0.350) 11.782 14.930 ( 3.229 -1.362 -5.496) 6.519 15.443 ( 0.426 -1.447 -19.597) 19.655 17.165 ( -4.552 2.857 30.402) 30.873 20.959 ( -2.972 -2.619 -0.255) 3.969 25.878 ( -0.220 4.566 16.120) 16.756 26.498 ( -9.040 1.664 14.120) 16.848 28.352 ( 1.485 -2.539 -2.763) 4.036 28.913 ( -27.552 -19.076 -6.122) 34.066 30.019 ( -3.592 -8.902 -1.816) 9.770 30.802 ( 36.561 20.180 -17.454) 45.261 ======================= Grid point 86 (29/150) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 9.768 -2.899 16.433) 19.335 2.508 ( 11.341 -34.203 -2.355) 36.111 3.202 ( 6.090 21.145 5.554) 22.695 3.758 ( 6.485 -20.269 8.844) 23.045 4.117 ( -3.284 -1.467 5.875) 6.889 4.539 ( -12.007 8.650 6.577) 16.194 4.916 ( -10.717 14.880 -4.296) 18.834 5.398 ( -8.462 -0.910 2.469) 8.861 5.539 ( 8.882 -2.600 -0.486) 9.267 5.919 ( 4.422 5.249 -2.788) 7.408 6.124 ( 3.625 -3.408 -10.693) 11.794 6.358 ( 2.881 -1.732 5.845) 6.743 6.680 ( -4.534 2.305 -12.496) 13.491 6.839 ( 2.497 4.367 3.664) 6.224 7.199 ( -4.114 6.305 4.431) 8.736 7.264 ( -4.922 -5.325 1.057) 7.328 7.799 ( 5.864 -2.483 -2.164) 6.725 7.949 ( -0.298 -2.478 -4.365) 5.029 8.159 ( 10.494 6.005 -2.061) 12.266 8.557 ( -11.807 7.966 13.833) 19.855 8.899 ( -0.974 -0.540 6.864) 6.954 10.830 ( 1.137 1.896 -18.559) 18.690 11.563 ( -3.128 -4.666 3.527) 6.633 12.060 ( 1.095 0.515 21.750) 21.783 12.546 ( -1.200 -3.612 -2.714) 4.675 14.080 ( -1.582 4.734 -9.704) 10.912 14.990 ( 1.731 -1.968 -5.388) 5.992 15.470 ( 0.996 -0.665 -19.421) 19.458 17.104 ( -2.108 0.707 28.589) 28.676 20.962 ( -1.764 -0.780 0.538) 2.002 25.824 ( -0.060 1.674 13.510) 13.613 26.418 ( -4.555 0.013 8.645) 9.772 28.407 ( 1.261 -1.700 -2.115) 2.992 28.967 ( -13.283 -10.215 -6.516) 17.979 30.153 ( -5.777 -10.750 -3.034) 12.576 30.745 ( 21.401 17.887 -9.109) 29.342 ======================= Grid point 87 (30/150) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -5.784 11.225 21.150) 24.632 3.121 ( 7.939 -17.711 2.466) 19.565 3.301 ( 23.358 -5.981 7.783) 25.337 3.840 ( -30.522 5.534 2.841) 31.149 3.892 ( 5.299 0.700 -16.899) 17.724 4.444 ( -5.858 14.664 -3.612) 16.199 4.824 ( 9.185 -14.995 16.728) 24.270 5.257 ( -5.385 7.568 9.090) 12.996 5.664 ( 1.014 -1.494 6.991) 7.220 5.949 ( 6.751 -3.201 -5.569) 9.319 6.247 ( 4.376 -5.351 -9.695) 11.907 6.437 ( -1.829 1.499 -4.708) 5.269 6.567 ( -3.078 0.922 -7.327) 8.000 6.742 ( 0.443 6.492 -1.280) 6.632 7.001 ( -3.660 5.160 7.782) 10.029 7.321 ( -2.173 -2.982 1.434) 3.959 7.918 ( 2.281 -4.277 -4.945) 6.925 8.033 ( 5.702 -2.642 1.241) 6.406 8.139 ( 3.450 3.161 1.350) 4.870 8.292 ( -9.988 6.936 11.004) 16.400 8.901 ( -0.554 -0.437 6.034) 6.075 10.810 ( 0.389 0.927 -20.808) 20.832 11.601 ( -1.127 -1.803 3.468) 4.068 12.062 ( 0.389 0.158 23.477) 23.481 12.579 ( -0.222 -0.973 -1.151) 1.523 14.017 ( -0.559 1.273 -14.332) 14.399 15.029 ( 0.530 -0.833 -5.405) 5.495 15.486 ( 0.488 -0.196 -19.275) 19.282 17.083 ( -0.647 0.148 28.852) 28.859 20.957 ( -0.578 -0.147 0.550) 0.811 25.806 ( -0.012 0.437 12.287) 12.295 26.389 ( -1.428 -0.094 6.714) 6.865 28.437 ( 0.476 -0.584 -1.756) 1.911 29.000 ( -3.986 -3.299 -6.998) 8.703 30.267 ( -4.307 -6.702 -4.840) 9.321 30.647 ( 8.984 9.088 -4.526) 13.557 ======================= Grid point 93 (31/150) ======================= q-point: ( 0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 14.048 -0.000 37.532) 40.075 1.184 ( 23.638 -0.000 31.375) 39.283 1.896 ( 47.210 -0.000 40.649) 62.298 4.089 ( 6.689 -0.000 -5.488) 8.652 4.892 ( -3.895 0.000 -6.259) 7.372 5.010 ( -24.625 0.000 -4.054) 24.956 5.060 ( -0.399 0.000 -13.719) 13.725 5.593 ( -11.360 0.000 -1.545) 11.465 5.839 ( -11.331 0.000 6.256) 12.944 5.945 ( -6.403 0.000 4.289) 7.707 6.189 ( -16.344 0.000 7.186) 17.854 6.400 ( 4.846 -0.000 -6.506) 8.113 6.644 ( 5.930 -0.000 -8.920) 10.711 7.106 ( -7.220 0.000 -2.801) 7.745 7.207 ( -2.314 0.000 11.943) 12.165 7.225 ( 3.647 -0.000 5.767) 6.823 7.303 ( 13.878 -0.000 3.934) 14.425 7.913 ( 1.216 -0.000 1.985) 2.328 8.545 ( 6.635 -0.000 -6.264) 9.125 8.715 ( -3.932 0.000 3.566) 5.309 8.956 ( 15.669 -0.000 -18.711) 24.405 10.872 ( 0.633 -0.000 -12.985) 13.000 11.594 ( -10.703 0.000 7.013) 12.796 11.941 ( -2.159 0.000 7.439) 7.746 12.089 ( 1.961 -0.000 16.164) 16.283 14.653 ( -10.410 0.000 8.058) 13.165 15.177 ( 0.023 -0.000 -16.464) 16.464 15.216 ( -4.743 0.000 -5.008) 6.897 17.319 ( -19.849 0.000 35.456) 40.634 20.778 ( -0.058 0.000 0.588) 0.591 26.142 ( 1.471 -0.000 7.085) 7.236 26.574 ( -48.086 0.000 51.709) 70.612 27.980 ( 2.160 -0.000 -1.266) 2.504 28.338 ( -0.012 0.000 0.289) 0.290 29.849 ( -2.988 0.000 -0.219) 2.996 31.442 ( 44.680 -0.000 -50.080) 67.114 ======================= Grid point 94 (32/150) ======================= q-point: ( 0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 19.088 -16.777 20.554) 32.685 1.650 ( 25.217 -16.217 19.943) 36.009 2.638 ( 43.623 -21.601 30.880) 57.647 4.016 ( -7.391 10.688 -3.685) 13.507 4.523 ( -14.650 15.969 -5.250) 22.298 4.898 ( -9.026 2.772 -5.091) 10.728 5.074 ( -11.857 -4.247 0.963) 12.632 5.350 ( -0.132 11.779 1.482) 11.873 5.639 ( -4.509 1.210 -4.869) 6.746 5.990 ( -0.974 -0.668 -3.400) 3.599 6.191 ( -1.645 -3.971 -5.166) 6.720 6.482 ( -0.472 -7.622 -0.232) 7.640 6.606 ( 3.739 9.519 5.059) 11.410 6.880 ( 0.261 7.574 1.436) 7.713 7.084 ( -5.224 -0.152 0.723) 5.276 7.425 ( 10.810 2.146 2.488) 11.298 7.586 ( -1.436 -16.129 -2.123) 16.331 7.893 ( -0.154 2.436 1.439) 2.833 8.451 ( 2.343 8.745 -5.552) 10.620 8.694 ( -5.891 -1.484 10.118) 11.802 8.997 ( -0.002 5.896 -6.788) 8.991 10.880 ( 1.012 0.255 -14.457) 14.494 11.440 ( -3.560 2.074 6.438) 7.644 12.059 ( -1.140 -3.422 14.531) 14.972 12.189 ( -2.524 -13.234 1.857) 13.600 14.442 ( -4.285 12.212 9.440) 16.019 14.993 ( 2.476 5.311 -7.534) 9.544 15.363 ( -2.472 -7.153 -14.699) 16.533 17.151 ( -6.068 1.998 27.648) 28.377 20.843 ( -2.249 -5.540 -0.189) 5.982 25.987 ( -2.974 8.788 20.443) 22.450 26.351 ( -12.133 -5.479 18.351) 22.671 28.238 ( -4.419 -18.742 -4.459) 19.765 28.381 ( -0.664 -5.135 0.053) 5.178 29.851 ( -4.624 -4.309 -0.050) 6.320 31.552 ( 24.264 20.670 -28.864) 43.002 ======================= Grid point 95 (33/150) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 12.210 -22.485 11.049) 27.870 2.185 ( 20.541 -15.431 3.628) 25.946 3.339 ( 7.872 -7.996 25.150) 27.540 3.647 ( -4.785 3.686 5.456) 8.139 4.190 ( -3.164 11.314 -7.995) 14.210 4.586 ( -8.025 8.802 4.675) 12.796 5.017 ( -7.256 6.834 -0.355) 9.974 5.286 ( 0.986 -1.309 1.787) 2.425 5.647 ( 8.604 -0.472 -4.337) 9.647 6.026 ( 2.833 1.421 -10.429) 10.900 6.165 ( 2.966 3.219 -8.934) 9.948 6.433 ( 2.290 6.110 7.551) 9.980 6.651 ( -2.719 -4.973 -5.009) 7.565 6.865 ( 1.989 -3.105 5.434) 6.567 7.045 ( -6.615 -2.912 0.069) 7.228 7.399 ( 3.302 10.154 1.762) 10.821 7.755 ( -4.176 -5.978 -6.711) 9.910 7.880 ( 1.862 -2.526 1.754) 3.594 8.335 ( 0.092 5.790 -2.611) 6.352 8.584 ( -8.894 6.028 11.016) 15.388 8.869 ( -5.053 1.831 4.891) 7.267 10.876 ( 0.976 1.456 -17.023) 17.113 11.444 ( -1.590 -4.197 3.166) 5.492 12.075 ( 0.246 0.151 19.528) 19.530 12.391 ( -3.125 -10.995 -3.060) 11.833 14.208 ( 0.015 10.203 0.418) 10.211 14.988 ( 2.131 -0.533 -6.446) 6.810 15.438 ( -1.042 -3.482 -16.619) 17.012 17.092 ( -1.842 0.714 25.407) 25.484 20.901 ( -2.277 -3.458 0.182) 4.145 25.863 ( -1.239 3.260 16.420) 16.787 26.346 ( -4.071 -2.745 9.464) 10.662 28.395 ( 2.358 -2.049 -2.723) 4.144 28.579 ( -6.911 -18.073 -4.238) 19.808 29.899 ( -7.240 -7.587 -0.276) 10.490 31.357 ( 17.361 23.009 -15.109) 32.543 ======================= Grid point 96 (34/150) ======================= q-point: ( 0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -12.446 12.358 14.000) 22.442 2.795 ( 14.735 -26.976 -4.234) 31.028 3.342 ( 0.201 -5.336 11.565) 12.738 3.566 ( -21.051 0.877 9.459) 23.095 4.091 ( 11.893 7.106 -9.321) 16.697 4.614 ( -3.264 7.841 6.596) 10.754 4.763 ( 8.115 -2.741 5.958) 10.433 5.312 ( 2.151 2.144 4.315) 5.277 5.716 ( 6.063 6.120 0.707) 8.644 6.015 ( 6.555 -0.977 -7.285) 9.849 6.225 ( 4.998 -3.708 -8.951) 10.902 6.446 ( 4.400 -1.855 -0.159) 4.778 6.608 ( -1.950 5.519 -11.134) 12.579 6.885 ( 1.723 5.473 3.010) 6.480 7.063 ( -6.630 1.009 4.330) 7.983 7.203 ( -2.050 1.596 4.607) 5.289 7.810 ( -3.657 -5.573 -2.938) 7.285 7.987 ( 1.566 -5.567 0.824) 5.842 8.214 ( -4.957 4.787 1.047) 6.970 8.347 ( -7.278 8.199 8.098) 13.630 8.836 ( -4.870 -3.054 6.587) 8.742 10.848 ( 0.520 2.283 -19.638) 19.777 11.524 ( -0.505 -5.064 2.532) 5.684 12.069 ( -0.082 0.542 22.419) 22.426 12.519 ( -1.292 -5.647 -2.420) 6.278 14.072 ( 0.715 5.298 -8.154) 9.750 15.026 ( 1.743 -0.948 -5.771) 6.103 15.472 ( -0.846 -1.443 -17.905) 17.983 17.074 ( -0.630 -0.039 26.809) 26.817 20.929 ( -1.279 -1.906 0.369) 2.325 25.817 ( -0.591 1.141 13.263) 13.326 26.363 ( -0.497 -1.669 6.998) 7.212 28.436 ( 1.358 -0.549 -1.852) 2.361 28.818 ( -1.776 -12.982 -6.600) 14.671 29.966 ( -10.777 -10.033 -1.064) 14.763 31.111 ( 13.036 21.184 -8.695) 26.350 ======================= Grid point 97 (35/150) ======================= q-point: (-0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -6.689 -3.062 21.816) 23.023 3.007 ( -30.004 3.883 4.217) 30.547 3.351 ( 7.226 -2.984 4.295) 8.920 3.728 ( 9.841 -15.481 -2.369) 18.497 4.099 ( 2.793 12.169 -7.488) 14.559 4.317 ( 2.989 -3.803 -2.173) 5.303 5.067 ( 5.015 -6.893 10.140) 13.247 5.186 ( 4.313 14.755 10.066) 18.375 5.648 ( -1.528 0.430 5.246) 5.481 6.074 ( 4.112 7.792 -7.701) 11.701 6.344 ( 0.680 3.548 -6.175) 7.154 6.447 ( 8.375 0.063 -6.377) 10.527 6.579 ( 2.585 -3.039 -4.220) 5.808 6.725 ( -2.045 8.007 -2.069) 8.519 6.965 ( 0.577 -1.598 7.637) 7.823 7.303 ( 0.519 -6.312 3.050) 7.030 7.854 ( -6.750 -4.482 -4.491) 9.264 7.981 ( -10.505 2.664 1.937) 11.009 8.103 ( -6.076 3.034 2.131) 7.118 8.276 ( 7.104 -5.370 8.998) 12.660 8.856 ( -3.418 -3.533 5.917) 7.693 10.814 ( -0.054 1.493 -20.921) 20.974 11.602 ( 0.972 -2.936 3.069) 4.358 12.055 ( -0.907 0.380 23.797) 23.817 12.576 ( -0.100 -1.653 -1.290) 2.099 14.023 ( 1.012 1.210 -13.783) 13.873 15.046 ( 1.110 0.600 -5.265) 5.414 15.476 ( -1.302 -0.295 -19.038) 19.085 17.078 ( 0.167 -0.681 28.478) 28.486 20.949 ( -0.235 -1.231 0.447) 1.331 25.801 ( -0.352 0.145 11.902) 11.908 26.396 ( 1.824 -1.208 6.426) 6.788 28.445 ( 0.282 0.423 -1.749) 1.821 29.016 ( 5.064 -7.005 -7.454) 11.413 30.031 ( -14.833 -11.696 -2.734) 19.087 30.865 ( 9.000 18.427 -5.411) 21.209 ======================= Grid point 98 (36/150) ======================= q-point: (-0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.595 -10.218 21.074) 23.428 2.682 ( -22.821 -10.264 4.794) 25.478 3.077 ( -2.159 31.831 0.003) 31.904 3.838 ( -1.297 -1.343 -5.829) 6.121 4.321 ( 7.372 -14.275 1.525) 16.138 4.553 ( 11.085 6.438 4.991) 13.756 4.811 ( 6.405 4.564 5.125) 9.387 5.264 ( -7.311 -10.242 4.542) 13.379 5.608 ( -2.375 2.100 4.624) 5.606 5.931 ( 5.559 9.598 -1.752) 11.229 6.210 ( -0.199 7.703 -10.822) 13.286 6.426 ( -0.747 6.973 2.421) 7.419 6.687 ( 4.939 -4.218 -8.449) 10.657 6.721 ( -0.510 -4.314 -2.877) 5.210 7.116 ( 6.866 -7.485 7.801) 12.807 7.387 ( 4.124 -0.013 1.544) 4.403 7.763 ( -11.091 3.221 -0.628) 11.567 7.887 ( -8.295 -5.053 -3.203) 10.227 7.997 ( -7.054 0.725 -1.342) 7.217 8.525 ( 10.213 -9.157 12.715) 18.704 8.880 ( -2.250 -2.142 5.818) 6.596 10.798 ( -0.624 -0.260 -19.935) 19.947 11.644 ( 2.463 0.437 3.588) 4.374 12.037 ( -1.724 -0.077 23.303) 23.366 12.584 ( 0.191 0.594 -1.101) 1.266 14.044 ( 1.613 -1.793 -15.355) 15.543 15.023 ( -0.057 2.567 -4.724) 5.377 15.461 ( -1.449 0.127 -20.041) 20.094 17.102 ( 0.972 -1.273 29.254) 29.298 20.971 ( 0.591 -0.972 0.604) 1.288 25.803 ( -0.212 -0.641 11.817) 11.836 26.445 ( 3.159 -1.340 7.343) 8.105 28.428 ( -0.353 1.433 -1.945) 2.442 29.191 ( 13.935 -1.702 -7.677) 16.000 30.067 ( -19.192 -11.390 -5.337) 22.947 30.630 ( 3.763 14.784 -3.732) 15.705 ======================= Grid point 99 (37/150) ======================= q-point: (-0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -12.984 17.633 19.947) 29.621 2.344 ( -3.954 40.778 -1.512) 40.997 3.142 ( -0.599 -38.479 -1.742) 38.523 3.692 ( -0.512 43.159 24.481) 49.622 4.009 ( -5.228 -8.547 6.090) 11.725 4.931 ( 16.042 -12.453 -2.776) 20.497 5.097 ( 2.888 -11.465 -5.609) 13.086 5.356 ( -4.625 -13.283 -0.585) 14.077 5.627 ( 7.608 -1.151 3.296) 8.371 5.810 ( -3.898 2.045 -1.885) 4.788 6.051 ( -3.606 7.993 -13.140) 15.797 6.371 ( 3.017 0.924 6.415) 7.149 6.785 ( 3.316 -2.142 -6.273) 7.412 6.786 ( -1.063 -3.755 1.084) 4.050 7.218 ( -0.774 1.893 5.875) 6.220 7.394 ( 4.857 5.183 -1.678) 7.299 7.668 ( -2.103 -2.684 1.049) 3.567 7.855 ( -14.992 -2.936 -0.990) 15.308 7.975 ( 1.044 -2.740 -9.834) 10.262 8.773 ( 7.554 -6.606 14.438) 17.583 8.884 ( -2.257 -1.076 7.915) 8.301 10.807 ( -0.731 -1.421 -17.371) 17.444 11.633 ( 2.568 3.716 4.074) 6.083 12.026 ( -1.554 -0.747 21.899) 21.967 12.564 ( 0.409 2.001 -3.156) 3.760 14.123 ( 1.700 -5.265 -11.963) 13.181 14.957 ( -1.044 3.681 -4.273) 5.736 15.445 ( -0.858 0.233 -20.685) 20.704 17.147 ( 1.418 -2.391 29.975) 30.103 20.994 ( 0.963 -0.536 0.493) 1.207 25.822 ( -0.097 -1.866 12.980) 13.114 26.515 ( 3.238 -2.717 10.017) 10.872 28.388 ( -0.475 2.385 -2.275) 3.330 29.398 ( 27.124 1.583 -8.812) 28.563 30.017 ( -24.832 -7.743 -8.130) 27.252 30.400 ( -3.864 10.829 -3.348) 11.975 ======================= Grid point 100 (38/150) ======================= q-point: (-0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.000 21.346 24.628) 32.591 1.577 ( 0.000 38.491 7.826) 39.278 2.775 ( 0.000 51.074 37.106) 63.130 3.716 ( -0.000 -20.793 -12.855) 24.446 4.330 ( -0.000 -25.947 8.418) 27.278 5.089 ( 0.000 7.475 -2.752) 7.966 5.170 ( -0.000 -8.065 -5.823) 9.948 5.692 ( -0.000 -12.466 3.830) 13.041 5.738 ( 0.000 4.314 -9.320) 10.270 5.887 ( -0.000 -19.745 2.881) 19.954 5.943 ( -0.000 -4.671 -3.304) 5.721 6.398 ( -0.000 -2.444 -1.761) 3.012 6.772 ( 0.000 5.875 6.907) 9.068 6.871 ( -0.000 -3.582 -3.367) 4.916 7.119 ( 0.000 4.852 2.248) 5.347 7.312 ( 0.000 5.015 -2.778) 5.733 7.751 ( -0.000 -0.116 -2.070) 2.073 7.757 ( -0.000 -1.662 -1.761) 2.422 8.033 ( -0.000 -2.091 -10.030) 10.246 8.838 ( 0.000 1.996 7.784) 8.035 8.933 ( -0.000 -3.340 15.585) 15.939 10.832 ( -0.000 -1.584 -14.836) 14.921 11.571 ( 0.000 3.761 6.286) 7.325 12.035 ( -0.000 -1.099 20.265) 20.295 12.503 ( 0.000 6.074 -8.635) 10.557 14.294 ( -0.000 -13.596 -2.226) 13.777 14.883 ( 0.000 3.266 -3.978) 5.147 15.435 ( 0.000 0.543 -21.095) 21.102 17.228 ( -0.000 -6.080 32.833) 33.392 20.998 ( 0.000 1.314 -1.006) 1.655 25.879 ( -0.000 -4.841 15.520) 16.258 26.619 ( -0.000 -7.070 15.845) 17.351 28.336 ( 0.000 2.807 -2.726) 3.913 29.714 ( 0.000 3.370 -26.393) 26.607 29.797 ( -0.000 -2.455 -0.005) 2.455 30.155 ( 0.000 10.878 -1.742) 11.016 ======================= Grid point 103 (39/150) ======================= q-point: ( 0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 17.517 -0.000 27.544) 32.643 1.762 ( 30.477 -0.000 19.948) 36.425 2.989 ( 50.462 -0.000 19.993) 54.279 3.876 ( -34.963 0.000 5.056) 35.326 4.679 ( -13.910 0.000 -9.483) 16.835 4.713 ( 6.823 -0.000 -6.047) 9.117 5.072 ( 0.967 -0.000 -1.660) 1.921 5.404 ( -8.374 0.000 -1.920) 8.591 5.691 ( -2.000 0.000 -1.226) 2.346 5.837 ( -2.486 0.000 -3.510) 4.301 6.084 ( 1.444 -0.000 2.065) 2.520 6.461 ( 1.789 -0.000 -8.230) 8.422 6.774 ( 5.670 -0.000 -3.751) 6.798 6.931 ( -8.968 0.000 -5.984) 10.782 7.145 ( -3.543 0.000 7.891) 8.650 7.309 ( 4.177 -0.000 6.128) 7.416 7.580 ( 10.497 -0.000 2.441) 10.777 7.917 ( -0.412 0.000 1.311) 1.374 8.500 ( -6.805 0.000 7.029) 9.784 8.602 ( -6.426 0.000 3.198) 7.178 9.024 ( -9.206 0.000 -13.794) 16.584 10.888 ( 0.743 -0.000 -13.669) 13.689 11.469 ( -1.219 0.000 0.406) 1.285 11.907 ( -0.850 0.000 8.421) 8.464 12.122 ( 1.073 -0.000 16.170) 16.205 14.523 ( -2.223 0.000 10.611) 10.842 15.129 ( -3.890 0.000 -1.949) 4.351 15.178 ( 0.097 -0.000 -16.389) 16.389 17.124 ( -2.184 0.000 21.386) 21.497 20.776 ( -0.178 0.000 0.062) 0.188 26.038 ( -11.949 0.000 29.530) 31.856 26.184 ( 2.308 -0.000 6.969) 7.341 28.043 ( 3.629 -0.000 -2.005) 4.146 28.385 ( 3.328 -0.000 -1.586) 3.687 29.763 ( -4.897 0.000 0.788) 4.960 31.918 ( 9.609 -0.000 -26.880) 28.546 ======================= Grid point 104 (40/150) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 13.475 -14.364 17.296) 26.212 2.198 ( 26.585 -10.141 11.578) 30.718 3.383 ( -20.567 5.201 14.121) 25.484 3.525 ( 9.784 -3.486 11.322) 15.365 4.426 ( 2.541 10.025 -6.361) 12.142 4.707 ( -5.451 11.829 1.614) 13.124 5.019 ( 4.901 -0.052 -3.780) 6.190 5.417 ( 4.531 4.224 -3.086) 6.921 5.615 ( 1.624 -5.607 -0.983) 5.920 6.001 ( -0.054 -7.979 -10.364) 13.080 6.183 ( 3.179 -6.237 -4.962) 8.580 6.459 ( -1.431 0.409 -3.232) 3.559 6.679 ( 2.258 11.020 0.220) 11.251 6.876 ( -0.757 -0.437 -2.690) 2.828 6.998 ( -2.117 4.033 8.602) 9.734 7.514 ( -1.350 -9.314 -1.319) 9.503 7.630 ( 4.754 3.740 0.439) 6.065 7.890 ( -0.417 1.478 1.573) 2.199 8.369 ( -8.750 3.409 1.854) 9.571 8.544 ( -8.221 0.033 7.262) 10.969 8.846 ( -12.747 3.893 -1.270) 13.388 10.896 ( 0.572 0.065 -15.141) 15.152 11.423 ( 1.420 2.282 0.304) 2.705 12.033 ( -0.573 -7.705 9.806) 12.484 12.164 ( -0.654 -6.212 10.263) 12.014 14.412 ( 0.631 9.932 7.209) 12.288 15.017 ( 0.130 2.517 -6.577) 7.043 15.309 ( -2.466 -8.080 -13.008) 15.510 17.103 ( 0.335 1.351 19.669) 19.718 20.811 ( -1.000 -3.583 -0.179) 3.724 25.903 ( -3.824 3.341 19.555) 20.204 26.255 ( 0.002 -3.891 8.083) 8.971 28.216 ( 1.505 -13.444 -3.446) 13.960 28.426 ( 3.077 -0.646 -1.756) 3.602 29.736 ( -5.827 -2.914 1.207) 6.626 31.847 ( 7.147 14.699 -17.881) 24.226 ======================= Grid point 105 (41/150) ======================= q-point: ( 0.44 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -14.197 -0.275 11.222) 18.099 2.581 ( 16.448 -12.386 -2.996) 20.807 3.169 ( -10.982 -7.230 12.160) 17.909 3.476 ( -5.928 6.393 15.779) 18.027 4.296 ( -3.489 7.848 0.834) 8.629 4.701 ( 16.722 -1.081 3.410) 17.101 4.920 ( 1.074 12.066 -4.132) 12.799 5.414 ( 11.420 2.244 -0.337) 11.643 5.861 ( 9.194 -9.343 -0.185) 13.110 6.057 ( 0.020 3.095 -11.432) 11.843 6.235 ( 4.107 2.679 -11.832) 12.808 6.437 ( -0.816 -2.987 -0.104) 3.099 6.651 ( 2.314 -0.912 -2.469) 3.505 6.893 ( -0.947 -3.771 3.485) 5.222 6.944 ( -1.061 0.778 6.490) 6.622 7.435 ( 0.638 15.378 0.625) 15.404 7.665 ( -2.676 -5.764 -1.627) 6.560 7.897 ( -1.554 -3.412 1.274) 3.959 8.208 ( -11.286 2.905 -0.543) 11.666 8.388 ( -9.211 5.823 7.690) 13.337 8.711 ( -8.622 -2.192 6.640) 11.101 10.889 ( 0.349 1.411 -17.644) 17.704 11.445 ( 1.140 -2.832 0.997) 3.212 12.081 ( 0.565 0.297 20.179) 20.189 12.339 ( -1.913 -11.479 -1.603) 11.748 14.231 ( 1.675 10.179 -0.054) 10.316 15.023 ( 1.315 -1.273 -5.793) 6.075 15.401 ( -2.200 -4.783 -15.067) 15.961 17.082 ( 0.520 1.300 22.174) 22.219 20.865 ( -1.149 -3.400 -0.078) 3.590 25.833 ( -1.318 1.682 14.506) 14.663 26.319 ( 0.617 -3.010 7.047) 7.688 28.441 ( 1.790 -2.200 -2.429) 3.735 28.533 ( 1.093 -14.826 -4.974) 15.676 29.736 ( -7.583 -4.588 1.276) 8.954 31.600 ( 7.075 19.509 -11.391) 23.673 ======================= Grid point 106 (42/150) ======================= q-point: ( 0.56 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -21.609 5.901 17.259) 28.278 2.856 ( -15.443 7.926 -0.694) 17.372 3.178 ( 9.458 -22.057 -0.909) 24.016 3.628 ( 10.731 -8.044 14.781) 19.958 4.202 ( -6.780 -4.544 6.848) 10.655 4.459 ( -1.424 22.109 -7.281) 23.321 4.976 ( 4.596 -2.538 2.647) 5.880 5.529 ( 14.851 4.021 2.393) 15.570 5.782 ( 0.840 15.412 -0.709) 15.451 6.195 ( 8.487 -3.891 -7.677) 12.087 6.311 ( 4.076 -5.787 -8.211) 10.840 6.518 ( 2.038 -3.445 -3.896) 5.586 6.621 ( 3.038 4.465 -5.053) 7.395 6.894 ( -1.504 0.966 3.752) 4.156 6.963 ( -2.226 6.632 4.756) 8.459 7.195 ( 2.178 1.011 6.242) 6.689 7.721 ( -3.110 -3.468 -1.135) 4.794 7.898 ( -10.672 0.758 1.426) 10.794 8.059 ( -9.919 -0.067 -1.926) 10.104 8.253 ( 0.784 -0.606 9.719) 9.770 8.717 ( -5.654 -5.800 6.415) 10.333 10.854 ( 0.088 2.499 -19.771) 19.928 11.531 ( 0.799 -4.994 1.743) 5.350 12.066 ( -0.054 1.402 23.051) 23.094 12.496 ( -0.755 -6.999 -2.608) 7.507 14.097 ( 1.311 5.887 -7.607) 9.708 15.062 ( 1.510 -0.770 -5.067) 5.343 15.441 ( -1.790 -2.023 -17.464) 17.671 17.072 ( 0.254 0.144 25.744) 25.746 20.910 ( -0.580 -2.513 0.115) 2.582 25.804 ( -0.522 0.660 12.100) 12.129 26.380 ( 1.488 -2.474 6.337) 6.964 28.459 ( 0.787 0.453 -1.848) 2.059 28.848 ( 3.489 -15.783 -7.624) 17.872 29.738 ( -9.783 -5.480 0.939) 11.252 31.305 ( 5.762 20.093 -7.644) 22.257 ======================= Grid point 107 (43/150) ======================= q-point: (-0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -4.779 -21.348 21.840) 30.912 2.489 ( -13.941 10.425 6.285) 18.508 3.583 ( 12.552 10.482 3.659) 16.758 3.868 ( -2.450 6.108 -7.165) 9.729 3.908 ( -6.588 -16.701 -2.943) 18.193 4.544 ( 8.498 -16.209 6.151) 19.308 5.018 ( -3.414 -2.506 -0.508) 4.265 5.328 ( 3.266 27.869 9.887) 29.751 5.619 ( -1.092 3.704 0.127) 3.864 6.203 ( 8.009 8.257 -1.810) 11.645 6.344 ( -1.843 5.309 -7.033) 9.003 6.580 ( 3.064 1.950 -1.067) 3.785 6.632 ( -0.965 6.697 -2.093) 7.082 6.708 ( 2.479 -0.627 -9.415) 9.756 7.038 ( 5.101 -9.781 8.460) 13.901 7.344 ( 3.557 -8.025 6.229) 10.763 7.676 ( -12.371 2.569 0.374) 12.640 7.761 ( -4.000 -0.748 -0.683) 4.127 7.955 ( -5.632 1.406 -3.866) 6.975 8.425 ( 5.126 -10.495 12.150) 16.853 8.778 ( -3.060 -5.458 4.907) 7.952 10.810 ( -0.141 1.894 -20.470) 20.558 11.626 ( 0.868 -3.982 2.633) 4.852 12.035 ( -0.657 1.368 23.979) 24.027 12.575 ( -0.012 -2.184 -1.418) 2.604 14.046 ( 0.768 1.072 -13.691) 13.754 15.068 ( 0.720 1.535 -4.495) 4.804 15.446 ( -1.063 -0.466 -19.475) 19.510 17.084 ( 0.236 -1.110 28.309) 28.332 20.946 ( -0.031 -1.901 0.364) 1.936 25.795 ( -0.188 -0.017 11.210) 11.212 26.438 ( 1.426 -2.089 6.440) 6.919 28.449 ( 0.093 1.062 -1.881) 2.162 29.175 ( 7.880 -13.532 -9.756) 18.450 29.725 ( -11.615 -5.338 0.318) 12.787 30.994 ( 3.084 19.097 -5.460) 20.100 ======================= Grid point 108 (44/150) ======================= q-point: (-0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.000 3.493 20.550) 20.844 2.443 ( -0.000 -28.133 5.566) 28.678 3.061 ( 0.000 38.591 -1.619) 38.625 3.818 ( -0.000 -5.380 -0.834) 5.444 4.356 ( 0.000 0.918 0.347) 0.982 4.714 ( 0.000 4.139 9.213) 10.100 5.024 ( -0.000 -13.023 9.104) 15.890 5.031 ( -0.000 -2.183 -6.540) 6.895 5.580 ( -0.000 -1.487 3.413) 3.722 6.035 ( 0.000 15.350 -1.410) 15.414 6.199 ( 0.000 8.613 -13.130) 15.703 6.434 ( 0.000 4.776 5.254) 7.100 6.689 ( -0.000 -5.157 1.108) 5.275 6.768 ( -0.000 -2.170 -10.999) 11.211 7.215 ( -0.000 -3.699 6.949) 7.872 7.514 ( 0.000 4.218 -0.756) 4.285 7.543 ( -0.000 -8.879 6.453) 10.976 7.744 ( 0.000 0.199 -0.839) 0.862 7.929 ( -0.000 -1.767 -8.539) 8.720 8.655 ( -0.000 -10.491 14.775) 18.121 8.838 ( -0.000 -2.748 4.507) 5.278 10.790 ( 0.000 0.090 -19.404) 19.404 11.677 ( -0.000 -0.545 3.316) 3.360 12.013 ( 0.000 0.393 23.559) 23.562 12.586 ( 0.000 0.524 -1.094) 1.213 14.065 ( -0.000 -2.315 -15.959) 16.126 15.023 ( 0.000 3.541 -4.167) 5.468 15.443 ( 0.000 0.050 -20.521) 20.521 17.114 ( -0.000 -1.879 29.421) 29.481 20.978 ( -0.000 -1.489 0.611) 1.609 25.800 ( -0.000 -0.690 11.466) 11.487 26.485 ( -0.000 -2.200 7.608) 7.919 28.424 ( 0.000 1.747 -2.035) 2.682 29.490 ( -0.000 -12.492 -14.085) 18.827 29.702 ( -0.000 -2.646 1.223) 2.915 30.677 ( 0.000 17.264 -3.977) 17.716 ======================= Grid point 113 (45/150) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 9.541 -0.000 20.682) 22.777 2.412 ( 30.219 -0.000 13.517) 33.104 3.014 ( -38.876 0.000 13.779) 41.245 3.750 ( 12.041 -0.000 -0.110) 12.041 4.504 ( 3.627 -0.000 7.891) 8.685 4.910 ( 3.833 -0.000 -4.627) 6.008 5.075 ( 1.247 -0.000 -0.406) 1.312 5.286 ( 0.127 -0.000 -5.465) 5.467 5.754 ( 7.746 -0.000 -4.939) 9.187 5.860 ( 4.675 -0.000 -6.839) 8.284 6.166 ( 5.226 -0.000 -1.197) 5.361 6.493 ( 1.316 -0.000 -8.508) 8.609 6.755 ( -6.924 0.000 -6.898) 9.774 6.861 ( 2.219 -0.000 -0.481) 2.271 7.070 ( -3.018 0.000 2.956) 4.224 7.388 ( 3.059 -0.000 6.462) 7.150 7.723 ( 3.398 -0.000 1.657) 3.780 7.899 ( -1.484 0.000 1.266) 1.951 8.272 ( -15.721 0.000 4.870) 16.458 8.462 ( -6.303 0.000 2.386) 6.740 8.725 ( -14.611 0.000 1.770) 14.718 10.901 ( 0.454 -0.000 -14.352) 14.359 11.494 ( 2.389 -0.000 -5.779) 6.253 11.907 ( 0.746 -0.000 7.969) 8.004 12.133 ( -0.006 0.000 17.613) 17.613 14.523 ( 1.458 -0.000 9.289) 9.403 15.048 ( -3.686 0.000 -2.379) 4.387 15.181 ( 0.146 -0.000 -16.289) 16.290 17.131 ( 1.626 -0.000 16.214) 16.296 20.771 ( -0.241 0.000 -0.518) 0.572 25.890 ( -3.804 0.000 18.764) 19.146 26.232 ( 2.086 -0.000 6.824) 7.136 28.122 ( 3.602 -0.000 -2.929) 4.643 28.457 ( 3.201 -0.000 -2.071) 3.813 29.658 ( -4.723 0.000 2.030) 5.141 32.023 ( 2.125 -0.000 -16.027) 16.168 ======================= Grid point 114 (46/150) ======================= q-point: ( 0.44 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -9.685 -1.702 15.085) 18.007 2.599 ( -0.137 0.157 9.466) 9.469 2.919 ( 9.016 -13.876 15.396) 22.603 3.616 ( -8.965 12.242 -1.132) 15.215 4.369 ( -9.312 13.116 11.538) 19.795 4.928 ( 20.580 0.725 0.612) 20.602 5.165 ( 5.907 8.589 -8.660) 13.552 5.432 ( -3.712 -16.866 -4.414) 17.825 5.759 ( 12.687 1.669 0.125) 12.797 6.024 ( 1.577 -5.373 -12.446) 13.648 6.295 ( 5.647 -6.236 -3.735) 9.205 6.433 ( -0.283 6.673 -7.809) 10.276 6.705 ( 0.962 0.835 -4.028) 4.225 6.861 ( -0.844 0.272 1.326) 1.595 6.984 ( 0.578 4.198 7.896) 8.961 7.494 ( 0.326 -6.041 1.130) 6.155 7.707 ( 2.986 5.111 0.899) 5.988 7.853 ( -3.687 1.629 1.813) 4.420 8.068 ( -19.048 1.105 0.586) 19.089 8.385 ( -5.471 2.416 4.467) 7.465 8.593 ( -8.862 -0.177 7.664) 11.718 10.905 ( 0.277 0.138 -15.529) 15.532 11.466 ( 1.961 3.051 -2.811) 4.589 12.044 ( 1.441 -8.972 7.060) 11.507 12.144 ( -1.353 -3.198 14.366) 14.780 14.440 ( 1.561 9.618 6.036) 11.462 15.009 ( -0.692 -0.610 -4.761) 4.850 15.266 ( -1.446 -6.847 -14.110) 15.750 17.127 ( 1.337 2.042 17.277) 17.449 20.797 ( -0.445 -2.770 -0.593) 2.868 25.846 ( -1.638 1.266 15.261) 15.401 26.276 ( 1.268 -2.457 6.838) 7.376 28.262 ( 2.205 -10.969 -4.007) 11.885 28.486 ( 2.241 0.053 -2.194) 3.137 29.625 ( -4.250 -1.321 2.444) 5.077 31.933 ( 1.970 11.159 -12.465) 16.846 ======================= Grid point 115 (47/150) ======================= q-point: ( 0.56 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -18.200 9.560 16.464) 26.338 2.824 ( 6.042 -18.502 2.853) 19.672 3.029 ( -3.590 14.779 -5.312) 16.110 3.556 ( 10.148 -14.767 24.877) 30.657 4.065 ( -12.806 6.116 6.245) 15.505 4.869 ( 1.805 21.022 -7.368) 22.348 5.060 ( 5.365 4.580 0.427) 7.067 5.708 ( 11.127 -3.063 -8.489) 14.327 5.962 ( 1.055 -5.133 -2.483) 5.798 6.049 ( -0.441 -5.380 -2.950) 6.151 6.351 ( 6.272 1.677 -8.276) 10.519 6.439 ( -0.255 -5.341 -5.617) 7.755 6.707 ( 2.296 2.762 -2.694) 4.490 6.831 ( -3.100 0.448 1.739) 3.582 6.990 ( 3.202 -2.169 9.621) 10.370 7.464 ( 3.279 15.276 0.551) 15.634 7.672 ( 2.466 -0.865 1.351) 2.942 7.803 ( -6.803 -1.278 0.588) 6.947 7.883 ( -14.373 -3.296 0.385) 14.751 8.283 ( -1.091 3.396 7.350) 8.170 8.561 ( -4.531 -4.202 7.635) 9.822 10.893 ( 0.100 1.504 -17.687) 17.751 11.469 ( 0.795 -1.955 -0.110) 2.113 12.096 ( 0.599 1.292 21.491) 21.538 12.309 ( -0.813 -12.038 -2.228) 12.269 14.261 ( 0.912 10.264 -0.382) 10.312 15.044 ( 0.556 -2.378 -4.468) 5.092 15.361 ( -1.206 -4.857 -15.357) 16.152 17.096 ( 0.485 2.013 21.147) 21.248 20.850 ( -0.347 -3.302 -0.357) 3.340 25.814 ( -0.472 1.006 12.780) 12.828 26.339 ( 0.765 -3.137 6.484) 7.244 28.467 ( 0.693 -2.194 -2.560) 3.442 28.571 ( 1.480 -14.212 -5.641) 15.362 29.611 ( -3.500 -1.649 2.564) 4.642 31.690 ( 1.902 17.120 -9.437) 19.641 ======================= Grid point 116 (48/150) ======================= q-point: (-0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -0.000 -1.903 21.169) 21.254 2.673 ( 0.000 16.202 1.991) 16.324 3.315 ( -0.000 -28.477 -2.876) 28.621 3.843 ( 0.000 5.628 0.543) 5.654 3.984 ( -0.000 -12.010 23.031) 25.974 4.479 ( 0.000 16.428 -7.558) 18.083 5.010 ( 0.000 2.538 -0.336) 2.560 5.720 ( 0.000 6.312 -5.371) 8.288 5.771 ( 0.000 16.448 0.312) 16.451 6.296 ( -0.000 -7.858 -6.388) 10.127 6.379 ( 0.000 3.710 -4.102) 5.531 6.530 ( -0.000 -5.018 -4.006) 6.421 6.682 ( -0.000 -0.125 -6.764) 6.765 6.858 ( -0.000 -8.346 7.291) 11.082 6.950 ( 0.000 14.615 3.359) 14.996 7.265 ( 0.000 0.638 7.187) 7.215 7.664 ( 0.000 2.900 0.415) 2.930 7.737 ( 0.000 0.329 1.484) 1.520 7.918 ( -0.000 -3.032 -4.307) 5.267 8.290 ( -0.000 -5.277 11.561) 12.708 8.643 ( -0.000 -6.770 5.438) 8.683 10.854 ( 0.000 2.615 -19.622) 19.796 11.542 ( -0.000 -4.970 1.423) 5.170 12.066 ( 0.000 2.020 23.278) 23.366 12.488 ( -0.000 -7.492 -2.801) 7.998 14.113 ( 0.000 6.051 -7.493) 9.631 15.080 ( -0.000 -0.838 -4.344) 4.424 15.418 ( -0.000 -2.167 -17.764) 17.896 17.076 ( 0.000 0.306 25.464) 25.466 20.904 ( -0.000 -2.710 0.003) 2.710 25.798 ( 0.000 0.505 11.513) 11.524 26.400 ( -0.000 -2.847 6.194) 6.817 28.468 ( 0.000 0.830 -1.932) 2.102 28.901 ( -0.000 -18.541 -8.659) 20.463 29.619 ( -0.000 -1.762 2.396) 2.975 31.364 ( 0.000 19.407 -7.228) 20.709 ======================= Grid point 123 (49/150) ======================= q-point: ( 0.44 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -8.893 0.000 17.354) 19.500 2.508 ( -7.536 0.000 21.511) 22.793 2.994 ( 23.045 -0.000 15.337) 27.682 3.590 ( -16.108 0.000 -14.660) 21.780 4.620 ( 1.236 -0.000 20.711) 20.748 4.872 ( -2.934 0.000 -0.962) 3.088 5.219 ( 8.451 -0.000 -2.897) 8.933 5.356 ( 2.741 -0.000 -10.724) 11.069 5.914 ( 4.019 -0.000 -10.073) 10.845 5.992 ( 5.352 -0.000 -10.504) 11.789 6.300 ( 6.808 -0.000 -5.152) 8.538 6.517 ( 0.810 -0.000 -4.425) 4.499 6.666 ( -1.664 0.000 -1.369) 2.154 6.867 ( -0.887 0.000 -0.123) 0.895 7.052 ( 1.750 -0.000 1.838) 2.538 7.432 ( 1.092 -0.000 6.843) 6.929 7.755 ( 0.379 -0.000 1.890) 1.928 7.765 ( -13.257 0.000 3.351) 13.674 7.974 ( -4.851 0.000 -1.169) 4.990 8.361 ( -2.781 0.000 1.338) 3.086 8.524 ( -4.412 0.000 10.303) 11.208 10.907 ( 0.131 -0.000 -14.737) 14.738 11.536 ( 1.198 -0.000 -7.869) 7.960 11.927 ( 0.729 -0.000 6.693) 6.733 12.128 ( -0.296 0.000 19.444) 19.446 14.557 ( 1.181 -0.000 9.475) 9.548 14.986 ( -1.774 0.000 -3.596) 4.010 15.183 ( 0.073 -0.000 -16.215) 16.215 17.162 ( 0.933 -0.000 15.303) 15.332 20.767 ( -0.116 0.000 -0.887) 0.894 25.843 ( -0.953 0.000 14.899) 14.929 26.264 ( 0.839 -0.000 6.719) 6.771 28.180 ( 1.563 -0.000 -3.619) 3.942 28.507 ( 1.302 -0.000 -2.275) 2.621 29.583 ( -2.008 0.000 2.935) 3.556 32.044 ( 0.314 -0.000 -12.029) 12.034 ======================= Grid point 124 (50/150) ======================= q-point: (-0.44 -0.56 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 6.731 17.690) 18.927 2.567 ( -0.000 -10.390 16.091) 19.154 3.287 ( -0.000 -14.477 24.965) 28.859 3.342 ( 0.000 14.110 -19.361) 23.957 4.244 ( 0.000 19.996 12.730) 23.705 5.182 ( 0.000 1.410 2.186) 2.601 5.221 ( 0.000 14.852 -9.338) 17.544 5.369 ( -0.000 -26.863 -2.575) 26.987 5.978 ( -0.000 -2.920 -10.891) 11.275 6.005 ( 0.000 1.703 -8.121) 8.298 6.364 ( -0.000 -2.386 -7.399) 7.774 6.444 ( 0.000 5.008 -4.188) 6.528 6.721 ( -0.000 -3.387 -0.468) 3.419 6.844 ( 0.000 1.710 -0.230) 1.725 7.015 ( 0.000 3.220 7.565) 8.221 7.541 ( -0.000 -8.501 2.341) 8.817 7.675 ( 0.000 0.053 1.795) 1.796 7.772 ( -0.000 -0.935 2.446) 2.618 7.844 ( 0.000 10.651 -0.476) 10.662 8.330 ( 0.000 2.018 3.332) 3.895 8.498 ( -0.000 -0.250 10.021) 10.024 10.908 ( 0.000 0.149 -15.657) 15.658 11.489 ( 0.000 3.298 -3.605) 4.886 12.070 ( -0.000 -12.362 1.368) 12.437 12.120 ( 0.000 0.700 20.397) 20.409 14.459 ( 0.000 9.762 5.850) 11.381 14.999 ( -0.000 -2.238 -3.974) 4.560 15.251 ( -0.000 -5.928 -14.896) 16.032 17.143 ( 0.000 2.325 16.926) 17.085 20.792 ( -0.000 -2.567 -0.775) 2.681 25.829 ( 0.000 0.884 13.821) 13.849 26.291 ( -0.000 -2.306 6.668) 7.055 28.289 ( -0.000 -10.444 -4.347) 11.312 28.511 ( 0.000 0.207 -2.316) 2.325 29.577 ( -0.000 -0.549 2.997) 3.047 31.951 ( 0.000 10.071 -10.889) 14.833 ======================= Grid point 166 (51/150) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 0.000 36.230) 36.230 1.839 ( 0.000 0.000 42.157) 42.157 2.680 ( 0.000 0.000 56.578) 56.578 3.817 ( 0.000 0.000 -9.748) 9.748 4.603 ( 0.000 0.000 -21.968) 21.968 4.895 ( 0.000 0.000 0.552) 0.552 5.018 ( 0.000 0.000 -13.107) 13.107 5.789 ( 0.000 0.000 -8.718) 8.718 6.016 ( 0.000 0.000 -3.493) 3.493 6.040 ( 0.000 0.000 -9.729) 9.729 6.339 ( 0.000 0.000 11.180) 11.180 6.395 ( 0.000 0.000 -18.405) 18.405 6.425 ( 0.000 0.000 1.562) 1.562 7.151 ( 0.000 0.000 -0.324) 0.324 7.218 ( 0.000 0.000 6.875) 6.875 7.235 ( 0.000 0.000 -2.769) 2.769 7.576 ( 0.000 0.000 11.077) 11.077 7.719 ( 0.000 0.000 -0.497) 0.497 8.092 ( 0.000 0.000 -0.935) 0.935 8.863 ( 0.000 0.000 5.958) 5.958 9.041 ( 0.000 0.000 13.682) 13.682 10.592 ( 0.000 0.000 -12.876) 12.876 11.799 ( 0.000 0.000 2.320) 2.320 12.120 ( 0.000 0.000 9.180) 9.180 12.498 ( 0.000 0.000 22.740) 22.740 14.696 ( 0.000 0.000 -7.995) 7.995 14.702 ( 0.000 0.000 -28.145) 28.145 14.856 ( 0.000 0.000 -23.800) 23.800 18.313 ( 0.000 0.000 28.613) 28.613 20.773 ( 0.000 0.000 -2.091) 2.091 26.343 ( 0.000 0.000 13.516) 13.516 27.800 ( 0.000 0.000 -3.467) 3.467 27.931 ( 0.000 0.000 -1.336) 1.336 28.598 ( 0.000 0.000 -6.596) 6.596 29.865 ( 0.000 0.000 -0.952) 0.952 29.890 ( 0.000 0.000 -1.236) 1.236 ======================= Grid point 167 (52/150) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 12.167 -9.654 32.475) 35.998 1.853 ( 5.436 -2.125 38.273) 38.716 3.023 ( 8.753 -28.231 50.339) 58.375 3.745 ( 5.152 10.523 -10.789) 15.927 4.558 ( -2.033 3.580 -13.448) 14.064 4.919 ( -3.276 -2.534 -1.790) 4.512 5.076 ( 0.000 -5.198 -12.829) 13.842 5.575 ( -11.821 16.840 -2.639) 20.743 5.755 ( -5.651 4.927 -5.717) 9.428 5.995 ( -7.376 10.208 -6.173) 14.025 6.175 ( -1.412 9.926 -5.383) 11.379 6.416 ( -7.224 -2.603 -2.606) 8.109 6.652 ( 3.931 -16.521 1.573) 17.055 7.056 ( -2.728 11.327 5.238) 12.775 7.109 ( 2.658 4.850 1.515) 5.734 7.301 ( 6.420 -1.858 4.888) 8.280 7.621 ( -2.987 -5.491 1.971) 6.554 7.802 ( 11.468 3.482 -3.252) 12.418 8.042 ( 4.469 3.793 -1.010) 5.948 9.004 ( -3.591 -10.140 6.487) 12.562 9.051 ( 0.492 -2.104 11.290) 11.495 10.575 ( 0.127 1.918 -13.235) 13.374 11.715 ( -4.508 3.484 6.481) 8.629 12.224 ( -1.273 -9.092 3.659) 9.884 12.506 ( 1.062 -0.382 22.856) 22.883 14.477 ( -2.463 18.519 -17.167) 25.372 14.714 ( 0.158 -1.640 -10.982) 11.105 14.887 ( 2.794 -0.183 -27.078) 27.223 18.131 ( -8.432 9.748 35.665) 37.922 20.842 ( -1.015 -5.959 -4.188) 7.354 26.302 ( 0.664 4.410 14.632) 15.297 27.270 ( -12.934 22.248 16.732) 30.696 28.154 ( -0.637 -7.840 -7.734) 11.031 28.673 ( -26.223 -19.949 -9.221) 34.215 29.887 ( 1.164 -2.702 -1.576) 3.338 30.165 ( 37.900 1.341 -12.154) 39.824 ======================= Grid point 168 (53/150) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 8.956 -17.531 23.340) 30.534 2.156 ( 17.002 -13.923 27.872) 35.493 3.467 ( 3.834 10.761 -4.338) 12.219 3.791 ( 10.759 -24.836 33.482) 43.054 4.393 ( -5.756 10.329 2.613) 12.110 4.783 ( -11.662 8.390 -10.101) 17.562 5.142 ( 3.269 0.881 0.231) 3.393 5.357 ( -10.597 -3.813 -7.729) 13.659 5.505 ( -7.810 9.360 -3.014) 12.558 5.780 ( 0.707 3.571 -6.314) 7.288 6.029 ( -0.966 6.608 -2.418) 7.102 6.390 ( -0.780 0.124 -5.216) 5.275 6.808 ( -4.241 9.838 6.373) 12.466 6.915 ( 2.587 -3.568 2.850) 5.248 7.107 ( -1.250 -5.456 -0.775) 5.651 7.377 ( 4.673 1.699 3.881) 6.307 7.608 ( -2.003 1.086 -9.006) 9.289 7.870 ( 4.845 -2.351 0.848) 5.451 8.081 ( 11.226 2.843 0.481) 11.590 9.014 ( -4.332 1.084 12.005) 12.809 9.111 ( -4.926 -2.450 8.186) 9.863 10.526 ( 0.136 3.505 -14.556) 14.973 11.643 ( -5.424 -1.809 6.625) 8.752 12.363 ( -2.181 -7.692 1.559) 8.146 12.539 ( 2.206 -1.310 21.607) 21.758 14.103 ( -0.595 18.603 -12.738) 22.554 14.751 ( -0.275 -2.194 -14.428) 14.596 14.922 ( 3.839 -0.114 -25.944) 26.227 17.920 ( -6.146 4.111 39.148) 39.841 20.915 ( -1.998 -3.452 -4.592) 6.082 26.222 ( 0.980 4.696 16.674) 17.351 26.869 ( -10.858 8.811 19.215) 23.764 28.258 ( 1.285 -4.067 -6.506) 7.779 28.736 ( -20.295 -14.136 -10.408) 26.833 29.972 ( -0.766 -6.036 -2.432) 6.553 30.445 ( 29.874 8.055 -14.899) 34.341 ======================= Grid point 169 (54/150) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 5.157 -8.830 20.079) 22.533 2.596 ( 8.976 -25.407 13.316) 30.056 3.263 ( 16.424 13.327 1.600) 21.211 3.926 ( -6.065 13.085 6.343) 15.756 4.259 ( -21.812 -1.758 2.771) 22.057 4.740 ( 3.763 -6.268 10.160) 12.517 4.864 ( 1.337 15.390 3.375) 15.813 5.432 ( -3.073 -10.150 1.126) 10.665 5.506 ( 2.069 -6.065 -2.417) 6.849 5.818 ( 3.911 -1.276 -7.632) 8.670 5.942 ( 0.638 -0.175 -4.492) 4.541 6.371 ( 0.063 2.934 -9.372) 9.821 6.602 ( -4.753 5.842 8.101) 11.060 6.879 ( 2.541 7.764 0.941) 8.224 7.201 ( -6.971 -3.744 -3.539) 8.668 7.330 ( -0.173 1.346 4.120) 4.337 7.659 ( 3.820 -3.987 -8.007) 9.726 7.965 ( 4.039 -3.369 4.299) 6.793 8.145 ( 9.905 2.572 0.893) 10.273 8.845 ( -11.441 7.811 12.944) 18.959 9.088 ( -2.124 -0.256 10.556) 10.770 10.454 ( -0.217 4.043 -16.661) 17.146 11.656 ( -3.848 -4.302 5.192) 7.764 12.461 ( -1.151 -5.302 4.708) 7.184 12.584 ( 1.579 -0.854 18.368) 18.455 13.820 ( 0.438 12.157 -14.787) 19.148 14.777 ( -0.520 -1.071 -20.509) 20.543 14.973 ( 3.437 -0.952 -21.521) 21.815 17.837 ( -2.954 0.458 39.276) 39.390 20.934 ( -1.608 -1.167 -3.977) 4.446 26.163 ( 0.834 2.729 17.931) 18.157 26.676 ( -6.479 3.314 15.493) 17.117 28.335 ( 1.700 -2.559 -5.005) 5.872 28.768 ( -11.722 -7.919 -12.225) 18.697 30.077 ( -2.253 -6.814 -3.708) 8.078 30.529 ( 18.246 9.400 -10.570) 23.087 ======================= Grid point 170 (55/150) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -5.032 4.487 28.936) 29.711 3.177 ( 7.132 -24.255 2.571) 25.412 3.471 ( 32.268 -2.006 5.549) 32.803 3.632 ( -6.923 10.507 -3.981) 13.197 3.921 ( -29.531 5.760 3.923) 30.342 4.382 ( -2.547 15.309 -0.546) 15.529 5.122 ( 6.833 -6.813 8.901) 13.127 5.487 ( -3.142 -0.881 11.889) 12.328 5.696 ( 3.103 -8.581 -8.928) 12.766 5.840 ( 2.484 2.853 -2.720) 4.659 6.085 ( 0.721 -11.024 -3.730) 11.660 6.264 ( -0.712 6.831 -9.384) 11.629 6.550 ( -0.232 -3.153 4.069) 5.152 6.719 ( -0.337 10.385 1.004) 10.439 7.121 ( -3.807 1.748 4.527) 6.168 7.348 ( -0.857 -1.452 0.614) 1.794 7.758 ( 2.382 -1.904 -8.532) 9.061 8.079 ( 4.228 -2.535 2.934) 5.736 8.205 ( 5.065 -1.269 4.789) 7.085 8.566 ( -9.636 7.455 13.783) 18.396 9.078 ( -0.579 -0.092 10.484) 10.500 10.392 ( -0.229 1.933 -18.468) 18.570 11.693 ( -1.346 -2.085 5.064) 5.639 12.537 ( -0.212 -3.650 5.739) 6.805 12.589 ( 0.451 1.464 18.104) 18.168 13.674 ( 0.290 4.213 -17.438) 17.942 14.784 ( -0.218 -0.202 -24.251) 24.253 15.015 ( 1.328 -0.581 -18.749) 18.805 17.818 ( -0.833 -0.186 39.405) 39.415 20.934 ( -0.591 -0.214 -3.643) 3.697 26.137 ( 0.326 0.845 18.552) 18.574 26.594 ( -2.152 0.895 12.851) 13.061 28.381 ( 0.800 -0.892 -3.719) 3.907 28.780 ( -3.901 -2.553 -13.942) 14.701 30.155 ( -1.586 -3.442 -5.119) 6.369 30.525 ( 6.664 4.488 -6.807) 10.530 ======================= Grid point 176 (56/150) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 19.906 -0.000 29.374) 35.483 1.915 ( 6.907 -0.000 39.301) 39.903 2.916 ( 23.283 -0.000 51.076) 56.133 3.937 ( 9.992 -0.000 -8.554) 13.153 4.553 ( -5.096 0.000 -20.530) 21.153 4.879 ( -14.789 0.000 -8.537) 17.076 4.942 ( 3.988 -0.000 -0.657) 4.042 5.575 ( -13.304 0.000 -1.665) 13.408 5.816 ( -16.536 0.000 -7.953) 18.349 5.907 ( -11.502 0.000 -9.071) 14.648 6.229 ( -6.218 0.000 -2.661) 6.763 6.297 ( -1.204 0.000 -0.154) 1.214 6.559 ( 8.671 -0.000 0.888) 8.716 7.078 ( -7.276 0.000 1.316) 7.395 7.269 ( 4.276 -0.000 -1.940) 4.696 7.413 ( 13.052 -0.000 6.415) 14.543 7.455 ( -6.450 0.000 9.981) 11.883 7.961 ( 4.447 -0.000 1.950) 4.856 8.205 ( 13.840 -0.000 -14.780) 20.249 8.817 ( -4.224 0.000 5.782) 7.161 9.042 ( -0.062 0.000 12.758) 12.759 10.594 ( 0.144 -0.000 -13.092) 13.093 11.690 ( -8.936 0.000 3.897) 9.749 12.110 ( -0.728 0.000 9.738) 9.765 12.513 ( 1.317 -0.000 22.580) 22.618 14.621 ( -4.356 0.000 -8.042) 9.146 14.702 ( -0.009 0.000 -28.220) 28.220 14.920 ( 3.440 -0.000 -19.334) 19.637 18.085 ( -16.743 0.000 36.431) 40.094 20.767 ( -0.499 0.000 -2.322) 2.375 26.357 ( 1.342 -0.000 13.418) 13.485 27.286 ( -37.549 0.000 19.066) 42.112 27.946 ( 1.373 -0.000 -1.878) 2.326 28.338 ( -4.771 0.000 -0.815) 4.840 29.845 ( -1.830 0.000 -0.095) 1.832 30.658 ( 42.444 -0.000 -26.500) 50.037 ======================= Grid point 177 (57/150) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 12.158 -2.879 31.197) 33.606 2.139 ( 17.745 -8.772 26.119) 32.772 3.414 ( 27.163 -18.894 38.752) 50.956 3.900 ( 6.440 12.402 -5.858) 15.153 4.417 ( -13.825 5.523 -5.498) 15.870 4.737 ( -11.109 -1.087 -8.975) 14.323 5.067 ( -2.220 -7.661 -0.621) 8.000 5.329 ( -6.374 11.480 -2.879) 13.443 5.557 ( -6.399 3.248 -4.041) 8.236 5.878 ( -7.235 1.142 -9.761) 12.204 6.018 ( -4.179 5.688 -6.240) 9.421 6.422 ( 2.079 -3.586 -4.362) 6.017 6.724 ( 4.072 -9.781 1.912) 10.766 6.933 ( -8.794 6.574 5.449) 12.257 7.167 ( 1.835 7.700 5.323) 9.539 7.479 ( 4.623 -1.728 0.666) 4.980 7.553 ( 0.345 -1.251 0.356) 1.345 7.923 ( 1.632 3.871 1.294) 4.396 8.262 ( 9.663 4.643 -8.920) 13.947 8.883 ( -7.733 -8.028 5.937) 12.629 9.041 ( -1.693 -0.441 10.438) 10.583 10.578 ( 0.090 1.893 -13.878) 14.007 11.570 ( -7.569 1.131 6.023) 9.739 12.188 ( -1.612 -7.905 6.070) 10.096 12.537 ( 1.647 -0.915 22.459) 22.538 14.420 ( -1.986 15.520 -11.411) 19.366 14.720 ( 0.518 -1.523 -18.535) 18.605 14.956 ( 2.619 -0.447 -20.995) 21.162 17.891 ( -11.116 2.364 39.432) 41.037 20.811 ( -1.651 -4.603 -3.480) 6.002 26.325 ( 1.282 4.765 15.016) 15.806 26.849 ( -21.237 6.102 23.324) 32.129 28.121 ( -1.714 -12.641 -6.531) 14.332 28.365 ( -3.299 -5.968 -1.868) 7.071 29.853 ( -2.939 -3.444 0.448) 4.549 30.955 ( 29.763 9.260 -25.903) 40.529 ======================= Grid point 178 (58/150) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 12.114 -15.823 17.364) 26.432 2.444 ( 7.456 -6.512 19.337) 21.724 3.640 ( 7.266 11.500 2.267) 13.791 3.963 ( -2.954 -4.262 16.589) 17.381 4.129 ( -8.388 8.120 6.228) 13.232 4.652 ( 3.124 -4.025 3.985) 6.469 5.051 ( -9.880 3.828 4.855) 11.654 5.253 ( 1.847 -3.399 -4.604) 6.014 5.542 ( 9.803 0.997 -6.426) 11.764 5.807 ( 0.485 -0.335 -9.381) 9.400 5.939 ( -3.148 -0.124 -11.359) 11.788 6.467 ( 4.859 2.048 -3.555) 6.360 6.689 ( -6.707 9.515 5.503) 12.877 6.943 ( -0.309 -9.239 1.460) 9.359 7.067 ( -1.665 3.282 2.706) 4.568 7.444 ( 1.290 9.122 1.670) 9.363 7.591 ( 0.785 -5.720 -6.714) 8.855 7.936 ( 2.055 -2.285 3.574) 4.714 8.266 ( 3.086 2.660 -2.702) 4.889 8.831 ( -11.415 2.926 10.954) 16.089 9.024 ( -4.361 -1.818 9.724) 10.811 10.526 ( -0.142 3.689 -15.759) 16.185 11.532 ( -4.223 -3.742 5.109) 7.611 12.322 ( -1.506 -8.082 3.053) 8.770 12.575 ( 1.160 -1.342 21.893) 21.965 14.104 ( 0.743 17.021 -10.842) 20.194 14.758 ( 0.960 -1.461 -18.633) 18.715 14.991 ( 2.052 -0.637 -21.562) 21.669 17.794 ( -4.761 -0.535 39.172) 39.464 20.869 ( -2.090 -3.643 -3.901) 5.732 26.236 ( -0.134 4.803 18.033) 18.663 26.638 ( -8.852 1.152 17.609) 19.743 28.295 ( 2.095 -5.764 -7.175) 9.439 28.468 ( -6.200 -10.829 -5.842) 13.778 29.899 ( -5.052 -5.827 0.445) 7.725 30.987 ( 19.992 14.638 -18.709) 31.048 ======================= Grid point 179 (59/150) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -11.404 2.174 20.550) 23.602 2.806 ( 10.298 -23.227 5.685) 26.035 3.559 ( -17.099 2.670 9.549) 19.766 3.789 ( 5.091 2.714 8.690) 10.431 3.940 ( 8.829 12.867 -2.922) 15.876 4.618 ( -8.886 15.892 -0.557) 18.216 5.103 ( 7.069 -13.371 19.350) 24.560 5.347 ( 2.976 -1.435 -2.193) 3.966 5.646 ( 4.964 -2.121 -7.381) 9.144 5.868 ( 4.102 -2.676 -5.564) 7.412 5.996 ( 5.328 -4.940 -11.332) 13.462 6.435 ( 3.955 8.287 -4.294) 10.137 6.513 ( -2.747 0.659 3.397) 4.418 6.919 ( 1.103 7.878 1.513) 8.097 7.086 ( -3.346 -1.417 -1.307) 3.862 7.317 ( -0.704 1.703 5.709) 5.999 7.708 ( 0.283 -4.616 -5.501) 7.187 8.027 ( 0.935 -5.370 3.175) 6.309 8.224 ( -2.936 1.578 1.566) 3.683 8.600 ( -9.871 7.220 13.336) 18.095 9.019 ( -4.715 -2.853 10.472) 11.833 10.449 ( -0.161 4.122 -17.837) 18.308 11.596 ( -1.704 -5.856 4.213) 7.412 12.443 ( -0.432 -6.259 3.118) 7.005 12.599 ( -0.032 -0.389 20.773) 20.776 13.843 ( 1.681 12.557 -13.478) 18.497 14.787 ( 1.402 -0.314 -22.303) 22.349 15.016 ( 0.498 -0.489 -19.550) 19.562 17.787 ( -1.600 -1.728 39.150) 39.221 20.902 ( -1.368 -2.142 -3.737) 4.519 26.164 ( -0.998 2.417 18.794) 18.975 26.578 ( -2.098 -0.274 13.529) 13.693 28.376 ( 1.879 -1.215 -4.064) 4.640 28.620 ( -2.767 -10.515 -12.047) 16.228 29.949 ( -8.128 -7.129 -0.214) 10.813 30.880 ( 13.604 15.799 -12.628) 24.375 ======================= Grid point 180 (60/150) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -6.484 -7.504 29.599) 31.216 3.101 ( -24.820 -2.918 4.242) 25.348 3.433 ( 4.425 -8.331 1.712) 9.587 3.630 ( 0.488 12.940 -1.367) 13.022 4.099 ( 14.774 -1.551 5.159) 15.725 4.291 ( 3.926 4.693 -0.070) 6.118 5.266 ( -3.372 -0.815 6.700) 7.545 5.359 ( 1.933 1.829 5.082) 5.736 5.693 ( -6.631 -3.822 -5.065) 9.178 5.919 ( 8.633 5.890 -2.453) 10.735 6.182 ( 6.565 -6.146 -11.011) 14.217 6.342 ( 6.010 8.558 -3.549) 11.044 6.560 ( 0.802 -5.370 1.978) 5.779 6.707 ( -0.558 13.297 3.908) 13.871 7.091 ( 1.356 -4.445 5.009) 6.833 7.359 ( 2.078 -2.311 1.795) 3.589 7.731 ( -3.730 -0.451 -6.336) 7.366 8.031 ( -9.414 0.626 2.554) 9.774 8.163 ( -8.496 1.418 4.893) 9.906 8.532 ( 6.469 -5.520 13.468) 15.928 9.029 ( -3.862 -3.283 10.324) 11.501 10.393 ( 0.209 1.682 -18.723) 18.800 11.683 ( 0.314 -3.949 4.540) 6.025 12.534 ( 0.039 -3.664 4.527) 5.824 12.585 ( -0.778 1.389 19.583) 19.647 13.692 ( 1.296 5.474 -16.916) 17.827 14.801 ( 1.841 0.489 -25.120) 25.192 15.011 ( -1.642 0.584 -17.730) 17.816 17.810 ( -0.029 -1.530 39.372) 39.401 20.924 ( -0.307 -1.373 -3.618) 3.882 26.126 ( -1.169 0.501 18.375) 18.419 26.593 ( 1.727 -1.449 12.373) 12.576 28.391 ( 0.088 0.546 -3.572) 3.615 28.783 ( 3.643 -6.742 -14.700) 16.577 29.980 ( -11.695 -7.441 -1.651) 13.960 30.715 ( 8.385 14.844 -8.696) 19.138 ======================= Grid point 181 (61/150) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -1.684 -5.923 25.738) 26.465 2.840 ( -20.108 -7.312 11.621) 24.349 3.082 ( -3.618 30.674 1.421) 30.919 3.766 ( 5.307 -8.874 -0.519) 10.353 4.335 ( -2.267 -22.836 -0.973) 22.969 4.530 ( 22.282 -3.629 -4.526) 23.025 5.068 ( 0.729 19.724 14.664) 24.588 5.352 ( -10.835 -6.176 3.614) 12.985 5.682 ( -5.546 -3.907 -1.357) 6.918 5.837 ( 7.735 12.852 -4.251) 15.591 6.095 ( -0.626 15.966 1.823) 16.082 6.356 ( 5.836 -3.121 -14.779) 16.193 6.580 ( 2.714 -0.769 6.144) 6.761 6.712 ( -1.215 -7.834 -0.242) 7.931 7.243 ( 6.921 -4.982 4.509) 9.646 7.395 ( 4.075 2.577 -0.896) 4.904 7.668 ( -4.254 2.454 -6.071) 7.808 7.927 ( -8.826 -2.037 5.847) 10.781 8.004 ( -12.735 2.307 1.928) 13.085 8.799 ( 10.538 -9.887 12.685) 19.228 9.057 ( -2.382 -3.507 10.715) 11.523 10.399 ( 0.273 -1.950 -17.628) 17.738 11.733 ( 2.120 -0.049 4.846) 5.290 12.539 ( -0.146 2.629 14.376) 14.615 12.570 ( -0.998 -0.501 9.769) 9.832 13.680 ( 0.640 -3.113 -18.319) 18.593 14.810 ( 2.242 0.910 -24.550) 24.669 14.961 ( -3.521 1.765 -18.179) 18.601 17.840 ( 1.039 -1.389 39.277) 39.315 20.947 ( 0.545 -0.898 -3.752) 3.896 26.120 ( -0.970 -1.026 17.735) 17.791 26.666 ( 3.681 -3.406 13.521) 14.421 28.364 ( -0.659 1.925 -4.346) 4.799 28.942 ( 10.551 -2.552 -15.922) 19.271 29.966 ( -15.224 -6.415 -3.436) 16.874 30.522 ( 3.132 12.865 -6.427) 14.718 ======================= Grid point 182 (62/150) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -11.062 14.621 25.091) 31.075 2.457 ( -3.158 30.265 12.251) 32.803 3.128 ( -0.525 -21.541 1.923) 21.633 4.059 ( 5.604 -15.818 7.739) 18.480 4.352 ( -6.948 24.492 22.934) 34.265 4.781 ( 7.525 -2.209 -10.877) 13.409 4.966 ( 3.626 -17.628 -3.597) 18.353 5.353 ( -2.366 -2.198 1.267) 3.469 5.673 ( 5.804 9.995 -7.969) 14.039 5.728 ( 0.820 -2.788 0.927) 3.051 5.883 ( -5.828 1.063 0.611) 5.955 6.431 ( 3.671 -0.007 -8.687) 9.431 6.698 ( 3.617 -6.827 5.923) 9.735 6.822 ( -2.459 -6.174 0.498) 6.664 7.301 ( -0.159 6.309 -1.374) 6.459 7.365 ( 4.352 3.990 1.525) 6.098 7.609 ( 2.334 0.085 -5.715) 6.173 7.823 ( -12.970 1.344 -1.934) 13.182 7.937 ( -3.517 -4.106 6.782) 8.673 9.010 ( 3.381 -3.225 10.430) 11.429 9.130 ( 1.963 -5.083 12.385) 13.531 10.456 ( -0.016 -3.770 -15.583) 16.033 11.732 ( 2.475 2.522 5.229) 6.311 12.491 ( 1.716 3.854 7.153) 8.304 12.537 ( -2.519 1.550 16.041) 16.311 13.821 ( 0.261 -11.869 -16.372) 20.223 14.808 ( 2.228 2.471 -15.674) 16.024 14.890 ( -3.787 0.881 -25.884) 26.175 17.892 ( 1.660 -3.019 39.035) 39.187 20.962 ( 0.786 0.270 -4.334) 4.413 26.145 ( -0.566 -2.731 17.164) 17.389 26.797 ( 3.678 -6.868 16.103) 17.889 28.311 ( -0.575 3.070 -5.328) 6.176 29.098 ( 16.729 1.546 -19.028) 25.383 29.886 ( -17.523 -3.845 -3.496) 18.277 30.312 ( -1.520 11.090 -5.001) 12.260 ======================= Grid point 183 (63/150) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 15.959 30.776) 34.668 1.986 ( 0.000 17.404 27.420) 32.477 3.471 ( -0.000 -16.244 -9.807) 18.975 3.630 ( 0.000 39.255 41.820) 57.357 4.439 ( -0.000 -12.992 0.824) 13.018 4.955 ( -0.000 -12.710 -13.768) 18.738 5.050 ( 0.000 6.728 -0.140) 6.729 5.531 ( 0.000 6.660 -9.108) 11.283 5.596 ( -0.000 -18.648 -15.424) 24.200 5.870 ( -0.000 -9.987 5.450) 11.378 5.927 ( -0.000 -8.416 0.750) 8.450 6.461 ( -0.000 -1.221 -2.749) 3.008 6.862 ( 0.000 2.839 1.148) 3.062 6.866 ( -0.000 -9.363 5.419) 10.818 7.113 ( 0.000 9.408 -2.766) 9.806 7.314 ( 0.000 2.449 3.259) 4.076 7.671 ( -0.000 -0.119 -5.169) 5.170 7.717 ( -0.000 -0.510 -0.743) 0.901 7.973 ( -0.000 -1.906 3.768) 4.223 9.046 ( -0.000 -0.336 11.671) 11.676 9.179 ( 0.000 3.096 8.334) 8.890 10.524 ( -0.000 -3.445 -13.991) 14.409 11.711 ( 0.000 0.768 6.706) 6.750 12.395 ( 0.000 7.912 -1.182) 8.000 12.505 ( 0.000 0.390 23.868) 23.871 14.114 ( -0.000 -19.635 -14.291) 24.286 14.760 ( 0.000 3.249 -7.964) 8.601 14.870 ( -0.000 -0.341 -31.767) 31.768 17.996 ( -0.000 -7.515 38.402) 39.131 20.939 ( 0.000 3.184 -5.184) 6.084 26.210 ( -0.000 -4.636 16.345) 16.990 26.999 ( -0.000 -13.303 18.329) 22.648 28.244 ( 0.000 3.852 -6.304) 7.388 29.148 ( 0.000 9.022 -25.646) 27.187 29.799 ( -0.000 -1.635 0.253) 1.655 30.104 ( 0.000 9.507 -3.061) 9.988 ======================= Grid point 186 (64/150) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 10.088 -0.000 32.960) 34.470 2.241 ( 20.898 -0.000 22.945) 31.035 3.575 ( 32.890 -0.000 33.674) 47.071 4.000 ( -16.562 0.000 5.863) 17.569 4.407 ( -5.499 0.000 -14.239) 15.264 4.566 ( -0.712 0.000 -7.083) 7.119 5.033 ( 3.622 -0.000 -1.408) 3.886 5.365 ( -8.405 0.000 -1.444) 8.528 5.569 ( -4.808 0.000 -8.931) 10.143 5.684 ( -7.325 0.000 -11.666) 13.776 6.175 ( 0.550 -0.000 2.328) 2.392 6.276 ( -0.423 0.000 -7.549) 7.561 6.740 ( 7.780 -0.000 0.166) 7.782 6.857 ( -13.191 0.000 1.747) 13.306 7.299 ( -7.790 0.000 4.747) 9.122 7.378 ( 5.616 -0.000 -0.271) 5.622 7.657 ( 8.764 -0.000 4.792) 9.988 7.970 ( -0.740 0.000 3.488) 3.566 8.387 ( -0.047 0.000 -14.333) 14.333 8.695 ( -7.030 0.000 5.343) 8.830 9.018 ( -2.987 0.000 11.261) 11.650 10.595 ( -0.043 0.000 -13.742) 13.742 11.504 ( -7.090 0.000 3.235) 7.793 12.099 ( -0.180 0.000 10.702) 10.704 12.545 ( 1.567 -0.000 22.636) 22.690 14.564 ( -0.834 0.000 -5.613) 5.674 14.702 ( 0.066 -0.000 -28.399) 28.399 14.958 ( 0.018 -0.000 -14.051) 14.051 17.794 ( -9.163 0.000 39.128) 40.186 20.753 ( -0.823 0.000 -2.877) 2.992 26.395 ( 2.105 -0.000 13.174) 13.341 26.653 ( -21.236 0.000 26.159) 33.693 27.986 ( 2.350 -0.000 -3.288) 4.041 28.337 ( 2.366 -0.000 -3.052) 3.862 29.792 ( -3.050 0.000 2.099) 3.703 31.315 ( 20.728 -0.000 -28.269) 35.054 ======================= Grid point 187 (65/150) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 8.921 -3.855 25.491) 27.281 2.487 ( 15.806 -1.797 15.212) 22.011 3.684 ( -23.213 3.764 15.107) 27.951 3.894 ( 0.669 -2.084 16.425) 16.571 4.340 ( 22.566 5.289 2.713) 23.336 4.664 ( 2.150 1.764 -5.178) 5.878 4.975 ( -4.132 1.312 0.279) 4.344 5.293 ( 0.367 2.470 -7.121) 7.546 5.576 ( 6.261 -6.666 -4.277) 10.096 5.733 ( -4.591 -5.705 -14.565) 16.302 6.037 ( 5.018 9.682 -6.847) 12.876 6.438 ( 0.123 -8.369 -2.230) 8.662 6.689 ( -12.166 1.288 1.062) 12.280 6.837 ( 4.299 -1.878 1.590) 4.953 7.153 ( -2.811 5.717 4.143) 7.600 7.482 ( 1.558 -3.921 -2.375) 4.842 7.660 ( 4.438 7.379 2.698) 9.023 7.939 ( -0.183 1.277 2.964) 3.233 8.299 ( -6.221 2.571 -6.252) 9.187 8.690 ( -9.992 -4.725 5.668) 12.421 8.964 ( -5.570 0.699 11.899) 13.157 10.577 ( -0.166 1.920 -14.828) 14.953 11.449 ( -3.487 -0.947 2.621) 4.464 12.167 ( -0.337 -6.668 7.848) 10.304 12.568 ( 1.213 -0.731 22.891) 22.935 14.405 ( 0.433 14.211 -9.383) 17.035 14.739 ( 1.317 -2.193 -20.438) 20.597 14.976 ( -0.768 -1.981 -16.424) 16.561 17.730 ( -4.033 -0.882 37.969) 38.193 20.779 ( -1.332 -3.445 -3.471) 5.069 26.325 ( -2.653 6.117 18.357) 19.530 26.530 ( -7.480 -3.116 18.321) 20.033 28.116 ( 1.014 -10.385 -6.035) 12.054 28.374 ( 2.229 -1.006 -3.285) 4.095 29.779 ( -3.828 -2.254 3.063) 5.396 31.400 ( 13.899 9.655 -23.139) 28.667 ======================= Grid point 188 (66/150) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -12.086 0.994 15.991) 20.069 2.655 ( 13.492 -6.160 9.746) 17.747 3.394 ( -21.312 2.780 12.624) 24.926 3.878 ( 5.091 0.164 16.735) 17.493 4.293 ( 6.974 13.869 -0.314) 15.527 4.763 ( -0.807 4.490 -0.375) 4.578 4.938 ( 4.477 -3.755 8.667) 10.453 5.339 ( 5.463 -5.014 -6.645) 9.957 5.758 ( 1.640 0.824 -12.650) 12.782 5.853 ( 12.752 -8.402 -4.844) 16.021 5.986 ( 6.948 1.274 -9.527) 11.860 6.466 ( -6.469 0.519 2.432) 6.930 6.594 ( -0.799 2.335 -5.208) 5.763 6.911 ( -1.707 -3.582 0.019) 3.968 7.074 ( 2.347 1.014 4.666) 5.320 7.460 ( 0.762 10.119 1.611) 10.275 7.632 ( 2.862 -3.329 -0.415) 4.409 7.938 ( -2.476 -2.728 2.688) 4.560 8.183 ( -10.190 1.078 -0.569) 10.263 8.595 ( -9.541 2.803 10.475) 14.443 8.905 ( -6.668 -1.920 11.492) 13.424 10.523 ( -0.122 3.718 -16.792) 17.199 11.478 ( -1.123 -4.693 2.418) 5.397 12.304 ( -0.204 -8.133 3.664) 8.922 12.590 ( 0.328 -0.558 23.271) 23.280 14.130 ( 1.542 15.984 -10.287) 19.071 14.793 ( 2.429 -1.401 -20.020) 20.216 14.997 ( -1.393 -1.408 -18.525) 18.630 17.733 ( -1.284 -2.111 37.979) 38.059 20.832 ( -1.361 -3.634 -3.760) 5.403 26.201 ( -2.757 3.724 19.243) 19.793 26.538 ( -1.190 -2.103 13.882) 14.090 28.336 ( 1.545 -10.291 -8.482) 13.425 28.419 ( 0.383 -3.711 -4.870) 6.135 29.783 ( -5.395 -3.267 3.409) 7.169 31.294 ( 9.818 14.814 -17.028) 24.613 ======================= Grid point 189 (67/150) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -16.127 -1.958 24.833) 29.675 2.871 ( -7.568 -2.159 3.338) 8.549 3.256 ( 0.563 -10.196 7.358) 12.586 3.862 ( 3.076 8.767 7.702) 12.068 4.298 ( 9.453 5.899 -0.933) 11.181 4.455 ( -0.906 9.584 8.759) 13.015 5.047 ( -6.682 -4.962 4.079) 9.269 5.500 ( 4.205 -3.938 -7.021) 9.082 5.685 ( 1.166 8.361 -6.994) 10.963 6.066 ( 11.921 -1.014 -3.185) 12.381 6.164 ( 9.884 -5.692 -8.593) 14.281 6.427 ( -1.845 -2.292 -2.090) 3.609 6.530 ( 0.109 3.007 -5.514) 6.282 6.952 ( 2.797 -1.157 3.507) 4.633 7.059 ( 0.237 8.693 4.691) 9.881 7.328 ( 2.464 -0.674 6.112) 6.624 7.698 ( 0.619 -0.970 -0.792) 1.397 7.921 ( -11.936 0.143 0.809) 11.964 8.069 ( -10.070 -0.889 3.704) 10.767 8.506 ( 1.473 -1.966 13.180) 13.407 8.896 ( -6.395 -4.522 10.445) 13.056 10.449 ( 0.091 3.942 -18.388) 18.806 11.579 ( -0.144 -6.598 2.843) 7.186 12.443 ( 0.329 -6.692 1.321) 6.829 12.590 ( -0.666 0.433 23.555) 23.569 13.881 ( 1.571 12.713 -12.977) 18.235 14.834 ( 2.963 0.107 -24.303) 24.483 14.994 ( -2.401 -0.349 -16.791) 16.966 17.769 ( -0.248 -2.498 38.798) 38.879 20.880 ( -0.713 -2.809 -3.705) 4.704 26.131 ( -1.569 1.637 18.294) 18.434 26.576 ( 1.029 -2.076 12.348) 12.564 28.403 ( 0.637 0.285 -3.613) 3.680 28.623 ( 2.017 -13.166 -13.615) 19.047 29.779 ( -7.083 -3.352 3.199) 8.464 31.090 ( 6.428 16.576 -12.480) 21.722 ======================= Grid point 190 (68/150) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -6.053 -19.512 27.874) 34.558 2.680 ( -10.286 5.732 12.073) 16.865 3.557 ( 3.987 6.597 -8.167) 11.230 3.729 ( 7.558 1.991 2.673) 8.260 3.969 ( -10.503 0.473 4.911) 11.604 4.698 ( 19.442 -5.108 2.564) 20.265 5.039 ( -13.423 -8.148 5.893) 16.772 5.467 ( 3.122 16.196 2.512) 16.684 5.562 ( -4.071 -1.880 -6.655) 8.025 6.109 ( 7.147 7.576 -3.577) 11.012 6.304 ( 3.444 -0.537 -6.793) 7.635 6.424 ( 1.646 5.820 -7.391) 9.550 6.553 ( -1.669 -6.741 -2.182) 7.280 6.709 ( 0.684 15.291 7.819) 17.188 7.176 ( 4.527 -9.747 4.462) 11.637 7.455 ( 8.239 -3.298 4.216) 9.825 7.692 ( -2.442 2.520 -0.051) 3.509 7.762 ( -9.574 -0.958 3.079) 10.102 7.932 ( -11.468 2.747 1.877) 11.941 8.704 ( 7.442 -11.052 13.645) 19.072 8.928 ( -5.070 -5.341 9.340) 11.893 10.397 ( 0.152 1.535 -18.504) 18.568 11.694 ( 0.443 -5.255 3.791) 6.495 12.540 ( 0.466 -2.979 2.772) 4.096 12.564 ( -0.954 1.127 21.777) 21.827 13.717 ( 0.773 6.108 -16.817) 17.909 14.854 ( 2.694 0.865 -29.347) 29.483 14.957 ( -2.814 1.323 -13.167) 13.529 17.812 ( 0.159 -2.232 39.268) 39.332 20.920 ( -0.072 -2.108 -3.648) 4.214 26.104 ( -0.679 0.193 17.631) 17.645 26.634 ( 1.418 -2.904 12.282) 12.700 28.390 ( -0.063 1.302 -3.939) 4.149 28.886 ( 4.233 -11.655 -17.299) 21.284 29.756 ( -7.282 -2.589 2.792) 8.218 30.837 ( 2.966 16.464 -9.370) 19.175 ======================= Grid point 191 (69/150) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.000 5.026 17.234) 17.952 2.688 ( -0.000 -22.447 21.299) 30.944 3.049 ( 0.000 34.417 1.542) 34.452 3.823 ( -0.000 -7.908 1.948) 8.144 4.297 ( -0.000 -25.055 -4.999) 25.549 4.829 ( 0.000 1.702 -12.510) 12.625 5.073 ( 0.000 18.754 21.508) 28.536 5.195 ( -0.000 -7.911 7.083) 10.619 5.603 ( -0.000 -5.100 -4.094) 6.540 5.973 ( 0.000 10.868 -6.017) 12.422 6.051 ( 0.000 20.302 3.924) 20.678 6.432 ( -0.000 -2.314 -14.381) 14.566 6.629 ( -0.000 -2.219 6.146) 6.534 6.683 ( -0.000 -7.457 -1.164) 7.547 7.324 ( -0.000 -2.423 2.282) 3.328 7.504 ( 0.000 4.446 -0.126) 4.448 7.659 ( -0.000 -1.929 2.151) 2.889 7.724 ( 0.000 2.565 -0.928) 2.727 7.841 ( -0.000 -3.235 4.057) 5.189 8.972 ( -0.000 -11.429 14.589) 18.533 8.975 ( -0.000 -3.717 8.503) 9.280 10.402 ( -0.000 -1.858 -17.164) 17.264 11.760 ( -0.000 -1.233 4.504) 4.669 12.533 ( 0.000 1.232 25.698) 25.727 12.560 ( 0.000 1.139 -1.184) 1.643 13.689 ( -0.000 -2.771 -18.805) 19.008 14.862 ( 0.000 0.235 -34.182) 34.183 14.893 ( 0.000 3.287 -8.317) 8.943 17.853 ( -0.000 -2.143 39.176) 39.235 20.953 ( -0.000 -1.378 -3.822) 4.063 26.108 ( -0.000 -1.085 17.310) 17.344 26.710 ( -0.000 -4.566 13.658) 14.401 28.357 ( 0.000 2.226 -4.578) 5.091 29.109 ( -0.000 -8.570 -21.318) 22.976 29.741 ( -0.000 -1.516 2.603) 3.013 30.561 ( 0.000 15.128 -6.950) 16.648 ======================= Grid point 196 (70/150) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 3.675 -0.000 26.630) 26.882 2.681 ( 19.788 -0.000 10.148) 22.239 3.417 ( -27.206 0.000 24.022) 36.293 3.875 ( -4.148 0.000 10.673) 11.450 4.646 ( 25.648 -0.000 7.140) 26.623 4.762 ( 9.867 -0.000 -9.304) 13.562 5.054 ( -1.507 0.000 -2.026) 2.525 5.176 ( -7.946 0.000 -4.417) 9.091 5.589 ( 5.148 -0.000 -8.440) 9.887 5.630 ( 1.033 -0.000 -15.056) 15.091 6.259 ( 6.665 -0.000 5.802) 8.837 6.302 ( 3.347 -0.000 -8.664) 9.288 6.567 ( -12.004 0.000 -5.488) 13.199 6.862 ( 3.231 -0.000 0.352) 3.250 7.157 ( -5.104 0.000 2.213) 5.563 7.489 ( 4.618 -0.000 2.103) 5.074 7.770 ( 2.511 -0.000 2.862) 3.808 7.953 ( -0.941 0.000 3.377) 3.506 8.211 ( -15.376 0.000 -7.573) 17.139 8.538 ( -7.295 0.000 4.728) 8.693 8.912 ( -6.134 0.000 13.983) 15.269 10.592 ( -0.266 0.000 -14.650) 14.652 11.414 ( -1.826 0.000 -0.913) 2.042 12.105 ( 0.625 -0.000 11.315) 11.332 12.574 ( 1.068 -0.000 23.184) 23.209 14.581 ( 2.140 -0.000 -4.287) 4.791 14.705 ( 0.137 -0.000 -28.589) 28.589 14.927 ( -2.643 0.000 -9.958) 10.303 17.692 ( -1.536 0.000 36.010) 36.043 20.735 ( -0.778 0.000 -3.453) 3.540 26.346 ( -9.250 0.000 22.730) 24.540 26.439 ( 1.897 -0.000 12.899) 13.038 28.038 ( 2.354 -0.000 -4.989) 5.516 28.397 ( 2.837 -0.000 -3.703) 4.665 29.726 ( -2.971 0.000 4.674) 5.538 31.606 ( 8.384 -0.000 -22.573) 24.079 ======================= Grid point 197 (71/150) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -8.338 3.774 21.998) 23.826 2.803 ( 13.243 4.691 5.985) 15.271 3.218 ( -14.402 -1.220 18.931) 23.818 3.862 ( -0.093 -5.165 19.959) 20.616 4.554 ( -6.933 17.227 5.573) 19.388 4.897 ( 14.245 4.198 -5.171) 15.725 5.022 ( 9.569 0.868 -1.810) 9.777 5.279 ( -1.822 -7.891 -10.524) 13.279 5.686 ( 3.373 -6.200 -7.895) 10.590 5.750 ( 4.637 -9.331 -12.165) 16.017 6.217 ( 10.860 7.620 -4.438) 13.989 6.359 ( -9.091 -1.855 3.268) 9.837 6.556 ( 3.246 -3.780 -9.607) 10.822 6.886 ( -0.334 -0.193 1.532) 1.580 7.109 ( -0.003 0.717 2.633) 2.729 7.540 ( 3.096 -0.682 2.175) 3.845 7.733 ( 3.033 5.753 1.610) 6.700 7.897 ( -4.804 2.804 1.497) 5.760 8.042 ( -15.196 -1.212 -0.500) 15.253 8.504 ( -6.654 -2.457 6.229) 9.440 8.835 ( -5.672 1.253 14.321) 15.454 10.573 ( -0.180 1.824 -15.697) 15.804 11.414 ( -0.395 -1.542 -1.029) 1.895 12.170 ( 0.436 -5.938 8.554) 10.422 12.587 ( 0.574 -0.336 23.680) 23.690 14.426 ( 1.134 14.227 -9.759) 17.290 14.779 ( 2.474 -3.478 -20.187) 20.633 14.931 ( -3.114 -2.916 -13.264) 13.933 17.694 ( -0.193 -1.104 35.674) 35.691 20.757 ( -0.760 -2.909 -3.738) 4.797 26.232 ( -4.020 3.244 20.050) 20.705 26.487 ( 0.488 -2.631 13.318) 13.584 28.145 ( 1.407 -8.879 -7.016) 11.403 28.423 ( 1.961 0.069 -3.808) 4.284 29.706 ( -2.796 -0.893 5.483) 6.219 31.593 ( 5.284 8.644 -19.168) 21.681 ======================= Grid point 198 (72/150) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -11.558 7.547 23.475) 27.232 2.870 ( 4.920 2.691 1.280) 5.753 3.106 ( -5.337 -3.395 14.134) 15.485 4.042 ( 9.443 1.570 16.355) 18.951 4.264 ( -7.752 -3.190 13.465) 15.861 4.735 ( 0.255 17.983 -2.701) 18.186 5.030 ( 1.284 4.333 -3.692) 5.836 5.457 ( 4.384 -5.815 -15.324) 16.967 5.764 ( -0.090 -0.517 -11.744) 11.756 6.050 ( 4.362 -13.723 -3.192) 14.749 6.233 ( 10.969 2.179 -3.248) 11.645 6.334 ( -3.921 -3.538 -1.457) 5.479 6.585 ( -0.105 3.319 -9.412) 9.980 6.877 ( -1.643 -2.089 2.773) 3.841 7.161 ( 5.046 -2.281 6.291) 8.380 7.484 ( 1.579 10.723 1.746) 10.978 7.711 ( 2.407 0.226 2.165) 3.245 7.809 ( -6.165 -0.717 0.723) 6.249 7.933 ( -10.488 -1.377 4.502) 11.496 8.481 ( -1.492 -1.215 10.535) 10.710 8.775 ( -4.439 -1.261 12.293) 13.131 10.522 ( -0.008 3.587 -17.347) 17.714 11.470 ( -0.017 -4.792 0.549) 4.824 12.307 ( 0.207 -8.068 3.536) 8.811 12.593 ( 0.007 0.170 24.516) 24.516 14.157 ( 0.779 15.518 -10.407) 18.701 14.857 ( 3.419 -1.537 -22.068) 22.384 14.943 ( -3.327 -1.939 -14.972) 15.459 17.724 ( 0.002 -2.115 37.114) 37.174 20.813 ( -0.467 -3.632 -3.823) 5.294 26.153 ( -1.339 2.407 18.509) 18.713 26.540 ( 0.442 -2.625 12.662) 12.939 28.358 ( 0.540 -11.093 -9.082) 14.347 28.442 ( 0.981 -2.138 -5.251) 5.754 29.695 ( -2.432 -0.942 5.609) 6.186 31.424 ( 2.892 14.083 -15.472) 21.120 ======================= Grid point 199 (73/150) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -0.000 -5.378 28.601) 29.102 2.754 ( 0.000 7.498 6.458) 9.896 3.318 ( -0.000 -17.859 2.878) 18.089 3.906 ( 0.000 9.057 5.761) 10.733 4.272 ( 0.000 23.120 -2.185) 23.223 4.581 ( -0.000 -15.477 23.374) 28.034 4.943 ( 0.000 4.398 -6.531) 7.874 5.524 ( -0.000 -0.605 -13.272) 13.286 5.706 ( 0.000 7.214 -6.314) 9.587 6.229 ( -0.000 -1.126 -1.441) 1.829 6.301 ( -0.000 -0.925 -5.382) 5.461 6.401 ( -0.000 -6.799 -6.539) 9.434 6.501 ( 0.000 3.626 -9.074) 9.771 6.993 ( -0.000 -10.896 4.945) 11.966 7.075 ( 0.000 18.340 8.998) 20.428 7.411 ( -0.000 -5.204 7.063) 8.773 7.679 ( 0.000 3.206 1.092) 3.387 7.779 ( 0.000 1.450 2.372) 2.780 7.887 ( 0.000 0.113 1.802) 1.806 8.562 ( -0.000 -7.809 13.809) 15.864 8.802 ( -0.000 -4.517 9.599) 10.609 10.451 ( 0.000 3.845 -18.499) 18.894 11.579 ( -0.000 -6.809 2.206) 7.157 12.449 ( -0.000 -6.913 -0.172) 6.915 12.581 ( 0.000 1.011 25.448) 25.468 13.899 ( 0.000 12.713 -12.898) 18.111 14.887 ( 0.000 0.647 -32.063) 32.069 14.945 ( -0.000 -0.753 -8.610) 8.642 17.768 ( -0.000 -2.601 38.636) 38.723 20.872 ( -0.000 -3.049 -3.722) 4.812 26.113 ( 0.000 1.282 17.796) 17.842 26.591 ( -0.000 -2.656 12.072) 12.361 28.409 ( 0.000 0.666 -3.822) 3.880 28.654 ( -0.000 -14.704 -14.469) 20.629 29.695 ( -0.000 -0.922 5.050) 5.134 31.157 ( 0.000 16.530 -12.283) 20.594 ======================= Grid point 206 (74/150) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -6.426 0.000 26.576) 27.342 3.006 ( 9.083 -0.000 -10.069) 13.561 3.085 ( -4.956 0.000 31.859) 32.242 3.757 ( -3.828 0.000 24.478) 24.776 4.836 ( -1.119 0.000 -3.025) 3.226 4.918 ( -1.349 0.000 4.871) 5.055 5.110 ( 0.592 -0.000 -11.131) 11.146 5.165 ( 11.238 -0.000 -0.530) 11.251 5.666 ( 1.341 -0.000 -19.862) 19.908 5.692 ( 2.458 -0.000 -9.654) 9.962 6.254 ( -4.731 0.000 1.488) 4.960 6.401 ( 4.369 -0.000 -6.554) 7.877 6.574 ( 8.133 -0.000 -4.962) 9.527 6.875 ( -1.094 0.000 0.773) 1.339 7.115 ( 1.560 -0.000 1.869) 2.434 7.561 ( 1.906 -0.000 4.171) 4.586 7.794 ( 0.314 -0.000 1.584) 1.615 7.808 ( -15.143 0.000 -0.150) 15.144 7.960 ( -1.321 0.000 1.946) 2.352 8.416 ( -3.468 0.000 4.125) 5.389 8.808 ( -2.852 0.000 15.683) 15.940 10.587 ( -0.161 0.000 -15.339) 15.340 11.401 ( -0.021 0.000 -3.699) 3.700 12.118 ( 0.437 -0.000 11.496) 11.505 12.589 ( 0.350 -0.000 23.748) 23.751 14.633 ( 2.042 -0.000 -3.696) 4.222 14.707 ( 0.075 -0.000 -28.702) 28.702 14.868 ( -2.210 0.000 -8.082) 8.379 17.686 ( 0.250 -0.000 34.076) 34.077 20.723 ( -0.321 0.000 -3.799) 3.812 26.226 ( -2.607 0.000 20.211) 20.378 26.468 ( 0.761 -0.000 12.717) 12.740 28.076 ( 1.016 -0.000 -6.187) 6.270 28.442 ( 1.190 -0.000 -3.933) 4.109 29.679 ( -1.261 0.000 6.436) 6.558 31.711 ( 2.233 -0.000 -19.099) 19.229 ======================= Grid point 207 (75/150) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.000 8.102 25.942) 27.178 3.009 ( 0.000 4.790 -10.625) 11.655 3.032 ( 0.000 1.246 26.926) 26.954 3.885 ( -0.000 -14.407 29.036) 32.414 4.445 ( 0.000 20.946 6.475) 21.924 5.013 ( 0.000 10.772 -8.782) 13.898 5.135 ( 0.000 3.511 -6.982) 7.815 5.293 ( -0.000 -14.954 -7.090) 16.550 5.730 ( -0.000 -2.453 -11.510) 11.769 5.799 ( -0.000 -12.718 -11.306) 17.017 6.242 ( -0.000 -1.836 -1.087) 2.134 6.368 ( 0.000 4.521 -3.672) 5.824 6.636 ( 0.000 0.308 -6.625) 6.632 6.859 ( 0.000 0.644 1.490) 1.623 7.145 ( -0.000 -1.745 3.288) 3.722 7.589 ( -0.000 -0.645 1.671) 1.791 7.700 ( 0.000 0.805 0.641) 1.029 7.821 ( -0.000 -1.568 1.794) 2.383 7.877 ( 0.000 6.122 4.760) 7.755 8.432 ( -0.000 -2.648 6.150) 6.696 8.768 ( 0.000 2.110 14.939) 15.087 10.571 ( 0.000 1.725 -16.061) 16.153 11.413 ( -0.000 -1.577 -2.351) 2.831 12.176 ( -0.000 -5.732 8.665) 10.389 12.593 ( -0.000 -0.157 24.084) 24.084 14.440 ( 0.000 14.457 -10.360) 17.786 14.827 ( -0.000 -5.377 -23.783) 24.383 14.874 ( -0.000 -1.948 -8.065) 8.297 17.696 ( -0.000 -0.944 34.887) 34.900 20.749 ( -0.000 -2.769 -3.865) 4.754 26.189 ( 0.000 2.232 19.236) 19.365 26.496 ( -0.000 -2.234 12.837) 13.030 28.162 ( -0.000 -8.517 -7.564) 11.391 28.445 ( 0.000 0.299 -3.939) 3.950 29.674 ( -0.000 -0.264 6.496) 6.502 31.646 ( 0.000 8.195 -17.690) 19.496 ======================= Grid point 249 (76/150) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 0.000 34.121) 34.121 2.671 ( 0.000 0.000 37.587) 37.587 3.617 ( 0.000 0.000 -8.807) 8.807 3.644 ( 0.000 0.000 32.957) 32.957 4.174 ( 0.000 0.000 -18.656) 18.656 4.710 ( 0.000 0.000 -17.010) 17.010 5.010 ( 0.000 0.000 13.005) 13.005 5.538 ( 0.000 0.000 -13.014) 13.014 5.812 ( 0.000 0.000 -10.633) 10.633 5.868 ( 0.000 0.000 -9.094) 9.094 6.006 ( 0.000 0.000 -18.270) 18.270 6.572 ( 0.000 0.000 10.480) 10.480 6.590 ( 0.000 0.000 11.721) 11.721 7.084 ( 0.000 0.000 -11.122) 11.122 7.142 ( 0.000 0.000 -1.576) 1.576 7.388 ( 0.000 0.000 9.061) 9.061 7.699 ( 0.000 0.000 -1.806) 1.806 7.730 ( 0.000 0.000 1.320) 1.320 8.177 ( 0.000 0.000 11.490) 11.490 8.974 ( 0.000 0.000 3.863) 3.863 9.328 ( 0.000 0.000 13.692) 13.692 10.339 ( 0.000 0.000 -11.639) 11.639 11.880 ( 0.000 0.000 5.922) 5.922 12.345 ( 0.000 0.000 11.873) 11.873 12.975 ( 0.000 0.000 22.890) 22.890 14.063 ( 0.000 0.000 -31.791) 31.791 14.351 ( 0.000 0.000 -24.360) 24.360 14.490 ( 0.000 0.000 -11.826) 11.826 18.924 ( 0.000 0.000 29.472) 29.472 20.668 ( 0.000 0.000 -8.366) 8.366 26.672 ( 0.000 0.000 17.721) 17.721 27.715 ( 0.000 0.000 -4.729) 4.729 27.909 ( 0.000 0.000 -0.532) 0.532 28.425 ( 0.000 0.000 -9.889) 9.889 29.845 ( 0.000 0.000 -0.899) 0.899 29.863 ( 0.000 0.000 -1.284) 1.284 ======================= Grid point 250 (77/150) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 6.778 -7.195 31.571) 33.083 2.624 ( 2.478 3.246 35.408) 35.643 3.526 ( 3.633 10.590 -6.885) 13.143 3.893 ( 5.725 -19.217 24.856) 31.935 4.249 ( 1.932 -6.225 -14.205) 15.629 4.726 ( -3.290 -2.153 -15.103) 15.607 5.073 ( 2.411 -5.901 13.488) 14.918 5.429 ( -8.360 9.271 -10.841) 16.534 5.561 ( -3.610 10.982 -7.245) 13.643 5.894 ( -7.751 -0.378 -8.942) 11.840 5.994 ( 1.650 3.582 -10.157) 10.896 6.487 ( -9.307 4.263 9.578) 14.018 6.686 ( 2.216 -8.300 3.367) 9.227 7.030 ( 1.731 5.217 -7.815) 9.554 7.117 ( 1.793 2.578 -1.051) 3.311 7.429 ( 7.039 1.264 7.242) 10.178 7.628 ( -5.486 5.293 -4.782) 8.998 7.766 ( 5.998 -0.568 0.364) 6.036 8.171 ( 2.037 -0.238 13.841) 13.992 9.086 ( -3.053 -10.961 2.031) 11.558 9.322 ( -0.285 0.589 13.415) 13.431 10.318 ( -0.109 2.229 -11.619) 11.832 11.847 ( -3.952 0.891 7.161) 8.228 12.375 ( -0.265 -3.194 9.865) 10.373 12.986 ( 0.697 -0.787 23.012) 23.036 13.985 ( -0.093 9.068 -28.410) 29.822 14.277 ( -0.475 5.754 -25.720) 26.360 14.521 ( 2.512 -1.459 -12.552) 12.884 18.841 ( -4.619 4.764 32.694) 33.360 20.703 ( -0.668 -3.489 -9.684) 10.315 26.641 ( 0.569 3.363 17.795) 18.119 27.511 ( -7.639 11.755 7.373) 15.840 27.986 ( -0.128 -5.231 -7.774) 9.371 28.469 ( -10.531 -9.236 -10.602) 17.568 29.859 ( 2.816 -1.129 -0.953) 3.180 29.998 ( 17.039 -1.550 -5.300) 17.912 ======================= Grid point 251 (78/150) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 4.484 -7.073 26.304) 27.605 2.750 ( 12.122 -9.242 28.415) 32.245 3.368 ( 4.424 9.935 -1.932) 11.046 4.171 ( -4.310 -4.248 -6.660) 8.999 4.432 ( 0.493 -3.000 1.492) 3.386 4.701 ( 3.588 -3.594 1.736) 5.367 5.114 ( -4.450 10.761 -5.668) 12.951 5.311 ( 1.693 -12.322 12.072) 17.333 5.386 ( -4.261 3.136 -5.138) 7.375 5.760 ( -6.579 2.438 -1.764) 7.235 5.929 ( -4.980 2.926 -4.944) 7.603 6.315 ( -2.513 5.885 -0.167) 6.402 6.795 ( -2.203 -1.457 -3.254) 4.191 6.968 ( 1.373 4.063 -1.038) 4.412 7.113 ( 0.736 -0.544 -0.640) 1.116 7.435 ( -2.526 5.754 -2.545) 6.780 7.486 ( 4.033 -0.204 2.044) 4.527 7.890 ( 9.506 -3.329 -0.286) 10.076 8.215 ( 2.575 -0.651 13.388) 13.649 9.198 ( -7.584 -4.802 3.197) 9.529 9.300 ( -0.855 0.326 11.995) 12.030 10.254 ( -0.649 4.358 -11.828) 12.622 11.790 ( -5.455 -0.885 8.052) 9.766 12.440 ( -0.675 -4.150 6.398) 7.656 13.018 ( 1.403 -1.455 23.192) 23.280 13.746 ( 0.687 15.787 -21.154) 26.405 14.181 ( 0.214 4.565 -31.760) 32.087 14.589 ( 2.993 -2.631 -12.942) 13.542 18.715 ( -4.382 2.863 36.668) 37.040 20.754 ( -1.319 -2.898 -11.034) 11.485 26.582 ( 1.120 3.556 18.116) 18.495 27.229 ( -9.102 8.539 14.843) 19.393 28.082 ( 0.871 -5.009 -10.020) 11.236 28.504 ( -11.307 -7.109 -11.616) 17.701 29.931 ( 2.292 -3.436 -1.230) 4.309 30.202 ( 18.869 1.346 -8.938) 20.922 ======================= Grid point 252 (79/150) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 3.597 -13.263 15.934) 21.042 3.042 ( 5.692 -8.159 22.015) 24.159 3.338 ( 15.220 1.310 7.263) 16.915 3.978 ( -7.309 15.114 -3.090) 17.070 4.267 ( -14.446 3.457 1.907) 14.976 4.761 ( 2.171 20.828 -4.071) 21.333 5.009 ( 4.907 -10.733 2.183) 12.001 5.370 ( -3.690 -5.222 -6.224) 8.923 5.556 ( 1.032 -6.270 2.231) 6.735 5.761 ( -6.374 -4.986 -1.063) 8.162 5.856 ( 0.013 -6.127 3.179) 6.902 6.202 ( 3.549 7.974 -6.738) 11.027 6.722 ( -5.085 4.399 2.762) 7.269 6.898 ( 2.852 4.309 0.813) 5.231 7.118 ( -5.692 -4.627 -3.350) 8.065 7.405 ( 2.740 -0.073 2.522) 3.725 7.564 ( 4.215 -2.602 0.172) 4.956 8.063 ( 8.130 -4.634 2.146) 9.601 8.235 ( 3.278 1.084 10.630) 11.177 9.073 ( -10.826 6.062 8.291) 14.923 9.305 ( -1.493 -1.141 10.006) 10.181 10.152 ( -1.374 5.263 -12.574) 13.700 11.781 ( -4.119 -3.574 7.263) 9.082 12.502 ( -0.639 -3.157 3.150) 4.505 13.061 ( 1.396 -1.353 23.471) 23.551 13.483 ( 1.514 13.269 -17.506) 22.019 14.110 ( 0.079 3.404 -36.541) 36.699 14.669 ( 2.484 -2.587 -13.297) 13.772 18.654 ( -2.314 0.300 38.237) 38.308 20.779 ( -1.183 -1.353 -11.197) 11.341 26.545 ( 1.395 1.856 18.750) 18.893 27.019 ( -6.872 5.154 16.586) 18.678 28.184 ( 2.080 -4.350 -9.769) 10.894 28.491 ( -8.555 -3.066 -13.514) 16.285 30.019 ( 1.178 -3.739 -1.627) 4.245 30.329 ( 12.853 2.911 -8.536) 15.702 ======================= Grid point 253 (80/150) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -1.661 -3.432 20.046) 20.406 3.276 ( 3.127 -14.276 10.665) 18.092 3.528 ( 11.980 6.538 4.764) 14.456 3.707 ( 5.658 3.557 4.306) 7.950 4.012 ( -19.302 3.970 5.924) 20.577 4.436 ( 0.370 11.962 4.576) 12.812 5.182 ( 2.028 -3.369 -1.440) 4.188 5.458 ( 2.214 -4.174 -10.414) 11.435 5.557 ( -4.303 1.158 -9.000) 10.043 5.802 ( 0.160 -4.304 0.464) 4.332 5.974 ( 0.156 0.296 -6.739) 6.747 6.126 ( -0.140 1.922 -7.230) 7.482 6.660 ( -3.210 -4.960 5.406) 8.008 6.822 ( 3.991 8.533 7.818) 12.242 7.233 ( -2.237 -11.351 2.109) 11.760 7.391 ( 1.253 5.276 7.747) 9.457 7.633 ( 1.939 -0.817 -0.716) 2.222 8.151 ( 1.023 0.219 3.687) 3.832 8.327 ( 6.805 -4.307 7.190) 10.796 8.823 ( -8.784 6.796 10.335) 15.171 9.305 ( -0.480 -0.248 10.666) 10.680 10.060 ( -0.865 2.632 -13.563) 13.843 11.813 ( -1.474 -2.307 6.911) 7.433 12.537 ( -0.234 -1.093 0.184) 1.133 13.087 ( 0.505 -0.244 23.243) 23.250 13.325 ( 0.878 4.886 -15.142) 15.935 14.065 ( -0.034 1.345 -39.362) 39.385 14.723 ( 0.968 -1.065 -13.534) 13.610 18.641 ( -0.645 -0.234 38.647) 38.654 20.784 ( -0.458 -0.340 -10.982) 10.997 26.539 ( 0.769 0.408 19.565) 19.584 26.903 ( -2.675 1.863 16.178) 16.503 28.272 ( 2.067 -2.227 -7.290) 7.898 28.448 ( -4.215 -0.237 -16.946) 17.464 30.079 ( 0.252 -1.691 -2.033) 2.657 30.377 ( 4.562 1.508 -7.185) 8.644 ======================= Grid point 259 (81/150) ======================= q-point: ( 0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 12.064 -0.000 29.424) 31.801 2.687 ( 1.744 -0.000 34.139) 34.183 3.765 ( 12.881 -0.000 -7.206) 14.759 3.791 ( 13.058 -0.000 26.564) 29.600 4.166 ( -0.165 0.000 -13.694) 13.695 4.655 ( -5.879 0.000 -13.052) 14.315 5.038 ( 2.298 -0.000 12.043) 12.261 5.443 ( -7.027 0.000 -11.442) 13.427 5.596 ( -15.273 0.000 -11.012) 18.829 5.709 ( -10.278 0.000 -6.930) 12.396 6.095 ( 2.297 -0.000 -9.190) 9.473 6.403 ( -11.820 0.000 9.679) 15.277 6.639 ( 4.507 -0.000 5.355) 6.999 7.115 ( -3.230 0.000 0.720) 3.309 7.140 ( 5.890 -0.000 -9.919) 11.536 7.563 ( 11.693 -0.000 7.723) 14.013 7.568 ( -10.876 0.000 -1.439) 10.970 7.853 ( 7.357 -0.000 -6.926) 10.104 8.205 ( 3.021 -0.000 11.384) 11.778 8.925 ( -4.469 0.000 3.787) 5.857 9.322 ( -0.623 0.000 13.663) 13.677 10.337 ( -0.183 0.000 -11.713) 11.715 11.794 ( -7.439 0.000 6.814) 10.088 12.343 ( -0.083 0.000 12.034) 12.034 12.988 ( 1.173 -0.000 22.702) 22.732 14.062 ( -0.136 0.000 -31.719) 31.720 14.326 ( -1.143 0.000 -20.069) 20.101 14.552 ( 4.324 -0.000 -15.056) 15.665 18.811 ( -9.246 0.000 33.286) 34.546 20.658 ( -0.885 0.000 -8.569) 8.615 26.683 ( 1.042 -0.000 17.466) 17.497 27.499 ( -19.233 0.000 3.827) 19.610 27.910 ( 0.128 -0.000 -1.306) 1.313 28.281 ( -5.744 0.000 -5.038) 7.640 29.849 ( 0.344 -0.000 0.588) 0.681 30.258 ( 27.985 -0.000 -13.647) 31.135 ======================= Grid point 260 (82/150) ======================= q-point: ( 0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 9.162 -1.682 26.566) 28.151 2.724 ( 6.243 -3.292 28.629) 29.486 3.706 ( 13.187 15.043 -4.087) 20.418 4.031 ( 4.317 -8.176 1.136) 9.316 4.363 ( 8.207 -9.537 5.741) 13.830 4.591 ( -7.361 -4.273 -4.489) 9.622 5.120 ( -1.946 -4.935 5.106) 7.362 5.265 ( -1.989 7.821 0.179) 8.072 5.400 ( -8.667 2.811 -10.712) 14.063 5.696 ( -10.107 -5.467 -4.286) 12.264 5.954 ( -3.941 10.691 -1.915) 11.554 6.340 ( -3.140 -1.505 -1.940) 3.986 6.733 ( 2.763 -3.662 0.929) 4.680 7.036 ( -3.138 3.283 1.316) 4.729 7.171 ( 2.641 3.815 -4.927) 6.768 7.438 ( -8.666 0.569 -4.646) 9.850 7.622 ( 7.697 5.499 5.669) 11.029 7.910 ( 5.354 -1.227 -2.340) 5.971 8.245 ( 3.889 -0.320 8.371) 9.236 8.969 ( -7.615 -8.893 2.437) 11.959 9.304 ( -1.648 0.945 13.445) 13.579 10.311 ( -0.652 2.519 -11.959) 12.239 11.708 ( -8.098 -0.328 7.994) 11.384 12.369 ( -0.166 -2.736 10.463) 10.816 13.012 ( 1.621 -0.933 22.671) 22.748 13.983 ( -0.028 8.651 -28.154) 29.453 14.274 ( 0.537 4.480 -22.329) 22.780 14.596 ( 3.816 -0.529 -14.762) 15.257 18.692 ( -8.014 1.530 36.820) 37.713 20.679 ( -1.468 -3.067 -9.600) 10.185 26.662 ( 1.295 3.368 17.338) 17.710 27.225 ( -16.833 5.134 13.022) 21.892 27.981 ( -0.256 -6.135 -6.511) 8.950 28.293 ( -3.640 -4.801 -5.302) 8.025 29.875 ( 0.023 -2.386 1.766) 2.968 30.509 ( 24.707 3.910 -17.249) 30.385 ======================= Grid point 261 (83/150) ======================= q-point: ( 0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 4.378 -4.946 20.776) 21.801 2.894 ( 0.693 -7.261 22.544) 23.695 3.648 ( 20.942 8.216 0.503) 22.501 4.061 ( -9.603 3.378 -2.720) 10.537 4.265 ( -9.032 9.748 2.958) 13.614 4.831 ( 2.327 -6.820 7.856) 10.660 5.062 ( 0.127 -0.237 -8.202) 8.206 5.259 ( -3.068 -1.894 -0.173) 3.609 5.410 ( 4.585 -7.117 1.205) 8.551 5.675 ( -0.526 0.566 -2.014) 2.157 5.792 ( -2.494 -0.309 0.796) 2.636 6.351 ( 2.896 1.507 -8.267) 8.888 6.743 ( -4.503 2.928 1.910) 5.701 6.923 ( -5.116 3.509 -5.955) 8.600 7.100 ( 0.787 1.658 0.803) 2.003 7.429 ( 2.896 -1.109 -1.382) 3.395 7.595 ( 3.956 2.462 5.674) 7.342 8.018 ( 2.556 -5.258 2.770) 6.469 8.275 ( 1.370 0.253 5.487) 5.661 8.992 ( -11.122 -2.641 4.181) 12.172 9.260 ( -3.112 0.187 12.525) 12.908 10.232 ( -1.378 4.838 -12.726) 13.684 11.662 ( -5.851 -3.200 7.935) 10.366 12.429 ( -0.294 -3.820 7.319) 8.261 13.052 ( 1.624 -1.362 22.935) 23.033 13.767 ( 1.253 14.506 -21.340) 25.834 14.194 ( 1.144 5.043 -29.768) 30.213 14.655 ( 2.809 -1.901 -14.075) 14.478 18.617 ( -4.172 -0.512 38.657) 38.885 20.721 ( -1.661 -3.090 -10.568) 11.135 26.606 ( 0.710 3.484 17.767) 18.119 27.009 ( -10.021 3.044 16.706) 19.718 28.105 ( 1.087 -6.813 -10.398) 12.479 28.339 ( -4.039 -4.198 -7.007) 9.112 29.926 ( -1.560 -3.758 2.346) 4.697 30.625 ( 18.246 8.025 -15.706) 25.377 ======================= Grid point 262 (84/150) ======================= q-point: ( 0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -5.969 -8.028 18.243) 20.806 3.037 ( 0.604 -11.159 16.244) 19.717 3.724 ( -10.283 9.935 5.950) 15.487 3.849 ( 11.239 2.777 1.224) 11.642 4.037 ( 4.404 8.311 7.918) 12.295 4.650 ( -8.632 14.180 2.666) 16.813 5.194 ( 4.294 -6.523 -9.146) 12.027 5.318 ( -2.453 -4.012 -1.957) 5.094 5.508 ( 0.137 -0.972 -7.464) 7.528 5.750 ( 5.093 -5.324 -8.222) 11.040 5.902 ( 4.025 -5.829 6.733) 9.774 6.299 ( 3.750 8.120 -10.188) 13.556 6.587 ( -6.626 1.880 2.185) 7.226 6.955 ( 2.646 -6.667 2.925) 7.747 7.087 ( 3.132 3.479 2.017) 5.098 7.450 ( 1.148 1.040 6.586) 6.766 7.639 ( 2.687 -1.452 0.866) 3.174 8.114 ( -2.611 -3.302 4.300) 6.017 8.295 ( 0.347 -3.030 5.866) 6.612 8.838 ( -9.619 4.879 8.757) 13.894 9.247 ( -4.199 -2.598 11.080) 12.130 10.121 ( -1.298 5.027 -13.803) 14.747 11.704 ( -2.934 -5.989 6.680) 9.439 12.492 ( -0.212 -3.208 3.821) 4.993 13.086 ( 0.914 -0.698 23.576) 23.604 13.523 ( 2.126 13.414 -17.400) 22.073 14.120 ( 0.880 4.113 -35.974) 36.219 14.712 ( 1.378 -1.515 -13.738) 13.890 18.612 ( -1.445 -1.671 38.976) 39.038 20.754 ( -1.111 -2.098 -10.795) 11.053 26.559 ( -0.645 1.744 18.818) 18.910 26.900 ( -3.473 1.158 16.532) 16.933 28.242 ( 3.160 -5.096 -10.148) 11.787 28.358 ( -4.071 -3.138 -11.356) 12.465 29.968 ( -4.276 -4.044 2.204) 6.285 30.615 ( 12.138 10.236 -12.488) 20.200 ======================= Grid point 263 (85/150) ======================= q-point: (-0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -6.884 -8.702 23.301) 25.808 3.210 ( -12.632 -8.625 9.140) 17.818 3.473 ( -4.334 5.120 5.210) 8.494 3.722 ( 2.454 8.782 6.397) 11.139 4.201 ( 19.247 -0.972 3.098) 19.519 4.333 ( -6.317 7.383 4.363) 10.651 5.280 ( 3.737 2.029 -4.998) 6.562 5.363 ( -6.813 -6.522 -4.208) 10.327 5.532 ( 0.561 -1.439 -6.051) 6.244 5.854 ( 2.623 -0.907 -13.151) 13.441 5.976 ( 2.598 1.776 -1.937) 3.696 6.217 ( 6.427 3.466 -9.597) 12.059 6.613 ( -1.399 -6.881 3.442) 7.820 6.913 ( 4.448 13.424 11.696) 18.352 7.214 ( -0.134 -11.350 3.142) 11.778 7.426 ( 2.924 4.748 8.228) 9.940 7.644 ( -0.175 1.982 0.694) 2.107 8.089 ( -6.965 -1.727 3.071) 7.805 8.297 ( -9.587 1.708 7.852) 12.509 8.788 ( 5.846 -5.233 10.552) 13.149 9.257 ( -4.035 -3.233 10.837) 12.007 10.051 ( 0.048 1.250 -14.127) 14.182 11.793 ( -0.489 -4.888 6.409) 8.075 12.534 ( -0.006 -1.399 0.468) 1.475 13.092 ( -0.013 0.544 23.805) 23.811 13.350 ( 1.317 6.954 -15.368) 16.920 14.072 ( 0.708 1.773 -39.451) 39.498 14.730 ( -0.241 0.340 -13.400) 13.406 18.633 ( -0.060 -1.337 38.782) 38.805 20.777 ( -0.269 -1.266 -10.856) 10.933 26.526 ( -1.673 0.473 19.553) 19.630 26.893 ( 1.460 -1.543 15.870) 16.012 28.289 ( -0.703 1.264 -6.575) 6.732 28.433 ( 2.732 -5.809 -17.901) 19.017 29.976 ( -7.372 -3.454 1.439) 8.267 30.521 ( 6.710 10.728 -9.648) 15.912 ======================= Grid point 264 (86/150) ======================= q-point: (-0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -14.090 -0.123 11.689) 18.308 3.179 ( -3.468 18.469 9.912) 21.245 3.252 ( -3.786 -5.611 23.232) 24.198 3.807 ( 7.603 -8.035 3.761) 11.684 4.313 ( -6.981 -14.533 -0.144) 16.124 4.406 ( 12.203 -1.234 -6.901) 14.074 5.205 ( 1.760 9.711 -1.378) 9.964 5.415 ( -0.174 -3.624 -4.065) 5.449 5.561 ( -2.114 -2.742 1.129) 3.642 5.858 ( 3.135 3.648 -1.058) 4.925 5.974 ( 0.905 -0.939 -16.459) 16.511 6.208 ( 5.498 9.556 2.193) 11.241 6.713 ( -0.834 -3.396 4.235) 5.492 6.768 ( 0.882 -0.468 9.080) 9.135 7.312 ( 2.453 3.784 -2.063) 4.959 7.378 ( 3.612 1.149 3.226) 4.977 7.583 ( -1.848 3.455 -1.101) 4.070 8.010 ( -13.694 2.690 0.653) 13.971 8.166 ( -4.783 -2.126 15.303) 16.173 9.037 ( 9.656 -9.029 9.891) 16.510 9.284 ( -2.311 -3.454 10.153) 10.971 10.081 ( 0.864 -3.475 -13.097) 13.578 11.849 ( 1.625 -0.442 6.676) 6.885 12.543 ( 0.270 0.637 -0.003) 0.692 13.072 ( -0.830 1.173 24.198) 24.241 13.316 ( -0.084 -3.006 -16.114) 16.392 14.072 ( 0.506 -0.930 -39.647) 39.661 14.695 ( -1.372 2.398 -12.902) 13.195 18.657 ( 0.767 -0.998 38.318) 38.338 20.794 ( 0.395 -0.510 -11.156) 11.175 26.509 ( -1.480 -0.535 19.349) 19.413 26.981 ( 3.687 -4.844 16.013) 17.131 28.234 ( -1.250 3.149 -8.602) 9.245 28.573 ( 6.599 -3.555 -18.144) 19.631 29.938 ( -9.704 -2.212 0.564) 9.969 30.374 ( 1.986 10.197 -7.574) 12.856 ======================= Grid point 265 (87/150) ======================= q-point: (-0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -8.375 5.627 16.896) 19.679 2.815 ( -4.247 14.554 20.757) 25.704 3.280 ( 1.107 0.007 12.893) 12.941 4.139 ( 6.693 -15.695 -1.898) 17.168 4.454 ( 3.736 -2.294 -5.989) 7.422 4.582 ( -8.640 -9.537 -8.627) 15.493 5.048 ( 3.382 4.397 3.910) 6.787 5.424 ( 0.132 3.438 -10.519) 11.067 5.554 ( 1.389 8.057 18.684) 20.395 5.831 ( 2.037 3.179 2.959) 4.798 5.885 ( -0.345 2.086 -5.204) 5.617 6.208 ( 2.722 -7.209 -4.311) 8.830 6.797 ( 2.096 -4.257 1.245) 4.906 6.850 ( -1.430 -5.971 2.435) 6.605 7.225 ( 1.466 8.622 -4.501) 9.836 7.401 ( 2.716 0.786 1.048) 3.015 7.510 ( 2.452 2.655 -3.372) 4.943 7.795 ( -14.580 1.194 -1.617) 14.717 8.199 ( -0.541 -1.765 18.376) 18.469 9.236 ( 3.793 -4.304 10.654) 12.100 9.328 ( 0.986 -1.215 6.553) 6.737 10.171 ( 0.445 -5.092 -11.993) 13.036 11.855 ( 2.186 1.436 7.010) 7.482 12.514 ( 0.393 2.878 2.622) 3.913 13.034 ( -0.889 1.646 24.191) 24.263 13.462 ( -0.443 -12.871 -17.990) 22.125 14.112 ( 0.156 -2.938 -37.295) 37.411 14.624 ( -1.346 3.487 -12.313) 12.868 18.695 ( 1.216 -2.232 37.392) 37.478 20.798 ( 0.535 0.782 -11.556) 11.595 26.520 ( -0.734 -2.054 18.814) 18.940 27.138 ( 3.333 -8.049 15.821) 18.061 28.157 ( -0.615 4.179 -9.638) 10.523 28.685 ( 7.470 0.116 -19.309) 20.704 29.861 ( -9.134 -0.801 0.578) 9.187 30.199 ( -1.016 9.305 -5.757) 10.988 ======================= Grid point 266 (88/150) ======================= q-point: (-0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 0.000 9.473 27.530) 29.114 2.603 ( 0.000 4.609 30.781) 31.124 3.343 ( -0.000 -6.869 -1.820) 7.106 4.283 ( 0.000 21.870 14.422) 26.198 4.306 ( 0.000 0.981 -13.368) 13.404 4.701 ( -0.000 -9.613 -9.835) 13.753 5.152 ( -0.000 -2.031 6.764) 7.062 5.365 ( 0.000 2.114 2.401) 3.199 5.383 ( -0.000 -2.870 -4.385) 5.241 5.894 ( -0.000 -3.481 -7.608) 8.367 5.914 ( -0.000 -4.402 -3.520) 5.636 6.404 ( -0.000 -10.198 3.981) 10.948 6.838 ( 0.000 5.166 -1.610) 5.411 6.928 ( -0.000 -4.609 -2.119) 5.073 7.078 ( 0.000 3.327 -0.957) 3.462 7.386 ( 0.000 0.178 3.619) 3.624 7.564 ( -0.000 -3.812 -6.114) 7.205 7.718 ( -0.000 -1.328 0.193) 1.342 8.191 ( 0.000 1.972 17.073) 17.187 9.286 ( 0.000 7.193 1.918) 7.444 9.303 ( -0.000 -1.784 12.756) 12.880 10.260 ( -0.000 -4.147 -11.578) 12.298 11.855 ( -0.000 -0.122 7.697) 7.698 12.449 ( 0.000 4.245 5.905) 7.272 13.002 ( 0.000 1.327 23.666) 23.703 13.739 ( -0.000 -16.297 -21.293) 26.814 14.180 ( -0.000 -4.501 -32.912) 33.218 14.553 ( 0.000 3.154 -11.918) 12.328 18.767 ( -0.000 -4.799 35.394) 35.718 20.770 ( 0.000 2.792 -11.312) 11.651 26.569 ( -0.000 -3.647 18.290) 18.650 27.332 ( -0.000 -10.950 13.508) 17.389 28.073 ( 0.000 4.595 -9.899) 10.914 28.684 ( 0.000 5.744 -19.163) 20.005 29.811 ( -0.000 -0.355 0.901) 0.969 30.032 ( 0.000 7.566 -3.688) 8.416 ======================= Grid point 269 (89/150) ======================= q-point: ( 0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 11.734 -0.000 21.005) 24.060 2.748 ( 3.697 -0.000 27.783) 28.028 3.987 ( 0.804 -0.000 -6.398) 6.448 4.068 ( 11.132 -0.000 -0.366) 11.138 4.342 ( 20.668 -0.000 15.012) 25.544 4.454 ( -10.022 0.000 -3.340) 10.564 5.060 ( -1.693 0.000 2.939) 3.391 5.320 ( -4.792 0.000 -9.438) 10.584 5.423 ( -13.889 0.000 -4.982) 14.755 5.425 ( 1.115 -0.000 0.501) 1.223 6.116 ( 0.975 -0.000 -6.677) 6.747 6.199 ( -6.388 0.000 0.639) 6.420 6.760 ( 6.157 -0.000 1.098) 6.254 6.980 ( -10.587 0.000 7.159) 12.781 7.296 ( -12.391 0.000 -5.750) 13.660 7.299 ( 8.294 -0.000 -6.785) 10.716 7.763 ( 6.293 -0.000 4.943) 8.002 7.941 ( 0.969 -0.000 -7.286) 7.350 8.269 ( 0.970 -0.000 6.517) 6.588 8.797 ( -7.252 0.000 3.790) 8.183 9.293 ( -2.411 0.000 13.863) 14.071 10.327 ( -0.853 0.000 -12.177) 12.206 11.614 ( -8.435 0.000 7.761) 11.462 12.346 ( 0.425 -0.000 12.238) 12.245 13.021 ( 1.837 -0.000 22.611) 22.685 14.058 ( -0.184 0.000 -31.671) 31.672 14.326 ( 1.234 -0.000 -16.644) 16.690 14.632 ( 2.853 -0.000 -15.800) 16.056 18.614 ( -7.892 0.000 38.302) 39.107 20.634 ( -1.320 0.000 -8.991) 9.088 26.713 ( 1.658 -0.000 16.818) 16.900 27.069 ( -18.476 0.000 14.105) 23.244 27.916 ( 0.457 -0.000 -3.143) 3.176 28.252 ( 1.467 -0.000 -5.424) 5.619 29.856 ( 0.221 -0.000 4.195) 4.200 30.797 ( 21.217 -0.000 -21.461) 30.178 ======================= Grid point 270 (90/150) ======================= q-point: ( 0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 2.341 3.344 19.802) 20.218 2.849 ( 5.998 -2.531 20.590) 21.594 3.967 ( 8.258 4.062 -2.489) 9.533 4.004 ( -10.239 5.406 12.340) 16.921 4.369 ( 5.441 4.824 -7.066) 10.139 4.737 ( 12.911 -10.604 9.671) 19.305 4.999 ( -6.280 0.728 -0.829) 6.376 5.189 ( -7.031 1.634 -4.067) 8.285 5.371 ( 2.072 -4.201 -10.229) 11.250 5.594 ( 3.412 -9.243 6.012) 11.542 5.936 ( 3.986 11.449 -3.315) 12.568 6.305 ( -0.635 -6.342 -8.710) 10.793 6.738 ( -7.359 3.871 2.477) 8.675 6.919 ( -3.371 -1.619 2.650) 4.583 7.130 ( -3.390 3.394 -4.156) 6.346 7.424 ( 5.600 -3.046 -3.147) 7.109 7.730 ( 2.720 6.815 3.761) 8.246 7.961 ( -0.568 -2.256 -2.041) 3.095 8.263 ( -3.085 -0.528 5.319) 6.171 8.788 ( -9.032 -6.165 3.309) 11.425 9.244 ( -4.129 1.651 13.960) 14.651 10.290 ( -1.262 2.848 -12.887) 13.258 11.551 ( -6.136 -1.920 7.660) 10.001 12.373 ( 0.523 -2.225 10.935) 11.172 13.049 ( 1.790 -0.843 22.862) 22.947 13.985 ( 0.148 7.836 -28.462) 29.521 14.303 ( 2.160 4.282 -19.844) 20.416 14.658 ( 1.754 -0.588 -14.783) 14.898 18.554 ( -4.512 -0.993 39.344) 39.614 20.647 ( -1.452 -2.705 -9.626) 10.104 26.681 ( -0.184 4.267 16.777) 17.312 26.914 ( -10.928 -1.082 16.546) 19.859 27.980 ( 0.232 -5.975 -6.537) 8.859 28.284 ( 1.554 -1.162 -5.637) 5.961 29.870 ( -0.501 -1.333 5.769) 5.942 30.939 ( 15.662 5.691 -20.701) 26.575 ======================= Grid point 271 (91/150) ======================= q-point: ( 0.44 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -7.770 -0.212 18.240) 19.827 2.947 ( 5.051 -2.706 17.227) 18.155 3.713 ( -17.178 8.176 16.971) 25.494 4.048 ( 11.871 2.921 0.588) 12.239 4.295 ( 10.642 9.330 -1.096) 14.195 4.771 ( -5.205 7.071 1.361) 8.885 5.024 ( -2.906 -5.544 -3.812) 7.329 5.215 ( -3.517 -6.559 -5.987) 9.552 5.506 ( 4.139 -5.861 -9.980) 12.291 5.786 ( 7.032 -2.413 -0.574) 7.457 5.902 ( 12.804 0.241 2.167) 12.988 6.368 ( -1.586 -1.294 -12.519) 12.686 6.552 ( -9.851 3.343 1.873) 10.570 6.896 ( 1.445 -0.079 -1.122) 1.831 7.161 ( 4.616 -3.140 4.643) 7.262 7.501 ( 2.984 1.875 1.717) 3.920 7.663 ( 3.489 1.847 3.615) 5.353 7.998 ( -5.014 -4.136 2.181) 6.856 8.229 ( -5.523 -1.292 5.909) 8.191 8.772 ( -8.537 -1.886 5.802) 10.493 9.165 ( -5.719 0.320 13.075) 14.274 10.202 ( -1.260 4.972 -14.152) 15.053 11.565 ( -3.245 -5.115 6.673) 9.013 12.430 ( 0.369 -3.338 8.004) 8.680 13.083 ( 1.245 -0.871 23.497) 23.546 13.795 ( 1.205 13.019 -22.160) 25.730 14.228 ( 1.892 5.916 -28.396) 29.068 14.695 ( 0.873 -1.688 -13.760) 13.890 18.556 ( -1.682 -2.432 39.450) 39.561 20.690 ( -1.234 -3.274 -10.250) 10.831 26.589 ( -2.427 3.334 17.795) 18.267 26.866 ( -3.066 -1.047 16.575) 16.889 28.122 ( 0.498 -8.790 -11.131) 14.193 28.312 ( 0.629 -0.471 -6.080) 6.130 29.884 ( -2.158 -1.540 6.391) 6.919 30.930 ( 10.567 10.079 -17.517) 22.805 ======================= Grid point 272 (92/150) ======================= q-point: ( 0.56 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -10.345 -8.357 25.314) 28.595 3.022 ( -3.815 -1.808 11.255) 12.021 3.462 ( -5.402 2.066 12.373) 13.658 3.972 ( 4.676 10.972 3.230) 12.357 4.333 ( 2.114 6.257 3.311) 7.388 4.545 ( 8.011 9.837 -1.262) 12.749 5.105 ( -6.927 -8.555 -0.107) 11.008 5.280 ( -2.436 -4.819 -10.602) 11.898 5.574 ( 1.144 1.249 -3.092) 3.525 5.895 ( 7.953 0.771 -14.848) 16.862 6.026 ( 5.934 -1.636 -5.599) 8.321 6.316 ( -0.097 2.789 -8.336) 8.791 6.506 ( -1.938 -3.347 3.484) 5.205 7.015 ( 2.381 -9.465 1.582) 9.887 7.215 ( 8.019 8.965 9.605) 15.393 7.475 ( 2.206 -1.029 8.889) 9.216 7.701 ( 4.694 1.240 2.062) 5.274 7.955 ( -12.012 -1.367 2.473) 12.339 8.193 ( -9.973 -1.266 7.979) 12.835 8.754 ( 2.112 -3.636 9.839) 10.700 9.130 ( -6.575 -3.397 11.498) 13.674 10.102 ( -0.513 4.310 -15.055) 15.668 11.660 ( -1.257 -7.483 5.601) 9.432 12.493 ( 0.174 -2.979 4.293) 5.229 13.100 ( 0.392 0.068 24.312) 24.315 13.564 ( 1.563 13.221 -17.729) 22.172 14.143 ( 1.118 4.789 -35.964) 36.299 14.725 ( 0.051 -0.842 -13.198) 13.224 18.594 ( -0.347 -2.620 39.198) 39.287 20.735 ( -0.621 -2.682 -10.533) 10.887 26.523 ( -2.037 1.365 18.793) 18.952 26.876 ( 0.416 -1.496 15.828) 15.904 28.286 ( -0.202 -4.934 -11.530) 12.543 28.328 ( 1.627 -3.826 -10.437) 11.235 29.875 ( -3.882 -0.993 6.172) 7.359 30.809 ( 6.160 12.417 -14.127) 19.791 ======================= Grid point 273 (93/150) ======================= q-point: (-0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -8.437 -6.513 21.632) 24.115 3.000 ( -4.146 -8.525 18.648) 20.919 3.460 ( 0.782 5.811 1.080) 5.962 3.862 ( 8.519 5.020 8.161) 12.821 4.089 ( -10.419 3.888 6.414) 12.838 4.576 ( 9.546 4.790 -10.990) 15.325 5.219 ( -2.856 -8.643 5.672) 10.725 5.335 ( -1.200 -3.891 -11.055) 11.781 5.530 ( -0.154 3.185 4.579) 5.580 5.926 ( 4.039 0.678 -20.394) 20.801 6.029 ( 0.216 4.943 -9.969) 11.129 6.362 ( 7.001 -0.797 -3.758) 7.986 6.563 ( -3.917 -6.398 3.593) 8.318 6.993 ( 2.444 17.475 17.220) 24.655 7.211 ( -0.285 -8.748 -1.599) 8.897 7.550 ( 8.623 3.109 5.430) 10.654 7.679 ( 3.722 5.627 -0.443) 6.761 7.874 ( -12.045 -2.692 4.493) 13.135 8.061 ( -9.327 -0.527 13.335) 16.281 8.959 ( 8.379 -10.011 10.451) 16.723 9.144 ( -6.316 -5.576 10.666) 13.592 10.055 ( 0.168 0.335 -14.472) 14.477 11.788 ( -0.044 -6.507 5.719) 8.664 12.535 ( 0.076 -1.454 0.673) 1.604 13.089 ( -0.142 1.145 24.822) 24.849 13.373 ( 0.681 8.128 -16.046) 18.000 14.087 ( 0.498 2.066 -39.779) 39.836 14.720 ( -0.401 1.197 -12.788) 12.850 18.635 ( 0.103 -1.919 38.744) 38.792 20.773 ( -0.073 -1.862 -10.808) 10.967 26.493 ( -1.007 0.225 19.324) 19.351 26.930 ( 1.271 -3.427 15.501) 15.926 28.273 ( -0.482 2.001 -8.007) 8.268 28.502 ( 2.436 -8.755 -18.206) 20.348 29.841 ( -4.080 -0.128 5.426) 6.790 30.620 ( 2.437 13.022 -11.176) 17.333 ======================= Grid point 274 (94/150) ======================= q-point: (-0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.000 0.631 12.860) 12.875 3.159 ( 0.000 21.775 9.499) 23.757 3.225 ( -0.000 -10.588 24.695) 26.869 3.915 ( -0.000 -6.644 7.269) 9.848 4.198 ( -0.000 -18.027 -4.221) 18.515 4.544 ( 0.000 3.228 -13.622) 13.999 5.218 ( 0.000 7.864 -0.982) 7.925 5.417 ( -0.000 -3.777 -10.785) 11.427 5.543 ( -0.000 -5.538 18.160) 18.985 5.903 ( 0.000 6.649 -4.888) 8.252 5.978 ( -0.000 -1.500 -18.547) 18.607 6.283 ( 0.000 13.549 7.004) 15.252 6.680 ( -0.000 -8.020 2.112) 8.294 6.796 ( 0.000 2.252 10.099) 10.347 7.305 ( -0.000 -1.025 -3.774) 3.910 7.504 ( 0.000 5.360 0.319) 5.370 7.647 ( 0.000 5.917 -1.681) 6.151 7.704 ( 0.000 3.859 -1.325) 4.080 8.119 ( -0.000 -6.279 20.660) 21.593 9.180 ( -0.000 -4.669 10.889) 11.848 9.222 ( -0.000 -9.418 8.695) 12.818 10.090 ( -0.000 -3.656 -12.971) 13.476 11.868 ( -0.000 -1.772 6.366) 6.608 12.546 ( 0.000 0.425 -0.062) 0.429 13.061 ( 0.000 1.693 24.879) 24.936 13.316 ( -0.000 -2.280 -16.687) 16.842 14.079 ( -0.000 -0.747 -39.892) 39.899 14.678 ( 0.000 2.955 -12.414) 12.761 18.666 ( -0.000 -1.564 38.128) 38.160 20.799 ( -0.000 -0.861 -11.244) 11.277 26.492 ( -0.000 -0.679 19.268) 19.280 27.024 ( -0.000 -5.975 15.745) 16.841 28.222 ( 0.000 3.254 -8.829) 9.410 28.660 ( -0.000 -6.180 -20.710) 21.612 29.811 ( 0.000 0.322 4.199) 4.212 30.399 ( 0.000 12.174 -8.418) 14.801 ======================= Grid point 279 (95/150) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 1.385 -0.000 24.413) 24.452 2.863 ( 4.091 -0.000 9.543) 10.383 3.944 ( -14.416 0.000 24.403) 28.342 4.023 ( 5.480 -0.000 1.192) 5.608 4.541 ( 11.478 -0.000 -12.184) 16.739 4.805 ( 18.641 -0.000 4.602) 19.201 4.987 ( -3.464 0.000 -4.423) 5.618 5.097 ( -11.434 0.000 -4.170) 12.171 5.311 ( -1.714 0.000 -11.701) 11.825 5.554 ( 6.589 -0.000 8.605) 10.838 6.155 ( 2.322 -0.000 -5.195) 5.690 6.192 ( 7.296 -0.000 -8.382) 11.112 6.683 ( -14.510 0.000 10.364) 17.831 6.865 ( 3.210 -0.000 -0.367) 3.231 7.123 ( -4.361 0.000 -4.555) 6.306 7.465 ( 7.128 -0.000 -3.909) 8.129 7.827 ( 0.370 -0.000 2.119) 2.151 7.911 ( -3.939 0.000 -7.076) 8.098 8.203 ( -6.417 0.000 7.986) 10.245 8.638 ( -7.376 0.000 4.122) 8.449 9.217 ( -4.464 0.000 14.699) 15.362 10.303 ( -1.290 0.000 -13.194) 13.257 11.474 ( -4.580 0.000 6.929) 8.306 12.360 ( 0.888 -0.000 12.200) 12.232 13.060 ( 1.661 -0.000 23.083) 23.143 14.054 ( -0.134 0.000 -31.851) 31.851 14.372 ( 2.762 -0.000 -15.092) 15.342 14.664 ( 0.189 -0.000 -14.325) 14.327 18.503 ( -2.848 0.000 39.652) 39.754 20.607 ( -1.123 0.000 -9.312) 9.379 26.748 ( 1.509 -0.000 16.074) 16.144 26.765 ( -10.412 0.000 16.902) 19.851 27.929 ( 0.663 -0.000 -5.065) 5.108 28.300 ( 2.536 -0.000 -5.845) 6.371 29.857 ( -0.105 0.000 8.077) 8.077 31.136 ( 11.262 -0.000 -21.999) 24.714 ======================= Grid point 280 (96/150) ======================= q-point: ( 0.44 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -4.683 8.950 18.147) 20.769 2.965 ( 3.767 -3.180 14.203) 15.034 3.709 ( -11.055 8.404 24.612) 28.259 4.167 ( 10.679 -3.559 6.100) 12.803 4.547 ( 3.161 9.230 -7.585) 12.358 4.822 ( 0.067 4.455 -1.086) 4.586 4.997 ( 1.137 0.303 -8.123) 8.208 5.065 ( -1.873 -4.106 -2.357) 5.092 5.416 ( 3.688 -8.641 -12.405) 15.561 5.674 ( -0.637 -8.681 2.390) 9.026 6.133 ( 11.340 4.803 -3.265) 12.741 6.330 ( 3.145 -2.580 -9.233) 10.089 6.508 ( -7.699 3.754 6.177) 10.560 6.907 ( -0.754 -0.439 -0.354) 0.941 7.115 ( 1.877 -3.599 0.579) 4.100 7.550 ( 5.127 -1.074 -1.301) 5.397 7.766 ( 0.943 4.510 1.213) 4.764 7.878 ( -6.756 -1.975 -2.123) 7.352 8.138 ( -7.147 -0.565 8.859) 11.396 8.621 ( -5.985 -4.901 4.425) 8.912 9.142 ( -4.732 2.665 14.788) 15.754 10.264 ( -1.063 2.869 -14.118) 14.446 11.461 ( -2.457 -2.767 6.234) 7.250 12.387 ( 0.708 -1.892 11.051) 11.234 13.082 ( 1.170 -0.636 23.526) 23.564 13.988 ( 0.142 7.061 -29.108) 29.953 14.355 ( 2.379 4.762 -18.907) 19.642 14.671 ( -0.256 -1.173 -13.254) 13.308 18.499 ( -1.096 -1.804 39.559) 39.616 20.622 ( -0.872 -2.552 -9.654) 10.023 26.623 ( -4.106 3.872 17.152) 18.056 26.805 ( -0.846 -2.951 16.133) 16.423 27.988 ( 0.420 -5.595 -7.536) 9.395 28.324 ( 1.756 0.034 -5.915) 6.171 29.857 ( -0.575 -0.168 9.169) 9.189 31.175 ( 7.079 6.078 -20.441) 22.470 ======================= Grid point 281 (97/150) ======================= q-point: ( 0.56 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -5.612 3.519 23.732) 24.639 3.019 ( 1.083 0.946 13.942) 14.016 3.475 ( -4.746 5.979 19.497) 20.938 4.203 ( 4.452 10.337 0.836) 11.286 4.450 ( 0.136 2.169 2.831) 3.569 4.778 ( 7.490 5.818 -2.853) 9.904 4.941 ( -5.299 -1.078 -1.076) 5.514 5.150 ( -2.210 -5.515 -10.411) 11.987 5.558 ( 1.171 -2.338 -6.587) 7.087 5.858 ( -0.274 -11.870 -12.076) 16.935 6.149 ( 6.524 6.419 -9.546) 13.225 6.355 ( 3.040 1.665 -3.982) 5.279 6.433 ( -3.234 -1.426 3.460) 4.946 6.918 ( 0.334 -3.225 0.637) 3.304 7.286 ( 6.177 -8.796 7.429) 13.066 7.545 ( 1.629 5.734 3.613) 6.970 7.749 ( -0.367 -1.261 1.910) 2.318 7.843 ( -2.542 0.506 1.818) 3.166 8.070 ( -8.360 -0.749 8.912) 12.242 8.676 ( -0.958 -5.734 7.267) 9.306 9.048 ( -4.088 1.566 13.640) 14.326 10.183 ( -0.473 4.733 -15.288) 16.011 11.523 ( -0.901 -5.853 5.506) 8.086 12.439 ( 0.299 -2.998 8.264) 8.795 13.101 ( 0.466 -0.424 24.141) 24.149 13.813 ( 0.489 12.001 -22.929) 25.885 14.263 ( 1.062 6.696 -28.050) 28.858 14.700 ( -0.106 -1.852 -12.691) 12.826 18.538 ( -0.250 -2.937 39.443) 39.553 20.672 ( -0.446 -3.400 -10.091) 10.658 26.537 ( -1.646 2.365 17.829) 18.060 26.845 ( 0.002 -2.107 15.871) 16.010 28.129 ( 0.185 -9.047 -11.751) 14.832 28.333 ( 0.771 0.433 -6.065) 6.129 29.847 ( -1.036 0.299 9.108) 9.172 31.075 ( 3.354 10.602 -17.670) 20.878 ======================= Grid point 282 (98/150) ======================= q-point: (-0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -0.000 -7.831 29.074) 30.110 2.960 ( 0.000 3.790 13.405) 13.931 3.436 ( -0.000 -3.119 8.820) 9.355 4.052 ( 0.000 7.727 6.585) 10.153 4.254 ( 0.000 16.575 1.139) 16.614 4.742 ( 0.000 6.333 -12.698) 14.190 5.012 ( -0.000 -10.393 14.464) 17.810 5.229 ( -0.000 -5.118 -12.845) 13.827 5.572 ( 0.000 0.460 -4.195) 4.220 6.034 ( 0.000 7.563 -17.779) 19.321 6.035 ( -0.000 -5.093 -15.453) 16.271 6.386 ( -0.000 -1.328 -4.997) 5.170 6.438 ( -0.000 -2.783 7.792) 8.274 7.041 ( -0.000 -8.940 -0.573) 8.958 7.318 ( 0.000 13.682 13.661) 19.335 7.582 ( -0.000 -10.378 9.019) 13.749 7.714 ( 0.000 2.870 2.297) 3.676 7.824 ( 0.000 2.199 1.731) 2.799 8.000 ( 0.000 1.236 9.916) 9.993 8.822 ( -0.000 -9.687 10.140) 14.023 9.027 ( -0.000 -2.231 11.701) 11.912 10.097 ( 0.000 3.938 -15.566) 16.056 11.648 ( -0.000 -7.938 5.090) 9.430 12.495 ( -0.000 -2.839 4.436) 5.266 13.104 ( 0.000 0.425 24.692) 24.696 13.581 ( 0.000 13.063 -17.935) 22.188 14.156 ( 0.000 5.097 -36.125) 36.483 14.724 ( -0.000 -0.649 -12.702) 12.719 18.591 ( -0.000 -2.833 39.199) 39.302 20.728 ( -0.000 -2.904 -10.445) 10.841 26.498 ( 0.000 1.047 18.677) 18.707 26.885 ( -0.000 -2.281 15.510) 15.677 28.279 ( -0.000 -3.564 -11.568) 12.104 28.354 ( -0.000 -5.645 -10.956) 12.325 29.830 ( 0.000 0.642 7.969) 7.994 30.874 ( 0.000 12.946 -14.557) 19.481 ======================= Grid point 289 (99/150) ======================= q-point: ( 0.44 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -1.868 0.000 28.891) 28.951 2.889 ( -0.259 0.000 1.082) 1.112 3.738 ( -4.314 0.000 28.613) 28.937 4.196 ( 7.765 -0.000 13.679) 15.729 4.694 ( 2.047 -0.000 -13.030) 13.190 4.834 ( -5.206 0.000 -9.584) 10.907 4.961 ( -1.098 0.000 -1.909) 2.203 5.171 ( 10.716 -0.000 -1.192) 10.782 5.263 ( -2.255 0.000 -15.034) 15.202 5.573 ( -3.896 0.000 -1.587) 4.207 6.250 ( 4.285 -0.000 -7.673) 8.788 6.333 ( 1.507 -0.000 4.656) 4.894 6.533 ( 1.787 -0.000 1.078) 2.087 6.889 ( -0.346 0.000 0.219) 0.409 7.101 ( 1.830 -0.000 -1.757) 2.537 7.583 ( 3.443 -0.000 -1.857) 3.912 7.767 ( -7.824 0.000 -2.503) 8.214 7.811 ( -1.056 0.000 -0.087) 1.059 8.087 ( -2.910 0.000 9.296) 9.741 8.515 ( -3.441 0.000 4.597) 5.742 9.135 ( -2.455 0.000 15.376) 15.571 10.281 ( -0.648 0.000 -14.155) 14.170 11.417 ( -1.157 0.000 5.675) 5.792 12.377 ( 0.479 -0.000 12.057) 12.066 13.085 ( 0.662 -0.000 23.673) 23.682 14.053 ( -0.043 0.000 -32.099) 32.099 14.425 ( 1.744 -0.000 -15.103) 15.203 14.653 ( -0.714 0.000 -12.381) 12.402 18.474 ( -0.380 0.000 39.363) 39.365 20.590 ( -0.433 0.000 -9.432) 9.442 26.623 ( -3.262 0.000 17.153) 17.460 26.771 ( 0.607 -0.000 15.579) 15.591 27.940 ( 0.330 -0.000 -6.253) 6.262 28.341 ( 1.111 -0.000 -5.979) 6.081 29.854 ( -0.118 0.000 10.519) 10.519 31.287 ( 3.432 -0.000 -21.109) 21.386 ======================= Grid point 290 (100/150) ======================= q-point: (-0.44 -0.56 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 0.000 11.453 21.156) 24.058 2.998 ( -0.000 -4.925 12.085) 13.050 3.600 ( 0.000 9.697 25.648) 27.420 4.350 ( -0.000 -8.771 13.291) 15.925 4.485 ( 0.000 15.279 -4.553) 15.943 4.894 ( -0.000 -1.688 -17.805) 17.884 4.928 ( 0.000 3.113 1.707) 3.551 5.085 ( 0.000 1.811 -7.740) 7.949 5.550 ( -0.000 -0.633 -4.803) 4.845 5.552 ( -0.000 -18.149 -11.540) 21.508 6.256 ( 0.000 1.937 -7.891) 8.125 6.353 ( -0.000 -1.877 9.875) 10.052 6.495 ( 0.000 5.847 -6.659) 8.862 6.887 ( -0.000 -0.408 0.712) 0.821 7.166 ( -0.000 -5.975 0.974) 6.053 7.609 ( 0.000 0.154 0.150) 0.215 7.709 ( 0.000 0.252 0.441) 0.508 7.838 ( -0.000 -2.466 -0.142) 2.470 8.039 ( 0.000 2.529 10.161) 10.471 8.557 ( -0.000 -5.572 5.012) 7.494 9.085 ( 0.000 3.537 15.150) 15.557 10.251 ( 0.000 2.781 -14.715) 14.976 11.437 ( -0.000 -2.936 5.508) 6.242 12.396 ( -0.000 -1.783 11.033) 11.177 13.094 ( -0.000 -0.538 23.892) 23.898 13.990 ( 0.000 6.755 -29.417) 30.183 14.384 ( 0.000 5.171 -19.021) 19.712 14.664 ( -0.000 -1.612 -12.143) 12.250 18.491 ( -0.000 -1.901 39.367) 39.413 20.612 ( -0.000 -2.518 -9.652) 9.975 26.575 ( 0.000 2.693 17.228) 17.437 26.802 ( -0.000 -2.413 15.729) 15.913 27.993 ( -0.000 -5.468 -8.030) 9.715 28.344 ( 0.000 0.292 -5.977) 5.984 29.850 ( 0.000 0.340 10.497) 10.502 31.248 ( 0.000 6.109 -20.043) 20.953 ======================= Grid point 332 (101/150) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 0.000 0.000 28.852) 28.852 3.375 ( 0.000 0.000 29.479) 29.479 3.472 ( 0.000 0.000 -5.040) 5.040 3.865 ( 0.000 0.000 -9.721) 9.721 3.992 ( 0.000 0.000 2.839) 2.839 4.306 ( 0.000 0.000 -21.544) 21.544 5.317 ( 0.000 0.000 -7.087) 7.087 5.363 ( 0.000 0.000 8.265) 8.265 5.640 ( 0.000 0.000 -5.346) 5.346 5.692 ( 0.000 0.000 -7.043) 7.043 5.763 ( 0.000 0.000 5.361) 5.361 6.672 ( 0.000 0.000 -14.704) 14.704 6.771 ( 0.000 0.000 8.804) 8.804 6.968 ( 0.000 0.000 10.254) 10.254 7.071 ( 0.000 0.000 -5.142) 5.142 7.541 ( 0.000 0.000 -11.566) 11.566 7.572 ( 0.000 0.000 8.053) 8.053 7.749 ( 0.000 0.000 -0.195) 0.195 8.507 ( 0.000 0.000 17.647) 17.647 8.989 ( 0.000 0.000 -3.040) 3.040 9.604 ( 0.000 0.000 12.867) 12.867 10.102 ( 0.000 0.000 -11.356) 11.356 12.066 ( 0.000 0.000 12.364) 12.364 12.546 ( 0.000 0.000 3.941) 3.941 13.436 ( 0.000 0.000 21.290) 21.290 13.495 ( 0.000 0.000 -18.260) 18.260 13.863 ( 0.000 0.000 -22.146) 22.146 14.207 ( 0.000 0.000 -15.438) 15.438 19.513 ( 0.000 0.000 26.900) 26.900 20.419 ( 0.000 0.000 -15.637) 15.637 27.051 ( 0.000 0.000 18.035) 18.035 27.595 ( 0.000 0.000 -7.337) 7.337 27.921 ( 0.000 0.000 1.995) 1.995 28.203 ( 0.000 0.000 -10.913) 10.913 29.830 ( 0.000 0.000 -0.449) 0.449 29.840 ( 0.000 0.000 -0.897) 0.897 ======================= Grid point 333 (102/150) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 4.057 -2.732 25.407) 25.873 3.285 ( -2.966 2.996 25.121) 25.472 3.442 ( 6.974 7.512 1.524) 10.363 3.902 ( -5.454 -5.889 -9.869) 12.721 4.162 ( 10.086 -8.289 -3.636) 13.552 4.379 ( 2.722 -6.246 -17.837) 19.094 5.226 ( -6.398 5.046 -4.779) 9.446 5.387 ( -9.131 -3.224 -2.867) 10.099 5.536 ( 1.032 2.114 7.174) 7.550 5.748 ( -0.140 -3.991 -0.734) 4.060 5.811 ( 5.419 1.599 1.707) 5.903 6.648 ( -6.678 2.091 -6.843) 9.787 6.813 ( -4.421 1.164 10.988) 11.901 6.855 ( 3.167 1.487 0.409) 3.522 7.062 ( 1.562 1.314 -4.359) 4.813 7.436 ( -8.015 5.283 -12.498) 15.759 7.585 ( 7.279 3.337 7.293) 10.830 7.771 ( 5.217 0.747 -0.875) 5.342 8.535 ( -0.532 -3.180 18.885) 19.158 9.067 ( -2.775 -8.491 -4.508) 10.006 9.595 ( -0.228 0.996 12.758) 12.799 10.085 ( -0.133 1.920 -11.107) 11.273 12.048 ( -3.180 0.018 12.841) 13.229 12.554 ( -0.527 -1.169 3.536) 3.762 13.410 ( -2.524 3.014 -3.709) 5.405 13.475 ( 3.155 2.399 6.159) 7.324 13.784 ( 1.011 8.460 -21.640) 23.257 14.231 ( 1.521 -1.615 -15.597) 15.754 19.479 ( -2.356 1.804 28.564) 28.718 20.431 ( -0.734 -1.579 -16.582) 16.673 27.019 ( 0.104 3.124 17.971) 18.241 27.560 ( -4.283 1.777 -4.134) 6.213 27.892 ( -0.319 1.143 0.872) 1.473 28.236 ( -4.225 -4.784 -11.534) 13.182 29.852 ( 3.572 -0.923 0.238) 3.697 29.916 ( 8.343 -1.994 -2.949) 9.071 ======================= Grid point 334 (103/150) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 5.127 -0.632 19.267) 19.948 3.301 ( 6.764 -1.692 24.049) 25.040 3.412 ( 3.298 -0.594 4.758) 5.820 3.917 ( -5.668 -1.457 -12.004) 13.354 4.350 ( 3.909 -2.586 -7.428) 8.783 4.568 ( 9.826 -4.525 -13.233) 17.092 5.055 ( -7.722 3.295 1.360) 8.505 5.285 ( -7.396 1.297 -3.414) 8.248 5.582 ( -1.309 -0.600 -5.798) 5.974 5.711 ( -4.021 1.332 3.469) 5.475 5.926 ( 5.341 -5.122 10.843) 13.127 6.391 ( -11.637 10.497 3.579) 16.075 6.759 ( -2.748 -1.947 1.180) 3.569 6.927 ( -0.116 -0.404 0.187) 0.460 7.068 ( 0.596 0.517 -3.221) 3.317 7.304 ( -1.209 -0.786 -9.082) 9.196 7.603 ( 8.414 3.160 6.779) 11.258 7.846 ( 9.639 -1.052 -3.779) 10.407 8.585 ( -2.720 -3.334 19.946) 20.405 9.173 ( -6.614 -7.075 -5.531) 11.153 9.558 ( -0.795 2.304 12.310) 12.549 10.025 ( -0.913 4.066 -10.563) 11.355 12.008 ( -4.706 -0.626 13.685) 14.485 12.575 ( -0.830 -1.685 2.879) 3.438 13.269 ( -0.026 9.969 -18.917) 21.383 13.474 ( 0.340 1.318 14.214) 14.279 13.626 ( 3.036 9.316 -15.887) 18.665 14.291 ( 2.169 -2.633 -15.948) 16.309 19.423 ( -2.520 1.073 31.276) 31.395 20.453 ( -1.095 -1.711 -18.043) 18.157 26.962 ( 0.388 2.889 18.025) 18.260 27.446 ( -6.386 3.875 3.376) 8.197 27.904 ( 0.339 -2.192 -3.805) 4.404 28.256 ( -5.510 -2.845 -12.290) 13.766 29.927 ( 4.469 -2.316 0.881) 5.110 30.056 ( 11.107 -1.283 -5.441) 12.434 ======================= Grid point 335 (104/150) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 4.031 -4.259 16.290) 17.313 3.396 ( 9.274 -0.693 13.525) 16.414 3.572 ( 4.843 -8.744 10.389) 14.417 3.830 ( -4.616 4.329 -8.626) 10.699 4.337 ( -4.356 3.331 3.574) 6.546 4.621 ( 8.195 9.736 -8.729) 15.432 5.016 ( -2.526 -5.316 1.230) 6.013 5.230 ( -2.916 -1.338 -6.401) 7.160 5.518 ( -5.282 1.917 -5.436) 7.818 5.652 ( -6.900 -1.711 -3.529) 7.937 5.984 ( 3.956 6.918 -0.085) 7.970 6.134 ( -8.336 5.165 0.709) 9.832 6.741 ( -5.896 -1.354 2.047) 6.386 6.971 ( -1.510 -6.221 0.216) 6.405 7.078 ( 3.167 -1.487 4.199) 5.465 7.384 ( 4.365 -1.973 -3.982) 6.229 7.683 ( 8.948 -3.072 9.184) 13.186 8.025 ( 11.740 -5.590 -4.903) 13.896 8.580 ( -4.388 -0.215 19.982) 20.459 9.143 ( -10.234 1.086 -2.409) 10.570 9.512 ( -0.725 1.290 10.141) 10.248 9.922 ( -1.907 5.196 -9.960) 11.394 11.988 ( -3.945 -2.462 13.528) 14.305 12.584 ( -0.598 0.351 2.284) 2.387 13.092 ( 1.017 8.514 -18.388) 20.289 13.383 ( 0.342 7.470 -20.394) 21.722 13.573 ( 2.215 0.797 15.516) 15.694 14.362 ( 1.899 -2.466 -16.410) 16.703 19.394 ( -1.430 -0.161 32.769) 32.801 20.468 ( -0.871 -1.113 -18.701) 18.754 26.932 ( 0.786 1.037 18.132) 18.178 27.310 ( -5.446 3.673 8.994) 11.137 27.966 ( 1.144 -3.535 -8.392) 9.178 28.224 ( -4.870 0.249 -12.439) 13.361 30.015 ( 3.436 -2.326 1.253) 4.334 30.175 ( 8.436 -0.212 -6.285) 10.522 ======================= Grid point 336 (105/150) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 1.747 -3.634 12.687) 13.313 3.558 ( 6.772 -7.079 10.216) 14.154 3.676 ( -3.689 0.560 5.369) 6.538 3.735 ( 4.061 4.631 0.021) 6.159 4.189 ( -6.044 3.320 11.431) 13.350 4.514 ( 3.097 5.716 1.514) 6.675 5.109 ( 0.315 -3.735 -4.244) 5.663 5.248 ( 0.235 -1.325 -11.067) 11.148 5.408 ( -5.096 2.012 -0.514) 5.503 5.698 ( -3.358 -7.439 -9.314) 12.384 5.843 ( 5.998 9.594 -5.706) 12.672 5.970 ( -6.950 4.376 -6.991) 10.785 6.755 ( -2.908 -4.165 5.686) 7.624 6.983 ( 0.813 2.328 3.448) 4.239 7.198 ( 0.822 -5.162 -0.135) 5.229 7.420 ( 2.112 1.286 -4.513) 5.146 7.897 ( 7.797 -7.560 17.455) 20.558 8.200 ( 2.792 -1.319 0.222) 3.096 8.545 ( 0.323 -0.712 14.727) 14.748 8.963 ( -8.155 4.893 2.028) 9.724 9.499 ( -0.183 -0.037 7.903) 7.905 9.823 ( -1.252 2.786 -9.524) 10.002 12.008 ( -1.573 -2.178 12.757) 13.037 12.549 ( -0.010 2.122 -0.147) 2.127 13.010 ( 0.529 1.797 -12.935) 13.070 13.274 ( 0.272 3.835 -32.613) 32.839 13.588 ( 0.662 -0.220 22.038) 22.049 14.410 ( 0.754 -1.002 -16.743) 16.790 19.391 ( -0.405 -0.273 33.195) 33.199 20.475 ( -0.318 -0.371 -18.755) 18.761 26.934 ( 0.594 -0.070 18.156) 18.166 27.215 ( -2.313 1.690 11.761) 12.105 28.048 ( 1.958 -3.250 -12.376) 12.945 28.154 ( -3.283 2.185 -11.063) 11.745 30.072 ( 1.251 -0.986 1.315) 2.065 30.237 ( 3.085 0.106 -6.152) 6.883 ======================= Grid point 342 (106/150) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 6.083 -0.000 26.772) 27.454 3.271 ( -4.387 0.000 19.751) 20.232 3.674 ( 13.092 -0.000 -0.897) 13.123 3.777 ( -3.571 0.000 -11.043) 11.606 4.197 ( 14.490 -0.000 3.484) 14.903 4.352 ( 4.103 -0.000 -14.759) 15.319 5.200 ( -8.899 0.000 -9.510) 13.024 5.222 ( -12.478 0.000 -5.056) 13.464 5.609 ( 1.814 -0.000 16.179) 16.281 5.627 ( -2.878 0.000 -1.216) 3.124 5.925 ( 6.004 -0.000 -2.274) 6.420 6.606 ( -8.049 0.000 0.077) 8.050 6.738 ( -7.450 0.000 7.618) 10.655 6.938 ( 7.752 -0.000 -4.198) 8.816 7.082 ( 0.654 -0.000 -3.791) 3.847 7.371 ( -13.177 0.000 -14.294) 19.441 7.713 ( 8.917 -0.000 6.200) 10.861 7.820 ( 3.715 -0.000 0.680) 3.777 8.506 ( -0.142 0.000 15.783) 15.784 8.942 ( -4.259 0.000 -2.729) 5.058 9.600 ( -0.462 0.000 13.020) 13.028 10.101 ( -0.249 0.000 -11.308) 11.311 11.998 ( -5.979 0.000 13.249) 14.536 12.535 ( -0.982 0.000 2.518) 2.703 13.403 ( -1.347 0.000 7.577) 7.696 13.545 ( 3.057 -0.000 -3.429) 4.594 13.877 ( 1.432 -0.000 -21.566) 21.614 14.241 ( 2.803 -0.000 -15.862) 16.108 19.458 ( -4.715 0.000 28.825) 29.208 20.404 ( -1.346 0.000 -16.005) 16.061 27.052 ( 0.101 -0.000 17.206) 17.206 27.501 ( -8.955 0.000 -3.246) 9.525 27.904 ( -1.384 0.000 1.077) 1.753 28.134 ( -3.787 0.000 -8.481) 9.289 29.874 ( 3.822 -0.000 1.905) 4.270 30.047 ( 16.690 -0.000 -7.345) 18.234 ======================= Grid point 343 (107/150) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 4.079 -1.319 23.260) 23.652 3.240 ( -0.697 -2.189 19.691) 19.825 3.648 ( 11.278 9.340 -1.979) 14.776 3.846 ( 1.710 -3.104 -11.505) 12.038 4.366 ( 5.785 0.012 -4.264) 7.186 4.526 ( 12.492 -11.129 -4.720) 17.383 5.028 ( -9.895 3.653 -6.376) 12.325 5.164 ( -9.854 -3.039 -9.435) 13.977 5.524 ( -3.914 0.971 8.365) 9.287 5.761 ( 2.341 -3.496 6.078) 7.392 5.907 ( 2.684 2.626 5.665) 6.796 6.411 ( -13.914 5.958 6.475) 16.463 6.730 ( 0.600 -1.281 -2.524) 2.893 6.956 ( 0.167 5.165 -3.721) 6.368 7.096 ( 0.577 0.921 -2.962) 3.155 7.253 ( -3.976 -3.315 -12.153) 13.209 7.752 ( 6.072 3.742 5.833) 9.214 7.879 ( 3.777 -2.643 -0.852) 4.688 8.515 ( -1.460 -1.478 15.221) 15.362 8.962 ( -6.757 -6.937 -3.698) 10.366 9.580 ( -1.394 1.363 12.973) 13.119 10.074 ( -1.075 2.380 -11.152) 11.453 11.933 ( -6.964 -0.710 14.236) 15.864 12.535 ( -1.149 -1.264 1.090) 2.026 13.378 ( -0.266 2.568 -3.080) 4.019 13.537 ( 2.516 3.491 6.805) 8.051 13.824 ( 2.684 7.568 -20.287) 21.818 14.283 ( 2.941 -1.219 -16.096) 16.408 19.399 ( -4.554 0.386 31.098) 31.432 20.404 ( -1.643 -1.692 -16.962) 17.125 27.021 ( -0.007 3.014 16.441) 16.715 27.391 ( -10.622 0.210 2.399) 10.892 27.885 ( -0.321 -0.209 -1.293) 1.349 28.144 ( -2.749 -3.342 -8.763) 9.774 29.932 ( 4.349 -1.343 3.874) 5.977 30.222 ( 17.104 1.271 -10.919) 20.332 ======================= Grid point 344 (108/150) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -0.305 -1.371 20.306) 20.355 3.331 ( -2.035 -5.917 18.425) 19.459 3.680 ( 17.914 3.351 1.636) 18.298 3.883 ( 2.269 1.599 -12.537) 12.840 4.343 ( -4.326 3.118 4.606) 7.046 4.798 ( 6.168 1.118 -15.803) 17.001 4.915 ( -1.381 -3.357 2.688) 4.517 5.138 ( -4.715 -4.050 -6.649) 9.102 5.454 ( -9.755 -0.089 2.307) 10.025 5.661 ( 0.335 7.953 -1.658) 8.131 6.034 ( 3.156 -4.751 11.681) 12.999 6.188 ( -6.096 6.047 -3.776) 9.380 6.702 ( -6.173 3.636 -4.520) 8.471 6.847 ( -1.652 -2.211 -0.735) 2.856 7.124 ( 5.692 -1.228 2.946) 6.525 7.377 ( 5.660 -4.735 -4.394) 8.589 7.746 ( 4.222 1.641 7.793) 9.014 8.002 ( 4.196 -6.247 -3.574) 8.331 8.515 ( -3.708 -1.404 15.455) 15.955 8.997 ( -9.398 -5.028 -3.989) 11.380 9.521 ( -2.944 2.131 12.288) 12.814 9.989 ( -2.444 4.663 -10.931) 12.133 11.890 ( -5.767 -2.366 14.748) 16.011 12.556 ( -0.881 -1.948 0.289) 2.157 13.276 ( 0.878 8.755 -16.913) 19.064 13.501 ( 2.152 3.372 11.747) 12.410 13.689 ( 2.770 9.096 -12.831) 15.970 14.343 ( 2.405 -2.076 -16.368) 16.674 19.364 ( -2.653 -0.808 32.861) 32.978 20.425 ( -1.410 -2.176 -18.047) 18.232 26.965 ( -0.383 2.373 16.361) 16.537 27.283 ( -7.806 0.803 7.836) 11.090 27.917 ( 0.663 -2.856 -5.558) 6.283 28.165 ( -2.443 -1.669 -9.746) 10.185 30.001 ( 2.955 -1.654 5.014) 6.050 30.341 ( 13.639 3.644 -11.681) 18.323 ======================= Grid point 345 (109/150) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -1.358 -5.676 17.454) 18.404 3.398 ( -5.055 -6.615 15.851) 17.904 3.778 ( 6.756 5.879 -1.602) 9.098 3.875 ( 6.512 3.130 -0.494) 7.242 4.204 ( -3.497 3.736 9.229) 10.553 4.645 ( -6.170 8.771 -4.800) 11.749 5.045 ( 3.126 -4.765 -3.790) 6.844 5.231 ( 3.291 -5.313 -7.216) 9.546 5.341 ( -7.494 0.927 -2.074) 7.831 5.610 ( 3.284 0.031 -5.770) 6.639 5.975 ( -7.589 4.316 -3.247) 9.314 6.078 ( 3.408 7.557 -8.440) 11.830 6.637 ( -2.441 -3.406 5.529) 6.937 6.960 ( 1.039 -7.396 -4.966) 8.969 7.206 ( 7.652 1.875 9.195) 12.109 7.475 ( 4.099 0.137 -2.886) 5.015 7.831 ( 4.537 -6.320 13.535) 15.612 8.150 ( -1.035 -5.186 -1.280) 5.441 8.505 ( -2.410 -2.253 14.032) 14.415 8.931 ( -8.199 0.784 -0.493) 8.251 9.466 ( -3.771 -0.439 9.911) 10.613 9.870 ( -2.740 4.597 -10.667) 11.934 11.907 ( -3.438 -4.754 13.802) 14.997 12.574 ( -0.333 -0.257 0.519) 0.668 13.120 ( 1.511 8.457 -18.569) 20.460 13.413 ( 2.451 8.805 -17.365) 19.624 13.607 ( 0.873 1.978 14.555) 14.715 14.398 ( 1.347 -1.509 -16.673) 16.795 19.368 ( -0.965 -1.433 33.389) 33.433 20.450 ( -0.804 -1.758 -18.498) 18.599 26.934 ( -0.979 0.402 17.015) 17.048 27.208 ( -3.364 0.615 10.936) 11.459 27.994 ( 1.071 -4.289 -10.214) 11.129 28.152 ( -1.540 0.624 -9.938) 10.076 30.044 ( 0.104 -1.080 5.120) 5.234 30.374 ( 8.844 5.690 -10.575) 14.914 ======================= Grid point 346 (110/150) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -5.628 -1.755 13.075) 14.343 3.478 ( -7.795 -9.493 10.004) 15.842 3.663 ( -3.525 8.403 10.587) 13.968 3.821 ( 6.173 3.927 3.514) 8.117 4.223 ( 7.232 0.017 1.255) 7.341 4.434 ( -8.989 3.854 2.804) 10.175 5.136 ( 1.405 -2.005 -5.564) 6.079 5.282 ( -1.195 0.389 -5.158) 5.309 5.378 ( 5.125 -5.103 -7.267) 10.253 5.659 ( 1.117 -2.619 -3.894) 4.825 5.841 ( -5.310 3.821 -9.311) 11.379 6.027 ( 10.014 1.843 -8.247) 13.104 6.724 ( -0.266 -5.971 7.674) 9.727 7.064 ( 5.386 1.302 -1.966) 5.880 7.210 ( 0.962 0.999 4.049) 4.279 7.463 ( 2.954 4.831 -3.864) 6.855 7.923 ( -6.179 2.846 16.586) 17.927 8.143 ( -6.651 -1.917 1.520) 7.087 8.520 ( -3.178 -1.547 14.852) 15.267 8.937 ( 5.872 -5.768 2.596) 8.631 9.455 ( -3.850 -2.477 8.150) 9.348 9.800 ( -0.820 0.221 -10.301) 10.336 11.979 ( -1.037 -5.120 12.580) 13.621 12.552 ( 0.222 1.932 -0.335) 1.973 13.029 ( 1.186 3.191 -13.861) 14.273 13.290 ( 1.140 5.347 -31.433) 31.904 13.593 ( -0.104 0.701 22.221) 22.233 14.418 ( 0.036 0.247 -16.746) 16.748 19.386 ( -0.047 -0.985 33.288) 33.303 20.470 ( -0.170 -1.011 -18.648) 18.676 26.921 ( -1.619 -0.241 18.072) 18.146 27.201 ( 0.822 -1.547 11.618) 11.750 28.061 ( -1.067 -0.687 -13.437) 13.497 28.144 ( 2.332 -1.604 -9.862) 10.260 30.038 ( -3.123 -0.021 4.477) 5.458 30.326 ( 4.073 6.866 -8.900) 11.955 ======================= Grid point 347 (111/150) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -11.562 2.150 12.922) 17.472 3.447 ( -1.464 10.179 15.014) 18.199 3.566 ( -5.309 -4.675 2.244) 7.421 3.891 ( 10.186 -0.157 2.571) 10.506 4.314 ( 3.305 -3.749 0.932) 5.084 4.347 ( -10.145 -5.707 2.340) 11.873 5.137 ( 2.459 3.964 -2.528) 5.306 5.264 ( 0.245 0.408 -5.864) 5.883 5.514 ( 2.888 -4.338 -11.391) 12.527 5.719 ( -1.389 1.954 -13.083) 13.301 5.816 ( 4.378 -8.841 7.306) 12.276 6.177 ( 11.210 -2.682 -5.250) 12.665 6.807 ( 0.709 -2.577 6.580) 7.103 7.029 ( 4.024 6.777 11.269) 13.752 7.192 ( 0.245 3.191 -6.328) 7.091 7.396 ( 2.407 4.392 -3.337) 6.018 7.681 ( -10.769 7.943 9.023) 16.139 7.980 ( -15.961 5.903 -3.574) 17.389 8.589 ( 3.204 -4.116 23.374) 23.948 9.168 ( 9.463 -7.185 0.905) 11.916 9.469 ( -2.782 -2.850 8.284) 9.192 9.845 ( 0.648 -4.471 -10.012) 10.984 12.040 ( 1.282 -0.916 12.618) 12.716 12.552 ( 0.188 -2.176 -0.018) 2.184 13.007 ( 0.177 -0.164 -12.463) 12.466 13.277 ( 0.393 -3.113 -33.611) 33.758 13.569 ( -0.934 1.396 22.456) 22.519 14.390 ( -0.915 2.148 -16.505) 16.669 19.401 ( 0.470 -0.492 32.946) 32.953 20.482 ( 0.281 -0.219 -18.837) 18.840 26.909 ( -1.253 -0.378 18.853) 18.899 27.277 ( 2.771 -4.282 10.113) 11.327 28.016 ( -0.914 2.899 -10.092) 10.540 28.238 ( 3.842 -3.431 -13.979) 14.898 29.982 ( -5.352 1.093 3.584) 6.534 30.218 ( 0.252 7.211 -7.247) 10.226 ======================= Grid point 348 (112/150) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -7.232 -0.629 13.835) 15.624 3.284 ( -1.036 5.575 23.935) 24.598 3.499 ( -2.438 5.739 1.151) 6.340 4.024 ( 11.211 0.254 -3.530) 11.756 4.302 ( -8.489 -2.551 -9.877) 13.272 4.465 ( -2.924 -6.824 -3.352) 8.146 5.096 ( 3.126 1.885 3.619) 5.140 5.286 ( 1.565 -1.823 -1.151) 2.664 5.580 ( 1.110 -1.415 -15.097) 15.204 5.718 ( -0.861 -2.588 -10.416) 10.767 5.998 ( 3.807 0.452 15.090) 15.569 6.313 ( 6.448 -5.242 5.110) 9.755 6.847 ( 3.318 0.478 4.587) 5.681 6.927 ( -2.268 2.911 7.511) 8.369 7.117 ( 0.996 5.686 -5.838) 8.210 7.364 ( 5.252 3.634 -6.034) 8.786 7.505 ( -6.303 1.786 3.602) 7.476 7.731 ( -13.471 0.846 -4.692) 14.290 8.655 ( 2.129 0.553 23.610) 23.713 9.314 ( 5.013 0.897 -4.290) 6.659 9.507 ( -0.751 -3.602 11.121) 11.714 9.946 ( 0.429 -5.308 -10.166) 11.477 12.054 ( 1.847 0.587 13.028) 13.171 12.595 ( 0.337 -0.862 3.277) 3.405 13.078 ( -0.321 -8.355 -18.016) 19.861 13.392 ( 0.727 -8.246 -26.516) 27.778 13.526 ( -1.676 1.571 20.383) 20.512 14.329 ( -0.951 3.180 -16.082) 16.421 19.419 ( 0.723 -0.974 32.119) 32.142 20.482 ( 0.390 0.633 -18.813) 18.828 26.916 ( -0.481 -1.543 19.012) 19.081 27.399 ( 2.399 -5.683 6.416) 8.901 27.953 ( -0.185 3.182 -6.590) 7.320 28.323 ( 3.313 -1.229 -15.689) 16.081 29.898 ( -4.908 1.712 2.844) 5.925 30.080 ( -1.473 6.828 -5.527) 8.907 ======================= Grid point 349 (113/150) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -0.000 -1.228 17.266) 17.309 3.236 ( -0.000 -1.222 29.800) 29.825 3.383 ( 0.000 3.768 2.575) 4.564 4.041 ( 0.000 4.512 -6.755) 8.123 4.238 ( 0.000 4.680 -14.064) 14.822 4.470 ( 0.000 3.805 -13.604) 14.126 5.154 ( -0.000 -5.295 1.869) 5.615 5.379 ( -0.000 -7.138 4.136) 8.250 5.575 ( 0.000 4.168 -12.992) 13.644 5.761 ( -0.000 -1.774 -10.397) 10.547 5.858 ( 0.000 9.551 24.573) 26.364 6.554 ( -0.000 -13.306 1.953) 13.448 6.853 ( 0.000 3.313 3.110) 4.544 6.858 ( 0.000 3.142 1.895) 3.669 7.035 ( 0.000 1.061 -3.498) 3.656 7.384 ( -0.000 -3.155 -11.437) 11.864 7.484 ( -0.000 -2.871 5.829) 6.497 7.697 ( -0.000 -3.007 -2.608) 3.981 8.617 ( 0.000 4.322 21.800) 22.225 9.248 ( 0.000 8.116 -6.071) 10.136 9.565 ( -0.000 -2.523 12.298) 12.554 10.033 ( -0.000 -3.853 -10.604) 11.282 12.062 ( -0.000 -0.131 13.071) 13.072 12.585 ( 0.000 1.605 3.817) 4.141 13.270 ( -0.000 -11.083 -19.879) 22.759 13.476 ( 0.000 2.008 21.893) 21.985 13.585 ( -0.000 -11.375 -23.463) 26.075 14.266 ( 0.000 2.925 -15.716) 15.986 19.452 ( -0.000 -2.038 30.405) 30.473 20.465 ( 0.000 1.501 -18.023) 18.086 26.957 ( -0.000 -3.115 18.645) 18.903 27.516 ( -0.000 -5.120 0.744) 5.174 27.902 ( 0.000 2.024 -2.298) 3.062 28.333 ( 0.000 2.482 -15.247) 15.447 29.839 ( 0.000 1.299 1.860) 2.269 29.956 ( 0.000 5.391 -3.572) 6.467 ======================= Grid point 352 (114/150) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 3.621 -0.000 21.566) 21.868 3.222 ( -0.167 0.000 17.700) 17.700 3.765 ( 3.333 -0.000 -11.088) 11.578 3.951 ( 12.010 -0.000 -11.663) 16.741 4.443 ( 2.699 -0.000 3.002) 4.037 4.538 ( 16.524 -0.000 3.895) 16.977 4.974 ( -9.036 0.000 -8.275) 12.252 5.033 ( -4.975 0.000 -12.401) 13.362 5.490 ( -9.614 0.000 6.795) 11.773 5.732 ( 8.046 -0.000 15.442) 17.413 5.986 ( 0.709 -0.000 0.935) 1.174 6.302 ( -14.385 0.000 8.243) 16.579 6.743 ( 3.728 -0.000 -4.043) 5.500 7.024 ( -14.047 0.000 -10.444) 17.504 7.112 ( -2.225 0.000 -3.370) 4.038 7.145 ( 10.505 -0.000 -6.086) 12.140 7.845 ( 2.995 -0.000 2.700) 4.032 7.856 ( -0.557 0.000 -0.379) 0.673 8.489 ( -1.972 0.000 12.109) 12.269 8.824 ( -6.613 0.000 -1.778) 6.848 9.576 ( -2.027 0.000 13.294) 13.448 10.084 ( -1.480 0.000 -11.484) 11.579 11.847 ( -7.455 0.000 15.059) 16.803 12.510 ( -1.225 0.000 -1.104) 1.649 13.403 ( 1.363 -0.000 4.482) 4.685 13.598 ( 1.683 -0.000 2.580) 3.080 13.926 ( 3.112 -0.000 -20.459) 20.694 14.304 ( 2.776 -0.000 -16.412) 16.646 19.349 ( -4.791 0.000 32.141) 32.496 20.369 ( -1.772 0.000 -16.694) 16.788 27.054 ( 0.047 -0.000 14.797) 14.797 27.261 ( -12.077 0.000 4.858) 13.018 27.874 ( -1.155 0.000 -0.209) 1.174 28.106 ( 0.926 -0.000 -8.367) 8.418 29.971 ( 4.915 -0.000 7.039) 8.585 30.419 ( 16.663 -0.000 -15.239) 22.580 ======================= Grid point 353 (115/150) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -2.385 2.284 19.301) 19.582 3.273 ( 3.202 -2.651 18.729) 19.185 3.846 ( 8.344 -1.309 -8.967) 12.319 4.005 ( 10.887 4.750 -12.659) 17.359 4.383 ( -4.036 5.463 8.728) 11.059 4.795 ( 4.677 -6.603 -6.544) 10.406 4.885 ( 1.805 0.064 -3.253) 3.721 5.035 ( -2.044 -2.304 -6.022) 6.764 5.368 ( -8.517 0.868 6.728) 10.888 5.810 ( -1.048 3.626 -4.840) 6.138 5.976 ( 6.343 -2.039 16.251) 17.563 6.181 ( -6.853 0.881 -0.521) 6.929 6.713 ( -6.717 5.559 -5.768) 10.454 6.849 ( -1.638 1.499 -5.411) 5.849 7.134 ( 3.205 -2.854 3.135) 5.315 7.334 ( 7.612 -6.673 -5.557) 11.548 7.807 ( -0.351 2.327 3.494) 4.213 7.910 ( -1.067 -4.663 -1.947) 5.165 8.462 ( -3.826 -0.355 11.652) 12.269 8.804 ( -7.743 -5.040 -2.242) 9.507 9.528 ( -3.614 2.168 13.242) 13.896 10.036 ( -2.406 3.034 -11.789) 12.409 11.788 ( -6.073 -1.680 15.691) 16.909 12.512 ( -0.896 -1.477 -2.684) 3.192 13.400 ( 2.128 3.187 -3.225) 5.008 13.576 ( 1.174 2.982 10.148) 10.642 13.890 ( 3.361 7.542 -19.497) 21.173 14.338 ( 2.069 -1.031 -16.409) 16.571 19.314 ( -3.093 -1.014 33.339) 33.498 20.369 ( -1.537 -1.872 -17.305) 17.474 27.008 ( -1.801 3.441 13.770) 14.307 27.179 ( -7.925 -2.554 8.245) 11.718 27.878 ( -0.295 -1.533 -1.976) 2.519 28.133 ( 1.190 -0.981 -8.844) 8.977 30.023 ( 3.913 -0.197 9.076) 9.886 30.552 ( 13.262 3.048 -16.602) 21.466 ======================= Grid point 354 (116/150) ======================= q-point: ( 0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -4.308 -2.364 21.357) 21.915 3.330 ( 2.259 0.033 18.572) 18.709 3.915 ( 3.509 3.359 -8.125) 9.466 4.026 ( 5.859 5.742 0.965) 8.260 4.236 ( -0.528 2.207 1.492) 2.715 4.701 ( -8.206 5.895 -9.017) 13.542 5.007 ( 1.774 -1.880 1.230) 2.862 5.113 ( 0.146 -6.096 2.192) 6.480 5.329 ( 1.482 -2.007 -6.045) 6.540 5.719 ( 3.908 4.462 -8.506) 10.370 5.964 ( -8.176 4.624 -0.095) 9.393 6.161 ( 1.649 0.278 -5.894) 6.127 6.589 ( -1.599 -0.096 4.763) 5.025 6.871 ( 1.591 -2.827 -2.923) 4.367 7.284 ( 8.919 -5.001 7.125) 12.463 7.501 ( 5.919 -3.002 -1.841) 6.887 7.785 ( 0.478 -1.148 7.379) 7.483 8.002 ( -4.356 -7.216 -1.801) 8.619 8.429 ( -4.760 -1.525 12.360) 13.333 8.815 ( -6.751 -4.465 -2.042) 8.347 9.432 ( -5.240 2.399 12.479) 13.745 9.930 ( -2.871 5.054 -12.277) 13.584 11.787 ( -3.810 -3.914 15.332) 16.276 12.542 ( -0.406 -2.240 -2.786) 3.598 13.304 ( 1.619 8.980 -15.148) 17.684 13.551 ( 2.259 1.994 16.234) 16.512 13.739 ( 1.913 11.145 -15.884) 19.498 14.383 ( 1.287 -1.682 -16.490) 16.625 19.322 ( -1.271 -2.132 33.766) 33.857 20.399 ( -1.008 -2.609 -17.929) 18.146 26.932 ( -2.696 1.629 14.976) 15.304 27.163 ( -3.138 -1.701 9.804) 10.434 27.925 ( 0.185 -3.606 -5.829) 6.856 28.153 ( 0.805 0.028 -9.228) 9.263 30.051 ( 1.687 0.565 9.716) 9.878 30.583 ( 8.880 6.212 -15.650) 19.036 ======================= Grid point 355 (117/150) ======================= q-point: ( 0.56 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -4.150 -7.000 21.684) 23.161 3.314 ( -2.694 1.287 15.215) 15.505 3.753 ( -5.430 7.923 14.134) 17.089 3.979 ( 6.202 4.484 -2.692) 8.113 4.300 ( 5.390 -0.541 -8.158) 9.793 4.456 ( -8.942 9.324 -6.232) 14.344 5.084 ( 1.276 -4.525 0.060) 4.702 5.173 ( -3.005 -4.697 2.855) 6.264 5.430 ( 7.468 -0.852 -13.685) 15.614 5.713 ( 4.190 3.356 -7.515) 9.236 5.799 ( -7.789 0.772 -5.182) 9.387 6.151 ( 4.532 1.994 -9.155) 10.408 6.633 ( 0.377 -3.604 8.523) 9.261 6.976 ( 0.040 -7.076 -5.282) 8.830 7.396 ( 10.330 5.723 7.442) 13.959 7.578 ( 6.187 0.767 -0.386) 6.247 7.867 ( -1.027 -4.020 11.035) 11.789 8.005 ( -10.987 -2.451 1.788) 11.398 8.423 ( -5.785 -3.437 14.866) 16.317 8.874 ( 2.576 -6.578 0.559) 7.087 9.359 ( -5.791 -1.167 10.609) 12.143 9.819 ( -1.838 3.470 -12.391) 12.998 11.851 ( -1.777 -6.262 13.784) 15.244 12.570 ( -0.036 -0.652 -1.229) 1.392 13.150 ( 1.220 8.369 -18.099) 19.977 13.475 ( 2.962 11.031 -18.006) 21.323 13.609 ( -0.540 1.824 16.654) 16.762 14.416 ( 0.432 -0.775 -16.624) 16.647 19.355 ( -0.276 -2.143 33.601) 33.671 20.437 ( -0.427 -2.252 -18.272) 18.415 26.896 ( -2.012 -0.186 16.851) 16.972 27.175 ( -0.261 -1.723 10.543) 10.686 28.003 ( 0.009 -4.248 -10.574) 11.395 28.154 ( 1.073 0.454 -9.217) 9.290 30.035 ( -0.690 1.708 9.180) 9.363 30.519 ( 4.674 8.446 -13.604) 16.681 ======================= Grid point 356 (118/150) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -5.627 4.760 16.786) 18.333 3.358 ( -2.926 -10.786 11.999) 16.398 3.612 ( -0.651 6.377 12.498) 14.046 3.985 ( 8.480 2.833 1.811) 9.123 4.202 ( -10.162 1.705 2.226) 10.542 4.352 ( 2.564 2.572 -8.000) 8.785 5.166 ( 1.366 -3.220 -2.672) 4.401 5.235 ( -1.963 -2.589 -0.834) 3.355 5.482 ( 2.621 -0.397 -17.500) 17.700 5.719 ( 0.582 -0.892 -9.390) 9.450 5.757 ( 0.054 -1.502 3.385) 3.704 6.229 ( 7.080 -2.758 -9.107) 11.861 6.707 ( -1.497 -5.175 9.429) 10.860 7.103 ( -0.862 -6.669 -7.409) 10.006 7.320 ( 7.694 12.569 12.242) 19.159 7.601 ( 10.683 6.261 -2.010) 12.544 7.727 ( -9.019 8.202 5.629) 13.427 7.902 ( -14.712 3.088 -1.123) 15.075 8.493 ( 0.135 -8.006 24.926) 26.180 9.096 ( 6.789 -10.068 1.024) 12.186 9.353 ( -4.868 -4.203 9.771) 11.698 9.788 ( -0.312 -1.437 -11.565) 11.659 11.965 ( -0.340 -6.808 12.361) 14.116 12.556 ( 0.149 1.732 -0.543) 1.821 13.051 ( 0.639 3.769 -14.610) 15.102 13.312 ( 0.704 6.780 -30.824) 31.569 13.588 ( -0.226 1.100 22.802) 22.830 14.415 ( -0.149 1.046 -16.581) 16.615 19.387 ( 0.060 -1.368 33.245) 33.273 20.468 ( -0.039 -1.415 -18.567) 18.621 26.889 ( -0.959 -0.591 18.439) 18.473 27.224 ( 0.803 -3.348 10.413) 10.967 28.042 ( -0.424 0.272 -11.598) 11.609 28.194 ( 1.557 -3.626 -11.831) 12.472 29.980 ( -1.783 2.644 7.859) 8.481 30.385 ( 1.438 9.381 -11.170) 14.657 ======================= Grid point 357 (119/150) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 0.000 2.924 15.485) 15.759 3.442 ( 0.000 10.764 17.222) 20.309 3.505 ( -0.000 -4.442 -0.571) 4.479 4.088 ( -0.000 -7.310 -8.044) 10.870 4.143 ( -0.000 -0.012 13.235) 13.235 4.348 ( -0.000 -2.794 -3.557) 4.523 5.180 ( 0.000 4.687 -0.794) 4.754 5.251 ( -0.000 -3.418 -3.070) 4.594 5.535 ( -0.000 -3.294 -17.660) 17.964 5.692 ( 0.000 0.808 -14.828) 14.850 5.901 ( -0.000 -9.835 13.295) 16.537 6.325 ( -0.000 -1.748 -4.279) 4.622 6.793 ( -0.000 -5.039 8.267) 9.682 7.096 ( 0.000 14.356 16.910) 22.182 7.178 ( -0.000 -1.010 -8.086) 8.149 7.531 ( 0.000 6.198 2.311) 6.615 7.579 ( 0.000 9.426 -5.399) 10.863 7.660 ( 0.000 4.567 -2.902) 5.411 8.628 ( -0.000 -4.972 26.112) 26.581 9.298 ( -0.000 -6.153 -2.258) 6.554 9.412 ( -0.000 -5.290 11.172) 12.361 9.851 ( -0.000 -4.912 -10.532) 11.621 12.054 ( -0.000 -2.309 12.465) 12.677 12.554 ( -0.000 -2.171 0.037) 2.171 13.010 ( 0.000 0.560 -12.387) 12.399 13.283 ( -0.000 -3.014 -34.027) 34.160 13.557 ( 0.000 2.020 22.831) 22.920 14.379 ( 0.000 2.621 -16.349) 16.557 19.407 ( -0.000 -0.834 32.803) 32.813 20.485 ( -0.000 -0.461 -18.867) 18.872 26.895 ( -0.000 -0.647 19.191) 19.202 27.309 ( -0.000 -5.180 9.056) 10.433 28.008 ( 0.000 2.717 -9.221) 9.613 28.284 ( -0.000 -4.352 -15.439) 16.040 29.916 ( 0.000 2.775 5.909) 6.528 30.222 ( 0.000 8.913 -8.456) 12.286 ======================= Grid point 362 (120/150) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -2.622 0.000 16.893) 17.096 3.265 ( 4.003 -0.000 18.657) 19.081 3.943 ( 13.120 -0.000 -7.717) 15.221 4.146 ( 6.102 -0.000 -17.503) 18.536 4.390 ( -7.356 0.000 9.184) 11.767 4.753 ( -1.901 0.000 -7.830) 8.057 4.930 ( 8.749 -0.000 0.288) 8.753 5.017 ( 1.633 -0.000 -2.160) 2.708 5.286 ( -7.925 0.000 8.881) 11.903 5.769 ( -7.195 0.000 0.502) 7.213 6.105 ( 12.320 -0.000 5.347) 13.430 6.106 ( -3.645 0.000 0.943) 3.765 6.727 ( -10.883 0.000 -6.496) 12.674 6.824 ( 3.263 -0.000 -4.228) 5.340 7.116 ( 1.078 -0.000 5.491) 5.595 7.354 ( 8.939 -0.000 -6.014) 10.774 7.807 ( -3.554 0.000 -1.981) 4.069 7.845 ( -2.282 0.000 -0.459) 2.327 8.412 ( -5.145 0.000 10.574) 11.759 8.680 ( -6.582 0.000 -0.603) 6.609 9.512 ( -3.833 0.000 13.642) 14.170 10.040 ( -2.445 0.000 -12.324) 12.564 11.713 ( -4.827 0.000 16.321) 17.020 12.490 ( -0.664 0.000 -4.971) 5.015 13.454 ( 3.239 -0.000 4.412) 5.473 13.612 ( -0.294 0.000 5.841) 5.849 13.999 ( 3.469 -0.000 -19.610) 19.914 14.347 ( 1.210 -0.000 -16.377) 16.422 19.274 ( -2.251 0.000 33.890) 33.964 20.336 ( -1.280 0.000 -17.080) 17.128 27.041 ( -8.266 0.000 9.808) 12.827 27.054 ( -0.056 0.000 11.631) 11.631 27.860 ( -0.251 0.000 -0.374) 0.450 28.146 ( 2.252 -0.000 -9.000) 9.278 30.064 ( 3.575 -0.000 11.863) 12.390 30.708 ( 10.447 -0.000 -19.037) 21.715 ======================= Grid point 363 (121/150) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -3.066 3.892 20.091) 20.693 3.361 ( 4.934 -2.601 20.231) 20.986 4.037 ( 7.543 4.991 -7.804) 11.946 4.158 ( -0.031 5.134 1.988) 5.506 4.280 ( 0.960 1.141 -10.169) 10.277 4.681 ( -8.391 1.846 -10.276) 13.395 5.013 ( 1.137 0.284 7.011) 7.108 5.072 ( 5.384 -1.075 3.722) 6.633 5.267 ( 0.111 -5.590 -1.432) 5.771 5.695 ( -9.735 -2.222 -4.695) 11.034 6.043 ( 1.236 5.527 -3.637) 6.731 6.222 ( 7.599 2.248 -3.786) 8.782 6.588 ( -2.467 2.342 4.384) 5.549 6.863 ( 0.753 -0.410 -3.692) 3.790 7.213 ( 3.947 -8.268 7.990) 12.157 7.495 ( 6.655 -4.746 -4.004) 9.102 7.779 ( -1.659 -0.535 0.596) 1.842 7.842 ( -4.133 -3.587 -1.450) 5.662 8.356 ( -5.705 -0.243 11.196) 12.568 8.661 ( -5.125 -4.536 -1.097) 6.932 9.439 ( -4.133 3.237 13.750) 14.718 9.983 ( -2.243 3.380 -13.055) 13.671 11.693 ( -2.938 -2.274 16.328) 16.746 12.500 ( -0.304 -1.643 -5.802) 6.038 13.455 ( 2.752 4.565 -5.289) 7.509 13.584 ( -0.386 1.262 15.365) 15.421 13.955 ( 2.525 8.203 -19.489) 21.295 14.366 ( 0.663 -1.158 -16.204) 16.259 19.272 ( -1.024 -1.670 34.093) 34.150 20.344 ( -0.830 -2.016 -17.356) 17.492 26.936 ( -3.868 2.346 12.701) 13.483 27.092 ( -1.347 -2.968 9.477) 10.022 27.876 ( 0.047 -1.869 -1.656) 2.498 28.168 ( 1.609 0.051 -9.202) 9.342 30.087 ( 2.102 0.886 13.009) 13.208 30.763 ( 6.686 3.965 -19.018) 20.546 ======================= Grid point 364 (122/150) ======================= q-point: ( 0.56 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -2.295 -1.607 25.244) 25.399 3.398 ( 2.981 4.323 19.958) 20.637 3.866 ( -5.050 10.484 16.538) 20.222 4.076 ( 2.511 2.462 -11.732) 12.248 4.357 ( 7.100 0.648 -15.364) 16.937 4.522 ( -8.303 5.587 -11.957) 15.593 5.037 ( 2.642 -1.850 8.236) 8.844 5.095 ( -1.820 -1.594 4.258) 4.897 5.449 ( 7.592 -5.562 -7.958) 12.325 5.643 ( -10.232 -3.875 -10.252) 14.993 5.909 ( 2.364 9.910 -5.808) 11.727 6.215 ( 2.559 2.089 -9.256) 9.828 6.592 ( 0.275 -1.543 9.002) 9.137 6.889 ( 0.250 -2.635 -3.693) 4.544 7.469 ( 7.104 -11.499 8.534) 15.985 7.606 ( 3.825 -0.754 1.655) 4.236 7.801 ( -1.963 -3.194 2.856) 4.713 7.865 ( -3.747 -1.957 0.220) 4.233 8.310 ( -5.281 -1.513 14.004) 15.043 8.743 ( -0.614 -8.191 -1.548) 8.359 9.330 ( -3.387 3.430 13.385) 14.227 9.883 ( -1.280 4.975 -13.787) 14.713 11.734 ( -1.217 -4.612 15.464) 16.183 12.537 ( -0.065 -2.385 -4.763) 5.327 13.333 ( 0.842 9.677 -14.368) 17.343 13.585 ( 0.822 -0.392 21.554) 21.574 13.768 ( 0.805 13.455 -19.986) 24.107 14.398 ( 0.298 -1.547 -16.314) 16.390 19.307 ( -0.258 -2.618 33.945) 34.046 20.384 ( -0.344 -2.845 -17.768) 17.997 26.880 ( -1.584 0.683 15.002) 15.101 27.132 ( -0.427 -2.520 9.211) 9.559 27.928 ( 0.074 -3.698 -5.471) 6.603 28.174 ( 0.737 0.569 -9.260) 9.307 30.073 ( 0.477 2.149 12.594) 12.785 30.708 ( 2.963 7.381 -17.333) 19.070 ======================= Grid point 365 (123/150) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -0.000 -6.540 25.120) 25.957 3.283 ( 0.000 6.521 16.064) 17.337 3.693 ( 0.000 5.402 15.677) 16.581 4.091 ( -0.000 -1.312 -3.596) 3.828 4.252 ( 0.000 12.360 -3.839) 12.942 4.416 ( 0.000 2.147 -18.272) 18.397 5.111 ( -0.000 -2.691 3.405) 4.340 5.140 ( -0.000 -5.711 1.681) 5.953 5.518 ( 0.000 1.278 -9.835) 9.917 5.680 ( -0.000 -4.647 -17.821) 18.417 5.777 ( 0.000 5.033 2.180) 5.485 6.225 ( -0.000 -1.242 -10.295) 10.370 6.627 ( -0.000 -2.684 9.638) 10.005 6.972 ( -0.000 -6.238 -5.708) 8.455 7.568 ( 0.000 7.294 9.310) 11.827 7.715 ( -0.000 -6.133 2.666) 6.687 7.770 ( 0.000 2.773 2.805) 3.944 7.842 ( 0.000 2.560 -0.093) 2.561 8.343 ( -0.000 -6.322 21.718) 22.620 8.932 ( -0.000 -11.329 -0.733) 11.352 9.277 ( -0.000 -0.389 12.263) 12.269 9.799 ( 0.000 2.896 -13.366) 13.677 11.832 ( -0.000 -6.737 13.752) 15.314 12.570 ( -0.000 -0.777 -1.956) 2.105 13.164 ( 0.000 8.360 -17.755) 19.624 13.514 ( 0.000 13.590 -23.647) 27.274 13.597 ( 0.000 0.016 22.724) 22.724 14.420 ( -0.000 -0.509 -16.519) 16.527 19.353 ( -0.000 -2.331 33.609) 33.690 20.432 ( -0.000 -2.431 -18.169) 18.330 26.872 ( -0.000 -0.506 17.007) 17.014 27.175 ( -0.000 -2.488 9.900) 10.208 28.003 ( -0.000 -3.936 -10.255) 10.984 28.169 ( 0.000 0.014 -9.388) 9.388 30.026 ( 0.000 2.972 10.848) 11.247 30.568 ( 0.000 9.327 -14.630) 17.351 ======================= Grid point 372 (124/150) ======================= q-point: ( 0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -1.909 0.000 16.427) 16.538 3.362 ( 3.812 -0.000 24.130) 24.429 4.171 ( -4.153 0.000 10.309) 11.114 4.261 ( -1.092 0.000 -22.422) 22.449 4.268 ( 16.092 -0.000 -6.126) 17.219 4.597 ( -11.224 0.000 -11.771) 16.264 5.061 ( 3.217 -0.000 5.499) 6.371 5.134 ( 7.613 -0.000 -1.639) 7.788 5.162 ( -4.955 0.000 8.539) 9.873 5.559 ( -9.093 0.000 -1.534) 9.222 6.111 ( 1.898 -0.000 -4.615) 4.990 6.347 ( 7.507 -0.000 -7.645) 10.714 6.589 ( -2.899 0.000 6.664) 7.267 6.866 ( 0.796 -0.000 -2.802) 2.912 7.151 ( 1.753 -0.000 7.449) 7.653 7.498 ( 3.984 -0.000 -6.062) 7.254 7.734 ( -2.531 0.000 -0.446) 2.570 7.789 ( -2.031 0.000 -1.841) 2.741 8.307 ( -3.538 0.000 10.898) 11.458 8.571 ( -3.082 0.000 0.019) 3.082 9.440 ( -2.198 0.000 14.027) 14.198 9.996 ( -1.284 0.000 -13.338) 13.399 11.648 ( -1.467 0.000 16.677) 16.742 12.482 ( -0.139 0.000 -7.267) 7.268 13.526 ( 3.276 -0.000 2.964) 4.418 13.587 ( -2.072 0.000 9.223) 9.453 14.056 ( 1.607 -0.000 -19.360) 19.426 14.359 ( 0.128 -0.000 -15.928) 15.928 19.248 ( -0.467 0.000 34.209) 34.212 20.317 ( -0.436 0.000 -17.121) 17.126 26.924 ( -2.808 0.000 11.751) 12.082 27.053 ( -0.043 0.000 9.403) 9.403 27.859 ( 0.066 -0.000 0.012) 0.067 28.184 ( 1.031 -0.000 -9.311) 9.368 30.115 ( 1.249 -0.000 14.604) 14.657 30.854 ( 3.444 -0.000 -20.288) 20.578 ======================= Grid point 373 (125/150) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 0.000 4.181 21.205) 21.614 3.432 ( -0.000 -2.846 23.842) 24.011 4.030 ( 0.000 10.107 15.595) 18.584 4.181 ( 0.000 6.687 -22.820) 23.779 4.441 ( -0.000 -2.437 -3.090) 3.936 4.479 ( 0.000 1.555 -20.123) 20.183 5.054 ( 0.000 0.484 3.290) 3.325 5.085 ( 0.000 2.764 13.074) 13.363 5.337 ( -0.000 -11.853 -9.209) 15.010 5.521 ( -0.000 -1.170 -0.519) 1.280 6.076 ( 0.000 5.472 -7.056) 8.929 6.310 ( 0.000 6.423 -11.583) 13.244 6.577 ( -0.000 -0.461 10.583) 10.593 6.870 ( -0.000 -0.135 -2.760) 2.763 7.267 ( -0.000 -10.867 8.529) 13.814 7.577 ( -0.000 -4.818 -3.607) 6.019 7.728 ( -0.000 -1.376 1.500) 2.036 7.816 ( -0.000 -3.177 -1.851) 3.677 8.277 ( 0.000 0.699 12.151) 12.171 8.606 ( -0.000 -5.410 -0.949) 5.492 9.389 ( 0.000 3.928 14.131) 14.666 9.957 ( 0.000 3.423 -13.775) 14.193 11.662 ( -0.000 -2.423 16.428) 16.606 12.497 ( -0.000 -1.694 -6.959) 7.162 13.492 ( 0.000 6.436 -10.815) 12.585 13.574 ( -0.000 -0.785 22.087) 22.101 13.984 ( 0.000 8.574 -19.594) 21.388 14.372 ( -0.000 -1.302 -15.965) 16.018 19.263 ( -0.000 -1.814 34.153) 34.202 20.335 ( -0.000 -2.066 -17.311) 17.434 26.891 ( 0.000 1.443 13.064) 13.144 27.081 ( -0.000 -2.568 8.780) 9.148 27.877 ( -0.000 -1.891 -1.386) 2.344 28.187 ( 0.000 0.278 -9.325) 9.329 30.110 ( 0.000 1.324 14.439) 14.500 30.833 ( 0.000 4.243 -19.634) 20.088 ======================= Grid point 415 (126/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 0.000 0.000 -9.350) 9.350 3.363 ( 0.000 0.000 9.350) 9.350 3.853 ( 0.000 0.000 -15.497) 15.497 3.853 ( 0.000 0.000 15.497) 15.497 3.886 ( 0.000 0.000 -14.445) 14.445 3.886 ( 0.000 0.000 14.445) 14.445 5.283 ( 0.000 0.000 -4.188) 4.188 5.283 ( 0.000 0.000 4.188) 4.188 5.600 ( 0.000 0.000 -1.441) 1.441 5.600 ( 0.000 0.000 1.441) 1.441 6.216 ( 0.000 0.000 -25.914) 25.914 6.216 ( 0.000 0.000 25.914) 25.914 6.939 ( 0.000 0.000 -7.356) 7.356 6.939 ( 0.000 0.000 7.356) 7.356 7.261 ( 0.000 0.000 -14.783) 14.783 7.261 ( 0.000 0.000 14.783) 14.783 7.704 ( 0.000 0.000 -4.364) 4.364 7.704 ( 0.000 0.000 4.364) 4.364 8.830 ( 0.000 0.000 -12.251) 12.251 8.830 ( 0.000 0.000 12.251) 12.251 9.861 ( 0.000 0.000 -11.948) 11.948 9.861 ( 0.000 0.000 11.948) 11.948 12.382 ( 0.000 0.000 -16.220) 16.220 12.382 ( 0.000 0.000 16.220) 16.220 13.473 ( 0.000 0.000 -13.293) 13.293 13.473 ( 0.000 0.000 13.293) 13.293 13.852 ( 0.000 0.000 -18.676) 18.676 13.852 ( 0.000 0.000 18.676) 18.676 20.025 ( 0.000 0.000 -22.095) 22.095 20.025 ( 0.000 0.000 22.095) 22.095 27.385 ( 0.000 0.000 -13.346) 13.346 27.385 ( 0.000 0.000 13.346) 13.346 28.009 ( 0.000 0.000 -6.930) 6.930 28.009 ( 0.000 0.000 6.930) 6.930 29.828 ( 0.000 0.000 -0.235) 0.235 29.828 ( 0.000 0.000 0.235) 0.235 ======================= Grid point 417 (127/150) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 3.881 2.943 -7.784) 9.182 3.347 ( 3.881 2.943 7.784) 9.182 3.768 ( -9.456 -1.666 -11.537) 15.010 3.768 ( -9.456 -1.666 11.537) 15.010 4.069 ( 13.003 -5.482 -6.509) 15.541 4.069 ( 13.003 -5.482 6.509) 15.541 5.240 ( -8.745 -0.923 -5.940) 10.612 5.240 ( -8.745 -0.923 5.940) 10.612 5.611 ( 3.615 1.559 -5.287) 6.592 5.611 ( 3.615 1.559 5.287) 6.592 6.264 ( 0.965 -3.166 -24.198) 24.424 6.264 ( 0.965 -3.166 24.198) 24.424 6.948 ( 2.512 -0.051 -6.107) 6.604 6.948 ( 2.512 -0.051 6.107) 6.604 7.136 ( -9.934 5.494 -15.792) 19.448 7.136 ( -9.934 5.494 15.792) 19.448 7.713 ( 6.197 2.786 -4.678) 8.249 7.713 ( 6.197 2.786 4.678) 8.249 8.882 ( -2.086 -5.948 -13.380) 14.790 8.882 ( -2.086 -5.948 13.380) 14.790 9.849 ( -0.112 1.400 -11.744) 11.827 9.849 ( -0.112 1.400 11.744) 11.827 12.376 ( -2.187 -0.694 -17.030) 17.184 12.376 ( -2.187 -0.694 17.030) 17.184 13.401 ( 0.638 7.957 -12.943) 15.207 13.401 ( 0.638 7.957 12.943) 15.207 13.874 ( 1.427 -1.417 -18.742) 18.850 13.874 ( 1.427 -1.417 18.742) 18.850 20.018 ( -1.201 -0.028 -23.113) 23.145 20.018 ( -1.201 -0.028 23.113) 23.145 27.357 ( -1.166 2.019 -13.927) 14.120 27.357 ( -1.166 2.019 13.927) 14.120 28.013 ( -1.988 -1.313 -9.225) 9.528 28.013 ( -1.988 -1.313 9.225) 9.528 29.870 ( 4.919 -1.467 -1.535) 5.358 29.870 ( 4.919 -1.467 1.535) 5.358 ======================= Grid point 419 (128/150) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( 7.789 0.953 -9.911) 12.642 3.371 ( 7.789 0.953 9.911) 12.642 3.714 ( -6.313 -1.586 -13.511) 14.997 3.714 ( -6.313 -1.586 13.511) 14.997 4.302 ( 10.454 -5.217 -7.793) 14.044 4.302 ( 10.454 -5.217 7.793) 14.044 5.157 ( -9.494 -1.087 -7.522) 12.162 5.157 ( -9.494 -1.087 7.522) 12.162 5.593 ( 2.048 4.042 -6.671) 8.065 5.593 ( 2.048 4.042 6.671) 8.065 6.262 ( -5.286 2.936 -14.168) 15.405 6.262 ( -5.286 2.936 14.168) 15.405 6.900 ( -8.080 2.248 -7.139) 11.013 6.900 ( -8.080 2.248 7.139) 11.013 7.089 ( 5.394 -5.798 -8.796) 11.836 7.089 ( 5.394 -5.798 8.796) 11.836 7.741 ( 9.075 2.131 -6.147) 11.167 7.741 ( 9.075 2.131 6.147) 11.167 8.961 ( -5.278 -5.953 -14.868) 16.862 8.961 ( -5.278 -5.953 14.868) 16.862 9.802 ( -0.833 3.233 -11.142) 11.631 9.802 ( -0.833 3.233 11.142) 11.631 12.364 ( -3.377 -1.349 -19.122) 19.465 12.364 ( -3.377 -1.349 19.122) 19.465 13.219 ( 1.499 12.357 -12.255) 17.467 13.219 ( 1.499 12.357 12.255) 17.467 13.927 ( 2.008 -2.233 -19.014) 19.250 13.927 ( 2.008 -2.233 19.014) 19.250 20.007 ( -1.434 -0.418 -24.896) 24.941 20.007 ( -1.434 -0.418 24.896) 24.941 27.304 ( -1.600 1.796 -13.985) 14.190 27.304 ( -1.600 1.796 13.985) 14.190 28.007 ( -2.792 -0.720 -10.835) 11.213 28.007 ( -2.792 -0.720 10.835) 11.213 29.968 ( 6.885 -1.975 -3.076) 7.795 29.968 ( 6.885 -1.975 3.076) 7.795 ======================= Grid point 421 (129/150) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( 7.874 -1.123 -11.333) 13.846 3.462 ( 7.874 -1.123 11.333) 13.846 3.700 ( -2.097 -1.932 -7.848) 8.351 3.700 ( -2.097 -1.932 7.848) 8.351 4.441 ( 5.016 -0.387 -7.436) 8.978 4.441 ( 5.016 -0.387 7.436) 8.978 5.097 ( -5.699 -1.446 -6.186) 8.534 5.097 ( -5.699 -1.446 6.186) 8.534 5.520 ( -0.929 3.363 -6.343) 7.240 5.520 ( -0.929 3.363 6.343) 7.240 6.060 ( -8.139 9.181 -6.390) 13.834 6.060 ( -8.139 9.181 6.390) 13.834 6.855 ( -5.401 -4.647 -7.368) 10.249 6.855 ( -5.401 -4.647 7.368) 10.249 7.256 ( 5.906 -2.701 -8.356) 10.583 7.256 ( 5.906 -2.701 8.356) 10.583 7.879 ( 12.194 -5.824 -8.813) 16.133 7.879 ( 12.194 -5.824 8.813) 16.133 8.961 ( -7.994 -1.424 -14.743) 16.831 8.961 ( -7.994 -1.424 14.743) 16.831 9.720 ( -1.526 3.911 -9.806) 10.667 9.720 ( -1.526 3.911 9.806) 10.667 12.357 ( -3.086 -1.602 -20.672) 20.963 12.357 ( -3.086 -1.602 20.672) 20.963 13.014 ( 1.886 11.184 -10.983) 15.788 13.014 ( 1.886 11.184 10.983) 15.788 13.988 ( 1.685 -2.046 -19.542) 19.721 13.988 ( 1.685 -2.046 19.542) 19.721 20.005 ( -0.917 -0.670 -25.936) 25.961 20.005 ( -0.917 -0.670 25.936) 25.961 27.266 ( -1.299 0.697 -12.287) 12.375 27.266 ( -1.299 0.697 12.287) 12.375 27.983 ( -2.216 0.249 -9.280) 9.544 27.983 ( -2.216 0.249 9.280) 9.544 30.069 ( 5.523 -1.504 -3.917) 6.936 30.069 ( 5.523 -1.504 3.917) 6.936 ======================= Grid point 423 (130/150) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 2.464 -0.917 -10.713) 11.031 3.542 ( 2.464 -0.917 10.713) 11.031 3.734 ( 1.282 -1.344 -3.877) 4.299 3.734 ( 1.282 -1.344 3.877) 4.299 4.437 ( 0.245 1.992 -9.490) 9.700 4.437 ( 0.245 1.992 9.490) 9.700 5.085 ( -1.539 -0.891 -3.246) 3.702 5.085 ( -1.539 -0.891 3.246) 3.702 5.495 ( -0.213 -1.119 -7.951) 8.032 5.495 ( -0.213 -1.119 7.951) 8.032 5.835 ( -4.103 6.305 -4.625) 8.831 5.835 ( -4.103 6.305 4.625) 8.831 6.904 ( -2.010 -3.486 -7.559) 8.563 6.904 ( -2.010 -3.486 7.559) 8.563 7.298 ( 2.189 1.208 -6.713) 7.163 7.298 ( 2.189 1.208 6.713) 7.163 8.140 ( 8.161 -6.788 -6.457) 12.425 8.140 ( 8.161 -6.788 6.457) 12.425 8.861 ( -6.068 2.256 -12.018) 13.651 8.861 ( -6.068 2.256 12.018) 13.651 9.651 ( -0.821 1.739 -7.384) 7.631 9.651 ( -0.821 1.739 7.384) 7.631 12.356 ( -1.293 -0.817 -18.951) 19.013 12.356 ( -1.293 -0.817 18.951) 19.013 12.880 ( 0.939 4.572 -5.229) 7.009 12.880 ( 0.939 4.572 5.229) 7.009 14.028 ( 0.653 -0.827 -19.958) 19.986 14.028 ( 0.653 -0.827 19.958) 19.986 20.008 ( -0.285 -0.330 -26.202) 26.205 20.008 ( -0.285 -0.330 26.202) 26.205 27.250 ( -0.498 0.095 -9.734) 9.748 27.250 ( -0.498 0.095 9.734) 9.748 27.960 ( -0.817 0.281 -5.514) 5.581 27.960 ( -0.817 0.281 5.514) 5.581 30.129 ( 2.065 -0.543 -4.093) 4.617 30.129 ( 2.065 -0.543 4.093) 4.617 ======================= Grid point 435 (131/150) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 5.427 -0.000 -6.956) 8.823 3.430 ( 5.427 -0.000 6.956) 8.823 3.644 ( -7.616 0.000 -1.351) 7.735 3.644 ( -7.616 0.000 1.351) 7.735 4.190 ( 16.841 -0.000 -0.712) 16.856 4.190 ( 16.841 -0.000 0.712) 16.856 5.110 ( -12.395 0.000 -1.527) 12.489 5.110 ( -12.395 0.000 1.527) 12.489 5.658 ( 2.563 -0.000 -3.822) 4.601 5.658 ( 2.563 -0.000 3.822) 4.601 6.270 ( 4.201 -0.000 -23.736) 24.104 6.270 ( 4.201 -0.000 23.736) 24.104 6.973 ( 1.316 -0.000 -6.905) 7.029 6.973 ( 1.316 -0.000 6.905) 7.029 7.054 ( -13.490 0.000 -14.683) 19.939 7.054 ( -13.490 0.000 14.683) 19.939 7.806 ( 5.790 -0.000 -2.550) 6.326 7.806 ( 5.790 -0.000 2.550) 6.326 8.798 ( -2.956 0.000 -11.130) 11.515 8.798 ( -2.956 0.000 11.130) 11.515 9.860 ( -0.251 0.000 -12.014) 12.017 9.860 ( -0.251 0.000 12.014) 12.017 12.335 ( -4.109 0.000 -17.533) 18.008 12.335 ( -4.109 0.000 17.533) 18.008 13.486 ( 1.406 -0.000 -14.045) 14.115 13.486 ( 1.406 -0.000 14.045) 14.115 13.883 ( 2.522 -0.000 -18.573) 18.743 13.883 ( 2.522 -0.000 18.573) 18.743 19.997 ( -2.382 0.000 -22.987) 23.110 19.997 ( -2.382 0.000 22.987) 23.110 27.356 ( -2.865 0.000 -11.082) 11.447 27.356 ( -2.865 0.000 11.082) 11.447 27.973 ( -2.578 0.000 -5.918) 6.455 27.973 ( -2.578 0.000 5.918) 6.455 29.933 ( 9.012 -0.000 -3.965) 9.845 29.933 ( 9.012 -0.000 3.965) 9.845 ======================= Grid point 437 (132/150) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 5.014 1.108 -7.599) 9.171 3.468 ( 5.014 1.108 7.599) 9.171 3.617 ( -2.456 -2.262 -9.353) 9.931 3.617 ( -2.456 -2.262 9.353) 9.931 4.380 ( 15.059 -1.081 -6.629) 16.489 4.380 ( 15.059 -1.081 6.629) 16.489 5.010 ( -10.487 -2.783 -4.442) 11.724 5.010 ( -10.487 -2.783 4.442) 11.724 5.656 ( -0.369 2.073 -7.060) 7.367 5.656 ( -0.369 2.073 7.060) 7.367 6.285 ( -0.231 2.782 -17.845) 18.062 6.285 ( -0.231 2.782 17.845) 18.062 6.847 ( -12.360 2.288 -11.746) 17.204 6.847 ( -12.360 2.288 11.746) 17.204 7.062 ( 6.214 -3.488 -3.194) 7.809 7.062 ( 6.214 -3.488 3.194) 7.809 7.845 ( 4.309 0.920 -2.925) 5.289 7.845 ( 4.309 0.920 2.925) 5.289 8.804 ( -4.961 -4.371 -11.426) 13.201 8.804 ( -4.961 -4.371 11.426) 13.201 9.837 ( -1.222 1.861 -11.819) 12.026 9.837 ( -1.222 1.861 11.819) 12.026 12.296 ( -4.865 -1.116 -19.205) 19.843 12.296 ( -4.865 -1.116 19.205) 19.843 13.432 ( 2.420 7.868 -13.766) 16.040 13.432 ( 2.420 7.868 13.766) 16.040 13.921 ( 2.669 -1.121 -18.582) 18.807 13.921 ( 2.669 -1.121 18.582) 18.807 19.975 ( -2.500 -0.620 -24.318) 24.454 19.975 ( -2.500 -0.620 24.318) 24.454 27.306 ( -3.695 1.183 -9.985) 10.712 27.306 ( -3.695 1.183 9.985) 10.712 27.961 ( -2.060 -1.057 -7.685) 8.026 27.961 ( -2.060 -1.057 7.685) 8.026 30.041 ( 10.071 -0.243 -6.771) 12.138 30.041 ( 10.071 -0.243 6.771) 12.138 ======================= Grid point 439 (133/150) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 0.790 -0.441 -12.366) 12.399 3.495 ( 0.790 -0.441 12.366) 12.399 3.673 ( 4.947 -2.428 -4.417) 7.062 3.673 ( 4.947 -2.428 4.417) 7.062 4.497 ( 5.353 1.089 -11.377) 12.621 4.497 ( 5.353 1.089 11.377) 12.621 5.001 ( -2.648 -3.730 -5.803) 7.390 5.001 ( -2.648 -3.730 5.803) 7.390 5.561 ( -4.772 4.724 -6.915) 9.638 5.561 ( -4.772 4.724 6.915) 9.638 6.145 ( -6.009 7.362 -4.554) 10.538 6.145 ( -6.009 7.362 4.554) 10.538 6.754 ( -3.386 -1.378 -7.104) 7.989 6.754 ( -3.386 -1.378 7.104) 7.989 7.247 ( 8.237 -6.371 -7.467) 12.814 7.247 ( 8.237 -6.371 7.467) 12.814 7.896 ( 4.677 -2.598 -6.395) 8.338 7.896 ( 4.677 -2.598 6.395) 8.338 8.823 ( -7.211 -4.157 -12.513) 15.029 8.823 ( -7.211 -4.157 12.513) 15.029 9.764 ( -2.933 3.600 -11.110) 12.041 9.764 ( -2.933 3.600 11.110) 12.041 12.279 ( -4.260 -2.326 -21.239) 21.787 12.279 ( -4.260 -2.326 21.239) 21.787 13.268 ( 3.065 12.580 -12.785) 18.196 13.268 ( 3.065 12.580 12.785) 18.196 13.974 ( 2.153 -1.690 -19.022) 19.217 13.974 ( 2.153 -1.690 19.022) 19.217 19.972 ( -1.667 -1.376 -25.613) 25.704 19.972 ( -1.667 -1.376 25.613) 25.704 27.252 ( -3.202 0.384 -9.879) 10.392 27.252 ( -3.202 0.384 9.879) 10.392 27.959 ( -1.248 -0.590 -8.539) 8.650 27.959 ( -1.248 -0.590 8.539) 8.650 30.137 ( 8.186 0.664 -8.119) 11.549 30.137 ( 8.186 0.664 8.119) 11.549 ======================= Grid point 441 (134/150) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -2.169 -1.285 -10.295) 10.599 3.503 ( -2.169 -1.285 10.295) 10.599 3.780 ( 7.159 -1.033 -6.449) 9.691 3.780 ( 7.159 -1.033 6.449) 9.691 4.448 ( -5.380 3.073 -12.789) 14.211 4.448 ( -5.380 3.073 12.789) 14.211 5.063 ( 2.981 -1.851 -5.635) 6.638 5.063 ( 2.981 -1.851 5.635) 6.638 5.456 ( -3.437 0.146 -8.861) 9.506 5.456 ( -3.437 0.146 8.861) 9.506 5.947 ( -2.989 7.986 -3.563) 9.242 5.947 ( -2.989 7.986 3.563) 9.242 6.804 ( 0.307 -4.992 -8.951) 10.253 6.804 ( 0.307 -4.992 8.951) 10.253 7.377 ( 5.682 1.193 -6.566) 8.764 7.377 ( 5.682 1.193 6.566) 8.764 8.059 ( 3.711 -8.592 -7.651) 12.089 8.059 ( 3.711 -8.592 7.651) 12.089 8.800 ( -6.080 -1.814 -11.873) 13.461 8.800 ( -6.080 -1.814 11.873) 13.461 9.664 ( -3.676 2.683 -9.475) 10.511 9.664 ( -3.676 2.683 9.475) 10.511 12.292 ( -2.775 -3.171 -22.084) 22.482 12.292 ( -2.775 -3.171 22.084) 22.482 13.066 ( 2.826 12.248 -11.278) 16.887 13.066 ( 2.826 12.248 11.278) 16.887 14.020 ( 1.209 -1.173 -19.673) 19.745 14.020 ( 1.209 -1.173 19.673) 19.745 19.986 ( -0.716 -1.463 -26.125) 26.176 19.986 ( -0.716 -1.463 26.125) 26.176 27.229 ( -2.056 -0.828 -9.344) 9.603 27.229 ( -2.056 -0.828 9.344) 9.603 27.956 ( -0.223 -0.056 -6.791) 6.795 27.956 ( -0.223 -0.056 6.791) 6.795 30.181 ( 4.614 2.050 -7.996) 9.456 30.181 ( 4.614 2.050 7.996) 9.456 ======================= Grid point 443 (135/150) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( -5.417 -0.414 -8.752) 10.301 3.484 ( -5.417 -0.414 8.752) 10.301 3.817 ( 4.348 3.955 -5.621) 8.133 3.817 ( 4.348 3.955 5.621) 8.133 4.359 ( -6.431 -2.244 -9.341) 11.561 4.359 ( -6.431 -2.244 9.341) 11.561 5.117 ( 3.871 -0.333 -4.529) 5.968 5.117 ( 3.871 -0.333 4.529) 5.968 5.464 ( -2.893 -2.096 -11.339) 11.888 5.464 ( -2.893 -2.096 11.339) 11.888 5.855 ( 5.660 1.487 -7.468) 9.487 5.855 ( 5.660 1.487 7.468) 9.487 6.910 ( 1.514 -4.726 -9.431) 10.657 6.910 ( 1.514 -4.726 9.431) 10.657 7.351 ( 3.786 5.869 -6.705) 9.682 7.351 ( 3.786 5.869 6.705) 9.682 8.125 ( -9.406 1.533 -4.053) 10.356 8.125 ( -9.406 1.533 4.053) 10.356 8.843 ( 4.124 -5.670 -12.103) 13.987 8.843 ( 4.124 -5.670 12.103) 13.987 9.614 ( -2.498 -1.086 -7.871) 8.329 9.614 ( -2.498 -1.086 7.871) 8.329 12.332 ( -0.898 -3.252 -19.803) 20.088 12.332 ( -0.898 -3.252 19.803) 20.088 12.909 ( 1.594 6.879 -6.385) 9.520 12.909 ( 1.594 6.879 6.385) 9.520 14.036 ( 0.077 0.280 -20.012) 20.015 14.036 ( 0.077 0.280 20.012) 20.015 20.004 ( -0.082 -0.866 -26.185) 26.200 20.004 ( -0.082 -0.866 26.185) 26.200 27.235 ( -0.838 -1.328 -9.670) 9.797 27.235 ( -0.838 -1.328 9.670) 9.797 27.963 ( 0.880 -0.408 -5.170) 5.260 27.963 ( 0.880 -0.408 5.170) 5.260 30.159 ( 0.731 3.329 -7.039) 7.821 30.159 ( 0.731 3.329 7.039) 7.821 ======================= Grid point 445 (136/150) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -7.965 1.672 -12.809) 15.176 3.396 ( -7.965 1.672 12.809) 15.176 3.777 ( 3.310 3.282 -12.963) 13.775 3.777 ( 3.310 3.282 12.963) 13.775 4.374 ( -4.092 -3.137 -1.509) 5.373 4.374 ( -4.092 -3.137 1.509) 5.373 5.165 ( 5.157 -0.084 -4.732) 6.999 5.165 ( 5.157 -0.084 4.732) 6.999 5.449 ( -4.450 -2.073 -8.574) 9.880 5.449 ( -4.450 -2.073 8.574) 9.880 6.014 ( 10.861 -7.040 -9.670) 16.157 6.014 ( 10.861 -7.040 9.670) 16.157 6.978 ( 2.909 0.322 -8.940) 9.407 6.978 ( 2.909 0.322 8.940) 9.407 7.278 ( 2.433 5.444 -7.753) 9.781 7.278 ( 2.433 5.444 7.753) 9.781 7.863 ( -16.063 8.637 -7.569) 19.746 7.863 ( -16.063 8.637 7.569) 19.746 9.018 ( 6.901 -4.271 -15.355) 17.368 9.018 ( 6.901 -4.271 15.355) 17.368 9.649 ( -0.777 -4.278 -9.076) 10.064 9.649 ( -0.777 -4.278 9.076) 10.064 12.382 ( 0.975 -1.746 -18.084) 18.194 12.382 ( 0.975 -1.746 18.084) 18.194 12.871 ( -0.052 -2.257 -4.094) 4.675 12.871 ( -0.052 -2.257 4.094) 4.675 14.012 ( -0.776 1.868 -19.917) 20.019 14.012 ( -0.776 1.868 19.917) 20.019 20.015 ( 0.298 -0.204 -26.121) 26.123 20.015 ( 0.298 -0.204 26.121) 26.123 27.255 ( 0.028 -1.282 -12.273) 12.339 27.255 ( 0.028 -1.282 12.273) 12.339 27.991 ( 1.702 -1.125 -8.328) 8.574 27.991 ( 1.702 -1.125 8.328) 8.574 30.081 ( -2.145 4.157 -5.809) 7.458 30.081 ( -2.145 4.157 5.809) 7.458 ======================= Grid point 447 (137/150) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( -5.156 0.772 -14.603) 15.506 3.296 ( -5.156 0.772 14.603) 15.506 3.781 ( 3.326 0.406 -21.399) 21.660 3.781 ( 3.326 0.406 21.399) 21.660 4.324 ( -4.125 4.275 -9.303) 11.038 4.324 ( -4.125 4.275 9.303) 11.038 5.238 ( 6.035 -1.054 -9.134) 10.998 5.238 ( 6.035 -1.054 9.134) 10.998 5.471 ( -4.149 -5.076 -9.834) 11.819 5.471 ( -4.149 -5.076 9.834) 11.819 6.255 ( 7.431 -6.582 -9.027) 13.417 6.255 ( 7.431 -6.582 9.027) 13.417 6.973 ( 2.883 2.705 -6.550) 7.651 6.973 ( 2.883 2.705 6.550) 7.651 7.170 ( -0.109 8.126 -11.876) 14.391 7.170 ( -0.109 8.126 11.876) 14.391 7.613 ( -10.268 0.540 -6.061) 11.936 7.613 ( -10.268 0.540 6.061) 11.936 9.093 ( 3.617 2.392 -16.807) 17.357 9.093 ( 3.617 2.392 16.807) 17.357 9.734 ( 0.064 -4.806 -10.508) 11.555 9.734 ( 0.064 -4.806 10.508) 11.555 12.407 ( 1.395 0.329 -19.560) 19.613 12.407 ( 1.395 0.329 19.560) 19.613 12.989 ( -0.558 -10.464 -11.071) 15.244 12.989 ( -0.558 -10.464 11.071) 15.244 13.959 ( -0.860 2.748 -19.548) 19.759 13.959 ( -0.860 2.748 19.548) 19.759 20.020 ( 0.439 0.025 -25.683) 25.687 20.020 ( 0.439 0.025 25.683) 25.687 27.282 ( 0.337 -1.588 -14.913) 15.002 27.282 ( 0.337 -1.588 14.913) 15.002 28.030 ( 1.569 -0.888 -11.744) 11.881 28.030 ( 1.569 -0.888 11.744) 11.881 29.975 ( -2.687 4.231 -4.475) 6.719 29.975 ( -2.687 4.231 4.475) 6.719 ======================= Grid point 449 (138/150) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -0.000 -1.710 -11.520) 11.646 3.277 ( -0.000 -1.710 11.520) 11.646 3.815 ( -0.000 -1.339 -25.204) 25.240 3.815 ( -0.000 -1.339 25.204) 25.240 4.158 ( 0.000 9.840 -14.476) 17.503 4.158 ( 0.000 9.840 14.476) 17.503 5.294 ( -0.000 -0.469 -11.116) 11.126 5.294 ( -0.000 -0.469 11.116) 11.126 5.535 ( -0.000 -4.170 -10.177) 10.998 5.535 ( -0.000 -4.170 10.177) 10.998 6.335 ( 0.000 2.356 -18.615) 18.764 6.335 ( 0.000 2.356 18.615) 18.764 6.943 ( 0.000 1.529 -4.885) 5.119 6.943 ( 0.000 1.529 4.885) 5.119 7.098 ( -0.000 -1.862 -15.345) 15.457 7.098 ( -0.000 -1.862 15.345) 15.457 7.609 ( -0.000 -4.023 -5.612) 6.905 7.609 ( -0.000 -4.023 5.612) 6.905 9.021 ( 0.000 6.826 -15.823) 17.232 9.021 ( 0.000 6.826 15.823) 17.232 9.809 ( -0.000 -3.166 -11.193) 11.632 9.809 ( -0.000 -3.166 11.193) 11.632 12.403 ( 0.000 0.920 -18.154) 18.177 12.403 ( 0.000 0.920 18.154) 18.177 13.204 ( -0.000 -12.341 -12.149) 17.318 13.204 ( -0.000 -12.341 12.149) 17.318 13.903 ( 0.000 2.539 -19.134) 19.301 13.903 ( 0.000 2.539 19.134) 19.301 20.023 ( -0.000 -0.039 -24.504) 24.504 20.023 ( -0.000 -0.039 24.504) 24.504 27.320 ( -0.000 -2.300 -15.588) 15.757 27.320 ( -0.000 -2.300 15.588) 15.757 28.044 ( 0.000 0.529 -12.238) 12.250 28.044 ( 0.000 0.529 12.238) 12.250 29.888 ( 0.000 3.248 -2.865) 4.331 29.888 ( 0.000 3.248 2.865) 4.331 ======================= Grid point 455 (139/150) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -1.321 0.000 -2.787) 3.084 3.483 ( -1.321 0.000 2.787) 3.084 3.631 ( 6.672 -0.000 -11.770) 13.529 3.631 ( 6.672 -0.000 11.770) 13.529 4.543 ( 14.136 -0.000 -3.940) 14.675 4.543 ( 14.136 -0.000 3.940) 14.675 4.875 ( -7.221 0.000 -1.469) 7.368 4.875 ( -7.221 0.000 1.469) 7.368 5.665 ( -2.041 0.000 -9.358) 9.578 5.665 ( -2.041 0.000 9.358) 9.578 6.318 ( -2.373 0.000 -14.453) 14.647 6.318 ( -2.373 0.000 14.453) 14.647 6.731 ( -9.527 0.000 -10.635) 14.278 6.731 ( -9.527 0.000 10.635) 14.278 7.095 ( 6.276 -0.000 -0.326) 6.284 7.095 ( 6.276 -0.000 0.326) 6.284 7.869 ( -0.162 0.000 -0.351) 0.387 7.869 ( -0.162 0.000 0.351) 0.387 8.714 ( -4.812 0.000 -8.634) 9.884 8.714 ( -4.812 0.000 8.634) 9.884 9.841 ( -1.807 0.000 -12.150) 12.284 9.841 ( -1.807 0.000 12.150) 12.284 12.231 ( -5.198 0.000 -20.369) 21.021 12.231 ( -5.198 0.000 20.369) 21.021 13.536 ( 3.254 -0.000 -15.193) 15.538 13.536 ( 3.254 -0.000 15.193) 15.538 13.939 ( 2.508 -0.000 -18.660) 18.827 13.939 ( 2.508 -0.000 18.660) 18.827 19.940 ( -2.730 0.000 -24.639) 24.790 19.940 ( -2.730 0.000 24.639) 24.790 27.268 ( -5.075 0.000 -4.832) 7.007 27.268 ( -5.075 0.000 4.832) 7.007 27.938 ( -0.416 0.000 -6.516) 6.529 27.938 ( -0.416 0.000 6.516) 6.529 30.153 ( 10.673 -0.000 -10.603) 15.045 30.153 ( 10.673 -0.000 10.603) 15.045 ======================= Grid point 457 (140/150) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -0.408 -0.643 -11.100) 11.126 3.481 ( -0.408 -0.643 11.100) 11.126 3.714 ( 7.811 -0.627 -9.620) 12.408 3.714 ( 7.811 -0.627 9.620) 12.408 4.580 ( -0.258 3.703 -10.241) 10.893 4.580 ( -0.258 3.703 10.241) 10.893 4.929 ( 5.936 -5.194 -4.274) 8.971 4.929 ( 5.936 -5.194 4.274) 8.971 5.591 ( -5.585 4.121 -12.797) 14.558 5.591 ( -5.585 4.121 12.797) 14.558 6.193 ( -7.422 5.763 -4.741) 10.525 6.193 ( -7.422 5.763 4.741) 10.525 6.708 ( -0.593 -1.956 -7.284) 7.565 6.708 ( -0.593 -1.956 7.284) 7.565 7.217 ( 8.062 -5.573 -5.014) 11.009 7.217 ( 8.062 -5.573 5.014) 11.009 7.870 ( -1.670 -1.871 -2.393) 3.467 7.870 ( -1.670 -1.871 2.393) 3.467 8.686 ( -5.976 -2.731 -8.893) 11.057 8.686 ( -5.976 -2.731 8.893) 11.057 9.790 ( -3.213 2.699 -12.111) 12.818 9.790 ( -3.213 2.699 12.111) 12.818 12.194 ( -4.337 -1.658 -21.913) 22.400 12.194 ( -4.337 -1.658 21.913) 22.400 13.499 ( 3.643 7.941 -14.697) 17.097 13.499 ( 3.643 7.941 14.697) 17.097 13.972 ( 1.891 -0.940 -18.777) 18.896 13.972 ( 1.891 -0.940 18.777) 18.896 19.926 ( -1.980 -1.292 -25.456) 25.566 19.926 ( -1.980 -1.292 25.456) 25.566 27.213 ( -4.579 -0.004 -5.059) 6.823 27.213 ( -4.579 -0.004 5.059) 6.823 27.944 ( 0.416 -0.455 -7.876) 7.900 27.944 ( 0.416 -0.455 7.876) 7.900 30.248 ( 8.833 1.208 -12.690) 15.509 30.248 ( 8.833 1.208 12.690) 15.509 ======================= Grid point 459 (141/150) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.485 ( 0.036 0.335 -14.794) 14.798 3.485 ( 0.036 0.335 14.794) 14.798 3.817 ( 6.816 -2.067 -11.878) 13.849 3.817 ( 6.816 -2.067 11.878) 13.849 4.455 ( -7.736 5.131 -13.219) 16.153 4.455 ( -7.736 5.131 13.219) 16.153 5.085 ( 7.725 -2.479 -5.862) 10.009 5.085 ( 7.725 -2.479 5.862) 10.009 5.440 ( -5.556 3.317 -14.539) 15.914 5.440 ( -5.556 3.317 14.539) 15.914 6.029 ( -3.866 5.228 -6.264) 9.028 6.029 ( -3.866 5.228 6.264) 9.028 6.749 ( 1.370 -2.175 -8.241) 8.632 6.749 ( 1.370 -2.175 8.241) 8.632 7.424 ( 8.508 -4.866 -5.589) 11.283 7.424 ( 8.508 -4.866 5.589) 11.283 7.926 ( -1.631 -6.552 -5.469) 8.689 7.926 ( -1.631 -6.552 5.469) 8.689 8.682 ( -5.687 -3.779 -10.406) 12.446 8.682 ( -5.687 -3.779 10.406) 12.446 9.683 ( -4.387 4.110 -11.784) 13.229 9.683 ( -4.387 4.110 11.784) 13.229 12.201 ( -2.877 -3.204 -23.166) 23.563 12.201 ( -2.877 -3.204 23.166) 23.563 13.338 ( 3.261 12.979 -13.623) 19.097 13.338 ( 3.261 12.979 13.623) 19.097 14.010 ( 1.185 -1.320 -19.307) 19.388 14.010 ( 1.185 -1.320 19.307) 19.388 19.943 ( -0.972 -2.153 -25.979) 26.087 19.943 ( -0.972 -2.153 25.979) 26.087 27.182 ( -3.070 -1.116 -7.631) 8.301 27.182 ( -3.070 -1.116 7.631) 8.301 27.956 ( 0.673 -0.165 -8.009) 8.039 27.956 ( 0.673 -0.165 8.009) 8.039 30.286 ( 5.609 3.114 -12.903) 14.410 30.286 ( 5.609 3.114 12.903) 14.410 ======================= Grid point 461 (142/150) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( -1.541 1.921 -7.440) 7.837 3.459 ( -1.541 1.921 7.440) 7.837 3.914 ( 5.812 0.021 -5.997) 8.352 3.914 ( 5.812 0.021 5.997) 8.352 4.262 ( -10.411 2.785 -9.992) 14.696 4.262 ( -10.411 2.785 9.992) 14.696 5.166 ( 5.480 0.412 -9.141) 10.666 5.166 ( 5.480 0.412 9.141) 10.666 5.395 ( -3.162 -1.730 -15.440) 15.855 5.395 ( -3.162 -1.730 15.440) 15.855 5.940 ( 2.254 2.529 -10.331) 10.872 5.940 ( 2.254 2.529 10.331) 10.872 6.822 ( 0.397 -4.713 -8.926) 10.102 6.822 ( 0.397 -4.713 8.926) 10.102 7.521 ( 8.680 3.558 -4.556) 10.428 7.521 ( 8.680 3.558 4.556) 10.428 8.005 ( -8.211 -3.885 -2.470) 9.414 8.005 ( -8.211 -3.885 2.470) 9.414 8.744 ( 0.431 -7.588 -12.816) 14.900 8.744 ( 0.431 -7.588 12.816) 14.900 9.580 ( -3.814 1.606 -10.898) 11.657 9.580 ( -3.814 1.606 10.898) 11.657 12.247 ( -1.426 -4.223 -23.109) 23.535 12.247 ( -1.426 -4.223 23.109) 23.535 13.122 ( 2.179 13.106 -11.809) 17.776 13.122 ( 2.179 13.106 11.809) 17.776 14.037 ( 0.442 -0.526 -19.848) 19.860 14.037 ( 0.442 -0.526 19.848) 19.860 19.976 ( -0.286 -1.981 -26.102) 26.179 19.976 ( -0.286 -1.981 26.102) 26.179 27.189 ( -1.505 -2.121 -9.416) 9.769 27.189 ( -1.505 -2.121 9.416) 9.769 27.966 ( 0.795 -0.167 -6.716) 6.765 27.966 ( 0.795 -0.167 6.716) 6.765 30.254 ( 2.262 4.865 -11.788) 12.951 30.254 ( 2.262 4.865 11.788) 12.951 ======================= Grid point 463 (143/150) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -3.190 3.414 -9.339) 10.443 3.381 ( -3.190 3.414 9.339) 10.443 3.888 ( 2.108 5.813 -11.336) 12.912 3.888 ( 2.108 5.813 11.336) 12.912 4.237 ( -3.795 -6.830 -4.869) 9.206 4.237 ( -3.795 -6.830 4.869) 9.206 5.213 ( 4.439 -0.008 -6.509) 7.879 5.213 ( 4.439 -0.008 6.509) 7.879 5.374 ( -4.610 -0.605 -14.079) 14.826 5.374 ( -4.610 -0.605 14.079) 14.826 6.004 ( 5.644 -4.200 -12.133) 14.025 6.004 ( 5.644 -4.200 12.133) 14.025 6.916 ( -0.826 -5.439 -10.044) 11.452 6.916 ( -0.826 -5.439 10.044) 11.452 7.511 ( 11.380 8.644 -6.502) 15.700 7.511 ( 11.380 8.644 6.502) 15.700 7.841 ( -15.011 6.676 -4.573) 17.053 7.841 ( -15.011 6.676 4.573) 17.053 8.945 ( 3.543 -9.678 -15.823) 18.883 8.945 ( 3.543 -9.678 15.823) 18.883 9.563 ( -1.772 -2.984 -10.415) 10.978 9.563 ( -1.772 -2.984 10.415) 10.978 12.320 ( -0.284 -4.590 -20.292) 20.807 12.320 ( -0.284 -4.590 20.292) 20.807 12.937 ( 0.807 8.158 -7.035) 10.803 12.937 ( 0.807 8.158 7.035) 10.803 14.035 ( -0.093 0.999 -20.041) 20.066 14.035 ( -0.093 0.999 20.041) 20.066 20.004 ( 0.011 -1.178 -26.113) 26.139 20.004 ( 0.011 -1.178 26.113) 26.139 27.220 ( -0.406 -2.205 -11.232) 11.453 27.220 ( -0.406 -2.205 11.232) 11.453 27.983 ( 0.719 -0.935 -6.702) 6.805 27.983 ( 0.719 -0.935 6.702) 6.805 30.165 ( 0.021 5.856 -9.898) 11.501 30.165 ( 0.021 5.856 9.898) 11.501 ======================= Grid point 465 (144/150) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 0.000 2.707 -15.165) 15.405 3.301 ( 0.000 2.707 15.165) 15.405 3.820 ( 0.000 2.563 -17.249) 17.439 3.820 ( 0.000 2.563 17.249) 17.439 4.322 ( -0.000 -2.868 -3.064) 4.197 4.322 ( -0.000 -2.868 3.064) 4.197 5.252 ( -0.000 -1.007 -8.586) 8.644 5.252 ( -0.000 -1.007 8.586) 8.644 5.366 ( -0.000 -2.644 -13.596) 13.851 5.366 ( -0.000 -2.644 13.596) 13.851 6.158 ( -0.000 -7.939 -10.819) 13.419 6.158 ( -0.000 -7.939 10.819) 13.419 6.988 ( -0.000 -2.401 -9.800) 10.090 6.988 ( -0.000 -2.401 9.800) 10.090 7.404 ( 0.000 13.041 -11.791) 17.581 7.404 ( 0.000 13.041 11.791) 17.581 7.592 ( 0.000 5.609 -3.355) 6.536 7.592 ( 0.000 5.609 3.355) 6.536 9.099 ( -0.000 -4.190 -17.143) 17.648 9.099 ( -0.000 -4.190 17.143) 17.648 9.636 ( -0.000 -5.423 -10.426) 11.752 9.636 ( -0.000 -5.423 10.426) 11.752 12.393 ( -0.000 -2.857 -17.722) 17.951 12.393 ( -0.000 -2.857 17.722) 17.951 12.871 ( -0.000 -1.304 -3.646) 3.873 12.871 ( -0.000 -1.304 3.646) 3.873 14.002 ( 0.000 2.314 -19.908) 20.042 14.002 ( 0.000 2.314 19.908) 20.042 20.019 ( -0.000 -0.432 -26.064) 26.067 20.019 ( -0.000 -0.432 26.064) 26.067 27.254 ( -0.000 -1.701 -13.518) 13.624 27.254 ( -0.000 -1.701 13.518) 13.624 28.013 ( -0.000 -1.615 -9.625) 9.759 28.013 ( -0.000 -1.615 9.625) 9.759 30.055 ( 0.000 5.701 -7.463) 9.391 30.055 ( 0.000 5.701 7.463) 9.391 ======================= Grid point 475 (145/150) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 0.784 -0.000 -7.123) 7.166 3.477 ( 0.784 -0.000 7.123) 7.166 3.803 ( 9.303 -0.000 -2.550) 9.646 3.803 ( 9.303 -0.000 2.550) 9.646 4.576 ( -7.100 0.000 -8.528) 11.097 4.576 ( -7.100 0.000 8.528) 11.097 4.969 ( 10.149 -0.000 -2.634) 10.485 4.969 ( 10.149 -0.000 2.634) 10.485 5.570 ( -6.569 0.000 -14.685) 16.087 5.570 ( -6.569 0.000 14.685) 16.087 6.181 ( -6.142 0.000 -3.594) 7.117 6.181 ( -6.142 0.000 3.594) 7.117 6.693 ( 2.872 -0.000 -6.043) 6.690 6.693 ( 2.872 -0.000 6.043) 6.690 7.237 ( 6.585 -0.000 -5.405) 8.519 7.237 ( 6.585 -0.000 5.405) 8.519 7.816 ( -3.938 0.000 -1.840) 4.347 7.816 ( -3.938 0.000 1.840) 4.347 8.601 ( -5.648 0.000 -6.912) 8.926 8.601 ( -5.648 0.000 6.912) 8.926 9.783 ( -3.347 0.000 -12.592) 13.030 9.783 ( -3.347 0.000 12.592) 13.030 12.136 ( -3.463 0.000 -22.906) 23.166 12.136 ( -3.463 0.000 22.906) 23.166 13.612 ( 3.597 -0.000 -15.832) 16.235 13.612 ( 3.597 -0.000 15.832) 16.235 13.979 ( 1.225 -0.000 -18.957) 18.997 13.979 ( 1.225 -0.000 18.957) 18.997 19.893 ( -1.576 0.000 -25.605) 25.654 19.893 ( -1.576 0.000 25.605) 25.654 27.164 ( -4.323 0.000 -1.246) 4.499 27.164 ( -4.323 0.000 1.246) 4.499 27.950 ( 1.208 -0.000 -8.513) 8.598 27.950 ( 1.208 -0.000 8.513) 8.598 30.349 ( 7.427 -0.000 -15.569) 17.250 30.349 ( 7.427 -0.000 15.569) 17.250 ======================= Grid point 477 (146/150) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 1.029 -0.469 -18.639) 18.673 3.493 ( 1.029 -0.469 18.639) 18.673 3.892 ( 9.339 1.270 -12.624) 15.754 3.892 ( 9.339 1.270 12.624) 15.754 4.453 ( -9.193 3.789 -11.499) 15.202 4.453 ( -9.193 3.789 11.499) 15.202 5.103 ( 6.524 -4.099 -2.722) 8.171 5.103 ( 6.524 -4.099 2.722) 8.171 5.455 ( -5.832 4.342 -15.474) 17.097 5.455 ( -5.832 4.342 15.474) 17.097 6.085 ( -1.814 4.620 -6.700) 8.338 6.085 ( -1.814 4.620 6.700) 8.338 6.740 ( 2.125 -0.904 -7.999) 8.326 6.740 ( 2.125 -0.904 7.999) 8.326 7.380 ( 6.524 -7.735 -7.114) 12.370 7.380 ( 6.524 -7.735 7.114) 12.370 7.807 ( -3.222 -3.332 -1.871) 4.999 7.807 ( -3.222 -3.332 1.871) 4.999 8.565 ( -5.052 -2.326 -7.992) 9.736 8.565 ( -5.052 -2.326 7.992) 9.736 9.715 ( -3.379 3.472 -12.958) 13.834 9.715 ( -3.379 3.472 12.958) 13.834 12.125 ( -2.164 -2.000 -23.777) 23.959 12.125 ( -2.164 -2.000 23.777) 23.959 13.570 ( 2.781 8.127 -15.362) 17.601 13.570 ( 2.781 8.127 15.362) 17.601 13.998 ( 0.696 -0.963 -19.146) 19.183 13.998 ( 0.696 -0.963 19.146) 19.183 19.896 ( -0.842 -1.680 -25.845) 25.913 19.896 ( -0.842 -1.680 25.845) 25.913 27.132 ( -2.869 -0.789 -5.197) 5.989 27.132 ( -2.869 -0.789 5.197) 5.989 27.964 ( 1.050 -0.070 -9.073) 9.133 27.964 ( 1.050 -0.070 9.073) 9.133 30.394 ( 4.751 2.264 -16.405) 17.228 30.394 ( 4.751 2.264 16.405) 17.228 ======================= Grid point 479 (147/150) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 0.653 1.551 -20.141) 20.211 3.498 ( 0.653 1.551 20.141) 20.211 3.963 ( 6.987 -0.312 -16.247) 17.688 3.963 ( 6.987 -0.312 16.247) 17.688 4.252 ( -9.545 6.707 -15.189) 19.152 4.252 ( -9.545 6.707 15.189) 19.152 5.227 ( 5.309 -1.986 -9.248) 10.847 5.227 ( 5.309 -1.986 9.248) 10.847 5.341 ( -4.176 1.491 -14.520) 15.182 5.341 ( -4.176 1.491 14.520) 15.182 6.002 ( 0.447 3.328 -9.924) 10.476 6.002 ( 0.447 3.328 9.924) 10.476 6.769 ( 0.323 -1.482 -7.550) 7.701 6.769 ( 0.323 -1.482 7.550) 7.701 7.593 ( 6.491 -6.210 -3.207) 9.539 7.593 ( 6.491 -6.210 3.207) 9.539 7.851 ( -4.320 -4.255 -1.646) 6.283 7.851 ( -4.320 -4.255 1.646) 6.283 8.599 ( -1.984 -6.366 -11.888) 13.631 8.599 ( -1.984 -6.366 11.888) 13.631 9.605 ( -2.328 4.516 -13.207) 14.150 9.605 ( -2.328 4.516 13.207) 14.150 12.161 ( -0.928 -3.625 -24.200) 24.488 12.161 ( -0.928 -3.625 24.200) 24.488 13.391 ( 1.415 13.287 -14.284) 19.559 13.391 ( 1.415 13.287 14.284) 19.559 14.025 ( 0.308 -1.186 -19.587) 19.625 14.025 ( 0.308 -1.186 19.587) 19.625 19.931 ( -0.264 -2.501 -25.984) 26.105 19.931 ( -0.264 -2.501 25.984) 26.105 27.135 ( -1.201 -1.938 -8.233) 8.543 27.135 ( -1.201 -1.938 8.233) 8.543 27.973 ( 0.552 0.035 -8.539) 8.557 27.973 ( 0.552 0.035 8.539) 8.557 30.366 ( 1.902 4.548 -15.482) 16.248 30.366 ( 1.902 4.548 15.482) 16.248 ======================= Grid point 481 (148/150) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 0.000 4.277 -7.092) 8.282 3.443 ( 0.000 4.277 7.092) 8.282 4.039 ( 0.000 8.585 -15.656) 17.855 4.039 ( 0.000 8.585 15.656) 17.855 4.077 ( -0.000 -6.459 -9.464) 11.458 4.077 ( -0.000 -6.459 9.464) 11.458 5.256 ( 0.000 1.646 -10.483) 10.612 5.256 ( 0.000 1.646 10.483) 10.612 5.328 ( -0.000 -1.867 -15.257) 15.370 5.328 ( -0.000 -1.867 15.257) 15.370 5.983 ( -0.000 -0.738 -12.352) 12.374 5.983 ( -0.000 -0.738 12.352) 12.374 6.820 ( -0.000 -4.123 -8.655) 9.586 6.820 ( -0.000 -4.123 8.655) 9.586 7.701 ( 0.000 0.771 -3.625) 3.706 7.701 ( 0.000 0.771 3.625) 3.706 7.821 ( 0.000 2.784 -1.906) 3.373 7.821 ( 0.000 2.784 1.906) 3.373 8.761 ( -0.000 -11.274 -15.638) 19.279 8.761 ( -0.000 -11.274 15.638) 19.279 9.533 ( 0.000 1.288 -12.448) 12.515 9.533 ( 0.000 1.288 12.448) 12.515 12.232 ( -0.000 -4.566 -23.475) 23.915 12.232 ( -0.000 -4.566 23.475) 23.915 13.147 ( 0.000 13.425 -12.075) 18.056 13.147 ( 0.000 13.425 12.075) 18.056 14.041 ( -0.000 -0.292 -19.924) 19.926 14.041 ( -0.000 -0.292 19.924) 19.926 19.973 ( -0.000 -2.142 -26.047) 26.135 19.973 ( -0.000 -2.142 26.047) 26.135 27.172 ( -0.000 -2.591 -10.051) 10.380 27.172 ( -0.000 -2.591 10.051) 10.380 27.976 ( -0.000 -0.240 -7.131) 7.135 27.976 ( -0.000 -0.240 7.131) 7.135 30.277 ( 0.000 5.940 -13.222) 14.495 30.277 ( 0.000 5.940 13.222) 14.495 ======================= Grid point 495 (149/150) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 0.513 -0.000 -18.585) 18.592 3.494 ( 0.513 -0.000 18.585) 18.592 4.024 ( 10.589 -0.000 -11.822) 15.871 4.024 ( 10.589 -0.000 11.822) 15.871 4.387 ( -9.750 0.000 -8.799) 13.134 4.387 ( -9.750 0.000 8.799) 13.134 5.103 ( 2.504 -0.000 -1.507) 2.922 5.103 ( 2.504 -0.000 1.507) 2.922 5.449 ( -3.372 0.000 -10.817) 11.330 5.449 ( -3.372 0.000 10.817) 11.330 6.129 ( -0.013 0.000 -7.820) 7.820 6.129 ( -0.013 0.000 7.820) 7.820 6.759 ( 2.258 -0.000 -7.505) 7.838 6.759 ( 2.258 -0.000 7.505) 7.838 7.339 ( 2.455 -0.000 -9.031) 9.358 7.339 ( 2.455 -0.000 9.031) 9.358 7.748 ( -1.672 0.000 -1.683) 2.372 7.748 ( -1.672 0.000 1.683) 2.372 8.500 ( -3.112 0.000 -6.854) 7.527 8.500 ( -3.112 0.000 6.854) 7.527 9.722 ( -1.866 0.000 -13.261) 13.391 9.722 ( -1.866 0.000 13.261) 13.391 12.089 ( -1.090 0.000 -24.208) 24.232 12.089 ( -1.090 0.000 24.208) 24.232 13.671 ( 1.608 -0.000 -16.025) 16.105 13.671 ( 1.608 -0.000 16.025) 16.105 13.993 ( 0.236 -0.000 -19.188) 19.190 13.993 ( 0.236 -0.000 19.188) 19.190 19.873 ( -0.429 0.000 -25.795) 25.799 19.873 ( -0.429 0.000 25.795) 25.799 27.100 ( -1.606 0.000 -4.395) 4.679 27.100 ( -1.606 0.000 4.395) 4.679 27.973 ( 0.688 -0.000 -9.714) 9.738 27.973 ( 0.688 -0.000 9.714) 9.738 30.455 ( 2.565 -0.000 -17.990) 18.172 30.455 ( 2.565 -0.000 17.990) 18.172 ======================= Grid point 497 (150/150) ======================= q-point: (-0.44 -0.56 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( -0.000 -0.664 -23.657) 23.666 3.506 ( -0.000 -0.664 23.657) 23.666 4.053 ( 0.000 3.679 -19.159) 19.510 4.053 ( 0.000 3.679 19.160) 19.510 4.288 ( 0.000 3.507 -10.188) 10.775 4.288 ( 0.000 3.507 10.188) 10.775 5.168 ( -0.000 -5.085 -7.069) 8.708 5.168 ( -0.000 -5.085 7.069) 8.708 5.390 ( 0.000 4.090 -12.945) 13.576 5.390 ( 0.000 4.090 12.945) 13.576 6.080 ( 0.000 4.495 -7.921) 9.108 6.080 ( 0.000 4.495 7.921) 9.108 6.766 ( 0.000 0.418 -7.238) 7.250 6.766 ( 0.000 0.418 7.238) 7.250 7.454 ( -0.000 -9.700 -8.119) 12.649 7.454 ( -0.000 -9.700 8.119) 12.649 7.770 ( -0.000 -2.911 -2.370) 3.754 7.770 ( -0.000 -2.911 2.370) 3.754 8.504 ( -0.000 -2.555 -8.671) 9.040 8.504 ( -0.000 -2.555 8.671) 9.040 9.675 ( 0.000 3.796 -13.560) 14.082 9.675 ( 0.000 3.796 13.560) 14.082 12.102 ( -0.000 -2.096 -24.391) 24.481 12.102 ( -0.000 -2.096 24.391) 24.481 13.602 ( 0.000 8.243 -15.631) 17.671 13.602 ( 0.000 8.243 15.631) 17.671 14.005 ( -0.000 -1.029 -19.341) 19.368 14.005 ( -0.000 -1.029 19.341) 19.368 19.888 ( -0.000 -1.788 -25.859) 25.921 19.888 ( -0.000 -1.788 25.859) 25.921 27.100 ( -0.000 -1.039 -6.152) 6.239 27.100 ( -0.000 -1.039 6.152) 6.239 27.977 ( 0.000 0.034 -9.589) 9.589 27.977 ( 0.000 0.034 9.589) 9.589 30.444 ( 0.000 2.646 -17.629) 17.826 30.444 ( 0.000 2.646 17.629) 17.826 =================== 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 3/29160 10.0 6913.253 2988.218 3487.359 0.000 0.000 -0.000 3/29160 20.0 1110.651 885.138 1076.255 0.000 0.000 -0.000 3/29160 30.0 313.454 272.066 340.928 0.000 0.000 -0.000 3/29160 40.0 130.453 119.636 151.431 0.000 0.000 -0.000 3/29160 50.0 69.454 66.470 84.702 0.000 0.000 -0.000 3/29160 60.0 43.608 43.056 55.096 0.000 0.000 -0.000 3/29160 70.0 30.594 30.878 39.631 0.000 0.000 -0.000 3/29160 80.0 23.151 23.730 30.543 0.000 0.000 -0.000 3/29160 90.0 18.472 19.141 24.721 0.000 0.000 -0.000 3/29160 100.0 15.313 15.991 20.742 0.000 0.000 -0.000 3/29160 110.0 13.058 13.715 17.884 0.000 0.000 -0.000 3/29160 120.0 11.379 12.002 15.752 0.000 0.000 -0.000 3/29160 130.0 10.084 10.672 14.109 0.000 0.000 -0.000 3/29160 140.0 9.058 9.611 12.812 0.000 0.000 -0.000 3/29160 150.0 8.226 8.747 11.763 0.000 0.000 -0.000 3/29160 160.0 7.539 8.030 10.901 0.000 0.000 -0.000 3/29160 170.0 6.962 7.425 10.179 0.000 0.000 -0.000 3/29160 180.0 6.471 6.910 9.567 0.000 0.000 -0.000 3/29160 190.0 6.050 6.464 9.040 0.000 0.000 -0.000 3/29160 200.0 5.683 6.076 8.582 0.000 0.000 -0.000 3/29160 210.0 5.362 5.734 8.180 0.000 0.000 -0.000 3/29160 220.0 5.078 5.432 7.823 0.000 0.000 -0.000 3/29160 230.0 4.826 5.162 7.504 0.000 0.000 -0.000 3/29160 240.0 4.600 4.919 7.216 0.000 0.000 -0.000 3/29160 250.0 4.397 4.700 6.955 0.000 0.000 -0.000 3/29160 260.0 4.213 4.502 6.716 0.000 0.000 -0.000 3/29160 270.0 4.046 4.320 6.497 0.000 0.000 -0.000 3/29160 280.0 3.893 4.154 6.295 0.000 0.000 -0.000 3/29160 290.0 3.753 4.002 6.108 0.000 0.000 -0.000 3/29160 300.0 3.624 3.861 5.933 0.000 0.000 -0.000 3/29160 310.0 3.505 3.731 5.770 0.000 0.000 -0.000 3/29160 320.0 3.395 3.610 5.617 0.000 0.000 -0.000 3/29160 330.0 3.292 3.497 5.473 0.000 0.000 -0.000 3/29160 340.0 3.196 3.392 5.338 0.000 0.000 -0.000 3/29160 350.0 3.107 3.293 5.210 0.000 0.000 -0.000 3/29160 360.0 3.023 3.201 5.088 0.000 0.000 -0.000 3/29160 370.0 2.944 3.114 4.972 0.000 0.000 -0.000 3/29160 380.0 2.869 3.032 4.863 0.000 0.000 -0.000 3/29160 390.0 2.799 2.954 4.758 0.000 0.000 -0.000 3/29160 400.0 2.732 2.881 4.658 0.000 0.000 -0.000 3/29160 410.0 2.669 2.811 4.562 0.000 0.000 -0.000 3/29160 420.0 2.609 2.745 4.470 0.000 0.000 -0.000 3/29160 430.0 2.552 2.682 4.382 0.000 0.000 -0.000 3/29160 440.0 2.498 2.622 4.298 0.000 0.000 -0.000 3/29160 450.0 2.446 2.565 4.217 0.000 0.000 -0.000 3/29160 460.0 2.396 2.511 4.139 0.000 0.000 -0.000 3/29160 470.0 2.349 2.459 4.064 0.000 0.000 -0.000 3/29160 480.0 2.303 2.409 3.991 0.000 0.000 -0.000 3/29160 490.0 2.260 2.361 3.922 0.000 0.000 -0.000 3/29160 500.0 2.218 2.315 3.854 0.000 0.000 -0.000 3/29160 510.0 2.178 2.271 3.789 0.000 0.000 -0.000 3/29160 520.0 2.139 2.229 3.726 0.000 0.000 -0.000 3/29160 530.0 2.102 2.188 3.665 0.000 0.000 -0.000 3/29160 540.0 2.066 2.149 3.606 0.000 0.000 -0.000 3/29160 550.0 2.031 2.111 3.549 0.000 0.000 -0.000 3/29160 560.0 1.997 2.074 3.493 0.000 0.000 -0.000 3/29160 570.0 1.965 2.039 3.440 0.000 0.000 -0.000 3/29160 580.0 1.934 2.005 3.388 0.000 0.000 -0.000 3/29160 590.0 1.903 1.972 3.337 0.000 0.000 -0.000 3/29160 600.0 1.874 1.941 3.288 0.000 0.000 -0.000 3/29160 610.0 1.846 1.910 3.240 0.000 0.000 -0.000 3/29160 620.0 1.818 1.880 3.194 0.000 0.000 -0.000 3/29160 630.0 1.791 1.851 3.149 0.000 0.000 -0.000 3/29160 640.0 1.765 1.823 3.105 0.000 0.000 -0.000 3/29160 650.0 1.740 1.796 3.062 0.000 0.000 -0.000 3/29160 660.0 1.716 1.770 3.021 0.000 0.000 -0.000 3/29160 670.0 1.692 1.744 2.980 0.000 0.000 -0.000 3/29160 680.0 1.669 1.720 2.941 0.000 0.000 -0.000 3/29160 690.0 1.646 1.695 2.902 0.000 0.000 -0.000 3/29160 700.0 1.624 1.672 2.865 0.000 0.000 -0.000 3/29160 710.0 1.603 1.649 2.828 0.000 0.000 -0.000 3/29160 720.0 1.582 1.627 2.793 0.000 0.000 -0.000 3/29160 730.0 1.562 1.606 2.758 0.000 0.000 -0.000 3/29160 740.0 1.542 1.585 2.724 0.000 0.000 -0.000 3/29160 750.0 1.523 1.564 2.691 0.000 0.000 -0.000 3/29160 760.0 1.505 1.544 2.659 0.000 0.000 -0.000 3/29160 770.0 1.486 1.525 2.627 0.000 0.000 -0.000 3/29160 780.0 1.468 1.506 2.596 0.000 0.000 -0.000 3/29160 790.0 1.451 1.487 2.566 0.000 0.000 -0.000 3/29160 800.0 1.434 1.469 2.536 0.000 0.000 -0.000 3/29160 810.0 1.417 1.452 2.508 0.000 0.000 -0.000 3/29160 820.0 1.401 1.435 2.479 0.000 0.000 -0.000 3/29160 830.0 1.385 1.418 2.452 0.000 0.000 -0.000 3/29160 840.0 1.370 1.401 2.425 0.000 0.000 -0.000 3/29160 850.0 1.355 1.385 2.398 0.000 0.000 -0.000 3/29160 860.0 1.340 1.370 2.372 0.000 0.000 -0.000 3/29160 870.0 1.325 1.354 2.347 0.000 0.000 -0.000 3/29160 880.0 1.311 1.340 2.322 0.000 0.000 -0.000 3/29160 890.0 1.297 1.325 2.298 0.000 0.000 -0.000 3/29160 900.0 1.283 1.311 2.274 0.000 0.000 -0.000 3/29160 910.0 1.270 1.297 2.251 0.000 0.000 -0.000 3/29160 920.0 1.257 1.283 2.228 0.000 0.000 -0.000 3/29160 930.0 1.244 1.269 2.206 0.000 0.000 -0.000 3/29160 940.0 1.232 1.256 2.184 0.000 0.000 -0.000 3/29160 950.0 1.219 1.243 2.162 0.000 0.000 -0.000 3/29160 960.0 1.207 1.231 2.141 0.000 0.000 -0.000 3/29160 970.0 1.196 1.218 2.120 0.000 0.000 -0.000 3/29160 980.0 1.184 1.206 2.100 0.000 0.000 -0.000 3/29160 990.0 1.173 1.194 2.080 0.000 0.000 -0.000 3/29160 1000.0 1.161 1.183 2.060 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m9910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:18:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|